data_nef_c18364_2lrg 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_GS13500A_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode GS13500A_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 1 GLY start . false 2 A 2 ALA middle . . 3 A 3 SER middle . . 4 A 4 ASP middle . . 5 A 5 PHE middle . . 6 A 6 GLN middle . . 7 A 7 THR middle . . 8 A 8 GLY middle . false 9 A 9 ILE middle . . 10 A 10 HIS middle . . 11 A 11 LYS middle . . 12 A 12 ILE middle . . 13 A 13 VAL middle . . 14 A 14 ILE middle . . 15 A 15 GLN middle . . 16 A 16 GLN middle . . 17 A 17 SER middle . . 18 A 18 GLY middle . false 19 A 19 ASP middle . . 20 A 20 THR middle . . 21 A 21 ASP middle . . 22 A 22 SER middle . . 23 A 23 PHE middle . . 24 A 24 GLU middle . . 25 A 25 VAL middle . . 26 A 26 SER middle . . 27 A 27 VAL middle . . 28 A 28 SER middle . . 29 A 29 ILE middle . . 30 A 30 GLY middle . false 31 A 31 GLY middle . false 32 A 32 ALA middle . . 33 A 33 ASP middle . . 34 A 34 LYS middle . . 35 A 35 GLY middle . false 36 A 36 GLY middle . false 37 A 37 PRO middle . false 38 A 38 ALA middle . . 39 A 39 LYS middle . . 40 A 40 LEU middle . . 41 A 41 TYR middle . . 42 A 42 ASN middle . . 43 A 43 ASP middle . . 44 A 44 LYS middle . . 45 A 45 GLY middle . false 46 A 46 GLU middle . . 47 A 47 TYR middle . . 48 A 48 ILE middle . . 49 A 49 GLY middle . false 50 A 50 ASP middle . . 51 A 51 SER middle . . 52 A 52 TYR middle . . 53 A 53 SER middle . . 54 A 54 ALA middle . . 55 A 55 GLN middle . . 56 A 56 ILE middle . . 57 A 57 ARG middle . . 58 A 58 THR middle . . 59 A 59 ALA middle . . 60 A 60 THR middle . . 61 A 61 MET middle . . 62 A 62 SER middle . . 63 A 63 CYS middle . . 64 A 64 CYS middle . . 65 A 65 THR middle . . 66 A 66 ASN middle . . 67 A 67 GLY middle . false 68 A 68 ASN middle . . 69 A 69 ALA middle . . 70 A 70 PHE middle . . 71 A 71 PHE middle . . 72 A 72 MET middle . . 73 A 73 THR middle . . 74 A 74 CYS middle . . 75 A 75 ALA middle . . 76 A 76 GLY middle . false 77 A 77 SER middle . . 78 A 78 VAL middle . . 79 A 79 SER middle . . 80 A 80 SER middle . . 81 A 81 ILE middle . . 82 A 82 SER middle . . 83 A 83 GLU middle . . 84 A 84 ALA middle . . 85 A 85 GLY middle . false 86 A 86 LYS middle . . 87 A 87 ARG middle . . 88 A 88 LEU middle . . 89 A 89 HIS middle . . 90 A 90 ILE middle . . 91 A 91 THR middle . . 92 A 92 VAL middle . . 93 A 93 ILE middle . . 94 A 94 GLY middle . false 95 A 95 TYR middle . . 96 A 96 ILE middle . . 97 A 97 ASP middle . . 98 A 98 ASP middle . . 99 A 99 LYS middle . . 100 A 100 GLU middle . . 101 A 101 VAL middle . . 102 A 102 ASN middle . . 103 A 103 ARG middle . . 104 A 104 LEU middle . . 105 A 105 GLU middle . . 106 A 106 LYS middle . . 107 A 107 GLU middle . . 108 A 108 TYR middle . . 109 A 109 ILE middle . . 110 A 110 THR middle . . 111 A 111 ASP middle . . 112 A 112 GLY middle . false 113 A 113 ASN middle . . 114 A 114 THR middle . . 115 A 115 LEU middle . . 116 A 116 ILE middle . . 117 A 117 GLU middle . . 118 A 118 THR middle . . 119 A 119 PHE middle . . 120 A 120 SER middle . . 121 A 121 VAL middle . . 122 A 122 SER middle . . 123 A 123 THR middle . . 124 A 124 LYS middle . . 125 A 125 GLU middle . . 126 A 126 ILE 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 2 ALA CA C 13 50.698 0.160 A 2 ALA CB C 13 16.688 0.160 A 3 SER H H 1 8.301 0.006 A 3 SER HA H 1 4.296 0.006 A 3 SER HBx H 1 3.696 0.006 A 3 SER HBy H 1 3.745 0.006 A 3 SER CA C 13 55.573 0.160 A 3 SER CB C 13 60.888 0.160 A 3 SER N N 15 113.663 0.130 A 4 ASP H H 1 7.874 0.006 A 4 ASP HA H 1 4.394 0.006 A 4 ASP HBx H 1 2.377 0.006 A 4 ASP HBy H 1 2.377 0.006 A 4 ASP CA C 13 51.748 0.160 A 4 ASP CB C 13 38.614 0.160 A 4 ASP N N 15 121.532 0.130 A 5 PHE H H 1 7.832 0.006 A 5 PHE HA H 1 4.535 0.006 A 5 PHE HBy H 1 3.060 0.006 A 5 PHE HBx H 1 2.668 0.006 A 5 PHE HDx H 1 6.948 0.006 A 5 PHE HDy H 1 6.948 0.006 A 5 PHE HEx H 1 7.139 0.006 A 5 PHE HEy H 1 7.139 0.006 A 5 PHE CA C 13 54.589 0.160 A 5 PHE CB C 13 37.079 0.160 A 5 PHE CDy C 13 128.850 0.160 A 5 PHE CDx C 13 128.845 0.160 A 5 PHE CEx C 13 128.710 0.160 A 5 PHE CEy C 13 128.713 0.160 A 5 PHE N N 15 119.126 0.130 A 6 GLN H H 1 8.447 0.006 A 6 GLN HA H 1 4.417 0.006 A 6 GLN HBy H 1 2.078 0.006 A 6 GLN HBx H 1 1.961 0.006 A 6 GLN HE2y H 1 7.581 0.006 A 6 GLN HE2x H 1 6.778 0.006 A 6 GLN HGx H 1 2.291 0.006 A 6 GLN HGy H 1 2.328 0.006 A 6 GLN CA C 13 53.128 0.160 A 6 GLN CB C 13 27.477 0.160 A 6 GLN CG C 13 31.511 0.160 A 6 GLN N N 15 122.092 0.130 A 6 GLN NE2 N 15 112.759 0.130 A 7 THR H H 1 8.145 0.006 A 7 THR HA H 1 5.035 0.006 A 7 THR HB H 1 4.256 0.006 A 7 THR HG2% H 1 1.119 0.006 A 7 THR CA C 13 57.906 0.160 A 7 THR CB C 13 68.370 0.160 A 7 THR CG2 C 13 19.636 0.160 A 7 THR N N 15 114.717 0.130 A 8 GLY H H 1 9.234 0.006 A 8 GLY HAy H 1 3.989 0.006 A 8 GLY HAx H 1 3.898 0.006 A 8 GLY CA C 13 43.774 0.160 A 8 GLY N N 15 111.628 0.130 A 9 ILE H H 1 8.603 0.006 A 9 ILE HA H 1 3.934 0.006 A 9 ILE HB H 1 1.691 0.006 A 9 ILE HD1% H 1 0.735 0.006 A 9 ILE HG1y H 1 1.513 0.006 A 9 ILE HG1x H 1 0.735 0.006 A 9 ILE HG2% H 1 0.789 0.006 A 9 ILE CA C 13 58.907 0.160 A 9 ILE CB C 13 35.738 0.160 A 9 ILE CD1 C 13 11.026 0.160 A 9 ILE CG1 C 13 25.131 0.160 A 9 ILE CG2 C 13 14.473 0.160 A 9 ILE N N 15 119.585 0.130 A 10 HIS H H 1 8.599 0.006 A 10 HIS HA H 1 5.185 0.006 A 10 HIS HBy H 1 2.869 0.006 A 10 HIS HBx H 1 2.774 0.006 A 10 HIS HD2 H 1 7.155 0.006 A 10 HIS HE1 H 1 7.333 0.006 A 10 HIS CA C 13 53.587 0.160 A 10 HIS CB C 13 30.817 0.160 A 10 HIS CD2 C 13 114.723 0.160 A 10 HIS CE1 C 13 134.517 0.160 A 10 HIS N N 15 133.616 0.130 A 11 LYS H H 1 8.775 0.006 A 11 LYS HA H 1 5.236 0.006 A 11 LYS HBx H 1 1.557 0.006 A 11 LYS HBy H 1 1.678 0.006 A 11 LYS CA C 13 52.748 0.160 A 11 LYS CB C 13 35.137 0.160 A 11 LYS CD C 13 26.369 0.160 A 11 LYS CE C 13 38.735 0.160 A 11 LYS CG C 13 21.578 0.160 A 11 LYS N N 15 122.949 0.130 A 12 ILE H H 1 8.578 0.006 A 12 ILE HA H 1 5.273 0.006 A 12 ILE HB H 1 1.603 0.006 A 12 ILE HD1% H 1 0.646 0.006 A 12 ILE HG1y H 1 1.467 0.006 A 12 ILE HG1x H 1 1.348 0.006 A 12 ILE HG2% H 1 0.710 0.006 A 12 ILE CA C 13 55.780 0.160 A 12 ILE CB C 13 38.767 0.160 A 12 ILE CD1 C 13 9.581 0.160 A 12 ILE CG1 C 13 25.259 0.160 A 12 ILE CG2 C 13 14.936 0.160 A 12 ILE N N 15 125.260 0.130 A 13 VAL H H 1 9.052 0.006 A 13 VAL HA H 1 4.795 0.006 A 13 VAL HB H 1 2.003 0.006 A 13 VAL HGy% H 1 0.994 0.006 A 13 VAL CA C 13 58.115 0.160 A 13 VAL CB C 13 32.948 0.160 A 13 VAL CGx C 13 18.324 0.160 A 13 VAL CGy C 13 19.590 0.160 A 13 VAL N N 15 126.515 0.130 A 14 ILE H H 1 8.974 0.006 A 14 ILE HA H 1 5.008 0.006 A 14 ILE HB H 1 1.548 0.006 A 14 ILE HD1% H 1 0.868 0.006 A 14 ILE HG1y H 1 1.568 0.006 A 14 ILE HG1x H 1 0.980 0.006 A 14 ILE HG2% H 1 0.706 0.006 A 14 ILE CA C 13 57.539 0.160 A 14 ILE CB C 13 38.656 0.160 A 14 ILE CD1 C 13 13.349 0.160 A 14 ILE CG1 C 13 26.565 0.160 A 14 ILE CG2 C 13 14.814 0.160 A 14 ILE N N 15 125.803 0.130 A 15 GLN H H 1 9.244 0.006 A 15 GLN HA H 1 5.433 0.006 A 15 GLN HBy H 1 2.008 0.006 A 15 GLN HBx H 1 1.900 0.006 A 15 GLN HE2x H 1 6.607 0.006 A 15 GLN HE2y H 1 7.081 0.006 A 15 GLN HGy H 1 2.273 0.006 A 15 GLN HGx H 1 2.140 0.006 A 15 GLN CA C 13 51.002 0.160 A 15 GLN CB C 13 29.637 0.160 A 15 GLN CG C 13 31.254 0.160 A 15 GLN N N 15 125.773 0.130 A 15 GLN NE2 N 15 109.793 0.130 A 16 GLN H H 1 8.964 0.006 A 16 GLN HA H 1 5.741 0.006 A 16 GLN HBx H 1 1.564 0.006 A 16 GLN HBy H 1 2.004 0.006 A 16 GLN HE2y H 1 6.813 0.006 A 16 GLN HE2x H 1 5.706 0.006 A 16 GLN HGy H 1 2.329 0.006 A 16 GLN HGx H 1 2.133 0.006 A 16 GLN CA C 13 50.572 0.160 A 16 GLN CB C 13 30.039 0.160 A 16 GLN CG C 13 29.382 0.160 A 16 GLN N N 15 119.832 0.130 A 16 GLN NE2 N 15 104.398 0.130 A 17 SER H H 1 8.770 0.006 A 17 SER HA H 1 4.526 0.006 A 17 SER HBx H 1 3.812 0.006 A 17 SER HBy H 1 3.812 0.006 A 17 SER CA C 13 54.831 0.160 A 17 SER CB C 13 62.930 0.160 A 17 SER N N 15 115.201 0.130 A 18 GLY H H 1 8.798 0.006 A 18 GLY HAx H 1 3.676 0.006 A 18 GLY HAy H 1 4.577 0.006 A 18 GLY CA C 13 41.737 0.160 A 18 GLY N N 15 109.321 0.130 A 19 ASP H H 1 9.708 0.006 A 19 ASP HA H 1 5.071 0.006 A 19 ASP HBx H 1 2.882 0.006 A 19 ASP HBy H 1 2.968 0.006 A 19 ASP CA C 13 51.251 0.160 A 19 ASP CB C 13 37.872 0.160 A 19 ASP N N 15 128.121 0.130 A 20 THR H H 1 8.136 0.006 A 20 THR HA H 1 3.615 0.006 A 20 THR HB H 1 4.140 0.006 A 20 THR HG2% H 1 0.902 0.006 A 20 THR CA C 13 63.331 0.160 A 20 THR CB C 13 64.873 0.160 A 20 THR CG2 C 13 18.982 0.160 A 20 THR N N 15 111.610 0.130 A 21 ASP H H 1 8.566 0.006 A 21 ASP HA H 1 4.639 0.006 A 21 ASP HBx H 1 2.722 0.006 A 21 ASP HBy H 1 2.722 0.006 A 21 ASP CA C 13 52.945 0.160 A 21 ASP CB C 13 37.785 0.160 A 21 ASP N N 15 118.304 0.130 A 22 SER H H 1 8.076 0.006 A 22 SER HA H 1 4.384 0.006 A 22 SER HBx H 1 3.779 0.006 A 22 SER HBy H 1 3.837 0.006 A 22 SER CA C 13 57.170 0.160 A 22 SER CB C 13 61.441 0.160 A 22 SER N N 15 114.253 0.130 A 23 PHE H H 1 7.611 0.006 A 23 PHE HA H 1 5.010 0.006 A 23 PHE HBx H 1 2.605 0.006 A 23 PHE HBy H 1 2.605 0.006 A 23 PHE CA C 13 53.272 0.160 A 23 PHE CB C 13 42.021 0.160 A 23 PHE CDy C 13 129.690 0.160 A 23 PHE N N 15 119.853 0.130 A 24 GLU H H 1 8.958 0.006 A 24 GLU HA H 1 4.571 0.006 A 24 GLU HBx H 1 1.760 0.006 A 24 GLU HBy H 1 1.828 0.006 A 24 GLU HGx H 1 1.792 0.006 A 24 GLU CA C 13 52.642 0.160 A 24 GLU CB C 13 28.881 0.160 A 24 GLU N N 15 119.255 0.130 A 25 VAL H H 1 9.678 0.006 A 25 VAL HA H 1 4.859 0.006 A 25 VAL HB H 1 2.127 0.006 A 25 VAL HGx% H 1 0.849 0.006 A 25 VAL HGy% H 1 0.728 0.006 A 25 VAL CA C 13 58.548 0.160 A 25 VAL CB C 13 30.439 0.160 A 25 VAL CGy C 13 19.205 0.160 A 25 VAL CGx C 13 17.871 0.160 A 25 VAL N N 15 130.637 0.130 A 26 SER H H 1 8.883 0.006 A 26 SER HA H 1 5.289 0.006 A 26 SER HBy H 1 3.603 0.006 A 26 SER HBx H 1 3.508 0.006 A 26 SER CA C 13 54.088 0.160 A 26 SER CB C 13 62.476 0.160 A 26 SER N N 15 122.555 0.130 A 27 VAL H H 1 8.493 0.006 A 27 VAL HA H 1 5.269 0.006 A 27 VAL HB H 1 2.028 0.006 A 27 VAL HG1% H 1 0.763 0.006 A 27 VAL HG2% H 1 0.763 0.006 A 27 VAL CA C 13 56.005 0.160 A 27 VAL CB C 13 34.158 0.160 A 27 VAL CGy C 13 19.320 0.160 A 27 VAL CGx C 13 19.318 0.160 A 27 VAL N N 15 113.682 0.130 A 28 SER H H 1 8.709 0.006 A 28 SER HA H 1 5.410 0.006 A 28 SER HBx H 1 3.596 0.006 A 28 SER HBy H 1 3.723 0.006 A 28 SER CA C 13 54.633 0.160 A 28 SER CB C 13 62.095 0.160 A 28 SER N N 15 116.852 0.130 A 29 ILE H H 1 9.631 0.006 A 29 ILE HA H 1 5.224 0.006 A 29 ILE HB H 1 1.740 0.006 A 29 ILE HD1% H 1 0.766 0.006 A 29 ILE HG1x H 1 0.968 0.006 A 29 ILE HG1y H 1 1.708 0.006 A 29 ILE HG2% H 1 0.833 0.006 A 29 ILE CA C 13 57.247 0.160 A 29 ILE CB C 13 39.144 0.160 A 29 ILE CD1 C 13 11.252 0.160 A 29 ILE CG1 C 13 26.313 0.160 A 29 ILE CG2 C 13 16.120 0.160 A 29 ILE N N 15 128.765 0.130 A 30 GLY H H 1 8.095 0.006 A 30 GLY HAx H 1 3.960 0.006 A 30 GLY HAy H 1 4.428 0.006 A 30 GLY CA C 13 42.140 0.160 A 30 GLY N N 15 112.478 0.130 A 31 GLY H H 1 9.755 0.006 A 31 GLY HAx H 1 3.633 0.006 A 31 GLY HAy H 1 4.385 0.006 A 31 GLY CA C 13 43.201 0.160 A 31 GLY N N 15 108.502 0.130 A 32 ALA H H 1 7.338 0.006 A 32 ALA HA H 1 4.967 0.006 A 32 ALA HB% H 1 0.925 0.006 A 32 ALA CA C 13 48.540 0.160 A 32 ALA CB C 13 21.078 0.160 A 32 ALA N N 15 122.020 0.130 A 33 ASP H H 1 8.945 0.006 A 33 ASP HA H 1 3.680 0.006 A 33 ASP HBx H 1 2.300 0.006 A 33 ASP HBy H 1 2.780 0.006 A 33 ASP CA C 13 49.520 0.160 A 33 ASP CB C 13 40.840 0.160 A 33 ASP N N 15 121.217 0.130 A 34 LYS H H 1 8.200 0.006 A 34 LYS HA H 1 4.017 0.006 A 34 LYS HBx H 1 1.743 0.006 A 34 LYS HBy H 1 1.856 0.006 A 34 LYS HDx H 1 1.629 0.006 A 34 LYS HDy H 1 1.629 0.006 A 34 LYS HEx H 1 2.906 0.006 A 34 LYS HGx H 1 1.398 0.006 A 34 LYS HGy H 1 1.398 0.006 A 34 LYS CA C 13 56.700 0.160 A 34 LYS CB C 13 29.772 0.160 A 34 LYS CD C 13 26.851 0.160 A 34 LYS CE C 13 39.565 0.160 A 34 LYS CG C 13 22.194 0.160 A 34 LYS N N 15 117.693 0.130 A 35 GLY H H 1 8.653 0.006 A 35 GLY HAx H 1 3.557 0.006 A 35 GLY HAy H 1 4.187 0.006 A 35 GLY CA C 13 42.719 0.160 A 35 GLY N N 15 106.697 0.130 A 36 GLY H H 1 7.601 0.006 A 36 GLY HAx H 1 3.590 0.006 A 36 GLY HAy H 1 4.606 0.006 A 36 GLY CA C 13 41.099 0.160 A 36 GLY N N 15 110.824 0.130 A 37 PRO HA H 1 4.571 0.006 A 37 PRO HBx H 1 1.856 0.006 A 37 PRO HBy H 1 2.366 0.006 A 37 PRO HDx H 1 3.631 0.006 A 37 PRO HDy H 1 3.631 0.006 A 37 PRO HGy H 1 2.104 0.006 A 37 PRO HGx H 1 1.946 0.006 A 37 PRO CA C 13 60.012 0.160 A 37 PRO CB C 13 29.470 0.160 A 37 PRO CD C 13 47.451 0.160 A 37 PRO CG C 13 25.208 0.160 A 38 ALA H H 1 7.486 0.006 A 38 ALA HA H 1 4.127 0.006 A 38 ALA HB% H 1 0.912 0.006 A 38 ALA CA C 13 48.117 0.160 A 38 ALA CB C 13 16.655 0.160 A 38 ALA N N 15 127.841 0.130 A 39 LYS H H 1 8.042 0.006 A 39 LYS HA H 1 4.115 0.006 A 39 LYS HBy H 1 1.873 0.006 A 39 LYS HBx H 1 1.500 0.006 A 39 LYS HDy H 1 1.467 0.006 A 39 LYS HDx H 1 1.244 0.006 A 39 LYS HEx H 1 2.704 0.006 A 39 LYS HEy H 1 2.782 0.006 A 39 LYS HGx H 1 1.445 0.006 A 39 LYS HGy H 1 1.671 0.006 A 39 LYS CA C 13 55.674 0.160 A 39 LYS CB C 13 31.223 0.160 A 39 LYS CD C 13 26.731 0.160 A 39 LYS CE C 13 39.773 0.160 A 39 LYS CG C 13 23.398 0.160 A 39 LYS N N 15 121.148 0.130 A 40 LEU H H 1 7.901 0.006 A 40 LEU HA H 1 5.122 0.006 A 40 LEU HBy H 1 1.561 0.006 A 40 LEU HBx H 1 0.726 0.006 A 40 LEU HDx% H 1 0.461 0.006 A 40 LEU HDy% H 1 0.468 0.006 A 40 LEU HG H 1 1.700 0.006 A 40 LEU CA C 13 50.156 0.160 A 40 LEU CB C 13 42.172 0.160 A 40 LEU CDy C 13 24.101 0.160 A 40 LEU CDx C 13 20.380 0.160 A 40 LEU CG C 13 23.843 0.160 A 40 LEU N N 15 118.817 0.130 A 41 TYR H H 1 9.109 0.006 A 41 TYR HA H 1 5.303 0.006 A 41 TYR HBy H 1 2.828 0.006 A 41 TYR HBx H 1 2.486 0.006 A 41 TYR HDx H 1 6.853 0.006 A 41 TYR HDy H 1 6.853 0.006 A 41 TYR HEx H 1 6.619 0.006 A 41 TYR HEy H 1 6.619 0.006 A 41 TYR CA C 13 53.394 0.160 A 41 TYR CB C 13 39.419 0.160 A 41 TYR CDy C 13 130.786 0.160 A 41 TYR CDx C 13 130.785 0.160 A 41 TYR CEy C 13 114.770 0.160 A 41 TYR CEx C 13 114.769 0.160 A 41 TYR N N 15 117.843 0.130 A 42 ASN H H 1 8.239 0.006 A 42 ASN HA H 1 4.984 0.006 A 42 ASN HBy H 1 3.635 0.006 A 42 ASN HBx H 1 2.806 0.006 A 42 ASN HD2y H 1 7.948 0.006 A 42 ASN HD2x H 1 7.765 0.006 A 42 ASN CA C 13 48.001 0.160 A 42 ASN CB C 13 36.514 0.160 A 42 ASN N N 15 117.689 0.130 A 42 ASN ND2 N 15 113.755 0.130 A 43 ASP H H 1 8.650 0.006 A 43 ASP HA H 1 4.170 0.006 A 43 ASP HBx H 1 2.594 0.006 A 43 ASP HBy H 1 2.702 0.006 A 43 ASP CA C 13 53.123 0.160 A 43 ASP CB C 13 37.355 0.160 A 43 ASP N N 15 116.760 0.130 A 44 LYS H H 1 7.505 0.006 A 44 LYS HA H 1 4.359 0.006 A 44 LYS HBy H 1 1.984 0.006 A 44 LYS HBx H 1 1.627 0.006 A 44 LYS HDx H 1 1.565 0.006 A 44 LYS HDy H 1 1.565 0.006 A 44 LYS HEx H 1 2.908 0.006 A 44 LYS HEy H 1 2.954 0.006 A 44 LYS HGx H 1 1.309 0.006 A 44 LYS HGy H 1 1.386 0.006 A 44 LYS CA C 13 52.676 0.160 A 44 LYS CB C 13 30.170 0.160 A 44 LYS CD C 13 26.451 0.160 A 44 LYS CE C 13 39.635 0.160 A 44 LYS CG C 13 22.270 0.160 A 44 LYS N N 15 118.108 0.130 A 45 GLY H H 1 8.117 0.006 A 45 GLY HAx H 1 3.605 0.006 A 45 GLY HAy H 1 4.080 0.006 A 45 GLY CA C 13 42.988 0.160 A 45 GLY N N 15 108.163 0.130 A 46 GLU H H 1 7.884 0.006 A 46 GLU HA H 1 4.345 0.006 A 46 GLU HBy H 1 1.967 0.006 A 46 GLU HBx H 1 1.853 0.006 A 46 GLU HGx H 1 2.128 0.006 A 46 GLU CA C 13 52.409 0.160 A 46 GLU CB C 13 27.408 0.160 A 46 GLU CG C 13 33.733 0.160 A 46 GLU N N 15 120.173 0.130 A 47 TYR H H 1 8.710 0.006 A 47 TYR HA H 1 4.351 0.006 A 47 TYR HBx H 1 2.747 0.006 A 47 TYR HBy H 1 3.078 0.006 A 47 TYR HDx H 1 6.820 0.006 A 47 TYR HDy H 1 6.820 0.006 A 47 TYR HEx H 1 6.618 0.006 A 47 TYR HEy H 1 6.618 0.006 A 47 TYR CA C 13 54.317 0.160 A 47 TYR CB C 13 35.858 0.160 A 47 TYR CDx C 13 130.448 0.160 A 47 TYR CDy C 13 130.448 0.160 A 47 TYR CEx C 13 114.769 0.160 A 47 TYR CEy C 13 114.770 0.160 A 47 TYR N N 15 123.803 0.130 A 48 ILE H H 1 8.416 0.006 A 48 ILE HA H 1 4.173 0.006 A 48 ILE HB H 1 1.827 0.006 A 48 ILE HD1% H 1 0.238 0.006 A 48 ILE HG12 H 1 0.488 0.006 A 48 ILE HG13 H 1 0.488 0.006 A 48 ILE HG2% H 1 0.693 0.006 A 48 ILE CA C 13 58.314 0.160 A 48 ILE CB C 13 36.129 0.160 A 48 ILE CD1 C 13 11.405 0.160 A 48 ILE CG1 C 13 23.447 0.160 A 48 ILE CG2 C 13 15.313 0.160 A 48 ILE N N 15 123.458 0.130 A 49 GLY H H 1 5.472 0.006 A 49 GLY HAy H 1 4.413 0.006 A 49 GLY HAx H 1 3.168 0.006 A 49 GLY CA C 13 41.367 0.160 A 49 GLY N N 15 107.257 0.130 A 50 ASP H H 1 8.234 0.006 A 50 ASP HA H 1 5.043 0.006 A 50 ASP HBx H 1 2.522 0.006 A 50 ASP HBy H 1 2.522 0.006 A 50 ASP CA C 13 50.588 0.160 A 50 ASP CB C 13 37.448 0.160 A 50 ASP N N 15 116.887 0.130 A 51 SER H H 1 7.689 0.006 A 51 SER HA H 1 4.439 0.006 A 51 SER HBx H 1 3.779 0.006 A 51 SER HBy H 1 3.837 0.006 A 51 SER CA C 13 55.489 0.160 A 51 SER CB C 13 61.559 0.160 A 51 SER N N 15 112.664 0.130 A 52 TYR H H 1 8.231 0.006 A 52 TYR HA H 1 4.732 0.006 A 52 TYR HBx H 1 2.535 0.006 A 52 TYR HBy H 1 2.575 0.006 A 52 TYR HDx H 1 6.808 0.006 A 52 TYR HDy H 1 6.808 0.006 A 52 TYR HEx H 1 6.505 0.006 A 52 TYR HEy H 1 6.538 0.006 A 52 TYR CA C 13 55.168 0.160 A 52 TYR CB C 13 38.599 0.160 A 52 TYR CDx C 13 129.728 0.160 A 52 TYR CDy C 13 129.730 0.160 A 52 TYR CEx C 13 115.289 0.160 A 52 TYR CEy C 13 115.290 0.160 A 52 TYR N N 15 122.672 0.130 A 53 SER H H 1 8.008 0.006 A 53 SER HA H 1 5.429 0.006 A 53 SER HBx H 1 3.562 0.006 A 53 SER HBy H 1 3.562 0.006 A 53 SER CA C 13 53.508 0.160 A 53 SER CB C 13 61.674 0.160 A 53 SER N N 15 123.803 0.130 A 54 ALA H H 1 8.089 0.006 A 54 ALA HA H 1 4.289 0.006 A 54 ALA HB% H 1 1.002 0.006 A 54 ALA CA C 13 49.097 0.160 A 54 ALA CB C 13 20.259 0.160 A 54 ALA N N 15 125.516 0.130 A 55 GLN H H 1 8.100 0.006 A 55 GLN HA H 1 4.975 0.006 A 55 GLN HBy H 1 1.879 0.006 A 55 GLN HBx H 1 1.747 0.006 A 55 GLN HE2x H 1 6.789 0.006 A 55 GLN HE2y H 1 7.711 0.006 A 55 GLN HGy H 1 2.321 0.006 A 55 GLN HGx H 1 2.062 0.006 A 55 GLN CA C 13 52.306 0.160 A 55 GLN CB C 13 26.138 0.160 A 55 GLN CG C 13 31.397 0.160 A 55 GLN N N 15 118.838 0.130 A 55 GLN NE2 N 15 111.128 0.130 A 56 ILE H H 1 8.910 0.006 A 56 ILE HA H 1 4.246 0.006 A 56 ILE HB H 1 1.813 0.006 A 56 ILE HD1% H 1 0.725 0.006 A 56 ILE HG1y H 1 1.402 0.006 A 56 ILE HG1x H 1 1.293 0.006 A 56 ILE HG2% H 1 0.879 0.006 A 56 ILE CA C 13 57.529 0.160 A 56 ILE CB C 13 34.915 0.160 A 56 ILE CD1 C 13 10.018 0.160 A 56 ILE CG1 C 13 24.263 0.160 A 56 ILE CG2 C 13 15.278 0.160 A 56 ILE N N 15 124.748 0.130 A 57 ARG H H 1 8.979 0.006 A 57 ARG HA H 1 4.777 0.006 A 57 ARG HBy H 1 2.082 0.006 A 57 ARG HBx H 1 1.607 