data_nef_c16686_2kt7 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 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code TargetDB LmR64A PDB 2kt7 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 34 MET start . . 2 A 35 ASP middle . . 3 A 36 THR middle . . 4 A 37 ASN middle . . 5 A 38 ASN middle . . 6 A 39 PHE middle . . 7 A 40 THR middle . . 8 A 41 VAL middle . . 9 A 42 LYS middle . . 10 A 43 VAL middle . . 11 A 44 GLU middle . . 12 A 45 TYR middle . . 13 A 46 VAL middle . . 14 A 47 ASP middle . . 15 A 48 ALA middle . . 16 A 49 ASP middle . . 17 A 50 GLY middle . false 18 A 51 ALA middle . . 19 A 52 GLU middle . . 20 A 53 ILE middle . . 21 A 54 ALA middle . . 22 A 55 PRO middle . false 23 A 56 SER middle . . 24 A 57 ASP middle . . 25 A 58 THR middle . . 26 A 59 LEU middle . . 27 A 60 THR middle . . 28 A 61 ASP middle . . 29 A 62 TYR middle . . 30 A 63 HIS middle . . 31 A 64 TYR middle . . 32 A 65 VAL middle . . 33 A 66 SER middle . . 34 A 67 THR middle . . 35 A 68 PRO middle . false 36 A 69 LYS middle . . 37 A 70 ASP middle . . 38 A 71 ILE middle . . 39 A 72 PRO middle . false 40 A 73 GLY middle . false 41 A 74 TYR middle . . 42 A 75 LYS middle . . 43 A 76 LEU middle . . 44 A 77 ARG middle . . 45 A 78 GLU middle . . 46 A 79 ILE middle . . 47 A 80 PRO middle . false 48 A 81 HIS middle . . 49 A 82 ASN middle . . 50 A 83 ALA middle . . 51 A 84 THR middle . . 52 A 85 GLY middle . false 53 A 86 ASN middle . . 54 A 87 ILE middle . . 55 A 88 THR middle . . 56 A 89 ASP middle . . 57 A 90 THR middle . . 58 A 91 GLY middle . false 59 A 92 ILE middle . . 60 A 93 ILE middle . . 61 A 94 VAL middle . . 62 A 95 ARG middle . . 63 A 96 TYR middle . . 64 A 97 ILE middle . . 65 A 98 TYR middle . . 66 A 99 ASP middle . . 67 A 100 LYS middle . . 68 A 101 ILE middle . . 69 A 102 ILE middle . . 70 A 103 ASP middle . . 71 A 104 VAL middle . . 72 A 105 SER middle . . 73 A 106 TYR middle . . 74 A 107 VAL middle . . 75 A 108 ASP middle . . 76 A 109 GLU middle . . 77 A 110 THR middle . . 78 A 111 GLY middle . false 79 A 112 LYS middle . . 80 A 113 ASP middle . . 81 A 114 LEU middle . . 82 A 115 LEU middle . . 83 A 116 PRO middle . false 84 A 117 VAL middle . . 85 A 118 VAL middle . . 86 A 119 GLU middle . . 87 A 120 ILE middle . . 88 A 121 ILE middle . . 89 A 122 ASN middle . . 90 A 123 SER middle . . 91 A 124 GLU middle . . 92 A 125 ALA middle . . 