data_nef_c15090_2ma8 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 22 ALA start . . 2 A 23 GLU middle . . 3 A 24 GLN middle . . 4 A 25 VAL middle . . 5 A 26 SER middle . . 6 A 27 LYS middle . . 7 A 28 GLN middle . . 8 A 29 GLU middle . . 9 A 30 ILE middle . . 10 A 31 SER middle . . 11 A 32 HIS middle . . 12 A 33 PHE middle . . 13 A 34 LYS middle . . 14 A 35 LEU middle . . 15 A 36 VAL middle . . 16 A 37 LYS middle . . 17 A 38 VAL middle . . 18 A 39 GLY middle . false 19 A 40 THR middle . . 20 A 41 ILE middle . . 21 A 42 ASN middle . . 22 A 43 VAL middle . . 23 A 44 SER middle . . 24 A 45 GLN middle . . 25 A 46 SER middle . . 26 A 47 GLY middle . false 27 A 48 GLY middle . false 28 A 49 GLN middle . . 29 A 50 ILE middle . . 30 A 51 SER middle . . 31 A 52 SER middle . . 32 A 53 PRO middle . false 33 A 54 SER middle . . 34 A 55 ASP middle . . 35 A 56 LEU middle . . 36 A 57 ARG middle . . 37 A 58 GLU middle . . 38 A 59 LYS middle . . 39 A 60 LEU middle . . 40 A 61 SER middle . . 41 A 62 GLU middle . . 42 A 63 LEU middle . . 43 A 64 ALA middle . . 44 A 65 ASP middle . . 45 A 66 ALA middle . . 46 A 67 LYS middle . . 47 A 68 GLY middle . false 48 A 69 GLY middle . false 49 A 70 LYS middle . . 50 A 71 TYR middle . . 51 A 72 TYR middle . . 52 A 73 HIS middle . . 53 A 74 ILE middle . . 54 A 75 ILE middle . . 55 A 76 ALA middle . . 56 A 77 ALA middle . . 57 A 78 ARG middle . . 58 A 79 GLU middle . . 59 A 80 HIS middle . . 60 A 81 GLY middle . false 61 A 82 PRO middle . false 62 A 83 ASN middle . . 63 A 84 PHE middle . . 64 A 85 GLU middle . . 65 A 86 ALA middle . . 66 A 87 VAL middle . . 67 A 88 ALA middle . . 68 A 89 GLU middle . . 69 A 90 VAL middle . . 70 A 91 TYR middle . . 71 A 92 ASN middle . . 72 A 93 ASP middle . . 73 A 94 ALA middle . . 74 A 95 THR middle . . 75 A 96 LYS middle . . 76 A 97 LEU middle . . 77 A 98 GLU middle . . 78 A 99 HIS middle . . 79 A 100 HIS middle . . 80 A 101 HIS middle . . 81 A 102 HIS middle . . 82 A 103 HIS middle . . 83 A 104 HIS end . . 84 B 22 ALA start . . 85 B 23 GLU middle . . 86 B 24 GLN middle . . 87 B 25 VAL middle . . 88 B 26 SER middle . . 89 B 27 LYS middle . . 90 B 28 GLN middle . . 91 B 29 GLU middle . . 92 B 30 ILE middle . . 93 B 31 SER middle . . 94 B 32 HIS middle . . 95 B 33 PHE middle . . 96 B 34 LYS middle . . 97 B 35 LEU middle . . 98 B 36 VAL middle . . 99 B 37 LYS middle . . 100 B 38 VAL middle . . 101 B 39 GLY middle . false 102 B 40 THR middle . . 103 B 41 ILE middle . . 104 B 42 ASN middle . . 105 B 43 VAL middle . . 106 B 44 SER middle . . 107 B 45 GLN middle . . 108 B 46 SER middle . . 109 B 47 GLY middle . false 110 B 48 GLY middle . false 111 B 49 GLN middle . . 112 B 50 ILE middle . . 113 B 51 SER middle . . 114 B 52 SER middle . . 115 B 53 PRO middle . false 116 B 54 SER middle . . 117 B 55 ASP middle . . 118 B 56 LEU middle . . 119 B 57 ARG middle . . 120 B 58 GLU middle . . 121 B 59 LYS middle . . 122 B 60 LEU middle . . 123 B 61 SER middle . . 124 B 62 GLU middle . . 125 B 63 LEU middle . . 126 B 64 ALA middle . . 127 B 65 ASP middle . . 128 B 66 ALA middle . . 129 B 67 LYS middle . . 130 B 68 GLY middle . false 131 B 69 GLY middle . false 132 B 70 LYS middle . . 133 B 71 TYR middle . . 134 B 72 TYR middle . . 135 B 73 HIS middle . . 136 B 74 ILE middle . . 137 B 75 ILE middle . . 138 B 76 ALA middle . . 139 B 77 ALA middle . . 140 B 78 ARG middle . . 141 B 79 GLU middle . . 142 B 80 HIS middle . . 143 B 81 GLY middle . false 144 B 82 PRO middle . false 145 B 83 ASN middle . . 146 B 84 PHE middle . . 147 B 85 GLU middle . . 148 B 86 ALA middle . . 149 B 87 VAL middle . . 150 B 88 ALA middle . . 151 B 89 GLU middle . . 152 B 90 VAL middle . . 153 B 91 TYR middle . . 154 B 92 ASN middle . . 155 B 93 ASP middle . . 156 B 94 ALA middle . . 157 B 95 THR middle . . 158 B 96 LYS middle . . 159 B 97 LEU middle . . 160 B 98 GLU middle . . 161 B 99 HIS middle . . 162 B 100 HIS middle . . 163 B 101 HIS middle . . 164 B 102 HIS middle . . 165 B 103 HIS middle . . 166 B 104 HIS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 22 ALA HA H 1 4.147 0.020 A 22 ALA HB% H 1 1.474 0.020 A 22 ALA C C 13 173.323 0.400 A 22 ALA CA C 13 51.731 0.400 A 22 ALA CB C 13 22.186 0.400 A 23 GLU H H 1 7.791 0.020 A 23 GLU HA H 1 4.971 0.020 A 23 GLU HBy H 1 2.168 0.020 A 23 GLU HBx H 1 1.923 0.020 A 23 GLU HGy H 1 2.284 0.020 A 23 GLU HGx H 1 2.177 0.020 A 23 GLU C C 13 174.368 0.400 A 23 GLU CA C 13 53.758 0.400 A 23 GLU CB C 13 33.794 0.400 A 23 GLU CG C 13 35.381 0.400 A 23 GLU N N 15 115.861 0.400 A 24 GLN H H 1 8.966 0.020 A 24 GLN HA H 1 3.903 0.020 A 24 GLN HBy H 1 1.797 0.020 A 24 GLN HBx H 1 1.689 0.020 A 24 GLN HE2y H 1 8.906 0.020 A 24 GLN HE2x H 1 7.475 0.020 A 24 GLN HGy H 1 2.387 0.020 A 24 GLN HGx H 1 2.143 0.020 A 24 GLN C C 13 175.600 0.400 A 24 GLN CA C 13 55.728 0.400 A 24 GLN CB C 13 28.096 0.400 A 24 GLN CG C 13 36.589 0.400 A 24 GLN N N 15 122.624 0.400 A 24 GLN NE2 N 15 113.683 0.400 A 25 VAL H H 1 8.567 0.020 A 25 VAL HA H 1 4.871 0.020 A 25 VAL HB H 1 1.810 0.020 A 25 VAL HG1% H 1 0.472 0.020 A 25 VAL HG2% H 1 0.350 0.020 A 25 VAL C C 13 174.607 0.400 A 25 VAL CA C 13 58.649 0.400 A 25 VAL CB C 13 36.488 0.400 A 25 VAL CG1 C 13 22.399 0.400 A 25 VAL CG2 C 13 17.856 0.400 A 25 VAL N N 15 116.603 0.400 A 26 SER H H 1 8.947 0.020 A 26 SER HA H 1 4.773 0.020 A 26 SER HB2 H 1 4.558 0.020 A 26 SER HB3 H 1 4.558 0.020 A 26 SER C C 13 176.011 0.400 A 26 SER CA C 13 57.462 0.400 A 26 SER CB C 13 67.233 0.400 A 26 SER N N 15 118.455 0.400 A 27 LYS H H 1 9.440 0.020 A 27 LYS HA H 1 3.631 0.020 A 27 LYS HBy H 1 1.846 0.020 A 27 LYS HBx H 1 1.791 0.020 A 27 LYS HDy H 1 1.726 0.020 A 27 LYS HDx H 1 1.675 0.020 A 27 LYS HE2 H 1 3.054 0.020 A 27 LYS HE3 H 1 3.054 0.020 A 27 LYS HGy H 1 1.488 0.020 A 27 LYS HGx H 1 1.391 0.020 A 27 LYS C C 13 178.939 0.400 A 27 LYS CA C 13 59.178 0.400 A 27 LYS CB C 13 31.963 0.400 A 27 LYS CD C 13 29.019 0.400 A 27 LYS CE C 13 41.978 0.400 A 27 LYS CG C 13 25.104 0.400 A 27 LYS N N 15 121.294 0.400 A 28 GLN H H 1 8.985 0.020 A 28 GLN HA H 1 4.035 0.020 A 28 GLN HBy H 1 2.072 0.020 A 28 GLN HBx H 1 1.981 0.020 A 28 GLN HE2y H 1 7.283 0.020 A 28 GLN HE2x H 1 6.753 0.020 A 28 GLN HG2 H 1 2.506 0.020 A 28 GLN HG3 H 1 2.506 0.020 A 28 GLN C C 13 179.504 0.400 A 28 GLN CA C 13 60.158 0.400 A 28 GLN CB C 13 26.917 0.400 A 28 GLN CG C 13 34.915 0.400 A 28 GLN N N 15 118.166 0.400 A 28 GLN NE2 N 15 109.865 0.400 A 29 GLU H H 1 7.944 0.020 A 29 GLU HA H 1 3.845 0.020 A 29 GLU HBy H 1 2.423 0.020 A 29 GLU HBx H 1 1.914 0.020 A 29 GLU HGy H 1 2.153 0.020 A 29 GLU HGx H 1 2.036 0.020 A 29 GLU C C 13 177.980 0.400 A 29 GLU CA C 13 60.094 0.400 A 29 GLU CB C 13 32.036 0.400 A 29 GLU CG C 13 40.103 0.400 A 29 GLU N N 15 119.454 0.400 A 30 ILE H H 1 7.990 0.020 A 30 ILE HA H 1 3.024 0.020 A 30 ILE HB H 1 1.549 0.020 A 30 ILE HD1% H 1 -0.133 0.020 A 30 ILE HG1x H 1 -0.595 0.020 A 30 ILE HG1y H 1 1.044 0.020 A 30 ILE HG2% H 1 0.591 0.020 A 30 ILE C C 13 178.545 0.400 A 30 ILE CA C 13 65.809 0.400 A 30 ILE CB C 13 38.154 0.400 A 30 ILE CD1 C 13 13.702 0.400 A 30 ILE CG1 C 13 29.473 0.400 A 30 ILE CG2 C 13 17.413 0.400 A 30 ILE N N 15 120.745 0.400 A 31 SER H H 1 7.775 0.020 A 31 SER HA H 1 4.257 0.020 A 31 SER HB2 H 1 3.907 0.020 A 31 SER HB3 H 1 3.907 0.020 A 31 SER C C 13 177.090 0.400 A 31 SER CA C 13 60.672 0.400 A 31 SER CB C 13 62.837 0.400 A 31 SER N N 15 111.243 0.400 A 32 HIS H H 1 8.311 0.020 A 32 HIS HA H 1 4.107 0.020 A 32 HIS HB2 H 1 3.063 0.020 A 32 HIS HB3 H 1 2.272 0.020 A 32 HIS HE1 H 1 7.773 0.020 A 32 HIS C C 13 176.679 0.400 A 32 HIS CA C 13 60.415 0.400 A 32 HIS CB C 13 30.769 0.400 A 32 HIS CE1 C 13 137.627 0.400 A 32 HIS N N 15 119.977 0.400 A 33 PHE H H 1 8.270 0.020 A 33 PHE HA H 1 4.224 0.020 A 33 PHE HBx H 1 2.599 0.020 A 33 PHE HBy H 1 3.436 0.020 A 33 PHE HD1 H 1 7.411 0.020 A 33 PHE HD2 H 1 7.411 0.020 A 33 PHE HE1 H 1 6.983 0.020 A 33 PHE HE2 H 1 6.983 0.020 A 33 PHE HZ H 1 6.636 0.020 A 33 PHE C C 13 173.957 0.400 A 33 PHE CA C 13 58.467 0.400 A 33 PHE CB C 13 37.406 0.400 A 33 PHE CD1 C 13 131.848 0.400 A 33 PHE CE1 C 13 129.901 0.400 A 33 PHE CZ C 13 129.030 0.400 A 33 PHE N N 15 111.333 0.400 A 34 LYS H H 1 7.410 0.020 A 34 LYS HA H 1 3.995 0.020 A 34 LYS HBy H 1 2.122 0.020 A 34 LYS HBx H 1 1.773 0.020 A 34 LYS HDy H 1 1.705 0.020 A 34 LYS HDx H 1 1.589 0.020 A 34 LYS HE2 H 1 2.975 0.020 A 34 LYS HE3 H 1 2.975 0.020 A 34 LYS HG2 H 1 1.268 0.020 A 34 LYS HG3 H 1 1.268 0.020 A 34 LYS C C 13 175.498 0.400 A 34 LYS CA C 13 56.562 0.400 A 34 LYS CB C 13 28.218 0.400 A 34 LYS CD C 13 29.103 0.400 A 34 LYS CE C 13 42.356 0.400 A 34 LYS CG C 13 24.506 0.400 A 34 LYS N N 15 117.408 0.400 A 35 LEU H H 1 7.510 0.020 A 35 LEU HA H 1 4.408 0.020 A 35 LEU HB2 H 1 1.437 0.020 A 35 LEU HB3 H 1 1.623 0.020 A 35 LEU HD1% H 1 0.144 0.020 A 35 LEU HD2% H 1 0.773 0.020 A 35 LEU HG H 1 1.617 0.020 A 35 LEU C C 13 176.867 0.400 A 35 LEU CA C 13 55.044 0.400 A 35 LEU CB C 13 41.631 0.400 A 35 LEU CD1 C 13 25.097 0.400 A 35 LEU CD2 C 13 22.855 0.400 A 35 LEU CG C 13 26.764 0.400 A 35 LEU N N 15 113.584 0.400 A 36 VAL H H 1 8.628 0.020 A 36 VAL HA H 1 4.356 0.020 A 36 VAL HB H 1 1.895 0.020 A 36 VAL HG1% H 1 0.945 0.020 A 36 VAL HG2% H 1 1.049 0.020 A 36 VAL C C 13 175.258 0.400 A 36 VAL CA C 13 61.100 0.400 A 36 VAL CB C 13 34.541 0.400 A 36 VAL CG1 C 13 20.928 0.400 A 36 VAL CG2 C 13 21.076 0.400 A 36 VAL N N 15 119.424 0.400 A 37 LYS H H 1 8.848 0.020 A 37 LYS HA H 1 3.625 0.020 A 37 LYS HBy H 1 1.701 0.020 A 37 LYS HBx H 1 1.432 0.020 A 37 LYS HD2 H 1 1.541 0.020 A 37 LYS HD3 H 1 1.541 0.020 A 37 LYS HEy H 1 2.862 0.020 A 37 LYS HEx H 1 2.750 0.020 A 37 LYS HGx H 1 0.952 0.020 A 37 LYS HGy H 1 1.071 0.020 A 37 LYS C C 13 177.210 0.400 A 37 LYS CA C 13 57.012 0.400 A 37 LYS CB C 13 32.454 0.400 A 37 LYS CD C 13 29.555 0.400 A 37 LYS CE C 13 41.625 0.400 A 37 LYS CG C 13 25.305 0.400 A 37 LYS N N 15 129.712 0.400 A 38 VAL H H 1 9.103 0.020 A 38 VAL HA H 1 4.368 0.020 A 38 VAL HB H 1 1.972 0.020 A 38 VAL HG1% H 1 0.843 0.020 A 38 VAL HG2% H 1 0.606 0.020 A 38 VAL C C 13 175.789 0.400 A 38 VAL CA C 13 61.378 0.400 A 38 VAL CB C 13 33.433 0.400 A 38 VAL CG1 C 13 21.127 0.400 A 38 VAL CG2 C 13 19.946 0.400 A 38 VAL N N 15 122.048 0.400 A 39 GLY H H 1 7.105 0.020 A 39 GLY HA2 H 1 4.125 0.020 A 39 GLY HA3 H 1 4.125 0.020 A 39 GLY C C 13 171.029 0.400 A 39 GLY CA C 13 45.389 0.400 A 39 GLY N N 15 105.841 0.400 A 40 THR H H 1 8.622 0.020 A 40 THR HA H 1 5.151 0.020 A 40 THR HB H 1 3.895 0.020 A 40 THR HG2% H 1 1.153 0.020 A 40 THR C C 13 173.083 0.400 A 40 THR CA C 13 61.849 0.400 A 40 THR CB C 13 71.697 0.400 A 40 THR CG2 C 13 21.927 0.400 A 40 THR N N 15 116.102 0.400 A 41 ILE H H 1 9.232 0.020 A 41 ILE HA H 1 4.741 0.020 A 41 ILE HB H 1 1.739 0.020 A 41 ILE HD1% H 1 0.521 0.020 A 41 ILE HG1y H 1 1.234 0.020 A 41 ILE HG1x H 1 0.877 0.020 A 41 ILE HG2% H 1 0.678 0.020 A 41 ILE C C 13 173.220 0.400 A 41 ILE CA C 13 59.495 0.400 A 41 ILE CB C 13 41.984 0.400 A 41 ILE CD1 C 13 15.251 0.400 A 41 ILE CG1 C 13 25.064 0.400 A 41 ILE CG2 C 13 18.609 0.400 A 41 ILE N N 15 117.513 0.400 A 42 ASN H H 1 8.331 0.020 A 42 ASN HA H 1 5.382 0.020 A 42 ASN HB2 H 1 2.579 0.020 A 42 ASN HB3 H 1 2.579 0.020 A 42 ASN HD21 H 1 7.376 0.020 A 42 ASN HD22 H 1 6.751 0.020 A 42 ASN C C 13 172.940 0.400 A 42 ASN CA C 13 52.560 0.400 A 42 ASN CB C 13 42.079 0.400 A 42 ASN N N 15 118.373 0.400 A 42 ASN ND2 N 15 113.276 0.400 A 43 VAL H H 1 8.774 0.020 A 43 VAL HA H 1 4.329 0.020 A 43 VAL HB H 1 1.770 0.020 A 43 VAL HG1% H 1 0.821 0.020 A 43 VAL HG2% H 1 0.776 0.020 A 43 VAL C C 13 174.333 0.400 A 43 VAL CA C 13 60.288 0.400 A 43 VAL CB C 13 35.489 0.400 A 43 VAL CG1 C 13 20.734 0.400 A 43 VAL CG2 C 13 21.921 0.400 A 43 VAL N N 15 119.201 0.400 A 44 SER H H 1 8.529 0.020 A 44 SER HA H 1 5.277 0.020 A 44 SER HB2 H 1 3.681 0.020 A 44 SER HB3 H 1 3.681 0.020 A 44 SER C C 13 173.939 0.400 A 44 SER CA C 13 56.826 0.400 A 44 SER CB C 13 63.397 0.400 A 44 SER N N 15 121.506 0.400 A 45 GLN H H 1 8.949 0.020 A 45 GLN HA H 1 4.793 0.020 A 45 GLN HBy H 1 2.214 0.020 A 45 GLN HBx H 1 1.902 0.020 A 45 GLN HE21 H 1 7.525 0.020 A 45 GLN HE22 H 1 6.820 0.020 A 45 GLN HG2 H 1 2.279 0.020 A 45 GLN HG3 H 1 2.279 0.020 A 45 GLN C C 13 174.767 0.400 A 45 GLN CA C 13 54.187 0.400 A 45 GLN CB C 13 33.127 0.400 A 45 GLN CG C 13 34.014 0.400 A 45 GLN N N 15 124.718 0.400 A 45 GLN NE2 N 15 110.992 0.400 A 46 SER H H 1 8.775 0.020 A 46 SER HA H 1 4.802 0.020 A 46 SER HBy H 1 3.974 0.020 A 46 SER HBx H 1 3.921 0.020 A 46 SER C C 13 176.336 0.400 A 46 SER CA C 13 58.727 0.400 A 46 SER CB C 13 63.876 0.400 A 46 SER N N 15 119.327 0.400 A 47 GLY H H 1 8.830 0.020 A 47 GLY HAy H 1 4.059 0.020 A 47 GLY HAx H 1 3.889 0.020 A 47 GLY C C 13 175.669 0.400 A 47 GLY CA C 13 46.902 0.400 A 47 GLY N N 15 111.250 0.400 A 48 GLY H H 1 8.628 0.020 A 48 GLY HA2 H 1 3.913 0.020 A 48 GLY HA3 H 1 3.913 0.020 A 48 GLY C C 13 174.950 0.400 A 48 GLY CA C 13 45.656 0.400 A 48 GLY N N 15 108.815 0.400 A 49 GLN H H 1 7.795 0.020 A 49 GLN HA H 1 4.230 0.020 A 49 GLN HB2 H 1 1.996 0.020 A 49 GLN HB3 H 1 2.172 0.020 A 49 GLN HE21 H 1 7.528 0.020 A 49 GLN HE22 H 1 6.853 0.020 A 49 GLN HG2 H 1 2.369 0.020 A 49 GLN HG3 H 1 2.369 0.020 A 49 GLN C C 13 176.028 0.400 A 49 GLN CA C 13 56.648 0.400 A 49 GLN CB C 13 29.557 0.400 A 49 GLN CG C 13 34.271 0.400 A 49 GLN N N 15 117.285 0.400 A 49 GLN NE2 N 15 112.017 0.400 A 50 ILE H H 1 7.876 0.020 A 50 ILE HA H 1 4.243 0.020 A 50 ILE HB H 1 1.725 0.020 A 50 ILE HD1% H 1 0.612 0.020 A 50 ILE HG1y H 1 1.270 0.020 A 50 ILE HG1x H 1 1.046 0.020 A 50 ILE HG2% H 1 0.538 0.020 A 50 ILE C C 13 174.744 0.400 A 50 ILE CA C 13 59.387 0.400 A 50 ILE CB C 13 36.481 0.400 A 50 ILE CD1 C 13 11.702 0.400 A 50 ILE CG1 C 13 26.651 0.400 A 50 ILE CG2 C 13 17.925 0.400 A 50 ILE N N 15 119.505 0.400 A 51 SER H H 1 9.429 0.020 A 51 SER HA H 1 4.735 0.020 A 51 SER HBy H 1 3.932 0.020 A 51 SER HBx H 1 3.877 0.020 A 51 SER C C 13 173.426 0.400 A 51 SER CA C 13 58.767 0.400 A 51 SER CB C 13 64.887 0.400 A 51 SER N N 15 121.904 0.400 A 52 SER H H 1 7.802 0.020 A 52 SER HA H 1 4.181 0.020 A 52 SER HBy H 1 4.014 0.020 A 52 SER HBx H 1 3.708 0.020 A 52 SER CA C 13 55.938 0.400 A 52 SER CB C 13 64.219 0.400 A 52 SER N N 15 116.378 0.400 A 53 PRO HA H 1 3.795 0.020 A 53 PRO HB2 H 1 1.435 0.020 A 53 PRO HB3 H 1 2.367 0.020 A 53 PRO HDy H 1 3.515 0.020 A 53 PRO HDx H 1 2.538 0.020 A 53 PRO HGy H 1 1.092 0.020 A 53 PRO HGx H 1 1.025 0.020 A 53 PRO C C 13 178.785 0.400 A 53 PRO CA C 13 64.790 0.400 A 53 PRO CB C 13 31.779 0.400 A 53 PRO CD C 13 49.910 0.400 A 53 PRO CG C 13 27.339 0.400 A 54 SER H H 1 7.817 0.020 A 54 SER HA H 1 4.287 0.020 A 54 SER HBy H 1 3.944 0.020 A 54 SER HBx H 1 3.814 0.020 A 54 SER C C 13 176.114 0.400 A 54 SER CA C 13 61.968 0.400 A 54 SER CB C 13 62.196 0.400 A 54 SER N N 15 112.636 0.400 A 55 ASP H H 1 7.499 0.020 A 55 ASP HA H 1 4.384 0.020 A 55 ASP HBy H 1 2.926 0.020 A 55 ASP HBx H 1 2.831 0.020 A 55 ASP C C 13 178.528 0.400 A 55 ASP CA C 13 56.991 0.400 A 55 ASP CB C 13 41.851 0.400 A 55 ASP N N 15 121.885 0.400 A 56 LEU H H 1 7.189 0.020 A 56 LEU HA H 1 3.981 0.020 A 56 LEU HB2 H 1 1.231 0.020 A 56 LEU HB3 H 1 2.146 0.020 A 56 LEU HD1% H 1 0.902 0.020 A 56 LEU HD2% H 1 1.014 0.020 A 56 LEU HG H 1 1.684 0.020 A 56 LEU C C 13 177.073 0.400 A 56 LEU CA C 13 57.273 0.400 A 56 LEU CB C 13 41.496 0.400 A 56 LEU CD1 C 13 22.863 0.400 A 56 LEU CD2 C 13 25.453 0.400 A 56 LEU CG C 13 26.526 0.400 A 56 LEU N N 15 119.478 0.400 A 57 ARG H H 1 8.380 0.020 A 57 ARG HA H 1 4.025 0.020 A 57 ARG HBy H 1 2.099 0.020 A 57 ARG HBx H 1 2.009 0.020 A 57 ARG HDy H 1 3.328 0.020 A 57 ARG HDx H 1 3.276 0.020 A 57 ARG HE H 1 8.185 0.020 A 57 ARG HGy H 1 2.014 0.020 A 57 ARG HGx H 1 1.744 0.020 A 57 ARG HH11 H 1 7.009 0.020 A 57 ARG HH12 H 1 7.009 0.020 A 57 ARG C C 13 177.826 0.400 A 57 ARG CA C 13 58.831 0.400 A 57 ARG CB C 13 29.410 0.400 A 57 ARG CD C 13 43.524 0.400 A 57 ARG CG C 13 25.761 0.400 A 57 ARG CZ C 13 159.834 0.400 A 57 ARG N N 15 121.189 0.400 A 57 ARG NE N 15 85.281 0.400 A 57 ARG NH1 N 15 71.709 0.400 A 58 GLU H H 1 7.763 0.020 A 58 GLU HA H 1 3.999 0.020 A 58 GLU HB2 H 1 2.119 0.020 A 58 GLU HB3 H 1 2.119 0.020 A 58 GLU HGy H 1 2.515 0.020 A 58 GLU HGx H 1 2.293 0.020 A 58 GLU C C 13 179.350 0.400 A 58 GLU CA C 13 59.513 0.400 A 58 GLU CB C 13 29.567 0.400 A 58 GLU CG C 13 36.253 0.400 A 58 GLU N N 15 116.873 0.400 A 59 LYS H H 1 7.077 0.020 A 59 LYS HA H 1 4.244 0.020 A 59 LYS HBy H 1 1.890 0.020 A 59 LYS HBx H 1 1.803 0.020 A 59 LYS HDy H 1 1.695 0.020 A 59 LYS HDx H 1 1.624 0.020 A 59 LYS HE2 H 1 2.935 0.020 A 59 LYS HE3 H 1 2.935 0.020 A 59 LYS HGy H 1 1.622 0.020 A 59 LYS HGx H 1 1.428 0.020 A 59 LYS C C 13 178.887 0.400 A 59 LYS CA C 13 57.312 0.400 A 59 LYS CB C 13 32.127 0.400 A 59 LYS CD C 13 27.786 0.400 A 59 LYS CE C 13 42.035 0.400 A 59 LYS CG C 13 24.594 0.400 A 59 LYS N N 15 115.864 0.400 A 60 LEU H H 1 8.341 0.020 A 60 LEU HA H 1 3.551 0.020 A 60 LEU HB2 H 1 1.186 0.020 A 60 LEU HB3 H 1 -0.229 0.020 A 60 LEU HD1% H 1 0.556 0.020 A 60 LEU HD2% H 1 0.352 0.020 A 60 LEU HG H 1 1.440 0.020 A 60 LEU C C 13 177.912 0.400 A 60 LEU CA C 13 57.486 0.400 A 60 LEU CB C 13 39.838 0.400 A 60 LEU CD1 C 13 27.774 0.400 A 60 LEU CD2 C 13 22.902 0.400 A 60 LEU CG C 13 26.644 0.400 A 60 LEU N N 15 118.317 0.400 A 61 SER H H 1 8.833 0.020 A 61 SER HA H 1 3.866 0.020 A 61 SER HBx H 1 4.095 0.020 A 61 SER HBy H 1 4.167 0.020 A 61 SER C C 13 176.268 0.400 A 61 SER CA C 13 61.522 0.400 A 61 SER CB C 13 63.249 0.400 A 61 SER N N 15 111.910 0.400 A 62 GLU H H 1 7.127 0.020 A 62 GLU HA H 1 4.074 0.020 A 62 GLU HBy H 1 2.180 0.020 A 62 GLU HBx H 1 2.116 0.020 A 62 GLU HGy H 1 2.428 0.020 A 62 GLU HGx H 1 2.285 0.020 A 62 GLU C C 13 179.812 0.400 A 62 GLU CA C 13 59.131 0.400 A 62 GLU CB C 13 29.626 0.400 A 62 GLU CG C 13 35.771 0.400 A 62 GLU N N 15 116.665 0.400 A 63 LEU H H 1 7.496 0.020 A 63 LEU HA H 1 4.102 0.020 A 63 LEU HBy H 1 1.732 0.020 A 63 LEU HBx H 1 1.274 0.020 A 63 LEU HD1% H 1 0.798 0.020 A 63 LEU HD2% H 1 0.895 0.020 A 63 LEU HG H 1 1.842 0.020 A 63 LEU C C 13 179.589 0.400 A 63 LEU CA C 13 57.287 0.400 A 63 LEU CB C 13 42.743 0.400 A 63 LEU CD1 C 13 26.470 0.400 A 63 LEU CD2 C 13 22.591 0.400 A 63 LEU CG C 13 26.867 0.400 A 63 LEU N N 15 119.205 0.400 A 64 ALA H H 1 8.686 0.020 A 64 ALA HA H 1 3.860 0.020 A 64 ALA HB% H 1 1.252 0.020 A 64 ALA C C 13 179.555 0.400 A 64 ALA CA C 13 55.272 0.400 A 64 ALA CB C 13 18.615 0.400 A 64 ALA N N 15 123.050 0.400 A 65 ASP H H 1 8.656 0.020 A 65 ASP HA H 1 4.496 0.020 A 65 ASP HBy H 1 2.856 0.020 A 65 ASP HBx H 1 2.643 0.020 A 65 ASP C C 13 180.873 0.400 A 65 ASP CA C 13 57.162 0.400 A 65 ASP CB C 13 39.618 0.400 A 65 ASP N N 15 119.815 0.400 A 66 ALA H H 1 7.682 0.020 A 66 ALA HA H 1 4.199 0.020 A 66 ALA HB% H 1 1.549 0.020 A 66 ALA C C 13 179.161 0.400 A 66 ALA CA C 13 54.486 0.400 A 66 ALA CB C 13 17.982 0.400 A 66 ALA N N 15 122.254 0.400 A 67 LYS H H 1 7.455 0.020 A 67 LYS HA H 1 4.316 0.020 A 67 LYS HBy H 1 1.983 0.020 A 67 LYS HBx H 1 1.820 0.020 A 67 LYS HD2 H 1 1.655 0.020 A 67 LYS HD3 H 1 1.655 0.020 A 67 LYS HE2 H 1 3.006 0.020 A 67 LYS HE3 H 1 3.006 0.020 A 67 LYS HGy H 1 1.478 0.020 A 67 LYS HGx H 1 1.411 0.020 A 67 LYS C C 13 175.926 0.400 A 67 LYS CA C 13 54.743 0.400 A 67 LYS CB C 13 32.469 0.400 A 67 LYS CD C 13 28.269 0.400 A 67 LYS CE C 13 41.944 0.400 A 67 LYS CG C 13 24.853 0.400 A 67 LYS N N 15 117.402 0.400 A 68 GLY H H 1 7.921 0.020 A 68 GLY HAy H 1 4.130 0.020 A 68 GLY HAx H 1 3.786 0.020 A 68 GLY C C 13 174.813 0.400 A 68 GLY CA C 13 45.394 0.400 A 68 GLY N N 15 106.102 0.400 A 69 GLY H H 1 7.870 0.020 A 69 GLY HAy H 1 4.735 0.020 A 69 GLY HAx H 1 3.096 0.020 A 69 GLY C C 13 172.125 0.400 A 69 GLY CA C 13 43.609 0.400 A 69 GLY N N 15 105.589 0.400 A 70 LYS H H 1 7.607 0.020 A 70 LYS HA H 1 4.258 0.020 A 70 LYS HB2 H 1 1.052 0.020 A 70 LYS HB3 H 1 1.052 0.020 A 70 LYS HD2 H 1 1.524 0.020 A 70 LYS HD3 H 1 1.524 0.020 A 70 LYS HE2 H 1 2.886 0.020 A 70 LYS HE3 H 1 2.886 0.020 A 70 LYS HGy H 1 1.145 0.020 A 70 LYS HGx H 1 0.963 0.020 A 70 LYS C C 13 176.182 0.400 A 70 LYS CA C 13 56.520 0.400 A 70 LYS CB C 13 34.604 0.400 A 70 LYS CD C 13 29.379 0.400 A 70 LYS CE C 13 41.857 0.400 A 70 LYS CG C 13 25.097 0.400 A 70 LYS N N 15 117.773 0.400 A 71 TYR H H 1 8.397 0.020 A 71 TYR HA H 1 6.216 0.020 A 71 TYR HBy H 1 3.253 0.020 A 71 TYR HBx H 1 2.433 0.020 A 71 TYR C C 13 175.395 0.400 A 71 TYR CA C 13 53.483 0.400 A 71 TYR CB C 13 43.544 0.400 A 71 TYR N N 15 116.399 0.400 A 72 TYR H H 1 8.331 0.020 A 72 TYR HA H 1 6.074 0.020 A 72 TYR HB2 H 1 2.813 0.020 A 72 TYR HB3 H 1 2.629 0.020 A 72 TYR HD1 H 1 6.436 0.020 A 72 TYR HD2 H 1 6.436 0.020 A 72 TYR HE1 H 1 6.444 0.020 A 72 TYR HE2 H 1 6.444 0.020 A 72 TYR C C 13 172.741 0.400 A 72 TYR CA C 13 56.049 0.400 A 72 TYR CB C 13 40.955 0.400 A 72 TYR CD1 C 13 131.829 0.400 A 72 TYR CE1 C 13 117.162 0.400 A 72 TYR N N 15 116.119 0.400 A 73 HIS H H 1 9.721 0.020 A 73 HIS HA H 1 5.357 0.020 A 73 HIS HBy H 1 3.238 0.020 A 73 HIS HBx H 1 2.819 0.020 A 73 HIS HD2 H 1 6.806 0.020 A 73 HIS HE1 H 1 8.085 0.020 A 73 HIS C C 13 174.761 0.400 A 73 HIS CA C 13 54.358 0.400 A 73 HIS CB C 13 33.794 0.400 A 73 HIS N N 15 121.635 0.400 A 74 ILE H H 1 8.819 0.020 A 74 ILE HA H 1 3.890 0.020 A 74 ILE HB H 1 1.866 0.020 A 74 ILE HD1% H 1 0.919 0.020 A 74 ILE HG1y H 1 1.766 0.020 A 74 ILE HG1x H 1 0.914 0.020 A 74 ILE HG2% H 1 0.738 0.020 A 74 ILE C C 13 174.556 0.400 A 74 ILE CA C 13 63.548 0.400 A 74 ILE CB C 13 37.809 0.400 A 74 ILE CD1 C 13 13.020 0.400 A 74 ILE CG1 C 13 29.553 0.400 A 74 ILE CG2 C 13 16.706 0.400 A 74 ILE N N 15 129.222 0.400 A 75 ILE H H 1 8.656 0.020 A 75 ILE HA H 1 4.435 0.020 A 75 ILE HB H 1 1.960 0.020 A 75 ILE HD1% H 1 0.855 0.020 A 75 ILE HG1y H 1 1.278 0.020 A 75 ILE HG1x H 1 1.028 0.020 A 75 ILE HG2% H 1 0.961 0.020 A 75 ILE C C 13 176.148 0.400 A 75 ILE CA C 13 60.308 0.400 A 75 ILE CB C 13 39.448 0.400 A 75 ILE CD1 C 13 12.794 0.400 A 75 ILE CG1 C 13 26.650 0.400 A 75 ILE CG2 C 13 18.260 0.400 A 75 ILE N N 15 120.726 0.400 A 76 ALA H H 1 7.815 0.020 A 76 ALA HA H 1 4.507 0.020 A 76 ALA HB% H 1 1.245 0.020 A 76 ALA C C 13 175.292 0.400 A 76 ALA CA C 13 52.149 0.400 A 76 ALA CB C 13 22.157 0.400 A 76 ALA N N 15 123.328 0.400 A 77 ALA H H 1 8.447 0.020 A 77 ALA HA H 1 4.838 0.020 A 77 ALA HB% H 1 1.076 0.020 A 77 ALA C C 13 173.957 0.400 A 77 ALA CA C 13 52.138 0.400 A 77 ALA CB C 13 19.741 0.400 A 77 ALA N N 15 122.393 0.400 A 78 ARG H H 1 8.364 0.020 A 78 ARG HA H 1 4.431 0.020 A 78 ARG HB2 H 1 1.662 0.020 A 78 ARG HB3 H 1 1.855 0.020 A 78 ARG HD2 H 1 2.988 0.020 A 78 ARG HD3 H 1 2.988 0.020 A 78 ARG HE H 1 7.095 0.020 A 78 ARG HGy H 1 1.340 0.020 A 78 ARG HGx H 1 1.119 0.020 A 78 ARG C C 13 173.203 0.400 A 78 ARG CA C 13 54.604 0.400 A 78 ARG CB C 13 32.375 0.400 A 78 ARG CD C 13 43.423 0.400 A 78 ARG CG C 13 25.835 0.400 A 78 ARG CZ C 13 159.303 0.400 A 78 ARG N N 15 118.698 0.400 A 78 ARG NE N 15 84.793 0.400 A 79 GLU H H 1 8.532 0.020 A 79 GLU HA H 1 4.773 0.020 A 79 GLU HBy H 1 2.104 0.020 A 79 GLU HBx H 1 2.023 0.020 A 79 GLU HG2 H 1 2.341 0.020 A 79 GLU HG3 H 1 2.341 0.020 A 79 GLU C C 13 175.823 0.400 A 79 GLU CA C 13 55.514 0.400 A 79 GLU CB C 13 31.336 0.400 A 79 GLU CG C 13 36.663 0.400 A 79 GLU N N 15 120.325 0.400 A 80 HIS H H 1 8.879 0.020 A 80 HIS HA H 1 4.848 0.020 A 80 HIS HBy H 1 2.980 0.020 A 80 HIS HBx H 1 2.644 0.020 A 80 HIS C C 13 174.761 0.400 A 80 HIS CA C 13 53.922 0.400 A 80 HIS CB C 13 30.232 0.400 A 80 HIS N N 15 124.355 0.400 A 81 GLY H H 1 9.155 0.020 A 81 GLY HAy H 1 4.172 0.020 A 81 GLY HAx H 1 3.566 0.020 A 81 GLY CA C 13 44.764 0.400 A 81 GLY N N 15 119.713 0.400 A 82 PRO HA H 1 4.593 0.020 A 82 PRO HB2 H 1 2.117 0.020 A 82 PRO HB3 H 1 2.212 0.020 A 82 PRO HDy H 1 3.889 0.020 A 82 PRO HDx H 1 3.660 0.020 A 82 PRO HGy H 1 2.007 0.020 A 82 PRO HGx H 1 1.851 0.020 A 82 PRO C C 13 175.806 0.400 A 82 PRO CA C 13 63.319 0.400 A 82 PRO CB C 13 32.261 0.400 A 82 PRO CD C 13 50.357 0.400 A 82 PRO CG C 13 25.961 0.400 A 83 ASN H H 1 7.579 0.020 A 83 ASN HA H 1 5.198 0.020 A 83 ASN HB2 H 1 2.676 0.020 A 83 ASN HB3 H 1 2.532 0.020 A 83 ASN HD2x H 1 6.851 0.020 A 83 ASN HD2y H 1 7.489 0.020 A 83 ASN C C 13 173.631 0.400 A 83 ASN CA C 13 52.588 0.400 A 83 ASN CB C 13 41.027 0.400 A 83 ASN N N 15 117.789 0.400 A 