0.006 A 57 ARG HDx H 1 3.135 0.006 A 57 ARG HDy H 1 3.135 0.006 A 57 ARG HGx H 1 1.534 0.006 A 57 ARG HGy H 1 1.534 0.006 A 57 ARG CA C 13 52.455 0.160 A 57 ARG CB C 13 28.839 0.160 A 57 ARG CD C 13 40.746 0.160 A 57 ARG CG C 13 25.052 0.160 A 57 ARG N N 15 127.183 0.130 A 58 THR H H 1 7.150 0.006 A 58 THR HA H 1 4.529 0.006 A 58 THR HB H 1 4.559 0.006 A 58 THR HG2% H 1 1.200 0.006 A 58 THR CA C 13 57.124 0.160 A 58 THR CB C 13 68.143 0.160 A 58 THR CG2 C 13 19.406 0.160 A 58 THR N N 15 109.995 0.130 A 59 ALA H H 1 8.531 0.006 A 59 ALA HA H 1 4.167 0.006 A 59 ALA HB% H 1 1.537 0.006 A 59 ALA CA C 13 52.603 0.160 A 59 ALA CB C 13 16.910 0.160 A 59 ALA N N 15 123.143 0.130 A 60 THR H H 1 7.521 0.006 A 60 THR HA H 1 5.471 0.006 A 60 THR HB H 1 3.952 0.006 A 60 THR HG2% H 1 1.081 0.006 A 60 THR CA C 13 56.904 0.160 A 60 THR CB C 13 69.111 0.160 A 60 THR CG2 C 13 18.695 0.160 A 60 THR N N 15 105.988 0.130 A 61 MET H H 1 8.758 0.006 A 61 MET HA H 1 4.641 0.006 A 61 MET HBx H 1 1.861 0.006 A 61 MET HBy H 1 2.022 0.006 A 61 MET HE% H 1 1.621 0.006 A 61 MET HGy H 1 2.452 0.006 A 61 MET HGx H 1 2.401 0.006 A 61 MET CA C 13 52.883 0.160 A 61 MET CB C 13 32.345 0.160 A 61 MET CE C 13 14.663 0.160 A 61 MET CG C 13 29.349 0.160 A 61 MET N N 15 124.706 0.130 A 62 SER H H 1 8.164 0.006 A 62 SER HA H 1 5.551 0.006 A 62 SER HBx H 1 3.623 0.006 A 62 SER HBy H 1 3.687 0.006 A 62 SER CA C 13 54.255 0.160 A 62 SER CB C 13 64.130 0.160 A 62 SER N N 15 117.004 0.130 A 63 CYS H H 1 8.537 0.006 A 63 CYS HA H 1 5.075 0.006 A 63 CYS HBx H 1 2.440 0.006 A 63 CYS HBy H 1 2.477 0.006 A 63 CYS CA C 13 54.676 0.160 A 63 CYS CB C 13 28.679 0.160 A 63 CYS N N 15 120.270 0.130 A 64 CYS H H 1 9.307 0.006 A 64 CYS HA H 1 5.918 0.006 A 64 CYS HBy H 1 3.164 0.006 A 64 CYS HBx H 1 2.599 0.006 A 64 CYS CA C 13 53.204 0.160 A 64 CYS CB C 13 30.216 0.160 A 64 CYS N N 15 120.868 0.130 A 65 THR H H 1 8.447 0.006 A 65 THR HA H 1 5.426 0.006 A 65 THR HB H 1 4.868 0.006 A 65 THR HG2% H 1 1.057 0.006 A 65 THR CA C 13 58.465 0.160 A 65 THR CB C 13 69.665 0.160 A 65 THR CG2 C 13 17.873 0.160 A 65 THR N N 15 109.830 0.130 A 66 ASN H H 1 9.300 0.006 A 66 ASN HA H 1 4.656 0.006 A 66 ASN HBy H 1 3.079 0.006 A 66 ASN HBx H 1 2.816 0.006 A 66 ASN HD2y H 1 7.642 0.006 A 66 ASN HD2x H 1 7.168 0.006 A 66 ASN CA C 13 49.879 0.160 A 66 ASN CB C 13 36.267 0.160 A 66 ASN N N 15 114.459 0.130 A 66 ASN ND2 N 15 112.832 0.130 A 67 GLY H H 1 8.237 0.006 A 67 GLY HAy H 1 3.813 0.006 A 67 GLY HAx H 1 3.584 0.006 A 67 GLY CA C 13 43.796 0.160 A 67 GLY N N 15 103.647 0.130 A 69 ALA H H 1 7.677 0.006 A 69 ALA HA H 1 4.244 0.006 A 69 ALA HB% H 1 1.399 0.006 A 69 ALA CA C 13 49.758 0.160 A 69 ALA CB C 13 17.376 0.160 A 69 ALA N N 15 121.911 0.130 A 70 PHE H H 1 8.549 0.006 A 70 PHE HA H 1 4.965 0.006 A 70 PHE HBy H 1 3.028 0.006 A 70 PHE HBx H 1 2.738 0.006 A 70 PHE HDx H 1 6.874 0.006 A 70 PHE HDy H 1 6.874 0.006 A 70 PHE HEx H 1 7.086 0.006 A 70 PHE HEy H 1 7.086 0.006 A 70 PHE CA C 13 53.129 0.160 A 70 PHE CB C 13 37.917 0.160 A 70 PHE CDx C 13 127.742 0.160 A 70 PHE CDy C 13 127.742 0.160 A 70 PHE CEy C 13 128.525 0.160 A 70 PHE CEx C 13 128.257 0.160 A 70 PHE N N 15 114.118 0.130 A 71 PHE H H 1 6.617 0.006 A 71 PHE HA H 1 4.247 0.006 A 71 PHE HBy H 1 3.212 0.006 A 71 PHE HBx H 1 2.817 0.006 A 71 PHE HDx H 1 6.775 0.006 A 71 PHE HDy H 1 6.775 0.006 A 71 PHE HEx H 1 7.187 0.006 A 71 PHE HEy H 1 7.187 0.006 A 71 PHE CA C 13 54.475 0.160 A 71 PHE CB C 13 38.123 0.160 A 71 PHE CDx C 13 129.115 0.160 A 71 PHE CDy C 13 129.120 0.160 A 71 PHE CEx C 13 128.900 0.160 A 71 PHE CEy C 13 128.900 0.160 A 71 PHE N N 15 110.252 0.130 A 72 MET H H 1 8.162 0.006 A 72 MET HA H 1 4.800 0.006 A 72 MET HBx H 1 1.851 0.006 A 72 MET HBy H 1 1.851 0.006 A 72 MET HE% H 1 1.722 0.006 A 72 MET HGx H 1 2.111 0.006 A 72 MET HGy H 1 2.224 0.006 A 72 MET CA C 13 53.108 0.160 A 72 MET CB C 13 35.826 0.160 A 72 MET CE C 13 15.983 0.160 A 72 MET CG C 13 30.321 0.160 A 72 MET N N 15 118.637 0.130 A 73 THR H H 1 9.220 0.006 A 73 THR HA H 1 5.018 0.006 A 73 THR HB H 1 3.991 0.006 A 73 THR HG2% H 1 1.098 0.006 A 73 THR CA C 13 58.316 0.160 A 73 THR CB C 13 69.118 0.160 A 73 THR CG2 C 13 18.722 0.160 A 73 THR N N 15 117.278 0.130 A 74 CYS H H 1 8.958 0.006 A 74 CYS HA H 1 5.076 0.006 A 74 CYS HBy H 1 2.934 0.006 A 74 CYS HBx H 1 2.456 0.006 A 74 CYS CA C 13 54.219 0.160 A 74 CYS CB C 13 27.012 0.160 A 74 CYS N N 15 124.101 0.130 A 75 ALA H H 1 8.834 0.006 A 75 ALA HA H 1 4.975 0.006 A 75 ALA HB% H 1 1.319 0.006 A 75 ALA CA C 13 47.826 0.160 A 75 ALA CB C 13 18.111 0.160 A 75 ALA N N 15 132.901 0.130 A 76 GLY H H 1 8.265 0.006 A 76 GLY HAx H 1 2.315 0.006 A 76 GLY HAy H 1 2.315 0.006 A 76 GLY CA C 13 41.784 0.160 A 76 GLY N N 15 110.691 0.130 A 77 SER H H 1 8.723 0.006 A 77 SER HA H 1 4.980 0.006 A 77 SER HBy H 1 3.533 0.006 A 77 SER HBx H 1 3.497 0.006 A 77 SER CA C 13 54.022 0.160 A 77 SER CB C 13 62.987 0.160 A 77 SER N N 15 115.145 0.130 A 78 VAL H H 1 8.963 0.006 A 78 VAL HA H 1 4.634 0.006 A 78 VAL HB H 1 1.284 0.006 A 78 VAL HGx% H 1 0.630 0.006 A 78 VAL HGy% H 1 0.226 0.006 A 78 VAL CA C 13 58.437 0.160 A 78 VAL CB C 13 32.177 0.160 A 78 VAL CGx C 13 18.237 0.160 A 78 VAL CGy C 13 18.826 0.160 A 78 VAL N N 15 124.775 0.130 A 79 SER H H 1 8.661 0.006 A 79 SER HA H 1 5.619 0.006 A 79 SER HBx H 1 3.710 0.006 A 79 SER HBy H 1 3.797 0.006 A 79 SER CA C 13 53.011 0.160 A 79 SER CB C 13 64.197 0.160 A 79 SER N N 15 118.951 0.130 A 80 SER H H 1 8.563 0.006 A 80 SER HA H 1 4.439 0.006 A 80 SER HBy H 1 3.410 0.006 A 80 SER HBx H 1 3.005 0.006 A 80 SER CA C 13 56.198 0.160 A 80 SER CB C 13 63.490 0.160 A 80 SER N N 15 114.750 0.130 A 81 ILE H H 1 8.366 0.006 A 81 ILE HA H 1 4.576 0.006 A 81 ILE HB H 1 2.082 0.006 A 81 ILE HD1% H 1 0.725 0.006 A 81 ILE HG1y H 1 1.061 0.006 A 81 ILE HG1x H 1 0.903 0.006 A 81 ILE HG2% H 1 0.842 0.006 A 81 ILE CA C 13 57.951 0.160 A 81 ILE CB C 13 36.011 0.160 A 81 ILE CD1 C 13 11.806 0.160 A 81 ILE CG1 C 13 24.013 0.160 A 81 ILE CG2 C 13 16.084 0.160 A 81 ILE N N 15 120.003 0.130 A 82 SER H H 1 8.204 0.006 A 82 SER HA H 1 4.158 0.006 A 82 SER HBy H 1 3.716 0.006 A 82 SER HBx H 1 3.566 0.006 A 82 SER CA C 13 56.910 0.160 A 82 SER CB C 13 62.055 0.160 A 82 SER N N 15 119.139 0.130 A 83 GLU H H 1 8.381 0.006 A 83 GLU HA H 1 4.133 0.006 A 83 GLU HBx H 1 1.957 0.006 A 83 GLU HBy H 1 2.018 0.006 A 83 GLU HGx H 1 2.167 0.006 A 83 GLU HGy H 1 2.167 0.006 A 83 GLU CA C 13 53.267 0.160 A 83 GLU CB C 13 27.763 0.160 A 83 GLU CG C 13 33.201 0.160 A 83 GLU N N 15 118.350 0.130 A 84 ALA H H 1 8.482 0.006 A 84 ALA HA H 1 3.542 0.006 A 84 ALA HB% H 1 1.138 0.006 A 84 ALA CA C 13 50.621 0.160 A 84 ALA CB C 13 16.540 0.160 A 84 ALA N N 15 121.665 0.130 A 85 GLY H H 1 8.078 0.006 A 85 GLY HAx H 1 3.493 0.006 A 85 GLY HAy H 1 4.209 0.006 A 85 GLY CA C 13 42.955 0.160 A 85 GLY N N 15 108.356 0.130 A 86 LYS H H 1 8.225 0.006 A 86 LYS HA H 1 4.638 0.006 A 86 LYS HBy H 1 2.060 0.006 A 86 LYS HBx H 1 1.701 0.006 A 86 LYS HDy H 1 1.533 0.006 A 86 LYS HDx H 1 1.350 0.006 A 86 LYS HGx H 1 1.311 0.006 A 86 LYS HGy H 1 1.311 0.006 A 86 LYS CA C 13 51.073 0.160 A 86 LYS CB C 13 29.750 0.160 A 86 LYS CD C 13 25.392 0.160 A 86 LYS CE C 13 37.840 0.160 A 86 LYS CG C 13 21.417 0.160 A 86 LYS N N 15 121.491 0.130 A 87 ARG H H 1 9.979 0.006 A 87 ARG HA H 1 5.673 0.006 A 87 ARG HBy H 1 1.736 0.006 A 87 ARG HBx H 1 1.647 0.006 A 87 ARG HDx H 1 3.109 0.006 A 87 ARG HDy H 1 3.109 0.006 A 87 ARG HGx H 1 1.404 0.006 A 87 ARG HGy H 1 1.527 0.006 A 87 ARG CA C 13 52.139 0.160 A 87 ARG CB C 13 32.163 0.160 A 87 ARG CD C 13 40.959 0.160 A 87 ARG CG C 13 25.113 0.160 A 87 ARG N N 15 121.874 0.130 A 88 LEU H H 1 8.756 0.006 A 88 LEU HA H 1 4.562 0.006 A 88 LEU HBy H 1 0.639 0.006 A 88 LEU HBx H 1 -0.457 0.006 A 88 LEU HDx% H 1 0.585 0.006 A 88 LEU HDy% H 1 0.177 0.006 A 88 LEU CA C 13 50.284 0.160 A 88 LEU CB C 13 42.309 0.160 A 88 LEU CDx C 13 20.636 0.160 A 88 LEU CDy C 13 24.167 0.160 A 88 LEU N N 15 125.264 0.130 A 89 HIS H H 1 8.910 0.006 A 89 HIS HA H 1 5.188 0.006 A 89 HIS HBx H 1 2.824 0.006 A 89 HIS HBy H 1 3.160 0.006 A 89 HIS HD2 H 1 6.884 0.006 A 89 HIS HE1 H 1 8.273 0.006 A 89 HIS CA C 13 51.389 0.160 A 89 HIS CB C 13 27.731 0.160 A 89 HIS CD2 C 13 116.826 0.160 A 89 HIS CE1 C 13 133.080 0.160 A 89 HIS N N 15 125.453 0.130 A 90 ILE H H 1 8.689 0.006 A 90 ILE HA H 1 5.020 0.006 A 90 ILE HB H 1 1.355 0.006 A 90 ILE HD1% H 1 0.471 0.006 A 90 ILE HG1y H 1 1.231 0.006 A 90 ILE HG1x H 1 0.869 0.006 A 90 ILE HG2% H 1 0.405 0.006 A 90 ILE CA C 13 55.642 0.160 A 90 ILE CB C 13 38.696 0.160 A 90 ILE CD1 C 13 10.675 0.160 A 90 ILE CG1 C 13 24.977 0.160 A 90 ILE CG2 C 13 14.218 0.160 A 90 ILE N N 15 126.486 0.130 A 91 THR H H 1 8.636 0.006 A 91 THR HA H 1 5.017 0.006 A 91 THR HB H 1 3.766 0.006 A 91 THR HG2% H 1 1.036 0.006 A 91 THR CA C 13 58.555 0.160 A 91 THR CB C 13 68.702 0.160 A 91 THR CG2 C 13 19.509 0.160 A 91 THR N N 15 123.200 0.130 A 92 VAL H H 1 9.162 0.006 A 92 VAL HA H 1 5.018 0.006 A 92 VAL HB H 1 1.809 0.006 A 92 VAL HGx% H 1 0.450 0.006 A 92 VAL HGy% H 1 0.499 0.006 A 92 VAL CA C 13 57.969 0.160 A 92 VAL CB C 13 31.323 0.160 A 92 VAL CGy C 13 23.260 0.160 A 92 VAL CGx C 13 18.189 0.160 A 92 VAL N N 15 127.071 0.130 A 93 ILE H H 1 9.313 0.006 A 93 ILE HA H 1 4.461 0.006 A 93 ILE HB H 1 1.458 0.006 A 93 ILE HD1% H 1 0.710 0.006 A 93 ILE HG1x H 1 0.486 0.006 A 93 ILE HG1y H 1 1.334 0.006 A 93 ILE HG2% H 1 0.365 0.006 A 93 ILE CA C 13 57.972 0.160 A 93 ILE CB C 13 38.929 0.160 A 93 ILE CD1 C 13 11.679 0.160 A 93 ILE CG1 C 13 25.962 0.160 A 93 ILE CG2 C 13 16.570 0.160 A 93 ILE N N 15 127.095 0.130 A 94 GLY H H 1 8.577 0.006 A 94 GLY HAy H 1 5.321 0.006 A 94 GLY HAx H 1 2.884 0.006 A 94 GLY CA C 13 41.781 0.160 A 94 GLY N N 15 111.893 0.130 A 95 TYR H H 1 9.640 0.006 A 95 TYR HA H 1 5.399 0.006 A 95 TYR HBy H 1 2.773 0.006 A 95 TYR HBx H 1 2.534 0.006 A 95 TYR HDx H 1 6.563 0.006 A 95 TYR HDy H 1 6.563 0.006 A 95 TYR HEx H 1 6.563 0.006 A 95 TYR HEy H 1 6.563 0.006 A 95 TYR CA C 13 54.052 0.160 A 95 TYR CB C 13 41.285 0.160 A 95 TYR CDx C 13 130.007 0.160 A 95 TYR CDy C 13 130.010 0.160 A 95 TYR CEy C 13 115.663 0.160 A 95 TYR CEx C 13 115.660 0.160 A 95 TYR N N 15 123.099 0.130 A 96 ILE H H 1 8.270 0.006 A 96 ILE HA H 1 4.208 0.006 A 96 ILE HB H 1 1.261 0.006 A 96 ILE HD1% H 1 0.795 0.006 A 96 ILE HG1y H 1 1.254 0.006 A 96 ILE HG1x H 1 -0.239 0.006 A 96 ILE HG2% H 1 0.278 0.006 A 96 ILE CA C 13 58.977 0.160 A 96 ILE CB C 13 37.245 0.160 A 96 ILE CD1 C 13 12.185 0.160 A 96 ILE CG1 C 13 23.753 0.160 A 96 ILE CG2 C 13 14.161 0.160 A 96 ILE N N 15 116.705 0.130 A 97 ASP H H 1 9.849 0.006 A 97 ASP HA H 1 4.165 0.006 A 97 ASP HBx H 1 2.776 0.006 A 97 ASP HBy H 1 2.776 0.006 A 97 ASP CA C 13 53.736 0.160 A 97 ASP CB C 13 36.870 0.160 A 97 ASP N N 15 130.442 0.130 A 98 ASP H H 1 8.355 0.006 A 98 ASP HA H 1 4.694 0.006 A 98 ASP HBy H 1 2.904 0.006 A 98 ASP HBx H 1 2.735 0.006 A 98 ASP CB C 13 36.266 0.160 A 98 ASP N N 15 114.957 0.130 A 99 LYS H H 1 8.049 0.006 A 99 LYS HA H 1 4.590 0.006 A 99 LYS HBx H 1 1.782 0.006 A 99 LYS HBy H 1 1.835 0.006 A 99 LYS HDx H 1 1.631 0.006 A 99 LYS HDy H 1 1.631 0.006 A 99 LYS HEx H 1 2.955 0.006 A 99 LYS HEy H 1 2.955 0.006 A 99 LYS HGy H 1 1.406 0.006 A 99 LYS HGx H 1 1.293 0.006 A 99 LYS CA C 13 52.354 0.160 A 99 LYS CB C 13 30.958 0.160 A 99 LYS CD C 13 26.576 0.160 A 99 LYS CE C 13 39.756 0.160 A 99 LYS CG C 13 22.181 0.160 A 99 LYS N N 15 121.680 0.130 A 100 GLU H H 1 8.839 0.006 A 100 GLU HA H 1 3.804 0.006 A 100 GLU HBx H 1 1.649 0.006 A 100 GLU HBy H 1 1.772 0.006 A 100 GLU HGy H 1 1.864 0.006 A 100 GLU HGx H 1 1.656 0.006 A 100 GLU CA C 13 54.562 0.160 A 100 GLU CB C 13 26.808 0.160 A 100 GLU CG C 13 33.360 0.160 A 100 GLU N N 15 127.574 0.130 A 101 VAL H H 1 8.997 0.006 A 101 VAL HA H 1 4.534 0.006 A 101 VAL HB H 1 2.246 0.006 A 101 VAL HGx% H 1 0.680 0.006 A 101 VAL HGy% H 1 0.901 0.006 A 101 VAL CA C 13 58.379 0.160 A 101 VAL CB C 13 31.223 0.160 A 101 VAL CGx C 13 16.145 0.160 A 101 VAL CGy C 13 18.640 0.160 A 101 VAL N N 15 120.606 0.130 A 102 ASN H H 1 7.598 0.006 A 102 ASN HA H 1 4.782 0.006 A 102 ASN HBy H 1 2.760 0.006 A 102 ASN HBx H 1 2.362 0.006 A 102 ASN HD2x H 1 6.690 0.006 A 102 ASN HD2y H 1 7.564 0.006 A 102 ASN CA C 13 50.154 0.160 A 102 ASN CB C 13 38.848 0.160 A 102 ASN N N 15 118.568 0.130 A 102 ASN ND2 N 15 110.650 0.130 A 103 ARG H H 1 8.155 0.006 A 103 ARG HA H 1 5.051 0.006 A 103 ARG HBy H 1 1.929 0.006 A 103 ARG HBx H 1 1.531 0.006 A 103 ARG CA C 13 52.900 0.160 A 103 ARG CB C 13 31.710 0.160 A 103 ARG CG C 13 25.168 0.160 A 103 ARG N N 15 120.366 0.130 A 104 LEU H H 1 9.271 0.006 A 104 LEU HA H 1 4.553 0.006 A 104 LEU HBx H 1 1.350 0.006 A 104 LEU HBy H 1 1.350 0.006 A 104 LEU HDx% H 1 0.858 0.006 A 104 LEU HDy% H 1 0.818 0.006 A 104 LEU HG H 1 1.130 0.006 A 104 LEU CA C 13 51.272 0.160 A 104 LEU CB C 13 43.549 0.160 A 104 LEU CDx C 13 20.243 0.160 A 104 LEU CDy C 13 22.029 0.160 A 104 LEU CG C 13 24.966 0.160 A 104 LEU N N 15 128.859 0.130 A 105 GLU H H 1 8.346 0.006 A 105 GLU HA H 1 5.179 0.006 A 105 GLU HBy H 1 1.779 0.006 A 105 GLU HBx H 1 1.726 0.006 A 105 GLU HGx H 1 2.132 0.006 A 105 GLU HGy H 1 2.206 0.006 A 105 GLU CA C 13 51.966 0.160 A 105 GLU CB C 13 29.358 0.160 A 105 GLU CG C 13 32.843 0.160 A 105 GLU N N 15 125.663 0.130 A 106 LYS H H 1 8.526 0.006 A 106 LYS HA H 1 4.281 0.006 A 106 LYS HBy H 1 1.149 0.006 A 106 LYS HBx H 1 0.976 0.006 A 106 LYS HEx H 1 2.771 0.006 A 106 LYS HEy H 1 2.771 0.006 A 106 LYS HGx H 1 0.958 0.006 A 106 LYS HGy H 1 0.958 0.006 A 106 LYS CA C 13 51.118 0.160 A 106 LYS CB C 13 34.761 0.160 A 106 LYS CD C 13 25.870 0.160 A 106 LYS CE C 13 39.745 0.160 A 106 LYS CG C 13 21.719 0.160 A 106 LYS N N 15 123.659 0.130 A 107 GLU H H 1 7.773 0.006 A 107 GLU HA H 1 4.949 0.006 A 107 GLU HBy H 1 1.770 0.006 A 107 GLU HBx H 1 1.623 0.006 A 107 GLU HGx H 1 1.912 0.006 A 107 GLU HGy H 1 1.912 0.006 A 107 GLU CA C 13 51.404 0.160 A 107 GLU CB C 13 29.906 0.160 A 107 GLU CG C 13 33.695 0.160 A 107 GLU N N 15 121.917 0.130 A 108 TYR H H 1 9.031 0.006 A 108 TYR HA H 1 4.720 0.006 A 108 TYR HBy H 1 2.802 0.006 A 108 TYR HBx H 1 2.347 0.006 A 108 TYR HDx H 1 6.735 0.006 A 108 TYR HDy H 1 6.735 0.006 A 108 TYR HEx H 1 6.326 0.006 A 108 TYR HEy H 1 6.326 0.006 A 108 TYR CA C 13 54.188 0.160 A 108 TYR CB C 13 39.101 0.160 A 108 TYR CDy C 13 129.950 0.160 A 108 TYR CDx C 13 129.948 0.160 A 108 TYR CEx C 13 114.860 0.160 A 108 TYR CEy C 13 114.864 0.160 A 108 TYR N N 15 124.981 0.130 A 109 ILE H H 1 8.475 0.006 A 109 ILE HA H 1 5.471 0.006 A 109 ILE HB H 1 1.650 0.006 A 109 ILE HD1% H 1 0.788 0.006 A 109 ILE HG1x H 1 0.977 0.006 A 109 ILE HG1y H 1 1.420 0.006 A 109 ILE HG2% H 1 0.850 0.006 A 109 ILE CA C 13 56.592 0.160 A 109 ILE CB C 13 38.728 0.160 A 109 ILE CD1 C 13 11.461 0.160 A 109 ILE CG1 C 13 25.386 0.160 A 109 ILE CG2 C 13 14.379 0.160 A 109 ILE N N 15 121.680 0.130 A 110 THR H H 1 9.180 0.006 A 110 THR HA H 1 4.521 0.006 A 110 THR HB H 1 4.630 0.006 A 110 THR HG2% H 1 0.985 0.006 A 110 THR CA C 13 59.337 0.160 A 110 THR CB C 13 67.143 0.160 A 110 THR CG2 C 13 21.797 0.160 A 110 THR N N 15 117.537 0.130 A 111 ASP H H 1 9.342 0.006 A 111 ASP HA H 1 4.721 0.006 A 111 ASP HBy H 1 3.067 0.006 A 111 ASP HBx H 1 2.551 0.006 A 111 ASP CA C 13 50.135 0.160 A 111 ASP CB C 13 39.613 0.160 A 111 ASP N N 15 122.428 0.130 A 112 GLY H H 1 8.333 0.006 A 112 GLY HAx H 1 3.652 0.006 A 112 GLY HAy H 1 4.421 0.006 A 112 GLY CA C 13 43.084 0.160 A 112 GLY N N 15 110.714 0.130 A 113 ASN H H 1 8.210 0.006 A 113 ASN HA H 1 4.926 0.006 A 113 ASN HBx H 1 2.807 0.006 A 113 ASN HBy H 1 2.905 0.006 A 113 ASN HD2y H 1 7.551 0.006 A 113 ASN HD2x H 1 6.864 0.006 A 113 ASN CA C 13 49.373 0.160 A 113 ASN CB C 13 37.377 0.160 A 113 ASN N N 15 119.462 0.130 A 113 ASN ND2 N 15 115.479 0.130 A 114 THR H H 1 8.436 0.006 A 114 THR HA H 1 4.136 0.006 A 114 THR HB H 1 3.978 0.006 A 114 THR HG2% H 1 1.092 0.006 A 114 THR CA C 13 62.066 0.160 A 114 THR CB C 13 66.489 0.160 A 114 THR CG2 C 13 19.405 0.160 A 114 THR N N 15 117.962 0.130 A 115 LEU H H 1 8.789 0.006 A 115 LEU HA H 1 4.607 0.006 A 115 LEU HBx H 1 1.588 0.006 A 115 LEU HBy H 1 1.808 0.006 A 115 LEU HDx% H 1 0.663 0.006 A 115 LEU HDy% H 1 0.996 0.006 A 115 LEU CA C 13 52.335 0.160 A 115 LEU CB C 13 41.546 0.160 A 115 LEU CDx C 13 23.670 0.160 A 115 LEU CDy C 13 24.265 0.160 A 115 LEU N N 15 132.998 0.130 A 116 ILE H H 1 8.637 0.006 A 116 ILE HA H 1 4.784 0.006 A 116 ILE HB H 1 1.729 0.006 A 116 ILE HD1% H 1 0.744 0.006 A 116 ILE HG1x H 1 1.023 0.006 A 116 ILE HG1y H 1 1.280 0.006 A 116 ILE HG2% H 1 0.753 0.006 A 116 ILE CA C 13 58.270 0.160 A 116 ILE CB C 13 37.909 0.160 A 116 ILE CD1 C 13 11.140 0.160 A 116 ILE CG1 C 13 25.571 0.160 A 116 ILE CG2 C 13 14.515 0.160 A 116 ILE N N 15 126.586 0.130 A 117 GLU H H 1 8.933 0.006 A 117 GLU HA H 1 4.830 0.006 A 117 GLU HBx H 1 1.424 0.006 A 117 GLU HBy H 1 2.303 0.006 A 117 GLU HGy H 1 2.360 0.006 A 117 GLU HGx H 1 2.232 0.006 A 117 GLU CA C 13 51.847 0.160 A 117 GLU CB C 13 32.299 0.160 A 117 GLU CG C 13 33.647 0.160 A 117 GLU N N 15 127.084 0.130 A 118 THR H H 1 8.664 0.006 A 118 THR HA H 1 5.190 0.006 A 118 THR HB H 1 4.256 0.006 A 118 THR HG2% H 1 1.035 0.006 A 118 THR CA C 13 57.036 0.160 A 118 THR CB C 13 69.888 0.160 A 118 THR CG2 C 13 19.044 0.160 A 118 THR N N 15 110.826 0.130 A 119 PHE H H 1 8.087 0.006 A 119 PHE HA H 1 4.999 0.006 A 119 PHE HBx H 1 2.956 0.006 A 119 PHE HBy H 1 2.956 0.006 A 119 PHE HDx H 1 6.744 0.006 A 119 PHE HDy H 1 6.744 0.006 A 119 PHE HEx H 1 6.831 0.006 A 119 PHE HEy H 1 6.831 0.006 A 119 PHE HZ H 1 6.622 0.006 A 119 PHE CA C 13 53.804 0.160 A 119 PHE CB C 13 39.787 0.160 A 119 PHE CDx C 13 129.750 0.160 A 119 PHE CDy C 13 129.753 0.160 A 119 PHE CEx C 13 127.492 0.160 A 119 PHE CEy C 13 127.494 0.160 A 119 PHE CZ C 13 125.545 0.160 A 119 PHE N N 15 115.915 0.130 A 120 SER H H 1 8.627 0.006 A 120 SER HA H 1 5.383 0.006 A 120 SER HBx H 1 3.724 0.006 A 120 SER HBy H 1 3.724 0.006 A 120 SER CA C 13 55.192 0.160 A 120 SER CB C 13 62.113 0.160 A 120 SER N N 15 114.953 0.130 A 121 VAL H H 1 8.866 0.006 A 121 VAL HA H 1 4.349 0.006 A 121 VAL HB H 1 1.788 0.006 A 121 VAL HGx% H 1 0.857 0.006 A 121 VAL HGy% H 1 0.667 0.006 A 121 VAL CA C 13 59.005 0.160 A 121 VAL CB C 13 34.127 0.160 A 121 VAL CGy C 13 20.188 0.160 A 121 VAL CGx C 13 17.776 0.160 A 121 VAL N N 15 124.122 0.130 A 122 SER H H 1 8.334 0.006 A 122 SER HA H 1 5.598 0.006 A 122 SER HBx H 1 3.782 0.006 A 122 SER HBy H 1 3.832 0.006 A 122 SER CA C 13 53.065 0.160 A 122 SER CB C 13 63.442 0.160 A 122 SER N N 15 119.703 0.130 A 123 THR H H 1 8.898 0.006 A 123 THR HA H 1 4.093 0.006 A 123 THR HB H 1 4.480 0.006 A 123 THR HG2% H 1 1.124 0.006 A 123 THR CA C 13 60.143 0.160 A 123 THR CB C 13 64.437 0.160 A 123 THR CG2 C 13 21.636 0.160 A 123 THR N N 15 113.276 0.130 A 124 LYS H H 1 7.569 0.006 A 124 LYS HA H 1 4.324 0.006 A 124 LYS HBx H 1 1.574 0.006 A 124 LYS HBy H 1 1.690 0.006 A 124 LYS HDx H 1 1.409 0.006 A 124 LYS HDy H 1 1.409 0.006 A 124 LYS HEy H 1 2.608 0.006 A 124 LYS HEx H 1 2.572 0.006 A 124 LYS HGx H 1 1.276 0.006 A 124 LYS HGy H 1 1.276 0.006 A 124 LYS CA C 13 53.486 0.160 A 124 LYS CB C 13 32.376 0.160 A 124 LYS CD C 13 26.634 0.160 A 124 LYS CE C 13 39.561 0.160 A 124 LYS CG C 13 22.320 0.160 A 124 LYS N N 15 119.191 0.130 A 125 GLU H H 1 8.359 0.006 A 125 GLU HA H 1 4.255 0.006 A 125 GLU HBy H 1 1.858 0.006 A 125 GLU HGx H 1 2.215 0.006 A 125 GLU HGy H 1 2.215 0.006 A 125 GLU CA C 13 53.830 0.160 A 125 GLU CB C 13 27.674 0.160 A 125 GLU CG C 13 33.788 0.160 A 125 GLU N N 15 124.243 0.130 A 126 ILE H H 1 7.674 0.006 A 126 ILE HA H 1 3.958 0.006 A 126 ILE HB H 1 1.666 0.006 A 126 ILE HD1% H 1 0.640 0.006 A 126 ILE HG1x H 1 0.920 0.006 A 126 ILE HG1y H 1 1.205 0.006 A 126 ILE CA C 13 60.011 0.160 A 126 ILE CB C 13 37.158 0.160 A 126 ILE CD1 C 13 10.979 0.160 A 126 ILE CG1 C 13 24.635 0.160 A 126 ILE N N 15 126.888 0.130 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 66 ASN HA A 67 GLY HAx 1.0 . 