93 A 126 ALA middle . . 94 A 127 VAL middle . . 95 A 128 LEU middle . . 96 A 129 GLU middle . . 97 A 130 HIS middle . . 98 A 131 HIS middle . . 99 A 132 HIS middle . . 100 A 133 HIS middle . . 101 A 134 HIS middle . . 102 A 135 HIS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 34 MET HE% H 1 2.084 0.02 A 34 MET CE C 13 16.627 0.2 A 35 ASP HA H 1 4.701 0.02 A 35 ASP HBy H 1 2.731 0.02 A 35 ASP HBx H 1 2.584 0.02 A 35 ASP C C 13 175.979 0.2 A 35 ASP CA C 13 54.400 0.2 A 35 ASP CB C 13 41.200 0.2 A 36 THR H H 1 8.205 0.02 A 36 THR HA H 1 4.225 0.02 A 36 THR HB H 1 4.219 0.02 A 36 THR HG2% H 1 1.148 0.02 A 36 THR C C 13 174.246 0.2 A 36 THR CA C 13 61.600 0.2 A 36 THR CB C 13 69.525 0.2 A 36 THR CG2 C 13 21.421 0.2 A 36 THR N N 15 114.149 0.2 A 37 ASN H H 1 8.401 0.02 A 37 ASN HA H 1 4.550 0.02 A 37 ASN HBy H 1 2.534 0.02 A 37 ASN HBx H 1 2.503 0.02 A 37 ASN HD2y H 1 7.580 0.02 A 37 ASN HD2x H 1 6.948 0.02 A 37 ASN C C 13 174.318 0.2 A 37 ASN CA C 13 53.078 0.2 A 37 ASN CB C 13 38.666 0.2 A 37 ASN N N 15 120.305 0.2 A 37 ASN ND2 N 15 113.485 0.2 A 38 ASN H H 1 8.201 0.02 A 38 ASN HA H 1 4.669 0.02 A 38 ASN HBx H 1 2.632 0.02 A 38 ASN HBy H 1 2.762 0.02 A 38 ASN HD2y H 1 7.509 0.02 A 38 ASN HD2x H 1 6.808 0.02 A 38 ASN C C 13 174.963 0.2 A 38 ASN CA C 13 52.800 0.2 A 38 ASN CB C 13 38.605 0.2 A 38 ASN N N 15 117.954 0.2 A 38 ASN ND2 N 15 112.386 0.2 A 39 PHE H H 1 8.209 0.02 A 39 PHE HA H 1 4.803 0.02 A 39 PHE HB2 H 1 2.947 0.02 A 39 PHE HB3 H 1 3.087 0.02 A 39 PHE HD1 H 1 7.067 0.02 A 39 PHE HD2 H 1 7.067 0.02 A 39 PHE HE1 H 1 7.305 0.02 A 39 PHE HE2 H 1 7.305 0.02 A 39 PHE HZ H 1 7.303 0.02 A 39 PHE C C 13 174.910 0.2 A 39 PHE CA C 13 55.960 0.2 A 39 PHE CB C 13 38.287 0.2 A 39 PHE CD1 C 13 131.048 0.2 A 39 PHE CD2 C 13 131.048 0.2 A 39 PHE CE1 C 13 131.097 0.2 A 39 PHE CE2 C 13 131.097 0.2 A 39 PHE CZ C 13 129.696 0.2 A 39 PHE N N 15 121.640 0.2 A 40 THR H H 1 8.019 0.02 A 40 THR HA H 1 4.859 0.02 A 40 THR HB H 1 4.059 0.02 A 40 THR HG2% H 1 1.057 0.02 A 40 THR C C 13 173.478 0.2 A 40 THR CA C 13 59.700 0.2 A 40 THR CB C 13 72.133 0.2 A 40 THR CG2 C 13 21.921 0.2 A 40 THR N N 15 109.857 0.2 A 41 VAL H H 1 8.511 0.02 A 41 VAL HA H 1 4.173 0.02 A 41 VAL HB H 1 1.285 0.02 A 41 VAL HG1% H 1 0.153 0.02 A 41 VAL HG2% H 1 0.170 0.02 A 41 VAL C C 13 173.947 0.2 A 41 VAL CA C 13 60.956 0.2 A 41 VAL CB C 13 34.835 0.2 A 41 VAL CG1 C 13 20.880 