83 ASN ND2 N 15 113.280 0.400 A 84 PHE H H 1 9.115 0.020 A 84 PHE HA H 1 4.707 0.020 A 84 PHE HBy H 1 3.004 0.020 A 84 PHE HBx H 1 2.780 0.020 A 84 PHE HD1 H 1 6.706 0.020 A 84 PHE HD2 H 1 6.706 0.020 A 84 PHE HE1 H 1 6.328 0.020 A 84 PHE HE2 H 1 6.328 0.020 A 84 PHE HZ H 1 6.443 0.020 A 84 PHE C C 13 173.511 0.400 A 84 PHE CA C 13 57.590 0.400 A 84 PHE CB C 13 41.413 0.400 A 84 PHE CD1 C 13 130.817 0.400 A 84 PHE CE1 C 13 129.554 0.400 A 84 PHE CZ C 13 127.035 0.400 A 84 PHE N N 15 123.317 0.400 A 85 GLU H H 1 8.140 0.020 A 85 GLU HA H 1 5.172 0.020 A 85 GLU HBy H 1 1.759 0.020 A 85 GLU HBx H 1 1.650 0.020 A 85 GLU HG2 H 1 2.028 0.020 A 85 GLU HG3 H 1 2.028 0.020 A 85 GLU C C 13 174.059 0.400 A 85 GLU CA C 13 53.474 0.400 A 85 GLU CB C 13 33.212 0.400 A 85 GLU CG C 13 36.040 0.400 A 85 GLU N N 15 126.138 0.400 A 86 ALA H H 1 8.562 0.020 A 86 ALA HA H 1 4.968 0.020 A 86 ALA HB% H 1 1.232 0.020 A 86 ALA C C 13 175.258 0.400 A 86 ALA CA C 13 50.254 0.400 A 86 ALA CB C 13 22.845 0.400 A 86 ALA N N 15 121.396 0.400 A 87 VAL H H 1 8.605 0.020 A 87 VAL HA H 1 4.737 0.020 A 87 VAL HB H 1 1.734 0.020 A 87 VAL HG1% H 1 0.907 0.020 A 87 VAL HG2% H 1 0.830 0.020 A 87 VAL C C 13 174.984 0.400 A 87 VAL CA C 13 60.994 0.400 A 87 VAL CB C 13 34.943 0.400 A 87 VAL CG1 C 13 21.000 0.400 A 87 VAL CG2 C 13 20.625 0.400 A 87 VAL N N 15 120.736 0.400 A 88 ALA H H 1 9.180 0.020 A 88 ALA HA H 1 5.495 0.020 A 88 ALA HB% H 1 1.207 0.020 A 88 ALA C C 13 175.361 0.400 A 88 ALA CA C 13 49.877 0.400 A 88 ALA CB C 13 23.279 0.400 A 88 ALA N N 15 127.347 0.400 A 89 GLU H H 1 9.181 0.020 A 89 GLU HA H 1 4.968 0.020 A 89 GLU HB2 H 1 2.474 0.020 A 89 GLU HB3 H 1 1.848 0.020 A 89 GLU HGy H 1 2.559 0.020 A 89 GLU HGx H 1 2.260 0.020 A 89 GLU C C 13 175.480 0.400 A 89 GLU CA C 13 54.816 0.400 A 89 GLU CB C 13 34.027 0.400 A 89 GLU CG C 13 37.601 0.400 A 89 GLU N N 15 120.226 0.400 A 90 VAL H H 1 8.830 0.020 A 90 VAL HA H 1 4.834 0.020 A 90 VAL HB H 1 1.513 0.020 A 90 VAL HG1% H 1 0.980 0.020 A 90 VAL HG2% H 1 0.814 0.020 A 90 VAL C C 13 174.504 0.400 A 90 VAL CA C 13 61.528 0.400 A 90 VAL CB C 13 33.151 0.400 A 90 VAL CG1 C 13 22.390 0.400 A 90 VAL CG2 C 13 23.061 0.400 A 90 VAL N N 15 123.164 0.400 A 91 TYR H H 1 9.089 0.020 A 91 TYR HA H 1 5.704 0.020 A 91 TYR HBy H 1 3.087 0.020 A 91 TYR HBx H 1 2.580 0.020 A 91 TYR HD1 H 1 6.637 0.020 A 91 TYR HD2 H 1 6.637 0.020 A 91 TYR HE1 H 1 6.758 0.020 A 91 TYR HE2 H 1 6.758 0.020 A 91 TYR C C 13 174.179 0.400 A 91 TYR CA C 13 57.055 0.400 A 91 TYR CB C 13 45.654 0.400 A 91 TYR CD1 C 13 131.384 0.400 A 91 TYR CE1 C 13 118.748 0.400 A 91 TYR N N 15 125.000 0.400 A 92 ASN H H 1 9.395 0.020 A 92 ASN HA H 1 5.420 0.020 A 92 ASN HB2 H 1 2.545 0.020 A 92 ASN HB3 H 1 3.198 0.020 A 92 ASN HD2y H 1 7.671 0.020 A 92 ASN HD2x H 1 7.176 0.020 A 92 ASN C C 13 175.566 0.400 A 92 ASN CA C 13 50.783 0.400 A 92 ASN CB C 13 43.413 0.400 A 92 ASN N N 15 119.457 0.400 A 92 ASN ND2 N 15 112.260 0.400 A 93 ASP H H 1 8.510 0.020 A 93 ASP HA H 1 4.842 0.020 A 93 ASP HBy H 1 2.869 0.020 A 93 ASP HBx H 1 2.513 0.020 A 93 ASP C C 13 175.600 0.400 A 93 ASP CA C 13 55.364 0.400 A 93 ASP CB C 13 42.087 0.400 A 93 ASP N N 15 117.405 0.400 A 94 ALA H H 1 9.141 0.020 A 94 ALA HA H 1 4.346 0.020 A 94 ALA HB% H 1 1.553 0.020 A 94 ALA C C 13 178.494 0.400 A 94 ALA CA C 13 53.012 0.400 A 94 ALA CB C 13 18.961 0.400 A 94 ALA N N 15 122.789 0.400 A 95 THR H H 1 8.185 0.020 A 95 THR HA H 1 4.255 0.020 A 95 THR HB H 1 4.148 0.020 A 95 THR HG2% H 1 1.235 0.020 A 95 THR C C 13 174.436 0.400 A 95 THR CA C 13 62.020 0.400 A 95 THR CB C 13 69.800 0.400 A 95 THR CG2 C 13 21.742 0.400 A 95 THR N N 15 114.307 0.400 A 96 LYS H H 1 8.413 0.020 A 96 LYS HA H 1 4.345 0.020 A 96 LYS HBy H 1 1.823 0.020 A 96 LYS HBx H 1 1.736 0.020 A 96 LYS HD2 H 1 1.672 0.020 A 96 LYS HD3 H 1 1.672 0.020 A 96 LYS HE2 H 1 2.989 0.020 A 96 LYS HE3 H 1 2.989 0.020 A 96 LYS HGy H 1 1.438 0.020 A 96 LYS HGx H 1 1.375 0.020 A 96 LYS C C 13 176.097 0.400 A 96 LYS CA C 13 56.107 0.400 A 96 LYS CB C 13 32.892 0.400 A 96 LYS CD C 13 29.004 0.400 A 96 LYS CE C 13 42.066 0.400 A 96 LYS CG C 13 24.647 0.400 A 96 LYS N N 15 124.352 0.400 A 97 LEU H H 1 8.299 0.020 A 97 LEU HA H 1 4.320 0.020 A 97 LEU HBy H 1 1.564 0.020 A 97 LEU HBx H 1 1.478 0.020 A 97 LEU HD1% H 1 0.891 0.020 A 97 LEU HD2% H 1 0.832 0.020 A 97 LEU HG H 1 1.561 0.020 A 97 LEU C C 13 177.107 0.400 A 97 LEU CA C 13 54.839 0.400 A 97 LEU CB C 13 42.317 0.400 A 97 LEU CD1 C 13 24.865 0.400 A 97 LEU CD2 C 13 23.518 0.400 A 97 LEU CG C 13 26.884 0.400 A 97 LEU N N 15 124.358 0.400 A 98 GLU H H 1 8.407 0.020 A 98 GLU HA H 1 4.225 0.020 A 98 GLU HBy H 1 1.891 0.020 A 98 GLU HBx H 1 1.838 0.020 A 98 GLU HGy H 1 2.186 0.020 A 98 GLU HGx H 1 2.129 0.020 A 98 GLU C C 13 176.080 0.400 A 98 GLU CA C 13 56.167 0.400 A 98 GLU CB C 13 30.446 0.400 A 98 GLU CG C 13 36.040 0.400 A 98 GLU N N 15 122.023 0.400 A 99 HIS H H 1 8.342 0.020 A 99 HIS HA H 1 4.594 0.020 A 99 HIS HBx H 1 3.092 0.020 A 99 HIS HBy H 1 3.137 0.020 A 99 HIS C C 13 173.939 0.400 A 99 HIS CA C 13 55.726 0.400 A 99 HIS CB C 13 30.047 0.400 A 99 HIS N N 15 120.221 0.400 A 100 HIS H H 1 8.132 0.020 A 100 HIS HA H 1 4.415 0.020 A 100 HIS HBy H 1 3.190 0.020 A 100 HIS HBx H 1 3.068 0.020 A 100 HIS CA C 13 57.140 0.400 A 100 HIS CB C 13 30.167 0.400 A 100 HIS N N 15 125.325 0.400 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 23 GLU H A 24 GLN H 1.0 1.8 5.0 2 2 A 24 GLN H A 25 VAL H 1.0 1.8 5.0 3 3 A 27 LYS H A 28 GLN H 1.0 1.8 5.0 4 4 A 28 GLN H A 29 GLU H 1.0 1.8 5.0 5 5 A 30 ILE H A 31 SER H 1.0 1.8 4.0 6 6 A 31 SER H A 32 HIS H 1.0 1.8 4.0 7 7 A 33 PHE H A 34 LYS H 1.0 1.8 4.0 8 8 A 35 LEU H A 36 VAL H 1.0 1.8 5.0 9 9 A 37 LYS H A 38 VAL H 1.0 1.8 5.0 10 10 A 38 VAL H A 39 GLY H 1.0 1.8 3.0 11 11 A 39 GLY H A 40 THR H 1.0 1.8 5.0 12 12 A 40 THR H A 41 ILE H 1.0 1.8 5.0 13 13 A 41 ILE H A 42 ASN H 1.0 1.8 5.0 14 14 A 42 ASN H A 43 VAL H 1.0 1.8 5.0 15 15 A 44 SER H A 45 GLN H 1.0 1.8 5.0 16 16 A 47 GLY H A 48 GLY H 1.0 1.8 5.0 17 17 A 48 GLY H A 49 GLN H 1.0 1.8 5.0 18 18 A 50 ILE H A 51 SER H 1.0 1.8 5.0 19 19 A 51 SER H A 52 SER H 1.0 1.8 5.0 20 20 A 54 SER H A 55 ASP H 1.0 1.8 5.0 21 21 A 55 ASP H A 56 LEU H 1.0 1.8 5.0 22 22 A 56 LEU H A 57 ARG H 1.0 1.8 4.0 23 23 A 57 ARG H A 58 GLU H 1.0 1.8 4.0 24 24 A 58 GLU H A 59 LYS H 1.0 1.8 4.0 25 25 A 59 LYS H A 60 LEU H 1.0 1.8 4.0 26 26 A 60 LEU H A 61 SER H 1.0 1.8 4.0 27 27 A 61 SER H A 62 GLU H 1.0 1.8 4.0 28 28 A 62 GLU H A 63 LEU H 1.0 1.8 4.0 29 29 A 63 LEU H A 64 ALA H 1.0 1.8 5.0 30 30 A 65 ASP H A 66 ALA H 1.0 1.8 5.0 31 31 A 66 ALA H A 67 LYS H 1.0 1.8 5.0 32 32 A 67 LYS H A 68 GLY H 1.0 1.8 5.0 33 33 A 70 LYS H A 71 TYR H 1.0 1.8 3.0 34 34 A 73 HIS H A 74 ILE H 1.0 1.8 5.0 35 35 A 75 ILE H A 76 ALA H 1.0 1.8 3.0 36 36 A 76 ALA H A 77 ALA H 1.0 1.8 5.0 37 37 A 78 ARG H A 79 GLU H 1.0 1.8 5.0 38 38 A 79 GLU H A 80 HIS H 1.0 1.8 5.0 39 39 A 83 ASN H A 84 PHE H 1.0 1.8 5.0 40 40 A 84 PHE H A 85 GLU H 1.0 1.8 5.0 41 41 A 85 GLU H A 86 ALA H 1.0 1.8 5.0 42 42 A 87 VAL H A 88 ALA H 1.0 1.8 5.0 43 43 A 89 GLU H A 90 VAL H 1.0 1.8 5.0 44 44 A 91 TYR H A 92 ASN H 1.0 1.8 5.0 45 45 A 92 ASN H A 93 ASP H 1.0 1.8 5.0 46 46 A 93 ASP H A 94 ALA H 1.0 1.8 5.0 47 47 B 23 GLU H B 24 GLN H 1.0 1.8 5.0 48 48 B 24 GLN H B 25 VAL H 1.0 1.8 5.0 49 49 B 27 LYS H B 28 GLN H 1.0 1.8 5.0 50 50 B 28 GLN H B 29 GLU H 1.0 1.8 5.0 51 51 B 30 ILE H B 31 SER H 1.0 1.8 4.0 52 52 B 31 SER H B 32 HIS H 1.0 1.8 4.0 53 53 B 33 PHE H B 34 LYS H 1.0 1.8 4.0 54 54 B 35 LEU H B 36 VAL H 1.0 1.8 5.0 55 55 B 37 LYS H B 38 VAL H 1.0 1.8 5.0 56 56 B 38 VAL H B 39 GLY H 1.0 1.8 3.0 57 57 B 39 GLY H B 40 THR H 1.0 1.8 5.0 58 58 B 40 THR H B 41 ILE H 1.0 1.8 5.0 59 59 B 41 ILE H B 42 ASN H 1.0 1.8 5.0 60 60 B 42 ASN H B 43 VAL H 1.0 1.8 5.0 61 61 B 44 SER H B 45 GLN H 1.0 1.8 5.0 62 62 B 47 GLY H B 48 GLY H 1.0 1.8 5.0 63 63 B 48 GLY H B 49 GLN H 1.0 1.8 4.0 64 64 B 50 ILE H B 51 SER H 1.0 1.8 5.0 65 65 B 51 SER H B 52 SER H 1.0 1.8 4.0 66 66 B 54 SER H B 55 ASP H 1.0 1.8 5.0 67 67 B 55 ASP H B 56 LEU H 1.0 1.8 5.0 68 68 B 56 LEU H B 57 ARG H 1.0 1.8 4.0 69 69 B 57 ARG H B 58 GLU H 1.0 1.8 4.0 70 70 B 58 GLU H B 59 LYS H 1.0 1.8 4.0 71 71 B 59 LYS H B 60 LEU H 1.0 1.8 4.0 72 72 B 60 LEU H B 61 SER H 1.0 1.8 4.0 73 73 B 61 SER H B 62 GLU H 1.0 1.8 4.0 74 74 B 62 GLU H B 63 LEU H 1.0 1.8 4.0 75 75 B 63 LEU H B 64 ALA H 1.0 1.8 5.0 76 76 B 65 ASP H B 66 ALA H 1.0 1.8 5.0 77 77 B 66 ALA H B 67 LYS H 1.0 1.8 5.0 78 78 B 67 LYS H B 68 GLY H 1.0 1.8 5.0 79 79 B 70 LYS H B 71 TYR H 1.0 1.8 3.0 80 80 B 73 HIS H B 74 ILE H 1.0 1.8 5.0 81 81 B 75 ILE H B 76 ALA H 1.0 1.8 3.0 82 82 B 76 ALA H B 77 ALA H 1.0 1.8 5.0 83 83 B 78 ARG H B 79 GLU H 1.0 1.8 5.0 84 84 B 79 GLU H B 80 HIS H 1.0 1.8 5.0 85 85 B 83 ASN H B 84 PHE H 1.0 1.8 5.0 86 86 B 84 PHE H B 85 GLU H 1.0 1.8 5.0 87 87 B 85 GLU H B 86 ALA H 1.0 1.8 5.0 88 88 B 87 VAL H B 88 ALA H 1.0 1.8 5.0 89 89 B 89 GLU H B 90 VAL H 1.0 1.8 5.0 90 90 B 91 TYR H B 92 ASN H 1.0 1.8 5.0 91 91 B 92 ASN H B 93 ASP H 1.0 1.8 5.0 92 92 B 93 ASP H B 94 ALA H 1.0 1.8 5.0 93 93 A 27 LYS H A 29 GLU H 1.0 1.8 5.0 94 94 A 28 GLN H A 30 ILE H 1.0 1.8 5.0 95 95 A 31 SER H A 33 PHE H 1.0 1.8 5.0 96 96 A 33 PHE H A 35 LEU H 1.0 1.8 5.0 97 97 A 55 ASP H A 57 ARG H 1.0 1.8 5.0 98 98 A 57 ARG H A 59 LYS H 1.0 1.8 5.0 99 99 A 59 LYS H A 61 SER H 1.0 1.8 5.0 100 100 A 60 LEU H A 62 GLU H 1.0 1.8 5.0 101 101 A 62 GLU H A 64 ALA H 1.0 1.8 5.0 102 102 A 64 ALA H A 66 ALA H 1.0 1.8 5.0 103 103 A 65 ASP H A 67 LYS H 1.0 1.8 5.0 104 104 A 66 ALA H A 68 GLY H 1.0 1.8 5.0 105 105 A 67 LYS H A 69 GLY H 1.0 1.8 5.0 106 106 B 27 LYS H B 29 GLU H 1.0 1.8 5.0 107 107 B 28 GLN H B 30 ILE H 1.0 1.8 5.0 108 108 B 31 SER H B 33 PHE H 1.0 1.8 5.0 109 109 B 33 PHE H B 35 LEU H 1.0 1.8 5.0 110 110 B 55 ASP H B 57 ARG H 1.0 1.8 5.0 111 111 B 57 ARG H B 59 LYS H 1.0 1.8 5.0 112 112 B 59 LYS H B 61 SER H 1.0 1.8 5.0 113 113 B 60 LEU H B 62 GLU H 1.0 1.8 5.0 114 114 B 62 GLU H B 64 ALA H 1.0 1.8 5.0 115 115 B 64 ALA H B 66 ALA H 1.0 1.8 5.0 116 116 B 65 ASP H B 67 LYS H 1.0 1.8 5.0 117 117 B 66 ALA H B 68 GLY H 1.0 1.8 5.0 118 118 B 67 LYS H B 69 GLY H 1.0 1.8 5.0 119 119 A 23 GLU H A 22 ALA HA 1.0 1.8 3.0 120 120 A 24 GLN H A 23 GLU HA 1.0 1.8 3.0 121 121 A 25 VAL H A 24 GLN HA 1.0 1.8 3.0 122 122 A 27 LYS H A 26 SER HA 1.0 1.8 3.0 123 123 A 36 VAL H A 35 LEU HA 1.0 1.8 3.0 124 124 A 37 LYS H A 36 VAL HA 1.0 1.8 3.0 125 125 A 41 ILE H A 40 THR HA 1.0 1.8 5.0 126 126 A 42 ASN H A 41 ILE HA 1.0 1.8 3.0 127 127 A 43 VAL H A 42 ASN HA 1.0 1.8 5.0 128 128 A 44 SER H A 43 VAL HA 1.0 1.8 5.0 129 129 A 45 GLN H A 44 SER HA 1.0 1.8 3.0 130 130 A 45 GLN HA A 46 SER H 1.0 1.8 5.0 131 131 A 47 GLY H A 46 SER HA 1.0 1.8 4.0 132 132 A 71 TYR HA A 72 TYR H 1.0 1.8 3.0 133 133 A 73 HIS H A 72 TYR HA 1.0 1.8 3.0 134 134 A 74 ILE H A 73 HIS HA 1.0 1.8 3.0 135 135 A 77 ALA H A 76 ALA HA 1.0 1.8 5.0 136 136 A 78 ARG H A 77 ALA HA 1.0 1.8 5.0 137 137 A 79 GLU H A 78 ARG HA 1.0 1.8 5.0 138 138 A 84 PHE H A 83 ASN HA 1.0 1.8 3.0 139 139 A 85 GLU H A 84 PHE HA 1.0 1.8 5.0 140 140 A 86 ALA H A 85 GLU HA 1.0 1.8 5.0 141 141 A 87 VAL H A 86 ALA HA 1.0 1.8 5.0 142 142 A 88 ALA H A 87 VAL HA 1.0 1.8 3.0 143 143 A 93 ASP H A 92 ASN HA 1.0 1.8 3.0 144 144 A 94 ALA H A 93 ASP HA 1.0 1.8 5.0 145 145 A 94 ALA HA A 95 THR H 1.0 1.8 5.0 146 146 A 96 LYS HA A 97 LEU H 1.0 1.8 5.0 147 147 A 97 LEU HA A 98 GLU H 1.0 1.8 5.0 148 148 B 23 GLU H B 22 ALA HA 1.0 1.8 3.0 149 149 B 24 GLN H B 23 GLU HA 1.0 1.8 3.0 150 150 B 25 VAL H B 24 GLN HA 1.0 1.8 3.0 151 151 B 27 LYS H B 26 SER HA 1.0 1.8 3.0 152 152 B 36 VAL H B 35 LEU HA 1.0 1.8 3.0 153 153 B 37 LYS H B 36 VAL HA 1.0 1.8 3.0 154 154 B 41 ILE H B 40 THR HA 1.0 1.8 5.0 155 155 B 42 ASN H B 41 ILE HA 1.0 1.8 3.0 156 156 B 43 VAL H B 42 ASN HA 1.0 1.8 5.0 157 157 B 44 SER H B 43 VAL HA 1.0 1.8 5.0 158 158 B 45 GLN H B 44 SER HA 1.0 1.8 3.0 159 159 B 45 GLN HA B 46 SER H 1.0 1.8 5.0 160 160 B 47 GLY H B 46 SER HA 1.0 1.8 4.0 161 161 B 71 TYR HA B 72 TYR H 1.0 1.8 3.0 162 162 B 73 HIS H B 72 TYR HA 1.0 1.8 3.0 163 163 B 74 ILE H B 73 HIS HA 1.0 1.8 3.0 164 164 B 77 ALA H B 76 ALA HA 1.0 1.8 5.0 165 165 B 78 ARG H B 77 ALA HA 1.0 1.8 5.0 166 166 B 79 GLU H B 78 ARG HA 1.0 1.8 5.0 167 167 B 84 PHE H B 83 ASN HA 1.0 1.8 3.0 168 168 B 85 GLU H B 84 PHE HA 1.0 1.8 5.0 169 169 B 86 ALA H B 85 GLU HA 1.0 1.8 5.0 170 170 B 87 VAL H B 86 ALA HA 1.0 1.8 5.0 171 171 B 88 ALA H B 87 VAL HA 1.0 1.8 3.0 172 172 B 93 ASP H B 92 ASN HA 1.0 1.8 3.0 173 173 B 94 ALA H B 93 ASP HA 1.0 1.8 5.0 174 174 B 94 ALA HA B 95 THR H 1.0 1.8 5.0 175 175 B 96 LYS HA B 97 LEU H 1.0 1.8 5.0 176 176 B 97 LEU HA B 98 GLU H 1.0 1.8 5.0 177 177 A 39 GLY H A 37 LYS HA 1.0 1.8 5.0 178 178 A 50 ILE H A 48 GLY HA2 1.0 1.8 5.0 179 178 A 50 ILE H A 48 GLY HA3 1.0 1.8 5.0 180 179 A 52 SER H A 50 ILE HA 1.0 1.8 5.0 181 180 A 55 ASP H A 53 PRO HA 1.0 1.8 5.0 182 181 A 56 LEU H A 54 SER HA 1.0 1.8 5.0 183 182 A 62 GLU H A 60 LEU HA 1.0 1.8 5.0 184 183 A 66 ALA H A 64 ALA HA 1.0 1.8 5.0 185 184 A 67 LYS H A 65 ASP HA 1.0 1.8 5.0 186 185 A 68 GLY H A 66 ALA HA 1.0 1.8 5.0 187 186 A 71 TYR H A 69 GLY HAy 1.0 1.8 5.0 188 186 A 71 TYR H A 69 GLY HAx 1.0 1.8 5.0 189 187 A 76 ALA H A 74 ILE HA 1.0 1.8 5.0 190 188 A 83 ASN H A 81 GLY HAy 1.0 1.8 5.0 191 188 A 83 ASN H A 81 GLY HAx 1.0 1.8 5.0 192 189 B 39 GLY H B 37 LYS HA 1.0 1.8 5.0 193 190 B 50 ILE H B 48 GLY HAx 1.0 1.8 5.0 194 190 B 50 ILE H B 48 GLY HAy 1.0 1.8 5.0 195 191 B 52 SER H B 50 ILE HA 1.0 1.8 5.0 196 192 B 55 ASP H B 53 PRO HA 1.0 1.8 5.0 197 193 B 56 LEU H B 54 SER HA 1.0 1.8 5.0 198 194 B 62 GLU H B 60 LEU HA 1.0 1.8 5.0 199 195 B 66 ALA H B 64 ALA HA 1.0 1.8 5.0 200 196 B 67 LYS H B 65 ASP HA 1.0 1.8 5.0 201 197 B 68 GLY H B 66 ALA HA 1.0 1.8 5.0 202 198 B 71 TYR H B 69 GLY HAx 1.0 1.8 5.0 203 198 B 71 TYR H B 69 GLY HAy 1.0 1.8 5.0 204 199 B 76 ALA H B 74 ILE HA 1.0 1.8 5.0 205 200 B 83 ASN H B 81 GLY HAx 1.0 1.8 5.0 206 200 B 83 ASN H B 81 GLY HAy 1.0 1.8 5.0 207 201 A 30 ILE H A 27 LYS HA 1.0 1.8 5.0 208 202 A 31 SER H A 28 GLN HA 1.0 1.8 5.0 209 203 A 34 LYS H A 31 SER HA 1.0 1.8 5.0 210 204 A 55 ASP H A 52 SER HA 1.0 1.8 5.0 211 205 A 56 LEU H A 53 PRO HA 1.0 1.8 5.0 212 206 A 57 ARG H A 54 SER HA 1.0 1.8 5.0 213 207 A 58 GLU H A 55 ASP HA 1.0 1.8 5.0 214 208 A 59 LYS H A 56 LEU HA 1.0 1.8 5.0 215 209 A 61 SER H A 58 GLU HA 1.0 1.8 5.0 216 210 A 62 GLU H A 59 LYS HA 1.0 1.8 5.0 217 211 A 63 LEU H A 60 LEU HA 1.0 1.8 5.0 218 212 A 64 ALA H A 61 SER HA 1.0 1.8 5.0 219 213 A 65 ASP H A 62 GLU HA 1.0 1.8 5.0 220 214 A 66 ALA H A 63 LEU HA 1.0 1.8 5.0 221 215 A 67 LYS H A 64 ALA HA 1.0 1.8 5.0 222 216 A 68 GLY H A 65 ASP HA 1.0 1.8 5.0 223 217 B 30 ILE H B 27 LYS HA 1.0 1.8 5.0 224 218 B 31 SER H B 28 GLN HA 1.0 1.8 5.0 225 219 B 34 LYS H B 31 SER HA 1.0 1.8 5.0 226 220 B 55 ASP H B 52 SER HA 1.0 1.8 5.0 227 221 B 56 LEU H B 53 PRO HA 1.0 1.8 5.0 228 222 B 57 ARG H B 54 SER HA 1.0 1.8 5.0 229 223 B 58 GLU H B 55 ASP HA 1.0 1.8 5.0 230 224 B 59 LYS H B 56 LEU HA 1.0 1.8 5.0 231 225 B 61 SER H B 58 GLU HA 1.0 1.8 5.0 232 226 B 62 GLU H B 59 LYS HA 1.0 1.8 5.0 233 227 B 63 LEU H B 60 LEU HA 1.0 1.8 5.0 234 228 B 64 ALA H B 61 SER HA 1.0 1.8 5.0 235 229 B 65 ASP H B 62 GLU HA 1.0 1.8 5.0 236 230 B 66 ALA H B 63 LEU HA 1.0 1.8 5.0 237 231 B 67 LYS H B 64 ALA HA 1.0 1.8 5.0 238 232 B 68 GLY H B 65 ASP HA 1.0 1.8 5.0 239 233 A 31 SER H A 27 LYS HA 1.0 1.8 5.0 240 234 A 32 HIS H A 28 GLN HA 1.0 1.8 5.0 241 235 A 33 PHE H A 29 GLU HA 1.0 1.8 5.0 242 236 A 34 LYS H A 30 ILE HA 1.0 1.8 5.0 243 237 A 35 LEU H A 31 SER HA 1.0 1.8 5.0 244 238 A 57 ARG H A 53 PRO HA 1.0 1.8 5.0 245 239 A 60 LEU H A 56 LEU HA 1.0 1.8 5.0 246 240 A 61 SER H A 57 ARG HA 1.0 1.8 5.0 247 241 A 63 LEU H A 59 LYS HA 1.0 1.8 5.0 248 242 A 64 ALA H A 60 LEU HA 1.0 1.8 5.0 249 243 A 66 ALA H A 62 GLU HA 1.0 1.8 5.0 250 244 A 67 LYS H A 63 LEU HA 1.0 1.8 5.0 251 245 A 68 GLY H A 64 ALA HA 1.0 1.8 5.0 252 246 A 69 GLY H A 65 ASP HA 1.0 1.8 5.0 253 247 B 31 SER H B 27 LYS HA 1.0 1.8 5.0 254 248 B 32 HIS H B 28 GLN HA 1.0 1.8 5.0 255 249 B 33 PHE H B 29 GLU HA 1.0 1.8 5.0 256 250 B 34 LYS H B 30 ILE HA 1.0 1.8 5.0 257 251 B 35 LEU H B 31 SER HA 1.0 1.8 5.0 258 252 B 57 ARG H B 53 PRO HA 1.0 1.8 5.0 259 253 B 60 LEU H B 56 LEU HA 1.0 1.8 5.0 260 254 B 61 SER H B 57 ARG HA 1.0 1.8 5.0 261 255 B 63 LEU H B 59 LYS HA 1.0 1.8 5.0 262 256 B 64 ALA H B 60 LEU HA 1.0 1.8 5.0 263 257 B 66 ALA H B 62 GLU HA 1.0 1.8 5.0 264 258 B 67 LYS H B 63 LEU HA 1.0 1.8 5.0 265 259 B 68 GLY H B 64 ALA HA 1.0 1.8 5.0 266 260 B 69 GLY H B 65 ASP HA 1.0 1.8 5.0 267 261 A 23 GLU H A 22 ALA HB% 1.0 1.8 5.0 268 262 A 24 GLN H A 23 GLU HBy 1.0 1.8 5.0 269 262 A 24 GLN H A 23 GLU HBx 1.0 1.8 5.0 270 263 A 25 VAL HB A 26 SER H 1.0 1.8 4.0 271 264 A 27 LYS H A 26 SER HB2 1.0 1.8 5.0 272 264 A 27 LYS H A 26 SER HB3 1.0 1.8 5.0 273 265 A 28 GLN H A 27 LYS HBy 1.0 1.8 4.0 274 265 A 28 GLN H A 27 LYS HBx 1.0 1.8 4.0 275 266 A 30 ILE H A 29 GLU HBy 1.0 1.8 6.0 276 266 A 30 ILE H A 29 GLU HBx 1.0 1.8 6.0 277 267 A 31 SER H A 30 ILE HB 1.0 1.8 5.0 278 268 A 32 HIS H A 31 SER HB2 1.0 1.8 5.0 279 268 A 32 HIS H A 31 SER HB3 1.0 1.8 5.0 280 269 A 33 PHE H A 32 HIS HB2 1.0 1.8 5.0 281 269 A 33 PHE H A 32 HIS HB3 1.0 1.8 5.0 282 270 A 34 LYS H A 33 PHE HBx 1.0 1.8 5.0 283 270 A 34 LYS H A 33 PHE HBy 1.0 1.8 5.0 284 271 A 35 LEU H A 34 LYS HBy 1.0 1.8 5.0 285 271 A 35 LEU H A 34 LYS HBx 1.0 1.8 5.0 286 272 A 36 VAL H A 35 LEU HB2 1.0 1.8 5.0 287 272 A 36 VAL H A 35 LEU HB3 1.0 1.8 5.0 288 273 A 37 LYS H A 36 VAL HB 1.0 1.8 5.0 289 274 A 39 GLY H A 38 VAL HB 1.0 1.8 5.0 290 275 A 41 ILE H A 40 THR HB 1.0 1.8 5.0 291 276 A 42 ASN H A 41 ILE HB 1.0 1.8 5.0 292 277 A 43 VAL H A 42 ASN HB2 1.0 1.8 5.0 293 277 A 43 VAL H A 42 ASN HB3 1.0 1.8 5.0 294 278 A 45 GLN H A 44 SER HB2 1.0 1.8 5.0 295 278 A 45 GLN H A 44 SER HB3 1.0 1.8 5.0 296 279 A 46 SER H A 45 GLN HBy 1.0 1.8 5.0 297 279 A 46 SER H A 45 GLN HBx 1.0 1.8 5.0 298 280 A 50 ILE H A 49 GLN HB2 1.0 1.8 5.0 299 280 A 50 ILE H A 49 GLN HB3 1.0 1.8 5.0 300 281 A 51 SER H A 50 ILE HB 1.0 1.8 5.0 301 282 A 52 SER H A 51 SER HBy 1.0 1.8 5.0 302 282 A 52 SER H A 51 SER HBx 1.0 1.8 5.0 303 283 A 55 ASP H A 54 SER HBy 1.0 1.8 5.0 304 283 A 55 ASP H A 54 SER HBx 1.0 1.8 5.0 305 284 A 56 LEU H A 55 ASP HBy 1.0 1.8 5.0 306 284 A 56 LEU H A 55 ASP HBx 1.0 1.8 5.0 307 285 A 57 ARG H A 56 LEU HB2 1.0 1.8 5.0 308 285 A 57 ARG H A 56 LEU HB3 1.0 1.8 5.0 309 286 A 58 GLU H A 57 ARG HBy 1.0 1.8 5.0 310 286 A 58 GLU H A 57 ARG HBx 1.0 1.8 5.0 311 287 A 59 LYS H A 58 GLU HB2 1.0 1.8 5.0 312 287 A 59 LYS H A 58 GLU HB3 1.0 1.8 5.0 313 288 A 60 LEU H A 59 LYS HBy 1.0 1.8 5.0 314 288 A 60 LEU H A 59 LYS HBx 1.0 1.8 5.0 315 289 A 61 SER H A 60 LEU HB2 1.0 1.8 5.0 316 289 A 61 SER H A 60 LEU HB3 1.0 1.8 5.0 317 290 A 62 GLU H A 61 SER HBx 1.0 1.8 5.0 318 290 A 62 GLU H A 61 SER HBy 1.0 1.8 5.0 319 291 A 63 LEU H A 62 GLU HBy 1.0 1.8 5.0 320 291 A 63 LEU H A 62 GLU HBx 1.0 1.8 5.0 321 292 A 64 ALA H A 63 LEU HBy 1.0 1.8 5.0 322 292 A 64 ALA H A 63 LEU HBx 1.0 1.8 5.0 323 293 A 65 ASP H A 64 ALA HB% 1.0 1.8 5.0 324 294 A 66 ALA H A 65 ASP HBy 1.0 1.8 5.0 325 294 A 66 ALA H A 65 ASP HBx 1.0 1.8 5.0 326 295 A 66 ALA H A 65 ASP HBy 1.0 1.8 5.0 327 295 A 66 ALA H A 65 ASP HBx 1.0 1.8 5.0 328 296 A 67 LYS H A 66 ALA HB% 1.0 1.8 5.0 329 297 A 68 GLY H A 67 LYS HBy 1.0 1.8 5.0 330 297 A 68 GLY H A 67 LYS HBx 1.0 1.8 5.0 331 298 A 71 TYR H A 70 LYS HB2 1.0 1.8 5.0 332 298 A 71 TYR H A 70 LYS HB3 1.0 1.8 5.0 333 299 A 72 TYR H A 71 TYR HBy 1.0 1.8 5.0 334 299 A 72 TYR H A 71 TYR HBx 1.0 1.8 5.0 335 300 A 73 HIS H A 72 TYR HB2 1.0 1.8 5.0 336 300 A 73 HIS H A 72 TYR HB3 1.0 1.8 5.0 337 301 A 75 ILE H A 74 ILE HB 1.0 1.8 5.0 338 302 A 76 ALA H A 75 ILE HB 1.0 1.8 5.0 339 303 A 77 ALA H A 76 ALA HB% 1.0 1.8 5.0 340 304 A 78 ARG H A 77 ALA HB% 1.0 1.8 5.0 341 305 A 79 GLU H A 78 ARG HB2 1.0 1.8 5.0 342 305 A 79 GLU H A 78 ARG HB3 1.0 1.8 5.0 343 306 A 80 HIS H A 79 GLU HBy 1.0 1.8 5.0 344 306 A 80 HIS H A 79 GLU HBx 1.0 1.8 5.0 345 307 A 84 PHE H A 83 ASN HB2 1.0 1.8 5.0 346 307 A 84 PHE H A 83 ASN HB3 1.0 1.8 5.0 347 308 A 86 ALA H A 85 GLU HBy 1.0 1.8 5.0 348 308 A 86 ALA H A 85 GLU HBx 1.0 1.8 5.0 349 309 A 88 ALA H A 87 VAL HB 1.0 1.8 5.0 350 310 A 89 GLU H A 88 ALA HB% 1.0 1.8 5.0 351 311 A 90 VAL H A 89 GLU HB2 1.0 1.8 5.0 352 311 A 90 VAL H A 89 GLU HB3 1.0 1.8 5.0 353 312 A 91 TYR H A 90 VAL HB 1.0 1.8 5.0 354 313 A 92 ASN H A 91 TYR HBy 1.0 1.8 5.0 355 313 A 92 ASN H A 91 TYR HBx 1.0 1.8 5.0 356 314 A 93 ASP H A 92 ASN HB2 1.0 1.8 5.0 357 314 A 93 ASP H A 92 ASN HB3 1.0 1.8 5.0 358 315 A 94 ALA H A 93 ASP HBy 1.0 1.8 5.0 359 315 A 94 ALA H A 93 ASP HBx 1.0 1.8 5.0 360 316 A 95 THR H A 94 ALA HB% 1.0 1.8 5.0 361 317 A 95 THR HB A 96 LYS H 1.0 1.8 5.0 362 318 B 23 GLU H B 22 ALA HB1 1.0 1.8 5.0 363 319 B 24 GLN H B 23 GLU HBx 1.0 1.8 5.0 364 319 B 24 GLN H B 23 GLU HBy 1.0 1.8 5.0 365 320 B 25 VAL HB B 26 SER H 1.0 1.8 4.0 366 321 B 27 LYS H B 26 SER HBx 1.0 1.8 5.0 367 321 B 27 LYS H B 26 SER HBy 1.0 1.8 5.0 368 322 B 28 GLN H B 27 LYS HBx 1.0 1.8 4.0 369 322 B 28 GLN H B 27 LYS HBy 1.0 1.8 4.0 370 323 B 30 ILE H B 29 GLU HBx 1.0 1.8 6.0 371 323 B 30 ILE H B 29 GLU HBy 1.0 1.8 6.0 372 324 B 31 SER H B 30 ILE HB 1.0 1.8 5.0 373 325 B 32 HIS H B 31 SER HBx 1.0 1.8 5.0 374 325 B 32 HIS H B 31 SER HBy 1.0 1.8 5.0 375 326 B 33 PHE H B 32 HIS HBx 1.0 1.8 5.0 376 326 B 33 PHE H B 32 HIS HBy 1.0 1.8 5.0 377 327 B 34 LYS H B 33 PHE HBx 1.0 1.8 5.0 378 327 B 34 LYS H B 33 PHE HBy 1.0 1.8 5.0 379 328 B 35 LEU H B 34 LYS HBx 1.0 1.8 5.0 380 328 B 35 LEU H B 34 LYS HBy 1.0 1.8 5.0 381 329 B 36 VAL H B 35 LEU HBx 1.0 1.8 5.0 382 329 B 36 VAL H B 35 LEU HBy 1.0 1.8 5.0 383 330 B 37 LYS H B 36 VAL HB 1.0 1.8 5.0 384 331 B 39 GLY H B 38 VAL HB 1.0 1.8 5.0 385 332 B 41 ILE H B 40 THR HB 1.0 1.8 5.0 386 333 B 42 ASN H B 41 ILE HB 1.0 1.8 5.0 387 334 B 43 VAL H B 42 ASN HBx 1.0 1.8 5.0 388 334 B 43 VAL H B 42 ASN HBy 1.0 1.8 5.0 389 335 B 45 GLN H B 44 SER HBx 1.0 1.8 5.0 390 335 B 45 GLN H B 44 SER HBy 1.0 1.8 5.0 391 336 B 46 SER H B 45 GLN HBx 1.0 1.8 5.0 392 336 B 46 SER H B 45 GLN HBy 1.0 1.8 5.0 393 337 B 50 ILE H B 49 GLN HBx 1.0 1.8 5.0 394 337 B 50 ILE H B 49 GLN HBy 1.0 1.8 5.0 395 338 B 51 SER H B 50 ILE HB 1.0 1.8 5.0 396 339 B 52 SER H B 51 SER HBx 1.0 1.8 5.0 397 339 B 52 SER H B 51 SER HBy 1.0 1.8 5.0 398 340 B 55 ASP H B 54 SER HBx 1.0 1.8 5.0 399 340 B 55 ASP H B 54 SER HBy 1.0 1.8 5.0 400 341 B 56 LEU H B 55 ASP HBx 1.0 1.8 5.0 401 341 B 56 LEU H B 55 ASP HBy 1.0 1.8 5.0 402 342 B 57 ARG H B 56 LEU HBx 1.0 1.8 5.0 403 342 B 57 ARG H B 56 LEU HBy 1.0 1.8 5.0 404 343 B 58 GLU H B 57 ARG HBx 1.0 1.8 5.0 405 343 B 58 GLU H B 57 ARG HBy 1.0 1.8 5.0 406 344 B 59 LYS H B 58 GLU HBx 1.0 1.8 5.0 407 344 B 59 LYS H B 58 GLU HBy 1.0 1.8 5.0 408 345 B 60 LEU H B 59 LYS HBx 1.0 1.8 5.0 409 345 B 60 LEU H B 59 LYS HBy 1.0 1.8 5.0 410 346 B 61 SER H B 60 LEU HBx 1.0 1.8 5.0 411 346 B 61 SER H B 60 LEU HBy 1.0 1.8 5.0 412 347 B 62 GLU H B 61 SER HBx 1.0 1.8 5.0 413 347 B 62 GLU H B 61 SER HBy 1.0 1.8 5.0 414 348 B 63 LEU H B 62 GLU HBx 1.0 1.8 5.0 415 348 B 63 LEU H B 62 GLU HBy 1.0 1.8 5.0 416 349 B 64 ALA H B 63 LEU HBx 1.0 1.8 5.0 417 349 B 64 ALA H B 63 LEU HBy 1.0 1.8 5.0 418 350 B 65 ASP H B 64 ALA HB1 1.0 1.8 5.0 419 351 B 66 ALA H B 65 ASP HBx 1.0 1.8 5.0 420 351 B 66 ALA H B 65 ASP HBy 1.0 1.8 5.0 421 352 B 66 ALA H B 65 ASP HBx 1.0 1.8 5.0 422 352 B 66 ALA H B 65 ASP HBy 1.0 1.8 5.0 423 353 B 67 LYS H B 66 ALA HB1 1.0 1.8 5.0 424 354 B 68 GLY H B 67 LYS HBx 1.0 1.8 5.0 425 354 B 68 GLY H B 67 LYS HBy 1.0 1.8 5.0 426 355 B 71 TYR H B 70 LYS HBx 1.0 1.8 5.0 427 355 B 71 TYR H B 70 LYS HBy 1.0 1.8 5.0 428 356 B 72 TYR H B 71 TYR HBx 1.0 1.8 5.0 429 356 B 72 TYR H B 71 TYR HBy 1.0 1.8 5.0 430 357 B 73 HIS H B 72 TYR HBx 1.0 1.8 5.0 431 357 B 73 HIS H B 72 TYR HBy 1.0 1.8 5.0 432 358 B 75 ILE H B 74 ILE HB 1.0 1.8 5.0 433 359 B 76 ALA H B 75 ILE HB 1.0 1.8 5.0 434 360 B 77 ALA H B 76 ALA HB1 1.0 1.8 5.0 435 361 B 78 ARG H B 77 ALA HB1 1.0 1.8 5.0 436 362 B 79 GLU H B 78 ARG HBx 1.0 1.8 5.0 437 362 B 79 GLU H B 78 ARG HBy 1.0 1.8 5.0 438 363 B 80 HIS H B 79 GLU HBx 1.0 1.8 5.0 439 363 B 80 HIS H B 79 GLU HBy 1.0 1.8 5.0 440 364 B 84 PHE H B 83 ASN HBx 1.0 1.8 5.0 441 364 B 84 PHE H B 83 ASN HBy 1.0 1.8 5.0 442 365 B 86 ALA H B 85 GLU HBx 1.0 1.8 5.0 443 365 B 86 ALA H B 