4.92 2 2 A 9 ILE HG1y A 67 GLY HAy 1.0 . 4.32 3 3 A 67 GLY HAx A 9 ILE HG1y 1.0 . 4.21 4 4 A 103 ARG HA A 104 LEU HBx 1.0 . 4.37 5 4 A 103 ARG HA A 104 LEU HBy 1.0 . 4.37 6 5 A 104 LEU HBx A 104 LEU HDy% 1.0 . 3.46 7 5 A 104 LEU HBy A 104 LEU HDy% 1.0 . 3.46 8 5 A 104 LEU HDx% A 104 LEU HBx 1.0 . 3.46 9 5 A 104 LEU HBy A 104 LEU HDx% 1.0 . 3.46 10 6 A 92 VAL HGx% A 104 LEU HBx 1.0 . 3.62 11 6 A 104 LEU HBy A 92 VAL HGx% 1.0 . 3.62 12 7 A 31 GLY HAy A 32 ALA HB% 1.0 . 4.48 13 8 A 111 ASP H A 112 GLY HAx 1.0 . 5.08 14 9 A 112 GLY HAx A 84 ALA HB% 1.0 . 4.58 15 10 A 44 LYS H A 45 GLY HAx 1.0 . 4.39 16 11 A 85 GLY HAy A 109 ILE HG2% 1.0 . 4.74 17 12 A 84 ALA HB% A 85 GLY HAy 1.0 . 5.28 18 13 A 112 GLY HAx A 84 ALA H 1.0 . 4.34 19 14 A 45 GLY HAx A 41 TYR HBx 1.0 . 4.44 20 15 A 84 ALA HB% A 85 GLY HAx 1.0 . 5.21 21 16 A 35 GLY HAy A 34 LYS HGx 1.0 . 5.18 22 16 A 34 LYS HGy A 35 GLY HAy 1.0 . 5.18 23 17 A 35 GLY HAx A 34 LYS HGx 1.0 . 4.94 24 17 A 34 LYS HGy A 35 GLY HAx 1.0 . 4.94 25 18 A 88 LEU HBy A 115 LEU HDy% 1.0 . 4.79 26 19 A 88 LEU HBy A 108 TYR HBy 1.0 . 4.69 27 20 A 88 LEU HBy A 108 TYR HBx 1.0 . 4.13 28 21 A 88 LEU HBy A 88 LEU HDy% 1.0 . 3.90 29 22 A 115 LEU HDy% A 88 LEU HBx 1.0 . 4.53 30 23 A 29 ILE HA A 30 GLY HAx 1.0 . 4.69 31 24 A 30 GLY HAx A 40 LEU HDx% 1.0 . 4.13 32 25 A 20 THR HA A 23 PHE HBx 1.0 . 4.98 33 25 A 20 THR HA A 23 PHE HBy 1.0 . 4.98 34 26 A 40 LEU HBy A 40 LEU HDx% 1.0 . 3.59 35 27 A 40 LEU HBy A 48 ILE HD1% 1.0 . 4.80 36 28 A 40 LEU HBx A 63 CYS HBy 1.0 . 5.02 37 29 A 40 LEU HBy A 48 ILE H 1.0 . 5.26 38 30 A 94 GLY HAy A 95 TYR HE% 1.0 . 4.70 39 30 A 94 GLY HAy A 95 TYR HD% 1.0 . 4.70 40 31 A 94 GLY HAy A 12 ILE HD1% 1.0 . 4.23 41 32 A 94 GLY HAy A 93 ILE HA 1.0 . 5.12 42 33 A 94 GLY HAy A 13 VAL H 1.0 . 5.17 43 34 A 94 GLY HAx A 102 ASN H 1.0 . 4.79 44 35 A 93 ILE HA A 94 GLY HAx 1.0 . 4.58 45 36 A 94 GLY HAx A 95 TYR H 1.0 . 3.45 46 37 A 12 ILE HD1% A 94 GLY HAx 1.0 . 4.02 47 38 A 13 VAL H A 94 GLY HAx 1.0 . 5.02 48 39 A 94 GLY HAx A 12 ILE HG1x 1.0 . 5.16 49 40 A 26 SER H A 76 GLY HAx 1.0 . 5.11 50 40 A 26 SER H A 76 GLY HAy 1.0 . 5.11 51 41 A 77 SER H A 76 GLY HAx 1.0 . 3.29 52 41 A 76 GLY HAy A 77 SER H 1.0 . 3.29 53 42 A 27 VAL HA A 76 GLY HAx 1.0 . 3.76 54 42 A 76 GLY HAy A 27 VAL HA 1.0 . 3.76 55 43 A 77 SER HA A 76 GLY HAx 1.0 . 4.45 56 43 A 76 GLY HAy A 77 SER HA 1.0 . 4.45 57 44 A 27 VAL HG1% A 76 GLY HAx 1.0 . 4.15 58 44 A 27 VAL HG2% A 76 GLY HAx 1.0 . 4.15 59 44 A 76 GLY HAy A 27 VAL HG1% 1.0 . 4.15 60 44 A 76 GLY HAy A 27 VAL HG2% 1.0 . 4.15 61 45 A 27 VAL HB A 76 GLY HAx 1.0 . 4.76 62 45 A 76 GLY HAy A 27 VAL HB 1.0 . 4.76 63 46 A 75 ALA HA A 76 GLY HAx 1.0 . 4.44 64 46 A 76 GLY HAy A 75 ALA HA 1.0 . 4.44 65 47 A 49 GLY HAy A 51 SER H 1.0 . 4.45 66 48 A 94 GLY HAx A 95 TYR HE% 1.0 . 5.33 67 48 A 95 TYR HD% A 94 GLY HAx 1.0 . 5.33 68 49 A 79 SER HA A 115 LEU HBy 1.0 . 5.05 69 50 A 18 GLY HAy A 20 THR H 1.0 . 5.36 70 51 A 49 GLY HAx A 52 TYR HEy 1.0 . 4.90 71 52 A 115 LEU HBy A 80 SER HBy 1.0 . 5.08 72 53 A 115 LEU HBy A 80 SER H 1.0 . 4.07 73 54 A 115 LEU HBy A 80 SER HBx 1.0 . 4.36 74 55 A 80 SER HBx A 115 LEU HBx 1.0 . 4.27 75 56 A 11 LYS HBy A 95 TYR HBy 1.0 . 3.92 76 57 A 11 LYS HBy A 95 TYR HBx 1.0 . 4.90 77 58 A 33 ASP H A 36 GLY HAx 1.0 . 4.96 78 59 A 32 ALA HB% A 36 GLY HAx 1.0 . 5.42 79 60 A 95 TYR H A 95 TYR HBy 1.0 . 4.18 80 61 A 87 ARG H A 87 ARG HDx 1.0 . 5.14 81 61 A 87 ARG H A 87 ARG HDy 1.0 . 5.14 82 62 A 87 ARG HA A 87 ARG HDx 1.0 . 5.14 83 62 A 87 ARG HDy A 87 ARG HA 1.0 . 5.14 84 63 A 109 ILE HG1x A 87 ARG HDx 1.0 . 5.16 85 63 A 87 ARG HDy A 109 ILE HG1x 1.0 . 5.16 86 64 A 33 ASP HBy A 69 ALA HB% 1.0 . 4.76 87 65 A 57 ARG H A 57 ARG HDx 1.0 . 4.95 88 65 A 57 ARG H A 57 ARG HDy 1.0 . 4.95 89 66 A 55 GLN HE2x A 57 ARG HDx 1.0 . 5.36 90 66 A 57 ARG HDy A 55 GLN HE2x 1.0 . 5.36 91 67 A 33 ASP HBx A 70 PHE H 1.0 . 5.20 92 68 A 58 THR H A 57 ARG HDx 1.0 . 4.43 93 68 A 57 ARG HDy A 58 THR H 1.0 . 4.43 94 69 A 57 ARG HBy A 57 ARG HDx 1.0 . 3.58 95 69 A 57 ARG HDy A 57 ARG HBy 1.0 . 3.58 96 70 A 99 LYS HGx A 99 LYS HEx 1.0 . 4.04 97 70 A 99 LYS HGx A 99 LYS HEy 1.0 . 4.04 98 71 A 44 LYS HGy A 44 LYS HEy 1.0 . 3.91 99 72 A 39 LYS HA A 39 LYS HEx 1.0 . 5.07 100 73 A 121 VAL HGx% A 119 PHE HBx 1.0 . 4.37 101 73 A 119 PHE HBy A 121 VAL HGx% 1.0 . 4.37 102 74 A 34 LYS HEx A 70 PHE HE% 1.0 . 5.18 103 75 A 34 LYS HEx A 34 LYS HGx 1.0 . 3.11 104 75 A 34 LYS HGy A 34 LYS HEx 1.0 . 3.11 105 76 A 107 GLU H A 106 LYS HEx 1.0 . 4.70 106 76 A 106 LYS HEy A 107 GLU H 1.0 . 4.70 107 77 A 108 TYR HE% A 106 LYS HEx 1.0 . 4.54 108 77 A 106 LYS HEy A 108 TYR HE% 1.0 . 4.54 109 78 A 106 LYS HEx A 106 LYS HGx 1.0 . 3.43 110 78 A 106 LYS HEy A 106 LYS HGx 1.0 . 3.43 111 78 A 106 LYS HGy A 106 LYS HEx 1.0 . 3.43 112 78 A 106 LYS HEy A 106 LYS HGy 1.0 . 3.43 113 79 A 104 LEU HDx% A 106 LYS HEx 1.0 . 3.50 114 79 A 104 LEU HDy% A 106 LYS HEx 1.0 . 3.50 115 79 A 106 LYS HEy A 104 LEU HDy% 1.0 . 3.50 116 79 A 104 LEU HDx% A 106 LYS HEy 1.0 . 3.50 117 80 A 110 THR HA A 111 ASP HBx 1.0 . 5.42 118 81 A 95 TYR HD% A 99 LYS HEx 1.0 . 5.50 119 81 A 95 TYR HE% A 99 LYS HEx 1.0 . 5.50 120 81 A 99 LYS HEy A 95 TYR HE% 1.0 . 5.50 121 81 A 95 TYR HD% A 99 LYS HEy 1.0 . 5.50 122 82 A 44 LYS HEx A 44 LYS HDx 1.0 . 2.82 123 82 A 44 LYS HDy A 44 LYS HEx 1.0 . 2.82 124 83 A 45 GLY HAx A 41 TYR HBy 1.0 . 5.26 125 84 A 41 TYR HBy A 42 ASN H 1.0 . 4.31 126 85 A 124 LYS HEy A 124 LYS HGx 1.0 . 3.81 127 85 A 124 LYS HGy A 124 LYS HEy 1.0 . 3.81 128 86 A 41 TYR HBx A 64 CYS H 1.0 . 4.89 129 87 A 41 TYR HBx A 45 GLY HAy 1.0 . 5.32 130 88 A 41 TYR HBx A 46 GLU H 1.0 . 5.26 131 89 A 41 TYR HBx A 42 ASN H 1.0 . 3.96 132 90 A 41 TYR HBx A 47 TYR HA 1.0 . 5.48 133 91 A 29 ILE HB A 54 ALA H 1.0 . 5.01 134 92 A 29 ILE HB A 28 SER HA 1.0 . 4.52 135 93 A 29 ILE HB A 40 LEU HDx% 1.0 . 4.51 136 94 A 108 TYR HBy A 108 TYR H 1.0 . 4.16 137 95 A 108 TYR HBy A 88 LEU HBx 1.0 . 4.97 138 96 A 101 VAL HGx% A 102 ASN HBy 1.0 . 3.85 139 97 A 102 ASN HBy A 102 ASN HD2y 1.0 . 3.61 140 98 A 48 ILE HD1% A 52 TYR HBy 1.0 . 4.97 141 99 A 52 TYR H A 52 TYR HBx 1.0 . 3.95 142 100 A 102 ASN HD2y A 102 ASN HBx 1.0 . 3.57 143 101 A 102 ASN HBx A 121 VAL HGy% 1.0 . 3.68 144 102 A 109 ILE H A 109 ILE HB 1.0 . 3.43 145 103 A 13 VAL H A 12 ILE HB 1.0 . 4.46 146 104 A 12 ILE HB A 74 CYS HBx 1.0 . 4.55 147 105 A 14 ILE HB A 61 MET HGy 1.0 . 4.23 148 106 A 93 ILE HB A 94 GLY H 1.0 . 4.81 149 107 A 93 ILE HB A 95 TYR HE% 1.0 . 3.52 150 107 A 95 TYR HD% A 93 ILE HB 1.0 . 3.52 151 108 A 93 ILE HB A 92 VAL HA 1.0 . 4.76 152 109 A 93 ILE HB A 13 VAL HB 1.0 . 3.60 153 110 A 108 TYR HBy A 88 LEU HDy% 1.0 . 5.50 154 111 A 52 TYR HBy A 51 SER HA 1.0 . 5.22 155 112 A 52 TYR HBy A 52 TYR H 1.0 . 3.94 156 113 A 52 TYR HBy A 53 SER H 1.0 . 4.70 157 114 A 52 TYR HBx A 29 ILE H 1.0 . 5.24 158 115 A 52 TYR HBx A 29 ILE HD1% 1.0 . 5.33 159 116 A 48 ILE HD1% A 52 TYR HBx 1.0 . 4.95 160 117 A 108 TYR HBx A 107 GLU HA 1.0 . 5.50 161 118 A 108 TYR HBx A 88 LEU HDy% 1.0 . 4.85 162 119 A 108 TYR HBx A 88 LEU HBx 1.0 . 4.58 163 120 A 87 ARG HA A 109 ILE HB 1.0 . 5.02 164 121 A 109 ILE HB A 108 TYR HA 1.0 . 4.83 165 122 A 109 ILE HB A 110 THR H 1.0 . 4.59 166 123 A 14 ILE HB A 61 MET HBy 1.0 . 4.84 167 124 A 14 ILE HB A 14 ILE HD1% 1.0 . 3.59 168 125 A 14 ILE HB A 13 VAL HA 1.0 . 4.80 169 126 A 90 ILE H A 90 ILE HB 1.0 . 3.33 170 127 A 108 TYR HE% A 90 ILE HB 1.0 . 3.86 171 128 A 90 ILE HB A 89 HIS HA 1.0 . 4.80 172 129 A 88 LEU HDy% A 90 ILE HB 1.0 . 5.10 173 130 A 90 ILE HB A 108 TYR HD% 1.0 . 5.08 174 131 A 90 ILE HB A 16 GLN HA 1.0 . 5.50 175 132 A 71 PHE HBy A 72 MET H 1.0 . 4.34 176 133 A 71 PHE HBy A 124 LYS HBy 1.0 . 4.77 177 134 A 71 PHE HBy A 124 LYS HBx 1.0 . 4.63 178 135 A 20 THR H A 19 ASP HBx 1.0 . 4.62 179 136 A 71 PHE HBx A 124 LYS HGx 1.0 . 5.50 180 136 A 124 LYS HGy A 71 PHE HBx 1.0 . 5.50 181 137 A 72 MET H A 71 PHE HBx 1.0 . 3.89 182 138 A 79 SER HA A 116 ILE HB 1.0 . 5.10 183 139 A 70 PHE HBy A 71 PHE H 1.0 . 4.30 184 140 A 70 PHE H A 70 PHE HBy 1.0 . 4.08 185 141 A 19 ASP HBy A 86 LYS HDy 1.0 . 5.37 186 142 A 87 ARG H A 19 ASP HBy 1.0 . 4.18 187 143 A 19 ASP HBy A 86 LYS HA 1.0 . 4.99 188 144 A 19 ASP HBy A 86 LYS HBx 1.0 . 4.62 189 145 A 19 ASP HBy A 86 LYS HDx 1.0 . 4.63 190 146 A 19 ASP HBy A 19 ASP H 1.0 . 3.97 191 147 A 20 THR H A 19 ASP HBy 1.0 . 5.40 192 148 A 19 ASP HBx A 19 ASP H 1.0 . 3.88 193 149 A 87 ARG H A 19 ASP HBx 1.0 . 4.12 194 150 A 19 ASP HBx A 86 LYS HBy 1.0 . 4.91 195 151 A 19 ASP HBx A 86 LYS HBx 1.0 . 4.34 196 152 A 19 ASP HBx A 86 LYS HDx 1.0 . 4.43 197 153 A 71 PHE H A 70 PHE HBx 1.0 . 4.06 198 154 A 116 ILE HB A 117 GLU H 1.0 . 4.45 199 155 A 116 ILE HB A 115 LEU HA 1.0 . 4.77 200 156 A 116 ILE HB A 79 SER HBx 1.0 . 5.50 201 157 A 116 ILE HB A 116 ILE H 1.0 . 3.58 202 158 A 70 PHE H A 70 PHE HBx 1.0 . 3.06 203 159 A 22 SER H A 21 ASP HBx 1.0 . 4.13 204 159 A 21 ASP HBy A 22 SER H 1.0 . 4.13 205 160 A 21 ASP HA A 21 ASP HBx 1.0 . 2.90 206 160 A 21 ASP HBy A 21 ASP HA 1.0 . 2.90 207 161 A 37 PRO HBx A 50 ASP HBx 1.0 . 3.69 208 161 A 37 PRO HBx A 50 ASP HBy 1.0 . 3.69 209 162 A 116 ILE HB A 114 THR HB 1.0 . 5.05 210 163 A 39 LYS HA A 50 ASP HBx 1.0 . 4.48 211 163 A 39 LYS HA A 50 ASP HBy 1.0 . 4.48 212 164 A 113 ASN HBy A 114 THR HA 1.0 . 5.22 213 165 A 113 ASN HBy A 114 THR H 1.0 . 3.78 214 166 A 113 ASN H A 113 ASN HBx 1.0 . 3.51 215 167 A 113 ASN HBx A 113 ASN HD2y 1.0 . 3.61 216 168 A 42 ASN HBy A 43 ASP HBx 1.0 . 4.55 217 169 A 44 LYS H A 43 ASP HBx 1.0 . 4.91 218 170 A 95 TYR HA A 96 ILE HB 1.0 . 5.04 219 171 A 96 ILE HB A 96 ILE HD1% 1.0 . 3.50 220 172 A 96 ILE HB A 123 THR HB 1.0 . 5.15 221 173 A 96 ILE HB A 99 LYS HBx 1.0 . 5.20 222 174 A 5 PHE HBx A 6 GLN H 1.0 . 4.43 223 175 A 126 ILE H A 126 ILE HB 1.0 . 3.64 224 176 A 42 ASN HBy A 42 ASN HD2x 1.0 . 4.02 225 177 A 42 ASN HD2x A 42 ASN HBx 1.0 . 3.90 226 178 A 42 ASN HBx A 43 ASP H 1.0 . 3.60 227 179 A 66 ASN H A 66 ASN HBy 1.0 . 4.19 228 180 A 98 ASP H A 98 ASP HBy 1.0 . 3.91 229 181 A 66 ASN H A 66 ASN HBx 1.0 . 4.16 230 182 A 98 ASP H A 98 ASP HBx 1.0 . 3.95 231 183 A 48 ILE HB A 52 TYR HD% 1.0 . 4.72 232 184 A 52 TYR HEy A 48 ILE HB 1.0 . 5.02 233 185 A 48 ILE HB A 49 GLY H 1.0 . 4.61 234 186 A 81 ILE HB A 82 SER HA 1.0 . 4.95 235 187 A 41 TYR HE% A 47 TYR HBy 1.0 . 3.96 236 188 A 81 ILE HB A 82 SER H 1.0 . 4.90 237 189 A 73 THR H A 72 MET HBx 1.0 . 3.86 238 189 A 72 MET HBy A 73 THR H 1.0 . 3.86 239 190 A 47 TYR HBy A 47 TYR H 1.0 . 3.54 240 191 A 41 TYR HE% A 47 TYR HBx 1.0 . 4.57 241 192 A 72 MET H A 72 MET HBx 1.0 . 3.84 242 192 A 72 MET H A 72 MET HBy 1.0 . 3.84 243 193 A 31 GLY HAx A 72 MET HBx 1.0 . 4.56 244 193 A 72 MET HBy A 31 GLY HAx 1.0 . 4.56 245 194 A 10 HIS HBx A 72 MET HBx 1.0 . 3.52 246 194 A 72 MET HBy A 10 HIS HBx 1.0 . 3.52 247 195 A 9 ILE HB A 97 ASP H 1.0 . 4.10 248 196 A 9 ILE HB A 9 ILE H 1.0 . 3.29 249 197 A 9 ILE HB A 9 ILE HD1% 1.0 . 3.28 250 198 A 11 LYS HBx A 12 ILE H 1.0 . 4.66 251 199 A 16 GLN HE2y A 56 ILE HB 1.0 . 4.97 252 200 A 11 LYS HBy A 95 TYR HE% 1.0 . 4.60 253 200 A 95 TYR HD% A 11 LYS HBy 1.0 . 4.60 254 201 A 11 LYS HBy A 64 CYS HBy 1.0 . 5.11 255 202 A 11 LYS HBx A 95 TYR HE% 1.0 . 4.88 256 202 A 95 TYR HD% A 11 LYS HBx 1.0 . 4.88 257 203 A 95 TYR HBy A 11 LYS HBx 1.0 . 4.49 258 204 A 56 ILE HB A 56 ILE H 1.0 . 3.32 259 205 A 56 ILE HB A 16 GLN HE2x 1.0 . 4.64 260 206 A 56 ILE HB A 25 VAL HB 1.0 . 3.65 261 207 A 56 ILE HB A 25 VAL HGy% 1.0 . 3.59 262 208 A 58 THR H A 56 ILE HB 1.0 . 4.73 263 209 A 56 ILE HB A 56 ILE HD1% 1.0 . 3.59 264 210 A 90 ILE H A 106 LYS HBy 1.0 . 4.82 265 211 A 107 GLU H A 106 LYS HBy 1.0 . 4.15 266 212 A 108 TYR HD% A 106 LYS HBy 1.0 . 5.21 267 213 A 106 LYS HBy A 105 GLU HA 1.0 . 4.93 268 214 A 106 LYS HBy A 106 LYS HEx 1.0 . 4.61 269 214 A 106 LYS HEy A 106 LYS HBy 1.0 . 4.61 270 215 A 106 LYS HBy A 90 ILE HG2% 1.0 . 4.91 271 216 A 108 TYR HE% A 106 LYS HBx 1.0 . 4.32 272 217 A 106 LYS HBx A 106 LYS HEx 1.0 . 4.46 273 217 A 106 LYS HEy A 106 LYS HBx 1.0 . 4.46 274 218 A 107 GLU H A 106 LYS HBx 1.0 . 3.97 275 219 A 121 VAL H A 121 VAL HB 1.0 . 3.49 276 220 A 74 CYS HBx A 121 VAL HB 1.0 . 4.82 277 221 A 121 VAL HB A 74 CYS HBy 1.0 . 3.81 278 222 A 121 VAL HB A 92 VAL HGy% 1.0 . 5.26 279 223 A 121 VAL HB A 120 SER HA 1.0 . 4.81 280 224 A 122 SER HBx A 125 GLU HGx 1.0 . 5.50 281 224 A 122 SER HBx A 125 GLU HGy 1.0 . 5.50 282 225 A 125 GLU H A 125 GLU HGx 1.0 . 4.23 283 225 A 125 GLU HGy A 125 GLU H 1.0 . 4.23 284 226 A 125 GLU HA A 125 GLU HGx 1.0 . 3.93 285 226 A 125 GLU HGy A 125 GLU HA 1.0 . 3.93 286 227 A 108 TYR HA A 107 GLU HGx 1.0 . 4.47 287 227 A 108 TYR HA A 107 GLU HGy 1.0 . 4.47 288 228 A 107 GLU H A 107 GLU HGx 1.0 . 4.36 289 228 A 107 GLU H A 107 GLU HGy 1.0 . 4.36 290 229 A 109 ILE HG1y A 107 GLU HGx 1.0 . 4.52 291 229 A 107 GLU HGy A 109 ILE HG1y 1.0 . 4.52 292 230 A 109 ILE HG1x A 107 GLU HGx 1.0 . 4.84 293 230 A 109 ILE HG1x A 107 GLU HGy 1.0 . 4.84 294 231 A 109 ILE HD1% A 107 GLU HGx 1.0 . 4.42 295 231 A 107 GLU HGy A 109 ILE HD1% 1.0 . 4.42 296 232 A 108 TYR HD% A 117 GLU HGy 1.0 . 4.53 297 233 A 108 TYR HE% A 117 GLU HGy 1.0 . 4.37 298 234 A 117 GLU HGy A 115 LEU HDx% 1.0 . 4.67 299 235 A 117 GLU H A 117 GLU HGy 1.0 . 4.61 300 236 A 117 GLU HGy A 118 THR H 1.0 . 4.44 301 237 A 117 GLU HGy A 117 GLU HA 1.0 . 3.99 302 238 A 117 GLU H A 117 GLU HGx 1.0 . 5.14 303 239 A 118 THR H A 117 GLU HGx 1.0 . 4.49 304 240 A 108 TYR HD% A 117 GLU HGx 1.0 . 4.60 305 241 A 108 TYR HE% A 117 GLU HGx 1.0 . 4.42 306 242 A 117 GLU HA A 117 GLU HGx 1.0 . 4.09 307 243 A 115 LEU HDx% A 117 GLU HGx 1.0 . 4.48 308 244 A 108 TYR H A 107 GLU HGx 1.0 . 3.87 309 244 A 108 TYR H A 107 GLU HGy 1.0 . 3.87 310 245 A 83 GLU HGx A 86 LYS HGx 1.0 . 4.63 311 245 A 83 GLU HGy A 86 LYS HGx 1.0 . 4.63 312 245 A 86 LYS HGy A 83 GLU HGx 1.0 . 4.63 313 245 A 83 GLU HGy A 86 LYS HGy 1.0 . 4.63 314 246 A 82 SER HBy A 83 GLU HGx 1.0 . 4.67 315 246 A 83 GLU HGy A 82 SER HBy 1.0 . 4.67 316 247 A 82 SER HBx A 83 GLU HGx 1.0 . 5.15 317 247 A 83 GLU HGy A 82 SER HBx 1.0 . 5.15 318 248 A 100 GLU H A 100 GLU HGy 1.0 . 4.74 319 249 A 100 GLU HGy A 100 GLU HA 1.0 . 4.10 320 250 A 100 GLU HGx A 95 TYR HE% 1.0 . 5.39 321 250 A 95 TYR HD% A 100 GLU HGx 1.0 . 5.39 322 251 A 100 GLU HA A 100 GLU HGx 1.0 . 4.09 323 252 A 100 GLU H A 100 GLU HGx 1.0 . 4.77 324 253 A 13 VAL HB A 93 ILE HG2% 1.0 . 5.07 325 254 A 13 VAL HB A 93 ILE H 1.0 . 4.21 326 255 A 13 VAL H A 13 VAL HB 1.0 . 3.42 327 256 A 13 VAL HB A 95 TYR HE% 1.0 . 3.55 328 256 A 95 TYR HD% A 13 VAL HB 1.0 . 3.55 329 257 A 13 VAL HB A 12 ILE HA 1.0 . 4.80 330 258 A 13 VAL HB A 14 ILE HA 1.0 . 5.50 331 259 A 92 VAL H A 105 GLU HGy 1.0 . 5.22 332 260 A 105 GLU HA A 105 GLU HGy 1.0 . 4.14 333 261 A 105 GLU HGy A 91 THR HA 1.0 . 4.66 334 262 A 105 GLU HGy A 91 THR HG2% 1.0 . 4.38 335 263 A 91 THR HA A 105 GLU HGx 1.0 . 4.73 336 264 A 124 LYS HBy A 71 PHE HBx 1.0 . 5.07 337 265 A 14 ILE HD1% A 61 MET HBx 1.0 . 4.10 338 266 A 56 ILE HD1% A 61 MET HBx 1.0 . 4.14 339 267 A 61 MET HBx A 62 SER H 1.0 . 4.11 340 268 A 124 LYS HBy A 124 LYS H 1.0 . 3.65 341 269 A 124 LYS HBy A 96 ILE HD1% 1.0 . 5.42 342 270 A 124 LYS HBy A 71 PHE HD% 1.0 . 4.88 343 271 A 124 LYS HBy A 124 LYS HDx 1.0 . 3.62 344 271 A 124 LYS HBy A 124 LYS HDy 1.0 . 3.62 345 272 A 124 LYS HBx A 71 PHE HBx 1.0 . 4.57 346 273 A 124 LYS HBx A 125 GLU H 1.0 . 4.74 347 274 A 124 LYS HBx A 71 PHE HD% 1.0 . 4.92 348 275 A 124 LYS HBx A 124 LYS HEx 1.0 . 5.18 349 276 A 117 GLU H A 117 GLU HBy 1.0 . 4.13 350 277 A 108 TYR HE% A 117 GLU HBy 1.0 . 4.10 351 278 A 117 GLU HBy A 78 VAL HGy% 1.0 . 5.50 352 279 A 87 ARG H A 87 ARG HBy 1.0 . 3.93 353 280 A 87 ARG HBy A 109 ILE HA 1.0 . 4.82 354 281 A 87 ARG HBy A 88 LEU H 1.0 . 4.34 355 282 A 87 ARG HBy A 87 ARG HDx 1.0 . 3.82 356 282 A 87 ARG HDy A 87 ARG HBy 1.0 . 3.82 357 283 A 109 ILE HD1% A 87 ARG HBy 1.0 . 5.18 358 284 A 87 ARG H A 87 ARG HBx 1.0 . 3.87 359 285 A 88 LEU H A 87 ARG HBx 1.0 . 4.33 360 286 A 19 ASP H A 87 ARG HBx 1.0 . 5.08 361 287 A 86 LYS HA A 87 ARG HBx 1.0 . 4.93 362 288 A 87 ARG HBx A 87 ARG HDx 1.0 . 3.81 363 288 A 87 ARG HDy A 87 ARG HBx 1.0 . 3.81 364 289 A 117 GLU H A 117 GLU HBx 1.0 . 3.75 365 290 A 118 THR H A 117 GLU HBx 1.0 . 4.15 366 291 A 108 TYR HE% A 117 GLU HBx 1.0 . 4.37 367 292 A 117 GLU HBx A 78 VAL HGx% 1.0 . 4.55 368 293 A 78 VAL HB A 119 PHE HD% 1.0 . 5.41 369 294 A 78 VAL HB A 78 VAL H 1.0 . 3.30 370 295 A 77 SER HA A 78 VAL HB 1.0 . 5.10 371 296 A 78 VAL HB A 79 SER H 1.0 . 4.70 372 297 A 108 TYR HE% A 78 VAL HB 1.0 . 5.40 373 298 A 93 ILE HG2% A 103 ARG HBy 1.0 . 4.70 374 299 A 103 ARG HBy A 104 LEU H 1.0 . 4.17 375 300 A 93 ILE HA A 103 ARG HBy 1.0 . 4.74 376 301 A 104 LEU H A 103 ARG HBx 1.0 . 4.43 377 302 A 103 ARG HBx A 102 ASN HA 1.0 . 5.27 378 303 A 93 ILE HG2% A 103 ARG HBx 1.0 . 5.50 379 304 A 103 ARG HBy A 93 ILE HG1x 1.0 . 4.79 380 305 A 6 GLN HA A 6 GLN HGy 1.0 . 