0.2 A 41 VAL CG2 C 13 21.762 0.2 A 41 VAL N N 15 121.903 0.2 A 42 LYS H H 1 7.581 0.02 A 42 LYS HA H 1 4.935 0.02 A 42 LYS HBx H 1 1.709 0.02 A 42 LYS HBy H 1 1.709 0.02 A 42 LYS HDy H 1 1.630 0.02 A 42 LYS HDx H 1 1.586 0.02 A 42 LYS HE2 H 1 2.873 0.02 A 42 LYS HE3 H 1 2.955 0.02 A 42 LYS HG2 H 1 1.176 0.02 A 42 LYS HG3 H 1 1.408 0.02 A 42 LYS C C 13 173.791 0.2 A 42 LYS CA C 13 54.433 0.2 A 42 LYS CB C 13 34.651 0.2 A 42 LYS CD C 13 29.132 0.2 A 42 LYS CE C 13 42.058 0.2 A 42 LYS CG C 13 25.210 0.2 A 42 LYS N N 15 127.930 0.2 A 43 VAL H H 1 9.095 0.02 A 43 VAL HA H 1 4.936 0.02 A 43 VAL HB H 1 1.953 0.02 A 43 VAL HG1% H 1 0.929 0.02 A 43 VAL HG2% H 1 0.852 0.02 A 43 VAL C C 13 174.963 0.2 A 43 VAL CA C 13 60.229 0.2 A 43 VAL CB C 13 33.129 0.2 A 43 VAL CG1 C 13 22.105 0.2 A 43 VAL CG2 C 13 20.397 0.2 A 43 VAL N N 15 127.369 0.2 A 44 GLU H H 1 9.085 0.02 A 44 GLU HA H 1 4.850 0.02 A 44 GLU HB2 H 1 1.704 0.02 A 44 GLU HB3 H 1 1.800 0.02 A 44 GLU HG2 H 1 2.094 0.02 A 44 GLU HG3 H 1 1.996 0.02 A 44 GLU C C 13 174.103 0.2 A 44 GLU CA C 13 53.067 0.2 A 44 GLU CB C 13 33.857 0.2 A 44 GLU CG C 13 35.885 0.2 A 44 GLU N N 15 124.258 0.2 A 45 TYR H H 1 9.238 0.02 A 45 TYR HA H 1 5.376 0.02 A 45 TYR HB2 H 1 2.802 0.02 A 45 TYR HB3 H 1 2.630 0.02 A 45 TYR HD1 H 1 7.146 0.02 A 45 TYR HD2 H 1 7.146 0.02 A 45 TYR HE1 H 1 6.686 0.02 A 45 TYR HE2 H 1 6.686 0.02 A 45 TYR C C 13 175.353 0.2 A 45 TYR CA C 13 56.168 0.2 A 45 TYR CB C 13 38.693 0.2 A 45 TYR CE1 C 13 118.373 0.2 A 45 TYR CE2 C 13 118.373 0.2 A 45 TYR N N 15 122.479 0.2 A 46 VAL H H 1 9.256 0.02 A 46 VAL HA H 1 5.574 0.02 A 46 VAL HB H 1 1.881 0.02 A 46 VAL HG1% H 1 0.686 0.02 A 46 VAL HG2% H 1 0.893 0.02 A 46 VAL C C 13 174.728 0.2 A 46 VAL CA C 13 57.880 0.2 A 46 VAL CB C 13 36.578 0.2 A 46 VAL CG1 C 13 20.847 0.2 A 46 VAL CG2 C 13 19.212 0.2 A 46 VAL N N 15 115.523 0.2 A 47 ASP H H 1 8.509 0.02 A 47 ASP HA H 1 5.563 0.02 A 47 ASP HBy H 1 3.585 0.02 A 47 ASP HBx H 1 2.672 0.02 A 47 ASP C C 13 179.104 0.2 A 47 ASP CA C 13 51.665 0.2 A 47 ASP CB C 13 41.659 0.2 A 47 ASP N N 15 118.600 0.2 A 48 ALA H H 1 7.902 0.02 A 48 ALA HA H 1 3.920 0.02 A 48 ALA HB% H 1 1.561 0.02 A 48 ALA C C 13 178.479 0.2 A 48 ALA CA C 13 54.456 0.2 A 48 ALA CB C 13 19.378 0.2 A 48 ALA N N 15 119.314 0.2 A 49 ASP H H 1 8.041 0.02 A 49 ASP HA H 1 4.842 0.02 A 49 ASP HB2 H 1 2.732 0.02 A 49 ASP HB3 H 1 2.907 0.02 A 49 ASP