85 GLU HBy 1.0 1.8 5.0 444 366 B 88 ALA H B 87 VAL HB 1.0 1.8 5.0 445 367 B 89 GLU H B 88 ALA HB1 1.0 1.8 5.0 446 368 B 90 VAL H B 89 GLU HBx 1.0 1.8 5.0 447 368 B 90 VAL H B 89 GLU HBy 1.0 1.8 5.0 448 369 B 91 TYR H B 90 VAL HB 1.0 1.8 5.0 449 370 B 92 ASN H B 91 TYR HBx 1.0 1.8 5.0 450 370 B 92 ASN H B 91 TYR HBy 1.0 1.8 5.0 451 371 B 93 ASP H B 92 ASN HBx 1.0 1.8 5.0 452 371 B 93 ASP H B 92 ASN HBy 1.0 1.8 5.0 453 372 B 94 ALA H B 93 ASP HBx 1.0 1.8 5.0 454 372 B 94 ALA H B 93 ASP HBy 1.0 1.8 5.0 455 373 B 95 THR H B 94 ALA HB1 1.0 1.8 5.0 456 374 B 95 THR HB B 96 LYS H 1.0 1.8 5.0 457 375 A 24 GLN H A 23 GLU HGy 1.0 1.8 5.0 458 375 A 24 GLN H A 23 GLU HGx 1.0 1.8 5.0 459 376 A 25 VAL H A 24 GLN HGy 1.0 1.8 4.0 460 376 A 25 VAL H A 24 GLN HGx 1.0 1.8 4.0 461 377 A 26 SER H A 25 VAL HG1% 1.0 1.8 5.0 462 378 A 26 SER H A 25 VAL HG2% 1.0 1.8 5.0 463 379 A 28 GLN H A 27 LYS HGy 1.0 1.8 5.0 464 379 A 28 GLN H A 27 LYS HGx 1.0 1.8 5.0 465 380 A 31 SER H A 30 ILE HD1% 1.0 1.8 5.0 466 381 A 31 SER H A 30 ILE HG1x 1.0 1.8 5.0 467 381 A 31 SER H A 30 ILE HG1y 1.0 1.8 5.0 468 382 A 31 SER H A 30 ILE HG2% 1.0 1.8 5.0 469 383 A 35 LEU H A 34 LYS HDy 1.0 1.8 5.0 470 383 A 35 LEU H A 34 LYS HDx 1.0 1.8 5.0 471 384 A 35 LEU H A 34 LYS HG2 1.0 1.8 5.0 472 384 A 35 LEU H A 34 LYS HG3 1.0 1.8 5.0 473 385 A 36 VAL H A 35 LEU HD1% 1.0 1.8 5.0 474 386 A 36 VAL H A 35 LEU HD2% 1.0 1.8 5.0 475 387 A 37 LYS H A 36 VAL HG1% 1.0 1.8 5.0 476 388 A 37 LYS H A 36 VAL HG2% 1.0 1.8 5.0 477 389 A 38 VAL H A 37 LYS HGy 1.0 1.8 5.0 478 389 A 38 VAL H A 37 LYS HGx 1.0 1.8 5.0 479 390 A 39 GLY H A 38 VAL HG1% 1.0 1.8 5.0 480 391 A 39 GLY H A 38 VAL HG2% 1.0 1.8 5.0 481 392 A 41 ILE H A 40 THR HG2% 1.0 1.8 5.0 482 393 A 42 ASN H A 41 ILE HG2% 1.0 1.8 4.0 483 394 A 44 SER H A 43 VAL HG1% 1.0 1.8 5.0 484 395 A 44 SER H A 43 VAL HG2% 1.0 1.8 5.0 485 396 A 46 SER H A 45 GLN HG2 1.0 1.8 5.0 486 396 A 46 SER H A 45 GLN HG3 1.0 1.8 5.0 487 397 A 50 ILE H A 49 GLN HG2 1.0 1.8 5.0 488 397 A 50 ILE H A 49 GLN HG3 1.0 1.8 5.0 489 398 A 51 SER H A 50 ILE HD1% 1.0 1.8 5.0 490 399 A 51 SER H A 50 ILE HG1y 1.0 1.8 5.0 491 399 A 51 SER H A 50 ILE HG1x 1.0 1.8 5.0 492 400 A 51 SER H A 50 ILE HG2% 1.0 1.8 5.0 493 401 A 57 ARG H A 56 LEU HD1% 1.0 1.8 5.0 494 402 A 57 ARG H A 56 LEU HD2% 1.0 1.8 5.0 495 403 A 58 GLU H A 57 ARG HGy 1.0 1.8 5.0 496 403 A 58 GLU H A 57 ARG HGx 1.0 1.8 5.0 497 404 A 59 LYS H A 58 GLU HGy 1.0 1.8 5.0 498 404 A 59 LYS H A 58 GLU HGx 1.0 1.8 5.0 499 405 A 60 LEU H A 59 LYS HGy 1.0 1.8 5.0 500 405 A 60 LEU H A 59 LYS HGx 1.0 1.8 5.0 501 406 A 61 SER H A 60 LEU HD1% 1.0 1.8 5.0 502 407 A 61 SER H A 60 LEU HD2% 1.0 1.8 5.0 503 408 A 61 SER H A 60 LEU HG 1.0 1.8 5.0 504 409 A 63 LEU H A 62 GLU HGy 1.0 1.8 5.0 505 409 A 63 LEU H A 62 GLU HGx 1.0 1.8 5.0 506 410 A 64 ALA H A 63 LEU HD1% 1.0 1.8 5.0 507 411 A 64 ALA H A 63 LEU HD2% 1.0 1.8 5.0 508 412 A 64 ALA H A 63 LEU HG 1.0 1.8 5.0 509 413 A 68 GLY H A 67 LYS HD2 1.0 1.8 5.0 510 413 A 68 GLY H A 67 LYS HD3 1.0 1.8 5.0 511 414 A 68 GLY H A 67 LYS HGy 1.0 1.8 5.0 512 414 A 68 GLY H A 67 LYS HGx 1.0 1.8 5.0 513 415 A 71 TYR H A 70 LYS HGy 1.0 1.8 5.0 514 415 A 71 TYR H A 70 LYS HGx 1.0 1.8 5.0 515 416 A 73 HIS H A 72 TYR HD% 1.0 1.8 5.0 516 417 A 75 ILE H A 74 ILE HD1% 1.0 1.8 6.0 517 418 A 75 ILE H A 74 ILE HG1y 1.0 1.8 5.0 518 418 A 75 ILE H A 74 ILE HG1x 1.0 1.8 5.0 519 419 A 75 ILE H A 74 ILE HG2% 1.0 1.8 5.0 520 420 A 76 ALA H A 75 ILE HD1% 1.0 1.8 5.0 521 421 A 76 ALA H A 75 ILE HG1y 1.0 1.8 5.0 522 421 A 76 ALA H A 75 ILE HG1x 1.0 1.8 5.0 523 422 A 76 ALA H A 75 ILE HG2% 1.0 1.8 5.0 524 423 A 79 GLU H A 78 ARG HD2 1.0 1.8 5.0 525 423 A 79 GLU H A 78 ARG HD3 1.0 1.8 5.0 526 424 A 79 GLU H A 78 ARG HGy 1.0 1.8 5.0 527 424 A 79 GLU H A 78 ARG HGx 1.0 1.8 5.0 528 425 A 80 HIS H A 79 GLU HG2 1.0 1.8 5.0 529 425 A 80 HIS H A 79 GLU HG3 1.0 1.8 5.0 530 426 A 83 ASN H A 82 PRO HDy 1.0 1.8 5.0 531 426 A 83 ASN H A 82 PRO HDx 1.0 1.8 5.0 532 427 A 83 ASN H A 82 PRO HGy 1.0 1.8 5.0 533 427 A 83 ASN H A 82 PRO HGx 1.0 1.8 5.0 534 428 A 85 GLU H A 84 PHE HD% 1.0 1.8 5.0 535 429 A 85 GLU H A 84 PHE HE% 1.0 1.8 5.0 536 430 A 86 ALA H A 85 GLU HG2 1.0 1.8 5.0 537 430 A 86 ALA H A 85 GLU HG3 1.0 1.8 5.0 538 431 A 88 ALA H A 87 VAL HG1% 1.0 1.8 4.0 539 432 A 88 ALA H A 87 VAL HG2% 1.0 1.8 5.0 540 433 A 90 VAL H A 89 GLU HGy 1.0 1.8 5.0 541 433 A 90 VAL H A 89 GLU HGx 1.0 1.8 5.0 542 434 A 91 TYR H A 90 VAL HG1% 1.0 1.8 4.0 543 435 A 91 TYR H A 90 VAL HG2% 1.0 1.8 5.0 544 436 A 92 ASN H A 91 TYR HD% 1.0 1.8 5.0 545 437 A 93 ASP H A 92 ASN HD2y 1.0 1.8 5.0 546 437 A 93 ASP H A 92 ASN HD2x 1.0 1.8 5.0 547 438 A 96 LYS H A 95 THR HG2% 1.0 1.8 5.0 548 439 B 24 GLN H B 23 GLU HGx 1.0 1.8 5.0 549 439 B 24 GLN H B 23 GLU HGy 1.0 1.8 5.0 550 440 B 25 VAL H B 24 GLN HGx 1.0 1.8 4.0 551 440 B 25 VAL H B 24 GLN HGy 1.0 1.8 4.0 552 441 B 26 SER H B 25 VAL HG11 1.0 1.8 5.0 553 442 B 26 SER H B 25 VAL HG21 1.0 1.8 5.0 554 443 B 28 GLN H B 27 LYS HGx 1.0 1.8 5.0 555 443 B 28 GLN H B 27 LYS HGy 1.0 1.8 5.0 556 444 B 31 SER H B 30 ILE HD11 1.0 1.8 5.0 557 445 B 31 SER H B 30 ILE HG1x 1.0 1.8 5.0 558 445 B 31 SER H B 30 ILE HG1y 1.0 1.8 5.0 559 446 B 31 SER H B 30 ILE HG21 1.0 1.8 5.0 560 447 B 35 LEU H B 34 LYS HDx 1.0 1.8 5.0 561 447 B 35 LEU H B 34 LYS HDy 1.0 1.8 5.0 562 448 B 35 LEU H B 34 LYS HGx 1.0 1.8 5.0 563 448 B 35 LEU H B 34 LYS HGy 1.0 1.8 5.0 564 449 B 36 VAL H B 35 LEU HD11 1.0 1.8 5.0 565 450 B 36 VAL H B 35 LEU HD21 1.0 1.8 5.0 566 451 B 37 LYS H B 36 VAL HG11 1.0 1.8 5.0 567 452 B 37 LYS H B 36 VAL HG21 1.0 1.8 5.0 568 453 B 38 VAL H B 37 LYS HGy 1.0 1.8 5.0 569 453 B 38 VAL H B 37 LYS HGx 1.0 1.8 5.0 570 454 B 39 GLY H B 38 VAL HG11 1.0 1.8 5.0 571 455 B 39 GLY H B 38 VAL HG21 1.0 1.8 5.0 572 456 B 41 ILE H B 40 THR HG21 1.0 1.8 5.0 573 457 B 42 ASN H B 41 ILE HG21 1.0 1.8 5.0 574 458 B 44 SER H B 43 VAL HG11 1.0 1.8 5.0 575 459 B 44 SER H B 43 VAL HG21 1.0 1.8 5.0 576 460 B 46 SER H B 45 GLN HGx 1.0 1.8 5.0 577 460 B 46 SER H B 45 GLN HGy 1.0 1.8 5.0 578 461 B 50 ILE H B 49 GLN HGx 1.0 1.8 5.0 579 461 B 50 ILE H B 49 GLN HGy 1.0 1.8 5.0 580 462 B 51 SER H B 50 ILE HD11 1.0 1.8 5.0 581 463 B 51 SER H B 50 ILE HG1x 1.0 1.8 5.0 582 463 B 51 SER H B 50 ILE HG1y 1.0 1.8 5.0 583 464 B 51 SER H B 50 ILE HG21 1.0 1.8 5.0 584 465 B 57 ARG H B 56 LEU HD11 1.0 1.8 5.0 585 466 B 57 ARG H B 56 LEU HD21 1.0 1.8 5.0 586 467 B 58 GLU H B 57 ARG HGx 1.0 1.8 5.0 587 467 B 58 GLU H B 57 ARG HGy 1.0 1.8 5.0 588 468 B 59 LYS H B 58 GLU HGx 1.0 1.8 5.0 589 468 B 59 LYS H B 58 GLU HGy 1.0 1.8 5.0 590 469 B 60 LEU H B 59 LYS HGx 1.0 1.8 5.0 591 469 B 60 LEU H B 59 LYS HGy 1.0 1.8 5.0 592 470 B 61 SER H B 60 LEU HD11 1.0 1.8 5.0 593 471 B 61 SER H B 60 LEU HD21 1.0 1.8 5.0 594 472 B 61 SER H B 60 LEU HG 1.0 1.8 5.0 595 473 B 63 LEU H B 62 GLU HGx 1.0 1.8 5.0 596 473 B 63 LEU H B 62 GLU HGy 1.0 1.8 5.0 597 474 B 64 ALA H B 63 LEU HD11 1.0 1.8 5.0 598 475 B 64 ALA H B 63 LEU HD21 1.0 1.8 5.0 599 476 B 64 ALA H B 63 LEU HG 1.0 1.8 5.0 600 477 B 68 GLY H B 67 LYS HDx 1.0 1.8 5.0 601 477 B 68 GLY H B 67 LYS HDy 1.0 1.8 5.0 602 478 B 68 GLY H B 67 LYS HGx 1.0 1.8 5.0 603 478 B 68 GLY H B 67 LYS HGy 1.0 1.8 5.0 604 479 B 71 TYR H B 70 LYS HGx 1.0 1.8 5.0 605 479 B 71 TYR H B 70 LYS HGy 1.0 1.8 5.0 606 480 B 73 HIS H B 72 TYR HD% 1.0 1.8 5.0 607 481 B 75 ILE H B 74 ILE HD11 1.0 1.8 6.0 608 482 B 75 ILE H B 74 ILE HG1x 1.0 1.8 5.0 609 482 B 75 ILE H B 74 ILE HG1y 1.0 1.8 5.0 610 483 B 75 ILE H B 74 ILE HG21 1.0 1.8 5.0 611 484 B 76 ALA H B 75 ILE HD11 1.0 1.8 5.0 612 485 B 76 ALA H B 75 ILE HG1x 1.0 1.8 5.0 613 485 B 76 ALA H B 75 ILE HG1y 1.0 1.8 5.0 614 486 B 76 ALA H B 75 ILE HG21 1.0 1.8 5.0 615 487 B 79 GLU H B 78 ARG HDx 1.0 1.8 5.0 616 487 B 79 GLU H B 78 ARG HDy 1.0 1.8 5.0 617 488 B 79 GLU H B 78 ARG HGx 1.0 1.8 5.0 618 488 B 79 GLU H B 78 ARG HGy 1.0 1.8 5.0 619 489 B 80 HIS H B 79 GLU HGx 1.0 1.8 5.0 620 489 B 80 HIS H B 79 GLU HGy 1.0 1.8 5.0 621 490 B 83 ASN H B 82 PRO HDx 1.0 1.8 5.0 622 490 B 83 ASN H B 82 PRO HDy 1.0 1.8 5.0 623 491 B 83 ASN H B 82 PRO HGx 1.0 1.8 5.0 624 491 B 83 ASN H B 82 PRO HGy 1.0 1.8 5.0 625 492 B 85 GLU H B 84 PHE HD% 1.0 1.8 5.0 626 493 B 85 GLU H B 84 PHE HE% 1.0 1.8 5.0 627 494 B 86 ALA H B 85 GLU HGx 1.0 1.8 5.0 628 494 B 86 ALA H B 85 GLU HGy 1.0 1.8 5.0 629 495 B 88 ALA H B 87 VAL HG11 1.0 1.8 4.0 630 496 B 88 ALA H B 87 VAL HG21 1.0 1.8 5.0 631 497 B 90 VAL H B 89 GLU HGx 1.0 1.8 5.0 632 497 B 90 VAL H B 89 GLU HGy 1.0 1.8 5.0 633 498 B 91 TYR H B 90 VAL HG11 1.0 1.8 4.0 634 499 B 91 TYR H B 90 VAL HG21 1.0 1.8 5.0 635 500 B 92 ASN H B 91 TYR HD% 1.0 1.8 5.0 636 501 B 93 ASP H B 92 ASN HD2x 1.0 1.8 5.0 637 501 B 93 ASP H B 92 ASN HD2y 1.0 1.8 5.0 638 502 B 96 LYS H B 95 THR HG21 1.0 1.8 5.0 639 503 A 28 GLN H A 26 SER HB2 1.0 1.8 5.0 640 503 A 28 GLN H A 26 SER HB3 1.0 1.8 5.0 641 504 A 39 GLY H A 37 LYS HBx 1.0 1.8 5.0 642 504 A 39 GLY H A 37 LYS HBy 1.0 1.8 5.0 643 505 A 54 SER H A 52 SER HBy 1.0 1.8 5.0 644 505 A 54 SER H A 52 SER HBx 1.0 1.8 5.0 645 506 A 56 LEU H A 54 SER HBy 1.0 1.8 5.0 646 506 A 56 LEU H A 54 SER HBx 1.0 1.8 5.0 647 507 A 58 GLU H A 56 LEU HB2 1.0 1.8 5.0 648 507 A 58 GLU H A 56 LEU HB3 1.0 1.8 5.0 649 508 A 62 GLU H A 60 LEU HB2 1.0 1.8 5.0 650 508 A 62 GLU H A 60 LEU HB3 1.0 1.8 5.0 651 509 A 64 ALA H A 62 GLU HBy 1.0 1.8 5.0 652 509 A 64 ALA H A 62 GLU HBx 1.0 1.8 5.0 653 510 A 66 ALA H A 64 ALA HB% 1.0 1.8 5.0 654 511 A 69 GLY H A 67 LYS HBy 1.0 1.8 5.0 655 511 A 69 GLY H A 67 LYS HBx 1.0 1.8 5.0 656 512 A 76 ALA H A 74 ILE HB 1.0 1.8 5.0 657 513 A 95 THR H A 93 ASP HBy 1.0 1.8 5.0 658 513 A 95 THR H A 93 ASP HBx 1.0 1.8 5.0 659 514 B 28 GLN H B 26 SER HBx 1.0 1.8 5.0 660 514 B 28 GLN H B 26 SER HBy 1.0 1.8 5.0 661 515 B 39 GLY H B 37 LYS HBy 1.0 1.8 5.0 662 515 B 39 GLY H B 37 LYS HBx 1.0 1.8 5.0 663 516 B 54 SER H B 52 SER HBx 1.0 1.8 5.0 664 516 B 54 SER H B 52 SER HBy 1.0 1.8 5.0 665 517 B 56 LEU H B 54 SER HBx 1.0 1.8 5.0 666 517 B 56 LEU H B 54 SER HBy 1.0 1.8 5.0 667 518 B 58 GLU H B 56 LEU HBx 1.0 1.8 5.0 668 518 B 58 GLU H B 56 LEU HBy 1.0 1.8 5.0 669 519 B 62 GLU H B 60 LEU HBx 1.0 1.8 5.0 670 519 B 62 GLU H B 60 LEU HBy 1.0 1.8 5.0 671 520 B 64 ALA H B 62 GLU HBx 1.0 1.8 5.0 672 520 B 64 ALA H B 62 GLU HBy 1.0 1.8 5.0 673 521 B 66 ALA H B 64 ALA HB1 1.0 1.8 5.0 674 522 B 69 GLY H B 67 LYS HBx 1.0 1.8 5.0 675 522 B 69 GLY H B 67 LYS HBy 1.0 1.8 5.0 676 523 B 76 ALA H B 74 ILE HB 1.0 1.8 5.0 677 524 B 95 THR H B 93 ASP HBx 1.0 1.8 5.0 678 524 B 95 THR H B 93 ASP HBy 1.0 1.8 5.0 679 525 A 39 GLY H A 37 LYS HD2 1.0 1.8 5.0 680 525 A 39 GLY H A 37 LYS HD3 1.0 1.8 5.0 681 526 A 39 GLY H A 37 LYS HEy 1.0 1.8 5.0 682 526 A 39 GLY H A 37 LYS HEx 1.0 1.8 5.0 683 527 A 39 GLY H A 37 LYS HGy 1.0 1.8 5.0 684 527 A 39 GLY H A 37 LYS HGx 1.0 1.8 5.0 685 528 A 42 ASN H A 40 THR HG2% 1.0 1.8 5.0 686 529 A 45 GLN H A 43 VAL HG1% 1.0 1.8 5.0 687 530 A 52 SER H A 50 ILE HD1% 1.0 1.8 6.0 688 531 A 52 SER H A 50 ILE HG2% 1.0 1.8 5.0 689 532 A 69 GLY H A 67 LYS HGy 1.0 1.8 6.0 690 532 A 69 GLY H A 67 LYS HGx 1.0 1.8 6.0 691 533 A 74 ILE H A 72 TYR HD% 1.0 1.8 6.0 692 534 A 76 ALA H A 74 ILE HG2% 1.0 1.8 5.0 693 535 A 86 ALA H A 84 PHE HD% 1.0 1.8 5.0 694 536 A 86 ALA H A 84 PHE HE% 1.0 1.8 5.0 695 537 B 39 GLY H B 37 LYS HDx 1.0 1.8 5.0 696 537 B 39 GLY H B 37 LYS HDy 1.0 1.8 5.0 697 538 B 39 GLY H B 37 LYS HEx 1.0 1.8 5.0 698 538 B 39 GLY H B 37 LYS HEy 1.0 1.8 5.0 699 539 B 39 GLY H B 37 LYS HGy 1.0 1.8 5.0 700 539 B 39 GLY H B 37 LYS HGx 1.0 1.8 5.0 701 540 B 42 ASN H B 40 THR HG21 1.0 1.8 5.0 702 541 B 45 GLN H B 43 VAL HG11 1.0 1.8 5.0 703 542 B 52 SER H B 50 ILE HD11 1.0 1.8 6.0 704 543 B 52 SER H B 50 ILE HG21 1.0 1.8 5.0 705 544 B 69 GLY H B 67 LYS HGx 1.0 1.8 5.0 706 544 B 69 GLY H B 67 LYS HGy 1.0 1.8 5.0 707 545 B 74 ILE H B 72 TYR HD% 1.0 1.8 6.0 708 546 B 76 ALA H B 74 ILE HG21 1.0 1.8 6.0 709 547 B 86 ALA H B 84 PHE HD% 1.0 1.8 5.0 710 548 B 86 ALA H B 84 PHE HE% 1.0 1.8 5.0 711 549 A 29 GLU H A 26 SER HB2 1.0 1.8 6.0 712 549 A 29 GLU H A 26 SER HB3 1.0 1.8 6.0 713 550 A 55 ASP H A 52 SER HBy 1.0 1.8 6.0 714 550 A 55 ASP H A 52 SER HBx 1.0 1.8 6.0 715 551 B 29 GLU H B 26 SER HBx 1.0 1.8 6.0 716 551 B 29 GLU H B 26 SER HBy 1.0 1.8 6.0 717 552 B 55 ASP H B 52 SER HBx 1.0 1.8 6.0 718 552 B 55 ASP H B 52 SER HBy 1.0 1.8 6.0 719 553 A 59 LYS H A 56 LEU HD1% 1.0 1.8 6.0 720 554 A 66 ALA H A 63 LEU HD2% 1.0 1.8 6.0 721 555 A 77 ALA H A 74 ILE HG2% 1.0 1.8 6.0 722 556 B 59 LYS H B 56 LEU HD11 1.0 1.8 6.0 723 557 B 66 ALA H B 63 LEU HD21 1.0 1.8 6.0 724 558 B 77 ALA H B 74 ILE HG21 1.0 1.8 6.0 725 559 A 49 GLN H A 45 GLN HG2 1.0 1.8 5.0 726 559 A 49 GLN H A 45 GLN HG3 1.0 1.8 5.0 727 560 A 60 LEU H A 56 LEU HD1% 1.0 1.8 5.0 728 561 A 66 ALA H A 62 GLU HGy 1.0 1.8 5.0 729 561 A 66 ALA H A 62 GLU HGx 1.0 1.8 5.0 730 562 A 83 ASN H A 79 GLU HG2 1.0 1.8 6.0 731 562 A 83 ASN H A 79 GLU HG3 1.0 1.8 6.0 732 563 B 49 GLN H B 45 GLN HGx 1.0 1.8 5.0 733 563 B 49 GLN H B 45 GLN HGy 1.0 1.8 5.0 734 564 B 60 LEU H B 56 LEU HD11 1.0 1.8 5.0 735 565 B 66 ALA H B 62 GLU HGx 1.0 1.8 5.0 736 565 B 66 ALA H B 62 GLU HGy 1.0 1.8 5.0 737 566 B 83 ASN H B 79 GLU HGx 1.0 1.8 6.0 738 566 B 83 ASN H B 79 GLU HGy 1.0 1.8 6.0 739 567 A 27 LYS HA A 30 ILE HB 1.0 1.8 5.0 740 568 A 29 GLU HA A 32 HIS HB2 1.0 1.8 5.0 741 568 A 29 GLU HA A 32 HIS HB3 1.0 1.8 5.0 742 569 A 53 PRO HA A 56 LEU HB2 1.0 1.8 5.0 743 569 A 53 PRO HA A 56 LEU HB3 1.0 1.8 5.0 744 570 A 54 SER HA A 57 ARG HBy 1.0 1.8 5.0 745 570 A 54 SER HA A 57 ARG HBx 1.0 1.8 5.0 746 571 A 55 ASP HA A 58 GLU HB2 1.0 1.8 5.0 747 571 A 55 ASP HA A 58 GLU HB3 1.0 1.8 5.0 748 572 A 56 LEU HA A 59 LYS HBy 1.0 1.8 5.0 749 572 A 56 LEU HA A 59 LYS HBx 1.0 1.8 5.0 750 573 A 57 ARG HA A 60 LEU HB2 1.0 1.8 5.0 751 573 A 57 ARG HA A 60 LEU HB3 1.0 1.8 5.0 752 574 A 59 LYS HA A 62 GLU HBy 1.0 1.8 5.0 753 574 A 59 LYS HA A 62 GLU HBx 1.0 1.8 5.0 754 575 A 60 LEU HA A 63 LEU HBy 1.0 1.8 5.0 755 575 A 60 LEU HA A 63 LEU HBx 1.0 1.8 5.0 756 576 A 61 SER HA A 64 ALA HB% 1.0 1.8 5.0 757 577 A 62 GLU HA A 65 ASP HBy 1.0 1.8 5.0 758 577 A 62 GLU HA A 65 ASP HBx 1.0 1.8 5.0 759 578 A 63 LEU HA A 66 ALA HB% 1.0 1.8 5.0 760 579 A 64 ALA HA A 67 LYS HBy 1.0 1.8 5.0 761 579 A 64 ALA HA A 67 LYS HBx 1.0 1.8 5.0 762 580 B 27 LYS HA B 30 ILE HB 1.0 1.8 5.0 763 581 B 29 GLU HA B 32 HIS HBx 1.0 1.8 5.0 764 581 B 29 GLU HA B 32 HIS HBy 1.0 1.8 5.0 765 582 B 53 PRO HA B 56 LEU HBx 1.0 1.8 5.0 766 582 B 53 PRO HA B 56 LEU HBy 1.0 1.8 5.0 767 583 B 54 SER HA B 57 ARG HBx 1.0 1.8 5.0 768 583 B 54 SER HA B 57 ARG HBy 1.0 1.8 5.0 769 584 B 55 ASP HA B 58 GLU HBx 1.0 1.8 5.0 770 584 B 55 ASP HA B 58 GLU HBy 1.0 1.8 5.0 771 585 B 56 LEU HA B 59 LYS HBx 1.0 1.8 5.0 772 585 B 56 LEU HA B 59 LYS HBy 1.0 1.8 5.0 773 586 B 57 ARG HA B 60 LEU HBx 1.0 1.8 5.0 774 586 B 57 ARG HA B 60 LEU HBy 1.0 1.8 5.0 775 587 B 59 LYS HA B 62 GLU HBx 1.0 1.8 5.0 776 587 B 59 LYS HA B 62 GLU HBy 1.0 1.8 5.0 777 588 B 60 LEU HA B 63 LEU HBx 1.0 1.8 5.0 778 588 B 60 LEU HA B 63 LEU HBy 1.0 1.8 5.0 779 589 B 61 SER HA B 64 ALA HB1 1.0 1.8 5.0 780 590 B 62 GLU HA B 65 ASP HBx 1.0 1.8 5.0 781 590 B 62 GLU HA B 65 ASP HBy 1.0 1.8 5.0 782 591 B 63 LEU HA B 66 ALA HB1 1.0 1.8 5.0 783 592 B 64 ALA HA B 67 LYS HBx 1.0 1.8 5.0 784 592 B 64 ALA HA B 67 LYS HBy 1.0 1.8 5.0 785 593 A 27 LYS HA A 30 ILE HD1% 1.0 1.8 5.0 786 594 A 27 LYS HA A 30 ILE HG1x 1.0 1.8 5.0 787 594 A 27 LYS HA A 30 ILE HG1y 1.0 1.8 5.0 788 595 A 27 LYS HA A 30 ILE HG2% 1.0 1.8 5.0 789 596 A 31 SER HA A 34 LYS HDy 1.0 1.8 5.0 790 596 A 31 SER HA A 34 LYS HDx 1.0 1.8 5.0 791 597 A 53 PRO HA A 56 LEU HD2% 1.0 1.8 5.0 792 598 A 54 SER HA A 57 ARG HGy 1.0 1.8 5.0 793 598 A 54 SER HA A 57 ARG HGx 1.0 1.8 5.0 794 599 A 55 ASP HA A 58 GLU HGy 1.0 1.8 5.0 795 599 A 55 ASP HA A 58 GLU HGx 1.0 1.8 5.0 796 600 A 56 LEU HA A 59 LYS HGy 1.0 1.8 5.0 797 600 A 56 LEU HA A 59 LYS HGx 1.0 1.8 5.0 798 601 A 57 ARG HA A 60 LEU HD1% 1.0 1.8 5.0 799 602 A 59 LYS HA A 62 GLU HGy 1.0 1.8 5.0 800 602 A 59 LYS HA A 62 GLU HGx 1.0 1.8 5.0 801 603 A 60 LEU HA A 63 LEU HD1% 1.0 1.8 5.0 802 604 A 60 LEU HA A 63 LEU HD2% 1.0 1.8 6.0 803 605 A 60 LEU HA A 63 LEU HG 1.0 1.8 5.0 804 606 B 27 LYS HA B 30 ILE HD11 1.0 1.8 5.0 805 607 B 27 LYS HA B 30 ILE HG1x 1.0 1.8 5.0 806 607 B 27 LYS HA B 30 ILE HG1y 1.0 1.8 5.0 807 608 B 27 LYS HA B 30 ILE HG21 1.0 1.8 5.0 808 609 B 31 SER HA B 34 LYS HDx 1.0 1.8 5.0 809 609 B 31 SER HA B 34 LYS HDy 1.0 1.8 5.0 810 610 B 53 PRO HA B 56 LEU HD21 1.0 1.8 5.0 811 611 B 54 SER HA B 57 ARG HGx 1.0 1.8 5.0 812 611 B 54 SER HA B 57 ARG HGy 1.0 1.8 5.0 813 612 B 55 ASP HA B 58 GLU HGx 1.0 1.8 5.0 814 612 B 55 ASP HA B 58 GLU HGy 1.0 1.8 5.0 815 613 B 56 LEU HA B 59 LYS HGx 1.0 1.8 5.0 816 613 B 56 LEU HA B 59 LYS HGy 1.0 1.8 5.0 817 614 B 57 ARG HA B 60 LEU HD11 1.0 1.8 5.0 818 615 B 59 LYS HA B 62 GLU HGx 1.0 1.8 5.0 819 615 B 59 LYS HA B 62 GLU HGy 1.0 1.8 5.0 820 616 B 60 LEU HA B 63 LEU HD11 1.0 1.8 5.0 821 617 B 60 LEU HA B 63 LEU HD21 1.0 1.8 6.0 822 618 B 60 LEU HA B 63 LEU HG 1.0 1.8 5.0 823 619 A 23 GLU H A 72 TYR H 1.0 1.8 5.0 824 620 A 25 VAL H A 72 TYR H 1.0 1.8 5.0 825 621 A 36 VAL H A 92 ASN H 1.0 1.8 5.0 826 622 A 38 VAL H A 90 VAL H 1.0 1.8 5.0 827 623 A 38 VAL H A 92 ASN H 1.0 1.8 5.0 828 624 A 39 GLY H A 90 VAL H 1.0 1.8 5.0 829 625 A 41 ILE H A 90 VAL H 1.0 1.8 5.0 830 626 A 43 VAL H A 86 ALA H 1.0 1.8 5.0 831 627 A 45 GLN H A 84 PHE H 1.0 1.8 5.0 832 628 A 47 GLY H A 84 PHE H 1.0 1.8 5.0 833 629 A 51 SER H A 55 ASP H 1.0 1.8 5.3 834 630 A 52 SER H A 55 ASP H 1.0 1.8 5.0 835 631 A 52 SER H A 56 LEU H 1.0 1.8 5.0 836 632 A 71 TYR H A 91 TYR H 1.0 1.8 5.0 837 633 A 73 HIS H A 89 GLU H 1.0 1.8 5.0 838 634 A 75 ILE H A 89 GLU H 1.0 1.8 5.0 839 635 A 76 ALA H A 87 VAL H 1.0 1.8 5.0 840 636 A 78 ARG H A 85 GLU H 1.0 1.8 5.0 841 637 A 80 HIS H A 83 ASN H 1.0 1.8 5.0 842 638 A 80 HIS H A 85 GLU H 1.0 1.8 5.0 843 639 B 23 GLU H B 72 TYR H 1.0 1.8 5.0 844 640 B 25 VAL H B 72 TYR H 1.0 1.8 5.0 845 641 B 36 VAL H B 92 ASN H 1.0 1.8 5.0 846 642 B 38 VAL H B 90 VAL H 1.0 1.8 5.0 847 643 B 38 VAL H B 92 ASN H 1.0 1.8 5.0 848 644 B 39 GLY H B 90 VAL H 1.0 1.8 5.0 849 645 B 41 ILE H B 90 VAL H 1.0 1.8 5.0 850 646 B 43 VAL H B 86 ALA H 1.0 1.8 5.0 851 647 B 45 GLN H B 84 PHE H 1.0 1.8 5.0 852 648 B 47 GLY H B 84 PHE H 1.0 1.8 5.0 853 649 B 51 SER H B 55 ASP H 1.0 1.8 5.3 854 650 B 52 SER H B 55 ASP H 1.0 1.8 5.0 855 651 B 52 SER H B 56 LEU H 1.0 1.8 5.0 856 652 B 71 TYR H B 91 TYR H 1.0 1.8 5.0 857 653 B 73 HIS H B 89 GLU H 1.0 1.8 5.0 858 654 B 75 ILE H B 89 GLU H 1.0 1.8 5.0 859 655 B 76 ALA H B 87 VAL H 1.0 1.8 5.0 860 656 B 78 ARG H B 85 GLU H 1.0 1.8 5.0 861 657 B 80 HIS H B 83 ASN H 1.0 1.8 5.0 862 658 B 80 HIS H B 85 GLU H 1.0 1.8 5.0 863 659 A 24 GLN HA A 72 TYR H 1.0 1.8 5.0 864 660 A 35 LEU H A 30 ILE HA 1.0 1.8 5.0 865 661 A 92 ASN H A 37 LYS HA 1.0 1.8 5.0 866 662 A 92 ASN H A 38 VAL HA 1.0 1.8 5.5 867 663 A 88 ALA H A 40 THR HA 1.0 1.8 6.0 868 664 A 90 VAL H A 40 THR HA 1.0 1.8 5.0 869 665 A 86 ALA H A 42 ASN HA 1.0 1.8 5.5 870 666 A 88 ALA H A 42 ASN HA 1.0 1.8 5.0 871 667 A 84 PHE H A 46 SER HA 1.0 1.8 5.0 872 668 A 84 PHE H A 47 GLY HAy 1.0 1.8 6.0 873 668 A 84 PHE H A 47 GLY HAx 1.0 1.8 6.0 874 669 A 91 TYR H A 72 TYR HA 1.0 1.8 5.0 875 670 A 89 GLU H A 74 ILE HA 1.0 1.8 5.0 876 671 A 87 VAL H A 77 ALA HA 1.0 1.8 5.0 877 672 B 24 GLN HA B 72 TYR H 1.0 1.8 5.0 878 673 B 35 LEU H B 30 ILE HA 1.0 1.8 5.0 879 674 B 92 ASN H B 37 LYS HA 1.0 1.8 5.0 880 675 B 92 ASN H B 38 VAL HA 1.0 1.8 5.5 881 676 B 88 ALA H B 40 THR HA 1.0 1.8 6.0 882 677 B 90 VAL H B 40 THR HA 1.0 1.8 5.0 883 678 B 86 ALA H B 42 ASN HA 1.0 1.8 5.5 884 679 B 88 ALA H B 42 ASN HA 1.0 1.8 5.0 885 680 B 84 PHE H B 46 SER HA 1.0 1.8 5.0 886 681 B 84 PHE H B 47 GLY HAx 1.0 1.8 6.0 887 681 B 84 PHE H B 47 GLY HAy 1.0 1.8 6.0 888 682 B 91 TYR H B 72 TYR HA 1.0 1.8 5.0 889 683 B 89 GLU H B 74 ILE HA 1.0 1.8 5.0 890 684 B 87 VAL H B 77 ALA HA 1.0 1.8 5.0 891 685 A 23 GLU H A 71 TYR HA 1.0 1.8 5.0 892 686 A 25 VAL H A 73 HIS HA 1.0 1.8 5.5 893 687 A 38 VAL H A 91 TYR HA 1.0 1.8 5.0 894 688 A 41 ILE H A 89 GLU HA 1.0 1.8 5.0 895 689 A 43 VAL H A 85 GLU HA 1.0 1.8 5.5 896 690 A 43 VAL H A 87 VAL HA 1.0 1.8 5.0 897 691 A 45 GLN H A 85 GLU HA 1.0 1.8 5.0 898 692 A 47 GLY H A 83 ASN HA 1.0 1.8 5.0 899 693 A 70 LYS H A 92 ASN HA 1.0 1.8 5.0 900 694 A 71 TYR H A 92 ASN HA 1.0 1.8 5.0 901 695 A 73 HIS H A 90 VAL HA 1.0 1.8 5.0 902 696 A 75 ILE H A 88 ALA HA 1.0 1.8 5.0 903 697 A 76 ALA H A 88 ALA HA 1.0 1.8 5.0 904 698 A 78 ARG H A 86 ALA HA 1.0 1.8 5.0 905 699 B 23 GLU H B 71 TYR HA 1.0 1.8 5.0 906 700 B 25 VAL H B 73 HIS HA 1.0 1.8 5.5 907 701 B 38 VAL H B 91 TYR HA 1.0 1.8 5.0 908 702 B 41 ILE H B 89 GLU HA 1.0 1.8 5.0 909 703 B 43 VAL H B 85 GLU HA 1.0 1.8 5.0 910 704 B 43 VAL H B 87 VAL HA 1.0 1.8 5.0 911 705 B 45 GLN H B 85 GLU HA 1.0 1.8 5.0 912 706 B 47 GLY H B 83 ASN HA 1.0 1.8 5.0 913 707 B 70 LYS H B 92 ASN HA 1.0 1.8 5.0 914 708 B 71 TYR H B 92 ASN HA 1.0 1.8 5.0 915 709 B 73 HIS H B 90 VAL HA 1.0 1.8 5.0 916 710 B 75 ILE H B 88 ALA HA 1.0 1.8 5.0 917 711 B 76 ALA H B 88 ALA HA 1.0 1.8 5.0 918 712 B 78 ARG H B 86 ALA HA 1.0 1.8 5.0 919 713 A 37 LYS HA A 91 TYR HA 1.0 1.8 5.0 920 714 A 40 THR HA A 89 GLU HA 1.0 1.8 5.0 921 715 A 42 ASN HA A 87 VAL HA 1.0 1.8 5.0 922 716 A 44 SER HA A 85 GLU HA 1.0 1.8 5.0 923 717 A 46 SER HA A 83 ASN HA 1.0 1.8 5.0 924 718 A 60 LEU HA A 63 LEU HA 1.0 1.8 6.0 925 719 A 72 TYR HA A 90 VAL HA 1.0 1.8 5.0 926 720 A 74 ILE HA A 88 ALA HA 1.0 1.8 5.0 927 721 A 77 ALA HA A 86 ALA HA 1.0 1.8 5.0 928 722 B 37 LYS HA B 91 TYR HA 1.0 1.8 5.0 929 723 B 40 THR HA B 89 GLU HA 1.0 1.8 5.0 930 724 B 42 ASN HA B 87 VAL HA 1.0 1.8 5.0 931 725 B 44 SER HA B 85 GLU HA 1.0 1.8 5.0 932 726 B 46 SER HA B 83 ASN HA 1.0 1.8 5.0 933 727 B 60 LEU HA B 63 LEU HA 1.0 1.8 6.0 934 728 B 72 TYR HA B 90 VAL HA 1.0 1.8 5.0 935 729 B 74 ILE HA B 88 ALA HA 1.0 1.8 5.0 936 730 B 77 ALA HA B 86 ALA HA 1.0 1.8 5.0 937 731 A 35 LEU H A 30 ILE HG2% 1.0 1.8 5.0 938 732 A 92 ASN H A 35 LEU HB2 1.0 1.8 5.0 939 732 A 92 ASN H A 35 LEU HB3 1.0 1.8 5.0 940 733 A 94 ALA H A 35 LEU HD2% 1.0 1.8 5.0 941 734 A 92 ASN H A 36 VAL HB 1.0 1.8 5.0 942 735 A 92 ASN H A 36 VAL HG1% 1.0 1.8 5.0 943 736 A 95 THR H A 36 VAL HG1% 1.0 1.8 6.0 944 737 A 92 ASN H A 36 VAL HG2% 1.0 1.8 5.0 945 738 A 94 ALA H A 36 VAL HG2% 1.0 1.8 5.0 946 739 A 95 THR H A 36 VAL HG2% 1.0 1.8 5.0 947 740 A 90 VAL H A 37 LYS HGy 1.0 1.8 5.0 948 740 A 90 VAL H A 37 LYS HGx 1.0 1.8 5.0 949 741 A 92 ASN H A 38 VAL HG1% 1.0 1.8 6.0 950 742 A 69 GLY H A 38 VAL HG2% 1.0 1.8 5.0 951 743 A 92 ASN H A 38 VAL HG2% 1.0 1.8 5.0 952 744 A 90 VAL H A 40 THR HG2% 1.0 1.8 5.0 953 745 A 63 LEU H A 41 ILE HD1% 1.0 1.8 5.0 954 746 A 64 ALA H A 41 ILE HD1% 1.0 1.8 5.0 955 747 A 88 ALA H A 41 ILE HD1% 1.0 1.8 5.0 956 748 A 90 VAL H A 41 ILE HG1y 1.0 1.8 5.0 957 748 A 90 VAL H A 41 ILE HG1x 1.0 1.8 5.0 958 749 A 63 LEU H A 41 ILE HG2% 1.0 1.8 5.0 959 750 A 64 ALA H A 41 ILE HG2% 1.0 1.8 5.0 960 751 A 67 LYS H A 41 ILE HG2% 1.0 1.8 5.0 961 752 A 86 ALA H A 43 VAL HB 1.0 1.8 5.0 962 753 A 59 LYS H A 43 VAL HG2% 1.0 1.8 5.0 963 754 A 60 LEU H A 43 VAL HG2% 1.0 1.8 5.0 964 755 A 50 ILE H A 45 GLN HBy 1.0 1.8 5.0 965 755 A 50 ILE H A 45 GLN HBx 1.0 1.8 5.0 966 756 A 84 PHE H A 45 GLN HBy 1.0 1.8 5.0 967 756 A 84 PHE H A 45 GLN HBx 1.0 1.8 5.0 968 757 A 50 ILE H A 45 GLN HG2 1.0 1.8 5.0 969 757 A 50 ILE H A 45 GLN HG3 1.0 1.8 5.0 970 758 A 56 LEU H A 50 ILE HD1% 1.0 1.8 6.0 971 759 A 55 ASP H A 50 ILE HG2% 1.0 1.8 5.0 972 760 A 56 LEU H A 50 ILE HG2% 1.0 1.8 5.0 973 761 A 88 ALA H A 60 LEU HD2% 1.0 1.8 5.0 974 762 A 69 GLY H A 64 ALA HB% 1.0 1.8 5.0 975 763 A 71 TYR H A 64 ALA HB% 1.0 1.8 5.0 976 764 A 72 TYR H A 64 ALA HB% 1.0 1.8 6.0 977 765 A 93 ASP H A 70 LYS HB2 1.0 1.8 5.0 978 765 A 93 ASP H A 70 LYS HB3 1.0 1.8 5.0 979 766 A 93 ASP H A 70 LYS HGy 1.0 1.8 5.0 980 766 A 93 ASP H A 70 LYS HGx 1.0 1.8 5.0 981 767 A 91 TYR H A 71 TYR HBy 1.0 1.8 5.0 982 767 A 91 TYR H A 71 TYR HBx 1.0 1.8 5.0 983 768 A 89 GLU H A 73 HIS HBy 1.0 1.8 5.0 984 768 A 89 GLU H A 73 HIS HBx 1.0 1.8 5.0 985 769 A 87 VAL H A 74 ILE HG2% 1.0 1.8 5.0 986 770 A 88 ALA H A 75 ILE HD1% 1.0 1.8 5.0 987 771 A 89 GLU H A 75 ILE HD1% 1.0 1.8 5.0 988 772 A 88 ALA H A 75 ILE HG1y 1.0 1.8 6.0 989 772 A 88 ALA H A 75 ILE HG1x 1.0 1.8 6.0 990 773 A 89 GLU H A 75 ILE HG1y 1.0 1.8 6.0 991 773 A 89 GLU H A 75 ILE HG1x 1.0 1.8 6.0 992 