3.95 381 306 A 6 GLN H A 6 GLN HGy 1.0 . 4.18 382 307 A 25 VAL H A 55 GLN HGy 1.0 . 4.51 383 308 A 56 ILE H A 55 GLN HGy 1.0 . 4.01 384 309 A 55 GLN HGy A 55 GLN HE2y 1.0 . 3.89 385 310 A 55 GLN HGy A 55 GLN HA 1.0 . 3.78 386 311 A 6 GLN H A 6 GLN HGx 1.0 . 4.25 387 312 A 55 GLN H A 55 GLN HGx 1.0 . 4.52 388 313 A 25 VAL H A 55 GLN HGx 1.0 . 4.73 389 314 A 55 GLN HA A 55 GLN HGx 1.0 . 3.95 390 315 A 15 GLN H A 15 GLN HGy 1.0 . 4.58 391 316 A 15 GLN HGy A 15 GLN HA 1.0 . 3.81 392 317 A 15 GLN HGy A 16 GLN H 1.0 . 4.31 393 318 A 15 GLN HA A 15 GLN HGx 1.0 . 3.87 394 319 A 15 GLN HGx A 60 THR HB 1.0 . 4.76 395 320 A 15 GLN HGx A 60 THR HG2% 1.0 . 4.57 396 321 A 14 ILE HA A 15 GLN HGx 1.0 . 5.41 397 322 A 39 LYS HBy A 39 LYS HDy 1.0 . 3.26 398 323 A 99 LYS HBy A 99 LYS HEx 1.0 . 5.12 399 323 A 99 LYS HEy A 99 LYS HBy 1.0 . 5.12 400 324 A 15 GLN HGy A 91 THR HB 1.0 . 4.78 401 325 A 101 VAL H A 101 VAL HB 1.0 . 4.20 402 326 A 100 GLU H A 99 LYS HBy 1.0 . 4.37 403 327 A 99 LYS HBy A 99 LYS H 1.0 . 3.76 404 328 A 99 LYS HBy A 96 ILE H 1.0 . 4.52 405 329 A 99 LYS HBx A 100 GLU H 1.0 . 4.32 406 330 A 99 LYS HBx A 96 ILE H 1.0 . 4.56 407 331 A 10 HIS HBy A 11 LYS H 1.0 . 4.73 408 332 A 10 HIS HBy A 9 ILE HA 1.0 . 4.98 409 333 A 10 HIS HBy A 72 MET HBx 1.0 . 4.19 410 333 A 72 MET HBy A 10 HIS HBy 1.0 . 4.19 411 334 A 10 HIS HBy A 10 HIS H 1.0 . 4.15 412 335 A 69 ALA HB% A 10 HIS HBy 1.0 . 5.31 413 336 A 10 HIS HBx A 10 HIS H 1.0 . 4.18 414 337 A 69 ALA HB% A 10 HIS HBx 1.0 . 5.50 415 338 A 10 HIS HBx A 65 THR HG2% 1.0 . 4.26 416 339 A 56 ILE H A 25 VAL HB 1.0 . 4.02 417 340 A 25 VAL HB A 24 GLU HA 1.0 . 5.04 418 341 A 64 CYS HBy A 65 THR HG2% 1.0 . 5.24 419 342 A 72 MET H A 72 MET HGy 1.0 . 4.96 420 343 A 44 LYS HEx A 44 LYS HBy 1.0 . 5.23 421 344 A 44 LYS HBx A 45 GLY H 1.0 . 4.61 422 345 A 64 CYS HBy A 11 LYS HA 1.0 . 4.19 423 346 A 11 LYS HBx A 64 CYS HBy 1.0 . 4.31 424 347 A 64 CYS HBy A 10 HIS H 1.0 . 5.13 425 348 A 64 CYS HBy A 65 THR H 1.0 . 3.47 426 349 A 65 THR H A 64 CYS HBx 1.0 . 3.82 427 350 A 11 LYS HA A 64 CYS HBx 1.0 . 4.17 428 351 A 11 LYS HBy A 64 CYS HBx 1.0 . 4.16 429 352 A 11 LYS HBx A 64 CYS HBx 1.0 . 3.93 430 353 A 65 THR HG2% A 64 CYS HBx 1.0 . 4.91 431 354 A 31 GLY HAy A 72 MET HGy 1.0 . 5.34 432 355 A 73 THR H A 72 MET HGy 1.0 . 4.14 433 356 A 72 MET HGy A 72 MET HA 1.0 . 4.15 434 357 A 31 GLY HAx A 72 MET HGy 1.0 . 5.15 435 358 A 65 THR HG2% A 72 MET HGy 1.0 . 4.53 436 359 A 72 MET H A 72 MET HGx 1.0 . 5.27 437 360 A 73 THR H A 72 MET HGx 1.0 . 4.14 438 361 A 65 THR HG2% A 72 MET HGx 1.0 . 4.81 439 362 A 31 GLY HAx A 72 MET HGx 1.0 . 5.03 440 363 A 46 GLU H A 44 LYS HBy 1.0 . 4.57 441 364 A 16 GLN HBx A 56 ILE HG2% 1.0 . 4.58 442 365 A 16 GLN HBx A 88 LEU HDx% 1.0 . 5.15 443 366 A 72 MET HGy A 72 MET HE% 1.0 . 4.60 444 367 A 16 GLN HBy A 20 THR HG2% 1.0 . 4.68 445 368 A 108 TYR H A 107 GLU HBy 1.0 . 4.58 446 369 A 108 TYR H A 107 GLU HBx 1.0 . 4.46 447 370 A 16 GLN HBx A 90 ILE HA 1.0 . 5.50 448 371 A 70 PHE HE% A 34 LYS HBy 1.0 . 4.15 449 372 A 34 LYS HBy A 34 LYS H 1.0 . 3.31 450 373 A 107 GLU HBy A 106 LYS HA 1.0 . 4.51 451 374 A 34 LYS H A 34 LYS HBx 1.0 . 3.32 452 375 A 70 PHE HE% A 34 LYS HBx 1.0 . 4.20 453 376 A 108 TYR HA A 107 GLU HBx 1.0 . 4.54 454 377 A 86 LYS HBy A 85 GLY H 1.0 . 5.07 455 378 A 86 LYS HBy A 84 ALA HA 1.0 . 4.88 456 379 A 87 ARG H A 86 LYS HBy 1.0 . 4.45 457 380 A 110 THR H A 86 LYS HBy 1.0 . 5.27 458 381 A 91 THR HG2% A 15 GLN HBy 1.0 . 5.45 459 382 A 14 ILE HA A 15 GLN HBx 1.0 . 4.66 460 383 A 15 GLN HBx A 91 THR H 1.0 . 4.47 461 384 A 34 LYS HBx A 35 GLY H 1.0 . 4.46 462 385 A 37 PRO HBy A 38 ALA H 1.0 . 3.97 463 386 A 15 GLN HA A 16 GLN HGx 1.0 . 4.65 464 387 A 15 GLN H A 15 GLN HBy 1.0 . 4.03 465 388 A 91 THR HB A 15 GLN HBy 1.0 . 3.68 466 389 A 16 GLN H A 15 GLN HBx 1.0 . 4.83 467 390 A 91 THR HG2% A 15 GLN HBx 1.0 . 5.33 468 391 A 37 PRO HBx A 38 ALA H 1.0 . 4.40 469 392 A 105 GLU H A 105 GLU HBy 1.0 . 3.84 470 393 A 105 GLU HBx A 106 LYS H 1.0 . 4.50 471 394 A 61 MET HGy A 61 MET H 1.0 . 4.66 472 395 A 61 MET HGy A 62 SER H 1.0 . 3.97 473 396 A 61 MET HGy A 61 MET HA 1.0 . 3.86 474 397 A 56 ILE HD1% A 61 MET HGx 1.0 . 4.07 475 398 A 61 MET H A 61 MET HGx 1.0 . 4.56 476 399 A 56 ILE HG2% A 16 GLN HGy 1.0 . 4.56 477 400 A 20 THR HG2% A 16 GLN HGx 1.0 . 4.30 478 401 A 91 THR HA A 105 GLU HBx 1.0 . 5.38 479 402 A 61 MET HGy A 14 ILE HD1% 1.0 . 4.04 480 403 A 62 SER HA A 63 CYS HBx 1.0 . 5.04 481 404 A 29 ILE HD1% A 63 CYS HBx 1.0 . 3.67 482 405 A 57 ARG HBy A 58 THR HG2% 1.0 . 5.44 483 406 A 25 VAL H A 24 GLU HBy 1.0 . 4.46 484 407 A 79 SER H A 24 GLU HBy 1.0 . 4.71 485 408 A 24 GLU HBy A 23 PHE HA 1.0 . 5.50 486 409 A 24 GLU HBy A 24 GLU HGx 1.0 . 2.40 487 410 A 24 GLU HBy A 24 GLU H 1.0 . 3.75 488 411 A 25 VAL H A 24 GLU HBx 1.0 . 4.45 489 412 A 58 THR H A 57 ARG HBx 1.0 . 4.62 490 413 A 57 ARG HBx A 57 ARG HDx 1.0 . 3.96 491 413 A 57 ARG HDy A 57 ARG HBx 1.0 . 3.96 492 414 A 58 THR HG2% A 57 ARG HBx 1.0 . 4.56 493 415 A 57 ARG H A 57 ARG HBx 1.0 . 3.85 494 416 A 63 CYS HBy A 72 MET HE% 1.0 . 3.93 495 417 A 63 CYS HBy A 29 ILE HD1% 1.0 . 3.70 496 418 A 64 CYS H A 63 CYS HBx 1.0 . 4.00 497 419 A 76 GLY H A 118 THR HB 1.0 . 4.87 498 420 A 66 ASN H A 65 THR HB 1.0 . 3.51 499 421 A 88 LEU HA A 89 HIS HBx 1.0 . 5.03 500 422 A 84 ALA HA A 83 GLU HBy 1.0 . 5.20 501 423 A 84 ALA HB% A 83 GLU HBy 1.0 . 5.20 502 424 A 89 HIS HBy A 17 SER HBx 1.0 . 5.09 503 424 A 17 SER HBy A 89 HIS HBy 1.0 . 5.09 504 425 A 88 LEU HA A 89 HIS HBy 1.0 . 4.83 505 426 A 88 LEU H A 89 HIS HBx 1.0 . 4.46 506 427 A 83 GLU HBy A 86 LYS HGx 1.0 . 5.25 507 427 A 86 LYS HGy A 83 GLU HBy 1.0 . 5.25 508 428 A 6 GLN H A 6 GLN HBy 1.0 . 3.53 509 429 A 30 GLY H A 73 THR HB 1.0 . 5.50 510 430 A 6 GLN HBy A 6 GLN HGx 1.0 . 3.01 511 431 A 6 GLN HBx A 7 THR H 1.0 . 4.71 512 432 A 47 TYR H A 46 GLU HBy 1.0 . 4.51 513 433 A 46 GLU HBy A 42 ASN HD2y 1.0 . 3.67 514 434 A 42 ASN HD2y A 46 GLU HBx 1.0 . 3.67 515 435 A 42 ASN HD2x A 46 GLU HBx 1.0 . 5.08 516 436 A 46 GLU HBx A 48 ILE HG2% 1.0 . 5.00 517 437 A 73 THR HB A 74 CYS H 1.0 . 3.99 518 438 A 73 THR HB A 71 PHE HE% 1.0 . 4.29 519 439 A 73 THR HB A 122 SER HA 1.0 . 4.47 520 440 A 60 THR HB A 60 THR H 1.0 . 3.73 521 441 A 15 GLN HGy A 60 THR HB 1.0 . 4.42 522 442 A 74 CYS HBy A 74 CYS H 1.0 . 3.61 523 443 A 74 CYS HBx A 74 CYS H 1.0 . 3.94 524 444 A 121 VAL HGy% A 74 CYS HBx 1.0 . 4.09 525 445 A 70 PHE HE% A 34 LYS HDx 1.0 . 4.67 526 445 A 70 PHE HE% A 34 LYS HDy 1.0 . 4.67 527 446 A 95 TYR HA A 100 GLU HBx 1.0 . 5.50 528 447 A 34 LYS HA A 34 LYS HDx 1.0 . 4.39 529 447 A 34 LYS HDy A 34 LYS HA 1.0 . 4.39 530 448 A 15 GLN H A 91 THR HB 1.0 . 4.00 531 449 A 15 GLN HGx A 91 THR HB 1.0 . 4.90 532 450 A 91 THR HB A 15 GLN HBx 1.0 . 3.24 533 451 A 100 GLU HBy A 95 TYR HE% 1.0 . 4.41 534 451 A 95 TYR HD% A 100 GLU HBy 1.0 . 4.41 535 452 A 93 ILE HG2% A 100 GLU HBx 1.0 . 4.86 536 453 A 101 VAL H A 100 GLU HBx 1.0 . 4.42 537 454 A 100 GLU HBx A 95 TYR HE% 1.0 . 4.13 538 454 A 95 TYR HD% A 100 GLU HBx 1.0 . 4.13 539 455 A 34 LYS H A 34 LYS HDx 1.0 . 4.71 540 455 A 34 LYS H A 34 LYS HDy 1.0 . 4.71 541 456 A 100 GLU HBy A 99 LYS HA 1.0 . 4.78 542 457 A 34 LYS HDy A 34 LYS HGx 1.0 . 2.51 543 457 A 34 LYS HDx A 34 LYS HGx 1.0 . 2.51 544 457 A 34 LYS HGy A 34 LYS HDx 1.0 . 2.51 545 457 A 34 LYS HGy A 34 LYS HDy 1.0 . 2.51 546 458 A 39 LYS HDy A 39 LYS H 1.0 . 4.88 547 459 A 39 LYS HA A 39 LYS HDy 1.0 . 4.51 548 460 A 71 PHE HD% A 124 LYS HDx 1.0 . 5.50 549 460 A 71 PHE HD% A 124 LYS HDy 1.0 . 5.50 550 461 A 125 GLU H A 124 LYS HDx 1.0 . 4.71 551 461 A 125 GLU H A 124 LYS HDy 1.0 . 4.71 552 462 A 39 LYS HA A 39 LYS HDx 1.0 . 4.84 553 463 A 39 LYS H A 39 LYS HDx 1.0 . 5.09 554 464 A 39 LYS HBy A 39 LYS HDx 1.0 . 3.50 555 465 A 15 GLN H A 14 ILE HG1x 1.0 . 4.84 556 466 A 7 THR HB A 8 GLY H 1.0 . 3.55 557 467 A 99 LYS HA A 99 LYS HDx 1.0 . 3.99 558 467 A 99 LYS HA A 99 LYS HDy 1.0 . 3.99 559 468 A 14 ILE HG2% A 14 ILE HG1y 1.0 . 3.57 560 469 A 14 ILE HG1y A 14 ILE H 1.0 . 4.15 561 470 A 14 ILE HG1x A 14 ILE H 1.0 . 4.79 562 471 A 92 VAL HGy% A 14 ILE HG1x 1.0 . 4.36 563 472 A 14 ILE HA A 14 ILE HG1x 1.0 . 3.73 564 473 A 93 ILE H A 14 ILE HG1y 1.0 . 4.74 565 474 A 44 LYS H A 44 LYS HDx 1.0 . 4.64 566 474 A 44 LYS H A 44 LYS HDy 1.0 . 4.64 567 475 A 44 LYS HBy A 44 LYS HDx 1.0 . 3.86 568 475 A 44 LYS HDy A 44 LYS HBy 1.0 . 3.86 569 476 A 63 CYS HBx A 29 ILE HG1x 1.0 . 4.22 570 477 A 58 THR HB A 59 ALA H 1.0 . 3.45 571 478 A 58 THR H A 58 THR HB 1.0 . 4.21 572 479 A 54 ALA HB% A 55 GLN HBy 1.0 . 5.50 573 480 A 56 ILE H A 55 GLN HBy 1.0 . 4.45 574 481 A 55 GLN HBy A 54 ALA HA 1.0 . 4.79 575 482 A 55 GLN HBx A 57 ARG HDx 1.0 . 4.89 576 482 A 57 ARG HDy A 55 GLN HBx 1.0 . 4.89 577 483 A 29 ILE H A 29 ILE HG1y 1.0 . 4.23 578 484 A 52 TYR HD% A 29 ILE HG1y 1.0 . 4.87 579 485 A 29 ILE H A 29 ILE HG1x 1.0 . 4.49 580 486 A 30 GLY H A 29 ILE HG1x 1.0 . 4.84 581 487 A 29 ILE HA A 29 ILE HG1x 1.0 . 3.92 582 488 A 103 ARG HA A 93 ILE HG1x 1.0 . 4.69 583 489 A 92 VAL HA A 93 ILE HG1y 1.0 . 4.57 584 490 A 91 THR HG2% A 93 ILE HG1y 1.0 . 4.16 585 491 A 93 ILE H A 93 ILE HG1y 1.0 . 3.95 586 492 A 94 GLY H A 93 ILE HG1x 1.0 . 5.21 587 493 A 93 ILE H A 93 ILE HG1x 1.0 . 4.41 588 494 A 93 ILE HA A 93 ILE HG1x 1.0 . 4.15 589 495 A 91 THR HG2% A 93 ILE HG1x 1.0 . 4.64 590 496 A 108 TYR HA A 109 ILE HG1y 1.0 . 3.88 591 497 A 84 ALA H A 110 THR HB 1.0 . 4.05 592 498 A 84 ALA HA A 110 THR HB 1.0 . 3.85 593 499 A 109 ILE H A 109 ILE HG1y 1.0 . 4.22 594 500 A 117 GLU H A 116 ILE HG1y 1.0 . 4.92 595 501 A 116 ILE H A 116 ILE HG1y 1.0 . 4.42 596 502 A 116 ILE HG1y A 116 ILE HA 1.0 . 4.08 597 503 A 114 THR HB A 116 ILE HG1y 1.0 . 5.36 598 504 A 117 GLU H A 116 ILE HG1x 1.0 . 4.80 599 505 A 115 LEU HA A 116 ILE HG1x 1.0 . 5.07 600 506 A 116 ILE HA A 116 ILE HG1x 1.0 . 3.93 601 507 A 79 SER HA A 116 ILE HG1x 1.0 . 4.89 602 508 A 116 ILE HG1x A 79 SER HBy 1.0 . 4.61 603 509 A 109 ILE HG1x A 109 ILE H 1.0 . 4.82 604 510 A 109 ILE HG1x A 110 THR H 1.0 . 4.84 605 511 A 111 ASP H A 110 THR HB 1.0 . 3.71 606 512 A 86 LYS HDy A 86 LYS H 1.0 . 4.88 607 513 A 110 THR H A 109 ILE HG1y 1.0 . 5.21 608 514 A 109 ILE HG1y A 109 ILE HA 1.0 . 3.87 609 515 A 86 LYS HDx A 86 LYS H 1.0 . 4.98 610 516 A 87 ARG H A 87 ARG HGy 1.0 . 4.13 611 517 A 13 VAL H A 12 ILE HG1y 1.0 . 5.50 612 518 A 12 ILE H A 12 ILE HG1y 1.0 . 4.36 613 519 A 74 CYS HBy A 12 ILE HG1y 1.0 . 5.07 614 520 A 12 ILE HA A 12 ILE HG1y 1.0 . 3.89 615 521 A 74 CYS HBx A 12 ILE HG1y 1.0 . 4.74 616 522 A 88 LEU H A 87 ARG HGx 1.0 . 4.66 617 523 A 13 VAL H A 12 ILE HG1x 1.0 . 5.10 618 524 A 12 ILE HG1x A 12 ILE H 1.0 . 4.64 619 525 A 12 ILE HG1x A 12 ILE HA 1.0 . 3.81 620 526 A 38 ALA H A 37 PRO HGy 1.0 . 5.45 621 527 A 38 ALA H A 37 PRO HGx 1.0 . 5.39 622 528 A 57 ARG H A 57 ARG HGx 1.0 . 3.70 623 528 A 57 ARG H A 57 ARG HGy 1.0 . 3.70 624 529 A 55 GLN HE2y A 57 ARG HGx 1.0 . 4.71 625 529 A 55 GLN HE2y A 57 ARG HGy 1.0 . 4.71 626 530 A 55 GLN HE2x A 57 ARG HGx 1.0 . 4.73 627 530 A 55 GLN HE2x A 57 ARG HGy 1.0 . 4.73 628 531 A 87 ARG H A 87 ARG HGx 1.0 . 4.34 629 532 A 104 LEU H A 104 LEU HG 1.0 . 4.06 630 533 A 9 ILE H A 9 ILE HG1x 1.0 . 4.51 631 534 A 67 GLY HAy A 9 ILE HG1x 1.0 . 4.44 632 535 A 67 GLY HAx A 9 ILE HG1x 1.0 . 4.92 633 536 A 58 THR H A 57 ARG HGx 1.0 . 4.91 634 536 A 58 THR H A 57 ARG HGy 1.0 . 4.91 635 537 A 108 TYR HD% A 90 ILE HG1y 1.0 . 5.45 636 538 A 16 GLN HA A 90 ILE HG1y 1.0 . 5.17 637 539 A 90 ILE HA A 90 ILE HG1y 1.0 . 4.02 638 540 A 88 LEU HA A 90 ILE HG1y 1.0 . 5.50 639 541 A 90 ILE H A 90 ILE HG1y 1.0 . 4.34 640 542 A 108 TYR HE% A 90 ILE HG1y 1.0 . 4.29 641 543 A 89 HIS HA A 90 ILE HG1y 1.0 . 4.93 642 544 A 88 LEU HDy% A 90 ILE HG1y 1.0 . 4.73 643 545 A 105 GLU HA A 104 LEU HG 1.0 . 4.78 644 546 A 90 ILE H A 90 ILE HG1x 1.0 . 4.27 645 547 A 108 TYR HD% A 90 ILE HG1x 1.0 . 5.17 646 548 A 90 ILE HA A 90 ILE HG1x 1.0 . 4.23 647 549 A 88 LEU HDy% A 90 ILE HG1x 1.0 . 4.38 648 550 A 104 LEU HG A 106 LYS HEx 1.0 . 5.20 649 550 A 106 LYS HEy A 104 LEU HG 1.0 . 5.20 650 551 A 114 THR HB A 115 LEU H 1.0 . 4.27 651 552 A 114 THR HB A 114 THR H 1.0 . 3.59 652 553 A 125 GLU HA A 126 ILE HG1y 1.0 . 5.50 653 554 A 126 ILE H A 126 ILE HG1y 1.0 . 4.09 654 555 A 56 ILE H A 56 ILE HG1y 1.0 . 3.61 655 556 A 55 GLN HA A 56 ILE HG1y 1.0 . 5.18 656 557 A 56 ILE HG1y A 25 VAL HGx% 1.0 . 3.78 657 558 A 56 ILE H A 56 ILE HG1x 1.0 . 3.61 658 559 A 55 GLN HA A 56 ILE HG1x 1.0 . 4.95 659 560 A 25 VAL HB A 56 ILE HG1x 1.0 . 4.90 660 561 A 31 GLY H A 40 LEU HDx% 1.0 . 4.93 661 562 A 52 TYR H A 40 LEU HDx% 1.0 . 3.92 662 563 A 51 SER H A 40 LEU HDx% 1.0 . 4.60 663 564 A 30 GLY HAy A 40 LEU HDx% 1.0 . 3.33 664 565 A 50 ASP HBy A 40 LEU HDx% 1.0 . 3.51 665 565 A 40 LEU HDx% A 50 ASP HBx 1.0 . 3.51 666 566 A 88 LEU HDy% A 89 HIS H 1.0 . 4.22 667 567 A 88 LEU HDy% A 88 LEU HA 1.0 . 4.24 668 568 A 80 SER HA A 81 ILE HG1y 1.0 . 5.50 669 569 A 115 LEU HDy% A 110 THR H 1.0 . 5.47 670 570 A 115 LEU HDy% A 115 LEU H 1.0 . 5.08 671 571 A 115 LEU HDy% A 116 ILE H 1.0 . 4.07 672 572 A 115 LEU HDy% A 109 ILE H 1.0 . 4.52 673 573 A 115 LEU HDy% A 108 TYR HE% 1.0 . 5.22 674 574 A 115 LEU HDy% A 79 SER HA 1.0 . 5.49 675 575 A 115 LEU HDy% A 80 SER HBx 1.0 . 4.42 676 576 A 115 LEU HDy% A 108 TYR HBy 1.0 . 3.69 677 577 A 115 LEU HDy% A 108 TYR HBx 1.0 . 3.56 678 578 A 115 LEU HDy% A 115 LEU HBy 1.0 . 3.33 679 579 A 115 LEU HDy% A 115 LEU HBx 1.0 . 3.24 680 580 A 40 LEU H A 40 LEU HDx% 1.0 . 4.38 681 581 A 88 LEU HDy% A 19 ASP H 1.0 . 5.50 682 582 A 88 LEU HDy% A 108 TYR HE% 1.0 . 4.99 683 583 A 88 LEU HDy% A 90 ILE HA 1.0 . 5.02 684 584 A 88 LEU HDy% A 20 THR HA 1.0 . 5.44 685 585 A 88 LEU HDy% A 23 PHE HBx 1.0 . 3.69 686 585 A 88 LEU HDy% A 23 PHE HBy 1.0 . 3.69 687 586 A 88 LEU HDy% A 88 LEU HBx 1.0 . 3.54 688 587 A 30 GLY HAy A 40 LEU HG 1.0 . 5.15 689 588 A 82 SER H A 81 ILE HG1y 1.0 . 4.99 690 589 A 81 ILE HG1y A 81 ILE H 1.0 . 3.73 691 590 A 82 SER HA A 81 ILE HG1y 1.0 . 5.34 692 591 A 81 ILE H A 81 ILE HG1x 1.0 . 3.83 693 592 A 40 LEU H A 40 LEU HG 1.0 . 3.98 694 593 A 96 ILE H A 96 ILE HG1y 1.0 . 4.81 695 594 A 123 THR HB A 96 ILE HG1y 1.0 . 4.50 696 595 A 108 TYR HE% A 115 LEU HDx% 1.0 . 5.05 697 596 A 80 SER HBy A 115 LEU HDx% 1.0 . 4.40 698 597 A 123 THR HB A 96 ILE HG1x 1.0 . 4.91 699 598 A 117 GLU H A 115 LEU HDx% 1.0 . 4.64 700 599 A 79 SER HA A 115 LEU HDx% 1.0 . 3.57 701 600 A 115 LEU HDx% A 116 ILE HA 1.0 . 3.90 702 601 A 115 LEU HA A 115 LEU HDx% 1.0 . 3.99 703 602 A 80 SER HBx A 115 LEU HDx% 1.0 . 3.93 704 603 A 108 TYR HBy A 115 LEU HDx% 1.0 . 3.95 705 604 A 108 TYR HBx A 115 LEU HDx% 1.0 . 3.46 706 605 A 115 LEU HBy A 115 LEU HDx% 1.0 . 3.68 707 606 A 115 LEU HBx A 115 LEU HDx% 1.0 . 3.10 708 607 A 39 LYS HA A 39 LYS HGx 1.0 . 4.15 709 608 A 40 LEU H A 39 LYS HGx 1.0 . 5.40 710 609 A 49 GLY H A 48 ILE HG12 1.0 . 5.14 711 609 A 49 GLY H A 48 ILE HG13 1.0 . 5.14 712 610 A 92 VAL HGx% A 105 GLU H 1.0 . 4.51 713 611 A 39 LYS HGy A 47 TYR HD% 1.0 . 5.19 714 612 A 92 VAL HGx% A 104 LEU H 1.0 . 4.65 715 613 A 92 VAL HGx% A 92 VAL H 1.0 . 4.65 716 614 A 92 VAL HGx% A 120 SER H 1.0 . 4.38 717 615 A 92 VAL HGx% A 119 PHE HD% 1.0 . 3.84 718 616 A 92 VAL HGx% A 92 VAL HA 1.0 . 4.15 719 617 A 92 VAL HGx% A 104 LEU HA 1.0 . 4.38 720 618 A 92 VAL HGx% A 119 PHE HBx 1.0 . 3.35 721 618 A 92 VAL HGx% A 119 PHE HBy 1.0 . 3.35 722 619 A 92 VAL HGx% A 106 LYS HEx 1.0 . 4.09 723 619 A 92 VAL HGx% A 106 LYS HEy 1.0 . 4.09 724 620 A 92 VAL HGx% A 104 LEU HG 1.0 . 3.36 725 621 A 92 VAL HGx% A 104 LEU HDy% 1.0 . 2.94 726 621 A 104 LEU HDx% A 92 VAL HGx% 1.0 . 2.94 727 622 A 16 GLN HE2x A 20 THR HB 1.0 . 5.18 728 623 A 88 LEU HDx% A 20 THR HB 1.0 . 5.42 729 624 A 71 PHE HBy A 124 LYS HGx 1.0 . 4.71 730 624 A 124 LYS HGy A 71 PHE HBy 1.0 . 4.71 731 625 A 44 LYS HGy A 42 ASN HBy 1.0 . 5.15 732 626 A 71 PHE HD% A 124 LYS HGx 1.0 . 5.07 733 626 A 124 LYS HGy A 71 PHE HD% 1.0 . 5.07 734 627 A 124 LYS H A 124 LYS HGx 1.0 . 4.33 735 627 A 124 LYS HGy A 124 LYS H 1.0 . 4.33 736 628 A 124 LYS HEx A 124 LYS HGx 1.0 . 3.80 737 628 A 124 LYS HGy A 124 LYS HEx 1.0 . 3.80 738 629 A 80 SER H A 79 SER HBx 1.0 . 4.12 739 630 A 79 SER HBx A 116 ILE HD1% 1.0 . 4.99 740 631 A 98 ASP HBx A 99 LYS HGy 1.0 . 5.34 741 632 A 44 LYS HGy A 44 LYS HDx 1.0 . 2.53 742 632 A 44 LYS HGy A 44 LYS HDy 1.0 . 2.53 743 633 A 44 LYS H A 44 LYS HGy 1.0 . 3.98 744 634 A 44 LYS HGy A 44 LYS HA 1.0 . 3.68 745 635 A 44 LYS H A 44 LYS HGx 1.0 . 4.08 746 636 A 44 LYS HGx A 44 LYS HDx 1.0 . 2.85 747 636 A 44 LYS HDy A 44 LYS HGx 1.0 . 2.85 748 637 A 24 GLU HGx A 79 SER HBy 1.0 . 5.25 749 638 A 79 SER HBy A 116 ILE HD1% 1.0 . 5.21 750 639 A 14 ILE H A 62 SER HBx 1.0 . 5.21 751 640 A 62 SER HBx A 13 VAL HGy% 1.0 . 4.17 752 641 A 99 LYS H A 99 LYS HGy 1.0 . 4.53 753 642 A 100 GLU H A 99 LYS HGy 1.0 . 4.64 754 643 A 34 LYS H A 34 LYS HGx 1.0 . 3.96 755 643 A 34 LYS HGy A 34 LYS H 1.0 . 3.96 756 644 A 99 LYS HGx A 100 GLU H 1.0 . 4.51 757 645 A 99 LYS HGx A 99 LYS HA 1.0 . 4.20 758 646 A 99 LYS HGx A 99 LYS H 1.0 . 4.53 759 647 A 111 ASP H A 110 THR HG2% 1.0 . 4.11 760 648 A 110 THR H A 110 THR HG2% 1.0 . 3.36 761 649 A 115 LEU H A 110 THR HG2% 1.0 . 5.50 762 650 A 110 THR HG2% A 112 GLY H 1.0 . 4.40 763 651 A 82 SER H A 110 THR HG2% 1.0 . 3.85 764 652 A 85 GLY H A 110 THR HG2% 1.0 . 4.87 765 653 A 109 ILE HA A 110 THR HG2% 1.0 . 4.58 766 654 A 82 SER HBy A 110 THR HG2% 1.0 . 4.28 767 655 A 84 ALA HA A 110 THR HG2% 1.0 . 3.75 768 656 A 80 SER HBy A 110 THR HG2% 1.0 . 3.95 769 657 A 80 SER HBx A 110 THR HG2% 1.0 . 3.60 770 658 A 86 LYS HBy A 110 THR HG2% 1.0 . 3.84 771 659 A 73 THR HA A 122 SER HBy 1.0 . 4.83 772 660 A 122 SER HBy A 73 THR HG2% 1.0 . 4.78 773 661 A 115 LEU HDy% A 80 SER HBy 1.0 . 4.79 774 662 A 80 SER HBy A 115 LEU HBx 1.0 . 4.86 775 663 A 95 TYR H A 123 THR HG2% 1.0 . 3.70 776 664 A 123 THR HG2% A 123 THR H 1.0 . 3.49 777 665 A 94 GLY H A 123 THR HG2% 1.0 . 4.62 778 666 A 72 MET H A 123 THR HG2% 1.0 . 4.52 779 667 A 124 LYS H A 123 THR HG2% 1.0 . 4.51 780 668 A 122 SER HA A 123 THR HG2% 1.0 . 5.08 781 669 A 94 GLY HAy A 123 THR HG2% 1.0 . 3.81 782 670 A 123 THR HG2% A 123 THR HA 1.0 . 3.21 783 671 A 94 GLY HAx A 123 THR HG2% 1.0 . 3.25 784 672 A 123 THR HG2% A 72 MET HBx 1.0 . 3.72 785 672 A 72 MET HBy A 123 THR HG2% 1.0 . 3.72 786 673 A 12 ILE HD1% A 123 THR HG2% 1.0 . 3.31 787 674 A 96 ILE HG1x A 123 THR HG2% 1.0 . 4.68 788 675 A 106 LYS H A 106 LYS HGx 1.0 . 4.79 789 675 A 106 LYS HGy A 106 LYS H 1.0 . 4.79 790 676 A 108 TYR HE% A 106 LYS HGx 1.0 . 5.11 791 676 A 108 TYR HE% A 106 LYS HGy 1.0 . 5.11 792 677 A 122 SER HBy A 122 SER H 1.0 . 4.11 793 678 A 124 LYS H A 122 SER HBy 1.0 . 4.26 794 679 A 122 SER HBy A 123 THR H 1.0 . 4.28 795 680 A 110 THR HB A 86 LYS HGx 1.0 . 4.20 796 680 A 86 LYS HGy A 110 THR HB 1.0 . 4.20 797 681 A 82 SER HBy A 86 LYS HGx 1.0 . 4.45 798 681 A 86 LYS HGy A 82 SER HBy 1.0 . 4.45 799 682 A 84 ALA HA A 86 LYS HGx 1.0 . 5.04 800 682 A 86 LYS HGy A 84 ALA HA 1.0 . 5.04 801 683 A 77 SER H A 77 SER HBx 1.0 . 3.74 802 683 A 77 SER H A 77 SER HBy 1.0 . 3.74 803 684 A 32 ALA HB% A 33 ASP H 1.0 . 3.29 804 685 A 32 ALA HB% A 70 PHE H 1.0 . 5.16 805 686 A 32 ALA HB% A 32 ALA H 1.0 . 3.40 806 687 A 32 ALA HB% A 70 PHE HD% 1.0 . 4.01 807 688 A 32 ALA HB% A 70 PHE HBx 1.0 . 3.96 808 689 A 78 VAL H A 77 SER HBx 1.0 . 3.62 809 689 A 78 VAL H A 77 SER HBy 1.0 . 3.62 810 690 A 119 PHE H A 77 SER HBx 1.0 . 4.92 811 690 A 77 SER HBy A 119 PHE H 1.0 . 4.92 812 691 A 26 SER HBy A 27 VAL H 1.0 . 3.90 813 692 A 55 GLN HA A 26 SER HBy 1.0 . 4.45 814 693 A 26 SER H A 26 SER HBy 1.0 . 3.72 815 694 A 55 GLN HGy A 26 SER HBy 1.0 . 5.37 816 695 A 27 VAL H A 26 SER HBx 1.0 . 4.00 817 696 A 19 ASP H A 88 LEU HDx% 1.0 . 4.40 818 697 A 88 LEU HDx% A 89 HIS H 1.0 . 3.55 819 698 A 88 LEU HDx% A 17 SER H 1.0 . 3.77 820 699 A 20 THR H A 88 LEU HDx% 1.0 . 4.44 821 700 A 16 GLN HA A 88 LEU HDx% 1.0 . 4.85 822 701 A 88 LEU HDx% A 23 PHE HA 1.0 . 5.50 823 702 A 88 LEU HDx% A 88 LEU HA 1.0 . 3.14 824 703 A 20 THR HA A 88 LEU HDx% 1.0 . 3.21 825 704 A 88 LEU HDx% A 23 PHE HBx 1.0 . 3.90 826 704 A 23 PHE HBy A 88 LEU HDx% 1.0 . 3.90 827 705 A 88 LEU HDx% A 16 GLN HGy 1.0 . 5.50 828 706 A 88 LEU HDx% A 16 GLN HBy 1.0 . 3.50 829 707 A 88 LEU HDx% A 20 THR HG2% 1.0 . 3.32 830 708 A 88 LEU HBx A 88 LEU HDx% 1.0 . 3.38 831 709 A 39 LYS HA A 40 LEU HDy% 1.0 . 5.50 832 710 A 30 GLY HAx A 40 LEU HDy% 1.0 . 5.45 833 711 A 80 SER H A 114 THR HA 1.0 . 5.06 834 712 A 54 ALA HB% A 27 VAL H 1.0 . 5.19 835 713 A 54 ALA H A 54 ALA HB% 1.0 . 2.78 836 714 A 54 ALA HB% A 53 SER HA 1.0 . 4.43 837 715 A 31 GLY H A 40 LEU HDy% 1.0 . 4.31 838 716 A 41 TYR H A 40 LEU HDy% 1.0 . 4.14 839 717 A 40 LEU H A 40 LEU HDy% 1.0 . 4.43 840 718 A 41 TYR HD% A 40 LEU HDy% 1.0 . 5.50 841 719 A 65 THR HA A 40 LEU HDy% 1.0 . 4.00 842 720 A 40 LEU HA A 40 LEU HDy% 1.0 . 3.16 843 721 A 30 GLY HAy A 40 LEU HDy% 1.0 . 3.93 844 722 A 31 GLY HAx A 40 LEU HDy% 1.0 . 4.79 845 723 A 63 CYS HBy A 40 LEU HDy% 1.0 . 4.23 846 724 A 65 THR HG2% A 40 LEU HDy% 1.0 . 3.45 847 725 A 29 ILE HG2% A 40 LEU HDy% 1.0 . 3.46 848 726 A 40 LEU HBx A 40 LEU HDy% 1.0 . 3.13 849 727 A 115 LEU HBx A 114 THR HA 1.0 . 4.98 850 728 A 28 SER H A 28 SER HBy 1.0 . 3.57 851 729 A 82 SER H A 82 SER HBy 1.0 . 3.79 852 730 A 75 ALA HA A 120 SER HBx 1.0 . 4.32 853 730 A 75 ALA HA A 120 SER HBy 1.0 . 4.32 854 731 A 29 ILE H A 28 SER HBx 1.0 . 4.28 855 732 A 82 SER HBx A 110 THR HG2% 1.0 . 4.38 856 733 A 121 VAL HGx% A 104 LEU H 1.0 . 4.73 857 734 A 121 VAL HGx% A 121 VAL H 1.0 . 3.96 858 735 A 121 VAL HGx% A 102 ASN HD2y 1.0 . 4.56 859 736 A 121 VAL HGx% A 119 PHE HD% 1.0 . 3.76 860 737 A 121 VAL HGx% A 121 VAL HA 1.0 . 3.23 861 738 A 121 VAL HGx% A 102 ASN HBx 1.0 . 4.59 862 739 A 92 VAL HGx% A 121 VAL HGx% 1.0 . 3.42 863 740 A 27 VAL HB A 28 SER HBx 1.0 . 5.50 864 741 A 29 ILE H A 53 SER HBx 1.0 . 4.72 865 741 A 29 ILE H A 53 SER HBy 1.0 . 4.72 866 742 A 22 SER HBy A 86 LYS HGx 1.0 . 4.68 867 742 A 86 LYS HGy A 22 SER HBy 1.0 . 4.68 868 743 A 51 SER HBy A 40 LEU HDx% 1.0 . 5.25 869 744 A 52 TYR H A 51 SER HBx 1.0 . 3.66 870 745 A 51 SER HBx A 40 LEU HDx% 1.0 . 5.01 871 746 A 86 LYS HBy A 22 SER HBx 1.0 . 5.50 872 747 A 8 GLY H A 7 THR HG2% 1.0 . 4.18 873 748 A 70 PHE H A 7 THR HG2% 1.0 . 5.22 874 749 A 7 THR H A 7 THR HG2% 1.0 . 3.42 875 750 A 7 THR HG2% A 69 ALA H 1.0 . 5.16 876 751 A 7 THR HG2% A 7 THR HA 1.0 . 3.09 877 752 A 70 PHE HBy A 7 THR HG2% 1.0 . 4.37 878 753 A 70 PHE HBx A 7 THR HG2% 1.0 . 4.99 879 754 A 93 ILE HA A 91 THR HG2% 1.0 . 5.50 880 755 A 52 TYR HD% A 51 SER HBy 1.0 . 5.28 881 756 A 19 ASP HBx A 22 SER HBy 1.0 . 4.97 882 757 A 22 SER H A 22 SER HBx 1.0 . 4.08 883 758 A 19 ASP HBx A 22 SER HBx 1.0 . 4.93 884 759 A 86 LYS HBx A 22 SER HBx 1.0 . 4.95 885 760 A 92 VAL H A 91 THR HG2% 1.0 . 3.51 886 761 A 91 THR HG2% A 105 GLU HGx 1.0 . 4.10 887 762 A 93 ILE H A 13 VAL HGy% 1.0 . 5.50 888 763 A 13 VAL H A 13 VAL HGy% 1.0 . 3.60 889 764 A 13 VAL HGy% A 63 CYS H 1.0 . 4.32 890 765 A 62 SER HA A 13 VAL HGy% 1.0 . 4.10 891 766 A 12 ILE HA A 13 VAL HGy% 1.0 . 4.89 892 767 A 13 VAL HA A 13 VAL HGy% 1.0 . 3.30 893 768 A 13 VAL HGy% A 62 SER HBy 1.0 . 3.34 894 769 A 119 PHE HE% A 27 VAL HG1% 1.0 . 3.91 895 769 A 27 VAL HG2% A 119 PHE HE% 1.0 . 3.91 896 770 A 57 ARG H A 58 THR HG2% 1.0 . 4.33 897 771 A 58 THR HG2% A 59 ALA H 1.0 . 3.96 898 772 A 58 THR HG2% A 60 THR H 1.0 . 4.18 899 773 A 58 THR H A 58 THR HG2% 1.0 . 3.40 900 774 A 58 THR HG2% A 58 THR HA 1.0 . 2.64 901 775 A 58 THR HG2% A 57 ARG HDx 1.0 . 5.50 902 775 A 57 ARG HDy A 58 THR HG2% 1.0 . 5.50 903 776 A 61 MET HGx A 58 THR HG2% 1.0 . 5.50 904 777 A 115 LEU H A 114 THR HG2% 1.0 . 3.50 905 778 A 114 THR H A 114 THR HG2% 1.0 . 4.26 906 779 A 114 THR HA A 114 THR HG2% 1.0 . 3.18 907 780 A 76 GLY H A 118 THR HG2% 1.0 . 5.20 908 781 A 91 THR HA A 91 THR HG2% 1.0 . 3.09 909 782 A 79 SER H A 25 VAL HGx% 1.0 . 4.67 910 783 A 16 GLN HE2x A 25 VAL HGx% 1.0 . 5.12 911 784 A 26 SER H A 27 VAL HG1% 1.0 . 4.88 912 784 A 26 SER H A 27 VAL HG2% 1.0 . 4.88 913 785 A 28 SER H A 27 VAL HG1% 1.0 . 3.76 914 785 A 27 VAL HG2% A 28 SER H 1.0 . 3.76 915 786 A 27 VAL H A 27 VAL HG1% 1.0 . 4.01 916 786 A 27 VAL HG2% A 27 VAL H 1.0 . 4.01 917 787 A 27 VAL HA A 27 VAL HG1% 1.0 . 3.18 918 787 A 27 VAL HA A 27 VAL HG2% 1.0 . 3.18 919 788 A 25 VAL H A 25 VAL HGx% 1.0 . 3.53 920 789 A 25 VAL HGx% A 25 VAL HA 1.0 . 3.38 921 790 A 25 VAL HGx% A 23 PHE HBx 1.0 . 3.60 922 790 A 23 PHE HBy A 25 VAL HGx% 1.0 . 3.60 923 791 A 88 LEU HDy% A 25 VAL HGx% 1.0 . 3.23 924 792 A 27 VAL HG2% A 53 SER HBx 1.0 . 4.54 925 792 A 27 VAL HG1% A 53 SER HBx 1.0 . 4.54 926 792 A 53 SER HBy A 27 VAL HG1% 1.0 . 4.54 927 792 A 27 VAL HG2% A 53 SER HBy 1.0 . 4.54 928 793 A 60 THR HG2% A 61 MET H 1.0 . 3.70 929 794 A 78 VAL H A 118 THR HG2% 1.0 . 4.49 930 795 A 118 THR H A 118 THR HG2% 1.0 . 3.47 931 796 A 119 PHE H A 118 THR HG2% 1.0 . 3.83 932 797 A 118 THR HG2% A 118 THR HA 1.0 . 3.14 933 798 A 19 ASP H A 20 THR HG2% 1.0 . 4.68 934 799 A 20 THR H A 20 THR HG2% 1.0 . 2.92 935 800 A 16 GLN HE2y A 20 THR HG2% 1.0 . 4.97 936 801 A 16 GLN HE2x A 20 THR HG2% 1.0 . 4.57 937 802 A 20 THR HG2% A 17 SER HBx 1.0 . 5.34 938 802 A 20 THR HG2% A 17 SER HBy 1.0 . 5.34 939 803 A 118 THR HG2% A 77 SER HBx 1.0 . 3.47 940 803 A 77 SER HBy A 118 THR HG2% 1.0 . 3.47 941 804 A 20 THR HG2% A 17 SER H 1.0 . 3.83 942 805 A 20 THR HG2% A 19 ASP HA 1.0 . 4.89 943 806 A 20 THR HG2% A 17 SER HA 1.0 . 3.33 944 807 A 20 THR HA A 20 THR HG2% 1.0 . 3.16 945 808 A 16 GLN HBx A 20 THR HG2% 1.0 . 5.04 946 809 A 78 VAL HGy% A 78 VAL H 1.0 . 3.83 947 810 A 78 VAL HGy% A 79 SER H 1.0 . 3.60 948 811 A 108 TYR HD% A 78 VAL HGy% 1.0 . 3.84 949 812 A 79 SER HA A 78 VAL HGy% 1.0 . 4.60 950 813 A 78 VAL HGy% A 23 PHE HA 1.0 . 5.41 951 814 A 78 VAL HGy% A 25 VAL HA 1.0 . 4.74 952 815 A 78 VAL HGy% A 78 VAL HA 1.0 . 3.35 953 816 A 108 TYR HBy A 78 VAL HGy% 1.0 . 4.98 954 817 A 78 VAL HGy% A 23 PHE HBx 1.0 . 3.83 955 817 A 23 PHE HBy A 78 VAL HGy% 1.0 . 3.83 956 818 A 108 TYR HBx A 78 VAL HGy% 1.0 . 4.40 957 819 A 78 VAL HGy% A 25 VAL HGx% 1.0 . 4.18 958 820 A 73 THR H A 73 THR HG2% 1.0 . 3.76 959 821 A 74 CYS H A 73 THR HG2% 1.0 . 3.71 960 822 A 30 GLY H A 73 THR HG2% 1.0 . 4.32 961 823 A 71 PHE HD% A 73 THR HG2% 1.0 . 4.00 962 824 A 73 THR HA A 73 THR HG2% 1.0 . 3.40 963 825 A 31 GLY HAy A 73 THR HG2% 1.0 . 5.50 964 826 A 60 THR HG2% A 60 THR HA 1.0 . 3.25 965 827 A 60 THR HG2% A 59 ALA HB% 1.0 . 3.43 966 828 A 60 THR HG2% A 60 THR H 1.0 . 3.57 967 829 A 60 THR HG2% A 15 GLN HE2x 1.0 . 5.14 968 830 A 15 GLN HGy A 60 THR HG2% 1.0 . 4.01 969 831 A 101 VAL H A 101 VAL HGy% 1.0 . 3.61 970 832 A 96 ILE H A 101 VAL HGy% 1.0 . 3.68 971 833 A 102 ASN H A 101 VAL HGy% 1.0 . 4.35 972 834 A 95 TYR HA A 101 VAL HGy% 1.0 . 4.11 973 835 A 101 VAL HGy% A 101 VAL HA 1.0 . 2.94 974 836 A 100 GLU HA A 101 VAL HGy% 1.0 . 4.88 975 837 A 101 VAL HGy% A 99 LYS HEx 1.0 . 4.89 976 837 A 99 LYS HEy A 101 VAL HGy% 1.0 . 4.89 977 838 A 99 LYS HBx A 101 VAL HGy% 1.0 . 4.31 978 839 A 96 ILE HB A 101 VAL HGy% 1.0 . 3.40 979 840 A 96 ILE HG1x A 101 VAL HGy% 1.0 . 4.54 980 841 A 94 GLY HAx A 123 THR HA 1.0 . 4.85 981 842 A 38 ALA H A 37 PRO HA 1.0 . 2.90 982 843 A 37 PRO HA A 32 ALA HA 1.0 . 3.56 983 844 A 32 ALA HB% A 37 PRO HA 1.0 . 4.06 984 845 A 123 THR HA A 102 ASN HD2x 1.0 . 4.79 985 846 A 102 ASN HBy A 123 THR HA 1.0 . 4.74 986 847 A 78 VAL HGx% A 79 SER H 1.0 . 4.04 987 848 A 78 VAL HGx% A 23 PHE HBx 1.0 . 5.32 988 848 A 23 PHE HBy A 78 VAL HGx% 1.0 . 5.32 989 849 A 78 VAL HGx% A 78 VAL H 1.0 . 3.56 990 850 A 78 VAL HGx% A 119 PHE HE% 1.0 . 3.31 991 851 A 77 SER HA A 78 VAL HGx% 1.0 . 4.29 992 852 A 78 VAL HGx% A 78 VAL HA 1.0 . 3.35 993 853 A 78 VAL HGx% A 77 SER HBx 1.0 . 5.04 994 853 A 78 VAL HGx% A 77 SER HBy 1.0 . 5.04 995 854 A 117 GLU HBy A 78 VAL HGx% 1.0 . 4.53 996 855 A 92 VAL HGy% A 92 VAL H 1.0 . 3.60 997 856 A 92 VAL HGy% A 91 THR H 1.0 . 4.68 998 857 A 92 VAL HGy% A 119 PHE HZ 1.0 . 4.48 999 858 A 92 VAL HA A 92 VAL HGy% 1.0 . 3.10 1000 859 A 92 VAL HGy% A 91 THR HB 1.0 . 5.27 1001 860 A 74 CYS HBy A 92 VAL HGy% 1.0 . 5.11 1002 861 A 75 ALA H A 75 ALA HB% 1.0 . 3.10 1003 862 A 76 GLY H A 75 ALA HB% 1.0 . 3.55 1004 863 A 120 SER HA A 75 ALA HB% 1.0 . 4.45 1005 864 A 75 ALA HB% A 120 SER HBx 1.0 . 3.35 1006 864 A 120 SER HBy A 75 ALA HB% 1.0 . 3.35 1007 865 A 28 SER HBx A 75 ALA HB% 1.0 . 3.68 1008 866 A 37 PRO HA A 50 ASP HBx 1.0 . 4.26 1009 866 A 50 ASP HBy A 37 PRO HA 1.0 . 4.26 1010 867 A 66 ASN H A 65 THR HG2% 1.0 . 4.14 1011 868 A 10 HIS H A 65 THR HG2% 1.0 . 4.00 1012 869 A 65 THR HG2% A 65 THR H 1.0 . 3.42 1013 870 A 65 THR HG2% A 10 HIS HD2 1.0 . 5.37 1014 871 A 65 THR HG2% A 64 CYS HA 1.0 . 4.45 1015 872 A 65 THR HG2% A 65 THR HA 1.0 . 3.41 1016 873 A 10 HIS HBy A 65 THR HG2% 1.0 . 3.93 1017 874 A 69 ALA HB% A 65 THR HG2% 1.0 . 3.39 1018 875 A 25 VAL HGy% A 25 VAL H 1.0 . 4.25 1019 876 A 26 SER H A 25 VAL HGy% 1.0 . 3.45 1020 877 A 77 SER H A 25 VAL HGy% 1.0 . 4.60 1021 878 A 25 VAL HGy% A 119 PHE HZ 1.0 . 4.22 1022 879 A 25 VAL HGy% A 26 SER HA 1.0 . 5.29 1023 880 A 25 VAL HGy% A 25 VAL HA 1.0 . 3.30 1024 881 A 25 VAL HGy% A 78 VAL HA 1.0 . 4.34 1025 882 A 121 VAL HGy% A 104 LEU H 1.0 . 4.53 1026 883 A 121 VAL HGy% A 122 SER H 1.0 . 3.50 1027 884 A 102 ASN HD2y A 121 VAL HGy% 1.0 . 3.90 1028 885 A 121 VAL HGy% A 102 ASN HD2x 1.0 . 4.23 1029 886 A 121 VAL HGy% A 74 CYS HBy 1.0 . 3.92 1030 887 A 102 ASN HBy A 121 VAL HGy% 1.0 . 4.11 1031 888 A 121 VAL HGy% A 92 VAL HGy% 1.0 . 3.83 1032 889 A 121 VAL HGy% A 122 SER HA 1.0 . 4.57 1033 890 A 121 VAL HGy% A 121 VAL HA 1.0 . 3.34 1034 891 A 111 ASP H A 110 THR HA 1.0 . 2.90 1035 892 A 110 THR HA A 110 THR HG2% 1.0 . 3.30 1036 893 A 110 THR HA A 112 GLY H 1.0 . 4.09 1037 894 A 110 THR HA A 113 ASN H 1.0 . 4.93 1038 895 A 115 LEU HBy A 110 THR HA 1.0 . 5.50 1039 896 A 69 ALA HB% A 66 ASN H 1.0 . 4.48 1040 897 A 69 ALA HB% A 70 PHE H 1.0 . 3.43 1041 898 A 69 ALA HB% A 69 ALA H 1.0 . 3.30 1042 899 A 69 ALA HB% A 32 ALA H 1.0 . 5.24 1043 900 A 69 ALA HB% A 71 PHE H 1.0 . 3.95 1044 901 A 69 ALA HB% A 65 THR HB 1.0 . 3.55 1045 902 A 69 ALA HB% A 33 ASP HBx 1.0 . 4.23 1046 903 A 122 SER H A 121 VAL HA 1.0 . 2.68 1047 904 A 121 VAL HA A 102 ASN HD2x 1.0 . 4.87 1048 905 A 96 ILE HG1x A 96 ILE HA 1.0 . 4.08 1049 906 A 96 ILE HD1% A 96 ILE HA 1.0 . 5.00 1050 907 A 9 ILE HA A 65 THR H 1.0 . 4.99 1051 908 A 9 ILE HA A 10 HIS H 1.0 . 3.02 1052 909 A 59 ALA H A 59 ALA HB% 1.0 . 3.05 1053 910 A 60 THR H A 59 ALA HB% 1.0 . 3.31 1054 911 A 60 THR HA A 59 ALA HB% 1.0 . 4.67 1055 912 A 79 SER H A 78 VAL HA 1.0 . 2.92 1056 913 A 20 THR HG2% A 59 ALA HB% 1.0 . 5.50 1057 914 A 31 GLY H A 38 ALA HB% 1.0 . 4.12 1058 915 A 33 ASP H A 38 ALA HB% 1.0 . 4.27 1059 916 A 39 LYS H A 38 ALA HB% 1.0 . 3.68 1060 917 A 38 ALA HB% A 66 ASN HD2y 1.0 . 5.50 1061 918 A 38 ALA H A 38 ALA HB% 1.0 . 3.18 1062 919 A 32 ALA H A 38 ALA HB% 1.0 . 4.02 1063 920 A 31 GLY HAx A 38 ALA HB% 1.0 . 3.72 1064 921 A 33 ASP HBy A 38 ALA HB% 1.0 . 4.92 1065 922 A 33 ASP HBx A 38 ALA HB% 1.0 . 4.15 1066 923 A 69 ALA HB% A 38 ALA HB% 1.0 . 3.65 1067 924 A 38 ALA HB% A 40 LEU HDy% 1.0 . 4.45 1068 925 A 66 ASN H A 65 THR HA 1.0 . 3.30 1069 926 A 41 TYR H A 65 THR HA 1.0 . 4.39 1070 927 A 79 SER H A 25 VAL HA 1.0 . 3.89 1071 928 A 101 VAL HB A 101 VAL HA 1.0 . 2.93 1072 929 A 111 ASP H A 84 ALA HB% 1.0 . 4.90 1073 930 A 84 ALA HB% A 84 ALA H 1.0 . 2.91 1074 931 A 84 ALA HB% A 112 GLY H 1.0 . 4.22 1075 932 A 84 ALA HB% A 85 GLY H 1.0 . 3.40 1076 933 A 84 ALA HB% A 111 ASP HA 1.0 . 3.30 1077 934 A 84 ALA HB% A 112 GLY HAy 1.0 . 4.29 1078 935 A 84 ALA HB% A 83 GLU HA 1.0 . 4.07 1079 936 A 84 ALA HB% A 111 ASP HBy 1.0 . 4.84 1080 937 A 84 ALA HB% A 111 ASP HBx 1.0 . 4.98 1081 938 A 84 ALA HB% A 83 GLU HGx 1.0 . 5.40 1082 938 A 84 ALA HB% A 83 GLU HGy 1.0 . 5.40 1083 939 A 84 ALA HB% A 83 GLU HBx 1.0 . 4.85 1084 940 A 93 ILE HG2% A 93 ILE H 1.0 . 4.33 1085 941 A 93 ILE HG2% A 101 VAL H 1.0 . 4.56 1086 942 A 94 GLY H A 93 ILE HG2% 1.0 . 3.38 1087 943 A 102 ASN H A 93 ILE HG2% 1.0 . 4.49 1088 944 A 103 ARG HA A 93 ILE HG2% 1.0 . 4.30 1089 945 A 93 ILE HA A 93 ILE HG2% 1.0 . 3.28 1090 946 A 100 GLU HA A 93 ILE HG2% 1.0 . 4.21 1091 947 A 94 GLY HAx A 93 ILE HG2% 1.0 . 5.02 1092 948 A 100 GLU HGy A 93 ILE HG2% 1.0 . 3.42 1093 949 A 100 GLU HGx A 93 ILE HG2% 1.0 . 4.03 1094 950 A 13 VAL HA A 14 ILE H 1.0 . 2.77 1095 951 A 101 VAL HGx% A 101 VAL HA 1.0 . 4.09 1096 952 A 103 ARG HA A 93 ILE HA 1.0 . 3.37 1097 953 A 30 GLY HAy A 29 ILE HG2% 1.0 . 4.54 1098 954 A 30 GLY H A 29 ILE HG2% 1.0 . 3.20 1099 955 A 63 CYS HBx A 29 ILE HG2% 1.0 . 3.98 1100 956 A 101 VAL HGx% A 94 GLY H 1.0 . 4.99 1101 957 A 114 THR HA A 81 ILE HA 1.0 . 3.61 1102 958 A 81 ILE H A 81 ILE HG2% 1.0 . 3.89 1103 959 A 81 ILE HA A 81 ILE HG2% 1.0 . 3.02 1104 960 A 114 THR HA A 81 ILE HG2% 1.0 . 3.90 1105 961 A 30 GLY HAx A 29 ILE HG2% 1.0 . 4.79 1106 962 A 29 ILE H A 29 ILE HG2% 1.0 . 4.19 1107 963 A 52 TYR HD% A 29 ILE HG2% 1.0 . 4.07 1108 964 A 29 ILE HA A 29 ILE HG2% 1.0 . 3.20 1109 965 A 29 ILE HG2% A 52 TYR HEx 1.0 . 4.10 1110 966 A 95 TYR H A 101 VAL HGx% 1.0 . 5.15 1111 967 A 101 VAL HGx% A 101 VAL H 1.0 . 3.16 1112 968 A 101 VAL HGx% A 96 ILE H 1.0 . 4.00 1113 969 A 101 VAL HGx% A 95 TYR HA 1.0 . 3.65 1114 970 A 101 VAL HGx% A 123 THR HB 1.0 . 3.33 1115 971 A 101 VAL HGx% A 123 THR HA 1.0 . 3.47 1116 972 A 101 VAL HGx% A 100 GLU HA 1.0 . 4.20 1117 973 A 101 VAL HGx% A 96 ILE HG1x 1.0 . 3.91 1118 974 A 14 ILE HA A 15 GLN H 1.0 . 2.75 1119 975 A 64 CYS H A 72 MET HE% 1.0 . 4.08 1120 976 A 11 LYS H A 72 MET HE% 1.0 . 5.23 1121 977 A 12 ILE H A 72 MET HE% 1.0 . 3.28 1122 978 A 72 MET HE% A 30 GLY H 1.0 . 4.51 1123 979 A 72 MET HE% A 64 CYS HA 1.0 . 3.16 1124 980 A 72 MET HE% A 65 THR HA 1.0 . 5.10 1125 981 A 11 LYS HA A 72 MET HE% 1.0 . 3.42 1126 982 A 72 MET HE% A 63 CYS HA 1.0 . 4.23 1127 983 A 72 MET HE% A 30 GLY HAy 1.0 . 5.27 1128 984 A 72 MET HE% A 63 CYS HBx 1.0 . 3.03 1129 985 A 72 MET HGx A 72 MET HE% 1.0 . 3.10 1130 986 A 65 THR HG2% A 72 MET HE% 1.0 . 3.24 1131 987 A 72 MET HE% A 29 ILE HG2% 1.0 . 2.86 1132 988 A 101 VAL HGx% A 96 ILE HG1y 1.0 . 3.46 1133 989 A 14 ILE HA A 14 ILE HG1y 1.0 . 3.61 1134 990 A 57 ARG H A 56 ILE HA 1.0 . 2.85 1135 991 A 29 ILE HA A 52 TYR H 1.0 . 5.47 1136 992 A 29 ILE HA A 29 ILE HG1y 1.0 . 3.65 1137 993 A 29 ILE HA A 30 GLY H 1.0 . 2.80 1138 994 A 42 ASN H A 48 ILE HG2% 1.0 . 3.92 1139 995 A 47 TYR HA A 48 ILE HG2% 1.0 . 4.83 1140 996 A 48 ILE HG2% A 48 ILE HA 1.0 . 3.17 1141 997 A 42 ASN HBy A 48 ILE HG2% 1.0 . 3.89 1142 998 A 48 ILE H A 48 ILE HG2% 1.0 . 3.90 1143 999 A 42 ASN HD2y A 48 ILE HG2% 1.0 . 4.86 1144 1000 A 42 ASN HD2x A 48 ILE HG2% 1.0 . 4.20 1145 1001 A 42 ASN HBx A 48 ILE HG2% 1.0 . 3.42 1146 1002 A 78 VAL H A 118 THR HA 1.0 . 3.81 1147 1003 A 76 GLY H A 118 THR HA 1.0 . 4.52 1148 1004 A 119 PHE H A 118 THR HA 1.0 . 2.83 1149 1005 A 77 SER HA A 118 THR HA 1.0 . 3.20 1150 1006 A 58 THR HA A 59 ALA HB% 1.0 . 4.99 1151 1007 A 56 ILE HG2% A 58 THR HA 1.0 . 5.30 1152 1008 A 57 ARG HBy A 58 THR HA 1.0 . 4.67 1153 1009 A 58 THR H A 56 ILE HG2% 1.0 . 3.28 1154 1010 A 16 GLN HE2y A 56 ILE HG2% 1.0 . 3.57 1155 1011 A 16 GLN HE2x A 56 ILE HG2% 1.0 . 3.72 1156 1012 A 56 ILE HG2% A 56 ILE HA 1.0 . 3.32 1157 1013 A 56 ILE HD1% A 56 ILE HG2% 1.0 . 2.99 1158 1014 A 56 ILE HG2% A 61 MET HGx 1.0 . 4.35 1159 1015 A 49 GLY H A 48 ILE HG2% 1.0 . 5.47 1160 1016 A 110 THR HA A 109 ILE HA 1.0 . 4.92 1161 1017 A 15 GLN HGy A 60 THR HA 1.0 . 4.80 1162 1018 A 118 THR HA A 77 SER HBx 1.0 . 4.31 1163 1018 A 77 SER HBy A 118 THR HA 1.0 . 4.31 1164 1019 A 82 SER HA A 83 GLU H 1.0 . 2.84 1165 1020 A 82 SER HA A 83 GLU HBx 1.0 . 5.34 1166 1021 A 108 TYR HA A 109 ILE HA 1.0 . 4.46 1167 1022 A 34 LYS HBy A 34 LYS HA 1.0 . 2.99 1168 1023 A 13 VAL H A 12 ILE HG2% 1.0 . 3.41 1169 1024 A 12 ILE H A 12 ILE HG2% 1.0 . 4.20 1170 1025 A 12 ILE HA A 12 ILE HG2% 1.0 . 3.42 1171 1026 A 74 CYS HBy A 12 ILE HG2% 1.0 . 4.04 1172 1027 A 74 CYS HBx A 12 ILE HG2% 1.0 . 3.58 1173 1028 A 12 ILE HG1x A 12 ILE HG2% 1.0 . 3.83 1174 1029 A 110 THR H A 109 ILE HA 1.0 . 2.93 1175 1030 A 109 ILE HG1x A 109 ILE HA 1.0 . 3.72 1176 1031 A 34 LYS HEx A 34 LYS HA 1.0 . 5.47 1177 1032 A 34 LYS HA A 36 GLY H 1.0 . 4.66 1178 1033 A 33 ASP HBy A 34 LYS HA 1.0 . 4.79 1179 1034 A 34 LYS HA A 34 LYS HGx 1.0 . 3.67 1180 1034 A 34 LYS HGy A 34 LYS HA 1.0 . 3.67 1181 1035 A 14 ILE H A 61 MET HE% 1.0 . 4.71 1182 1036 A 63 CYS H A 61 MET HE% 1.0 . 4.49 1183 1037 A 62 SER H A 61 MET HE% 1.0 . 3.92 1184 1038 A 62 SER HA A 61 MET HE% 1.0 . 4.31 1185 1039 A 56 ILE HA A 61 MET HE% 1.0 . 5.41 1186 1040 A 61 MET HGy A 61 MET HE% 1.0 . 3.04 1187 1041 A 61 MET HBy A 61 MET HE% 1.0 . 3.33 1188 1042 A 61 MET HBx A 61 MET HE% 1.0 . 3.17 1189 1043 A 15 GLN H A 14 ILE HG2% 1.0 . 3.39 1190 1044 A 14 ILE HA A 14 ILE HG2% 1.0 . 3.19 1191 1045 A 80 SER HA A 81 ILE HD1% 1.0 . 