774 A 89 GLU H A 75 ILE HG2% 1.0 1.8 5.0 993 775 A 87 VAL H A 76 ALA HB% 1.0 1.8 5.0 994 776 A 85 GLU H A 77 ALA HB% 1.0 1.8 6.0 995 777 A 87 VAL H A 77 ALA HB% 1.0 1.8 5.0 996 778 B 35 LEU H B 30 ILE HG21 1.0 1.8 5.0 997 779 B 92 ASN H B 35 LEU HBx 1.0 1.8 5.0 998 779 B 92 ASN H B 35 LEU HBy 1.0 1.8 5.0 999 780 B 94 ALA H B 35 LEU HD21 1.0 1.8 5.0 1000 781 B 92 ASN H B 36 VAL HB 1.0 1.8 5.0 1001 782 B 92 ASN H B 36 VAL HG11 1.0 1.8 5.0 1002 783 B 95 THR H B 36 VAL HG11 1.0 1.8 6.0 1003 784 B 92 ASN H B 36 VAL HG21 1.0 1.8 5.0 1004 785 B 94 ALA H B 36 VAL HG21 1.0 1.8 5.0 1005 786 B 95 THR H B 36 VAL HG21 1.0 1.8 5.0 1006 787 B 90 VAL H B 37 LYS HGy 1.0 1.8 5.0 1007 787 B 90 VAL H B 37 LYS HGx 1.0 1.8 5.0 1008 788 B 92 ASN H B 38 VAL HG11 1.0 1.8 6.0 1009 789 B 69 GLY H B 38 VAL HG21 1.0 1.8 5.0 1010 790 B 92 ASN H B 38 VAL HG21 1.0 1.8 5.0 1011 791 B 90 VAL H B 40 THR HG21 1.0 1.8 5.0 1012 792 B 63 LEU H B 41 ILE HD11 1.0 1.8 5.0 1013 793 B 64 ALA H B 41 ILE HD11 1.0 1.8 5.0 1014 794 B 88 ALA H B 41 ILE HD11 1.0 1.8 5.0 1015 795 B 90 VAL H B 41 ILE HG1x 1.0 1.8 5.0 1016 795 B 90 VAL H B 41 ILE HG1y 1.0 1.8 5.0 1017 796 B 63 LEU H B 41 ILE HG21 1.0 1.8 5.0 1018 797 B 64 ALA H B 41 ILE HG21 1.0 1.8 5.0 1019 798 B 67 LYS H B 41 ILE HG21 1.0 1.8 5.0 1020 799 B 86 ALA H B 43 VAL HB 1.0 1.8 5.0 1021 800 B 59 LYS H B 43 VAL HG21 1.0 1.8 5.0 1022 801 B 60 LEU H B 43 VAL HG21 1.0 1.8 5.0 1023 802 B 50 ILE H B 45 GLN HBx 1.0 1.8 5.0 1024 802 B 50 ILE H B 45 GLN HBy 1.0 1.8 5.0 1025 803 B 84 PHE H B 45 GLN HBx 1.0 1.8 5.0 1026 803 B 84 PHE H B 45 GLN HBy 1.0 1.8 5.0 1027 804 B 50 ILE H B 45 GLN HGx 1.0 1.8 5.0 1028 804 B 50 ILE H B 45 GLN HGy 1.0 1.8 5.0 1029 805 B 56 LEU H B 50 ILE HD11 1.0 1.8 6.0 1030 806 B 55 ASP H B 50 ILE HG21 1.0 1.8 5.0 1031 807 B 56 LEU H B 50 ILE HG21 1.0 1.8 5.0 1032 808 B 88 ALA H B 60 LEU HD21 1.0 1.8 5.0 1033 809 B 69 GLY H B 64 ALA HB1 1.0 1.8 5.0 1034 810 B 71 TYR H B 64 ALA HB1 1.0 1.8 5.0 1035 811 B 72 TYR H B 64 ALA HB1 1.0 1.8 6.0 1036 812 B 93 ASP H B 70 LYS HBx 1.0 1.8 5.0 1037 812 B 93 ASP H B 70 LYS HBy 1.0 1.8 5.0 1038 813 B 93 ASP H B 70 LYS HGx 1.0 1.8 5.0 1039 813 B 93 ASP H B 70 LYS HGy 1.0 1.8 5.0 1040 814 B 91 TYR H B 71 TYR HBx 1.0 1.8 5.0 1041 814 B 91 TYR H B 71 TYR HBy 1.0 1.8 5.0 1042 815 B 89 GLU H B 73 HIS HBx 1.0 1.8 5.0 1043 815 B 89 GLU H B 73 HIS HBy 1.0 1.8 5.0 1044 816 B 87 VAL H B 74 ILE HG21 1.0 1.8 5.0 1045 817 B 88 ALA H B 75 ILE HD11 1.0 1.8 5.0 1046 818 B 89 GLU H B 75 ILE HD11 1.0 1.8 5.0 1047 819 B 88 ALA H B 75 ILE HG1x 1.0 1.8 6.0 1048 819 B 88 ALA H B 75 ILE HG1y 1.0 1.8 6.0 1049 820 B 89 GLU H B 75 ILE HG1x 1.0 1.8 6.0 1050 820 B 89 GLU H B 75 ILE HG1y 1.0 1.8 6.0 1051 821 B 89 GLU H B 75 ILE HG21 1.0 1.8 5.0 1052 822 B 87 VAL H B 76 ALA HB1 1.0 1.8 5.0 1053 823 B 85 GLU H B 77 ALA HB1 1.0 1.8 6.0 1054 824 B 87 VAL H B 77 ALA HB1 1.0 1.8 5.0 1055 825 A 30 ILE H A 35 LEU HD1% 1.0 1.8 5.0 1056 826 A 33 PHE H A 35 LEU HD1% 1.0 1.8 5.0 1057 827 A 33 PHE H A 35 LEU HD2% 1.0 1.8 6.0 1058 828 A 33 PHE H A 35 LEU HG 1.0 1.8 5.0 1059 829 A 36 VAL H A 91 TYR HBy 1.0 1.8 5.0 1060 829 A 36 VAL H A 91 TYR HBx 1.0 1.8 5.0 1061 830 A 36 VAL H A 91 TYR HD% 1.0 1.8 5.0 1062 831 A 36 VAL H A 92 ASN HB2 1.0 1.8 5.0 1063 831 A 36 VAL H A 92 ASN HB3 1.0 1.8 5.0 1064 832 A 37 LYS H A 91 TYR HD% 1.0 1.8 5.0 1065 833 A 37 LYS H A 91 TYR HE% 1.0 1.8 5.0 1066 834 A 38 VAL H A 90 VAL HB 1.0 1.8 5.0 1067 835 A 38 VAL H A 91 TYR HD% 1.0 1.8 5.0 1068 836 A 39 GLY H A 90 VAL HB 1.0 1.8 5.0 1069 837 A 39 GLY H A 90 VAL HG1% 1.0 1.8 5.0 1070 838 A 39 GLY H A 90 VAL HG2% 1.0 1.8 5.0 1071 839 A 40 THR H A 67 LYS HD2 1.0 1.8 6.0 1072 839 A 40 THR H A 67 LYS HD3 1.0 1.8 6.0 1073 840 A 40 THR H A 67 LYS HE2 1.0 1.8 5.0 1074 840 A 40 THR H A 67 LYS HE3 1.0 1.8 5.0 1075 841 A 40 THR H A 90 VAL HG2% 1.0 1.8 5.0 1076 842 A 41 ILE H A 90 VAL HG2% 1.0 1.8 5.0 1077 843 A 42 ASN H A 63 LEU HD1% 1.0 1.8 5.0 1078 844 A 43 VAL H A 60 LEU HD2% 1.0 1.8 5.0 1079 845 A 43 VAL H A 86 ALA HB% 1.0 1.8 5.0 1080 846 A 45 GLN H A 83 ASN HB2 1.0 1.8 5.0 1081 846 A 45 GLN H A 83 ASN HB3 1.0 1.8 5.0 1082 847 A 45 GLN H A 85 GLU HG2 1.0 1.8 5.0 1083 847 A 45 GLN H A 85 GLU HG3 1.0 1.8 5.0 1084 848 A 46 SER H A 49 GLN HB2 1.0 1.8 5.0 1085 848 A 46 SER H A 49 GLN HB3 1.0 1.8 5.0 1086 849 A 51 SER H A 55 ASP HBy 1.0 1.8 5.0 1087 849 A 51 SER H A 55 ASP HBx 1.0 1.8 5.0 1088 850 A 52 SER H A 55 ASP HBy 1.0 1.8 5.0 1089 850 A 52 SER H A 55 ASP HBx 1.0 1.8 5.0 1090 851 A 61 SER H A 64 ALA HB% 1.0 1.8 5.0 1091 852 A 61 SER H A 72 TYR HE% 1.0 1.8 5.0 1092 853 A 62 GLU H A 64 ALA HB% 1.0 1.8 5.0 1093 854 A 63 LEU H A 66 ALA HB% 1.0 1.8 5.0 1094 855 A 64 ALA H A 90 VAL HG1% 1.0 1.8 6.0 1095 856 A 64 ALA H A 90 VAL HG2% 1.0 1.8 6.0 1096 857 A 68 GLY H A 90 VAL HG1% 1.0 1.8 5.0 1097 858 A 69 GLY H A 90 VAL HG1% 1.0 1.8 5.0 1098 859 A 70 LYS H A 90 VAL HG1% 1.0 1.8 5.0 1099 860 A 70 LYS H A 92 ASN HD2y 1.0 1.8 5.0 1100 860 A 70 LYS H A 92 ASN HD2x 1.0 1.8 5.0 1101 861 A 71 TYR H A 90 VAL HG1% 1.0 1.8 5.0 1102 862 A 71 TYR H A 91 TYR HBy 1.0 1.8 5.0 1103 862 A 71 TYR H A 91 TYR HBx 1.0 1.8 5.0 1104 863 A 73 HIS H A 88 ALA HB% 1.0 1.8 5.0 1105 864 A 73 HIS H A 90 VAL HG2% 1.0 1.8 5.0 1106 865 A 73 HIS H A 91 TYR HD% 1.0 1.8 5.0 1107 866 A 73 HIS H A 91 TYR HE% 1.0 1.8 5.0 1108 867 A 74 ILE H A 88 ALA HB% 1.0 1.8 5.0 1109 868 A 75 ILE H A 87 VAL HB 1.0 1.8 5.0 1110 869 A 75 ILE H A 88 ALA HB% 1.0 1.8 5.0 1111 870 A 76 ALA H A 87 VAL HB 1.0 1.8 5.0 1112 871 A 76 ALA H A 87 VAL HG1% 1.0 1.8 6.0 1113 872 A 76 ALA H A 87 VAL HG2% 1.0 1.8 6.0 1114 873 A 78 ARG H A 84 PHE HE% 1.0 1.8 5.0 1115 874 A 78 ARG H A 85 GLU HBy 1.0 1.8 5.0 1116 874 A 78 ARG H A 85 GLU HBx 1.0 1.8 5.0 1117 875 A 78 ARG H A 85 GLU HG2 1.0 1.8 6.0 1118 875 A 78 ARG H A 85 GLU HG3 1.0 1.8 6.0 1119 876 A 78 ARG H A 86 ALA HB% 1.0 1.8 5.0 1120 877 A 79 GLU H A 84 PHE HD% 1.0 1.8 5.0 1121 878 A 80 HIS H A 83 ASN HB2 1.0 1.8 5.0 1122 878 A 80 HIS H A 83 ASN HB3 1.0 1.8 5.0 1123 879 A 80 HIS H A 85 GLU HG2 1.0 1.8 5.0 1124 879 A 80 HIS H A 85 GLU HG3 1.0 1.8 5.0 1125 880 B 30 ILE H B 35 LEU HD11 1.0 1.8 5.0 1126 881 B 33 PHE H B 35 LEU HD11 1.0 1.8 5.0 1127 882 B 33 PHE H B 35 LEU HD21 1.0 1.8 6.0 1128 883 B 33 PHE H B 35 LEU HG 1.0 1.8 5.0 1129 884 B 36 VAL H B 91 TYR HBx 1.0 1.8 5.0 1130 884 B 36 VAL H B 91 TYR HBy 1.0 1.8 5.0 1131 885 B 36 VAL H B 91 TYR HD% 1.0 1.8 5.0 1132 886 B 36 VAL H B 92 ASN HBx 1.0 1.8 5.0 1133 886 B 36 VAL H B 92 ASN HBy 1.0 1.8 5.0 1134 887 B 37 LYS H B 91 TYR HD% 1.0 1.8 5.0 1135 888 B 37 LYS H B 91 TYR HE% 1.0 1.8 5.0 1136 889 B 38 VAL H B 90 VAL HB 1.0 1.8 5.0 1137 890 B 38 VAL H B 91 TYR HD% 1.0 1.8 5.0 1138 891 B 39 GLY H B 90 VAL HB 1.0 1.8 5.0 1139 892 B 39 GLY H B 90 VAL HG11 1.0 1.8 5.0 1140 893 B 39 GLY H B 90 VAL HG21 1.0 1.8 5.0 1141 894 B 40 THR H B 67 LYS HDx 1.0 1.8 6.0 1142 894 B 40 THR H B 67 LYS HDy 1.0 1.8 6.0 1143 895 B 40 THR H B 67 LYS HEx 1.0 1.8 5.0 1144 895 B 40 THR H B 67 LYS HEy 1.0 1.8 5.0 1145 896 B 40 THR H B 90 VAL HG21 1.0 1.8 5.0 1146 897 B 41 ILE H B 90 VAL HG21 1.0 1.8 5.0 1147 898 B 42 ASN H B 63 LEU HD11 1.0 1.8 5.0 1148 899 B 43 VAL H B 60 LEU HD21 1.0 1.8 5.0 1149 900 B 43 VAL H B 86 ALA HB1 1.0 1.8 5.0 1150 901 B 45 GLN H B 83 ASN HBx 1.0 1.8 5.0 1151 901 B 45 GLN H B 83 ASN HBy 1.0 1.8 5.0 1152 902 B 45 GLN H B 85 GLU HGx 1.0 1.8 5.0 1153 902 B 45 GLN H B 85 GLU HGy 1.0 1.8 5.0 1154 903 B 46 SER H B 49 GLN HBx 1.0 1.8 5.0 1155 903 B 46 SER H B 49 GLN HBy 1.0 1.8 5.0 1156 904 B 51 SER H B 55 ASP HBx 1.0 1.8 5.0 1157 904 B 51 SER H B 55 ASP HBy 1.0 1.8 5.0 1158 905 B 52 SER H B 55 ASP HBx 1.0 1.8 5.0 1159 905 B 52 SER H B 55 ASP HBy 1.0 1.8 5.0 1160 906 B 61 SER H B 64 ALA HB1 1.0 1.8 5.0 1161 907 B 61 SER H B 72 TYR HE% 1.0 1.8 5.0 1162 908 B 62 GLU H B 64 ALA HB1 1.0 1.8 5.0 1163 909 B 63 LEU H B 66 ALA HB1 1.0 1.8 5.0 1164 910 B 64 ALA H B 90 VAL HG11 1.0 1.8 6.0 1165 911 B 64 ALA H B 90 VAL HG21 1.0 1.8 6.0 1166 912 B 68 GLY H B 90 VAL HG11 1.0 1.8 5.0 1167 913 B 69 GLY H B 90 VAL HG11 1.0 1.8 5.0 1168 914 B 70 LYS H B 90 VAL HG11 1.0 1.8 5.0 1169 915 B 70 LYS H B 92 ASN HD2x 1.0 1.8 5.0 1170 915 B 70 LYS H B 92 ASN HD2y 1.0 1.8 5.0 1171 916 B 71 TYR H B 90 VAL HG11 1.0 1.8 5.0 1172 917 B 71 TYR H B 91 TYR HBx 1.0 1.8 5.0 1173 917 B 71 TYR H B 91 TYR HBy 1.0 1.8 5.0 1174 918 B 73 HIS H B 88 ALA HB1 1.0 1.8 5.0 1175 919 B 73 HIS H B 90 VAL HG21 1.0 1.8 5.0 1176 920 B 73 HIS H B 91 TYR HD% 1.0 1.8 5.0 1177 921 B 73 HIS H B 91 TYR HE% 1.0 1.8 5.0 1178 922 B 74 ILE H B 88 ALA HB1 1.0 1.8 5.0 1179 923 B 75 ILE H B 87 VAL HB 1.0 1.8 5.0 1180 924 B 75 ILE H B 88 ALA HB1 1.0 1.8 5.0 1181 925 B 76 ALA H B 87 VAL HB 1.0 1.8 5.0 1182 926 B 76 ALA H B 87 VAL HG11 1.0 1.8 6.0 1183 927 B 76 ALA H B 87 VAL HG21 1.0 1.8 6.0 1184 928 B 78 ARG H B 84 PHE HE% 1.0 1.8 5.0 1185 929 B 78 ARG H B 85 GLU HBx 1.0 1.8 5.0 1186 929 B 78 ARG H B 85 GLU HBy 1.0 1.8 5.0 1187 930 B 78 ARG H B 85 GLU HGx 1.0 1.8 6.0 1188 930 B 78 ARG H B 85 GLU HGy 1.0 1.8 6.0 1189 931 B 78 ARG H B 86 ALA HB1 1.0 1.8 5.0 1190 932 B 79 GLU H B 84 PHE HD% 1.0 1.8 5.0 1191 933 B 80 HIS H B 83 ASN HBx 1.0 1.8 5.0 1192 933 B 80 HIS H B 83 ASN HBy 1.0 1.8 5.0 1193 934 B 80 HIS H B 85 GLU HGx 1.0 1.8 5.0 1194 934 B 80 HIS H B 85 GLU HGy 1.0 1.8 5.0 1195 935 A 61 SER HA A 22 ALA HB% 1.0 1.8 5.0 1196 936 A 22 ALA HB% A 70 LYS HA 1.0 1.8 5.0 1197 937 A 71 TYR HA A 22 ALA HB% 1.0 1.8 5.0 1198 938 A 73 HIS HA A 24 GLN HGy 1.0 1.8 5.0 1199 938 A 73 HIS HA A 24 GLN HGx 1.0 1.8 5.0 1200 939 A 29 GLU HA A 33 PHE HD% 1.0 1.8 5.0 1201 940 A 29 GLU HA A 33 PHE HE% 1.0 1.8 5.0 1202 941 A 30 ILE HA A 35 LEU HB2 1.0 1.8 5.0 1203 941 A 30 ILE HA A 35 LEU HB3 1.0 1.8 5.0 1204 942 A 30 ILE HA A 35 LEU HD1% 1.0 1.8 5.0 1205 943 A 30 ILE HA A 35 LEU HD2% 1.0 1.8 5.0 1206 944 A 30 ILE HA A 35 LEU HG 1.0 1.8 5.0 1207 945 A 73 HIS HA A 30 ILE HD1% 1.0 1.8 5.0 1208 946 A 93 ASP HA A 35 LEU HD2% 1.0 1.8 5.0 1209 947 A 36 VAL HA A 91 TYR HD% 1.0 1.8 5.0 1210 948 A 36 VAL HG1% A 91 TYR HA 1.0 1.8 5.0 1211 949 A 94 ALA HA A 36 VAL HG1% 1.0 1.8 5.0 1212 950 A 94 ALA HA A 36 VAL HG2% 1.0 1.8 5.0 1213 951 A 37 LYS HA A 91 TYR HD% 1.0 1.8 5.0 1214 952 A 37 LYS HA A 91 TYR HE% 1.0 1.8 5.0 1215 953 A 38 VAL HG1% A 69 GLY HAy 1.0 1.8 5.0 1216 953 A 69 GLY HAx A 38 VAL HG1% 1.0 1.8 5.0 1217 954 A 38 VAL HG1% A 91 TYR HA 1.0 1.8 6.0 1218 955 A 38 VAL HG2% A 68 GLY HAy 1.0 1.8 5.0 1219 955 A 38 VAL HG2% A 68 GLY HAx 1.0 1.8 5.0 1220 956 A 38 VAL HG2% A 69 GLY HAy 1.0 1.8 5.0 1221 956 A 69 GLY HAx A 38 VAL HG2% 1.0 1.8 5.0 1222 957 A 38 VAL HG2% A 91 TYR HA 1.0 1.8 5.0 1223 958 A 39 GLY HA2 A 67 LYS HD2 1.0 1.8 5.0 1224 958 A 67 LYS HD3 A 39 GLY HA2 1.0 1.8 5.0 1225 958 A 67 LYS HD3 A 39 GLY HA3 1.0 1.8 5.0 1226 958 A 39 GLY HA3 A 67 LYS HD2 1.0 1.8 5.0 1227 959 A 39 GLY HA3 A 67 LYS HE2 1.0 1.8 5.0 1228 959 A 39 GLY HA2 A 67 LYS HE2 1.0 1.8 5.0 1229 959 A 67 LYS HE3 A 39 GLY HA2 1.0 1.8 5.0 1230 959 A 67 LYS HE3 A 39 GLY HA3 1.0 1.8 5.0 1231 960 A 39 GLY HA3 A 67 LYS HGy 1.0 1.8 5.0 1232 960 A 67 LYS HGx A 39 GLY HA2 1.0 1.8 5.0 1233 960 A 67 LYS HGx A 39 GLY HA3 1.0 1.8 5.0 1234 960 A 39 GLY HA2 A 67 LYS HGy 1.0 1.8 5.0 1235 961 A 90 VAL HB A 39 GLY HA2 1.0 1.8 5.0 1236 961 A 90 VAL HB A 39 GLY HA3 1.0 1.8 5.0 1237 962 A 40 THR HA A 90 VAL HB 1.0 1.8 5.0 1238 963 A 40 THR HA A 90 VAL HG2% 1.0 1.8 5.0 1239 964 A 40 THR HB A 89 GLU HA 1.0 1.8 5.0 1240 965 A 40 THR HG2% A 89 GLU HA 1.0 1.8 5.0 1241 966 A 41 ILE HA A 63 LEU HD1% 1.0 1.8 5.0 1242 967 A 60 LEU HA A 41 ILE HD1% 1.0 1.8 5.0 1243 968 A 61 SER HA A 41 ILE HD1% 1.0 1.8 6.0 1244 969 A 64 ALA HA A 41 ILE HD1% 1.0 1.8 5.0 1245 970 A 60 LEU HA A 41 ILE HG2% 1.0 1.8 5.0 1246 971 A 63 LEU HA A 41 ILE HG2% 1.0 1.8 5.0 1247 972 A 64 ALA HA A 41 ILE HG2% 1.0 1.8 5.0 1248 973 A 42 ASN HA A 60 LEU HD2% 1.0 1.8 5.0 1249 974 A 42 ASN HA A 86 ALA HB% 1.0 1.8 5.0 1250 975 A 42 ASN HA A 87 VAL HG1% 1.0 1.8 6.0 1251 976 A 42 ASN HA A 87 VAL HG2% 1.0 1.8 6.0 1252 977 A 42 ASN HA A 88 ALA HB% 1.0 1.8 6.0 1253 978 A 87 VAL HA A 42 ASN HB2 1.0 1.8 5.0 1254 978 A 87 VAL HA A 42 ASN HB3 1.0 1.8 5.0 1255 979 A 43 VAL HA A 63 LEU HD1% 1.0 1.8 5.0 1256 980 A 85 GLU HA A 43 VAL HB 1.0 1.8 5.0 1257 981 A 56 LEU HA A 43 VAL HG1% 1.0 1.8 5.0 1258 982 A 85 GLU HA A 43 VAL HG1% 1.0 1.8 5.0 1259 983 A 60 LEU HA A 43 VAL HG2% 1.0 1.8 5.0 1260 984 A 44 SER HA A 84 PHE HD% 1.0 1.8 5.0 1261 985 A 44 SER HA A 85 GLU HBy 1.0 1.8 5.0 1262 985 A 44 SER HA A 85 GLU HBx 1.0 1.8 5.0 1263 986 A 44 SER HA A 85 GLU HG2 1.0 1.8 5.0 1264 986 A 44 SER HA A 85 GLU HG3 1.0 1.8 5.0 1265 987 A 85 GLU HA A 44 SER HB2 1.0 1.8 5.0 1266 987 A 85 GLU HA A 44 SER HB3 1.0 1.8 5.0 1267 988 A 45 GLN HA A 49 GLN HB2 1.0 1.8 5.0 1268 988 A 45 GLN HA A 49 GLN HB3 1.0 1.8 5.0 1269 989 A 46 SER HA A 83 ASN HB2 1.0 1.8 5.0 1270 989 A 46 SER HA A 83 ASN HB3 1.0 1.8 5.0 1271 990 A 83 ASN HA A 46 SER HBy 1.0 1.8 5.0 1272 990 A 83 ASN HA A 46 SER HBx 1.0 1.8 5.0 1273 991 A 47 GLY HAx A 84 PHE HBy 1.0 1.8 5.0 1274 991 A 47 GLY HAy A 84 PHE HBy 1.0 1.8 5.0 1275 991 A 84 PHE HBx A 47 GLY HAy 1.0 1.8 5.0 1276 991 A 47 GLY HAx A 84 PHE HBx 1.0 1.8 5.0 1277 992 A 50 ILE HA A 55 ASP HBy 1.0 1.8 5.0 1278 992 A 50 ILE HA A 55 ASP HBx 1.0 1.8 5.0 1279 993 A 56 LEU HA A 50 ILE HD1% 1.0 1.8 5.0 1280 994 A 53 PRO HA A 50 ILE HG2% 1.0 1.8 5.0 1281 995 A 56 LEU HA A 50 ILE HG2% 1.0 1.8 5.0 1282 996 A 59 LYS HA A 63 LEU HD1% 1.0 1.8 5.0 1283 997 A 59 LYS HA A 63 LEU HD2% 1.0 1.8 5.0 1284 998 A 74 ILE HA A 60 LEU HD1% 1.0 1.8 5.0 1285 999 A 61 SER HA A 72 TYR HE% 1.0 1.8 5.0 1286 1000 A 63 LEU HA A 67 LYS HGy 1.0 1.8 5.0 1287 1000 A 63 LEU HA A 67 LYS HGx 1.0 1.8 5.0 1288 1001 A 64 ALA HA A 90 VAL HG1% 1.0 1.8 5.0 1289 1002 A 64 ALA HA A 90 VAL HG2% 1.0 1.8 5.0 1290 1003 A 72 TYR HA A 64 ALA HB% 1.0 1.8 5.0 1291 1004 A 64 ALA HB% A 90 VAL HA 1.0 1.8 5.0 1292 1005 A 90 VAL HG1% A 69 GLY HAy 1.0 1.8 5.0 1293 1005 A 69 GLY HAx A 90 VAL HG1% 1.0 1.8 5.0 1294 1006 A 90 VAL HG2% A 69 GLY HAy 1.0 1.8 6.0 1295 1006 A 69 GLY HAx A 90 VAL HG2% 1.0 1.8 6.0 1296 1007 A 69 GLY HAx A 92 ASN HD2y 1.0 1.8 5.0 1297 1007 A 69 GLY HAy A 92 ASN HD2y 1.0 1.8 5.0 1298 1007 A 92 ASN HD2x A 69 GLY HAy 1.0 1.8 5.0 1299 1007 A 69 GLY HAx A 92 ASN HD2x 1.0 1.8 5.0 1300 1008 A 92 ASN HA A 70 LYS HB2 1.0 1.8 5.0 1301 1008 A 92 ASN HA A 70 LYS HB3 1.0 1.8 5.0 1302 1009 A 72 TYR HA A 88 ALA HB% 1.0 1.8 6.0 1303 1010 A 72 TYR HA A 90 VAL HG1% 1.0 1.8 5.0 1304 1011 A 72 TYR HA A 90 VAL HG2% 1.0 1.8 5.0 1305 1012 A 72 TYR HA A 91 TYR HD% 1.0 1.8 5.0 1306 1013 A 90 VAL HA A 72 TYR HB2 1.0 1.8 5.0 1307 1013 A 72 TYR HB3 A 90 VAL HA 1.0 1.8 5.0 1308 1014 A 74 ILE HA A 88 ALA HB% 1.0 1.8 5.0 1309 1015 A 74 ILE HD1% A 88 ALA HA 1.0 1.8 6.0 1310 1016 A 88 ALA HA A 74 ILE HG1y 1.0 1.8 5.0 1311 1016 A 74 ILE HG1x A 88 ALA HA 1.0 1.8 5.0 1312 1017 A 77 ALA HA A 74 ILE HG2% 1.0 1.8 5.0 1313 1018 A 86 ALA HA A 74 ILE HG2% 1.0 1.8 6.0 1314 1019 A 74 ILE HG2% A 88 ALA HA 1.0 1.8 6.0 1315 1020 A 75 ILE HD1% A 88 ALA HA 1.0 1.8 5.0 1316 1021 A 88 ALA HA A 75 ILE HG1y 1.0 1.8 5.0 1317 1021 A 75 ILE HG1x A 88 ALA HA 1.0 1.8 5.0 1318 1022 A 75 ILE HG2% A 88 ALA HA 1.0 1.8 5.0 1319 1023 A 75 ILE HG2% A 89 GLU HA 1.0 1.8 5.0 1320 1024 A 77 ALA HA A 86 ALA HB% 1.0 1.8 5.0 1321 1025 A 86 ALA HA A 77 ALA HB% 1.0 1.8 5.0 1322 1026 A 78 ARG HA A 84 PHE HE% 1.0 1.8 5.0 1323 1027 A 84 PHE HD% A 79 GLU HA 1.0 1.8 5.0 1324 1028 B 61 SER HA B 22 ALA HB1 1.0 1.8 5.0 1325 1029 B 22 ALA HB1 B 70 LYS HA 1.0 1.8 5.0 1326 1030 B 71 TYR HA B 22 ALA HB1 1.0 1.8 5.0 1327 1031 B 73 HIS HA B 24 GLN HGx 1.0 1.8 5.0 1328 1031 B 73 HIS HA B 24 GLN HGy 1.0 1.8 5.0 1329 1032 B 29 GLU HA B 33 PHE HD% 1.0 1.8 5.0 1330 1033 B 29 GLU HA B 33 PHE HE% 1.0 1.8 5.0 1331 1034 B 30 ILE HA B 35 LEU HBx 1.0 1.8 5.0 1332 1034 B 30 ILE HA B 35 LEU HBy 1.0 1.8 5.0 1333 1035 B 30 ILE HA B 35 LEU HD11 1.0 1.8 5.0 1334 1036 B 30 ILE HA B 35 LEU HD11 1.0 1.8 5.0 1335 1036 B 30 ILE HA B 35 LEU HD21 1.0 1.8 5.0 1336 1037 B 30 ILE HA B 35 LEU HG 1.0 1.8 5.0 1337 1038 B 73 HIS HA B 30 ILE HD11 1.0 1.8 5.0 1338 1039 B 93 ASP HA B 35 LEU HD21 1.0 1.8 5.0 1339 1040 B 36 VAL HA B 91 TYR HD% 1.0 1.8 5.0 1340 1041 B 36 VAL HG11 B 91 TYR HA 1.0 1.8 5.0 1341 1042 B 94 ALA HA B 36 VAL HG11 1.0 1.8 5.0 1342 1043 B 94 ALA HA B 36 VAL HG21 1.0 1.8 5.0 1343 1044 B 37 LYS HA B 91 TYR HD% 1.0 1.8 5.0 1344 1045 B 37 LYS HA B 91 TYR HE% 1.0 1.8 5.0 1345 1046 B 38 VAL HG11 B 68 GLY HAx 1.0 1.8 5.0 1346 1046 B 38 VAL HG11 B 68 GLY HAy 1.0 1.8 5.0 1347 1047 B 38 VAL HG11 B 69 GLY HAx 1.0 1.8 5.0 1348 1047 B 69 GLY HAy B 38 VAL HG11 1.0 1.8 5.0 1349 1048 B 38 VAL HG11 B 91 TYR HA 1.0 1.8 6.0 1350 1049 B 38 VAL HG21 B 69 GLY HAx 1.0 1.8 5.0 1351 1049 B 69 GLY HAy B 38 VAL HG21 1.0 1.8 5.0 1352 1050 B 38 VAL HG21 B 91 TYR HA 1.0 1.8 5.0 1353 1051 B 39 GLY HAx B 67 LYS HDx 1.0 1.8 5.0 1354 1051 B 39 GLY HAy B 67 LYS HDx 1.0 1.8 5.0 1355 1051 B 67 LYS HDy B 39 GLY HAx 1.0 1.8 5.0 1356 1051 B 67 LYS HDy B 39 GLY HAy 1.0 1.8 5.0 1357 1052 B 39 GLY HAy B 67 LYS HEx 1.0 1.8 5.0 1358 1052 B 67 LYS HEy B 39 GLY HAx 1.0 1.8 5.0 1359 1052 B 67 LYS HEy B 39 GLY HAy 1.0 1.8 5.0 1360 1052 B 39 GLY HAx B 67 LYS HEx 1.0 1.8 5.0 1361 1053 B 39 GLY HAx B 67 LYS HGx 1.0 1.8 5.0 1362 1053 B 39 GLY HAy B 67 LYS HGx 1.0 1.8 5.0 1363 1053 B 67 LYS HGy B 39 GLY HAx 1.0 1.8 5.0 1364 1053 B 67 LYS HGy B 39 GLY HAy 1.0 1.8 5.0 1365 1054 B 90 VAL HB B 39 GLY HAx 1.0 1.8 5.0 1366 1054 B 90 VAL HB B 39 GLY HAy 1.0 1.8 5.0 1367 1055 B 40 THR HA B 90 VAL HB 1.0 1.8 5.0 1368 1056 B 40 THR HA B 90 VAL HG21 1.0 1.8 5.0 1369 1057 B 40 THR HB B 89 GLU HA 1.0 1.8 5.0 1370 1058 B 40 THR HG21 B 89 GLU HA 1.0 1.8 5.0 1371 1059 B 41 ILE HA B 63 LEU HD11 1.0 1.8 5.0 1372 1060 B 60 LEU HA B 41 ILE HD11 1.0 1.8 5.0 1373 1061 B 61 SER HA B 41 ILE HD11 1.0 1.8 6.0 1374 1062 B 64 ALA HA B 41 ILE HD11 1.0 1.8 5.0 1375 1063 B 60 LEU HA B 41 ILE HG21 1.0 1.8 5.0 1376 1064 B 63 LEU HA B 41 ILE HG21 1.0 1.8 5.0 1377 1065 B 64 ALA HA B 41 ILE HG21 1.0 1.8 5.0 1378 1066 B 42 ASN HA B 60 LEU HD21 1.0 1.8 5.0 1379 1067 B 42 ASN HA B 86 ALA HB1 1.0 1.8 5.0 1380 1068 B 42 ASN HA B 87 VAL HG11 1.0 1.8 6.0 1381 1069 B 42 ASN HA B 87 VAL HG21 1.0 1.8 6.0 1382 1070 B 42 ASN HA B 88 ALA HB1 1.0 1.8 6.0 1383 1071 B 87 VAL HA B 42 ASN HBx 1.0 1.8 5.0 1384 1071 B 87 VAL HA B 42 ASN HBy 1.0 1.8 5.0 1385 1072 B 43 VAL HA B 63 LEU HD11 1.0 1.8 5.0 1386 1073 B 85 GLU HA B 43 VAL HB 1.0 1.8 5.0 1387 1074 B 56 LEU HA B 43 VAL HG11 1.0 1.8 5.0 1388 1075 B 85 GLU HA B 43 VAL HG11 1.0 1.8 5.0 1389 1076 B 60 LEU HA B 43 VAL HG21 1.0 1.8 5.0 1390 1077 B 44 SER HA B 84 PHE HD% 1.0 1.8 5.0 1391 1078 B 44 SER HA B 85 GLU HBx 1.0 1.8 5.0 1392 1078 B 44 SER HA B 85 GLU HBy 1.0 1.8 5.0 1393 1079 B 44 SER HA B 85 GLU HGx 1.0 1.8 5.0 1394 1079 B 44 SER HA B 85 GLU HGy 1.0 1.8 5.0 1395 1080 B 85 GLU HA B 44 SER HBx 1.0 1.8 5.0 1396 1080 B 85 GLU HA B 44 SER HBy 1.0 1.8 5.0 1397 1081 B 45 GLN HA B 49 GLN HBx 1.0 1.8 5.0 1398 1081 B 45 GLN HA B 49 GLN HBy 1.0 1.8 5.0 1399 1082 B 46 SER HA B 83 ASN HBx 1.0 1.8 5.0 1400 1082 B 46 SER HA B 83 ASN HBy 1.0 1.8 5.0 1401 1083 B 83 ASN HA B 46 SER HBx 1.0 1.8 5.0 1402 1083 B 83 ASN HA B 46 SER HBy 1.0 1.8 5.0 1403 1084 B 47 GLY HAy B 84 PHE HBx 1.0 1.8 5.0 1404 1084 B 47 GLY HAx B 84 PHE HBx 1.0 1.8 5.0 1405 1084 B 84 PHE HBy B 47 GLY HAx 1.0 1.8 5.0 1406 1084 B 47 GLY HAy B 84 PHE HBy 1.0 1.8 5.0 1407 1085 B 50 ILE HA B 55 ASP HBx 1.0 1.8 5.0 1408 1085 B 50 ILE HA B 55 ASP HBy 1.0 1.8 5.0 1409 1086 B 56 LEU HA B 50 ILE HD11 1.0 1.8 5.0 1410 1087 B 53 PRO HA B 50 ILE HG21 1.0 1.8 5.0 1411 1088 B 56 LEU HA B 50 ILE HG21 1.0 1.8 5.0 1412 1089 B 59 LYS HA B 63 LEU HD11 1.0 1.8 5.0 1413 1090 B 59 LYS HA B 63 LEU HD21 1.0 1.8 5.0 1414 1091 B 74 ILE HA B 60 LEU HD11 1.0 1.8 5.0 1415 1092 B 61 SER HA B 72 TYR HE% 1.0 1.8 5.0 1416 1093 B 63 LEU HA B 67 LYS HGx 1.0 1.8 5.0 1417 1093 B 63 LEU HA B 67 LYS HGy 1.0 1.8 5.0 1418 1094 B 64 ALA HA B 90 VAL HG11 1.0 1.8 5.0 1419 1095 B 64 ALA HA B 90 VAL HG21 1.0 1.8 5.0 1420 1096 B 72 TYR HA B 64 ALA HB1 1.0 1.8 5.0 1421 1097 B 64 ALA HB1 B 90 VAL HA 1.0 1.8 5.0 1422 1098 B 90 VAL HG11 B 69 GLY HAx 1.0 1.8 5.0 1423 1098 B 69 GLY HAy B 90 VAL HG11 1.0 1.8 5.0 1424 1099 B 90 VAL HG21 B 69 GLY HAx 1.0 1.8 6.0 1425 1099 B 69 GLY HAy B 90 VAL HG21 1.0 1.8 6.0 1426 1100 B 69 GLY HAx B 92 ASN HD2x 1.0 1.8 5.0 1427 1100 B 69 GLY HAy B 92 ASN HD2x 1.0 1.8 5.0 1428 1100 B 92 ASN HD2y B 69 GLY HAx 1.0 1.8 5.0 1429 1100 B 69 GLY HAy B 92 ASN HD2y 1.0 1.8 5.0 1430 1101 B 92 ASN HA B 70 LYS HBx 1.0 1.8 5.0 1431 1101 B 92 ASN HA B 70 LYS HBy 1.0 1.8 5.0 1432 1102 B 72 TYR HA B 88 ALA HB1 1.0 1.8 6.0 1433 1103 B 72 TYR HA B 90 VAL HG11 1.0 1.8 5.0 1434 1104 B 72 TYR HA B 90 VAL HG21 1.0 1.8 5.0 1435 1105 B 72 TYR HA B 91 TYR HD% 1.0 1.8 5.0 1436 1106 B 90 VAL HA B 72 TYR HBx 1.0 1.8 5.0 1437 1106 B 72 TYR HBy B 90 VAL HA 1.0 1.8 5.0 1438 1107 B 74 ILE HA B 88 ALA HB1 1.0 1.8 5.0 1439 1108 B 74 ILE HD11 B 88 ALA HA 1.0 1.8 6.0 1440 1109 B 88 ALA HA B 74 ILE HG1x 1.0 1.8 5.0 1441 1109 B 74 ILE HG1y B 88 ALA HA 1.0 1.8 5.0 1442 1110 B 77 ALA HA B 74 ILE HG21 1.0 1.8 5.0 1443 1111 B 86 ALA HA B 74 ILE HG21 1.0 1.8 6.0 1444 1112 B 74 ILE HG21 B 88 ALA HA 1.0 1.8 6.0 1445 1113 B 75 ILE HD11 B 88 ALA HA 1.0 1.8 5.0 1446 1114 B 88 ALA HA B 75 ILE HG1x 1.0 1.8 5.0 1447 1114 B 75 ILE HG1y B 88 ALA HA 1.0 1.8 5.0 1448 1115 B 75 ILE HG21 B 88 ALA HA 1.0 1.8 5.0 1449 1116 B 75 ILE HG21 B 89 GLU HA 1.0 1.8 5.0 1450 1117 B 77 ALA HA B 86 ALA HB1 1.0 1.8 5.0 1451 1118 B 86 ALA HA B 77 ALA HB1 1.0 1.8 5.0 1452 1119 B 78 ARG HA B 84 PHE HE% 1.0 1.8 5.0 1453 1120 B 84 PHE HD% B 79 GLU HA 1.0 1.8 5.0 1454 1121 A 22 ALA HB% A 64 ALA HB% 1.0 1.8 5.0 1455 1122 A 22 ALA HB% A 72 TYR HD% 1.0 1.8 5.0 1456 1123 A 22 ALA HB% A 72 TYR HE% 1.0 1.8 5.0 1457 1124 A 22 ALA HB% A 72 TYR HB2 1.0 1.8 5.0 1458 1124 A 22 ALA HB% A 72 TYR HB3 1.0 1.8 5.0 1459 1125 A 25 VAL HG1% A 71 TYR HBy 1.0 1.8 5.0 1460 1125 A 71 TYR HBx A 25 VAL HG1% 1.0 1.8 5.0 1461 1126 A 72 TYR HE% A 24 GLN HBy 1.0 1.8 5.0 1462 1126 A 72 TYR HE% A 24 GLN HBx 1.0 1.8 5.0 1463 1127 A 74 ILE HD1% A 24 GLN HE2x 1.0 1.8 5.0 1464 1127 A 74 ILE HD1% A 24 GLN HE2y 1.0 1.8 5.0 1465 1128 A 25 VAL HG1% A 30 ILE HD1% 1.0 1.8 5.0 1466 1129 A 25 VAL HG1% A 35 LEU HD1% 1.0 1.8 5.0 1467 1130 A 25 VAL HG1% A 71 TYR HBy 1.0 1.8 5.0 1468 1130 A 71 TYR HBx A 25 VAL HG1% 1.0 1.8 5.0 1469 1131 A 25 VAL HG2% A 35 LEU HD1% 1.0 1.8 5.0 1470 1132 A 25 VAL HG2% A 71 TYR HBy 1.0 1.8 5.0 1471 1132 A 71 TYR HBx A 25 VAL HG2% 1.0 1.8 5.0 1472 1133 A 33 PHE HD% A 29 GLU HBy 1.0 1.8 5.0 1473 1133 A 29 GLU HBx A 33 PHE HD% 1.0 1.8 5.0 1474 1134 A 33 PHE HD% A 29 GLU HBy 1.0 1.8 5.0 1475 1134 A 29 GLU HBx A 33 PHE HD% 1.0 1.8 5.0 1476 1135 A 35 LEU HD1% A 29 GLU HBy 1.0 1.8 5.0 1477 1135 A 29 GLU HBx A 35 LEU HD1% 1.0 1.8 5.0 1478 1136 A 33 PHE HD% A 29 GLU HGy 1.0 1.8 5.0 1479 1136 A 33 PHE HD% A 29 GLU HGx 1.0 1.8 5.0 1480 1137 A 33 PHE HE% A 29 GLU HGy 1.0 1.8 5.0 1481 1137 A 33 PHE HE% A 29 GLU HGx 1.0 1.8 5.0 1482 1138 A 33 PHE HE% A 29 GLU HGy 1.0 1.8 5.0 1483 1138 A 33 PHE HE% A 29 GLU HGx 1.0 1.8 5.0 1484 1139 A 30 ILE HD1% A 35 LEU HD1% 1.0 1.8 6.0 1485 1140 A 30 ILE HD1% A 73 HIS HBy 1.0 1.8 5.0 1486 1140 A 30 ILE HD1% A 73 HIS HBx 1.0 1.8 5.0 1487 1141 A 30 ILE HD1% A 91 TYR HD% 1.0 1.8 5.0 1488 1142 A 30 ILE HD1% A 91 TYR HE% 1.0 1.8 5.0 1489 1143 A 35 LEU HD1% A 30 ILE HG1x 1.0 1.8 5.0 1490 1143 A 30 ILE HG1y A 35 LEU HD1% 1.0 1.8 5.0 1491 1144 A 30 ILE HG2% A 35 LEU HB2 1.0 1.8 5.0 1492 1144 A 35 LEU HB3 A 30 ILE HG2% 1.0 1.8 5.0 1493 1145 A 30 ILE HG2% A 35 LEU HD1% 1.0 1.8 5.0 1494 1146 A 30 ILE HG2% A 35 LEU HG 1.0 1.8 5.0 1495 1147 A 30 ILE HG2% A 91 TYR HD% 1.0 1.8 5.0 1496 1148 A 30 ILE HG2% A 91 TYR HE% 1.0 1.8 5.0 1497 1149 A 31 SER HB2 A 34 LYS HDy 1.0 1.8 5.0 1498 1149 A 34 LYS HDx A 31 SER HB2 1.0 1.8 5.0 1499 1149 A 31 SER HB3 A 34 LYS HDx 1.0 1.8 5.0 1500 1149 A 31 SER HB3 A 34 LYS HDy 1.0 1.8 5.0 1501 1150 A 35 LEU HG A 33 PHE HBx 1.0 1.8 5.0 1502 1150 A 33 PHE HBy A 35 LEU HG 1.0 1.8 5.0 1503 1151 A 35 LEU HD2% A 33 PHE HBx 1.0 1.8 5.0 1504 1151 A 33 PHE HBy A 35 LEU HD2% 1.0 1.8 5.0 1505 1152 A 35 LEU HG A 33 PHE HBx 1.0 1.8 5.0 1506 1152 A 33 PHE HBy A 35 LEU HG 1.0 1.8 5.0 1507 1153 A 35 LEU HD2% A 33 PHE HD% 1.0 1.8 5.0 1508 1154 A 35 LEU HG A 33 PHE HD% 1.0 1.8 5.0 1509 1155 A 91 TYR HD% A 35 LEU HB2 1.0 1.8 5.0 1510 1155 A 35 LEU HB3 A 91 TYR HD% 1.0 1.8 5.0 1511 1156 A 91 TYR