5.34 1192 1046 A 9 ILE HG2% A 10 HIS HA 1.0 . 4.71 1193 1047 A 9 ILE HG1y A 9 ILE HG2% 1.0 . 3.67 1194 1048 A 117 GLU H A 116 ILE HG2% 1.0 . 3.73 1195 1049 A 116 ILE HA A 116 ILE HG2% 1.0 . 3.33 1196 1050 A 79 SER HBx A 116 ILE HG2% 1.0 . 5.08 1197 1051 A 116 ILE HG1y A 116 ILE HG2% 1.0 . 3.49 1198 1052 A 116 ILE HG1x A 116 ILE HG2% 1.0 . 2.96 1199 1053 A 61 MET H A 14 ILE HG2% 1.0 . 4.48 1200 1054 A 80 SER HA A 81 ILE H 1.0 . 2.89 1201 1055 A 79 SER HA A 80 SER HA 1.0 . 4.94 1202 1056 A 24 GLU H A 80 SER HA 1.0 . 4.63 1203 1057 A 109 ILE HG2% A 110 THR H 1.0 . 3.51 1204 1058 A 109 ILE HG2% A 109 ILE H 1.0 . 4.00 1205 1059 A 109 ILE HG2% A 85 GLY H 1.0 . 4.09 1206 1060 A 109 ILE HG2% A 87 ARG HA 1.0 . 4.46 1207 1061 A 109 ILE HG2% A 109 ILE HA 1.0 . 3.22 1208 1062 A 109 ILE HG2% A 85 GLY HAx 1.0 . 3.71 1209 1063 A 109 ILE HG2% A 87 ARG HDx 1.0 . 4.83 1210 1063 A 109 ILE HG2% A 87 ARG HDy 1.0 . 4.83 1211 1064 A 109 ILE HG2% A 109 ILE HG1y 1.0 . 3.63 1212 1065 A 97 ASP H A 9 ILE HG2% 1.0 . 5.06 1213 1066 A 65 THR H A 9 ILE HG2% 1.0 . 3.88 1214 1067 A 64 CYS HA A 9 ILE HG2% 1.0 . 4.56 1215 1068 A 9 ILE HG2% A 97 ASP HA 1.0 . 5.01 1216 1069 A 9 ILE HA A 9 ILE HG2% 1.0 . 3.38 1217 1070 A 64 CYS HBy A 9 ILE HG2% 1.0 . 3.51 1218 1071 A 64 CYS HBx A 9 ILE HG2% 1.0 . 4.01 1219 1072 A 10 HIS H A 9 ILE HG2% 1.0 . 3.51 1220 1073 A 79 SER HA A 116 ILE HG2% 1.0 . 4.71 1221 1074 A 23 PHE HA A 80 SER HA 1.0 . 4.39 1222 1075 A 90 ILE HG2% A 91 THR H 1.0 . 3.46 1223 1076 A 108 TYR HE% A 90 ILE HG2% 1.0 . 3.99 1224 1077 A 16 GLN HA A 90 ILE HG2% 1.0 . 4.56 1225 1078 A 90 ILE HG2% A 90 ILE HA 1.0 . 3.35 1226 1079 A 90 ILE HG2% A 90 ILE HG1y 1.0 . 3.90 1227 1080 A 90 ILE HG2% A 90 ILE HG1x 1.0 . 3.47 1228 1081 A 97 ASP H A 96 ILE HG2% 1.0 . 3.72 1229 1082 A 9 ILE H A 96 ILE HG2% 1.0 . 4.37 1230 1083 A 96 ILE H A 96 ILE HG2% 1.0 . 4.42 1231 1084 A 10 HIS HA A 96 ILE HG2% 1.0 . 4.52 1232 1085 A 96 ILE HA A 96 ILE HG2% 1.0 . 3.32 1233 1086 A 96 ILE HG2% A 8 GLY HAx 1.0 . 4.42 1234 1087 A 96 ILE HG1x A 96 ILE HG2% 1.0 . 3.61 1235 1088 A 27 VAL HA A 28 SER H 1.0 . 2.77 1236 1089 A 10 HIS HD2 A 96 ILE HG2% 1.0 . 4.62 1237 1090 A 96 ILE HD1% A 96 ILE HG2% 1.0 . 3.22 1238 1091 A 95 TYR H A 12 ILE HA 1.0 . 4.29 1239 1092 A 12 ILE HA A 95 TYR HE% 1.0 . 4.67 1240 1092 A 95 TYR HD% A 12 ILE HA 1.0 . 4.67 1241 1093 A 94 GLY HAx A 12 ILE HA 1.0 . 4.40 1242 1094 A 15 GLN H A 90 ILE HA 1.0 . 4.91 1243 1095 A 39 LYS HA A 47 TYR HD% 1.0 . 5.23 1244 1096 A 39 LYS HA A 50 ASP HA 1.0 . 3.85 1245 1097 A 39 LYS HA A 39 LYS HGy 1.0 . 3.84 1246 1098 A 121 VAL HGy% A 120 SER HA 1.0 . 5.34 1247 1099 A 52 TYR H A 51 SER HA 1.0 . 2.86 1248 1100 A 51 SER HA A 51 SER HBx 1.0 . 2.98 1249 1101 A 51 SER HA A 40 LEU HDx% 1.0 . 3.51 1250 1102 A 75 ALA HA A 120 SER HA 1.0 . 3.13 1251 1103 A 74 CYS HBy A 120 SER HA 1.0 . 4.62 1252 1104 A 14 ILE HD1% A 119 PHE HE% 1.0 . 4.49 1253 1105 A 14 ILE HD1% A 14 ILE HA 1.0 . 4.12 1254 1106 A 14 ILE HD1% A 74 CYS HBy 1.0 . 5.25 1255 1107 A 14 ILE HD1% A 14 ILE H 1.0 . 4.21 1256 1108 A 14 ILE HD1% A 119 PHE HZ 1.0 . 4.58 1257 1109 A 61 MET HBy A 14 ILE HD1% 1.0 . 4.65 1258 1110 A 14 ILE HD1% A 92 VAL HGy% 1.0 . 4.02 1259 1111 A 16 GLN HGx A 17 SER HA 1.0 . 4.60 1260 1112 A 17 SER HA A 18 GLY H 1.0 . 2.81 1261 1113 A 7 THR H A 5 PHE HA 1.0 . 5.50 1262 1114 A 17 SER HA A 17 SER HBx 1.0 . 2.86 1263 1114 A 17 SER HBy A 17 SER HA 1.0 . 2.86 1264 1115 A 28 SER HA A 29 ILE H 1.0 . 2.84 1265 1116 A 62 SER HBx A 63 CYS HA 1.0 . 5.11 1266 1117 A 6 GLN H A 5 PHE HA 1.0 . 2.84 1267 1118 A 100 GLU HA A 101 VAL H 1.0 . 3.02 1268 1119 A 100 GLU HA A 96 ILE H 1.0 . 4.51 1269 1120 A 102 ASN H A 100 GLU HA 1.0 . 3.98 1270 1121 A 28 SER HA A 29 ILE HG1y 1.0 . 4.30 1271 1122 A 123 THR HG2% A 71 PHE HA 1.0 . 5.30 1272 1123 A 72 MET H A 71 PHE HA 1.0 . 3.21 1273 1124 A 62 SER HA A 14 ILE H 1.0 . 3.85 1274 1125 A 62 SER HA A 63 CYS H 1.0 . 2.83 1275 1126 A 13 VAL HA A 62 SER HA 1.0 . 3.21 1276 1127 A 62 SER HA A 12 ILE HG2% 1.0 . 4.98 1277 1128 A 73 THR HG2% A 74 CYS HA 1.0 . 4.66 1278 1129 A 29 ILE HG1y A 74 CYS HA 1.0 . 4.30 1279 1130 A 29 ILE HG1x A 74 CYS HA 1.0 . 4.44 1280 1131 A 47 TYR HA A 47 TYR HD% 1.0 . 4.09 1281 1132 A 47 TYR HA A 41 TYR HA 1.0 . 3.74 1282 1133 A 48 ILE H A 47 TYR HA 1.0 . 3.07 1283 1134 A 47 TYR HA A 49 GLY H 1.0 . 4.33 1284 1135 A 47 TYR HA A 48 ILE HG12 1.0 . 4.80 1285 1135 A 47 TYR HA A 48 ILE HG13 1.0 . 4.80 1286 1136 A 95 TYR HA A 101 VAL H 1.0 . 3.63 1287 1137 A 95 TYR HA A 100 GLU HA 1.0 . 3.45 1288 1138 A 95 TYR HA A 96 ILE HG1y 1.0 . 4.75 1289 1139 A 55 GLN H A 26 SER HA 1.0 . 4.63 1290 1140 A 55 GLN HA A 26 SER HA 1.0 . 3.12 1291 1141 A 55 GLN HGy A 26 SER HA 1.0 . 4.96 1292 1142 A 26 SER HA A 27 VAL HG1% 1.0 . 4.24 1293 1142 A 27 VAL HG2% A 26 SER HA 1.0 . 4.24 1294 1143 A 96 ILE HD1% A 96 ILE H 1.0 . 4.86 1295 1144 A 96 ILE HD1% A 124 LYS H 1.0 . 5.14 1296 1145 A 96 ILE HD1% A 10 HIS HD2 1.0 . 5.50 1297 1146 A 96 ILE HD1% A 123 THR HB 1.0 . 3.63 1298 1147 A 124 LYS HEy A 96 ILE HD1% 1.0 . 5.50 1299 1148 A 96 ILE HD1% A 101 VAL HB 1.0 . 4.91 1300 1149 A 102 ASN H A 95 TYR HA 1.0 . 5.10 1301 1150 A 77 SER HA A 78 VAL H 1.0 . 2.81 1302 1151 A 77 SER HA A 118 THR HG2% 1.0 . 4.09 1303 1152 A 119 PHE HD% A 119 PHE HA 1.0 . 4.01 1304 1153 A 119 PHE HA A 119 PHE HBx 1.0 . 2.90 1305 1153 A 119 PHE HBy A 119 PHE HA 1.0 . 2.90 1306 1154 A 126 ILE H A 125 GLU HA 1.0 . 2.72 1307 1155 A 97 ASP HA A 98 ASP HA 1.0 . 4.77 1308 1156 A 9 ILE HB A 97 ASP HA 1.0 . 3.89 1309 1157 A 96 ILE HA A 10 HIS HA 1.0 . 3.54 1310 1158 A 96 ILE HG1y A 10 HIS HA 1.0 . 4.95 1311 1159 A 123 THR HG2% A 10 HIS HA 1.0 . 4.73 1312 1160 A 96 ILE HG1x A 10 HIS HA 1.0 . 4.71 1313 1161 A 97 ASP H A 10 HIS HA 1.0 . 4.48 1314 1162 A 71 PHE HBx A 124 LYS HA 1.0 . 4.75 1315 1163 A 9 ILE HD1% A 97 ASP HA 1.0 . 4.83 1316 1164 A 81 ILE H A 81 ILE HD1% 1.0 . 3.90 1317 1165 A 81 ILE HA A 81 ILE HD1% 1.0 . 4.47 1318 1166 A 81 ILE HB A 81 ILE HD1% 1.0 . 3.16 1319 1167 A 82 SER H A 81 ILE HD1% 1.0 . 4.90 1320 1168 A 27 VAL H A 53 SER HA 1.0 . 4.77 1321 1169 A 41 TYR HA A 48 ILE HG12 1.0 . 4.39 1322 1169 A 48 ILE HG13 A 41 TYR HA 1.0 . 4.39 1323 1170 A 48 ILE HG2% A 41 TYR HA 1.0 . 4.73 1324 1171 A 124 LYS HA A 125 GLU HGx 1.0 . 5.50 1325 1171 A 125 GLU HGy A 124 LYS HA 1.0 . 5.50 1326 1172 A 124 LYS HA A 124 LYS HDx 1.0 . 3.97 1327 1172 A 124 LYS HDy A 124 LYS HA 1.0 . 3.97 1328 1173 A 124 LYS HA A 124 LYS HGx 1.0 . 3.47 1329 1173 A 124 LYS HGy A 124 LYS HA 1.0 . 3.47 1330 1174 A 82 SER H A 83 GLU HA 1.0 . 5.50 1331 1175 A 93 ILE H A 93 ILE HD1% 1.0 . 4.08 1332 1176 A 94 GLY H A 93 ILE HD1% 1.0 . 4.97 1333 1177 A 93 ILE HD1% A 15 GLN HE2y 1.0 . 4.94 1334 1178 A 15 GLN HE2x A 93 ILE HD1% 1.0 . 3.71 1335 1179 A 92 VAL HA A 93 ILE HD1% 1.0 . 5.50 1336 1180 A 93 ILE HA A 93 ILE HD1% 1.0 . 4.84 1337 1181 A 91 THR HB A 93 ILE HD1% 1.0 . 4.31 1338 1182 A 93 ILE HB A 93 ILE HD1% 1.0 . 3.29 1339 1183 A 93 ILE HG2% A 93 ILE HD1% 1.0 . 3.23 1340 1184 A 80 SER HBy A 23 PHE HA 1.0 . 3.99 1341 1185 A 84 ALA H A 83 GLU HA 1.0 . 2.74 1342 1186 A 112 GLY HAx A 83 GLU HA 1.0 . 4.18 1343 1187 A 83 GLU HA A 83 GLU HGx 1.0 . 3.53 1344 1187 A 83 GLU HGy A 83 GLU HA 1.0 . 3.53 1345 1188 A 83 GLU HA A 83 GLU HBx 1.0 . 2.92 1346 1189 A 109 ILE HD1% A 88 LEU H 1.0 . 5.50 1347 1190 A 110 THR H A 109 ILE HD1% 1.0 . 5.04 1348 1191 A 109 ILE H A 109 ILE HD1% 1.0 . 4.54 1349 1192 A 109 ILE HD1% A 109 ILE HA 1.0 . 4.36 1350 1193 A 85 GLY HAx A 109 ILE HD1% 1.0 . 5.13 1351 1194 A 109 ILE HD1% A 87 ARG HDx 1.0 . 4.33 1352 1194 A 87 ARG HDy A 109 ILE HD1% 1.0 . 4.33 1353 1195 A 29 ILE HD1% A 52 TYR HEx 1.0 . 4.77 1354 1196 A 48 ILE HD1% A 41 TYR H 1.0 . 5.14 1355 1197 A 48 ILE HD1% A 48 ILE H 1.0 . 4.38 1356 1198 A 48 ILE HD1% A 42 ASN H 1.0 . 4.50 1357 1199 A 48 ILE HD1% A 52 TYR HD% 1.0 . 3.97 1358 1200 A 48 ILE HD1% A 52 TYR HEx 1.0 . 4.82 1359 1201 A 48 ILE HD1% A 42 ASN HA 1.0 . 4.59 1360 1202 A 48 ILE HD1% A 48 ILE HA 1.0 . 4.56 1361 1203 A 48 ILE HD1% A 42 ASN HBy 1.0 . 4.37 1362 1204 A 48 ILE HD1% A 42 ASN HBx 1.0 . 3.84 1363 1205 A 48 ILE HD1% A 48 ILE HB 1.0 . 3.37 1364 1206 A 48 ILE HD1% A 48 ILE HG2% 1.0 . 3.39 1365 1207 A 65 THR H A 64 CYS HA 1.0 . 3.07 1366 1208 A 11 LYS HA A 64 CYS HA 1.0 . 3.17 1367 1209 A 11 LYS HBx A 64 CYS HA 1.0 . 4.42 1368 1210 A 122 SER HA A 73 THR HA 1.0 . 3.15 1369 1211 A 7 THR HG2% A 70 PHE HA 1.0 . 4.76 1370 1212 A 31 GLY HAx A 72 MET HA 1.0 . 3.56 1371 1213 A 73 THR H A 72 MET HA 1.0 . 3.00 1372 1214 A 72 MET HA A 73 THR HG2% 1.0 . 4.62 1373 1215 A 6 GLN HA A 6 GLN HGx 1.0 . 3.56 1374 1216 A 45 GLY H A 43 ASP HA 1.0 . 4.28 1375 1217 A 43 ASP HA A 43 ASP HBy 1.0 . 2.88 1376 1218 A 43 ASP HBx A 43 ASP HA 1.0 . 2.91 1377 1219 A 29 ILE H A 29 ILE HD1% 1.0 . 4.48 1378 1220 A 54 ALA H A 29 ILE HD1% 1.0 . 5.01 1379 1221 A 29 ILE HD1% A 52 TYR HD% 1.0 . 3.87 1380 1222 A 29 ILE HA A 29 ILE HD1% 1.0 . 4.09 1381 1223 A 79 SER HA A 80 SER H 1.0 . 2.88 1382 1224 A 79 SER HA A 116 ILE HA 1.0 . 3.45 1383 1225 A 79 SER HA A 115 LEU HBx 1.0 . 4.17 1384 1226 A 122 SER HA A 123 THR H 1.0 . 3.00 1385 1227 A 122 SER HA A 121 VAL HA 1.0 . 5.15 1386 1228 A 103 ARG HA A 104 LEU HG 1.0 . 4.24 1387 1229 A 103 ARG HA A 94 GLY H 1.0 . 3.95 1388 1230 A 31 GLY HAy A 72 MET HA 1.0 . 3.45 1389 1231 A 61 MET HA A 61 MET HGx 1.0 . 3.64 1390 1232 A 116 ILE HA A 116 ILE HD1% 1.0 . 3.87 1391 1233 A 9 ILE H A 9 ILE HD1% 1.0 . 3.95 1392 1234 A 9 ILE HD1% A 9 ILE HA 1.0 . 4.10 1393 1235 A 67 GLY HAx A 9 ILE HD1% 1.0 . 4.74 1394 1236 A 126 ILE HA A 126 ILE HD1% 1.0 . 4.78 1395 1237 A 126 ILE HB A 126 ILE HD1% 1.0 . 3.81 1396 1238 A 103 ARG HA A 104 LEU H 1.0 . 2.87 1397 1239 A 62 SER H A 61 MET HA 1.0 . 2.79 1398 1240 A 45 GLY HAx A 44 LYS HA 1.0 . 5.15 1399 1241 A 79 SER HA A 116 ILE HD1% 1.0 . 4.79 1400 1242 A 16 GLN HE2x A 57 ARG HA 1.0 . 3.76 1401 1243 A 25 VAL H A 24 GLU HA 1.0 . 2.81 1402 1244 A 55 GLN HGx A 24 GLU HA 1.0 . 4.33 1403 1245 A 44 LYS HBy A 44 LYS HA 1.0 . 3.02 1404 1246 A 44 LYS HA A 44 LYS HDx 1.0 . 3.38 1405 1246 A 44 LYS HDy A 44 LYS HA 1.0 . 3.38 1406 1247 A 44 LYS HA A 44 LYS HGx 1.0 . 3.24 1407 1248 A 20 THR HG2% A 59 ALA HA 1.0 . 4.94 1408 1249 A 16 GLN H A 59 ALA HA 1.0 . 3.85 1409 1250 A 16 GLN HE2y A 59 ALA HA 1.0 . 4.57 1410 1251 A 16 GLN HGy A 59 ALA HA 1.0 . 3.94 1411 1252 A 16 GLN HGx A 59 ALA HA 1.0 . 3.90 1412 1253 A 11 LYS HA A 63 CYS HBx 1.0 . 5.38 1413 1254 A 57 ARG HA A 57 ARG HGx 1.0 . 3.27 1414 1254 A 57 ARG HGy A 57 ARG HA 1.0 . 3.27 1415 1255 A 100 GLU HA A 99 LYS HA 1.0 . 4.43 1416 1256 A 99 LYS HBx A 99 LYS HA 1.0 . 2.92 1417 1257 A 88 LEU HDy% A 90 ILE HD1% 1.0 . 3.52 1418 1258 A 91 THR H A 90 ILE HD1% 1.0 . 4.86 1419 1259 A 119 PHE HE% A 90 ILE HD1% 1.0 . 3.98 1420 1260 A 119 PHE HZ A 90 ILE HD1% 1.0 . 4.58 1421 1261 A 108 TYR HE% A 90 ILE HD1% 1.0 . 4.13 1422 1262 A 16 GLN HA A 90 ILE HD1% 1.0 . 4.29 1423 1263 A 90 ILE HA A 90 ILE HD1% 1.0 . 3.69 1424 1264 A 16 GLN HBx A 90 ILE HD1% 1.0 . 3.82 1425 1265 A 25 VAL HGx% A 90 ILE HD1% 1.0 . 3.16 1426 1266 A 25 VAL HGy% A 90 ILE HD1% 1.0 . 3.21 1427 1267 A 58 THR H A 57 ARG HA 1.0 . 3.52 1428 1268 A 57 ARG HA A 57 ARG HDx 1.0 . 4.45 1429 1268 A 57 ARG HDy A 57 ARG HA 1.0 . 4.45 1430 1269 A 115 LEU HA A 116 ILE H 1.0 . 2.74 1431 1270 A 115 LEU HDy% A 115 LEU HA 1.0 . 4.20 1432 1271 A 100 GLU H A 99 LYS HA 1.0 . 2.88 1433 1272 A 46 GLU HA A 46 GLU HGx 1.0 . 3.34 1434 1273 A 87 ARG HA A 88 LEU H 1.0 . 2.87 1435 1274 A 87 ARG HA A 109 ILE HA 1.0 . 3.43 1436 1275 A 87 ARG HA A 109 ILE HG1x 1.0 . 4.55 1437 1276 A 88 LEU HBx A 87 ARG HA 1.0 . 4.83 1438 1277 A 87 ARG HA A 87 ARG HGx 1.0 . 4.05 1439 1278 A 88 LEU HBy A 87 ARG HA 1.0 . 4.80 1440 1279 A 92 VAL HGx% A 105 GLU HA 1.0 . 4.85 1441 1280 A 105 GLU HA A 92 VAL H 1.0 . 4.26 1442 1281 A 117 GLU HA A 118 THR HG2% 1.0 . 4.50 1443 1282 A 105 GLU HA A 91 THR HA 1.0 . 3.33 1444 1283 A 118 THR H A 117 GLU HA 1.0 . 2.76 1445 1284 A 4 ASP HA A 5 PHE H 1.0 . 3.02 1446 1285 A 56 ILE H A 56 ILE HD1% 1.0 . 4.06 1447 1286 A 56 ILE HD1% A 27 VAL H 1.0 . 5.10 1448 1287 A 58 THR H A 56 ILE HD1% 1.0 . 5.07 1449 1288 A 61 MET HGy A 56 ILE HD1% 1.0 . 3.84 1450 1289 A 56 ILE HD1% A 15 GLN HA 1.0 . 5.09 1451 1290 A 56 ILE HD1% A 56 ILE HA 1.0 . 3.46 1452 1291 A 108 TYR H A 107 GLU HA 1.0 . 2.90 1453 1292 A 107 GLU HA A 107 GLU HGx 1.0 . 3.75 1454 1292 A 107 GLU HA A 107 GLU HGy 1.0 . 3.75 1455 1293 A 12 ILE HD1% A 95 TYR H 1.0 . 4.73 1456 1294 A 12 ILE HD1% A 74 CYS H 1.0 . 4.39 1457 1295 A 12 ILE HD1% A 12 ILE H 1.0 . 4.88 1458 1296 A 12 ILE HD1% A 122 SER HA 1.0 . 4.23 1459 1297 A 12 ILE HD1% A 12 ILE HA 1.0 . 3.31 1460 1298 A 12 ILE HD1% A 74 CYS HBy 1.0 . 3.46 1461 1299 A 12 ILE HD1% A 74 CYS HBx 1.0 . 3.75 1462 1300 A 12 ILE HD1% A 12 ILE HB 1.0 . 3.93 1463 1301 A 89 HIS HA A 107 GLU HGx 1.0 . 5.08 1464 1301 A 89 HIS HA A 107 GLU HGy 1.0 . 5.08 1465 1302 A 104 LEU HG A 104 LEU HA 1.0 . 3.72 1466 1303 A 105 GLU H A 104 LEU HA 1.0 . 2.76 1467 1304 A 104 LEU HA A 104 LEU HDy% 1.0 . 3.61 1468 1304 A 104 LEU HDx% A 104 LEU HA 1.0 . 3.61 1469 1305 A 19 ASP HBx A 86 LYS HA 1.0 . 4.07 1470 1306 A 107 GLU H A 106 LYS HA 1.0 . 2.64 1471 1307 A 106 LYS HA A 106 LYS HEx 1.0 . 4.57 1472 1307 A 106 LYS HEy A 106 LYS HA 1.0 . 4.57 1473 1308 A 106 LYS HA A 106 LYS HGx 1.0 . 3.44 1474 1308 A 106 LYS HGy A 106 LYS HA 1.0 . 3.44 1475 1309 A 106 LYS HA A 104 LEU HDy% 1.0 . 4.32 1476 1309 A 104 LEU HDx% A 106 LYS HA 1.0 . 4.32 1477 1310 A 15 GLN HA A 61 MET H 1.0 . 4.35 1478 1311 A 15 GLN HA A 56 ILE HG2% 1.0 . 5.08 1479 1312 A 15 GLN HA A 14 ILE HG2% 1.0 . 4.86 1480 1313 A 15 GLN HA A 60 THR HB 1.0 . 4.94 1481 1314 A 14 ILE HB A 15 GLN HA 1.0 . 4.63 1482 1315 A 15 GLN HA A 60 THR HG2% 1.0 . 4.44 1483 1316 A 87 ARG H A 86 LYS HA 1.0 . 3.06 1484 1317 A 86 LYS HDy A 86 LYS HA 1.0 . 3.78 1485 1318 A 50 ASP HA A 40 LEU HDx% 1.0 . 4.34 1486 1319 A 85 GLY H A 84 ALA HA 1.0 . 3.06 1487 1320 A 84 ALA HA A 111 ASP HA 1.0 . 3.81 1488 1321 A 110 THR H A 84 ALA HA 1.0 . 5.04 1489 1322 A 84 ALA HA A 83 GLU HBx 1.0 . 5.36 1490 1323 A 16 GLN HA A 90 ILE HA 1.0 . 3.42 1491 1324 A 40 LEU H A 50 ASP HA 1.0 . 4.00 1492 1325 A 52 TYR HEy A 50 ASP HA 1.0 . 4.98 1493 1326 A 111 ASP H A 84 ALA HA 1.0 . 4.81 1494 1327 A 19 ASP H A 88 LEU HA 1.0 . 3.95 1495 1328 A 66 ASN H A 40 LEU HA 1.0 . 4.67 1496 1329 A 65 THR HA A 40 LEU HA 1.0 . 4.09 1497 1330 A 40 LEU HG A 40 LEU HA 1.0 . 4.14 1498 1331 A 102 ASN HA A 103 ARG H 1.0 . 2.80 1499 1332 A 85 GLY H A 111 ASP HA 1.0 . 3.90 1500 1333 A 66 ASN HA A 67 GLY H 1.0 . 3.49 1501 1334 A 34 LYS H A 69 ALA HA 1.0 . 4.67 1502 1335 A 70 PHE H A 69 ALA HA 1.0 . 3.12 1503 1336 A 69 ALA HA A 33 ASP HA 1.0 . 3.58 1504 1337 A 33 ASP HBy A 69 ALA HA 1.0 . 3.58 1505 1338 A 33 ASP HBx A 69 ALA HA 1.0 . 3.38 1506 1339 A 38 ALA HB% A 69 ALA HA 1.0 . 5.50 1507 1340 A 71 PHE H A 69 ALA HA 1.0 . 4.24 1508 1341 A 70 PHE H A 33 ASP HA 1.0 . 3.55 1509 1342 A 34 LYS H A 33 ASP HA 1.0 . 3.37 1510 1343 A 32 ALA HA A 33 ASP HA 1.0 . 4.65 1511 1344 A 69 ALA HB% A 33 ASP HA 1.0 . 4.50 1512 1345 A 38 ALA HB% A 33 ASP HA 1.0 . 4.59 1513 1346 A 114 THR H A 113 ASN HA 1.0 . 3.13 1514 1347 A 54 ALA HA A 53 SER HA 1.0 . 4.44 1515 1348 A 54 ALA HA A 53 SER HBx 1.0 . 4.78 1516 1348 A 54 ALA HA A 53 SER HBy 1.0 . 4.78 1517 1349 A 55 GLN H A 54 ALA HA 1.0 . 2.60 1518 1350 A 54 ALA HA A 55 GLN HBx 1.0 . 4.59 1519 1351 A 32 ALA HA A 38 ALA HA 1.0 . 4.84 1520 1352 A 33 ASP HBx A 32 ALA HA 1.0 . 4.92 1521 1353 A 39 LYS HGy A 38 ALA HA 1.0 . 5.24 1522 1354 A 64 CYS H A 42 ASN HA 1.0 . 4.57 1523 1355 A 43 ASP H A 42 ASN HA 1.0 . 3.37 1524 1356 A 48 ILE HG2% A 42 ASN HA 1.0 . 4.81 1525 1357 A 33 ASP HBx A 38 ALA HA 1.0 . 4.85 1526 1358 A 33 ASP H A 38 ALA HA 1.0 . 4.85 1527 1359 A 75 ALA HA A 76 GLY H 1.0 . 2.80 1528 1360 A 75 ALA HA A 119 PHE H 1.0 . 4.74 1529 1361 A 36 GLY HAy A 37 PRO HDx 1.0 . 3.22 1530 1361 A 36 GLY HAy A 37 PRO HDy 1.0 . 3.22 1531 1362 A 36 GLY H A 37 PRO HDx 1.0 . 5.29 1532 1362 A 36 GLY H A 37 PRO HDy 1.0 . 5.29 1533 1363 A 10 HIS H A 65 THR HB 1.0 . 5.20 1534 1364 A 69 ALA HB% A 10 HIS H 1.0 . 5.05 1535 1365 A 75 ALA H A 74 CYS HA 1.0 . 2.88 1536 1366 A 75 ALA H A 120 SER HBx 1.0 . 5.14 1537 1366 A 120 SER HBy A 75 ALA H 1.0 . 5.14 1538 1367 A 74 CYS HBy A 75 ALA H 1.0 . 5.14 1539 1368 A 74 CYS HBx A 75 ALA H 1.0 . 4.94 1540 1369 A 73 THR HG2% A 75 ALA H 1.0 . 4.56 1541 1370 A 79 SER HA A 115 LEU H 1.0 . 5.13 1542 1371 A 80 SER HBy A 115 LEU H 1.0 . 5.50 1543 1372 A 80 SER H A 115 LEU H 1.0 . 3.94 1544 1373 A 114 THR HA A 115 LEU H 1.0 . 2.92 1545 1374 A 80 SER HBx A 115 LEU H 1.0 . 4.99 1546 1375 A 115 LEU HBy A 115 LEU H 1.0 . 3.74 1547 1376 A 115 LEU HBx A 115 LEU H 1.0 . 3.45 1548 1377 A 115 LEU H A 81 ILE HG2% 1.0 . 5.11 1549 1378 A 115 LEU HDx% A 115 LEU H 1.0 . 5.10 1550 1379 A 56 ILE H A 25 VAL H 1.0 . 4.14 1551 1380 A 25 VAL HB A 25 VAL H 1.0 . 3.35 1552 1381 A 78 VAL HGy% A 25 VAL H 1.0 . 5.50 1553 1382 A 97 ASP H A 96 ILE HG1x 1.0 . 5.50 1554 1383 A 97 ASP H A 98 ASP HA 1.0 . 5.50 1555 1384 A 97 ASP H A 96 ILE HA 1.0 . 2.92 1556 1385 A 96 ILE HB A 97 ASP H 1.0 . 5.05 1557 1386 A 29 ILE H A 30 GLY HAy 1.0 . 5.50 1558 1387 A 29 ILE H A 28 SER HBy 1.0 . 4.39 1559 1388 A 29 ILE HB A 29 ILE H 1.0 . 3.30 1560 1389 A 29 ILE H A 40 LEU HDy% 1.0 . 5.50 1561 1389 A 29 ILE H A 40 LEU HDx% 1.0 . 5.50 1562 1390 A 104 LEU H A 104 LEU HBx 1.0 . 3.29 1563 1390 A 104 LEU HBy A 104 LEU H 1.0 . 3.29 1564 1391 A 104 LEU H A 92 VAL HB 1.0 . 4.06 1565 1392 A 104 LEU H A 104 LEU HDy% 1.0 . 4.64 1566 1393 A 87 ARG H A 19 ASP H 1.0 . 4.21 1567 1394 A 19 ASP H A 18 GLY H 1.0 . 4.47 1568 1395 A 18 GLY HAy A 19 ASP H 1.0 . 3.01 1569 1396 A 19 ASP H A 18 GLY HAx 1.0 . 3.45 1570 1397 A 86 LYS HBx A 19 ASP H 1.0 . 5.16 1571 1398 A 88 LEU HBx A 19 ASP H 1.0 . 5.50 1572 1399 A 38 ALA H A 31 GLY H 1.0 . 4.06 1573 1400 A 33 ASP H A 38 ALA H 1.0 . 4.27 1574 1401 A 38 ALA H A 32 ALA HA 1.0 . 3.33 1575 1402 A 38 ALA H A 37 PRO HDx 1.0 . 5.10 1576 1402 A 38 ALA H A 37 PRO HDy 1.0 . 5.10 1577 1403 A 100 GLU H A 99 LYS H 1.0 . 5.08 1578 1404 A 100 GLU H A 100 GLU HBy 1.0 . 3.28 1579 1405 A 100 GLU H A 100 GLU HBx 1.0 . 3.62 1580 1406 A 57 ARG H A 16 GLN HE2x 1.0 . 5.50 1581 1407 A 57 ARG H A 58 THR HA 1.0 . 5.44 1582 1408 A 57 ARG H A 56 ILE HB 1.0 . 5.05 1583 1409 A 93 ILE H A 95 TYR HE% 1.0 . 5.11 1584 1409 A 95 TYR HD% A 93 ILE H 1.0 . 5.11 1585 1410 A 93 ILE H A 12 ILE HA 1.0 . 4.88 1586 1411 A 92 VAL HA A 93 ILE H 1.0 . 2.85 1587 1412 A 93 ILE H A 92 VAL HB 1.0 . 