HE% A 35 LEU HB2 1.0 1.8 5.0 1512 1156 A 35 LEU HB3 A 91 TYR HE% 1.0 1.8 5.0 1513 1157 A 35 LEU HD1% A 71 TYR HBy 1.0 1.8 5.0 1514 1157 A 71 TYR HBx A 35 LEU HD1% 1.0 1.8 5.0 1515 1158 A 35 LEU HD1% A 91 TYR HBy 1.0 1.8 5.0 1516 1158 A 91 TYR HBx A 35 LEU HD1% 1.0 1.8 5.0 1517 1159 A 35 LEU HD1% A 91 TYR HD% 1.0 1.8 5.0 1518 1160 A 35 LEU HD1% A 91 TYR HE% 1.0 1.8 5.0 1519 1161 A 35 LEU HD2% A 91 TYR HD% 1.0 1.8 5.0 1520 1162 A 35 LEU HG A 91 TYR HBy 1.0 1.8 5.0 1521 1162 A 91 TYR HBx A 35 LEU HG 1.0 1.8 5.0 1522 1163 A 36 VAL HB A 92 ASN HB2 1.0 1.8 5.0 1523 1163 A 36 VAL HB A 92 ASN HB3 1.0 1.8 5.0 1524 1164 A 36 VAL HG1% A 91 TYR HD% 1.0 1.8 5.0 1525 1165 A 36 VAL HG1% A 92 ASN HB2 1.0 1.8 5.0 1526 1165 A 92 ASN HB3 A 36 VAL HG1% 1.0 1.8 5.0 1527 1166 A 94 ALA HB% A 36 VAL HG1% 1.0 1.8 5.0 1528 1167 A 36 VAL HG2% A 91 TYR HD% 1.0 1.8 6.0 1529 1168 A 36 VAL HG2% A 92 ASN HB2 1.0 1.8 5.0 1530 1168 A 92 ASN HB3 A 36 VAL HG2% 1.0 1.8 5.0 1531 1169 A 94 ALA HB% A 36 VAL HG2% 1.0 1.8 5.0 1532 1170 A 91 TYR HE% A 37 LYS HBx 1.0 1.8 5.0 1533 1170 A 37 LYS HBy A 91 TYR HE% 1.0 1.8 5.0 1534 1171 A 91 TYR HE% A 37 LYS HBx 1.0 1.8 5.0 1535 1171 A 37 LYS HBy A 91 TYR HE% 1.0 1.8 5.0 1536 1172 A 37 LYS HD2 A 89 GLU HGy 1.0 1.8 6.0 1537 1172 A 37 LYS HD3 A 89 GLU HGy 1.0 1.8 6.0 1538 1172 A 89 GLU HGx A 37 LYS HD2 1.0 1.8 6.0 1539 1172 A 89 GLU HGx A 37 LYS HD3 1.0 1.8 6.0 1540 1173 A 91 TYR HD% A 37 LYS HD2 1.0 1.8 5.0 1541 1173 A 91 TYR HD% A 37 LYS HD3 1.0 1.8 5.0 1542 1174 A 91 TYR HE% A 37 LYS HD2 1.0 1.8 5.0 1543 1174 A 37 LYS HD3 A 91 TYR HE% 1.0 1.8 5.0 1544 1175 A 37 LYS HEx A 89 GLU HB2 1.0 1.8 5.0 1545 1175 A 89 GLU HB3 A 37 LYS HEy 1.0 1.8 5.0 1546 1175 A 89 GLU HB3 A 37 LYS HEx 1.0 1.8 5.0 1547 1175 A 37 LYS HEy A 89 GLU HB2 1.0 1.8 5.0 1548 1176 A 37 LYS HEy A 89 GLU HGy 1.0 1.8 5.0 1549 1176 A 37 LYS HEx A 89 GLU HGy 1.0 1.8 5.0 1550 1176 A 89 GLU HGx A 37 LYS HEy 1.0 1.8 5.0 1551 1176 A 89 GLU HGx A 37 LYS HEx 1.0 1.8 5.0 1552 1177 A 91 TYR HE% A 37 LYS HEy 1.0 1.8 6.0 1553 1177 A 37 LYS HEx A 91 TYR HE% 1.0 1.8 6.0 1554 1178 A 38 VAL HB A 90 VAL HB 1.0 1.8 5.0 1555 1179 A 38 VAL HB A 90 VAL HG1% 1.0 1.8 5.0 1556 1180 A 90 VAL HB A 38 VAL HG1% 1.0 1.8 5.0 1557 1181 A 38 VAL HG1% A 92 ASN HB2 1.0 1.8 5.0 1558 1181 A 92 ASN HB3 A 38 VAL HG1% 1.0 1.8 5.0 1559 1182 A 38 VAL HG1% A 92 ASN HD2y 1.0 1.8 5.0 1560 1182 A 38 VAL HG1% A 92 ASN HD2x 1.0 1.8 5.0 1561 1183 A 90 VAL HB A 38 VAL HG2% 1.0 1.8 5.0 1562 1184 A 38 VAL HG2% A 90 VAL HG1% 1.0 1.8 5.0 1563 1185 A 38 VAL HG2% A 92 ASN HB2 1.0 1.8 5.0 1564 1185 A 92 ASN HB3 A 38 VAL HG2% 1.0 1.8 5.0 1565 1186 A 38 VAL HG2% A 92 ASN HD2y 1.0 1.8 5.0 1566 1186 A 38 VAL HG2% A 92 ASN HD2x 1.0 1.8 5.0 1567 1187 A 40 THR HB A 87 VAL HG1% 1.0 1.8 6.0 1568 1188 A 40 THR HG2% A 42 ASN HD21 1.0 1.8 6.0 1569 1188 A 40 THR HG2% A 42 ASN HD22 1.0 1.8 6.0 1570 1189 A 87 VAL HB A 40 THR HG2% 1.0 1.8 5.0 1571 1190 A 40 THR HG2% A 87 VAL HG1% 1.0 1.8 5.0 1572 1191 A 40 THR HG2% A 89 GLU HGy 1.0 1.8 5.0 1573 1191 A 40 THR HG2% A 89 GLU HGx 1.0 1.8 5.0 1574 1192 A 41 ILE HB A 63 LEU HBy 1.0 1.8 5.0 1575 1192 A 41 ILE HB A 63 LEU HBx 1.0 1.8 5.0 1576 1193 A 41 ILE HB A 63 LEU HD1% 1.0 1.8 5.0 1577 1194 A 41 ILE HB A 90 VAL HG2% 1.0 1.8 5.0 1578 1195 A 41 ILE HD1% A 60 LEU HB2 1.0 1.8 5.0 1579 1195 A 60 LEU HB3 A 41 ILE HD1% 1.0 1.8 5.0 1580 1196 A 60 LEU HD2% A 41 ILE HD1% 1.0 1.8 5.0 1581 1197 A 41 ILE HD1% A 63 LEU HBy 1.0 1.8 5.0 1582 1197 A 63 LEU HBx A 41 ILE HD1% 1.0 1.8 5.0 1583 1198 A 63 LEU HD1% A 41 ILE HD1% 1.0 1.8 5.0 1584 1199 A 63 LEU HG A 41 ILE HD1% 1.0 1.8 5.0 1585 1200 A 64 ALA HB% A 41 ILE HD1% 1.0 1.8 5.0 1586 1201 A 41 ILE HD1% A 72 TYR HB2 1.0 1.8 5.0 1587 1201 A 72 TYR HB3 A 41 ILE HD1% 1.0 1.8 5.0 1588 1202 A 72 TYR HD% A 41 ILE HD1% 1.0 1.8 5.0 1589 1203 A 90 VAL HG1% A 41 ILE HD1% 1.0 1.8 5.0 1590 1204 A 90 VAL HG2% A 41 ILE HD1% 1.0 1.8 5.0 1591 1205 A 60 LEU HD2% A 41 ILE HG1y 1.0 1.8 5.0 1592 1205 A 60 LEU HD2% A 41 ILE HG1x 1.0 1.8 5.0 1593 1206 A 90 VAL HG2% A 41 ILE HG1y 1.0 1.8 5.0 1594 1206 A 90 VAL HG2% A 41 ILE HG1x 1.0 1.8 5.0 1595 1207 A 41 ILE HG2% A 63 LEU HBy 1.0 1.8 5.0 1596 1207 A 63 LEU HBx A 41 ILE HG2% 1.0 1.8 5.0 1597 1208 A 64 ALA HB% A 41 ILE HG2% 1.0 1.8 5.0 1598 1209 A 41 ILE HG2% A 67 LYS HBy 1.0 1.8 5.0 1599 1209 A 67 LYS HBx A 41 ILE HG2% 1.0 1.8 5.0 1600 1210 A 41 ILE HG2% A 67 LYS HD2 1.0 1.8 5.0 1601 1210 A 41 ILE HG2% A 67 LYS HD3 1.0 1.8 5.0 1602 1211 A 41 ILE HG2% A 67 LYS HE2 1.0 1.8 5.0 1603 1211 A 41 ILE HG2% A 67 LYS HE3 1.0 1.8 5.0 1604 1212 A 41 ILE HG2% A 67 LYS HGy 1.0 1.8 5.0 1605 1212 A 41 ILE HG2% A 67 LYS HGx 1.0 1.8 5.0 1606 1213 A 90 VAL HB A 41 ILE HG2% 1.0 1.8 5.0 1607 1214 A 87 VAL HG1% A 42 ASN HB2 1.0 1.8 5.0 1608 1214 A 42 ASN HB3 A 87 VAL HG1% 1.0 1.8 5.0 1609 1215 A 87 VAL HG2% A 42 ASN HB2 1.0 1.8 5.0 1610 1215 A 42 ASN HB3 A 87 VAL HG2% 1.0 1.8 5.0 1611 1216 A 87 VAL HG1% A 42 ASN HD21 1.0 1.8 6.0 1612 1216 A 87 VAL HG1% A 42 ASN HD22 1.0 1.8 6.0 1613 1217 A 87 VAL HG2% A 42 ASN HD21 1.0 1.8 5.0 1614 1217 A 87 VAL HG2% A 42 ASN HD22 1.0 1.8 5.0 1615 1218 A 60 LEU HD2% A 43 VAL HB 1.0 1.8 5.0 1616 1219 A 43 VAL HB A 86 ALA HB% 1.0 1.8 5.0 1617 1220 A 43 VAL HG1% A 45 GLN HBy 1.0 1.8 5.0 1618 1220 A 45 GLN HBx A 43 VAL HG1% 1.0 1.8 5.0 1619 1221 A 43 VAL HG1% A 45 GLN HE22 1.0 1.8 5.0 1620 1221 A 43 VAL HG1% A 45 GLN HE21 1.0 1.8 5.0 1621 1222 A 43 VAL HG1% A 45 GLN HG2 1.0 1.8 5.0 1622 1222 A 43 VAL HG1% A 45 GLN HG3 1.0 1.8 5.0 1623 1223 A 43 VAL HG1% A 50 ILE HD1% 1.0 1.8 5.0 1624 1224 A 43 VAL HG1% A 59 LYS HBy 1.0 1.8 5.0 1625 1224 A 59 LYS HBx A 43 VAL HG1% 1.0 1.8 5.0 1626 1225 A 43 VAL HG1% A 59 LYS HE2 1.0 1.8 5.0 1627 1225 A 43 VAL HG1% A 59 LYS HE3 1.0 1.8 5.0 1628 1226 A 43 VAL HG1% A 59 LYS HGy 1.0 1.8 5.0 1629 1226 A 43 VAL HG1% A 59 LYS HGx 1.0 1.8 5.0 1630 1227 A 43 VAL HG1% A 84 PHE HD% 1.0 1.8 5.0 1631 1228 A 43 VAL HG1% A 84 PHE HE% 1.0 1.8 5.0 1632 1229 A 43 VAL HG2% A 45 GLN HE22 1.0 1.8 5.0 1633 1229 A 43 VAL HG2% A 45 GLN HE21 1.0 1.8 5.0 1634 1230 A 43 VAL HG2% A 45 GLN HG2 1.0 1.8 5.0 1635 1230 A 43 VAL HG2% A 45 GLN HG3 1.0 1.8 5.0 1636 1231 A 43 VAL HG2% A 59 LYS HBy 1.0 1.8 5.0 1637 1231 A 59 LYS HBx A 43 VAL HG2% 1.0 1.8 5.0 1638 1232 A 43 VAL HG2% A 59 LYS HE2 1.0 1.8 5.0 1639 1232 A 43 VAL HG2% A 59 LYS HE3 1.0 1.8 5.0 1640 1233 A 43 VAL HG2% A 59 LYS HGy 1.0 1.8 5.0 1641 1233 A 43 VAL HG2% A 59 LYS HGx 1.0 1.8 5.0 1642 1234 A 43 VAL HG2% A 60 LEU HB2 1.0 1.8 5.0 1643 1234 A 60 LEU HB3 A 43 VAL HG2% 1.0 1.8 5.0 1644 1235 A 43 VAL HG2% A 60 LEU HD2% 1.0 1.8 5.0 1645 1236 A 43 VAL HG2% A 60 LEU HG 1.0 1.8 5.0 1646 1237 A 43 VAL HG2% A 86 ALA HB% 1.0 1.8 5.0 1647 1238 A 44 SER HB3 A 85 GLU HBy 1.0 1.8 5.0 1648 1238 A 44 SER HB2 A 85 GLU HBy 1.0 1.8 5.0 1649 1238 A 85 GLU HBx A 44 SER HB2 1.0 1.8 5.0 1650 1238 A 44 SER HB3 A 85 GLU HBx 1.0 1.8 5.0 1651 1239 A 44 SER HB3 A 85 GLU HG2 1.0 1.8 5.0 1652 1239 A 44 SER HB2 A 85 GLU HG2 1.0 1.8 5.0 1653 1239 A 85 GLU HG3 A 44 SER HB2 1.0 1.8 5.0 1654 1239 A 44 SER HB3 A 85 GLU HG3 1.0 1.8 5.0 1655 1240 A 50 ILE HD1% A 45 GLN HBy 1.0 1.8 5.0 1656 1240 A 45 GLN HBx A 50 ILE HD1% 1.0 1.8 5.0 1657 1241 A 45 GLN HBx A 50 ILE HG1y 1.0 1.8 5.0 1658 1241 A 45 GLN HBy A 50 ILE HG1y 1.0 1.8 5.0 1659 1241 A 50 ILE HG1x A 45 GLN HBy 1.0 1.8 5.0 1660 1241 A 45 GLN HBx A 50 ILE HG1x 1.0 1.8 5.0 1661 1242 A 45 GLN HBy A 84 PHE HBy 1.0 1.8 5.0 1662 1242 A 45 GLN HBx A 84 PHE HBy 1.0 1.8 5.0 1663 1242 A 84 PHE HBx A 45 GLN HBy 1.0 1.8 5.0 1664 1242 A 45 GLN HBx A 84 PHE HBx 1.0 1.8 5.0 1665 1243 A 84 PHE HD% A 45 GLN HBy 1.0 1.8 5.0 1666 1243 A 45 GLN HBx A 84 PHE HD% 1.0 1.8 5.0 1667 1244 A 45 GLN HE21 A 49 GLN HB2 1.0 1.8 5.0 1668 1244 A 45 GLN HE22 A 49 GLN HB2 1.0 1.8 5.0 1669 1244 A 49 GLN HB3 A 45 GLN HE22 1.0 1.8 5.0 1670 1244 A 49 GLN HB3 A 45 GLN HE21 1.0 1.8 5.0 1671 1245 A 50 ILE HD1% A 45 GLN HE22 1.0 1.8 5.0 1672 1245 A 50 ILE HD1% A 45 GLN HE21 1.0 1.8 5.0 1673 1246 A 45 GLN HG3 A 49 GLN HB2 1.0 1.8 5.0 1674 1246 A 45 GLN HG2 A 49 GLN HB2 1.0 1.8 5.0 1675 1246 A 49 GLN HB3 A 45 GLN HG2 1.0 1.8 5.0 1676 1246 A 49 GLN HB3 A 45 GLN HG3 1.0 1.8 5.0 1677 1247 A 45 GLN HG3 A 49 GLN HE22 1.0 1.8 5.0 1678 1247 A 45 GLN HG2 A 49 GLN HE22 1.0 1.8 5.0 1679 1247 A 49 GLN HE21 A 45 GLN HG2 1.0 1.8 5.0 1680 1247 A 45 GLN HG3 A 49 GLN HE21 1.0 1.8 5.0 1681 1248 A 50 ILE HD1% A 45 GLN HG2 1.0 1.8 5.0 1682 1248 A 45 GLN HG3 A 50 ILE HD1% 1.0 1.8 5.0 1683 1249 A 45 GLN HG2 A 50 ILE HG1y 1.0 1.8 5.0 1684 1249 A 45 GLN HG3 A 50 ILE HG1y 1.0 1.8 5.0 1685 1249 A 50 ILE HG1x A 45 GLN HG2 1.0 1.8 5.0 1686 1249 A 45 GLN HG3 A 50 ILE HG1x 1.0 1.8 5.0 1687 1250 A 45 GLN HG3 A 59 LYS HDy 1.0 1.8 5.0 1688 1250 A 45 GLN HG2 A 59 LYS HDy 1.0 1.8 5.0 1689 1250 A 59 LYS HDx A 45 GLN HG2 1.0 1.8 5.0 1690 1250 A 45 GLN HG3 A 59 LYS HDx 1.0 1.8 5.0 1691 1251 A 45 GLN HG3 A 59 LYS HGy 1.0 1.8 5.0 1692 1251 A 45 GLN HG2 A 59 LYS HGy 1.0 1.8 5.0 1693 1251 A 59 LYS HGx A 45 GLN HG2 1.0 1.8 5.0 1694 1251 A 45 GLN HG3 A 59 LYS HGx 1.0 1.8 5.0 1695 1252 A 46 SER HBx A 49 GLN HG2 1.0 1.8 5.0 1696 1252 A 46 SER HBy A 49 GLN HG2 1.0 1.8 5.0 1697 1252 A 49 GLN HG3 A 46 SER HBy 1.0 1.8 5.0 1698 1252 A 49 GLN HG3 A 46 SER HBx 1.0 1.8 5.0 1699 1253 A 50 ILE HB A 55 ASP HBy 1.0 1.8 5.0 1700 1253 A 50 ILE HB A 55 ASP HBx 1.0 1.8 5.0 1701 1254 A 50 ILE HB A 84 PHE HD% 1.0 1.8 5.0 1702 1255 A 50 ILE HB A 84 PHE HE% 1.0 1.8 5.0 1703 1256 A 50 ILE HD1% A 55 ASP HBy 1.0 1.8 5.0 1704 1256 A 55 ASP HBx A 50 ILE HD1% 1.0 1.8 5.0 1705 1257 A 50 ILE HD1% A 56 LEU HD1% 1.0 1.8 5.0 1706 1258 A 50 ILE HD1% A 56 LEU HD2% 1.0 1.8 6.0 1707 1259 A 50 ILE HD1% A 59 LYS HBy 1.0 1.8 5.0 1708 1259 A 59 LYS HBx A 50 ILE HD1% 1.0 1.8 5.0 1709 1260 A 50 ILE HD1% A 59 LYS HDy 1.0 1.8 5.0 1710 1260 A 50 ILE HD1% A 59 LYS HDx 1.0 1.8 5.0 1711 1261 A 50 ILE HD1% A 59 LYS HGy 1.0 1.8 5.0 1712 1261 A 50 ILE HD1% A 59 LYS HGx 1.0 1.8 5.0 1713 1262 A 50 ILE HD1% A 84 PHE HBy 1.0 1.8 6.0 1714 1262 A 50 ILE HD1% A 84 PHE HBx 1.0 1.8 6.0 1715 1263 A 50 ILE HD1% A 84 PHE HD% 1.0 1.8 5.0 1716 1264 A 50 ILE HD1% A 84 PHE HE% 1.0 1.8 5.0 1717 1265 A 50 ILE HG1y A 59 LYS HE2 1.0 1.8 5.0 1718 1265 A 59 LYS HE3 A 50 ILE HG1y 1.0 1.8 5.0 1719 1265 A 50 ILE HG1x A 59 LYS HE3 1.0 1.8 5.0 1720 1265 A 50 ILE HG1x A 59 LYS HE2 1.0 1.8 5.0 1721 1266 A 84 PHE HD% A 50 ILE HG1y 1.0 1.8 5.0 1722 1266 A 50 ILE HG1x A 84 PHE HD% 1.0 1.8 5.0 1723 1267 A 50 ILE HG2% A 55 ASP HBy 1.0 1.8 5.0 1724 1267 A 55 ASP HBx A 50 ILE HG2% 1.0 1.8 5.0 1725 1268 A 50 ILE HG2% A 56 LEU HB2 1.0 1.8 5.0 1726 1268 A 56 LEU HB3 A 50 ILE HG2% 1.0 1.8 5.0 1727 1269 A 50 ILE HG2% A 56 LEU HD1% 1.0 1.8 5.0 1728 1270 A 50 ILE HG2% A 56 LEU HD2% 1.0 1.8 5.0 1729 1271 A 50 ILE HG2% A 84 PHE HD% 1.0 1.8 5.0 1730 1272 A 50 ILE HG2% A 84 PHE HE% 1.0 1.8 5.0 1731 1273 A 51 SER HBx A 55 ASP HBy 1.0 1.8 5.0 1732 1273 A 51 SER HBy A 55 ASP HBy 1.0 1.8 5.0 1733 1273 A 55 ASP HBx A 51 SER HBy 1.0 1.8 5.0 1734 1273 A 51 SER HBx A 55 ASP HBx 1.0 1.8 5.0 1735 1274 A 60 LEU HD1% A 56 LEU HB2 1.0 1.8 5.0 1736 1274 A 56 LEU HB3 A 60 LEU HD1% 1.0 1.8 5.0 1737 1275 A 56 LEU HD1% A 60 LEU HB2 1.0 1.8 5.0 1738 1275 A 60 LEU HB3 A 56 LEU HD1% 1.0 1.8 5.0 1739 1276 A 56 LEU HD1% A 60 LEU HD1% 1.0 1.8 5.0 1740 1277 A 56 LEU HD1% A 60 LEU HD2% 1.0 1.8 5.0 1741 1278 A 56 LEU HD1% A 60 LEU HG 1.0 1.8 5.0 1742 1279 A 56 LEU HD1% A 84 PHE HD% 1.0 1.8 6.0 1743 1280 A 56 LEU HD1% A 84 PHE HE% 1.0 1.8 5.0 1744 1281 A 56 LEU HD1% A 84 PHE HZ 1.0 1.8 5.0 1745 1282 A 56 LEU HD1% A 86 ALA HB% 1.0 1.8 5.0 1746 1283 A 56 LEU HD2% A 60 LEU HD1% 1.0 1.8 5.0 1747 1284 A 56 LEU HD2% A 60 LEU HD2% 1.0 1.8 6.0 1748 1285 A 56 LEU HD2% A 84 PHE HD% 1.0 1.8 6.0 1749 1286 A 56 LEU HD2% A 84 PHE HE% 1.0 1.8 5.0 1750 1287 A 56 LEU HD2% A 84 PHE HZ 1.0 1.8 5.0 1751 1288 A 56 LEU HD2% A 86 ALA HB% 1.0 1.8 5.0 1752 1289 A 60 LEU HD1% A 56 LEU HG 1.0 1.8 5.0 1753 1290 A 60 LEU HG A 56 LEU HG 1.0 1.8 5.0 1754 1291 A 63 LEU HD2% A 59 LYS HE2 1.0 1.8 5.0 1755 1291 A 63 LEU HD2% A 59 LYS HE3 1.0 1.8 5.0 1756 1292 A 63 LEU HD1% A 59 LYS HGy 1.0 1.8 5.0 1757 1292 A 59 LYS HGx A 63 LEU HD1% 1.0 1.8 5.0 1758 1293 A 72 TYR HE% A 60 LEU HB2 1.0 1.8 5.0 1759 1293 A 60 LEU HB3 A 72 TYR HE% 1.0 1.8 5.0 1760 1294 A 88 ALA HB% A 60 LEU HB2 1.0 1.8 5.0 1761 1294 A 60 LEU HB3 A 88 ALA HB% 1.0 1.8 5.0 1762 1295 A 60 LEU HD1% A 72 TYR HD% 1.0 1.8 5.0 1763 1296 A 60 LEU HD1% A 72 TYR HE% 1.0 1.8 5.0 1764 1297 A 60 LEU HD1% A 74 ILE HD1% 1.0 1.8 5.0 1765 1298 A 60 LEU HD1% A 74 ILE HG1y 1.0 1.8 5.0 1766 1298 A 60 LEU HD1% A 74 ILE HG1x 1.0 1.8 5.0 1767 1299 A 88 ALA HB% A 60 LEU HD1% 1.0 1.8 5.0 1768 1300 A 60 LEU HD2% A 63 LEU HBy 1.0 1.8 5.0 1769 1300 A 63 LEU HBx A 60 LEU HD2% 1.0 1.8 5.0 1770 1301 A 60 LEU HD2% A 63 LEU HD1% 1.0 1.8 5.0 1771 1302 A 64 ALA HB% A 60 LEU HD2% 1.0 1.8 5.0 1772 1303 A 60 LEU HD2% A 72 TYR HD% 1.0 1.8 5.0 1773 1304 A 88 ALA HB% A 60 LEU HD2% 1.0 1.8 5.0 1774 1305 A 62 GLU HGx A 65 ASP HBy 1.0 1.8 5.0 1775 1305 A 62 GLU HGy A 65 ASP HBy 1.0 1.8 5.0 1776 1305 A 65 ASP HBx A 62 GLU HGy 1.0 1.8 5.0 1777 1305 A 65 ASP HBx A 62 GLU HGx 1.0 1.8 5.0 1778 1306 A 66 ALA HB% A 62 GLU HGy 1.0 1.8 5.0 1779 1306 A 66 ALA HB% A 62 GLU HGx 1.0 1.8 5.0 1780 1307 A 66 ALA HB% A 63 LEU HD2% 1.0 1.8 5.0 1781 1308 A 64 ALA HB% A 67 LYS HBy 1.0 1.8 5.0 1782 1308 A 64 ALA HB% A 67 LYS HBx 1.0 1.8 5.0 1783 1309 A 64 ALA HB% A 72 TYR HB2 1.0 1.8 5.0 1784 1309 A 64 ALA HB% A 72 TYR HB3 1.0 1.8 5.0 1785 1310 A 64 ALA HB% A 72 TYR HD% 1.0 1.8 5.0 1786 1311 A 64 ALA HB% A 72 TYR HE% 1.0 1.8 5.0 1787 1312 A 64 ALA HB% A 90 VAL HG1% 1.0 1.8 5.0 1788 1313 A 64 ALA HB% A 90 VAL HG2% 1.0 1.8 5.0 1789 1314 A 90 VAL HG1% A 67 LYS HBy 1.0 1.8 5.0 1790 1314 A 67 LYS HBx A 90 VAL HG1% 1.0 1.8 5.0 1791 1315 A 90 VAL HG2% A 67 LYS HBy 1.0 1.8 5.0 1792 1315 A 67 LYS HBx A 90 VAL HG2% 1.0 1.8 5.0 1793 1316 A 90 VAL HG1% A 67 LYS HBy 1.0 1.8 5.0 1794 1316 A 67 LYS HBx A 90 VAL HG1% 1.0 1.8 5.0 1795 1317 A 90 VAL HG1% A 67 LYS HD2 1.0 1.8 5.0 1796 1317 A 67 LYS HD3 A 90 VAL HG1% 1.0 1.8 5.0 1797 1318 A 90 VAL HG2% A 67 LYS HD2 1.0 1.8 5.0 1798 1318 A 67 LYS HD3 A 90 VAL HG2% 1.0 1.8 5.0 1799 1319 A 90 VAL HG2% A 67 LYS HE2 1.0 1.8 5.0 1800 1319 A 90 VAL HG2% A 67 LYS HE3 1.0 1.8 5.0 1801 1320 A 90 VAL HG2% A 67 LYS HGy 1.0 1.8 5.0 1802 1320 A 67 LYS HGx A 90 VAL HG2% 1.0 1.8 5.0 1803 1321 A 90 VAL HG1% A 67 LYS HGy 1.0 1.8 5.0 1804 1321 A 67 LYS HGx A 90 VAL HG1% 1.0 1.8 5.0 1805 1322 A 88 ALA HB% A 72 TYR HB2 1.0 1.8 5.0 1806 1322 A 72 TYR HB3 A 88 ALA HB% 1.0 1.8 5.0 1807 1323 A 90 VAL HG1% A 72 TYR HB2 1.0 1.8 5.0 1808 1323 A 72 TYR HB3 A 90 VAL HG1% 1.0 1.8 5.0 1809 1324 A 90 VAL HG2% A 72 TYR HB2 1.0 1.8 5.0 1810 1324 A 72 TYR HB3 A 90 VAL HG2% 1.0 1.8 5.0 1811 1325 A 72 TYR HD% A 74 ILE HG1y 1.0 1.8 5.0 1812 1325 A 72 TYR HD% A 74 ILE HG1x 1.0 1.8 5.0 1813 1326 A 74 ILE HD1% A 72 TYR HE% 1.0 1.8 5.0 1814 1327 A 72 TYR HE% A 74 ILE HG1y 1.0 1.8 5.0 1815 1327 A 74 ILE HG1x A 72 TYR HE% 1.0 1.8 5.0 1816 1328 A 88 ALA HB% A 72 TYR HE% 1.0 1.8 5.0 1817 1329 A 73 HIS HBy A 89 GLU HB2 1.0 1.8 5.0 1818 1329 A 73 HIS HBx A 89 GLU HB2 1.0 1.8 5.0 1819 1329 A 89 GLU HB3 A 73 HIS HBy 1.0 1.8 5.0 1820 1329 A 89 GLU HB3 A 73 HIS HBx 1.0 1.8 5.0 1821 1330 A 91 TYR HE% A 73 HIS HBy 1.0 1.8 5.0 1822 1330 A 73 HIS HBx A 91 TYR HE% 1.0 1.8 5.0 1823 1331 A 75 ILE HG2% A 73 HIS HE1 1.0 1.8 5.0 1824 1332 A 74 ILE HB A 88 ALA HB% 1.0 1.8 5.0 1825 1333 A 88 ALA HB% A 74 ILE HD1% 1.0 1.8 5.0 1826 1334 A 88 ALA HB% A 74 ILE HG1y 1.0 1.8 5.0 1827 1334 A 88 ALA HB% A 74 ILE HG1x 1.0 1.8 5.0 1828 1335 A 77 ALA HB% A 74 ILE HG2% 1.0 1.8 5.0 1829 1336 A 74 ILE HG2% A 84 PHE HZ 1.0 1.8 6.0 1830 1337 A 74 ILE HG2% A 86 ALA HB% 1.0 1.8 5.0 1831 1338 A 87 VAL HB A 75 ILE HD1% 1.0 1.8 5.0 1832 1339 A 75 ILE HD1% A 89 GLU HB2 1.0 1.8 5.0 1833 1339 A 89 GLU HB3 A 75 ILE HD1% 1.0 1.8 5.0 1834 1340 A 75 ILE HD1% A 89 GLU HGy 1.0 1.8 5.0 1835 1340 A 75 ILE HD1% A 89 GLU HGx 1.0 1.8 5.0 1836 1341 A 75 ILE HG1x A 89 GLU HGy 1.0 1.8 5.0 1837 1341 A 89 GLU HGx A 75 ILE HG1y 1.0 1.8 5.0 1838 1341 A 75 ILE HG1x A 89 GLU HGx 1.0 1.8 5.0 1839 1341 A 75 ILE HG1y A 89 GLU HGy 1.0 1.8 5.0 1840 1342 A 75 ILE HG1x A 89 GLU HGy 1.0 1.8 5.0 1841 1342 A 89 GLU HGx A 75 ILE HG1y 1.0 1.8 5.0 1842 1342 A 75 ILE HG1x A 89 GLU HGx 1.0 1.8 5.0 1843 1342 A 75 ILE HG1y A 89 GLU HGy 1.0 1.8 5.0 1844 1343 A 75 ILE HG2% A 89 GLU HB2 1.0 1.8 5.0 1845 1343 A 89 GLU HB3 A 75 ILE HG2% 1.0 1.8 5.0 1846 1344 A 75 ILE HG2% A 89 GLU HGy 1.0 1.8 5.0 1847 1344 A 75 ILE HG2% A 89 GLU HGx 1.0 1.8 5.0 1848 1345 A 76 ALA HB% A 78 ARG HD2 1.0 1.8 5.0 1849 1345 A 76 ALA HB% A 78 ARG HD3 1.0 1.8 5.0 1850 1346 A 76 ALA HB% A 87 VAL HB 1.0 1.8 5.0 1851 1347 A 76 ALA HB% A 87 VAL HG1% 1.0 1.8 5.0 1852 1348 A 76 ALA HB% A 87 VAL HG2% 1.0 1.8 5.0 1853 1349 A 77 ALA HB% A 84 PHE HE% 1.0 1.8 5.0 1854 1350 A 77 ALA HB% A 84 PHE HZ 1.0 1.8 5.0 1855 1351 A 77 ALA HB% A 86 ALA HB% 1.0 1.8 5.0 1856 1352 A 78 ARG HD3 A 85 GLU HBy 1.0 1.8 5.0 1857 1352 A 78 ARG HD2 A 85 GLU HBy 1.0 1.8 5.0 1858 1352 A 85 GLU HBx A 78 ARG HD2 1.0 1.8 5.0 1859 1352 A 85 GLU HBx A 78 ARG HD3 1.0 1.8 5.0 1860 1353 A 78 ARG HD3 A 85 GLU HG2 1.0 1.8 5.0 1861 1353 A 78 ARG HD2 A 85 GLU HG2 1.0 1.8 5.0 1862 1353 A 85 GLU HG3 A 78 ARG HD2 1.0 1.8 5.0 1863 1353 A 78 ARG HD3 A 85 GLU HG3 1.0 1.8 5.0 1864 1354 A 87 VAL HG2% A 78 ARG HD2 1.0 1.8 5.0 1865 1354 A 78 ARG HD3 A 87 VAL HG2% 1.0 1.8 5.0 1866 1355 A 78 ARG HGy A 85 GLU HBy 1.0 1.8 5.0 1867 1355 A 78 ARG HGx A 85 GLU HBy 1.0 1.8 5.0 1868 1355 A 85 GLU HBx A 78 ARG HGy 1.0 1.8 5.0 1869 1355 A 85 GLU HBx A 78 ARG HGx 1.0 1.8 5.0 1870 1356 A 78 ARG HGy A 85 GLU HG2 1.0 1.8 5.0 1871 1356 A 78 ARG HGx A 85 GLU HG2 1.0 1.8 5.0 1872 1356 A 85 GLU HG3 A 78 ARG HGy 1.0 1.8 5.0 1873 1356 A 78 ARG HGx A 85 GLU HG3 1.0 1.8 5.0 1874 1357 A 78 ARG HGx A 80 HIS HBy 1.0 1.8 6.0 1875 1357 A 78 ARG HGy A 80 HIS HBy 1.0 1.8 6.0 1876 1357 A 80 HIS HBx A 78 ARG HGy 1.0 1.8 6.0 1877 1357 A 78 ARG HGx A 80 HIS HBx 1.0 1.8 6.0 1878 1358 A 84 PHE HD% A 79 GLU HBy 1.0 1.8 5.0 1879 1358 A 79 GLU HBx A 84 PHE HD% 1.0 1.8 5.0 1880 1359 A 84 PHE HE% A 79 GLU HBy 1.0 1.8 5.0 1881 1359 A 79 GLU HBx A 84 PHE HE% 1.0 1.8 5.0 1882 1360 A 79 GLU HG2 A 84 PHE HBy 1.0 1.8 5.0 1883 1360 A 79 GLU HG3 A 84 PHE HBy 1.0 1.8 5.0 1884 1360 A 84 PHE HBx A 79 GLU HG2 1.0 1.8 5.0 1885 1360 A 79 GLU HG3 A 84 PHE HBx 1.0 1.8 5.0 1886 1361 A 84 PHE HD% A 79 GLU HG2 1.0 1.8 5.0 1887 1361 A 79 GLU HG3 A 84 PHE HD% 1.0 1.8 5.0 1888 1362 A 84 PHE HE% A 79 GLU HG2 1.0 1.8 5.0 1889 1362 A 79 GLU HG3 A 84 PHE HE% 1.0 1.8 5.0 1890 1363 A 80 HIS HBx A 85 GLU HG2 1.0 1.8 5.0 1891 1363 A 80 HIS HBy A 85 GLU HG2 1.0 1.8 5.0 1892 1363 A 85 GLU HG3 A 80 HIS HBy 1.0 1.8 5.0 1893 1363 A 85 GLU HG3 A 80 HIS HBx 1.0 1.8 5.0 1894 1364 A 83 ASN HB2 A 85 GLU HG2 1.0 1.8 5.0 1895 1364 A 83 ASN HB3 A 85 GLU HG2 1.0 1.8 5.0 1896 1364 A 85 GLU HG3 A 83 ASN HB2 1.0 1.8 5.0 1897 1364 A 83 ASN HB3 A 85 GLU HG3 1.0 1.8 5.0 1898 1365 A 84 PHE HD% A 86 ALA HB% 1.0 1.8 5.0 1899 1366 A 84 PHE HE% A 86 ALA HB% 1.0 1.8 5.0 1900 1367 A 86 ALA HB% A 84 PHE HZ 1.0 1.8 5.0 1901 1368 A 87 VAL HG2% A 85 GLU HBy 1.0 1.8 5.0 1902 1368 A 85 GLU HBx A 87 VAL HG2% 1.0 1.8 5.0 1903 1369 A 87 VAL HG2% A 85 GLU HG2 1.0 1.8 5.0 1904 1369 A 85 GLU HG3 A 87 VAL HG2% 1.0 1.8 5.0 1905 1370 A 91 TYR HE% A 89 GLU HB2 1.0 1.8 5.0 1906 1370 A 89 GLU HB3 A 91 TYR HE% 1.0 1.8 5.0 1907 1371 A 91 TYR HE% A 89 GLU HGy 1.0 1.8 5.0 1908 1371 A 89 GLU HGx A 91 TYR HE% 1.0 1.8 5.0 1909 1372 A 90 VAL HG1% A 92 ASN HD2y 1.0 1.8 5.0 1910 1372 A 90 VAL HG1% A 92 ASN HD2x 1.0 1.8 5.0 1911 1373 B 22 ALA HB1 B 64 ALA HB1 1.0 1.8 5.0 1912 1374 B 22 ALA HB1 B 72 TYR HD% 1.0 1.8 5.0 1913 1375 B 22 ALA HB1 B 72 TYR HE% 1.0 1.8 5.0 1914 1376 B 22 ALA HB1 B 72 TYR HBx 1.0 1.8 5.0 1915 1376 B 22 ALA HB1 B 72 TYR HBy 1.0 1.8 5.0 1916 1377 B 25 VAL HG11 B 71 TYR HBx 1.0 1.8 5.0 1917 1377 B 71 TYR HBy B 25 VAL HG11 1.0 1.8 5.0 1918 1378 B 72 TYR HE% B 24 GLN HBx 1.0 1.8 5.0 1919 1378 B 72 TYR HE% B 24 GLN HBy 1.0 1.8 5.0 1920 1379 B 74 ILE HD11 B 24 GLN HE2y 1.0 1.8 5.0 1921 1379 B 74 ILE HD11 B 24 GLN HE2x 1.0 1.8 5.0 1922 1380 B 25 VAL HG11 B 30 ILE HD11 1.0 1.8 5.0 1923 1381 B 25 VAL HG11 B 35 LEU HD11 1.0 1.8 5.0 1924 1382 B 25 VAL HG11 B 71 TYR HBx 1.0 1.8 5.0 1925 1382 B 71 TYR HBy B 25 VAL HG11 1.0 1.8 5.0 1926 1383 B 25 VAL HG21 B 35 LEU HD11 1.0 1.8 5.0 1927 1384 B 25 VAL HG21 B 71 TYR HBx 1.0 1.8 5.0 1928 1384 B 71 TYR HBy B 25 VAL HG21 1.0 1.8 5.0 1929 1385 B 33 PHE HD% B 29 GLU HBx 1.0 1.8 5.0 1930 1385 B 29 GLU HBy B 33 PHE HD% 1.0 1.8 5.0 1931 1386 B 33 PHE HD% B 29 GLU HBx 1.0 1.8 5.0 1932 1386 B 29 GLU HBy B 33 PHE HD% 1.0 1.8 5.0 1933 1387 B 29 GLU HBx B 35 LEU HD11 1.0 1.8 5.0 1934 1387 B 29 GLU HBy B 35 LEU HD11 1.0 1.8 5.0 1935 1388 B 33 PHE HD% B 29 GLU HGx 1.0 1.8 5.0 1936 1388 B 33 PHE HD% B 29 GLU HGy 1.0 1.8 5.0 1937 1389 B 33 PHE HE% B 29 GLU HGx 1.0 1.8 5.0 1938 1389 B 33 PHE HE% B 29 GLU HGy 1.0 1.8 5.0 1939 1390 B 33 PHE HE% B 29 GLU HGx 1.0 1.8 5.0 1940 1390 B 33 PHE HE% B 29 GLU HGy 1.0 1.8 5.0 1941 1391 B 30 ILE HD11 B 35 LEU HD11 1.0 1.8 6.0 1942 1392 B 30 ILE HD11 B 73 HIS HBx 1.0 1.8 5.0 1943 1392 B 30 ILE HD11 B 73 HIS HBy 1.0 1.8 5.0 1944 1393 B 30 ILE HD11 B 91 TYR HD% 1.0 1.8 5.0 1945 1394 B 30 ILE HD11 B 91 TYR HE% 1.0 1.8 5.0 1946 1395 B 30 ILE HG1x B 35 LEU HD11 1.0 1.8 5.0 1947 1395 B 30 ILE HG1y B 35 LEU HD11 1.0 1.8 5.0 1948 1396 B 30 ILE HG21 B 35 LEU HBx 1.0 1.8 5.0 1949 1396 B 35 LEU HBy B 30 ILE HG21 1.0 1.8 5.0 1950 1397 B 30 ILE HG21 B 35 LEU HD11 1.0 1.8 5.0 1951 1398 B 30 ILE HG21 B 35 LEU HG 1.0 1.8 5.0 1952 1399 B 30 ILE HG21 B 91 TYR HD% 1.0 1.8 5.0 1953 1400 B 30 ILE HG21 B 91 TYR HE% 1.0 1.8 5.0 1954 1401 B 31 SER HBy B 34 LYS HDx 1.0 1.8 5.0 1955 1401 B 31 SER HBx B 34 LYS HDx 1.0 1.8 5.0 1956 1401 B 34 LYS HDy B 31 SER HBx 1.0 1.8 5.0 1957 1401 B 31 SER HBy B 34 LYS HDy 1.0 1.8 5.0 1958 1402 B 35 LEU HG B 33 PHE HBx 1.0 1.8 5.0 1959 1402 B 33 PHE HBy B 35 LEU HG 1.0 1.8 5.0 1960 1403 B 35 LEU HD21 B 33 PHE HBx 1.0 1.8 5.0 1961 1403 B 33 PHE HBy B 35 LEU HD21 1.0 1.8 5.0 1962 1404 B 35 LEU HG B 33 PHE HBx 1.0 1.8 5.0 1963 1404 B 33 PHE HBy B 35 LEU HG 1.0 1.8 5.0 1964 1405 B 33 PHE HD% B 35 LEU HD21 1.0 1.8 5.0 1965 1406 B 35 LEU HG B 33 PHE HD% 1.0 1.8 5.0 1966 1407 B 91 TYR HD% B 35 LEU HBx 1.0 1.8 5.0 1967 1407 B 35 LEU HBy B 91 TYR HD% 1.0 1.8 5.0 1968 1408 B 91 TYR HE% B 35 LEU HBx 1.0 1.8 5.0 1969 1408 B 35 LEU HBy B 91 TYR HE% 1.0 1.8 5.0 1970 1409 B 71 TYR HBy B 35 LEU HD11 1.0 1.8 5.0 1971 1409 B 35 LEU HD11 B 71 TYR HBx 1.0 1.8 5.0 1972 1410 B 91 TYR HBy B 35 LEU HD11 1.0 1.8 5.0 1973 1410 B 35 LEU HD11 B 91 TYR HBx 1.0 1.8 5.0 1974 1411 B 91 TYR HD% B 35 LEU HD11 1.0 1.8 5.0 1975 1412 B 91 TYR HE% B 35 LEU HD11 1.0 1.8 5.0 1976 1413 B 91 TYR HD% B 35 LEU HD21 1.0 1.8 5.0 1977 1414 B 35 LEU HG B 91 TYR HBx 1.0 1.8 5.0 1978 1414 B 91 TYR HBy B 35 LEU HG 1.0 1.8 5.0 1979 1415 B 36 VAL HB B 92 ASN HBx 1.0 1.8 5.0 1980 1415 B 36 VAL HB B 92 ASN HBy 1.0 1.8 5.0 1981 1416 B 36 VAL HG11 B 91 TYR HD% 1.0 1.8 5.0 1982 1417 B 36 VAL HG11 B 92 ASN HBx 1.0 1.8 5.0 1983 1417 B 92 ASN HBy B 36 VAL HG11 1.0 1.8 5.0 1984 1418 B 94 ALA HB1 B 36 VAL HG11 1.0 1.8 5.0 1985 1419 B 36 VAL HG21 B 91 TYR HD% 1.0 1.8 6.0 1986 1420 B 36 VAL HG21 B 92 ASN HBx 1.0 1.8 5.0 1987 1420 B 92 ASN HBy B 36 VAL HG21 1.0 1.8 5.0 1988 1421 B 94 ALA HB1 B 36 VAL HG21 1.0 1.8 5.0 1989 1422 B 91 TYR HE% B 37 LYS HBy 1.0 1.8 5.0 1990 1422 B 37 LYS HBx B 91 TYR HE% 1.0 1.8 5.0 1991 1423 B 91 TYR HE% B 37 LYS HBy 1.0 1.8 5.0 1992 1423 B 37 LYS HBx B 91 TYR HE% 1.0 1.8 5.0 1993 1424 B 37 LYS HDx B 89 GLU HGx 1.0 1.8 6.0 1994 1424 B 89 GLU HGy B 37 LYS HDx 1.0 1.8 6.0 1995 1424 B 89 GLU HGy B 37 LYS HDy 1.0 1.8 6.0 1996 1424 B 37 LYS HDy B 89 GLU HGx 1.0 1.8 6.0 1997 1425 B 91 TYR HD% B 37 LYS HDx 1.0 1.8 5.0 1998 1425 B 91 TYR HD% B 37 LYS HDy 1.0 1.8 5.0 1999 1426 B 91 TYR HE% B 37 LYS HDx 1.0 1.8 5.0 2000 1426 B 37 LYS HDy B 91 TYR HE% 1.0 1.8 5.0 2001 1427 B 37 LYS HEx B 89 GLU HBx 1.0 1.8 5.0 2002 1427 B 37 LYS HEy B 89 GLU HBx 1.0 1.8 5.0 2003 1427 B 89 GLU HBy B 37 LYS HEx 1.0 1.8 5.0 2004 1427 B 89 GLU HBy B 37 LYS HEy 1.0 1.8 5.0 2005 1428 B 37 LYS HEx B 89 GLU HGx 1.0 1.8 5.0 2006 1428 B 37 LYS HEy B 89 GLU HGx 1.0 1.8 5.0 2007 1428 B 89 GLU HGy B 37 LYS HEx 1.0 1.8 5.0 2008 1428 B 89 GLU HGy B 37 LYS HEy 1.0 1.8 5.0 2009 1429 B 91 TYR HE% B 37 LYS HEx 1.0 1.8 6.0 2010 1429 B 37 LYS HEy B 91 TYR HE% 1.0 1.8 6.0 2011 1430 B 38 VAL HB B 90 VAL HB 1.0 1.8 5.0 2012 1431 B 38 VAL HB B 90 VAL HG11 1.0 1.8 5.0 2013 1432 B 90 VAL HB B 38 VAL HG11 1.0 1.8 5.0 2014 1433 B 38 VAL HG11 B 92 ASN HBx 1.0 1.8 5.0 2015 1433 B 92 ASN HBy B 38 VAL HG11 1.0 1.8 5.0 2016 1434 B 38 VAL HG11 B 92 ASN HD2x 1.0 1.8 5.0 2017 1434 B 38 VAL HG11 B 92 ASN HD2y 1.0 1.8 5.0 2018 1435 B 90 VAL HB B 38 VAL HG21 1.0 1.8 5.0 2019 1436 B 38 VAL HG21 B 90 VAL HG11 1.0 1.8 5.0 2020 1437 B 38 VAL HG21 B 92 ASN HBx 1.0 1.8 5.0 2021 1437 B 92 ASN HBy B 38 VAL HG21 1.0 1.8 5.0 2022 1438 B 38 VAL HG21 B 92 ASN HD2x 1.0 1.8 5.0 2023 1438 B 38 VAL HG21 B 92 ASN HD2y 1.0 1.8 5.0 2024 1439 B 40 THR HB B 87 VAL HG11 1.0 1.8 6.0 2025 1440 B 40 THR HG21 B 42 ASN HD2x 1.0 1.8 6.0 2026 1440 B 40 THR HG21 B 42 ASN HD2y 1.0 1.8 6.0 2027 1441 B 87 VAL HB B 40 THR HG21 1.0 1.8 5.0 2028 1442 B 40 THR HG21 B 87 VAL HG11 1.0 1.8 5.0 2029 1443 B 40 THR HG21 B 89 GLU HGx 1.0 1.8 5.0 2030 1443 B 40 THR HG21 B 89 GLU HGy 1.0 1.8 5.0 2031 1444 B 41 ILE HB B 63 LEU HBx 1.0 1.8 5.0 2032 1444 B 41 ILE HB B 63 LEU HBy 1.0 1.8 5.0 2033 1445 B 41 ILE HB B 63 LEU HD11 1.0 1.8 5.0 2034 1446 B 41 ILE HB B 90 VAL HG21 1.0 1.8 5.0 2035 1447 B 41 ILE HD11 B 60 LEU HBx 1.0 1.8 5.0 2036 1447 B 60 LEU HBy B 41 ILE HD11 1.0 1.8 5.0 2037 1448 B 60 LEU HD21 B 41 ILE HD11 1.0 1.8 5.0 2038 1449 B 41 ILE HD11 B 63 LEU HBx 1.0 1.8 5.0 2039 1449 B 63 LEU HBy B 41 ILE HD11 1.0 1.8 5.0 2040 1450 B 63 LEU HD11 B 41 ILE HD11 1.0 1.8 5.0 2041 1451 B 63 LEU HG B 41 ILE HD11 1.0 1.8 5.0 2042 1452 B 64 ALA HB1 B 41 ILE HD11 1.0 1.8 5.0 2043 1453 B 41 ILE HD11 B 72 TYR HBx 1.0 1.8 5.0 2044 1453 B 72 TYR HBy B 41 ILE HD11 1.0 1.8 5.0 2045 1454 B 72 TYR HD% B 41 ILE HD11 1.0 1.8 5.0 2046 1455 B 90 VAL HG11 B 41 ILE HD11 1.0 1.8 5.0 2047 1456 B 90 VAL HG21 B 41 ILE HD11 1.0 1.8 5.0 2048 1457 B 60 LEU HD21 B 41 ILE HG1x 1.0 1.8 5.0 2049 1457 B 60 LEU HD21 B 41 ILE HG1y 1.0 1.8 5.0 2050 1458 B 90 VAL HG21 B 41 ILE HG1x 1.0 1.8 5.0 2051 1458 B 90 VAL HG21 B 41 ILE HG1y 1.0 1.8 5.0 2052 1459 B 41 ILE HG21 B 63 LEU HBx 1.0 1.8 5.0 2053 1459 B 63 LEU HBy B 41 ILE HG21 1.0 1.8 5.0 2054 1460 B 64 ALA HB1 B 41 ILE HG21 1.0 1.8 5.0 2055 1461 B 41 ILE HG21 B 67 LYS HBx 1.0 1.8 5.0 2056 1461 B 67 LYS HBy B 41 ILE HG21 1.0 1.8 5.0 2057 1462 B 41 ILE HG21 B 67 LYS HDx 1.0 1.8 5.0 2058 1462 B 41 ILE HG21 B 67 LYS HDy 1.0 1.8 5.0 2059 1463 B 41 ILE HG21 B 67 LYS HEx 1.0 1.8 5.0 2060 1463 B 41 ILE HG21 B 67 LYS HEy 1.0 1.8 5.0 2061 1464 B 41 ILE HG21 B 67 LYS HGx 1.0 1.8 5.0 2062 1464 B 41 ILE HG21 B 67 LYS HGy 1.0 1.8 5.0 2063 1465 B 90 VAL HB B 41 ILE HG21 1.0 1.8 5.0 2064 1466 B 87 VAL HG11 B 42 ASN HBx 1.0 1.8 5.0 2065 1466 B 42 ASN HBy B 87 VAL HG11 1.0 1.8 5.0 2066 1467 B 87 VAL HG21 B 42 ASN HBx 1.0 1.8 5.0 2067 1467 B 42 ASN HBy B 87 VAL HG21 1.0 1.8 5.0 2068 1468 B 87 VAL HG11 B 42 ASN HD2x 1.0 1.8 6.0 2069 1468 B 87 VAL HG11 B 42 ASN HD2y 1.0 1.8 6.0 2070 1469 B 87 VAL HG21 B 42 ASN HD2x 1.0 1.8 5.0 2071 1469 B 87 VAL HG21 B 42 ASN HD2y 1.0 1.8 5.0 2072 1470 B 60 LEU HD21 B 43 VAL HB 1.0 1.8 5.0 2073 1471 B 43 VAL HB B 86 ALA HB1 1.0 1.8 5.0 2074 1472 B 43 VAL HG11 B 45 GLN HBx 1.0 1.8 5.0 2075 1472 B 45 GLN HBy B 43 VAL HG11 1.0 1.8 5.0 2076 1473 B 43 VAL HG11 B 45 GLN HE2y 1.0 1.8 5.0 2077 1473 B 43 VAL HG11 B 45 GLN HE2x 1.0 1.8 5.0 2078 1474 B 43 VAL HG11 B 45 GLN HGx 1.0 1.8 5.0 2079 1474 B 43 VAL HG11 B 45 GLN HGy 1.0 1.8 5.0 2080 1475 B 43 VAL HG11 B 50 ILE HD11 1.0 1.8 5.0 2081 1476 B 43 VAL HG11 B 59 LYS HBx 1.0 1.8 5.0 2082 1476 B 59 LYS HBy B 43 VAL HG11 1.0 1.8 5.0 2083 1477 B 43 VAL HG11 B 59 LYS HEx 1.0 1.8 5.0 2084 1477 B 43 VAL HG11 B 59 LYS HEy 1.0 1.8 5.0 2085 1478 B 43 VAL HG11 B 59 LYS HGx 1.0 1.8 5.0 2086 1478 B 43 VAL HG11 B 59 LYS HGy 1.0 1.8 5.0 2087 1479 B 43 VAL HG11 B 84 PHE HD% 1.0 1.8 5.0 2088 1480 B 43 VAL HG11 B 84 PHE HE% 1.0 1.8 5.0 2089 1481 B 43 VAL HG21 B 45 GLN HE2y 1.0 1.8 5.0 2090 1481 B 43 VAL HG21 B 45 GLN HE2x 1.0 1.8 5.0 2091 1482 B 43 VAL HG21 B 45 GLN HGx 1.0 1.8 5.0 2092 1482 B 43 VAL HG21 B 45 GLN HGy 1.0 1.8 5.0 2093 1483 B 43 VAL HG21 B 59 LYS HBx 1.0 1.8 5.0 2094 1483 B 59 LYS HBy B 43 VAL HG21 1.0 1.8 5.0 2095 1484 B 43 VAL HG21 B 59 LYS HEx 1.0 1.8 5.0 2096 1484 B 43 VAL HG21 B 59 LYS HEy 1.0 1.8 5.0 2097 1485 B 43 VAL HG21 B 59 LYS HGx 1.0 1.8 5.0 2098 1485 B 43 VAL HG21 B 59 LYS HGy 1.0 1.8 5.0 2099 1486 B 43 VAL HG21 B 60 LEU HBx 1.0 1.8 5.0 2100 1486 B 60 LEU HBy B 43 VAL HG21 1.0 1.8 5.0 2101 1487 B 43 VAL HG21 B 60 LEU HD21 1.0 1.8 5.0 2102 1488 B 43 VAL HG21 B 60 LEU HG 1.0 1.8 5.0 2103 1489 B 43 VAL HG21 B 86 ALA HB1 1.0 1.8 5.0 2104 1490 B 44 SER HBx B 85 GLU HBx 1.0 1.8 5.0 2105 1490 B 44 SER HBy B 85 GLU HBx 1.0 1.8 5.0 2106 1490 B 85 GLU HBy B 44 SER HBx 1.0 1.8 5.0 2107 1490 B 44 SER HBy B 85 GLU HBy 1.0 1.8 5.0 2108 1491 B 44 SER HBx B 85 GLU HGx 1.0 1.8 5.0 2109 1491 B 44 SER HBy B 85 GLU HGx 1.0 1.8 5.0 2110 1491 B 85 GLU HGy B 44 SER HBx 1.0 1.8 5.0 2111 1491 B 44 SER HBy B 85 GLU HGy 1.0 1.8 5.0 2112 1492 B 50 ILE HD11 B 45 GLN HBx 1.0 1.8 5.0 2113 1492 B 45 GLN HBy B 50 ILE HD11 1.0 1.8 5.0 2114 1493 B 45 GLN HBx B 50 ILE HG1x 1.0 1.8 5.0 2115 1493 B 45 GLN HBy B 50 ILE HG1x 1.0 1.8 5.0 2116 1493 B 50 ILE HG1y B 45 GLN HBx 1.0 1.8 5.0 2117 1493 B 45 GLN HBy B 50 ILE HG1y 1.0 1.8 5.0 2118 1494 B 45 GLN HBx B 84 PHE HBx 1.0 1.8 5.0 2119 1494 B 45 GLN HBy B 84 PHE HBx 1.0 1.8 5.0 2120 1494 B 84 PHE HBy B 45 GLN HBx 1.0 1.8 5.0 2121 1494 B 45 GLN HBy B 84 PHE HBy 1.0 1.8 5.0 2122 1495 B 84 PHE HD% B 45 GLN HBx 1.0 1.8 5.0 2123 1495 B 45 GLN HBy B 84 PHE HD% 1.0 1.8 5.0 2124 1496 B 45 GLN HE2x B 49 GLN HBx 1.0 1.8 5.0 2125 1496 B 45 GLN HE2y B 49 GLN HBx 1.0 1.8 5.0 2126 1496 B 49 GLN HBy B 45 GLN HE2y 1.0 1.8 5.0 2127 1496 B 49 GLN HBy B 45 GLN HE2x 1.0 1.8 5.0 2128 1497 B 50 ILE HD11 B 45 GLN HE2y 1.0 1.8 5.0 2129 1497 B 50 ILE HD11 B 45 GLN HE2x 1.0 1.8 5.0 2130 1498 B 45 GLN HGx B 49 GLN HBx 1.0 1.8 5.0 2131 1498 B 45 GLN HGy B 49 GLN HBx 1.0 1.8 5.0 2132 1498 B 49 GLN HBy B 45 GLN HGx 1.0 1.8 5.0 2133 1498 B 49 GLN HBy B 45 GLN HGy 1.0 1.8 5.0 2134 1499 B 45 GLN HGx B 49 GLN HE2y 1.0 1.8 5.0 2135 1499 B 45 GLN HGy B 49 GLN HE2y 1.0 1.8 5.0 2136 1499 B 49 GLN HE2x B 45 GLN HGx 1.0 1.8 5.0 2137 1499 B 45 GLN HGy B 49 GLN HE2x 1.0 1.8 5.0 2138 1500 B 50 ILE HD11 B 45 GLN HGx 1.0 1.8 5.0 2139 1500 B 45 GLN HGy B 50 ILE HD11 1.0 1.8 5.0 2140 1501 B 45 GLN HGy B 50 ILE HG1x 1.0 1.8 5.0 2141 1501 B 45 GLN HGx B 50 ILE HG1x 1.0 1.8 5.0 2142 1501 B 50 ILE HG1y B 45 GLN HGx 1.0 1.8 5.0 2143 1501 B 45 GLN HGy B 50 ILE HG1y 1.0 1.8 5.0 2144 1502 B 45 GLN HGy B 59 LYS HDx 1.0 1.8 5.0 2145 1502 B 45 GLN HGx B 59 LYS HDx 1.0 1.8 5.0 2146 1502 B 59 LYS HDy B 45 GLN HGx 1.0 1.8 5.0 2147 1502 B 45 GLN HGy B 59 LYS HDy 1.0 1.8 5.0 2148 1503 B 45 GLN HGy B 59 LYS HGx 1.0 1.8 5.0 2149 1503 B 59 LYS HGy B 45 GLN HGx 1.0 1.8 5.0 2150 1503 B 45 GLN HGy B 59 LYS HGy 1.0 1.8 5.0 2151 1503 B 45 GLN HGx B 59 LYS HGx 1.0 1.8 5.0 2152 1504 B 46 SER HBy B 49 GLN HGx 1.0 1.8 5.0 2153 1504 B 46 SER HBx B 49 GLN HGx 1.0 1.8 5.0 2154 1504 B 49 GLN HGy B 46 SER HBx 1.0 1.8 5.0 2155 1504 B 49 GLN HGy B 46 SER HBy 1.0 1.8 5.0 2156 1505 B 50 ILE HB B 55 ASP HBx 1.0 1.8 5.0 2157 1505 B 50 ILE HB B 55 ASP HBy 1.0 1.8 5.0 2158 1506 B 50 ILE HB B 84 PHE HD% 1.0 1.8 5.0 2159 1507 B 50 ILE HB B 84 PHE HE% 1.0 1.8 5.0 2160 1508 B 50 ILE HD11 B 55 ASP HBx 1.0 1.8 5.0 2161 1508 B 55 ASP HBy B 50 ILE HD11 1.0 1.8 5.0 2162 1509 B 50 ILE HD11 B 56 LEU HD11 1.0 1.8 5.0 2163 1510 B 50 ILE HD11 B 56 LEU HD21 1.0 1.8 6.0 2164 1511 B 50 ILE HD11 B 59 LYS HBx 1.0 1.8 5.0 2165 1511 B 59 LYS HBy B 50 ILE HD11 1.0 1.8 5.0 2166 1512 B 50 ILE HD11 B 59 LYS HDx 1.0 1.8 5.0 2167 1512 B 50 ILE HD11 B 59 LYS HDy 1.0 1.8 5.0 2168 1513 B 50 ILE HD11 B 59 LYS HGx 1.0 1.8 5.0 2169 1513 B 50 ILE HD11 B 59 LYS HGy 1.0 1.8 5.0 2170 1514 B 50 ILE HD11 B 84 PHE HBx 1.0 1.8 6.0 2171 1514 B 50 ILE HD11 B 84 PHE HBy 1.0 1.8 6.0 2172 1515 B 50 ILE HD11 B 84 PHE HD% 1.0 1.8 5.0 2173 1516 B 50 ILE HD11 B 84 PHE HE% 1.0 1.8 5.0 2174 1517 B 50 ILE HG1x B 59 LYS HEx 1.0 1.8 5.0 2175 1517 B 50 ILE HG1y B 59 LYS HEx 1.0 1.8 5.0 2176 1517 B 59 LYS HEy B 50 ILE HG1x 1.0 1.8 5.0 2177 1517 B 50 ILE HG1y B 59 LYS HEy 1.0 1.8 5.0 2178 1518 B 84 PHE HD% B 50 ILE HG1x 1.0 1.8 5.0 2179 1518 B 50 ILE HG1y B 84 PHE HD% 1.0 1.8 5.0 2180 1519 B 50 ILE HG21 B 55 ASP HBx 1.0 1.8 5.0 2181 1519 B 55 ASP HBy B 50 ILE HG21 1.0 1.8 5.0 2182 1520 B 50 ILE HG21 B 56 LEU HBx 1.0 1.8 5.0 2183 1520 B 56 LEU HBy B 50 ILE HG21 1.0 1.8 5.0 2184 1521 B 50 ILE HG21 B 56 LEU HD11 1.0 1.8 5.0 2185 1522 B 50 ILE HG21 B 56 LEU HD21 1.0 1.8 5.0 2186 1523 B 50 ILE HG21 B 84 PHE HD% 1.0 1.8 5.0 2187 1524 B 50 ILE HG21 B 84 PHE HE% 1.0 1.8 5.0 2188 1525 B 51 SER HBy B 55 ASP HBx 1.0 1.8 5.0 2189 1525 B 51 SER HBx B 55 ASP HBx 1.0 1.8 5.0 2190 1525 B 55 ASP HBy B 51 SER HBx 1.0 1.8 5.0 2191 1525 B 51 SER HBy B 55 ASP HBy 1.0 1.8 5.0 2192 1526 B 60 LEU HD11 B 56 LEU HBx 1.0 1.8 5.0 2193 1526 B 56 LEU HBy B 60 LEU HD11 1.0 1.8 5.0 2194 1527 B 56 LEU HD11 B 60 LEU HBx 1.0 1.8 5.0 2195 1527 B 60 LEU HBy B 56 LEU HD11 1.0 1.8 5.0 2196 1528 B 56 LEU HD11 B 60 LEU HD11 1.0 1.8 5.0 2197 1529 B 56 LEU HD11 B 60 LEU HD21 1.0 1.8 5.0 2198 1530 B 56 LEU HD11 B 60 LEU HG 1.0 1.8 5.0 2199 1531 B 56 LEU HD11 B 84 PHE HD% 1.0 1.8 5.0 2200 1532 B 56 LEU HD11 B 84 PHE HE% 1.0 1.8 5.0 2201 1533 B 56 LEU HD11 B 84 PHE HZ 1.0 1.8 5.0 2202 1534 B 56 LEU HD11 B 86 ALA HB1 1.0 1.8 5.0 2203 1535 B 56 LEU HD21 B 60 LEU HD11 1.0 1.8 5.0 2204 1536 B 56 LEU HD21 B 60 LEU HD21 1.0 1.8 6.0 2205 1537 B 56 LEU HD21 B 84 PHE HD% 1.0 1.8 6.0 2206 1538 B 56 LEU HD21 B 84 PHE HE% 1.0 1.8 5.0 2207 1539 B 56 LEU HD21 B 84 PHE HZ 1.0 1.8 5.0 2208 1540 B 56 LEU HD21 B 86 ALA HB1 1.0 1.8 5.0 2209 1541 B 60 LEU HD11 B 56 LEU HG 1.0 1.8 5.0 2210 1542 B 60 LEU HG B 56 LEU HG 1.0 1.8 5.0 2211 1543 B 63 LEU HD21 B 59 LYS HEx 1.0 1.8 5.0 2212 1543 B 63 LEU HD21 B 59 LYS HEy 1.0 1.8 5.0 2213 1544 B 63 LEU HD11 B 59 LYS HGx 1.0 1.8 5.0 2214 1544 B 59 LYS HGy B 63 LEU HD11 1.0 1.8 5.0 2215 1545 B 72 TYR HE% B 60 LEU HBx 1.0 1.8 5.0 2216 1545 B 60 LEU HBy B 72 TYR HE% 1.0 1.8 5.0 2217 1546 B 88 ALA HB1 B 60 LEU HBx 1.0 1.8 5.0 2218 1546 B 60 LEU HBy B 88 ALA HB1 1.0 1.8 5.0 2219 1547 B 60 LEU HD11 B 72 TYR HD% 1.0 1.8 5.0 2220 1548 B 60 LEU HD11 B 72 TYR HE% 1.0 1.8 5.0 2221 1549 B 60 LEU HD11 B 74 ILE HD11 1.0 1.8 5.0 2222 1550 B 60 LEU HD11 B 74 ILE HG1x 1.0 1.8 5.0 2223 1550 B 60 LEU HD11 B 74 ILE HG1y 1.0 1.8 5.0 2224 1551 B 88 ALA HB1 B 60 LEU HD11 1.0 1.8 5.0 2225 1552 B 60 LEU HD21 B 63 LEU HBx 1.0 1.8 5.0 2226 1552 B 63 LEU HBy B 60 LEU HD21 1.0 1.8 5.0 2227 1553 B 60 LEU HD21 B 63 LEU HD11 1.0 1.8 5.0 2228 1554 B 64 ALA HB1 B 60 LEU HD21 1.0 1.8 5.0 2229 1555 B 60 LEU HD21 B 72 TYR HD% 1.0 1.8 5.0 2230 1556 B 88 ALA HB1 B 60 LEU HD21 1.0 1.8 5.0 2231 1557 B 62 GLU HGx B 65 ASP HBx 1.0 1.8 5.0 2232 1557 B 62 GLU HGy B 65 ASP HBx 1.0 1.8 5.0 2233 1557 B 65 ASP HBy B 62 GLU HGx 1.0 1.8 5.0 2234 1557 B 65 ASP HBy B 62 GLU HGy 1.0 1.8 5.0 2235 1558 B 66 ALA HB1 B 62 GLU HGx 1.0 1.8 5.0 2236 1558 B 66 ALA HB1 B 62 GLU HGy 1.0 1.8 5.0 2237 1559 B 66 ALA HB1 B 63 LEU HD21 1.0 1.8 5.0 2238 1560 B 64 ALA HB1 B 67 LYS HBx 1.0 1.8 5.0 2239 1560 B 64 ALA HB1 B 67 LYS HBy 1.0 1.8 5.0 2240 1561 B 64 ALA HB1 B 72 TYR HBx 1.0 1.8 5.0 2241 1561 B 64 ALA HB1 B 72 TYR HBy 1.0 1.8 5.0 2242 1562 B 64 ALA HB1 B 72 TYR HD% 1.0 1.8 5.0 2243 1563 B 64 ALA HB1 B 72 TYR HE% 1.0 1.8 5.0 2244 1564 B 64 ALA HB1 B 90 VAL HG11 1.0 1.8 5.0 2245 1565 B 64 ALA HB1 B 90 VAL HG21 1.0 1.8 5.0 2246 1566 B 90 VAL HG11 B 67 LYS HBx 1.0 1.8 5.0 2247 1566 B 67 LYS HBy B 90 VAL HG11 1.0 1.8 5.0 2248 1567 B 90 VAL HG21 B 67 LYS HBx 1.0 1.8 5.0 2249 1567 B 67 LYS HBy B 90 VAL HG21 1.0 1.8 5.0 2250 1568 B 90 VAL HG11 B 67 LYS HBx 1.0 1.8 5.0 2251 1568 B 67 LYS HBy B 90 VAL HG11 1.0 1.8 5.0 2252 1569 B 90 VAL HG11 B 67 LYS HDx 1.0 1.8 5.0 2253 1569 B 67 LYS HDy B 90 VAL HG11 1.0 1.8 5.0 2254 1570 B 90 VAL HG21 B 67 LYS HDx 1.0 1.8 5.0 2255 1570 B 67 LYS HDy B 90 VAL HG21 1.0 1.8 5.0 2256 1571 B 90 VAL HG21 B 67 LYS HEx 1.0 1.8 5.0 2257 1571 B 90 VAL HG21 B 67 LYS HEy 1.0 1.8 5.0 2258 1572 B 90 VAL HG21 B 67 LYS HGx 1.0 1.8 5.0 2259 1572 B 67 LYS HGy B 90 VAL HG21 1.0 1.8 5.0 2260 1573 B 90 VAL HG11 B 67 LYS HGx 1.0 1.8 5.0 2261 1573 B 67 LYS HGy B 90 VAL HG11 1.0 1.8 5.0 2262 1574 B 88 ALA HB1 B 72 TYR HBx 1.0 1.8 5.0 2263 1574 B 72 TYR HBy B 88 ALA HB1 1.0 1.8 5.0 2264 1575 B 90 VAL HG11 B 72 TYR HBx 1.0 1.8 5.0 2265 1575 B 72 TYR HBy B 90 VAL HG11 1.0 1.8 5.0 2266 1576 B 90 VAL HG21 B 72 TYR HBx 1.0 1.8 5.0 2267 1576 B 72 TYR HBy B 90 VAL HG21 1.0 1.8 5.0 2268 1577 B 72 TYR HD% B 74 ILE HG1x 1.0 1.8 5.0 2269 1577 B 72 TYR HD% B 74 ILE HG1y 1.0 1.8 5.0 2270 1578 B 74 ILE HD11 B 72 TYR HE% 1.0 1.8 5.0 2271 1579 B 72 TYR HE% B 74 ILE HG1x 1.0 1.8 5.0 2272 1579 B 74 ILE HG1y B 72 TYR HE% 1.0 1.8 5.0 2273 1580 B 88 ALA HB1 B 72 TYR HE% 1.0 1.8 5.0 2274 1581 B 73 HIS HBx B 89 GLU HBx 1.0 1.8 5.0 2275 1581 B 73 HIS HBy B 89 GLU HBx 1.0 1.8 5.0 2276 1581 B 89 GLU HBy B 73 HIS HBx 1.0 1.8 5.0 2277 1581 B 89 GLU HBy B 73 HIS HBy 1.0 1.8 5.0 2278 1582 B 91 TYR HE% B 73 HIS HBx 1.0 1.8 5.0 2279 1582 B 73 HIS HBy B 91 TYR HE% 1.0 1.8 5.0 2280 1583 B 75 ILE HG21 B 73 HIS HE1 1.0 1.8 5.0 2281 1584 B 74 ILE HB B 88 ALA HB1 1.0 1.8 5.0 2282 1585 B 88 ALA HB1 B 74 ILE HD11 1.0 1.8 5.0 2283 1586 B 88 ALA HB1 B 74 ILE HG1x 1.0 1.8 5.0 2284 1586 B 88 ALA HB1 B 74 ILE HG1y 1.0 1.8 5.0 2285 1587 B 77 ALA HB1 B 74 ILE HG21 1.0 1.8 5.0 2286 1588 B 74 ILE HG21 B 84 PHE HZ 1.0 1.8 6.0 2287 1589 B 74 ILE HG21 B 86 ALA HB1 1.0 1.8 5.0 2288 1590 B 87 VAL HB B 75 ILE HD11 1.0 1.8 5.0 2289 1591 B 75 ILE HD11 B 89 GLU HBx 1.0 1.8 5.0 2290 1591 B 89 GLU HBy B 75 ILE HD11 1.0 1.8 5.0 2291 1592 B 75 ILE HD11 B 89 GLU HGx 1.0 1.8 5.0 2292 1592 B 75 ILE HD11 B 89 GLU HGy 1.0 1.8 5.0 2293 1593 B 75 ILE HG1x B 89 GLU HGx 1.0 1.8 5.0 2294 1593 B 75 ILE HG1y B 89 GLU HGx 1.0 1.8 5.0 2295 1593 B 89 GLU HGy B 75 ILE HG1x 1.0 1.8 5.0 2296 1593 B 75 ILE HG1y B 89 GLU HGy 1.0 1.8 5.0 2297 1594 B 75 ILE HG1x B 89 GLU HGx 1.0 1.8 5.0 2298 1594 B 75 ILE HG1y B 89 GLU HGx 1.0 1.8 5.0 2299 1594 B 89 GLU HGy B 75 ILE HG1x 1.0 1.8 5.0 2300 1594 B 75 ILE HG1y B 89 GLU HGy 1.0 1.8 5.0 2301 1595 B 75 ILE HG21 B 89 GLU HBx 1.0 1.8 5.0 2302 1595 B 89 GLU HBy B 75 ILE HG21 1.0 1.8 5.0 2303 1596 B 75 ILE HG21 B 89 GLU HGx 1.0 1.8 5.0 2304 1596 B 75 ILE HG21 B 89 GLU HGy 1.0 1.8 5.0 2305 1597 B 76 ALA HB1 B 78 ARG HDx 1.0 1.8 5.0 2306 1597 B 76 ALA HB1 B 78 ARG HDy 1.0 1.8 5.0 2307 1598 B 76 ALA HB1 B 87 VAL HB 1.0 1.8 5.0 2308 1599 B 76 ALA HB1 B 87 VAL HG11 1.0 1.8 5.0 2309 1600 B 76 ALA HB1 B 87 VAL HG21 1.0 1.8 5.0 2310 1601 B 77 ALA HB1 B 84 PHE HE% 1.0 1.8 5.0 2311 1602 B 77 ALA HB1 B 84 PHE HZ 1.0 1.8 5.0 2312 1603 B 77 ALA HB1 B 86 ALA HB1 1.0 1.8 5.0 2313 1604 B 78 ARG HDy B 85 GLU HBx 1.0 1.8 5.0 2314 1604 B 78 ARG HDx B 85 GLU HBx 1.0 1.8 5.0 2315 1604 B 85 GLU HBy B 78 ARG HDx 1.0 1.8 5.0 2316 1604 B 85 GLU HBy B 78 ARG HDy 1.0 1.8 5.0 2317 1605 B 78 ARG HDy B 85 GLU HGx 1.0 1.8 5.0 2318 1605 B 78 ARG HDx B 85 GLU HGx 1.0 1.8 5.0 2319 1605 B 85 GLU HGy B 78 ARG HDx 1.0 1.8 5.0 2320 1605 B 78 ARG HDy B 85 GLU HGy 1.0 1.8 5.0 2321 1606 B 87 VAL HG21 B 78 ARG HDx 1.0 1.8 5.0 2322 1606 B 78 ARG HDy B 87 VAL HG21 1.0 1.8 5.0 2323 1607 B 78 ARG HGx B 85 GLU HBx 1.0 1.8 5.0 2324 1607 B 78 ARG HGy B 85 GLU HBx 1.0 1.8 5.0 2325 1607 B 85 GLU HBy B 78 ARG HGx 1.0 1.8 5.0 2326 1607 B 85 GLU HBy B 78 ARG HGy 1.0 1.8 5.0 2327 1608 B 78 ARG HGx B 85 GLU HGx 1.0 1.8 5.0 2328 1608 B 78 ARG HGy B 85 GLU HGx 1.0 1.8 5.0 2329 1608 B 85 GLU HGy B 78 ARG HGx 1.0 1.8 5.0 2330 1608 B 78 ARG HGy B 85 GLU HGy 1.0 1.8 5.0 2331 1609 B 78 ARG HGy B 80 HIS HBx 1.0 1.8 6.0 2332 1609 B 78 ARG HGx B 80 HIS HBx 1.0 1.8 6.0 2333 1609 B 80 HIS HBy B 78 ARG HGx 1.0 1.8 6.0 2334 1609 B 78 ARG HGy B 80 HIS HBy 1.0 1.8 6.0 2335 1610 B 84 PHE HD% B 79 GLU HBx 1.0 1.8 5.0 2336 1610 B 79 GLU HBy B 84 PHE HD% 1.0 1.8 5.0 2337 1611 B 84 PHE HE% B 79 GLU HBx 1.0 1.8 5.0 2338 1611 B 79 GLU HBy B 84 PHE HE% 1.0 1.8 5.0 2339 1612 B 79 GLU HGx B 84 PHE HBx 1.0 1.8 5.0 2340 1612 B 79 GLU HGy B 84 PHE HBx 1.0 1.8 5.0 2341 1612 B 84 PHE HBy B 79 GLU HGx 1.0 1.8 5.0 2342 1612 B 79 GLU HGy B 84 PHE HBy 1.0 1.8 5.0 2343 1613 B 84 PHE HD% B 79 GLU HGx 1.0 1.8 5.0 2344 1613 B 79 GLU HGy B 84 PHE HD% 1.0 1.8 5.0 2345 1614 B 84 PHE HE% B 79 GLU HGx 1.0 1.8 5.0 2346 1614 B 79 GLU HGy B 84 PHE HE% 1.0 1.8 5.0 2347 1615 B 80 HIS HBy B 85 GLU HGx 1.0 1.8 5.0 2348 1615 B 80 HIS HBx B 85 GLU HGx 1.0 1.8 5.0 2349 1615 B 85 GLU HGy B 80 HIS HBx 1.0 1.8 5.0 2350 1615 B 85 GLU HGy B 80 HIS HBy 1.0 1.8 5.0 2351 1616 B 83 ASN HBy B 85 GLU HGx 1.0 1.8 5.0 2352 1616 B 83 ASN HBx B 85 GLU HGx 1.0 1.8 5.0 2353 1616 B 85 GLU HGy B 83 ASN HBx 1.0 1.8 5.0 2354 1616 B 83 ASN HBy B 85 GLU HGy 1.0 1.8 5.0 2355 1617 B 84 PHE HD% B 86 ALA HB1 1.0 1.8 5.0 2356 1618 B 84 PHE HE% B 86 ALA HB1 1.0 1.8 5.0 2357 1619 B 86 ALA HB1 B 84 PHE HZ 1.0 1.8 5.0 2358 1620 B 87 VAL HG21 B 85 GLU HBx 1.0 1.8 5.0 2359 1620 B 85 GLU HBy B 87 VAL HG21 1.0 1.8 5.0 2360 1621 B 87 VAL HG21 B 85 GLU HGx 1.0 1.8 5.0 2361 1621 B 85 GLU HGy B 87 VAL HG21 1.0 1.8 5.0 2362 1622 B 91 TYR HE% B 89 GLU HBx 1.0 1.8 5.0 2363 1622 B 89 GLU HBy B 91 TYR HE% 1.0 1.8 5.0 2364 1623 B 91 TYR HE% B 89 GLU HGx 1.0 1.8 5.0 2365 1623 B 89 GLU HGy B 91 TYR HE% 1.0 1.8 5.0 2366 1624 B 90 VAL HG11 B 92 ASN HD2x 1.0 1.8 5.0 2367 1624 B 90 VAL HG11 B 92 ASN HD2y 1.0 1.8 5.0 2368 1625 A 23 GLU H A 23 GLU HGy 1.0 1.8 5.0 2369 1625 A 23 GLU H A 23 GLU HGx 1.0 1.8 5.0 2370 1626 A 24 GLN H A 24 GLN HGy 1.0 1.8 5.0 2371 1626 A 24 GLN H A 24 GLN HGx 1.0 1.8 5.0 2372 1627 A 25 VAL HB A 25 VAL HA 1.0 1.8 2.8 2373 1628 A 25 VAL HG1% A 25 VAL HA 1.0 1.8 5.0 2374 1629 A 25 VAL H A 25 VAL HG1% 1.0 1.8 5.0 2375 1630 A 25 VAL H A 25 VAL HG2% 1.0 1.8 5.0 2376 1631 A 27 LYS HA A 27 LYS HDy 1.0 1.8 5.0 2377 1631 A 27 LYS HA A 27 LYS HDx 1.0 1.8 5.0 2378 1632 A 27 LYS HBx A 27 LYS HE2 1.0 1.8 5.0 2379 1632 A 27 LYS HBy A 27 LYS HE2 1.0 1.8 5.0 2380 1632 A 27 LYS HE3 A 27 LYS HBy 1.0 1.8 5.0 2381 1632 A 27 LYS HBx A 27 LYS HE3 1.0 1.8 5.0 2382 1633 A 27 LYS HE2 A 27 LYS HGy 1.0 1.8 5.0 2383 1633 A 27 LYS HE3 A 27 LYS HGy 1.0 1.8 5.0 2384 1633 A 27 LYS HGx A 27 LYS HE2 1.0 1.8 5.0 2385 1633 A 27 LYS HGx A 27 LYS HE3 1.0 1.8 5.0 2386 1634 A 27 LYS H A 27 LYS HBy 1.0 1.8 5.0 2387 1634 A 27 LYS H A 27 LYS HBx 1.0 1.8 5.0 2388 1635 A 27 LYS H A 27 LYS HDy 1.0 1.8 5.0 2389 1635 A 27 LYS H A 27 LYS HDx 1.0 1.8 5.0 2390 1636 A 27 LYS H A 27 LYS HGy 1.0 1.8 5.0 2391 1636 A 27 LYS H A 27 LYS HGx 1.0 1.8 5.0 2392 1637 A 28 GLN HA A 28 GLN HE2y 1.0 1.8 5.0 2393 1637 A 28 GLN HA A 28 GLN HE2x 1.0 1.8 5.0 2394 1638 A 28 GLN HA A 28 GLN HG2 1.0 1.8 5.0 2395 1638 A 28 GLN HA A 28 GLN HG3 1.0 1.8 5.0 2396 1639 A 28 GLN H A 28 GLN HE2y 1.0 1.8 5.0 2397 1639 A 28 GLN H A 28 GLN HE2x 1.0 1.8 5.0 2398 1640 A 28 GLN H A 28 GLN HG2 1.0 1.8 5.0 2399 1640 A 28 GLN H A 28 GLN HG3 1.0 1.8 5.0 2400 1641 A 29 GLU H A 29 GLU HGy 1.0 1.8 5.0 2401 1641 A 29 GLU H A 29 GLU HGx 1.0 1.8 5.0 2402 1642 A 30 ILE HA A 30 ILE HD1% 1.0 1.8 5.0 2403 1643 A 30 ILE HB A 30 ILE HD1% 1.0 1.8 5.0 2404 1644 A 30 ILE HD1% A 30 ILE HG2% 1.0 1.8 5.0 2405 1645 A 30 ILE H A 30 ILE HB 1.0 1.8 5.0 2406 1646 A 30 ILE H A 30 ILE HD1% 1.0 1.8 5.0 2407 1647 A 30 ILE H A 30 ILE HG1x 1.0 1.8 5.0 2408 1647 A 30 ILE H A 30 ILE HG1y 1.0 1.8 5.0 2409 1648 A 30 ILE H A 30 ILE HG2% 1.0 1.8 5.0 2410 1649 A 31 SER H A 31 SER HB2 1.0 1.8 5.0 2411 1649 A 31 SER H A 31 SER HB3 1.0 1.8 5.0 2412 1650 A 32 HIS H A 32 HIS HB2 1.0 1.8 5.0 2413 1650 A 32 HIS H A 32 HIS HB3 1.0 1.8 5.0 2414 1651 A 33 PHE H A 33 PHE HD% 1.0 1.8 5.0 2415 1652 A 34 LYS HA A 34 LYS HDy 1.0 1.8 5.0 2416 1652 A 34 LYS HDx A 34 LYS HA 1.0 1.8 5.0 2417 1653 A 34 LYS HA A 34 LYS HE2 1.0 1.8 5.0 2418 1653 A 34 LYS HA A 34 LYS HE3 1.0 1.8 5.0 2419 1654 A 34 LYS HA A 34 LYS HG2 1.0 1.8 5.0 2420 1654 A 34 LYS HG3 A 34 LYS HA 1.0 1.8 5.0 2421 1655 A 34 LYS HBy A 34 LYS HE2 1.0 1.8 5.0 2422 1655 A 34 LYS HBx A 34 LYS HE2 1.0 1.8 5.0 2423 1655 A 34 LYS HE3 A 34 LYS HBy 1.0 1.8 5.0 2424 1655 A 34 LYS HBx A 34 LYS HE3 1.0 1.8 5.0 2425 1656 A 34 LYS HE2 A 34 LYS HG2 1.0 1.8 5.0 2426 1656 A 34 LYS HE3 A 34 LYS HG2 1.0 1.8 5.0 2427 1656 A 34 LYS HG3 A 34 LYS HE2 1.0 1.8 5.0 2428 1656 A 34 LYS HG3 A 34 LYS HE3 1.0 1.8 5.0 2429 1657 A 34 LYS H A 34 LYS HDy 1.0 1.8 5.0 2430 1657 A 34 LYS H A 34 LYS HDx 1.0 1.8 5.0 2431 1658 A 34 LYS H A 34 LYS HE2 1.0 1.8 5.0 2432 1658 A 34 LYS H A 34 LYS HE3 1.0 1.8 5.0 2433 1659 A 34 LYS H A 34 LYS HG2 1.0 1.8 5.0 2434 1659 A 34 LYS H A 34 LYS HG3 1.0 1.8 5.0 2435 1660 A 35 LEU HA A 35 LEU HD1% 1.0 1.8 5.0 2436 1661 A 35 LEU HA A 35 LEU HD2% 1.0 1.8 3.0 2437 1662 A 35 LEU HD2% A 35 LEU HB2 1.0 1.8 5.0 2438 1662 A 35 LEU HB3 A 35 LEU HD2% 1.0 1.8 5.0 2439 1663 A 35 LEU HD1% A 35 LEU HB2 1.0 1.8 5.0 2440 1663 A 35 LEU HB3 A 35 LEU HD1% 1.0 1.8 5.0 2441 1664 A 35 LEU H A 35 LEU HD1% 1.0 1.8 5.0 2442 1665 A 35 LEU H A 35 LEU HD2% 1.0 1.8 5.0 2443 1666 A 35 LEU H A 35 LEU HG 1.0 1.8 5.0 2444 1667 A 36 VAL HA A 36 VAL HG1% 1.0 1.8 5.0 2445 1668 A 36 VAL HA A 36 VAL HG2% 1.0 1.8 5.0 2446 1669 A 36 VAL H A 36 VAL HB 1.0 1.8 5.0 2447 1670 A 36 VAL H A 36 VAL HG1% 1.0 1.8 5.0 2448 1671 A 36 VAL H A 36 VAL HG2% 1.0 1.8 5.0 2449 1672 A 37 LYS HA A 37 LYS HD2 1.0 1.8 5.0 2450 1672 A 37 LYS HA A 37 LYS HD3 1.0 1.8 5.0 2451 1673 A 37 LYS HBx A 37 LYS HEy 1.0 1.8 5.0 2452 1673 A 37 LYS HBy A 37 LYS HEy 1.0 1.8 5.0 2453 1673 A 37 LYS HEx A 37 LYS HBx 1.0 1.8 5.0 2454 1673 A 37 LYS HBy A 37 LYS HEx 1.0 1.8 5.0 2455 1674 A 37 LYS H A 37 LYS HBx 1.0 1.8 5.0 2456 1675 A 37 LYS H A 37 LYS HBy 1.0 1.8 5.0 2457 1676 A 37 LYS H A 37 LYS HD2 1.0 1.8 5.0 2458 1676 A 37 LYS H A 37 LYS HD3 1.0 1.8 5.0 2459 1677 A 37 LYS H A 37 LYS HGy 1.0 1.8 5.0 2460 1678 A 37 LYS H A 37 LYS HGy 1.0 1.8 5.0 2461 1678 A 37 LYS H A 37 LYS HGx 1.0 1.8 5.0 2462 1679 A 37 LYS H A 37 LYS HGx 1.0 1.8 5.0 2463 1680 A 38 VAL HG1% A 38 VAL HA 1.0 1.8 5.0 2464 1681 A 38 VAL HG2% A 38 VAL HA 1.0 1.8 5.0 2465 1682 A 38 VAL H A 38 VAL HG1% 1.0 1.8 5.0 2466 1683 A 38 VAL H A 38 VAL HG2% 1.0 1.8 4.0 2467 1684 A 40 THR HA A 40 THR HG2% 1.0 1.8 5.0 2468 1685 A 40 THR H A 40 THR HG2% 1.0 1.8 5.0 2469 1686 A 41 ILE HA A 41 ILE HD1% 1.0 1.8 5.0 2470 1687 A 41 ILE HA A 41 ILE HG2% 1.0 1.8 3.0 2471 1688 A 41 ILE HB A 41 ILE HD1% 1.0 1.8 5.0 2472 1689 A 41 ILE H A 41 ILE HD1% 1.0 1.8 5.0 2473 1690 A 41 ILE H A 41 ILE HG1y 1.0 1.8 5.0 2474 1690 A 41 ILE H A 41 ILE HG1x 1.0 1.8 5.0 2475 1691 A 41 ILE H A 41 ILE HG2% 1.0 1.8 5.0 2476 1692 A 42 ASN H A 42 ASN HB2 1.0 1.8 5.0 2477 1692 A 42 ASN H A 42 ASN HB3 1.0 1.8 5.0 2478 1693 A 42 ASN H A 42 ASN HD21 1.0 1.8 5.0 2479 1693 A 42 ASN H A 42 ASN HD22 1.0 1.8 5.0 2480 1694 A 43 VAL HA A 43 VAL HG1% 1.0 1.8 5.0 2481 1695 A 43 VAL HA A 43 VAL HG2% 1.0 1.8 5.0 2482 1696 A 43 VAL H A 43 VAL HB 1.0 1.8 5.0 2483 1697 A 43 VAL H A 43 VAL HG1% 1.0 1.8 5.0 2484 1698 A 43 VAL H A 43 VAL HG2% 1.0 1.8 5.0 2485 1699 A 44 SER H A 44 SER HB2 1.0 1.8 5.0 2486 1699 A 44 SER H A 44 SER HB3 1.0 1.8 5.0 2487 1700 A 45 GLN HBy A 45 GLN HE22 1.0 1.8 5.0 2488 1700 A 45 GLN HBx A 45 GLN HE22 1.0 1.8 5.0 2489 1700 A 45 GLN HE21 A 45 GLN HBy 1.0 1.8 5.0 2490 1700 A 45 GLN HBx A 45 GLN HE21 1.0 1.8 5.0 2491 1701 A 45 GLN H A 45 GLN HG2 1.0 1.8 5.0 2492 1701 A 45 GLN H A 45 GLN HG3 1.0 1.8 5.0 2493 1702 A 49 GLN HA A 49 GLN HG2 1.0 1.8 5.0 2494 1702 A 49 GLN HG3 A 49 GLN HA 1.0 1.8 5.0 2495 1703 A 49 GLN H A 49 GLN HB2 1.0 1.8 5.0 2496 1703 A 49 GLN H A 49 GLN HB3 1.0 1.8 5.0 2497 1704 A 49 GLN H A 49 GLN HG2 1.0 1.8 5.0 2498 1704 A 49 GLN H A 49 GLN HG3 1.0 1.8 5.0 2499 1705 A 50 ILE HA A 50 ILE HD1% 1.0 1.8 5.0 2500 1706 A 50 ILE HA A 50 ILE HG2% 1.0 1.8 5.0 2501 1707 A 50 ILE HB A 50 ILE HD1% 1.0 1.8 5.0 2502 1708 A 50 ILE HG2% A 50 ILE HG1y 1.0 1.8 5.0 2503 1708 A 50 ILE HG1x A 50 ILE HG2% 1.0 1.8 5.0 2504 1709 A 50 ILE H A 50 ILE HB 1.0 1.8 5.0 2505 1710 A 50 ILE H A 50 ILE HD1% 1.0 1.8 5.0 2506 1711 A 50 ILE H A 50 ILE HG1y 1.0 1.8 5.0 2507 1711 A 50 ILE H A 50 ILE HG1x 1.0 1.8 5.0 2508 1712 A 50 ILE H A 50 ILE HG2% 1.0 1.8 5.0 2509 1713 A 56 LEU HA A 56 LEU HD1% 1.0 1.8 5.0 2510 1714 A 56 LEU HA A 56 LEU HD2% 1.0 1.8 5.0 2511 1715 A 56 LEU HD2% A 56 LEU HB2 1.0 1.8 5.0 2512 