4.90 1588 1413 A 93 ILE HB A 93 ILE H 1.0 . 3.63 1589 1414 A 92 VAL H A 91 THR H 1.0 . 5.12 1590 1415 A 92 VAL H A 93 ILE HG1y 1.0 . 3.94 1591 1416 A 92 VAL H A 91 THR HA 1.0 . 2.74 1592 1417 A 92 VAL H A 91 THR HB 1.0 . 4.75 1593 1418 A 92 VAL H A 105 GLU HGx 1.0 . 5.50 1594 1419 A 92 VAL H A 92 VAL HB 1.0 . 3.59 1595 1420 A 57 ARG H A 56 ILE HG2% 1.0 . 4.57 1596 1421 A 57 ARG H A 57 ARG HBy 1.0 . 4.08 1597 1422 A 57 ARG H A 56 ILE HD1% 1.0 . 5.24 1598 1423 A 117 GLU H A 78 VAL HGy% 1.0 . 5.50 1599 1424 A 79 SER HA A 117 GLU H 1.0 . 4.62 1600 1425 A 117 GLU H A 116 ILE HA 1.0 . 3.10 1601 1426 A 126 ILE H A 125 GLU H 1.0 . 4.27 1602 1427 A 126 ILE H A 126 ILE HG1x 1.0 . 3.85 1603 1428 A 126 ILE H A 126 ILE HD1% 1.0 . 4.55 1604 1429 A 13 VAL H A 93 ILE H 1.0 . 3.92 1605 1430 A 13 VAL H A 12 ILE H 1.0 . 4.71 1606 1431 A 13 VAL H A 12 ILE HA 1.0 . 2.88 1607 1432 A 13 VAL H A 14 ILE HA 1.0 . 5.13 1608 1433 A 13 VAL H A 93 ILE HB 1.0 . 4.28 1609 1434 A 108 TYR HE% A 90 ILE H 1.0 . 5.39 1610 1435 A 90 ILE H A 89 HIS HA 1.0 . 2.82 1611 1436 A 90 ILE H A 89 HIS HBy 1.0 . 4.82 1612 1437 A 90 ILE H A 89 HIS HBx 1.0 . 4.59 1613 1438 A 90 ILE H A 90 ILE HG2% 1.0 . 4.50 1614 1439 A 90 ILE H A 89 HIS HD2 1.0 . 4.86 1615 1440 A 79 SER HA A 116 ILE H 1.0 . 5.50 1616 1441 A 117 GLU H A 116 ILE H 1.0 . 4.78 1617 1442 A 116 ILE H A 117 GLU HGx 1.0 . 5.13 1618 1443 A 116 ILE H A 116 ILE HG1x 1.0 . 4.17 1619 1444 A 116 ILE H A 116 ILE HD1% 1.0 . 5.34 1620 1445 A 15 GLN H A 15 GLN HGx 1.0 . 4.18 1621 1446 A 15 GLN H A 15 GLN HBx 1.0 . 3.69 1622 1447 A 14 ILE HB A 15 GLN H 1.0 . 4.22 1623 1448 A 15 GLN H A 56 ILE HG2% 1.0 . 4.74 1624 1449 A 15 GLN H A 90 ILE HD1% 1.0 . 5.50 1625 1450 A 61 MET HGx A 14 ILE H 1.0 . 5.50 1626 1451 A 61 MET HBy A 14 ILE H 1.0 . 5.04 1627 1452 A 14 ILE HB A 14 ILE H 1.0 . 3.32 1628 1453 A 61 MET H A 14 ILE H 1.0 . 3.78 1629 1454 A 14 ILE H A 62 SER HBy 1.0 . 5.50 1630 1455 A 14 ILE HG2% A 14 ILE H 1.0 . 4.22 1631 1456 A 104 LEU H A 105 GLU H 1.0 . 4.68 1632 1457 A 105 GLU H A 106 LYS H 1.0 . 4.54 1633 1458 A 91 THR HA A 105 GLU H 1.0 . 5.50 1634 1459 A 105 GLU H A 105 GLU HBx 1.0 . 3.44 1635 1460 A 105 GLU H A 104 LEU HBx 1.0 . 3.94 1636 1460 A 104 LEU HBy A 105 GLU H 1.0 . 3.94 1637 1461 A 88 LEU HBx A 89 HIS H 1.0 . 4.73 1638 1462 A 16 GLN HA A 89 HIS H 1.0 . 4.91 1639 1463 A 88 LEU HA A 89 HIS H 1.0 . 2.95 1640 1464 A 89 HIS HBy A 89 HIS H 1.0 . 3.61 1641 1465 A 89 HIS HBx A 89 HIS H 1.0 . 3.75 1642 1466 A 19 ASP H A 89 HIS H 1.0 . 5.17 1643 1467 A 105 GLU HGx A 105 GLU H 1.0 . 4.41 1644 1468 A 105 GLU H A 104 LEU HDy% 1.0 . 3.98 1645 1469 A 54 ALA H A 29 ILE H 1.0 . 5.09 1646 1470 A 54 ALA H A 52 TYR HD% 1.0 . 5.50 1647 1471 A 54 ALA H A 52 TYR HEx 1.0 . 5.50 1648 1472 A 54 ALA H A 53 SER HA 1.0 . 2.65 1649 1473 A 54 ALA H A 53 SER HBx 1.0 . 3.63 1650 1473 A 54 ALA H A 53 SER HBy 1.0 . 3.63 1651 1474 A 27 VAL HB A 54 ALA H 1.0 . 5.50 1652 1475 A 87 ARG H A 88 LEU H 1.0 . 4.95 1653 1476 A 108 TYR HD% A 88 LEU H 1.0 . 4.76 1654 1477 A 108 TYR HBx A 88 LEU H 1.0 . 4.38 1655 1478 A 88 LEU HBy A 88 LEU H 1.0 . 3.73 1656 1479 A 88 LEU HDy% A 88 LEU H 1.0 . 5.50 1657 1480 A 88 LEU HBx A 88 LEU H 1.0 . 3.97 1658 1481 A 12 ILE H A 11 LYS H 1.0 . 4.92 1659 1482 A 12 ILE H A 64 CYS HA 1.0 . 3.98 1660 1483 A 12 ILE H A 11 LYS HA 1.0 . 2.88 1661 1484 A 12 ILE H A 62 SER HBx 1.0 . 5.50 1662 1485 A 12 ILE H A 64 CYS HBx 1.0 . 4.98 1663 1486 A 12 ILE H A 63 CYS HBx 1.0 . 4.80 1664 1487 A 12 ILE HB A 12 ILE H 1.0 . 3.36 1665 1488 A 12 ILE H A 13 VAL HGy% 1.0 . 4.23 1666 1489 A 12 ILE H A 64 CYS HBy 1.0 . 5.50 1667 1490 A 108 TYR H A 88 LEU H 1.0 . 3.84 1668 1491 A 107 GLU H A 108 TYR H 1.0 . 4.87 1669 1492 A 87 ARG HA A 108 TYR H 1.0 . 5.10 1670 1493 A 108 TYR H A 89 HIS HA 1.0 . 4.30 1671 1494 A 108 TYR HBx A 108 TYR H 1.0 . 3.86 1672 1495 A 109 ILE HG1x A 108 TYR H 1.0 . 5.46 1673 1496 A 88 LEU HBy A 108 TYR H 1.0 . 4.52 1674 1497 A 88 LEU HDy% A 108 TYR H 1.0 . 5.50 1675 1498 A 88 LEU HBx A 108 TYR H 1.0 . 5.40 1676 1499 A 119 PHE HD% A 78 VAL H 1.0 . 5.50 1677 1500 A 78 VAL H A 77 SER HBx 1.0 . 3.64 1678 1501 A 117 GLU HBy A 78 VAL H 1.0 . 5.25 1679 1502 A 78 VAL H A 119 PHE H 1.0 . 5.30 1680 1503 A 78 VAL H A 118 THR HB 1.0 . 5.50 1681 1504 A 56 ILE H A 27 VAL H 1.0 . 4.36 1682 1505 A 56 ILE H A 26 SER HA 1.0 . 3.76 1683 1506 A 56 ILE H A 55 GLN HA 1.0 . 2.90 1684 1507 A 56 ILE H A 55 GLN HGx 1.0 . 3.89 1685 1508 A 56 ILE H A 25 VAL HGx% 1.0 . 4.39 1686 1509 A 62 SER H A 61 MET H 1.0 . 4.76 1687 1510 A 61 MET H A 60 THR H 1.0 . 4.70 1688 1511 A 61 MET H A 60 THR HA 1.0 . 2.76 1689 1512 A 60 THR HB A 61 MET H 1.0 . 3.66 1690 1513 A 61 MET HBx A 61 MET H 1.0 . 3.93 1691 1514 A 14 ILE HB A 61 MET H 1.0 . 4.09 1692 1515 A 56 ILE HG2% A 61 MET H 1.0 . 4.45 1693 1516 A 74 CYS H A 122 SER HA 1.0 . 3.92 1694 1517 A 74 CYS H A 73 THR HA 1.0 . 2.83 1695 1518 A 121 VAL HB A 74 CYS H 1.0 . 5.00 1696 1519 A 74 CYS H A 122 SER H 1.0 . 5.50 1697 1520 A 121 VAL H A 74 CYS HBy 1.0 . 4.20 1698 1521 A 74 CYS HBx A 121 VAL H 1.0 . 5.41 1699 1522 A 121 VAL H A 75 ALA HB% 1.0 . 5.50 1700 1523 A 121 VAL H A 122 SER H 1.0 . 4.88 1701 1524 A 121 VAL H A 119 PHE HD% 1.0 . 4.76 1702 1525 A 121 VAL H A 120 SER HA 1.0 . 2.80 1703 1526 A 75 ALA HA A 121 VAL H 1.0 . 3.88 1704 1527 A 121 VAL H A 120 SER HBx 1.0 . 3.74 1705 1527 A 121 VAL H A 120 SER HBy 1.0 . 3.74 1706 1528 A 121 VAL HGy% A 121 VAL H 1.0 . 4.58 1707 1529 A 125 GLU H A 124 LYS H 1.0 . 4.00 1708 1530 A 125 GLU H A 124 LYS HA 1.0 . 2.73 1709 1531 A 122 SER HBx A 125 GLU H 1.0 . 5.47 1710 1532 A 125 GLU H A 125 GLU HBy 1.0 . 3.22 1711 1533 A 124 LYS HBy A 125 GLU H 1.0 . 3.93 1712 1534 A 125 GLU H A 124 LYS HGx 1.0 . 3.89 1713 1534 A 124 LYS HGy A 125 GLU H 1.0 . 3.89 1714 1535 A 120 SER HA A 74 CYS H 1.0 . 5.02 1715 1536 A 46 GLU H A 47 TYR H 1.0 . 4.90 1716 1537 A 47 TYR H A 47 TYR HD% 1.0 . 3.96 1717 1538 A 47 TYR H A 41 TYR HA 1.0 . 5.50 1718 1539 A 47 TYR H A 46 GLU HA 1.0 . 2.85 1719 1540 A 47 TYR H A 47 TYR HBx 1.0 . 3.18 1720 1541 A 47 TYR H A 46 GLU HGx 1.0 . 4.40 1721 1542 A 47 TYR H A 46 GLU HBx 1.0 . 3.84 1722 1543 A 47 TYR H A 48 ILE HG2% 1.0 . 5.50 1723 1544 A 105 GLU HA A 106 LYS H 1.0 . 2.73 1724 1545 A 105 GLU HGx A 106 LYS H 1.0 . 5.17 1725 1546 A 105 GLU HBy A 106 LYS H 1.0 . 3.99 1726 1547 A 90 ILE HB A 106 LYS H 1.0 . 4.48 1727 1548 A 106 LYS HBy A 106 LYS H 1.0 . 3.49 1728 1549 A 106 LYS HBx A 106 LYS H 1.0 . 3.81 1729 1550 A 90 ILE HG2% A 106 LYS H 1.0 . 4.71 1730 1551 A 92 VAL H A 106 LYS H 1.0 . 5.40 1731 1552 A 53 SER H A 29 ILE H 1.0 . 5.50 1732 1553 A 52 TYR H A 53 SER H 1.0 . 4.82 1733 1554 A 53 SER H A 52 TYR HA 1.0 . 2.75 1734 1555 A 53 SER H A 53 SER HBx 1.0 . 3.34 1735 1555 A 53 SER H A 53 SER HBy 1.0 . 3.34 1736 1556 A 52 TYR HBx A 53 SER H 1.0 . 4.06 1737 1557 A 53 SER H A 54 ALA HB% 1.0 . 5.11 1738 1558 A 53 SER H A 52 TYR HEx 1.0 . 5.50 1739 1559 A 48 ILE H A 41 TYR HA 1.0 . 4.01 1740 1560 A 48 ILE H A 47 TYR HBy 1.0 . 4.96 1741 1561 A 48 ILE H A 47 TYR HBx 1.0 . 5.45 1742 1562 A 48 ILE H A 48 ILE HG12 1.0 . 3.64 1743 1562 A 48 ILE H A 48 ILE HG13 1.0 . 3.64 1744 1563 A 48 ILE H A 52 TYR HEy 1.0 . 5.36 1745 1564 A 48 ILE H A 49 GLY H 1.0 . 3.41 1746 1565 A 95 TYR H A 95 TYR HE% 1.0 . 3.73 1747 1565 A 95 TYR HD% A 95 TYR H 1.0 . 3.73 1748 1566 A 94 GLY HAy A 95 TYR H 1.0 . 3.04 1749 1567 A 95 TYR H A 11 LYS HBy 1.0 . 4.87 1750 1568 A 13 VAL H A 95 TYR H 1.0 . 5.50 1751 1569 A 95 TYR H A 94 GLY H 1.0 . 4.63 1752 1570 A 15 GLN H A 91 THR H 1.0 . 3.70 1753 1571 A 91 THR H A 89 HIS HD2 1.0 . 5.50 1754 1572 A 16 GLN HA A 91 THR H 1.0 . 4.27 1755 1573 A 90 ILE HA A 91 THR H 1.0 . 2.70 1756 1574 A 91 THR HB A 91 THR H 1.0 . 3.40 1757 1575 A 90 ILE HB A 91 THR H 1.0 . 4.69 1758 1576 A 91 THR HG2% A 91 THR H 1.0 . 5.24 1759 1577 A 91 THR H A 14 ILE HG2% 1.0 . 5.48 1760 1578 A 91 THR H A 90 ILE HG1x 1.0 . 5.31 1761 1579 A 59 ALA H A 58 THR HA 1.0 . 2.72 1762 1580 A 95 TYR H A 11 LYS H 1.0 . 3.69 1763 1581 A 11 LYS H A 10 HIS HA 1.0 . 2.85 1764 1582 A 11 LYS H A 96 ILE HA 1.0 . 4.30 1765 1583 A 10 HIS HBx A 11 LYS H 1.0 . 3.61 1766 1584 A 11 LYS HBy A 11 LYS H 1.0 . 3.75 1767 1585 A 11 LYS H A 95 TYR HE% 1.0 . 5.03 1768 1585 A 95 TYR HD% A 11 LYS H 1.0 . 5.03 1769 1586 A 11 LYS H A 64 CYS HA 1.0 . 5.48 1770 1587 A 95 TYR HBx A 11 LYS H 1.0 . 5.43 1771 1588 A 11 LYS H A 123 THR HG2% 1.0 . 4.37 1772 1589 A 11 LYS H A 96 ILE HG1x 1.0 . 5.50 1773 1590 A 26 SER H A 77 SER H 1.0 . 3.61 1774 1591 A 29 ILE HB A 52 TYR H 1.0 . 3.97 1775 1592 A 52 TYR H A 29 ILE H 1.0 . 3.65 1776 1593 A 51 SER H A 52 TYR H 1.0 . 4.97 1777 1594 A 52 TYR H A 29 ILE HG2% 1.0 . 5.16 1778 1595 A 52 TYR H A 40 LEU HDy% 1.0 . 3.90 1779 1595 A 52 TYR H A 40 LEU HDx% 1.0 . 3.90 1780 1596 A 26 SER H A 25 VAL H 1.0 . 4.76 1781 1597 A 26 SER H A 25 VAL HA 1.0 . 2.87 1782 1598 A 26 SER H A 78 VAL HA 1.0 . 3.97 1783 1599 A 26 SER H A 26 SER HBx 1.0 . 3.50 1784 1600 A 26 SER H A 25 VAL HB 1.0 . 5.06 1785 1601 A 26 SER H A 27 VAL H 1.0 . 5.38 1786 1602 A 26 SER H A 55 GLN HGy 1.0 . 5.50 1787 1603 A 6 GLN H A 7 THR H 1.0 . 4.01 1788 1604 A 6 GLN H A 5 PHE HBy 1.0 . 3.90 1789 1605 A 6 GLN H A 6 GLN HGy 1.0 . 3.93 1790 1605 A 6 GLN H A 6 GLN HGx 1.0 . 3.93 1791 1606 A 6 GLN H A 6 GLN HBx 1.0 . 3.26 1792 1607 A 70 PHE H A 32 ALA H 1.0 . 4.92 1793 1608 A 87 ARG H A 86 LYS HBx 1.0 . 3.39 1794 1609 A 87 ARG H A 86 LYS HDx 1.0 . 4.18 1795 1610 A 107 GLU H A 106 LYS H 1.0 . 4.66 1796 1611 A 107 GLU H A 89 HIS HA 1.0 . 5.28 1797 1612 A 107 GLU H A 107 GLU HBy 1.0 . 3.45 1798 1613 A 107 GLU H A 107 GLU HBx 1.0 . 3.45 1799 1614 A 107 GLU H A 106 LYS HGx 1.0 . 3.67 1800 1614 A 107 GLU H A 106 LYS HGy 1.0 . 3.67 1801 1615 A 72 MET HA A 32 ALA H 1.0 . 4.82 1802 1616 A 70 PHE HBx A 32 ALA H 1.0 . 5.37 1803 1617 A 31 GLY HAy A 32 ALA H 1.0 . 3.49 1804 1618 A 31 GLY HAx A 32 ALA H 1.0 . 3.41 1805 1619 A 84 ALA H A 83 GLU HBx 1.0 . 3.36 1806 1620 A 109 ILE H A 108 TYR HD% 1.0 . 4.47 1807 1621 A 109 ILE H A 108 TYR HA 1.0 . 2.84 1808 1622 A 108 TYR HBy A 109 ILE H 1.0 . 3.94 1809 1623 A 87 ARG H A 86 LYS H 1.0 . 5.00 1810 1624 A 97 ASP H A 99 LYS H 1.0 . 5.46 1811 1625 A 99 LYS H A 96 ILE H 1.0 . 3.92 1812 1626 A 95 TYR HA A 99 LYS H 1.0 . 4.66 1813 1627 A 95 TYR HBx A 99 LYS H 1.0 . 4.16 1814 1628 A 99 LYS HBx A 99 LYS H 1.0 . 3.12 1815 1629 A 96 ILE HB A 99 LYS H 1.0 . 4.81 1816 1630 A 99 LYS H A 96 ILE HG2% 1.0 . 5.50 1817 1631 A 98 ASP HBx A 99 LYS H 1.0 . 4.55 1818 1632 A 3 SER H A 4 ASP H 1.0 . 4.30 1819 1633 A 4 ASP H A 3 SER HA 1.0 . 3.44 1820 1634 A 4 ASP H A 3 SER HBx 1.0 . 4.57 1821 1635 A 4 ASP H A 4 ASP HBx 1.0 . 3.41 1822 1635 A 4 ASP H A 4 ASP HBy 1.0 . 3.41 1823 1636 A 8 GLY H A 69 ALA H 1.0 . 5.50 1824 1637 A 86 LYS HBy A 86 LYS H 1.0 . 3.60 1825 1638 A 86 LYS H A 86 LYS HGx 1.0 . 3.60 1826 1638 A 86 LYS HGy A 86 LYS H 1.0 . 3.60 1827 1639 A 86 LYS H A 110 THR HG2% 1.0 . 4.78 1828 1640 A 85 GLY H A 86 LYS H 1.0 . 3.45 1829 1641 A 109 ILE HA A 86 LYS H 1.0 . 5.44 1830 1642 A 33 ASP H A 32 ALA H 1.0 . 4.97 1831 1643 A 33 ASP H A 32 ALA HA 1.0 . 2.75 1832 1644 A 33 ASP H A 37 PRO HA 1.0 . 4.28 1833 1645 A 33 ASP H A 34 LYS H 1.0 . 5.13 1834 1646 A 39 LYS H A 38 ALA HA 1.0 . 2.85 1835 1647 A 39 LYS H A 39 LYS HGy 1.0 . 3.47 1836 1648 A 39 LYS H A 39 LYS HGx 1.0 . 3.51 1837 1649 A 38 ALA H A 39 LYS H 1.0 . 5.49 1838 1650 A 64 CYS H A 41 TYR HD% 1.0 . 5.32 1839 1651 A 64 CYS H A 40 LEU HDy% 1.0 . 5.50 1840 1651 A 64 CYS H A 40 LEU HDx% 1.0 . 5.50 1841 1652 A 64 CYS H A 41 TYR H 1.0 . 3.48 1842 1653 A 64 CYS H A 63 CYS H 1.0 . 4.54 1843 1654 A 64 CYS H A 63 CYS HA 1.0 . 2.80 1844 1655 A 41 TYR HBy A 64 CYS H 1.0 . 4.63 1845 1656 A 63 CYS HBy A 64 CYS H 1.0 . 3.69 1846 1657 A 40 LEU HBx A 64 CYS H 1.0 . 5.16 1847 1658 A 95 TYR H A 101 VAL H 1.0 . 5.50 1848 1659 A 101 VAL H A 95 TYR HE% 1.0 . 5.14 1849 1659 A 95 TYR HD% A 101 VAL H 1.0 . 5.14 1850 1660 A 100 GLU HGx A 101 VAL H 1.0 . 4.33 1851 1661 A 62 SER H A 63 CYS H 1.0 . 5.00 1852 1662 A 11 LYS HA A 63 CYS H 1.0 . 5.17 1853 1663 A 13 VAL HA A 63 CYS H 1.0 . 4.60 1854 1664 A 62 SER HBx A 63 CYS H 1.0 . 3.51 1855 1665 A 63 CYS HBx A 63 CYS H 1.0 . 3.66 1856 1666 A 12 ILE HB A 63 CYS H 1.0 . 4.28 1857 1667 A 104 LEU HA A 103 ARG H 1.0 . 5.28 1858 1668 A 102 ASN HBy A 103 ARG H 1.0 . 4.35 1859 1669 A 102 ASN HBx A 103 ARG H 1.0 . 4.01 1860 1670 A 103 ARG HBy A 103 ARG H 1.0 . 4.15 1861 1671 A 121 VAL HGy% A 103 ARG H 1.0 . 5.50 1862 1672 A 104 LEU H A 103 ARG H 1.0 . 4.49 1863 1673 A 102 ASN H A 103 ARG H 1.0 . 4.28 1864 1674 A 102 ASN HD2x A 103 ARG H 1.0 . 5.50 1865 1675 A 103 ARG HBx A 103 ARG H 1.0 . 3.75 1866 1676 A 23 PHE HA A 81 ILE H 1.0 . 5.50 1867 1677 A 80 SER H A 81 ILE H 1.0 . 5.12 1868 1678 A 82 SER H A 81 ILE H 1.0 . 3.19 1869 1679 A 82 SER HA A 81 ILE H 1.0 . 4.66 1870 1680 A 80 SER HBy A 81 ILE H 1.0 . 4.50 1871 1681 A 82 SER HBx A 81 ILE H 1.0 . 4.88 1872 1682 A 80 SER HBx A 81 ILE H 1.0 . 4.77 1873 1683 A 46 GLU H A 45 GLY H 1.0 . 3.47 1874 1684 A 44 LYS H A 46 GLU H 1.0 . 4.06 1875 1685 A 46 GLU H A 41 TYR HD% 1.0 . 5.31 1876 1686 A 46 GLU H A 41 TYR HA 1.0 . 5.33 1877 1687 A 41 TYR HBy A 46 GLU H 1.0 . 5.50 1878 1688 A 46 GLU H A 46 GLU HGx 1.0 . 3.32 1879 1689 A 46 GLU H A 46 GLU HBy 1.0 . 3.31 1880 1690 A 46 GLU H A 44 LYS HBx 1.0 . 4.03 1881 1691 A 46 GLU H A 48 ILE HG2% 1.0 . 5.50 1882 1692 A 16 GLN H A 60 THR H 1.0 . 5.50 1883 1693 A 15 GLN HA A 16 GLN H 1.0 . 2.76 1884 1694 A 16 GLN H A 16 GLN HGy 1.0 . 3.66 1885 1695 A 16 GLN H A 16 GLN HGx 1.0 . 3.80 1886 1696 A 16 GLN H A 15 GLN HBy 1.0 . 3.63 1887 1697 A 16 GLN H A 16 GLN HBx 1.0 . 4.00 1888 1698 A 121 VAL HGx% A 122 SER H 1.0 . 4.43 1889 1699 A 22 SER HBy A 23 PHE H 1.0 . 4.25 1890 1700 A 88 LEU HDx% A 23 PHE H 1.0 . 5.50 1891 1701 A 22 SER H A 23 PHE H 1.0 . 3.18 1892 1702 A 20 THR HA A 23 PHE H 1.0 . 4.55 1893 1703 A 23 PHE H A 23 PHE HBx 1.0 . 3.24 1894 1703 A 23 PHE HBy A 23 PHE H 1.0 . 3.24 1895 1704 A 25 VAL HGx% A 23 PHE H 1.0 . 5.50 1896 1705 A 24 GLU H A 23 PHE H 1.0 . 4.74 1897 1706 A 16 GLN H A 56 ILE HG2% 1.0 . 5.36 1898 1707 A 9 ILE H A 7 THR HA 1.0 . 5.21 1899 1708 A 97 ASP H A 9 ILE H 1.0 . 4.02 1900 1709 A 9 ILE H A 8 GLY H 1.0 . 4.99 1901 1710 A 9 ILE H A 8 GLY HAx 1.0 . 3.25 1902 1711 A 9 ILE HG1y A 9 ILE H 1.0 . 3.83 1903 1712 A 9 ILE H A 97 ASP HA 1.0 . 4.29 1904 1713 A 102 ASN HD2y A 122 SER H 1.0 . 4.03 1905 1714 A 122 SER H A 102 ASN HD2x 1.0 . 4.35 1906 1715 A 73 THR HA A 122 SER H 1.0 . 5.17 1907 1716 A 122 SER HBx A 122 SER H 1.0 . 3.41 1908 1717 A 121 VAL HB A 122 SER H 1.0 . 4.54 1909 1718 A 111 ASP H A 113 ASN H 1.0 . 3.85 1910 1719 A 113 ASN H A 113 ASN HD2y 1.0 . 4.13 1911 1720 A 113 ASN H A 113 ASN HD2x 1.0 . 4.89 1912 1721 A 113 ASN HBy A 113 ASN H 1.0 . 3.17 1913 1722 A 25 VAL H A 24 GLU H 1.0 . 4.64 1914 1723 A 23 PHE HA A 24 GLU H 1.0 . 2.96 1915 1724 A 24 GLU H A 23 PHE HBx 1.0 . 3.49 1916 1724 A 23 PHE HBy A 24 GLU H 1.0 . 3.49 1917 1725 A 24 GLU H A 24 GLU HBx 1.0 . 3.51 1918 1726 A 78 VAL HGy% A 24 GLU H 1.0 . 5.13 1919 1727 A 71 PHE HBy A 124 LYS H 1.0 . 5.01 1920 1728 A 124 LYS H A 122 SER HA 1.0 . 4.36 1921 1729 A 80 SER HBy A 24 GLU H 1.0 . 5.20 1922 1730 A 79 SER H A 23 PHE HA 1.0 . 4.86 1923 1731 A 79 SER H A 24 GLU H 1.0 . 3.59 1924 1732 A 79 SER H A 24 GLU HBx 1.0 . 4.36 1925 1733 A 80 SER HBy A 82 SER H 1.0 . 4.51 1926 1734 A 82 SER H A 81 ILE HA 1.0 . 3.34 1927 1735 A 82 SER H A 82 SER HBx 1.0 . 3.43 1928 1736 A 6 GLN H A 5 PHE H 1.0 . 3.86 1929 1737 A 5 PHE H A 5 PHE HBy 1.0 . 3.81 1930 1738 A 5 PHE HBx A 5 PHE H 1.0 . 3.29 1931 1739 A 5 PHE H A 4 ASP HBx 1.0 . 3.85 1932 1739 A 5 PHE H A 4 ASP HBy 1.0 . 3.85 1933 1740 A 124 LYS H A 123 THR H 1.0 . 3.34 1934 1741 A 72 MET H A 124 LYS H 1.0 . 4.89 1935 1742 A 123 THR HB A 124 LYS H 1.0 . 4.98 1936 1743 A 122 SER HBx A 124 LYS H 1.0 . 3.56 1937 1744 A 71 PHE HBx A 124 LYS H 1.0 . 4.34 1938 1745 A 124 LYS HBx A 124 LYS H 1.0 . 3.66 1939 1746 A 79 SER H A 23 PHE HBx 1.0 . 4.85 1940 1746 A 23 PHE HBy A 79 SER H 1.0 . 4.85 1941 1747 A 55 GLN H A 53 SER HBx 1.0 . 5.50 1942 1747 A 55 GLN H A 53 SER HBy 1.0 . 5.50 1943 1748 A 56 ILE H A 55 GLN H 1.0 . 4.60 1944 1749 A 55 GLN HGy A 55 GLN H 1.0 . 4.62 1945 1750 A 55 GLN H A 55 GLN HBy 1.0 . 3.20 1946 1751 A 55 GLN H A 55 GLN HBx 1.0 . 3.26 1947 1752 A 55 GLN H A 54 ALA HB% 1.0 . 3.33 1948 1753 A 52 TYR HEy A 40 LEU H 1.0 . 3.71 1949 1754 A 39 LYS HA A 40 LEU H 1.0 . 3.03 1950 1755 A 40 LEU H A 50 ASP HBx 1.0 . 5.10 1951 1755 A 50 ASP HBy A 40 LEU H 1.0 . 5.10 1952 1756 A 39 LYS HBy A 40 LEU H 1.0 . 4.51 1953 1757 A 40 LEU HBy A 40 LEU H 1.0 . 3.44 1954 1758 A 40 LEU HBx A 40 LEU H 1.0 . 4.12 1955 1759 A 40 LEU H A 40 LEU HDy% 1.0 . 4.24 1956 1759 A 40 LEU H A 40 LEU HDx% 1.0 . 4.24 1957 1760 A 72 MET H A 10 HIS HE1 1.0 . 5.50 1958 1761 A 102 ASN H A 101 VAL H 1.0 . 2.90 1959 1762 A 102 ASN H A 94 GLY H 1.0 . 3.82 1960 1763 A 102 ASN H A 100 GLU HGy 1.0 . 4.08 1961 1764 A 102 ASN H A 100 GLU HGx 1.0 . 3.98 1962 1765 A 102 ASN H A 101 VAL HGx% 1.0 . 3.79 1963 1766 A 23 PHE H A 21 ASP H 1.0 . 4.57 1964 1767 A 19 ASP HA A 21 ASP H 1.0 . 4.11 1965 1768 A 22 SER HBy A 21 ASP H 1.0 . 5.05 1966 1769 A 21 ASP H A 21 ASP HBx 1.0 . 3.02 1967 1769 A 21 ASP HBy A 21 ASP H 1.0 . 3.02 1968 1770 A 20 THR HG2% A 21 ASP H 1.0 . 4.59 1969 1771 A 88 LEU HDx% A 21 ASP H 1.0 . 5.50 1970 1772 A 82 SER HBy A 83 GLU H 1.0 . 3.14 1971 1773 A 82 SER HBx A 83 GLU H 1.0 . 3.46 1972 1774 A 83 GLU H A 83 GLU HGx 1.0 . 3.43 1973 1774 A 83 GLU HGy A 83 GLU H 1.0 . 3.43 1974 1775 A 83 GLU HBx A 83 GLU H 1.0 . 3.12 1975 1776 A 83 GLU H A 86 LYS HGx 1.0 . 4.88 1976 1776 A 86 LYS HGy A 83 GLU H 1.0 . 4.88 1977 1777 A 110 THR HG2% A 83 GLU H 1.0 . 5.50 1978 1778 A 114 THR H A 113 ASN HBx 1.0 . 3.51 1979 1779 A 44 LYS H A 45 GLY H 1.0 . 3.14 1980 1780 A 44 LYS H A 42 ASN HBy 1.0 . 4.50 1981 1781 A 44 LYS H A 43 ASP HBy 1.0 . 5.18 1982 1782 A 44 LYS H A 44 LYS HBy 1.0 . 3.76 1983 1783 A 44 LYS H A 44 LYS HBx 1.0 . 3.26 1984 1784 A 44 LYS H A 42 ASN HA 1.0 . 5.29 1985 1785 A 41 TYR HE% A 41 TYR H 1.0 . 5.15 1986 1786 A 41 TYR H A 40 LEU HA 1.0 . 3.04 1987 1787 A 41 TYR HBy A 41 TYR H 1.0 . 3.77 1988 1788 A 40 LEU HBx A 41 TYR H 1.0 . 3.89 1989 1789 A 41 TYR H A 40 LEU HDy% 1.0 . 4.34 1990 1789 A 41 TYR H A 40 LEU HDx% 1.0 . 4.34 1991 1790 A 40 LEU H A 41 TYR H 1.0 . 5.31 1992 1791 A 41 TYR HBx A 41 TYR H 1.0 . 4.10 1993 1792 A 40 LEU HBy A 41 TYR H 1.0 . 4.71 1994 1793 A 48 ILE H A 42 ASN H 1.0 . 4.78 1995 1794 A 42 ASN H A 41 TYR HA 1.0 . 