1715 A 56 LEU HB3 A 56 LEU HD2% 1.0 1.8 5.0 2513 1716 A 56 LEU H A 56 LEU HB2 1.0 1.8 5.0 2514 1716 A 56 LEU H A 56 LEU HB3 1.0 1.8 5.0 2515 1717 A 56 LEU H A 56 LEU HD1% 1.0 1.8 5.0 2516 1718 A 56 LEU H A 56 LEU HD2% 1.0 1.8 5.0 2517 1719 A 56 LEU H A 56 LEU HG 1.0 1.8 5.0 2518 1720 A 57 ARG HA A 57 ARG HDy 1.0 1.8 5.0 2519 1720 A 57 ARG HA A 57 ARG HDx 1.0 1.8 5.0 2520 1721 A 57 ARG H A 57 ARG HBy 1.0 1.8 5.0 2521 1721 A 57 ARG H A 57 ARG HBx 1.0 1.8 5.0 2522 1722 A 57 ARG H A 57 ARG HDy 1.0 1.8 5.0 2523 1722 A 57 ARG H A 57 ARG HDx 1.0 1.8 5.0 2524 1723 A 57 ARG H A 57 ARG HGy 1.0 1.8 5.0 2525 1723 A 57 ARG H A 57 ARG HGx 1.0 1.8 5.0 2526 1724 A 58 GLU HA A 58 GLU HGy 1.0 1.8 5.0 2527 1724 A 58 GLU HA A 58 GLU HGx 1.0 1.8 5.0 2528 1725 A 58 GLU H A 58 GLU HB2 1.0 1.8 5.0 2529 1725 A 58 GLU H A 58 GLU HB3 1.0 1.8 5.0 2530 1726 A 58 GLU H A 58 GLU HGy 1.0 1.8 5.0 2531 1726 A 58 GLU H A 58 GLU HGx 1.0 1.8 5.0 2532 1727 A 59 LYS HA A 59 LYS HDy 1.0 1.8 5.0 2533 1727 A 59 LYS HA A 59 LYS HDx 1.0 1.8 5.0 2534 1728 A 59 LYS HA A 59 LYS HE2 1.0 1.8 5.0 2535 1728 A 59 LYS HA A 59 LYS HE3 1.0 1.8 5.0 2536 1729 A 59 LYS HBx A 59 LYS HE2 1.0 1.8 5.0 2537 1729 A 59 LYS HBy A 59 LYS HE2 1.0 1.8 5.0 2538 1729 A 59 LYS HE3 A 59 LYS HBy 1.0 1.8 5.0 2539 1729 A 59 LYS HBx A 59 LYS HE3 1.0 1.8 5.0 2540 1730 A 59 LYS H A 59 LYS HBy 1.0 1.8 5.0 2541 1730 A 59 LYS H A 59 LYS HBx 1.0 1.8 5.0 2542 1731 A 59 LYS H A 59 LYS HDy 1.0 1.8 5.0 2543 1731 A 59 LYS H A 59 LYS HDx 1.0 1.8 5.0 2544 1732 A 59 LYS H A 59 LYS HE2 1.0 1.8 5.0 2545 1732 A 59 LYS H A 59 LYS HE3 1.0 1.8 5.0 2546 1733 A 59 LYS H A 59 LYS HGy 1.0 1.8 5.0 2547 1733 A 59 LYS H A 59 LYS HGx 1.0 1.8 5.0 2548 1734 A 60 LEU HA A 60 LEU HD2% 1.0 1.8 3.5 2549 1735 A 60 LEU HD2% A 60 LEU HB2 1.0 1.8 5.0 2550 1735 A 60 LEU HB3 A 60 LEU HD2% 1.0 1.8 5.0 2551 1736 A 60 LEU H A 60 LEU HB2 1.0 1.8 5.0 2552 1736 A 60 LEU H A 60 LEU HB3 1.0 1.8 5.0 2553 1737 A 60 LEU H A 60 LEU HD1% 1.0 1.8 5.0 2554 1738 A 60 LEU H A 60 LEU HD2% 1.0 1.8 3.5 2555 1739 A 60 LEU H A 60 LEU HG 1.0 1.8 5.0 2556 1740 A 61 SER H A 61 SER HBx 1.0 1.8 5.0 2557 1740 A 61 SER H A 61 SER HBy 1.0 1.8 5.0 2558 1741 A 62 GLU HA A 62 GLU HGy 1.0 1.8 5.0 2559 1741 A 62 GLU HA A 62 GLU HGx 1.0 1.8 5.0 2560 1742 A 62 GLU H A 62 GLU HBy 1.0 1.8 5.0 2561 1742 A 62 GLU H A 62 GLU HBx 1.0 1.8 5.0 2562 1743 A 62 GLU H A 62 GLU HGy 1.0 1.8 5.0 2563 1743 A 62 GLU H A 62 GLU HGx 1.0 1.8 5.0 2564 1744 A 63 LEU HA A 63 LEU HD1% 1.0 1.8 5.0 2565 1745 A 63 LEU HA A 63 LEU HD2% 1.0 1.8 5.0 2566 1746 A 63 LEU HD1% A 63 LEU HBy 1.0 1.8 5.0 2567 1746 A 63 LEU HBx A 63 LEU HD1% 1.0 1.8 5.0 2568 1747 A 63 LEU HD2% A 63 LEU HBy 1.0 1.8 5.0 2569 1747 A 63 LEU HBx A 63 LEU HD2% 1.0 1.8 5.0 2570 1748 A 63 LEU HD1% A 63 LEU HBy 1.0 1.8 5.0 2571 1748 A 63 LEU HBx A 63 LEU HD1% 1.0 1.8 5.0 2572 1749 A 63 LEU H A 63 LEU HBy 1.0 1.8 5.0 2573 1749 A 63 LEU H A 63 LEU HBx 1.0 1.8 5.0 2574 1750 A 63 LEU H A 63 LEU HD1% 1.0 1.8 5.0 2575 1751 A 63 LEU H A 63 LEU HD2% 1.0 1.8 5.0 2576 1752 A 63 LEU H A 63 LEU HG 1.0 1.8 5.0 2577 1753 A 64 ALA H A 64 ALA HB% 1.0 1.8 5.0 2578 1754 A 65 ASP H A 65 ASP HBy 1.0 1.8 5.0 2579 1754 A 65 ASP H A 65 ASP HBx 1.0 1.8 5.0 2580 1755 A 66 ALA H A 66 ALA HB% 1.0 1.8 5.0 2581 1756 A 67 LYS HA A 67 LYS HD2 1.0 1.8 5.0 2582 1756 A 67 LYS HD3 A 67 LYS HA 1.0 1.8 5.0 2583 1757 A 67 LYS HA A 67 LYS HE2 1.0 1.8 5.0 2584 1757 A 67 LYS HE3 A 67 LYS HA 1.0 1.8 5.0 2585 1758 A 67 LYS HBx A 67 LYS HE2 1.0 1.8 5.0 2586 1758 A 67 LYS HBy A 67 LYS HE2 1.0 1.8 5.0 2587 1758 A 67 LYS HE3 A 67 LYS HBy 1.0 1.8 5.0 2588 1758 A 67 LYS HBx A 67 LYS HE3 1.0 1.8 5.0 2589 1759 A 67 LYS H A 67 LYS HBy 1.0 1.8 5.0 2590 1759 A 67 LYS H A 67 LYS HBx 1.0 1.8 5.0 2591 1760 A 67 LYS H A 67 LYS HD2 1.0 1.8 5.0 2592 1760 A 67 LYS H A 67 LYS HD3 1.0 1.8 5.0 2593 1761 A 67 LYS H A 67 LYS HE2 1.0 1.8 5.0 2594 1761 A 67 LYS H A 67 LYS HE3 1.0 1.8 5.0 2595 1762 A 67 LYS H A 67 LYS HGy 1.0 1.8 5.0 2596 1762 A 67 LYS H A 67 LYS HGx 1.0 1.8 5.0 2597 1763 A 70 LYS HA A 70 LYS HD2 1.0 1.8 5.0 2598 1763 A 70 LYS HA A 70 LYS HD3 1.0 1.8 5.0 2599 1764 A 70 LYS HA A 70 LYS HE2 1.0 1.8 5.0 2600 1764 A 70 LYS HA A 70 LYS HE3 1.0 1.8 5.0 2601 1765 A 70 LYS HA A 70 LYS HGy 1.0 1.8 5.0 2602 1765 A 70 LYS HGx A 70 LYS HA 1.0 1.8 5.0 2603 1766 A 70 LYS HB3 A 70 LYS HE2 1.0 1.8 5.0 2604 1766 A 70 LYS HB2 A 70 LYS HE2 1.0 1.8 5.0 2605 1766 A 70 LYS HE3 A 70 LYS HB2 1.0 1.8 5.0 2606 1766 A 70 LYS HB3 A 70 LYS HE3 1.0 1.8 5.0 2607 1767 A 70 LYS H A 70 LYS HB2 1.0 1.8 5.0 2608 1767 A 70 LYS H A 70 LYS HB3 1.0 1.8 5.0 2609 1768 A 70 LYS H A 70 LYS HD2 1.0 1.8 5.0 2610 1768 A 70 LYS H A 70 LYS HD3 1.0 1.8 5.0 2611 1769 A 70 LYS H A 70 LYS HE2 1.0 1.8 5.0 2612 1769 A 70 LYS H A 70 LYS HE3 1.0 1.8 5.0 2613 1770 A 70 LYS H A 70 LYS HGy 1.0 1.8 5.0 2614 1770 A 70 LYS H A 70 LYS HGx 1.0 1.8 5.0 2615 1771 A 72 TYR HA A 72 TYR HD% 1.0 1.8 5.0 2616 1772 A 72 TYR H A 72 TYR HD% 1.0 1.8 5.0 2617 1773 A 74 ILE HA A 74 ILE HD1% 1.0 1.8 5.0 2618 1774 A 74 ILE HA A 74 ILE HG2% 1.0 1.8 5.0 2619 1775 A 74 ILE HB A 74 ILE HD1% 1.0 1.8 5.0 2620 1776 A 74 ILE HD1% A 74 ILE HG2% 1.0 1.8 5.0 2621 1777 A 74 ILE H A 74 ILE HB 1.0 1.8 5.0 2622 1778 A 74 ILE H A 74 ILE HD1% 1.0 1.8 5.0 2623 1779 A 74 ILE H A 74 ILE HG1y 1.0 1.8 5.0 2624 1779 A 74 ILE H A 74 ILE HG1x 1.0 1.8 5.0 2625 1780 A 74 ILE H A 74 ILE HG2% 1.0 1.8 5.0 2626 1781 A 75 ILE HB A 75 ILE HA 1.0 1.8 2.8 2627 1782 A 75 ILE HD1% A 75 ILE HA 1.0 1.8 5.0 2628 1783 A 75 ILE HG2% A 75 ILE HA 1.0 1.8 5.0 2629 1784 A 75 ILE HB A 75 ILE HD1% 1.0 1.8 5.0 2630 1785 A 75 ILE H A 75 ILE HD1% 1.0 1.8 5.0 2631 1786 A 75 ILE H A 75 ILE HG1y 1.0 1.8 5.0 2632 1786 A 75 ILE H A 75 ILE HG1x 1.0 1.8 5.0 2633 1787 A 75 ILE H A 75 ILE HG2% 1.0 1.8 5.0 2634 1788 A 76 ALA H A 76 ALA HB% 1.0 1.8 5.0 2635 1789 A 77 ALA H A 77 ALA HB% 1.0 1.8 5.0 2636 1790 A 78 ARG HA A 78 ARG HD2 1.0 1.8 5.0 2637 1790 A 78 ARG HA A 78 ARG HD3 1.0 1.8 5.0 2638 1791 A 78 ARG HB2 A 78 ARG HD2 1.0 1.8 5.0 2639 1791 A 78 ARG HB3 A 78 ARG HD2 1.0 1.8 5.0 2640 1791 A 78 ARG HD3 A 78 ARG HB2 1.0 1.8 5.0 2641 1791 A 78 ARG HB3 A 78 ARG HD3 1.0 1.8 5.0 2642 1792 A 78 ARG H A 78 ARG HD2 1.0 1.8 5.0 2643 1792 A 78 ARG H A 78 ARG HD3 1.0 1.8 5.0 2644 1793 A 78 ARG H A 78 ARG HGy 1.0 1.8 5.0 2645 1793 A 78 ARG H A 78 ARG HGx 1.0 1.8 5.0 2646 1794 A 79 GLU HA A 79 GLU HG2 1.0 1.8 5.0 2647 1794 A 79 GLU HG3 A 79 GLU HA 1.0 1.8 5.0 2648 1795 A 79 GLU H A 79 GLU HBy 1.0 1.8 5.0 2649 1795 A 79 GLU H A 79 GLU HBx 1.0 1.8 5.0 2650 1796 A 79 GLU H A 79 GLU HG2 1.0 1.8 5.0 2651 1796 A 79 GLU H A 79 GLU HG3 1.0 1.8 5.0 2652 1797 A 83 ASN HA A 83 ASN HD2x 1.0 1.8 5.0 2653 1797 A 83 ASN HA A 83 ASN HD2y 1.0 1.8 5.0 2654 1798 A 83 ASN H A 83 ASN HB2 1.0 1.8 5.0 2655 1798 A 83 ASN H A 83 ASN HB3 1.0 1.8 5.0 2656 1799 A 83 ASN H A 83 ASN HD2x 1.0 1.8 5.0 2657 1799 A 83 ASN H A 83 ASN HD2y 1.0 1.8 5.0 2658 1800 A 84 PHE HA A 84 PHE HD% 1.0 1.8 5.0 2659 1801 A 84 PHE HD% A 84 PHE HZ 1.0 1.8 5.0 2660 1802 A 84 PHE H A 84 PHE HD% 1.0 1.8 5.0 2661 1803 A 85 GLU HA A 85 GLU HG2 1.0 1.8 5.0 2662 1803 A 85 GLU HA A 85 GLU HG3 1.0 1.8 5.0 2663 1804 A 85 GLU H A 85 GLU HG2 1.0 1.8 5.0 2664 1804 A 85 GLU H A 85 GLU HG3 1.0 1.8 5.0 2665 1805 A 86 ALA H A 86 ALA HB% 1.0 1.8 5.0 2666 1806 A 87 VAL HA A 87 VAL HG1% 1.0 1.8 5.0 2667 1807 A 87 VAL HA A 87 VAL HG2% 1.0 1.8 5.0 2668 1808 A 87 VAL H A 87 VAL HB 1.0 1.8 5.0 2669 1809 A 87 VAL H A 87 VAL HG1% 1.0 1.8 5.0 2670 1810 A 87 VAL H A 87 VAL HG2% 1.0 1.8 5.0 2671 1811 A 88 ALA H A 88 ALA HB% 1.0 1.8 5.0 2672 1812 A 89 GLU H A 89 GLU HGy 1.0 1.8 5.0 2673 1812 A 89 GLU H A 89 GLU HGx 1.0 1.8 5.0 2674 1813 A 90 VAL HG1% A 90 VAL HA 1.0 1.8 5.0 2675 1814 A 90 VAL HG2% A 90 VAL HA 1.0 1.8 5.0 2676 1815 A 90 VAL H A 90 VAL HB 1.0 1.8 5.0 2677 1816 A 90 VAL H A 90 VAL HG1% 1.0 1.8 5.0 2678 1817 A 90 VAL H A 90 VAL HG2% 1.0 1.8 4.0 2679 1818 A 91 TYR HD% A 91 TYR HA 1.0 1.8 5.0 2680 1819 A 91 TYR H A 91 TYR HD% 1.0 1.8 5.0 2681 1820 A 92 ASN HA A 92 ASN HD2y 1.0 1.8 5.0 2682 1820 A 92 ASN HA A 92 ASN HD2x 1.0 1.8 5.0 2683 1821 A 92 ASN HB2 A 92 ASN HD2y 1.0 1.8 5.0 2684 1821 A 92 ASN HB3 A 92 ASN HD2y 1.0 1.8 5.0 2685 1821 A 92 ASN HD2x A 92 ASN HB2 1.0 1.8 5.0 2686 1821 A 92 ASN HB3 A 92 ASN HD2x 1.0 1.8 5.0 2687 1822 A 92 ASN H A 92 ASN HD2y 1.0 1.8 5.0 2688 1822 A 92 ASN H A 92 ASN HD2x 1.0 1.8 5.0 2689 1823 A 93 ASP H A 93 ASP HBy 1.0 1.8 5.0 2690 1823 A 93 ASP H A 93 ASP HBx 1.0 1.8 5.0 2691 1824 A 94 ALA H A 94 ALA HB% 1.0 1.8 5.0 2692 1825 A 95 THR HG2% A 95 THR HA 1.0 1.8 5.0 2693 1826 A 95 THR H A 95 THR HB 1.0 1.8 5.0 2694 1827 A 95 THR H A 95 THR HG2% 1.0 1.8 5.0 2695 1828 A 96 LYS HA A 96 LYS HD2 1.0 1.8 5.0 2696 1828 A 96 LYS HA A 96 LYS HD3 1.0 1.8 5.0 2697 1829 A 96 LYS HBy A 96 LYS HE2 1.0 1.8 5.0 2698 1829 A 96 LYS HBx A 96 LYS HE2 1.0 1.8 5.0 2699 1829 A 96 LYS HE3 A 96 LYS HBy 1.0 1.8 5.0 2700 1829 A 96 LYS HBx A 96 LYS HE3 1.0 1.8 5.0 2701 1830 A 96 LYS HBy A 96 LYS HE2 1.0 1.8 5.0 2702 1830 A 96 LYS HBx A 96 LYS HE2 1.0 1.8 5.0 2703 1830 A 96 LYS HE3 A 96 LYS HBy 1.0 1.8 5.0 2704 1830 A 96 LYS HBx A 96 LYS HE3 1.0 1.8 5.0 2705 1831 A 96 LYS H A 96 LYS HBy 1.0 1.8 5.0 2706 1831 A 96 LYS H A 96 LYS HBx 1.0 1.8 5.0 2707 1832 A 96 LYS H A 96 LYS HD2 1.0 1.8 5.0 2708 1832 A 96 LYS H A 96 LYS HD3 1.0 1.8 5.0 2709 1833 A 96 LYS H A 96 LYS HGy 1.0 1.8 5.0 2710 1833 A 96 LYS H A 96 LYS HGx 1.0 1.8 5.0 2711 1834 B 23 GLU H B 23 GLU HGx 1.0 1.8 5.0 2712 1834 B 23 GLU H B 23 GLU HGy 1.0 1.8 5.0 2713 1835 B 24 GLN H B 24 GLN HGx 1.0 1.8 5.0 2714 1835 B 24 GLN H B 24 GLN HGy 1.0 1.8 5.0 2715 1836 B 25 VAL HB B 25 VAL HA 1.0 1.8 2.8 2716 1837 B 25 VAL HG11 B 25 VAL HA 1.0 1.8 5.0 2717 1838 B 25 VAL H B 25 VAL HG11 1.0 1.8 5.0 2718 1839 B 25 VAL H B 25 VAL HG21 1.0 1.8 5.0 2719 1840 B 27 LYS HA B 27 LYS HDx 1.0 1.8 5.0 2720 1840 B 27 LYS HA B 27 LYS HDy 1.0 1.8 5.0 2721 1841 B 27 LYS HBx B 27 LYS HEx 1.0 1.8 5.0 2722 1841 B 27 LYS HBy B 27 LYS HEx 1.0 1.8 5.0 2723 1841 B 27 LYS HEy B 27 LYS HBx 1.0 1.8 5.0 2724 1841 B 27 LYS HBy B 27 LYS HEy 1.0 1.8 5.0 2725 1842 B 27 LYS HEy B 27 LYS HGx 1.0 1.8 5.0 2726 1842 B 27 LYS HEx B 27 LYS HGx 1.0 1.8 5.0 2727 1842 B 27 LYS HGy B 27 LYS HEx 1.0 1.8 5.0 2728 1842 B 27 LYS HGy B 27 LYS HEy 1.0 1.8 5.0 2729 1843 B 27 LYS H B 27 LYS HBx 1.0 1.8 5.0 2730 1843 B 27 LYS H B 27 LYS HBy 1.0 1.8 5.0 2731 1844 B 27 LYS H B 27 LYS HDx 1.0 1.8 5.0 2732 1844 B 27 LYS H B 27 LYS HDy 1.0 1.8 5.0 2733 1845 B 27 LYS H B 27 LYS HGx 1.0 1.8 5.0 2734 1845 B 27 LYS H B 27 LYS HGy 1.0 1.8 5.0 2735 1846 B 28 GLN HA B 28 GLN HE2x 1.0 1.8 5.0 2736 1846 B 28 GLN HA B 28 GLN HE2y 1.0 1.8 5.0 2737 1847 B 28 GLN HA B 28 GLN HGx 1.0 1.8 5.0 2738 1847 B 28 GLN HA B 28 GLN HGy 1.0 1.8 5.0 2739 1848 B 28 GLN H B 28 GLN HE2x 1.0 1.8 5.0 2740 1848 B 28 GLN H B 28 GLN HE2y 1.0 1.8 5.0 2741 1849 B 28 GLN H B 28 GLN HGx 1.0 1.8 5.0 2742 1849 B 28 GLN H B 28 GLN HGy 1.0 1.8 5.0 2743 1850 B 29 GLU H B 29 GLU HGx 1.0 1.8 5.0 2744 1850 B 29 GLU H B 29 GLU HGy 1.0 1.8 5.0 2745 1851 B 30 ILE HA B 30 ILE HD11 1.0 1.8 5.0 2746 1852 B 30 ILE HB B 30 ILE HD11 1.0 1.8 5.0 2747 1853 B 30 ILE HD11 B 30 ILE HG21 1.0 1.8 5.0 2748 1854 B 30 ILE H B 30 ILE HB 1.0 1.8 5.0 2749 1855 B 30 ILE H B 30 ILE HD11 1.0 1.8 5.0 2750 1856 B 30 ILE H B 30 ILE HG1x 1.0 1.8 5.0 2751 1856 B 30 ILE H B 30 ILE HG1y 1.0 1.8 5.0 2752 1857 B 30 ILE H B 30 ILE HG21 1.0 1.8 5.0 2753 1858 B 31 SER H B 31 SER HBx 1.0 1.8 5.0 2754 1858 B 31 SER H B 31 SER HBy 1.0 1.8 5.0 2755 1859 B 32 HIS H B 32 HIS HBx 1.0 1.8 5.0 2756 1859 B 32 HIS H B 32 HIS HBy 1.0 1.8 5.0 2757 1860 B 33 PHE H B 33 PHE HD% 1.0 1.8 5.0 2758 1861 B 34 LYS HA B 34 LYS HDx 1.0 1.8 5.0 2759 1861 B 34 LYS HDy B 34 LYS HA 1.0 1.8 5.0 2760 1862 B 34 LYS HA B 34 LYS HEx 1.0 1.8 5.0 2761 1862 B 34 LYS HA B 34 LYS HEy 1.0 1.8 5.0 2762 1863 B 34 LYS HA B 34 LYS HGx 1.0 1.8 5.0 2763 1863 B 34 LYS HGy B 34 LYS HA 1.0 1.8 5.0 2764 1864 B 34 LYS HBy B 34 LYS HEx 1.0 1.8 5.0 2765 1864 B 34 LYS HBx B 34 LYS HEx 1.0 1.8 5.0 2766 1864 B 34 LYS HEy B 34 LYS HBx 1.0 1.8 5.0 2767 1864 B 34 LYS HBy B 34 LYS HEy 1.0 1.8 5.0 2768 1865 B 34 LYS HEy B 34 LYS HGx 1.0 1.8 5.0 2769 1865 B 34 LYS HEx B 34 LYS HGx 1.0 1.8 5.0 2770 1865 B 34 LYS HGy B 34 LYS HEx 1.0 1.8 5.0 2771 1865 B 34 LYS HGy B 34 LYS HEy 1.0 1.8 5.0 2772 1866 B 34 LYS H B 34 LYS HDx 1.0 1.8 5.0 2773 1866 B 34 LYS H B 34 LYS HDy 1.0 1.8 5.0 2774 1867 B 34 LYS H B 34 LYS HEx 1.0 1.8 5.0 2775 1867 B 34 LYS H B 34 LYS HEy 1.0 1.8 5.0 2776 1868 B 34 LYS H B 34 LYS HGx 1.0 1.8 5.0 2777 1868 B 34 LYS H B 34 LYS HGy 1.0 1.8 5.0 2778 1869 B 35 LEU HA B 35 LEU HD11 1.0 1.8 5.0 2779 1870 B 35 LEU HA B 35 LEU HD21 1.0 1.8 3.0 2780 1871 B 35 LEU HD21 B 35 LEU HBx 1.0 1.8 5.0 2781 1871 B 35 LEU HBy B 35 LEU HD21 1.0 1.8 5.0 2782 1872 B 35 LEU HBx B 35 LEU HD11 1.0 1.8 5.0 2783 1872 B 35 LEU HBy B 35 LEU HD11 1.0 1.8 5.0 2784 1873 B 35 LEU H B 35 LEU HD11 1.0 1.8 5.0 2785 1874 B 35 LEU H B 35 LEU HD21 1.0 1.8 5.0 2786 1875 B 35 LEU H B 35 LEU HG 1.0 1.8 5.0 2787 1876 B 36 VAL HA B 36 VAL HG11 1.0 1.8 5.0 2788 1877 B 36 VAL HA B 36 VAL HG21 1.0 1.8 5.0 2789 1878 B 36 VAL H B 36 VAL HB 1.0 1.8 5.0 2790 1879 B 36 VAL H B 36 VAL HG11 1.0 1.8 5.0 2791 1880 B 36 VAL H B 36 VAL HG21 1.0 1.8 5.0 2792 1881 B 37 LYS HA B 37 LYS HDx 1.0 1.8 5.0 2793 1881 B 37 LYS HA B 37 LYS HDy 1.0 1.8 5.0 2794 1882 B 37 LYS HBy B 37 LYS HEx 1.0 1.8 5.0 2795 1882 B 37 LYS HBx B 37 LYS HEx 1.0 1.8 5.0 2796 1882 B 37 LYS HEy B 37 LYS HBy 1.0 1.8 5.0 2797 1882 B 37 LYS HBx B 37 LYS HEy 1.0 1.8 5.0 2798 1883 B 37 LYS H B 37 LYS HBy 1.0 1.8 5.0 2799 1884 B 37 LYS H B 37 LYS HBx 1.0 1.8 5.0 2800 1885 B 37 LYS H B 37 LYS HDx 1.0 1.8 5.0 2801 1885 B 37 LYS H B 37 LYS HDy 1.0 1.8 5.0 2802 1886 B 37 LYS H B 37 LYS HGy 1.0 1.8 5.0 2803 1887 B 37 LYS H B 37 LYS HGy 1.0 1.8 5.0 2804 1887 B 37 LYS H B 37 LYS HGx 1.0 1.8 5.0 2805 1888 B 37 LYS H B 37 LYS HGx 1.0 1.8 5.0 2806 1889 B 38 VAL HG11 B 38 VAL HA 1.0 1.8 5.0 2807 1890 B 38 VAL HG21 B 38 VAL HA 1.0 1.8 5.0 2808 1891 B 38 VAL H B 38 VAL HG11 1.0 1.8 5.0 2809 1892 B 38 VAL H B 38 VAL HG21 1.0 1.8 4.0 2810 1893 B 40 THR HA B 40 THR HG21 1.0 1.8 5.0 2811 1894 B 40 THR H B 40 THR HG21 1.0 1.8 5.0 2812 1895 B 41 ILE HA B 41 ILE HD11 1.0 1.8 5.0 2813 1896 B 41 ILE HA B 41 ILE HG21 1.0 1.8 3.0 2814 1897 B 41 ILE HB B 41 ILE HD11 1.0 1.8 5.0 2815 1898 B 41 ILE H B 41 ILE HD11 1.0 1.8 5.0 2816 1899 B 41 ILE H B 41 ILE HG1x 1.0 1.8 5.0 2817 1899 B 41 ILE H B 41 ILE HG1y 1.0 1.8 5.0 2818 1900 B 41 ILE H B 41 ILE HG21 1.0 1.8 5.0 2819 1901 B 42 ASN H B 42 ASN HBx 1.0 1.8 5.0 2820 1901 B 42 ASN H B 42 ASN HBy 1.0 1.8 5.0 2821 1902 B 42 ASN H B 42 ASN HD2x 1.0 1.8 5.0 2822 1902 B 42 ASN H B 42 ASN HD2y 1.0 1.8 5.0 2823 1903 B 43 VAL HA B 43 VAL HG11 1.0 1.8 5.0 2824 1904 B 43 VAL HA B 43 VAL HG21 1.0 1.8 5.0 2825 1905 B 43 VAL H B 43 VAL HB 1.0 1.8 5.0 2826 1906 B 43 VAL H B 43 VAL HG11 1.0 1.8 5.0 2827 1907 B 43 VAL H B 43 VAL HG21 1.0 1.8 5.0 2828 1908 B 44 SER H B 44 SER HBx 1.0 1.8 5.0 2829 1908 B 44 SER H B 44 SER HBy 1.0 1.8 5.0 2830 1909 B 45 GLN HBx B 45 GLN HE2y 1.0 1.8 5.0 2831 1909 B 45 GLN HBy B 45 GLN HE2y 1.0 1.8 5.0 2832 1909 B 45 GLN HE2x B 45 GLN HBx 1.0 1.8 5.0 2833 1909 B 45 GLN HBy B 45 GLN HE2x 1.0 1.8 5.0 2834 1910 B 45 GLN H B 45 GLN HGx 1.0 1.8 5.0 2835 1910 B 45 GLN H B 45 GLN HGy 1.0 1.8 5.0 2836 1911 B 49 GLN HA B 49 GLN HGx 1.0 1.8 5.0 2837 1911 B 49 GLN HGy B 49 GLN HA 1.0 1.8 5.0 2838 1912 B 49 GLN H B 49 GLN HBx 1.0 1.8 5.0 2839 1912 B 49 GLN H B 49 GLN HBy 1.0 1.8 5.0 2840 1913 B 49 GLN H B 49 GLN HGx 1.0 1.8 5.0 2841 1913 B 49 GLN H B 49 GLN HGy 1.0 1.8 5.0 2842 1914 B 50 ILE HA B 50 ILE HD11 1.0 1.8 5.0 2843 1915 B 50 ILE HA B 50 ILE HG21 1.0 1.8 5.0 2844 1916 B 50 ILE HB B 50 ILE HD11 1.0 1.8 5.0 2845 1917 B 50 ILE HG21 B 50 ILE HG1x 1.0 1.8 5.0 2846 1917 B 50 ILE HG1y B 50 ILE HG21 1.0 1.8 5.0 2847 1918 B 50 ILE H B 50 ILE HB 1.0 1.8 5.0 2848 1919 B 50 ILE H B 50 ILE HD11 1.0 1.8 5.0 2849 1920 B 50 ILE H B 50 ILE HG1x 1.0 1.8 5.0 2850 1920 B 50 ILE H B 50 ILE HG1y 1.0 1.8 5.0 2851 1921 B 50 ILE H B 50 ILE HG21 1.0 1.8 5.0 2852 1922 B 56 LEU HA B 56 LEU HD11 1.0 1.8 5.0 2853 1923 B 56 LEU HA B 56 LEU HD21 1.0 1.8 5.0 2854 1924 B 56 LEU HD21 B 56 LEU HBx 1.0 1.8 5.0 2855 1924 B 56 LEU HBy B 56 LEU HD21 1.0 1.8 5.0 2856 1925 B 56 LEU H B 56 LEU HBx 1.0 1.8 5.0 2857 1925 B 56 LEU H B 56 LEU HBy 1.0 1.8 5.0 2858 1926 B 56 LEU H B 56 LEU HD11 1.0 1.8 5.0 2859 1927 B 56 LEU H B 56 LEU HD21 1.0 1.8 5.0 2860 1928 B 56 LEU H B 56 LEU HG 1.0 1.8 5.0 2861 1929 B 57 ARG HA B 57 ARG HDx 1.0 1.8 5.0 2862 1929 B 57 ARG HA B 57 ARG HDy 1.0 1.8 5.0 2863 1930 B 57 ARG H B 57 ARG HBx 1.0 1.8 5.0 2864 1930 B 57 ARG H B 57 ARG HBy 1.0 1.8 5.0 2865 1931 B 57 ARG H B 57 ARG HDx 1.0 1.8 5.0 2866 1931 B 57 ARG H B 57 ARG HDy 1.0 1.8 5.0 2867 1932 B 57 ARG H B 57 ARG HGx 1.0 1.8 5.0 2868 1932 B 57 ARG H B 57 ARG HGy 1.0 1.8 5.0 2869 1933 B 58 GLU HA B 58 GLU HGx 1.0 1.8 5.0 2870 1933 B 58 GLU HA B 58 GLU HGy 1.0 1.8 5.0 2871 1934 B 58 GLU H B 58 GLU HBx 1.0 1.8 5.0 2872 1934 B 58 GLU H B 58 GLU HBy 1.0 1.8 5.0 2873 1935 B 58 GLU H B 58 GLU HGx 1.0 1.8 5.0 2874 1935 B 58 GLU H B 58 GLU HGy 1.0 1.8 5.0 2875 1936 B 59 LYS HA B 59 LYS HDx 1.0 1.8 5.0 2876 1936 B 59 LYS HA B 59 LYS HDy 1.0 1.8 5.0 2877 1937 B 59 LYS HA B 59 LYS HEx 1.0 1.8 5.0 2878 1937 B 59 LYS HA B 59 LYS HEy 1.0 1.8 5.0 2879 1938 B 59 LYS HBx B 59 LYS HEx 1.0 1.8 5.0 2880 1938 B 59 LYS HBy B 59 LYS HEx 1.0 1.8 5.0 2881 1938 B 59 LYS HEy B 59 LYS HBx 1.0 1.8 5.0 2882 1938 B 59 LYS HBy B 59 LYS HEy 1.0 1.8 5.0 2883 1939 B 59 LYS H B 59 LYS HBx 1.0 1.8 5.0 2884 1939 B 59 LYS H B 59 LYS HBy 1.0 1.8 5.0 2885 1940 B 59 LYS H B 59 LYS HDx 1.0 1.8 5.0 2886 1940 B 59 LYS H B 59 LYS HDy 1.0 1.8 5.0 2887 1941 B 59 LYS H B 59 LYS HEx 1.0 1.8 5.0 2888 1941 B 59 LYS H B 59 LYS HEy 1.0 1.8 5.0 2889 1942 B 59 LYS H B 59 LYS HGx 1.0 1.8 5.0 2890 1942 B 59 LYS H B 59 LYS HGy 1.0 1.8 5.0 2891 1943 B 60 LEU HA B 60 LEU HD21 1.0 1.8 3.5 2892 1944 B 60 LEU HD21 B 60 LEU HBx 1.0 1.8 5.0 2893 1944 B 60 LEU HBy B 60 LEU HD21 1.0 1.8 5.0 2894 1945 B 60 LEU H B 60 LEU HBx 1.0 1.8 5.0 2895 1945 B 60 LEU H B 60 LEU HBy 1.0 1.8 5.0 2896 1946 B 60 LEU H B 60 LEU HD11 1.0 1.8 5.0 2897 1947 B 60 LEU H B 60 LEU HD21 1.0 1.8 3.5 2898 1948 B 60 LEU H B 60 LEU HG 1.0 1.8 5.0 2899 1949 B 61 SER H B 61 SER HBx 1.0 1.8 5.0 2900 1949 B 61 SER H B 61 SER HBy 1.0 1.8 5.0 2901 1950 B 62 GLU HA B 62 GLU HGx 1.0 1.8 5.0 2902 1950 B 62 GLU HA B 62 GLU HGy 1.0 1.8 5.0 2903 1951 B 62 GLU H B 62 GLU HBx 1.0 1.8 5.0 2904 1951 B 62 GLU H B 62 GLU HBy 1.0 1.8 5.0 2905 1952 B 62 GLU H B 62 GLU HGx 1.0 1.8 5.0 2906 1952 B 62 GLU H B 62 GLU HGy 1.0 1.8 5.0 2907 1953 B 63 LEU HA B 63 LEU HD11 1.0 1.8 5.0 2908 1954 B 63 LEU HA B 63 LEU HD21 1.0 1.8 5.0 2909 1955 B 63 LEU HD11 B 63 LEU HBx 1.0 1.8 5.0 2910 1955 B 63 LEU HBy B 63 LEU HD11 1.0 1.8 5.0 2911 1956 B 63 LEU HD21 B 63 LEU HBx 1.0 1.8 5.0 2912 1956 B 63 LEU HBy B 63 LEU HD21 1.0 1.8 5.0 2913 1957 B 63 LEU HD11 B 63 LEU HBx 1.0 1.8 5.0 2914 1957 B 63 LEU HBy B 63 LEU HD11 1.0 1.8 5.0 2915 1958 B 63 LEU H B 63 LEU HBx 1.0 1.8 5.0 2916 1958 B 63 LEU H B 63 LEU HBy 1.0 1.8 5.0 2917 1959 B 63 LEU H B 63 LEU HD11 1.0 1.8 5.0 2918 1960 B 63 LEU H B 63 LEU HD21 1.0 1.8 5.0 2919 1961 B 63 LEU H B 63 LEU HG 1.0 1.8 5.0 2920 1962 B 64 ALA H B 64 ALA HB1 1.0 1.8 5.0 2921 1963 B 65 ASP H B 65 ASP HBx 1.0 1.8 5.0 2922 1963 B 65 ASP H B 65 ASP HBy 1.0 1.8 5.0 2923 1964 B 66 ALA H B 66 ALA HB1 1.0 1.8 5.0 2924 1965 B 67 LYS HA B 67 LYS HDx 1.0 1.8 5.0 2925 1965 B 67 LYS HDy B 67 LYS HA 1.0 1.8 5.0 2926 1966 B 67 LYS HA B 67 LYS HEx 1.0 1.8 5.0 2927 1966 B 67 LYS HEy B 67 LYS HA 1.0 1.8 5.0 2928 1967 B 67 LYS HBy B 67 LYS HEx 1.0 1.8 5.0 2929 1967 B 67 LYS HBx B 67 LYS HEx 1.0 1.8 5.0 2930 1967 B 67 LYS HEy B 67 LYS HBx 1.0 1.8 5.0 2931 1967 B 67 LYS HBy B 67 LYS HEy 1.0 1.8 5.0 2932 1968 B 67 LYS H B 67 LYS HBx 1.0 1.8 5.0 2933 1968 B 67 LYS H B 67 LYS HBy 1.0 1.8 5.0 2934 1969 B 67 LYS H B 67 LYS HDx 1.0 1.8 5.0 2935 1969 B 67 LYS H B 67 LYS HDy 1.0 1.8 5.0 2936 1970 B 67 LYS H B 67 LYS HEx 1.0 1.8 5.0 2937 1970 B 67 LYS H B 67 LYS HEy 1.0 1.8 5.0 2938 1971 B 67 LYS H B 67 LYS HGx 1.0 1.8 5.0 2939 1971 B 67 LYS H B 67 LYS HGy 1.0 1.8 5.0 2940 1972 B 70 LYS HA B 70 LYS HDx 1.0 1.8 5.0 2941 1972 B 70 LYS HA B 70 LYS HDy 1.0 1.8 5.0 2942 1973 B 70 LYS HA B 70 LYS HEx 1.0 1.8 5.0 2943 1973 B 70 LYS HA B 70 LYS HEy 1.0 1.8 5.0 2944 1974 B 70 LYS HA B 70 LYS HGx 1.0 1.8 5.0 2945 1974 B 70 LYS HGy B 70 LYS HA 1.0 1.8 5.0 2946 1975 B 70 LYS HBy B 70 LYS HEx 1.0 1.8 5.0 2947 1975 B 70 LYS HBx B 70 LYS HEx 1.0 1.8 5.0 2948 1975 B 70 LYS HEy B 70 LYS HBx 1.0 1.8 5.0 2949 1975 B 70 LYS HBy B 70 LYS HEy 1.0 1.8 5.0 2950 1976 B 70 LYS H B 70 LYS HBx 1.0 1.8 5.0 2951 1976 B 70 LYS H B 70 LYS HBy 1.0 1.8 5.0 2952 1977 B 70 LYS H B 70 LYS HDx 1.0 1.8 5.0 2953 1977 B 70 LYS H B 70 LYS HDy 1.0 1.8 5.0 2954 1978 B 70 LYS H B 70 LYS HEx 1.0 1.8 5.0 2955 1978 B 70 LYS H B 70 LYS HEy 1.0 1.8 5.0 2956 1979 B 70 LYS H B 70 LYS HGx 1.0 1.8 5.0 2957 1979 B 70 LYS H B 70 LYS HGy 1.0 1.8 5.0 2958 1980 B 72 TYR HA B 72 TYR HD% 1.0 1.8 5.0 2959 1981 B 72 TYR H B 72 TYR HD% 1.0 1.8 5.0 2960 1982 B 74 ILE HA B 74 ILE HD11 1.0 1.8 5.0 2961 1983 B 74 ILE HA B 74 ILE HG21 1.0 1.8 5.0 2962 1984 B 74 ILE HB B 74 ILE HD11 1.0 1.8 5.0 2963 1985 B 74 ILE HD11 B 74 ILE HG21 1.0 1.8 5.0 2964 1986 B 74 ILE H B 74 ILE HB 1.0 1.8 5.0 2965 1987 B 74 ILE H B 74 ILE HD11 1.0 1.8 5.0 2966 1988 B 74 ILE H B 74 ILE HG1x 1.0 1.8 5.0 2967 1988 B 74 ILE H B 74 ILE HG1y 1.0 1.8 5.0 2968 1989 B 74 ILE H B 74 ILE HG21 1.0 1.8 5.0 2969 1990 B 75 ILE HB B 75 ILE HA 1.0 1.8 2.8 2970 1991 B 75 ILE HD11 B 75 ILE HA 1.0 1.8 5.0 2971 1992 B 75 ILE HG21 B 75 ILE HA 1.0 1.8 5.0 2972 1993 B 75 ILE HB B 75 ILE HD11 1.0 1.8 5.0 2973 1994 B 75 ILE H B 75 ILE HD11 1.0 1.8 5.0 2974 1995 B 75 ILE H B 75 ILE HG1x 1.0 1.8 5.0 2975 1995 B 75 ILE H B 75 ILE HG1y 1.0 1.8 5.0 2976 1996 B 75 ILE H B 75 ILE HG21 1.0 1.8 5.0 2977 1997 B 76 ALA H B 76 ALA HB1 1.0 1.8 5.0 2978 1998 B 77 ALA H B 77 ALA HB1 1.0 1.8 5.0 2979 1999 B 78 ARG HA B 78 ARG HDx 1.0 1.8 5.0 2980 1999 B 78 ARG HA B 78 ARG HDy 1.0 1.8 5.0 2981 2000 B 78 ARG HBx B 78 ARG HDx 1.0 1.8 5.0 2982 2000 B 78 ARG HBy B 78 ARG HDx 1.0 1.8 5.0 2983 2000 B 78 ARG HDy B 78 ARG HBx 1.0 1.8 5.0 2984 2000 B 78 ARG HBy B 78 ARG HDy 1.0 1.8 5.0 2985 2001 B 78 ARG H B 78 ARG HDx 1.0 1.8 5.0 2986 2001 B 78 ARG H B 78 ARG HDy 1.0 1.8 5.0 2987 2002 B 78 ARG H B 78 ARG HGx 1.0 1.8 5.0 2988 2002 B 78 ARG H B 78 ARG HGy 1.0 1.8 5.0 2989 2003 B 79 GLU HA B 79 GLU HGx 1.0 1.8 5.0 2990 2003 B 79 GLU HGy B 79 GLU HA 1.0 1.8 5.0 2991 2004 B 79 GLU H B 79 GLU HBx 1.0 1.8 5.0 2992 2004 B 79 GLU H B 79 GLU HBy 1.0 1.8 5.0 2993 2005 B 79 GLU H B 79 GLU HGx 1.0 1.8 5.0 2994 2005 B 79 GLU H B 79 GLU HGy 1.0 1.8 5.0 2995 2006 B 83 ASN HA B 83 ASN HD2x 1.0 1.8 5.0 2996 2006 B 83 ASN HA B 83 ASN HD2y 1.0 1.8 5.0 2997 2007 B 83 ASN H B 83 ASN HBx 1.0 1.8 5.0 2998 2007 B 83 ASN H B 83 ASN HBy 1.0 1.8 5.0 2999 2008 B 83 ASN H B 83 ASN HD2x 1.0 1.8 5.0 3000 2008 B 83 ASN H B 83 ASN HD2y 1.0 1.8 5.0 3001 2009 B 84 PHE HA B 84 PHE HD% 1.0 1.8 5.0 3002 2010 B 84 PHE HD% B 84 PHE HZ 1.0 1.8 5.0 3003 2011 B 84 PHE H B 84 PHE HD% 1.0 1.8 5.0 3004 2012 B 85 GLU HA B 85 GLU HGx 1.0 1.8 5.0 3005 2012 B 85 GLU HA B 85 GLU HGy 1.0 1.8 5.0 3006 2013 B 85 GLU H B 85 GLU HGx 1.0 1.8 5.0 3007 2013 B 85 GLU H B 85 GLU HGy 1.0 1.8 5.0 3008 2014 B 86 ALA H B 86 ALA HB1 1.0 1.8 5.0 3009 2015 B 87 VAL HA B 87 VAL HG11 1.0 1.8 5.0 3010 2016 B 87 VAL HA B 87 VAL HG21 1.0 1.8 5.0 3011 2017 B 87 VAL H B 87 VAL HB 1.0 1.8 5.0 3012 2018 B 87 VAL H B 87 VAL HG11 1.0 1.8 5.0 3013 2019 B 87 VAL H B 87 VAL HG21 1.0 1.8 5.0 3014 2020 B 88 ALA H B 88 ALA HB1 1.0 1.8 5.0 3015 2021 B 89 GLU H B 89 GLU HGx 1.0 1.8 5.0 3016 2021 B 89 GLU H B 89 GLU HGy 1.0 1.8 5.0 3017 2022 B 90 VAL HG11 B 90 VAL HA 1.0 1.8 5.0 3018 2023 B 90 VAL HG21 B 90 VAL HA 1.0 1.8 5.0 3019 2024 B 90 VAL H B 90 VAL HB 1.0 1.8 5.0 3020 2025 B 90 VAL H B 90 VAL HG11 1.0 1.8 5.0 3021 2026 B 90 VAL H B 90 VAL HG21 1.0 1.8 4.0 3022 2027 B 91 TYR HD% B 91 TYR HA 1.0 1.8 5.0 3023 2028 B 91 TYR H B 91 TYR HD% 1.0 1.8 5.0 3024 2029 B 92 ASN HA B 92 ASN HD2x 1.0 1.8 5.0 3025 2029 B 92 ASN HA B 92 ASN HD2y 1.0 1.8 5.0 3026 2030 B 92 ASN HBx B 92 ASN HD2x 1.0 1.8 5.0 3027 2030 B 92 ASN HBy B 92 ASN HD2x 1.0 1.8 5.0 3028 2030 