3.12 1996 1795 A 42 ASN H A 42 ASN HBy 1.0 . 4.06 1997 1796 A 42 ASN H A 42 ASN HBx 1.0 . 3.48 1998 1797 A 33 ASP HBy A 34 LYS H 1.0 . 3.15 1999 1798 A 33 ASP HBx A 34 LYS H 1.0 . 3.61 2000 1799 A 109 ILE H A 110 THR H 1.0 . 5.23 2001 1800 A 110 THR H A 86 LYS H 1.0 . 3.79 2002 1801 A 110 THR H A 85 GLY H 1.0 . 4.49 2003 1802 A 87 ARG HA A 110 THR H 1.0 . 4.46 2004 1803 A 85 GLY HAx A 110 THR H 1.0 . 5.50 2005 1804 A 42 ASN H A 41 TYR H 1.0 . 5.44 2006 1805 A 73 THR H A 30 GLY H 1.0 . 4.10 2007 1806 A 29 ILE HA A 73 THR H 1.0 . 5.50 2008 1807 A 31 GLY HAy A 73 THR H 1.0 . 4.06 2009 1808 A 73 THR H A 73 THR HB 1.0 . 3.61 2010 1809 A 73 THR H A 31 GLY HAx 1.0 . 4.51 2011 1810 A 73 THR H A 29 ILE HG2% 1.0 . 5.42 2012 1811 A 28 SER H A 76 GLY HAx 1.0 . 5.45 2013 1811 A 76 GLY HAy A 28 SER H 1.0 . 5.45 2014 1812 A 50 ASP H A 50 ASP HBx 1.0 . 3.31 2015 1812 A 50 ASP HBy A 50 ASP H 1.0 . 3.31 2016 1813 A 49 GLY HAy A 50 ASP H 1.0 . 3.22 2017 1814 A 49 GLY HAx A 50 ASP H 1.0 . 3.39 2018 1815 A 50 ASP H A 40 LEU HDy% 1.0 . 5.50 2019 1815 A 40 LEU HDx% A 50 ASP H 1.0 . 5.50 2020 1816 A 13 VAL HA A 62 SER H 1.0 . 4.42 2021 1817 A 62 SER H A 62 SER HBy 1.0 . 3.60 2022 1818 A 62 SER H A 61 MET HGx 1.0 . 3.91 2023 1819 A 61 MET HBy A 62 SER H 1.0 . 3.75 2024 1820 A 29 ILE H A 28 SER H 1.0 . 4.75 2025 1821 A 76 GLY H A 28 SER H 1.0 . 5.50 2026 1822 A 27 VAL HB A 28 SER H 1.0 . 3.41 2027 1823 A 29 ILE HG1y A 28 SER H 1.0 . 5.22 2028 1824 A 28 SER H A 75 ALA HB% 1.0 . 4.74 2029 1825 A 28 SER H A 74 CYS HA 1.0 . 4.51 2030 1826 A 28 SER H A 28 SER HBx 1.0 . 3.59 2031 1827 A 43 ASP H A 48 ILE HG2% 1.0 . 5.50 2032 1828 A 48 ILE HD1% A 43 ASP H 1.0 . 5.50 2033 1829 A 44 LYS H A 43 ASP H 1.0 . 3.52 2034 1830 A 42 ASN HBy A 43 ASP H 1.0 . 3.02 2035 1831 A 43 ASP HBx A 43 ASP H 1.0 . 3.53 2036 1832 A 43 ASP H A 44 LYS HBx 1.0 . 5.09 2037 1833 A 97 ASP H A 96 ILE H 1.0 . 5.01 2038 1834 A 95 TYR H A 96 ILE H 1.0 . 5.18 2039 1835 A 101 VAL H A 96 ILE H 1.0 . 4.52 2040 1836 A 95 TYR HA A 96 ILE H 1.0 . 2.94 2041 1837 A 95 TYR HBy A 96 ILE H 1.0 . 4.49 2042 1838 A 96 ILE HB A 96 ILE H 1.0 . 3.43 2043 1839 A 96 ILE H A 96 ILE HG1x 1.0 . 4.96 2044 1840 A 95 TYR HBx A 96 ILE H 1.0 . 3.81 2045 1841 A 52 TYR HEy A 50 ASP H 1.0 . 5.10 2046 1842 A 39 LYS HGy A 50 ASP H 1.0 . 5.50 2047 1843 A 119 PHE H A 120 SER HBx 1.0 . 5.50 2048 1843 A 119 PHE H A 120 SER HBy 1.0 . 5.50 2049 1844 A 120 SER HA A 119 PHE H 1.0 . 5.05 2050 1845 A 119 PHE H A 77 SER HBx 1.0 . 5.34 2051 1846 A 119 PHE H A 76 GLY HAx 1.0 . 4.66 2052 1846 A 76 GLY HAy A 119 PHE H 1.0 . 4.66 2053 1847 A 118 THR H A 119 PHE H 1.0 . 4.72 2054 1848 A 76 GLY H A 119 PHE H 1.0 . 3.55 2055 1849 A 118 THR HB A 119 PHE H 1.0 . 3.04 2056 1850 A 119 PHE H A 119 PHE HBx 1.0 . 4.15 2057 1850 A 119 PHE HBy A 119 PHE H 1.0 . 4.15 2058 1851 A 119 PHE H A 75 ALA HB% 1.0 . 5.50 2059 1852 A 113 ASN HD2y A 113 ASN HA 1.0 . 5.21 2060 1853 A 113 ASN HBy A 113 ASN HD2y 1.0 . 3.38 2061 1854 A 114 THR H A 113 ASN HD2y 1.0 . 5.50 2062 1855 A 113 ASN HA A 113 ASN HD2x 1.0 . 5.50 2063 1856 A 113 ASN HBy A 113 ASN HD2x 1.0 . 3.96 2064 1857 A 17 SER H A 89 HIS HD2 1.0 . 5.50 2065 1858 A 16 GLN HA A 17 SER H 1.0 . 2.81 2066 1859 A 90 ILE HA A 17 SER H 1.0 . 4.18 2067 1860 A 17 SER H A 17 SER HBx 1.0 . 3.88 2068 1860 A 17 SER HBy A 17 SER H 1.0 . 3.88 2069 1861 A 89 HIS HBy A 17 SER H 1.0 . 4.30 2070 1862 A 89 HIS HBx A 17 SER H 1.0 . 4.79 2071 1863 A 16 GLN HBy A 17 SER H 1.0 . 3.80 2072 1864 A 16 GLN HBx A 17 SER H 1.0 . 4.05 2073 1865 A 77 SER H A 119 PHE HZ 1.0 . 5.34 2074 1866 A 77 SER H A 27 VAL HA 1.0 . 3.91 2075 1867 A 77 SER H A 27 VAL HG1% 1.0 . 4.41 2076 1867 A 77 SER H A 27 VAL HG2% 1.0 . 4.41 2077 1868 A 120 SER H A 119 PHE H 1.0 . 5.45 2078 1869 A 120 SER H A 119 PHE HA 1.0 . 2.91 2079 1870 A 120 SER H A 120 SER HBx 1.0 . 3.41 2080 1870 A 120 SER H A 120 SER HBy 1.0 . 3.41 2081 1871 A 120 SER H A 119 PHE HBx 1.0 . 3.21 2082 1871 A 119 PHE HBy A 120 SER H 1.0 . 3.21 2083 1872 A 121 VAL HGx% A 120 SER H 1.0 . 4.84 2084 1873 A 98 ASP H A 99 LYS HGy 1.0 . 5.50 2085 1874 A 80 SER H A 116 ILE HA 1.0 . 4.77 2086 1875 A 80 SER H A 115 LEU HA 1.0 . 4.48 2087 1876 A 80 SER H A 79 SER HBy 1.0 . 3.62 2088 1877 A 80 SER H A 80 SER HBx 1.0 . 3.97 2089 1878 A 80 SER H A 115 LEU HBx 1.0 . 3.58 2090 1879 A 80 SER H A 116 ILE HG1x 1.0 . 4.74 2091 1880 A 80 SER H A 115 LEU HDx% 1.0 . 4.46 2092 1881 A 80 SER H A 78 VAL HGy% 1.0 . 5.50 2093 1882 A 7 THR H A 8 GLY H 1.0 . 4.77 2094 1883 A 6 GLN HA A 7 THR H 1.0 . 2.70 2095 1884 A 7 THR H A 7 THR HB 1.0 . 3.79 2096 1885 A 6 GLN HBy A 7 THR H 1.0 . 3.79 2097 1886 A 7 THR H A 6 GLN HGy 1.0 . 4.39 2098 1886 A 7 THR H A 6 GLN HGx 1.0 . 4.39 2099 1887 A 22 SER H A 21 ASP H 1.0 . 3.47 2100 1888 A 22 SER H A 22 SER HBy 1.0 . 3.22 2101 1889 A 20 THR HA A 22 SER H 1.0 . 4.22 2102 1890 A 19 ASP HBx A 22 SER H 1.0 . 5.06 2103 1891 A 48 ILE HD1% A 42 ASN HD2x 1.0 . 5.50 2104 1892 A 27 VAL H A 28 SER H 1.0 . 4.47 2105 1893 A 54 ALA H A 27 VAL H 1.0 . 4.04 2106 1894 A 27 VAL H A 26 SER HA 1.0 . 2.76 2107 1895 A 55 GLN HA A 27 VAL H 1.0 . 3.83 2108 1896 A 27 VAL H A 53 SER HBx 1.0 . 3.74 2109 1896 A 27 VAL H A 53 SER HBy 1.0 . 3.74 2110 1897 A 56 ILE HG1x A 27 VAL H 1.0 . 5.50 2111 1898 A 42 ASN HD2y A 46 GLU HA 1.0 . 5.50 2112 1899 A 42 ASN HD2y A 46 GLU HGx 1.0 . 4.58 2113 1900 A 44 LYS H A 42 ASN HD2y 1.0 . 5.40 2114 1901 A 44 LYS HBx A 42 ASN HD2y 1.0 . 4.85 2115 1902 A 42 ASN HD2x A 42 ASN HA 1.0 . 5.31 2116 1903 A 42 ASN HD2x A 46 GLU HGx 1.0 . 5.08 2117 1904 A 42 ASN HD2x A 46 GLU HBy 1.0 . 4.17 2118 1905 A 42 ASN HD2x A 44 LYS HBx 1.0 . 5.50 2119 1906 A 42 ASN HD2x A 43 ASP H 1.0 . 5.40 2120 1907 A 73 THR HA A 123 THR H 1.0 . 4.26 2121 1908 A 123 THR H A 71 PHE HA 1.0 . 5.18 2122 1909 A 122 SER HBx A 123 THR H 1.0 . 3.76 2123 1910 A 72 MET H A 123 THR H 1.0 . 3.86 2124 1911 A 71 PHE HBx A 123 THR H 1.0 . 4.77 2125 1912 A 123 THR H A 72 MET HBx 1.0 . 5.46 2126 1912 A 72 MET HBy A 123 THR H 1.0 . 5.46 2127 1913 A 12 ILE HD1% A 123 THR H 1.0 . 4.88 2128 1914 A 65 THR HB A 66 ASN HD2x 1.0 . 5.50 2129 1915 A 66 ASN H A 66 ASN HD2y 1.0 . 5.50 2130 1916 A 39 LYS HGx A 66 ASN HD2y 1.0 . 5.21 2131 1917 A 66 ASN HBy A 66 ASN HD2y 1.0 . 3.99 2132 1918 A 66 ASN HBx A 66 ASN HD2y 1.0 . 3.80 2133 1919 A 39 LYS HBy A 66 ASN HD2y 1.0 . 5.50 2134 1920 A 6 GLN HE2y A 6 GLN HGy 1.0 . 3.96 2135 1920 A 6 GLN HGx A 6 GLN HE2y 1.0 . 3.96 2136 1921 A 6 GLN HA A 6 GLN HE2y 1.0 . 5.50 2137 1922 A 66 ASN H A 66 ASN HD2x 1.0 . 5.50 2138 1923 A 41 TYR HE% A 66 ASN HD2x 1.0 . 5.50 2139 1924 A 39 LYS HBy A 66 ASN HD2x 1.0 . 5.50 2140 1925 A 39 LYS HGx A 66 ASN HD2x 1.0 . 5.39 2141 1926 A 38 ALA HB% A 66 ASN HD2x 1.0 . 5.40 2142 1927 A 51 SER H A 50 ASP H 1.0 . 2.96 2143 1928 A 51 SER H A 52 TYR HA 1.0 . 5.36 2144 1929 A 51 SER H A 51 SER HBx 1.0 . 4.04 2145 1930 A 51 SER H A 49 GLY HAx 1.0 . 4.24 2146 1931 A 51 SER H A 50 ASP HBx 1.0 . 4.08 2147 1931 A 51 SER H A 50 ASP HBy 1.0 . 4.08 2148 1932 A 51 SER H A 40 LEU HG 1.0 . 5.50 2149 1933 A 51 SER H A 40 LEU HDy% 1.0 . 4.17 2150 1933 A 51 SER H A 40 LEU HDx% 1.0 . 4.17 2151 1934 A 51 SER H A 49 GLY H 1.0 . 5.50 2152 1935 A 30 GLY H A 40 LEU HDy% 1.0 . 5.09 2153 1935 A 30 GLY H A 40 LEU HDx% 1.0 . 5.09 2154 1936 A 94 GLY H A 93 ILE H 1.0 . 5.05 2155 1937 A 94 GLY H A 95 TYR HE% 1.0 . 5.50 2156 1937 A 95 TYR HD% A 94 GLY H 1.0 . 5.50 2157 1938 A 93 ILE HA A 94 GLY H 1.0 . 2.93 2158 1939 A 102 ASN HBx A 94 GLY H 1.0 . 5.28 2159 1940 A 94 GLY H A 100 GLU HGy 1.0 . 5.50 2160 1941 A 121 VAL HGy% A 94 GLY H 1.0 . 4.69 2161 1942 A 20 THR H A 19 ASP H 1.0 . 4.46 2162 1943 A 20 THR H A 21 ASP H 1.0 . 3.47 2163 1944 A 20 THR H A 19 ASP HA 1.0 . 2.88 2164 1945 A 25 VAL H A 55 GLN HE2y 1.0 . 4.43 2165 1946 A 55 GLN HE2y A 24 GLU HA 1.0 . 4.03 2166 1947 A 55 GLN HE2y A 55 GLN HGx 1.0 . 3.51 2167 1948 A 55 GLN HE2y A 55 GLN HBy 1.0 . 4.31 2168 1949 A 56 ILE H A 55 GLN HE2y 1.0 . 5.50 2169 1950 A 55 GLN HE2y A 57 ARG HDx 1.0 . 5.50 2170 1950 A 57 ARG HDy A 55 GLN HE2y 1.0 . 5.50 2171 1951 A 55 GLN HE2y A 55 GLN HBx 1.0 . 4.53 2172 1952 A 55 GLN HE2x A 25 VAL H 1.0 . 5.37 2173 1953 A 55 GLN HE2x A 24 GLU HA 1.0 . 4.75 2174 1954 A 55 GLN HE2x A 55 GLN HBy 1.0 . 5.35 2175 1955 A 117 GLU H A 118 THR H 1.0 . 4.90 2176 1956 A 108 TYR HE% A 118 THR H 1.0 . 5.50 2177 1957 A 118 THR H A 117 GLU HBy 1.0 . 3.48 2178 1958 A 111 ASP H A 112 GLY H 1.0 . 3.19 2179 1959 A 110 THR HB A 112 GLY H 1.0 . 3.77 2180 1960 A 112 GLY H A 83 GLU HA 1.0 . 5.50 2181 1961 A 111 ASP HBx A 112 GLY H 1.0 . 5.50 2182 1962 A 33 ASP H A 36 GLY H 1.0 . 3.58 2183 1963 A 35 GLY H A 36 GLY H 1.0 . 3.01 2184 1964 A 34 LYS H A 36 GLY H 1.0 . 5.03 2185 1965 A 32 ALA HA A 36 GLY H 1.0 . 5.40 2186 1966 A 36 GLY H A 34 LYS HGx 1.0 . 5.50 2187 1966 A 34 LYS HGy A 36 GLY H 1.0 . 5.50 2188 1967 A 32 ALA HB% A 36 GLY H 1.0 . 5.06 2189 1968 A 77 SER H A 76 GLY H 1.0 . 4.93 2190 1969 A 120 SER HA A 76 GLY H 1.0 . 3.95 2191 1970 A 76 GLY H A 120 SER HBx 1.0 . 4.52 2192 1970 A 76 GLY H A 120 SER HBy 1.0 . 4.52 2193 1971 A 76 GLY H A 27 VAL HG1% 1.0 . 5.50 2194 1971 A 27 VAL HG2% A 76 GLY H 1.0 . 5.50 2195 1972 A 102 ASN HD2y A 103 ARG H 1.0 . 5.50 2196 1973 A 102 ASN HD2y A 121 VAL HA 1.0 . 5.05 2197 1974 A 102 ASN HD2y A 123 THR HA 1.0 . 4.87 2198 1975 A 121 VAL HGx% A 102 ASN HD2x 1.0 . 5.50 2199 1976 A 70 PHE H A 71 PHE H 1.0 . 3.14 2200 1977 A 72 MET H A 71 PHE H 1.0 . 5.19 2201 1978 A 71 PHE H A 32 ALA H 1.0 . 4.45 2202 1979 A 71 PHE H A 33 ASP HA 1.0 . 5.50 2203 1980 A 58 THR H A 16 GLN HE2x 1.0 . 4.62 2204 1981 A 57 ARG H A 58 THR H 1.0 . 2.99 2205 1982 A 58 THR H A 56 ILE HA 1.0 . 3.85 2206 1983 A 58 THR H A 57 ARG HBy 1.0 . 4.47 2207 1984 A 58 THR H A 59 ALA H 1.0 . 4.84 2208 1985 A 32 ALA HB% A 71 PHE H 1.0 . 5.35 2209 1986 A 66 ASN H A 65 THR H 1.0 . 4.72 2210 1987 A 11 LYS HA A 65 THR H 1.0 . 4.22 2211 1988 A 65 THR H A 72 MET HE% 1.0 . 4.71 2212 1989 A 15 GLN HA A 15 GLN HE2y 1.0 . 5.50 2213 1990 A 91 THR HB A 15 GLN HE2y 1.0 . 5.50 2214 1991 A 15 GLN HGy A 15 GLN HE2y 1.0 . 3.95 2215 1992 A 60 THR HG2% A 15 GLN HE2y 1.0 . 5.02 2216 1993 A 60 THR HB A 15 GLN HE2y 1.0 . 5.50 2217 1994 A 20 THR H A 18 GLY H 1.0 . 5.37 2218 1995 A 18 GLY H A 17 SER HBx 1.0 . 3.08 2219 1995 A 17 SER HBy A 18 GLY H 1.0 . 3.08 2220 1996 A 20 THR HG2% A 18 GLY H 1.0 . 4.26 2221 1997 A 88 LEU HDx% A 18 GLY H 1.0 . 5.50 2222 1998 A 30 GLY H A 31 GLY H 1.0 . 4.67 2223 1999 A 31 GLY H A 32 ALA H 1.0 . 4.83 2224 2000 A 31 GLY H A 30 GLY HAy 1.0 . 3.02 2225 2001 A 30 GLY HAx A 31 GLY H 1.0 . 3.28 2226 2002 A 31 GLY H A 40 LEU HG 1.0 . 5.50 2227 2003 A 31 GLY H A 40 LEU HDy% 1.0 . 4.22 2228 2003 A 31 GLY H A 40 LEU HDx% 1.0 . 4.22 2229 2004 A 43 ASP H A 45 GLY H 1.0 . 5.50 2230 2005 A 111 ASP H A 85 GLY H 1.0 . 5.50 2231 2006 A 84 ALA H A 85 GLY H 1.0 . 5.21 2232 2007 A 41 TYR HBx A 45 GLY H 1.0 . 5.50 2233 2008 A 44 LYS HBy A 45 GLY H 1.0 . 5.05 2234 2009 A 45 GLY H A 41 TYR HD% 1.0 . 5.50 2235 2010 A 52 TYR HEy A 49 GLY H 1.0 . 5.14 2236 2011 A 33 ASP H A 35 GLY H 1.0 . 5.28 2237 2012 A 34 LYS H A 35 GLY H 1.0 . 3.70 2238 2013 A 33 ASP HBy A 35 GLY H 1.0 . 4.82 2239 2014 A 35 GLY H A 34 LYS HGx 1.0 . 4.23 2240 2014 A 34 LYS HGy A 35 GLY H 1.0 . 4.23 2241 2015 A 32 ALA HB% A 35 GLY H 1.0 . 5.50 2242 2016 A 33 ASP HBx A 35 GLY H 1.0 . 5.50 2243 2017 A 60 THR H A 59 ALA H 1.0 . 3.20 2244 2018 A 60 THR H A 58 THR HB 1.0 . 3.33 2245 2019 A 16 GLN HE2y A 57 ARG HA 1.0 . 5.33 2246 2020 A 16 GLN HE2y A 20 THR HB 1.0 . 4.84 2247 2021 A 16 GLN HE2y A 16 GLN H 1.0 . 5.29 2248 2022 A 58 THR H A 16 GLN HE2y 1.0 . 5.00 2249 2023 A 16 GLN HE2y A 16 GLN HBx 1.0 . 5.50 2250 2024 A 67 GLY H A 66 ASN HD2x 1.0 . 5.50 2251 2025 A 66 ASN H A 67 GLY H 1.0 . 4.84 2252 2026 A 66 ASN HBy A 67 GLY H 1.0 . 3.36 2253 2027 A 66 ASN HBx A 67 GLY H 1.0 . 3.68 2254 2028 A 9 ILE HG1y A 67 GLY H 1.0 . 5.21 2255 2029 A 66 ASN HD2y A 67 GLY H 1.0 . 5.14 2256 2030 A 71 PHE HA A 10 HIS HE1 1.0 . 3.37 2257 2031 A 71 PHE HBx A 10 HIS HE1 1.0 . 4.65 2258 2032 A 96 ILE HD1% A 10 HIS HE1 1.0 . 3.09 2259 2033 A 96 ILE HG2% A 10 HIS HE1 1.0 . 4.42 2260 2034 A 96 ILE HG1x A 10 HIS HE1 1.0 . 3.94 2261 2035 A 65 THR HG2% A 41 TYR HD% 1.0 . 4.79 2262 2036 A 66 ASN H A 41 TYR HD% 1.0 . 3.77 2263 2037 A 41 TYR HD% A 41 TYR HA 1.0 . 3.32 2264 2038 A 41 TYR HD% A 40 LEU HA 1.0 . 3.40 2265 2039 A 41 TYR H A 41 TYR HD% 1.0 . 2.96 2266 2040 A 41 TYR HD% A 65 THR HA 1.0 . 3.30 2267 2041 A 47 TYR H A 41 TYR HD% 1.0 . 3.78 2268 2042 A 42 ASN H A 41 TYR HD% 1.0 . 3.99 2269 2043 A 41 TYR HD% A 46 GLU HA 1.0 . 3.63 2270 2044 A 45 GLY HAx A 41 TYR HD% 1.0 . 4.07 2271 2045 A 48 ILE H A 47 TYR HD% 1.0 . 3.14 2272 2046 A 49 GLY H A 47 TYR HD% 1.0 . 3.19 2273 2047 A 39 LYS HBy A 47 TYR HD% 1.0 . 4.22 2274 2048 A 39 LYS HDx A 47 TYR HD% 1.0 . 4.72 2275 2049 A 88 LEU HBx A 108 TYR HD% 1.0 . 3.87 2276 2050 A 13 VAL H A 95 TYR HE% 1.0 . 3.81 2277 2050 A 95 TYR HD% A 13 VAL H 1.0 . 3.81 2278 2051 A 99 LYS HA A 95 TYR HE% 1.0 . 3.81 2279 2051 A 95 TYR HD% A 99 LYS HA 1.0 . 3.81 2280 2052 A 13 VAL HGy% A 95 TYR HE% 1.0 . 3.08 2281 2052 A 95 TYR HD% A 13 VAL HGy% 1.0 . 3.08 2282 2053 A 99 LYS H A 95 TYR HE% 1.0 . 3.85 2283 2053 A 95 TYR HD% A 99 LYS H 1.0 . 3.85 2284 2054 A 108 TYR H A 108 TYR HD% 1.0 . 3.15 2285 2055 A 115 LEU HDy% A 108 TYR HD% 1.0 . 3.54 2286 2056 A 88 LEU HDy% A 108 TYR HD% 1.0 . 3.12 2287 2057 A 100 GLU H A 95 TYR HE% 1.0 . 3.70 2288 2057 A 95 TYR HD% A 100 GLU H 1.0 . 3.70 2289 2058 A 96 ILE H A 95 TYR HE% 1.0 . 3.77 2290 2058 A 95 TYR HD% A 96 ILE H 1.0 . 3.77 2291 2059 A 95 TYR HA A 95 TYR HE% 1.0 . 3.37 2292 2059 A 95 TYR HD% A 95 TYR HA 1.0 . 3.37 2293 2060 A 100 GLU HA A 95 TYR HE% 1.0 . 3.38 2294 2060 A 95 TYR HD% A 100 GLU HA 1.0 . 3.38 2295 2061 A 93 ILE HD1% A 95 TYR HE% 1.0 . 4.43 2296 2061 A 95 TYR HD% A 93 ILE HD1% 1.0 . 4.43 2297 2062 A 93 ILE HG2% A 95 TYR HE% 1.0 . 3.60 2298 2062 A 95 TYR HD% A 93 ILE HG2% 1.0 . 3.60 2299 2063 A 52 TYR HD% A 53 SER HA 1.0 . 3.72 2300 2064 A 119 PHE HD% A 118 THR HA 1.0 . 4.34 2301 2065 A 108 TYR HA A 108 TYR HD% 1.0 . 2.93 2302 2066 A 88 LEU HBy A 108 TYR HD% 1.0 . 2.73 2303 2067 A 29 ILE H A 52 TYR HD% 1.0 . 3.88 2304 2068 A 52 TYR H A 52 TYR HD% 1.0 . 4.00 2305 2069 A 53 SER H A 52 TYR HD% 1.0 . 3.46 2306 2070 A 29 ILE HB A 52 TYR HD% 1.0 . 3.07 2307 2071 A 52 TYR HD% A 54 ALA HB% 1.0 . 3.39 2308 2072 A 52 TYR HD% A 40 LEU HDy% 1.0 . 3.62 2309 2072 A 52 TYR HD% A 40 LEU HDx% 1.0 . 3.62 2310 2073 A 119 PHE HD% A 120 SER H 1.0 . 3.99 2311 2074 A 119 PHE HD% A 76 GLY H 1.0 . 4.12 2312 2075 A 119 PHE HD% A 119 PHE H 1.0 . 3.63 2313 2076 A 120 SER HA A 119 PHE HD% 1.0 . 3.64 2314 2077 A 70 PHE HBy A 71 PHE HD% 1.0 . 3.81 2315 2078 A 71 PHE HD% A 71 PHE HA 1.0 . 4.02 2316 2079 A 73 THR H A 71 PHE HD% 1.0 . 4.35 2317 2080 A 72 MET H A 71 PHE HD% 1.0 . 4.19 2318 2081 A 31 GLY HAy A 71 PHE HD% 1.0 . 4.23 2319 2082 A 32 ALA HB% A 71 PHE HD% 1.0 . 3.54 2320 2083 A 72 MET HA A 71 PHE HE% 1.0 . 4.66 2321 2084 A 71 PHE HE% A 73 THR HG2% 1.0 . 3.66 2322 2085 A 32 ALA HB% A 71 PHE HE% 1.0 . 3.41 2323 2086 A 5 PHE HA A 5 PHE HD% 1.0 . 3.46 2324 2087 A 5 PHE H A 5 PHE HD% 1.0 . 4.06 2325 2088 A 6 GLN H A 5 PHE HD% 1.0 . 4.58 2326 2089 A 70 PHE HE% A 33 ASP HA 1.0 . 4.10 2327 2090 A 70 PHE HE% A 34 LYS H 1.0 . 3.86 2328 2091 A 70 PHE HE% A 34 LYS HA 1.0 . 3.03 2329 2092 A 70 PHE HE% A 34 LYS HGx 1.0 . 4.02 2330 2092 A 34 LYS HGy A 70 PHE HE% 1.0 . 4.02 2331 2093 A 70 PHE HE% A 7 THR HG2% 1.0 . 3.47 2332 2094 A 34 LYS H A 70 PHE HD% 1.0 . 4.62 2333 2095 A 70 PHE HD% A 69 ALA HA 1.0 . 4.11 2334 2096 A 70 PHE HD% A 70 PHE HA 1.0 . 2.76 2335 2097 A 70 PHE HD% A 33 ASP HA 1.0 . 3.53 2336 2098 A 70 PHE HD% A 7 THR HG2% 1.0 . 3.23 2337 2099 A 70 PHE H A 70 PHE HD% 1.0 . 3.60 2338 2100 A 119 PHE H A 119 PHE HE% 1.0 . 4.59 2339 2101 A 78 VAL H A 119 PHE HE% 1.0 . 4.46 2340 2102 A 119 PHE HE% A 119 PHE HZ 1.0 . 2.43 2341 2103 A 77 SER HA A 119 PHE HE% 1.0 . 3.99 2342 2104 A 119 PHE HE% A 76 GLY HAx 1.0 . 3.71 2343 2104 A 76 GLY HAy A 119 PHE HE% 1.0 . 3.71 2344 2105 A 25 VAL HGy% A 119 PHE HE% 1.0 . 2.96 2345 2106 A 92 VAL HGy% A 119 PHE HE% 1.0 . 3.08 2346 2107 A 77 SER H A 119 PHE HE% 1.0 . 4.33 2347 2108 A 76 GLY H A 119 PHE HE% 1.0 . 4.26 2348 2109 A 119 PHE HZ A 76 GLY HAx 1.0 . 3.74 2349 2109 A 76 GLY HAy A 119 PHE HZ 1.0 . 3.74 2350 2110 A 119 PHE HZ A 27 VAL HG1% 1.0 . 2.95 2351 2110 A 27 VAL HG2% A 119 PHE HZ 1.0 . 2.95 2352 2111 A 106 LYS H A 89 HIS HD2 1.0 . 4.31 2353 2112 A 89 HIS HA A 89 HIS HD2 1.0 . 3.95 2354 2113 A 90 ILE HA A 89 HIS HD2 1.0 . 4.33 2355 2114 A 91 THR HB A 89 HIS HD2 1.0 . 4.44 2356 2115 A 89 HIS HBy A 89 HIS HD2 1.0 . 3.52 2357 2116 A 89 HIS H A 89 HIS HD2 1.0 . 4.80 2358 2117 A 91 THR HG2% A 89 HIS HD2 1.0 . 4.59 2359 2118 A 48 ILE HB A 52 TYR HEx 1.0 . 3.95 2360 2118 A 52 TYR HEy A 48 ILE HB 1.0 . 3.95 2361 2119 A 54 ALA HB% A 52 TYR HEx 1.0 . 2.88 2362 2119 A 52 TYR HEy A 54 ALA HB% 1.0 . 2.88 2363 2120 A 29 ILE HG2% A 52 TYR HEx 1.0 . 2.90 2364 2120 A 52 TYR HEy A 29 ILE HG2% 1.0 . 2.90 2365 2121 A 52 TYR HEx A 40 LEU HDx% 1.0 . 4.85 2366 2121 A 52 TYR HEy A 40 LEU HDx% 1.0 . 4.85 2367 2121 A 52 TYR HEx A 40 LEU HDy% 1.0 . 4.85 2368 2121 A 52 TYR HEy A 40 LEU HDy% 1.0 . 4.85 2369 2122 A 48 ILE HD1% A 52 TYR HEx 1.0 . 3.60 2370 2122 A 48 ILE HD1% A 52 TYR HEy 1.0 . 3.60 2371 2123 A 108 TYR HE% A 90 ILE HG1x 1.0 . 3.41 2372 2124 A 108 TYR HE% A 78 VAL HGx% 1.0 . 3.11 2373 2125 A 108 TYR HE% A 106 LYS HBy 1.0 . 3.47 2374 2126 A 108 TYR HE% A 78 VAL HGy% 1.0 . 3.55 2375 2127 A 41 TYR HE% A 47 TYR H 1.0 . 3.99 2376 2128 A 41 TYR HE% A 40 LEU H 1.0 . 5.45 2377 2129 A 41 TYR HE% A 66 ASN HD2y 1.0 . 3.96 2378 2130 A 47 TYR HA A 41 TYR HE% 1.0 . 4.21 2379 2131 A 108 TYR HE% A 108 TYR H 1.0 . 4.89 2380 2132 A 108 TYR HE% A 117 GLU HA 1.0 . 4.55 2381 2133 A 10 HIS H A 10 HIS HD2 1.0 . 3.25 2382 2134 A 10 HIS HD2 A 10 HIS HA 1.0 . 4.16 2383 2135 A 10 HIS HD2 A 71 PHE HA 1.0 . 4.94 2384 2136 A 9 ILE HA A 10 HIS HD2 1.0 . 3.69 2385 2137 A 10 HIS HBy A 10 HIS HD2 1.0 . 3.65 2386 2138 A 69 ALA HB% A 10 HIS HD2 1.0 . 3.05 2387 2139 A 10 HIS HD2 A 9 ILE HG2% 1.0 . 5.40 2388 2140 A 41 TYR HE% A 40 LEU HA 1.0 . 4.25 2389 2141 A 66 ASN HBx A 41 TYR HE% 1.0 . 3.12 2390 2142 A 41 TYR HE% A 39 LYS HBy 1.0 . 3.34 2391 2143 A 66 ASN H A 41 TYR HE% 1.0 . 3.64 2392 2144 A 41 TYR HE% A 65 THR HA 1.0 . 3.86 2393 2145 A 41 TYR HE% A 41 TYR HA 1.0 . 4.73 2394 2146 A 48 ILE H A 47 TYR HE% 1.0 . 5.10 2395 2147 A 8 GLY H A 10 HIS HD2 1.0 . 4.41 stop_ save_