B 92 ASN HD2y B 92 ASN HBx 1.0 1.8 5.0 3029 2030 B 92 ASN HBy B 92 ASN HD2y 1.0 1.8 5.0 3030 2031 B 92 ASN H B 92 ASN HD2x 1.0 1.8 5.0 3031 2031 B 92 ASN H B 92 ASN HD2y 1.0 1.8 5.0 3032 2032 B 93 ASP H B 93 ASP HBx 1.0 1.8 5.0 3033 2032 B 93 ASP H B 93 ASP HBy 1.0 1.8 5.0 3034 2033 B 94 ALA H B 94 ALA HB1 1.0 1.8 5.0 3035 2034 B 95 THR HG21 B 95 THR HA 1.0 1.8 5.0 3036 2035 B 95 THR H B 95 THR HB 1.0 1.8 5.0 3037 2036 B 95 THR H B 95 THR HG21 1.0 1.8 5.0 3038 2037 B 96 LYS HA B 96 LYS HDx 1.0 1.8 5.0 3039 2037 B 96 LYS HA B 96 LYS HDy 1.0 1.8 5.0 3040 2038 B 96 LYS HBx B 96 LYS HEx 1.0 1.8 5.0 3041 2038 B 96 LYS HBy B 96 LYS HEx 1.0 1.8 5.0 3042 2038 B 96 LYS HEy B 96 LYS HBx 1.0 1.8 5.0 3043 2038 B 96 LYS HBy B 96 LYS HEy 1.0 1.8 5.0 3044 2039 B 96 LYS HBx B 96 LYS HEx 1.0 1.8 5.0 3045 2039 B 96 LYS HBy B 96 LYS HEx 1.0 1.8 5.0 3046 2039 B 96 LYS HEy B 96 LYS HBx 1.0 1.8 5.0 3047 2039 B 96 LYS HBy B 96 LYS HEy 1.0 1.8 5.0 3048 2040 B 96 LYS H B 96 LYS HBx 1.0 1.8 5.0 3049 2040 B 96 LYS H B 96 LYS HBy 1.0 1.8 5.0 3050 2041 B 96 LYS H B 96 LYS HDx 1.0 1.8 5.0 3051 2041 B 96 LYS H B 96 LYS HDy 1.0 1.8 5.0 3052 2042 B 96 LYS H B 96 LYS HGx 1.0 1.8 5.0 3053 2042 B 96 LYS H B 96 LYS HGy 1.0 1.8 5.0 3054 2043 B 25 VAL HA A 24 GLN HE2x 1.0 1.8 5.0 3055 2043 A 24 GLN HE2y B 25 VAL HA 1.0 1.8 5.0 3056 2044 A 25 VAL HG1% B 53 PRO HGx 1.0 1.8 5.0 3057 2044 A 25 VAL HG1% B 53 PRO HGy 1.0 1.8 5.0 3058 2045 B 76 ALA HA A 28 GLN HG2 1.0 1.8 5.0 3059 2045 B 76 ALA HA A 28 GLN HG3 1.0 1.8 5.0 3060 2046 B 77 ALA HB1 A 28 GLN HBy 1.0 1.8 5.0 3061 2046 B 77 ALA HB1 A 28 GLN HBx 1.0 1.8 5.0 3062 2047 B 77 ALA HB1 A 28 GLN HG2 1.0 1.8 5.0 3063 2047 B 77 ALA HB1 A 28 GLN HG3 1.0 1.8 5.0 3064 2048 B 77 ALA H A 28 GLN HG2 1.0 1.8 5.0 3065 2048 B 77 ALA H A 28 GLN HG3 1.0 1.8 5.0 3066 2049 B 74 ILE HG21 A 28 GLN HBy 1.0 1.8 5.0 3067 2049 B 74 ILE HG21 A 28 GLN HBx 1.0 1.8 5.0 3068 2050 B 74 ILE HG21 A 28 GLN HG2 1.0 1.8 5.0 3069 2050 B 74 ILE HG21 A 28 GLN HG3 1.0 1.8 5.0 3070 2051 B 75 ILE HA A 28 GLN HE2x 1.0 1.8 5.0 3071 2051 B 75 ILE HA A 28 GLN HE2y 1.0 1.8 5.0 3072 2052 B 56 LEU HD21 A 29 GLU HGy 1.0 1.8 5.0 3073 2052 B 56 LEU HD21 A 29 GLU HGx 1.0 1.8 5.0 3074 2053 A 32 HIS HE1 B 79 GLU HGx 1.0 1.8 5.0 3075 2053 B 79 GLU HGy A 32 HIS HE1 1.0 1.8 5.0 3076 2054 B 84 PHE HD% A 32 HIS HE1 1.0 1.8 5.0 3077 2055 B 56 LEU HD21 A 33 PHE HE% 1.0 1.8 5.0 3078 2056 B 56 LEU HD21 A 33 PHE HZ 1.0 1.8 5.0 3079 2057 B 50 ILE HG21 A 33 PHE HE% 1.0 1.8 5.0 3080 2058 B 50 ILE HG21 A 33 PHE HZ 1.0 1.8 5.0 3081 2059 A 33 PHE HD% B 53 PRO HGx 1.0 1.8 5.0 3082 2059 A 33 PHE HD% B 53 PRO HGy 1.0 1.8 5.0 3083 2060 A 25 VAL HA B 24 GLN HE2y 1.0 1.8 5.0 3084 2060 B 24 GLN HE2x A 25 VAL HA 1.0 1.8 5.0 3085 2061 B 25 VAL HG11 A 53 PRO HGy 1.0 1.8 5.0 3086 2061 B 25 VAL HG11 A 53 PRO HGx 1.0 1.8 5.0 3087 2062 A 76 ALA HA B 28 GLN HGx 1.0 1.8 5.0 3088 2062 A 76 ALA HA B 28 GLN HGy 1.0 1.8 5.0 3089 2063 A 77 ALA HB% B 28 GLN HBx 1.0 1.8 5.0 3090 2063 A 77 ALA HB% B 28 GLN HBy 1.0 1.8 5.0 3091 2064 A 77 ALA HB% B 28 GLN HGx 1.0 1.8 5.0 3092 2064 A 77 ALA HB% B 28 GLN HGy 1.0 1.8 5.0 3093 2065 A 77 ALA H B 28 GLN HGx 1.0 1.8 5.0 3094 2065 A 77 ALA H B 28 GLN HGy 1.0 1.8 5.0 3095 2066 A 74 ILE HG2% B 28 GLN HBx 1.0 1.8 5.0 3096 2066 A 74 ILE HG2% B 28 GLN HBy 1.0 1.8 5.0 3097 2067 A 74 ILE HG2% B 28 GLN HGx 1.0 1.8 5.0 3098 2067 A 74 ILE HG2% B 28 GLN HGy 1.0 1.8 5.0 3099 2068 A 75 ILE HA B 28 GLN HE2y 1.0 1.8 5.0 3100 2068 A 75 ILE HA B 28 GLN HE2x 1.0 1.8 5.0 3101 2069 A 56 LEU HD2% B 29 GLU HGx 1.0 1.8 5.0 3102 2069 A 56 LEU HD2% B 29 GLU HGy 1.0 1.8 5.0 3103 2070 B 32 HIS HE1 A 79 GLU HG2 1.0 1.8 5.0 3104 2070 A 79 GLU HG3 B 32 HIS HE1 1.0 1.8 5.0 3105 2071 A 84 PHE HD% B 32 HIS HE1 1.0 1.8 5.0 3106 2072 A 56 LEU HD2% B 33 PHE HE% 1.0 1.8 5.0 3107 2073 A 56 LEU HD2% B 33 PHE HZ 1.0 1.8 5.0 3108 2074 A 50 ILE HG2% B 33 PHE HE% 1.0 1.8 5.0 3109 2075 A 50 ILE HG2% B 33 PHE HZ 1.0 1.8 5.0 3110 2076 B 33 PHE HD% A 53 PRO HGy 1.0 1.8 5.0 3111 2076 B 33 PHE HD% A 53 PRO HGx 1.0 1.8 5.0 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 23 GLU H A 70 LYS O 1.0 1.6 2.3 2 2 A 70 LYS O A 23 GLU N 1.0 2.6 3.3 3 3 A 25 VAL H A 72 TYR O 1.0 1.6 2.3 4 4 A 72 TYR O A 25 VAL N 1.0 2.6 3.3 5 5 A 26 SER H A 29 GLU OE1 1.0 1.6 2.3 6 6 A 29 GLU OE1 A 26 SER N 1.0 2.6 3.3 7 7 A 29 GLU H A 26 SER O 1.0 1.6 2.3 8 8 A 26 SER O A 29 GLU N 1.0 2.6 3.3 9 9 A 30 ILE H A 26 SER O 1.0 1.6 2.3 10 10 A 26 SER O A 30 ILE N 1.0 2.6 3.3 11 11 A 33 PHE H A 29 GLU O 1.0 1.6 2.3 12 12 A 29 GLU O A 33 PHE N 1.0 2.6 3.3 13 13 A 34 LYS H A 30 ILE O 1.0 1.6 2.3 14 14 A 30 ILE O A 34 LYS N 1.0 2.6 3.3 15 15 A 35 LEU H A 30 ILE O 1.0 1.6 2.3 16 16 A 30 ILE O A 35 LEU N 1.0 2.6 3.3 17 17 A 36 VAL H A 92 ASN O 1.0 1.6 2.3 18 18 A 92 ASN O A 36 VAL N 1.0 2.6 3.3 19 19 A 38 VAL H A 90 VAL O 1.0 1.6 2.3 20 20 A 90 VAL O A 38 VAL N 1.0 2.6 3.3 21 21 A 41 ILE H A 88 ALA O 1.0 1.6 2.3 22 22 A 88 ALA O A 41 ILE N 1.0 2.6 3.3 23 23 A 43 VAL H A 86 ALA O 1.0 1.6 2.3 24 24 A 86 ALA O A 43 VAL N 1.0 2.6 3.3 25 25 A 56 LEU H A 52 SER O 1.0 1.6 2.3 26 26 A 52 SER O A 56 LEU N 1.0 2.6 3.3 27 27 A 57 ARG H A 53 PRO O 1.0 1.6 2.3 28 28 A 53 PRO O A 57 ARG N 1.0 2.6 3.3 29 29 A 59 LYS H A 55 ASP O 1.0 1.6 2.3 30 30 A 55 ASP O A 59 LYS N 1.0 2.6 3.3 31 31 A 60 LEU H A 56 LEU O 1.0 1.6 2.3 32 32 A 56 LEU O A 60 LEU N 1.0 2.6 3.3 33 33 A 61 SER H A 57 ARG O 1.0 1.6 2.3 34 34 A 57 ARG O A 61 SER N 1.0 2.6 3.3 35 35 A 62 GLU H A 58 GLU O 1.0 1.6 2.3 36 36 A 58 GLU O A 62 GLU N 1.0 2.6 3.3 37 37 A 63 LEU H A 59 LYS O 1.0 1.6 2.3 38 38 A 59 LYS O A 63 LEU N 1.0 2.6 3.3 39 39 A 64 ALA H A 60 LEU O 1.0 1.6 2.3 40 40 A 60 LEU O A 64 ALA N 1.0 2.6 3.3 41 41 A 65 ASP H A 61 SER O 1.0 1.6 2.3 42 42 A 61 SER O A 65 ASP N 1.0 2.6 3.3 43 43 A 66 ALA H A 62 GLU O 1.0 1.6 2.3 44 44 A 62 GLU O A 66 ALA N 1.0 2.6 3.3 45 45 A 67 LYS H A 63 LEU O 1.0 1.6 2.3 46 46 A 63 LEU O A 67 LYS N 1.0 2.6 3.3 47 47 A 69 GLY H A 64 ALA O 1.0 1.6 2.3 48 48 A 64 ALA O A 69 GLY N 1.0 2.6 3.3 49 49 A 71 TYR H A 91 TYR O 1.0 1.6 2.3 50 50 A 91 TYR O A 71 TYR N 1.0 2.6 3.3 51 51 A 72 TYR H A 23 GLU O 1.0 1.6 2.3 52 52 A 23 GLU O A 72 TYR N 1.0 2.6 3.3 53 53 A 73 HIS H A 89 GLU O 1.0 1.6 2.3 54 54 A 89 GLU O A 73 HIS N 1.0 2.6 3.3 55 55 A 75 ILE H A 87 VAL O 1.0 1.6 2.3 56 56 A 87 VAL O A 75 ILE N 1.0 2.6 3.3 57 57 A 76 ALA H A 87 VAL O 1.0 1.6 2.3 58 58 A 87 VAL O A 76 ALA N 1.0 2.6 3.3 59 59 A 83 ASN H A 80 HIS O 1.0 1.6 2.3 60 60 A 80 HIS O A 83 ASN N 1.0 2.6 3.3 61 61 A 85 GLU H A 78 ARG O 1.0 1.6 2.3 62 62 A 78 ARG O A 85 GLU N 1.0 2.6 3.3 63 63 A 86 ALA H A 43 VAL O 1.0 1.6 2.3 64 64 A 43 VAL O A 86 ALA N 1.0 2.6 3.3 65 65 A 87 VAL H A 76 ALA O 1.0 1.6 2.3 66 66 A 76 ALA O A 87 VAL N 1.0 2.6 3.3 67 67 A 88 ALA H A 41 ILE O 1.0 1.6 2.3 68 68 A 41 ILE O A 88 ALA N 1.0 2.6 3.3 69 69 A 89 GLU H A 73 HIS O 1.0 1.6 2.3 70 70 A 73 HIS O A 89 GLU N 1.0 2.6 3.3 71 71 A 90 VAL H A 39 GLY O 1.0 1.6 2.3 72 72 A 39 GLY O A 90 VAL N 1.0 2.6 3.3 73 73 A 91 TYR H A 71 TYR O 1.0 1.6 2.3 74 74 A 71 TYR O A 91 TYR N 1.0 2.6 3.3 75 75 A 92 ASN H A 36 VAL O 1.0 1.6 2.3 76 76 A 36 VAL O A 92 ASN N 1.0 2.6 3.3 77 77 B 23 GLU H B 70 LYS O 1.0 1.6 2.3 78 78 B 70 LYS O B 23 GLU N 1.0 2.6 3.3 79 79 B 25 VAL H B 72 TYR O 1.0 1.6 2.3 80 80 B 72 TYR O B 25 VAL N 1.0 2.6 3.3 81 81 B 26 SER H B 29 GLU OE1 1.0 1.6 2.3 82 82 B 29 GLU OE1 B 26 SER N 1.0 2.6 3.3 83 83 B 29 GLU H B 26 SER O 1.0 1.6 2.3 84 84 B 26 SER O B 29 GLU N 1.0 2.6 3.3 85 85 B 30 ILE H B 26 SER O 1.0 1.6 2.3 86 86 B 26 SER O B 30 ILE N 1.0 2.6 3.3 87 87 B 33 PHE H B 29 GLU O 1.0 1.6 2.3 88 88 B 29 GLU O B 33 PHE N 1.0 2.6 3.3 89 89 B 34 LYS H B 30 ILE O 1.0 1.6 2.3 90 90 B 30 ILE O B 34 LYS N 1.0 2.6 3.3 91 91 B 35 LEU H B 30 ILE O 1.0 1.6 2.3 92 92 B 30 ILE O B 35 LEU N 1.0 2.6 3.3 93 93 B 36 VAL H B 92 ASN O 1.0 1.6 2.3 94 94 B 92 ASN O B 36 VAL N 1.0 2.6 3.3 95 95 B 38 VAL H B 90 VAL O 1.0 1.6 2.3 96 96 B 90 VAL O B 38 VAL N 1.0 2.6 3.3 97 97 B 41 ILE H B 88 ALA O 1.0 1.6 2.3 98 98 B 88 ALA O B 41 ILE N 1.0 2.6 3.3 99 99 B 43 VAL H B 86 ALA O 1.0 1.6 2.3 100 100 B 86 ALA O B 43 VAL N 1.0 2.6 3.3 101 101 B 56 LEU H B 52 SER O 1.0 1.6 2.3 102 102 B 52 SER O B 56 LEU N 1.0 2.6 3.3 103 103 B 57 ARG H B 53 PRO O 1.0 1.6 2.3 104 104 B 53 PRO O B 57 ARG N 1.0 2.6 3.3 105 105 B 59 LYS H B 55 ASP O 1.0 1.6 2.3 106 106 B 55 ASP O B 59 LYS N 1.0 2.6 3.3 107 107 B 60 LEU H B 56 LEU O 1.0 1.6 2.3 108 108 B 56 LEU O B 60 LEU N 1.0 2.6 3.3 109 109 B 61 SER H B 57 ARG O 1.0 1.6 2.3 110 110 B 57 ARG O B 61 SER N 1.0 2.6 3.3 111 111 B 62 GLU H B 58 GLU O 1.0 1.6 2.3 112 112 B 58 GLU O B 62 GLU N 1.0 2.6 3.3 113 113 B 63 LEU H B 59 LYS O 1.0 1.6 2.3 114 114 B 59 LYS O B 63 LEU N 1.0 2.6 3.3 115 115 B 64 ALA H B 60 LEU O 1.0 1.6 2.3 116 116 B 60 LEU O B 64 ALA N 1.0 2.6 3.3 117 117 B 65 ASP H B 61 SER O 1.0 1.6 2.3 118 118 B 61 SER O B 65 ASP N 1.0 2.6 3.3 119 119 B 66 ALA H B 62 GLU O 1.0 1.6 2.3 120 120 B 62 GLU O B 66 ALA N 1.0 2.6 3.3 121 121 B 67 LYS H B 63 LEU O 1.0 1.6 2.3 122 122 B 63 LEU O B 67 LYS N 1.0 2.6 3.3 123 123 B 69 GLY H B 64 ALA O 1.0 1.6 2.3 124 124 B 64 ALA O B 69 GLY N 1.0 2.6 3.3 125 125 B 71 TYR H B 91 TYR O 1.0 1.6 2.3 126 126 B 91 TYR O B 71 TYR N 1.0 2.6 3.3 127 127 B 72 TYR H B 23 GLU O 1.0 1.6 2.3 128 128 B 23 GLU O B 72 TYR N 1.0 2.6 3.3 129 129 B 73 HIS H B 89 GLU O 1.0 1.6 2.3 130 130 B 89 GLU O B 73 HIS N 1.0 2.6 3.3 131 131 B 75 ILE H B 87 VAL O 1.0 1.6 2.3 132 132 B 87 VAL O B 75 ILE N 1.0 2.6 3.3 133 133 B 76 ALA H B 87 VAL O 1.0 1.6 2.3 134 134 B 87 VAL O B 76 ALA N 1.0 2.6 3.3 135 135 B 83 ASN H B 80 HIS O 1.0 1.6 2.3 136 136 B 80 HIS O B 83 ASN N 1.0 2.6 3.3 137 137 B 85 GLU H B 78 ARG O 1.0 1.6 2.3 138 138 B 78 ARG O B 85 GLU N 1.0 2.6 3.3 139 139 B 86 ALA H B 43 VAL O 1.0 1.6 2.3 140 140 B 43 VAL O B 86 ALA N 1.0 2.6 3.3 141 141 B 87 VAL H B 76 ALA O 1.0 1.6 2.3 142 142 B 76 ALA O B 87 VAL N 1.0 2.6 3.3 143 143 B 88 ALA H B 41 ILE O 1.0 1.6 2.3 144 144 B 41 ILE O B 88 ALA N 1.0 2.6 3.3 145 145 B 89 GLU H B 73 HIS O 1.0 1.6 2.3 146 146 B 73 HIS O B 89 GLU N 1.0 2.6 3.3 147 147 B 90 VAL H B 39 GLY O 1.0 1.6 2.3 148 148 B 39 GLY O B 90 VAL N 1.0 2.6 3.3 149 149 B 91 TYR H B 71 TYR O 1.0 1.6 2.3 150 150 B 71 TYR O B 91 TYR N 1.0 2.6 3.3 151 151 B 92 ASN H B 36 VAL O 1.0 1.6 2.3 152 152 B 36 VAL O B 92 ASN N 1.0 2.6 3.3 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 22 ALA N A 22 ALA CA A 22 ALA C A 23 GLU N 1.0 114.88 194.88 PSI 2 2 A 22 ALA C A 23 GLU N A 23 GLU CA A 23 GLU C 1.0 -157.55 -97.55 PHI 3 3 A 23 GLU N A 23 GLU CA A 23 GLU C A 24 GLN N 1.0 108.42 188.42 PSI 4 4 A 24 GLN C A 25 VAL N A 25 VAL CA A 25 VAL C 1.0 -155.51 -95.51 PHI 5 5 A 25 VAL N A 25 VAL CA A 25 VAL C A 26 SER N 1.0 110.68 190.68 PSI 6 6 A 25 VAL C A 26 SER N A 26 SER CA A 26 SER C 1.0 -117.93 -57.93 PHI 7 7 A 26 SER N A 26 SER CA A 26 SER C A 27 LYS N 1.0 118.61 198.61 PSI 8 8 A 26 SER C A 27 LYS N A 27 LYS CA A 27 LYS C 1.0 -89.88 -29.88 PHI 9 9 A 27 LYS N A 27 LYS CA A 27 LYS C A 28 GLN N 1.0 -75.74 4.26 PSI 10 10 A 27 LYS C A 28 GLN N A 28 GLN CA A 28 GLN C 1.0 -92.37 -32.37 PHI 11 11 A 28 GLN N A 28 GLN CA A 28 GLN C A 29 GLU N 1.0 -79.63 0.37 PSI 12 12 A 28 GLN C A 29 GLU N A 29 GLU CA A 29 GLU C 1.0 -95.85 -35.85 PHI 13 13 A 29 GLU N A 29 GLU CA A 29 GLU C A 30 ILE N 1.0 -83.54 -3.54 PSI 14 14 A 29 GLU C A 30 ILE N A 30 ILE CA A 30 ILE C 1.0 -94.40 -34.40 PHI 15 15 A 30 ILE N A 30 ILE CA A 30 ILE C A 31 SER N 1.0 -83.42 -3.42 PSI 16 16 A 30 ILE C A 31 SER N A 31 SER CA A 31 SER C 1.0 -91.46 -31.46 PHI 17 17 A 31 SER N A 31 SER CA A 31 SER C A 32 HIS N 1.0 -79.03 0.97 PSI 18 18 A 31 SER C A 32 HIS N A 32 HIS CA A 32 HIS C 1.0 -95.15 -35.15 PHI 19 19 A 32 HIS N A 32 HIS CA A 32 HIS C A 33 PHE N 1.0 -79.03 0.97 PSI 20 20 A 32 HIS C A 33 PHE N A 33 PHE CA A 33 PHE C 1.0 -116.05 -56.05 PHI 21 21 A 33 PHE N A 33 PHE CA A 33 PHE C A 34 LYS N 1.0 -36.35 43.65 PSI 22 22 A 35 LEU C A 36 VAL N A 36 VAL CA A 36 VAL C 1.0 -130.28 -70.28 PHI 23 23 A 36 VAL N A 36 VAL CA A 36 VAL C A 37 LYS N 1.0 93.50 173.50 PSI 24 24 A 38 VAL C A 39 GLY N A 39 GLY CA A 39 GLY C 1.0 -198.77 -138.77 PHI 25 25 A 39 GLY N A 39 GLY CA A 39 GLY C A 40 THR N 1.0 121.84 201.84 PSI 26 26 A 39 GLY C A 40 THR N A 40 THR CA A 40 THR C 1.0 -142.15 -82.15 PHI 27 27 A 40 THR N A 40 THR CA A 40 THR C A 41 ILE N 1.0 102.93 182.93 PSI 28 28 A 41 ILE C A 42 ASN N A 42 ASN CA A 42 ASN C 1.0 -158.92 -98.92 PHI 29 29 A 42 ASN N A 42 ASN CA A 42 ASN C A 43 VAL N 1.0 98.99 178.99 PSI 30 30 A 42 ASN C A 43 VAL N A 43 VAL CA A 43 VAL C 1.0 -161.55 -101.55 PHI 31 31 A 43 VAL N A 43 VAL CA A 43 VAL C A 44 SER N 1.0 100.93 180.93 PSI 32 32 A 43 VAL C A 44 SER N A 44 SER CA A 44 SER C 1.0 -132.07 -72.07 PHI 33 33 A 44 SER N A 44 SER CA A 44 SER C A 45 GLN N 1.0 91.46 171.46 PSI 34 34 A 44 SER C A 45 GLN N A 45 GLN CA A 45 GLN C 1.0 -160.00 -100.00 PHI 35 35 A 45 GLN N A 45 GLN CA A 45 GLN C A 46 SER N 1.0 100.63 180.63 PSI 36 36 A 53 PRO C A 54 SER N A 54 SER CA A 54 SER C 1.0 -93.49 -33.49 PHI 37 37 A 54 SER N A 54 SER CA A 54 SER C A 55 ASP N 1.0 -81.61 -1.61 PSI 38 38 A 54 SER C A 55 ASP N A 55 ASP CA A 55 ASP C 1.0 -95.87 -35.87 PHI 39 39 A 55 ASP N A 55 ASP CA A 55 ASP C A 56 LEU N 1.0 -78.16 1.84 PSI 40 40 A 56 LEU C A 57 ARG N A 57 ARG CA A 57 ARG C 1.0 -91.63 -31.63 PHI 41 41 A 57 ARG N A 57 ARG CA A 57 ARG C A 58 GLU N 1.0 -79.75 0.25 PSI 42 42 A 57 ARG C A 58 GLU N A 58 GLU CA A 58 GLU C 1.0 -93.31 -33.31 PHI 43 43 A 58 GLU N A 58 GLU CA A 58 GLU C A 59 LYS N 1.0 -80.78 -0.78 PSI 44 44 A 58 GLU C A 59 LYS N A 59 LYS CA A 59 LYS C 1.0 -101.55 -41.55 PHI 45 45 A 59 LYS N A 59 LYS CA A 59 LYS C A 60 LEU N 1.0 -78.14 1.86 PSI 46 46 A 59 LYS C A 60 LEU N A 60 LEU CA A 60 LEU C 1.0 -95.03 -35.03 PHI 47 47 A 60 LEU N A 60 LEU CA A 60 LEU C A 61 SER N 1.0 -75.40 4.60 PSI 48 48 A 60 LEU C A 61 SER N A 61 SER CA A 61 SER C 1.0 -93.36 -33.36 PHI 49 49 A 61 SER N A 61 SER CA A 61 SER C A 62 GLU N 1.0 -81.26 -1.26 PSI 50 50 A 61 SER C A 62 GLU N A 62 GLU CA A 62 GLU C 1.0 -93.43 -33.43 PHI 51 51 A 62 GLU N A 62 GLU CA A 62 GLU C A 63 LEU N 1.0 -81.95 -1.95 PSI 52 52 A 62 GLU C A 63 LEU N A 63 LEU CA A 63 LEU C 1.0 -93.91 -33.91 PHI 53 53 A 63 LEU N A 63 LEU CA A 63 LEU C A 64 ALA N 1.0 -80.66 -0.66 PSI 54 54 A 63 LEU C A 64 ALA N A 64 ALA CA A 64 ALA C 1.0 -92.57 -32.57 PHI 55 55 A 64 ALA N A 64 ALA CA A 64 ALA C A 65 ASP N 1.0 -84.89 -4.89 PSI 56 56 A 64 ALA C A 65 ASP N A 65 ASP CA A 65 ASP C 1.0 -97.54 -37.54 PHI 57 57 A 65 ASP N A 65 ASP CA A 65 ASP C A 66 ALA N 1.0 -79.27 0.73 PSI 58 58 A 65 ASP C A 66 ALA N A 66 ALA CA A 66 ALA C 1.0 -94.59 -34.59 PHI 59 59 A 66 ALA N A 66 ALA CA A 66 ALA C A 67 LYS N 1.0 -64.35 15.65 PSI 60 60 A 70 LYS C A 71 TYR N A 71 TYR CA A 71 TYR C 1.0 -159.06 -99.06 PHI 61 61 A 71 TYR N A 71 TYR CA A 71 TYR C A 72 TYR N 1.0 118.71 198.71 PSI 62 62 A 71 TYR C A 72 TYR N A 72 TYR CA A 72 TYR C 1.0 -155.25 -95.25 PHI 63 63 A 72 TYR N A 72 TYR CA A 72 TYR C A 73 HIS N 1.0 99.71 179.71 PSI 64 64 A 72 TYR C A 73 HIS N A 73 HIS CA A 73 HIS C 1.0 -151.19 -91.19 PHI 65 65 A 73 HIS N A 73 HIS CA A 73 HIS C A 74 ILE N 1.0 85.27 165.27 PSI 66 66 A 73 HIS C A 74 ILE N A 74 ILE CA A 74 ILE C 1.0 -106.22 -46.22 PHI 67 67 A 74 ILE N A 74 ILE CA A 74 ILE C A 75 ILE N 1.0 87.74 167.74 PSI 68 68 A 78 ARG C A 79 GLU N A 79 GLU CA A 79 GLU C 1.0 -138.11 -78.11 PHI 69 69 A 79 GLU N A 79 GLU CA A 79 GLU C A 80 HIS N 1.0 88.25 168.25 PSI 70 70 A 80 HIS C A 81 GLY N A 81 GLY CA A 81 GLY C 1.0 74.14 134.14 PHI 71 71 A 81 GLY N A 81 GLY CA A 81 GLY C A 82 PRO N 1.0 -176.69 -96.69 PSI 72 72 A 82 PRO C A 83 ASN N A 83 ASN CA A 83 ASN C 1.0 -141.82 -81.82 PHI 73 73 A 83 ASN N A 83 ASN CA A 83 ASN C A 84 PHE N 1.0 104.39 184.39 PSI 74 74 A 83 ASN C A 84 PHE N A 84 PHE CA A 84 PHE C 1.0 -135.59 -75.59 PHI 75 75 A 84 PHE N A 84 PHE CA A 84 PHE C A 85 GLU N 1.0 89.70 169.70 PSI 76 76 A 84 PHE C A 85 GLU N A 85 GLU CA A 85 GLU C 1.0 -153.16 -93.16 PHI 77 77 A 85 GLU N A 85 GLU CA A 85 GLU C A 86 ALA N 1.0 107.92 187.92 PSI 78 78 A 85 GLU C A 86 ALA N A 86 ALA CA A 86 ALA C 1.0 -165.19 -105.19 PHI 79 79 A 86 ALA N A 86 ALA CA A 86 ALA C A 87 VAL N 1.0 103.16 183.16 PSI 80 80 A 86 ALA C A 87 VAL N A 87 VAL CA A 87 VAL C 1.0 -153.49 -93.49 PHI 81 81 A 87 VAL N A 87 VAL CA A 87 VAL C A 88 ALA N 1.0 94.38 174.38 PSI 82 82 A 87 VAL C A 88 ALA N A 88 ALA CA A 88 ALA C 1.0 -157.30 -97.30 PHI 83 83 A 88 ALA N A 88 ALA CA A 88 ALA C A 89 GLU N 1.0 100.49 180.49 PSI 84 84 A 88 ALA C A 89 GLU N A 89 GLU CA A 89 GLU C 1.0 -161.87 -101.87 PHI 85 85 A 89 GLU N A 89 GLU CA A 89 GLU C A 90 VAL N 1.0 98.23 178.23 PSI 86 86 A 89 GLU C A 90 VAL N A 90 VAL CA A 90 VAL C 1.0 -147.91 -87.91 PHI 87 87 A 90 VAL N A 90 VAL CA A 90 VAL C A 91 TYR N 1.0 88.94 168.94 PSI 88 88 A 90 VAL C A 91 TYR N A 91 TYR CA A 91 TYR C 1.0 -158.60 -98.60 PHI 89 89 A 91 TYR N A 91 TYR CA A 91 TYR C A 92 ASN N 1.0 111.02 191.02 PSI 90 90 A 91 TYR C A 92 ASN N A 92 ASN CA A 92 ASN C 1.0 -157.79 -97.79 PHI 91 91 A 92 ASN N A 92 ASN CA A 92 ASN C A 93 ASP N 1.0 107.68 187.68 PSI 92 92 B 22 ALA N B 22 ALA CA B 22 ALA C B 23 GLU N 1.0 114.88 194.88 PSI 93 93 B 22 ALA C B 23 GLU N B 23 GLU CA B 23 GLU C 1.0 -157.55 -97.55 PHI 94 94 B 23 GLU N B 23 GLU CA B 23 GLU C B 24 GLN N 1.0 108.42 188.42 PSI 95 95 B 24 GLN C B 25 VAL N B 25 VAL CA B 25 VAL C 1.0 -155.51 -95.51 PHI 96 96 B 25 VAL N B 25 VAL CA B 25 VAL C B 26 SER N 1.0 110.68 190.68 PSI 97 97 B 25 VAL C B 26 SER N B 26 SER CA B 26 SER C 1.0 -117.93 -57.93 PHI 98 98 B 26 SER N B 26 SER CA B 26 SER C B 27 LYS N 1.0 118.61 198.61 PSI 99 99 B 26 SER C B 27 LYS N B 27 LYS CA B 27 LYS C 1.0 -89.88 -29.88 PHI 100 100 B 27 LYS N B 27 LYS CA B 27 LYS C B 28 GLN N 1.0 -75.74 4.26 PSI 101 101 B 27 LYS C B 28 GLN N B 28 GLN CA B 28 GLN C 1.0 -92.37 -32.37 PHI 102 102 B 28 GLN N B 28 GLN CA B 28 GLN C B 29 GLU N 1.0 -79.63 0.37 PSI 103 103 B 28 GLN C B 29 GLU N B 29 GLU CA B 29 GLU C 1.0 -95.85 -35.85 PHI 104 104 B 29 GLU N B 29 GLU CA B 29 GLU C B 30 ILE N 1.0 -83.54 -3.54 PSI 105 105 B 29 GLU C B 30 ILE N B 30 ILE CA B 30 ILE C 1.0 -94.40 -34.40 PHI 106 106 B 30 ILE N B 30 ILE CA B 30 ILE C B 31 SER N 1.0 -83.42 -3.42 PSI 107 107 B 30 ILE C B 31 SER N B 31 SER CA B 31 SER C 1.0 -91.46 -31.46 PHI 108 108 B 31 SER N B 31 SER CA B 31 SER C B 32 HIS N 1.0 -79.03 0.97 PSI 109 109 B 31 SER C B 32 HIS N B 32 HIS CA B 32 HIS C 1.0 -95.15 -35.15 PHI 110 110 B 32 HIS N B 32 HIS CA B 32 HIS C B 33 PHE N 1.0 -79.03 0.97 PSI 111 111 B 32 HIS C B 33 PHE N B 33 PHE CA B 33 PHE C 1.0 -116.05 -56.05 PHI 112 112 B 33 PHE N B 33 PHE CA B 33 PHE C B 34 LYS N 1.0 -36.35 43.65 PSI 113 113 B 35 LEU C B 36 VAL N B 36 VAL CA B 36 VAL C 1.0 -130.28 -70.28 PHI 114 114 B 36 VAL N B 36 VAL CA B 36 VAL C B 37 LYS N 1.0 93.50 173.50 PSI 115 115 B 38 VAL C B 39 GLY N B 39 GLY CA B 39 GLY C 1.0 -198.77 -138.77 PHI 116 116 B 39 GLY N B 39 GLY CA B 39 GLY C B 40 THR N 1.0 121.84 201.84 PSI 117 117 B 39 GLY C B 40 THR N B 40 THR CA B 40 THR C 1.0 -142.15 -82.15 PHI 118 118 B 40 THR N B 40 THR CA B 40 THR C B 41 ILE N 1.0 102.93 182.93 PSI 119 119 B 41 ILE C B 42 ASN N B 42 ASN CA B 42 ASN C 1.0 -158.92 -98.92 PHI 120 120 B 42 ASN N B 42 ASN CA B 42 ASN C B 43 VAL N 1.0 98.99 178.99 PSI 121 121 B 42 ASN C B 43 VAL N B 43 VAL CA B 43 VAL C 1.0 -161.55 -101.55 PHI 122 122 B 43 VAL N B 43 VAL CA B 43 VAL C B 44 SER N 1.0 100.93 180.93 PSI 123 123 B 43 VAL C B 44 SER N B 44 SER CA B 44 SER C 1.0 -132.07 -72.07 PHI 124 124 B 44 SER N B 44 SER CA B 44 SER C B 45 GLN N 1.0 91.46 171.46 PSI 125 125 B 44 SER C B 45 GLN N B 45 GLN CA B 45 GLN C 1.0 -160.00 -100.00 PHI 126 126 B 45 GLN N B 45 GLN CA B 45 GLN C B 46 SER N 1.0 100.63 180.63 PSI 127 127 B 53 PRO C B 54 SER N B 54 SER CA B 54 SER C 1.0 -93.49 -33.49 PHI 128 128 B 54 SER N B 54 SER CA B 54 SER C B 55 ASP N 1.0 -81.61 -1.61 PSI 129 129 B 54 SER C B 55 ASP N B 55 ASP CA B 55 ASP C 1.0 -95.87 -35.87 PHI 130 130 B 55 ASP N B 55 ASP CA B 55 ASP C B 56 LEU N 1.0 -78.16 1.84 PSI 131 131 B 56 LEU C B 57 ARG N B 57 ARG CA B 57 ARG C 1.0 -91.63 -31.63 PHI 132 132 B 57 ARG N B 57 ARG CA B 57 ARG C B 58 GLU N 1.0 -79.75 0.25 PSI 133 133 B 57 ARG C B 58 GLU N B 58 GLU CA B 58 GLU C 1.0 -93.31 -33.31 PHI 134 134 B 58 GLU N B 58 GLU CA B 58 GLU C B 59 LYS N 1.0 -80.78 -0.78 PSI 135 135 B 58 GLU C B 59 LYS N B 59 LYS CA B 59 LYS C 1.0 -101.55 -41.55 PHI 136 136 B 59 LYS N B 59 LYS CA B 59 LYS C B 60 LEU N 1.0 -78.14 1.86 PSI 137 137 B 59 LYS C B 60 LEU N B 60 LEU CA B 60 LEU C 1.0 -95.03 -35.03 PHI 138 138 B 60 LEU N B 60 LEU CA B 60 LEU C B 61 SER N 1.0 -75.40 4.60 PSI 139 139 B 60 LEU C B 61 SER N B 61 SER CA B 61 SER C 1.0 -93.36 -33.36 PHI 140 140 B 61 SER N B 61 SER CA B 61 SER C B 62 GLU N 1.0 -81.26 -1.26 PSI 141 141 B 61 SER C B 62 GLU N B 62 GLU CA B 62 GLU C 1.0 -93.43 -33.43 PHI 142 142 B 62 GLU N B 62 GLU CA B 62 GLU C B 63 LEU N 1.0 -81.95 -1.95 PSI 143 143 B 62 GLU C B 63 LEU N B 63 LEU CA B 63 LEU C 1.0 -93.91 -33.91 PHI 144 144 B 63 LEU N B 63 LEU CA B 63 LEU C B 64 ALA N 1.0 -80.66 -0.66 PSI 145 145 B 63 LEU C B 64 ALA N B 64 ALA CA B 64 ALA C 1.0 -92.57 -32.57 PHI 146 146 B 64 ALA N B 64 ALA CA B 64 ALA C B 65 ASP N 1.0 -84.89 -4.89 PSI 147 147 B 64 ALA C B 65 ASP N B 65 ASP CA B 65 ASP C 1.0 -97.54 -37.54 PHI 148 148 B 65 ASP N B 65 ASP CA B 65 ASP C B 66 ALA N 1.0 -79.27 0.73 PSI 149 149 B 65 ASP C B 66 ALA N B 66 ALA CA B 66 ALA C 1.0 -94.59 -34.59 PHI 150 150 B 66 ALA N B 66 ALA CA B 66 ALA C B 67 LYS N 1.0 -64.35 15.65 PSI 151 151 B 70 LYS C B 71 TYR N B 71 TYR CA B 71 TYR C 1.0 -159.06 -99.06 PHI 152 152 B 71 TYR N B 71 TYR CA B 71 TYR C B 72 TYR N 1.0 118.71 198.71 PSI 153 153 B 71 TYR C B 72 TYR N B 72 TYR CA B 72 TYR C 1.0 -155.25 -95.25 PHI 154 154 B 72 TYR N B 72 TYR CA B 72 TYR C B 73 HIS N 1.0 99.71 179.71 PSI 155 155 B 72 TYR C B 73 HIS N B 73 HIS CA B 73 HIS C 1.0 -151.19 -91.19 PHI 156 156 B 73 HIS N B 73 HIS CA B 73 HIS C B 74 ILE N 1.0 85.27 165.27 PSI 157 157 B 73 HIS C B 74 ILE N B 74 ILE CA B 74 ILE C 1.0 -106.22 -46.22 PHI 158 158 B 74 ILE N B 74 ILE CA B 74 ILE C B 75 ILE N 1.0 87.74 167.74 PSI 159 159 B 78 ARG C B 79 GLU N B 79 GLU CA B 79 GLU C 1.0 -138.11 -78.11 PHI 160 160 B 79 GLU N B 79 GLU CA B 79 GLU C B 80 HIS N 1.0 88.25 168.25 PSI 161 161 B 80 HIS C B 81 GLY N B 81 GLY CA B 81 GLY C 1.0 74.14 134.14 PHI 162 162 B 81 GLY N B 81 GLY CA B 81 GLY C B 82 PRO N 1.0 -176.69 -96.69 PSI 163 163 B 82 PRO C B 83 ASN N B 83 ASN CA B 83 ASN C 1.0 -141.82 -81.82 PHI 164 164 B 83 ASN N B 83 ASN CA B 83 ASN C B 84 PHE N 1.0 104.39 184.39 PSI 165 165 B 83 ASN C B 84 PHE N B 84 PHE CA B 84 PHE C 1.0 -135.59 -75.59 PHI 166 166 B 84 PHE N B 84 PHE CA B 84 PHE C B 85 GLU N 1.0 89.70 169.70 PSI 167 167 B 84 PHE C B 85 GLU N B 85 GLU CA B 85 GLU C 1.0 -153.16 -93.16 PHI 168 168 B 85 GLU N B 85 GLU CA B 85 GLU C B 86 ALA N 1.0 107.92 187.92 PSI 169 169 B 85 GLU C B 86 ALA N B 86 ALA CA B 86 ALA C 1.0 -165.19 -105.19 PHI 170 170 B 86 ALA N B 86 ALA CA B 86 ALA C B 87 VAL N 1.0 103.16 183.16 PSI 171 171 B 86 ALA C B 87 VAL N B 87 VAL CA B 87 VAL C 1.0 -153.49 -93.49 PHI 172 172 B 87 VAL N B 87 VAL CA B 87 VAL C B 88 ALA N 1.0 94.38 174.38 PSI 173 173 B 87 VAL C B 88 ALA N B 88 ALA CA B 88 ALA C 1.0 -157.30 -97.30 PHI 174 174 B 88 ALA N B 88 ALA CA B 88 ALA C B 89 GLU N 1.0 100.49 180.49 PSI 175 175 B 88 ALA C B 89 GLU N B 89 GLU CA B 89 GLU C 1.0 -161.87 -101.87 PHI 176 176 B 89 GLU N B 89 GLU CA B 89 GLU C B 90 VAL N 1.0 98.23 178.23 PSI 177 177 B 89 GLU C B 90 VAL N B 90 VAL CA B 90 VAL C 1.0 -147.91 -87.91 PHI 178 178 B 90 VAL N B 90 VAL CA B 90 VAL C B 91 TYR N 1.0 88.94 168.94 PSI 179 179 B 90 VAL C B 91 TYR N B 91 TYR CA B 91 TYR C 1.0 -158.60 -98.60 PHI 180 180 B 91 TYR N B 91 TYR CA B 91 TYR C B 92 ASN N 1.0 111.02 191.02 PSI 181 181 B 91 TYR C B 92 ASN N B 92 ASN CA B 92 ASN C 1.0 -157.79 -97.79 PHI 182 182 B 92 ASN N B 92 ASN CA B 92 ASN C B 93 ASP N 1.0 107.68 187.68 PSI stop_ save_ save_15N _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode 15N _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 10000 2 15N 2500 3 1H 10000 stop_ save_ save_13C_ali _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode 13C_ali _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 10000 2 13C 16200 3 1H 10000 stop_ save_ save_13C_aro _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode 13C_aro _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 10000 2 13C 5400 3 1H 10000 stop_ save_