C C 13 176.682 0.2 A 49 ASP CA C 13 54.000 0.2 A 49 ASP CB C 13 41.715 0.2 A 49 ASP N N 15 115.346 0.2 A 50 GLY H H 1 8.297 0.02 A 50 GLY HA2 H 1 3.416 0.02 A 50 GLY HA3 H 1 4.250 0.02 A 50 GLY C C 13 173.400 0.2 A 50 GLY CA C 13 45.127 0.2 A 50 GLY N N 15 109.577 0.2 A 51 ALA H H 1 8.500 0.02 A 51 ALA HA H 1 4.358 0.02 A 51 ALA HB% H 1 1.365 0.02 A 51 ALA C C 13 177.307 0.2 A 51 ALA CA C 13 51.322 0.2 A 51 ALA CB C 13 19.024 0.2 A 51 ALA N N 15 126.114 0.2 A 52 GLU H H 1 8.523 0.02 A 52 GLU HA H 1 4.494 0.02 A 52 GLU HBx H 1 2.018 0.02 A 52 GLU HBy H 1 2.018 0.02 A 52 GLU HG2 H 1 2.466 0.02 A 52 GLU HG3 H 1 2.114 0.02 A 52 GLU C C 13 178.479 0.2 A 52 GLU CA C 13 57.662 0.2 A 52 GLU CB C 13 30.693 0.2 A 52 GLU CG C 13 37.602 0.2 A 52 GLU N N 15 120.446 0.2 A 53 ILE H H 1 8.833 0.02 A 53 ILE HA H 1 4.377 0.02 A 53 ILE HB H 1 1.429 0.02 A 53 ILE HD1% H 1 -0.578 0.02 A 53 ILE HG1x H 1 0.386 0.02 A 53 ILE HG1y H 1 0.386 0.02 A 53 ILE HG2% H 1 0.565 0.02 A 53 ILE C C 13 174.572 0.2 A 53 ILE CA C 13 60.900 0.2 A 53 ILE CB C 13 39.300 0.2 A 53 ILE CD1 C 13 13.294 0.2 A 53 ILE CG1 C 13 24.697 0.2 A 53 ILE CG2 C 13 17.981 0.2 A 53 ILE N N 15 117.988 0.2 A 54 ALA H H 1 7.809 0.02 A 54 ALA HA H 1 4.492 0.02 A 54 ALA HB% H 1 0.969 0.02 A 54 ALA C C 13 172.830 0.2 A 54 ALA CA C 13 50.508 0.2 A 54 ALA CB C 13 19.707 0.2 A 54 ALA N N 15 122.685 0.2 A 55 PRO HA H 1 4.459 0.02 A 55 PRO HB2 H 1 2.398 0.02 A 55 PRO HB3 H 1 1.842 0.02 A 55 PRO HDy H 1 3.703 0.02 A 55 PRO HDx H 1 3.400 0.02 A 55 PRO HGy H 1 2.022 0.02 A 55 PRO HGx H 1 1.929 0.02 A 55 PRO C C 13 176.178 0.2 A 55 PRO CA C 13 62.696 0.2 A 55 PRO CB C 13 32.050 0.2 A 55 PRO CD C 13 50.298 0.2 A 55 PRO CG C 13 27.614 0.2 A 56 SER H H 1 8.444 0.02 A 56 SER HA H 1 5.021 0.02 A 56 SER HBx H 1 4.035 0.02 A 56 SER HBy H 1 4.035 0.02 A 56 SER C C 13 174.963 0.2 A 56 SER CA C 13 58.371 0.2 A 56 SER CB C 13 64.400 0.2 A 56 SER N N 15 117.364 0.2 A 57 ASP H H 1 9.049 0.02 A 57 ASP HA H 1 5.377 0.02 A 57 ASP HB2 H 1 2.529 0.02 A 57 ASP HB3 H 1 2.722 0.02 A 57 ASP C C 13 175.275 0.2 A 57 ASP CA C 13 53.399 0.2 A 57 ASP CB C 13 45.501 0.2 A 57 ASP N N 15 121.027 0.2 A 58 THR H H 1 8.632 0.02 A 58 THR HA H 1 5.237 0.02 A 58 THR HB H 1 3.913 0.02 A 58 THR HG2% H 1 1.095 0.02 A 58 THR C C 13 173.860 0.2 A 58 THR CA C 13 61.482 0.2 A 58 THR CB C 13 70.930 0.2 A 58 THR CG2 C 13 21.109 0.2 A 58 THR N N 15 115.779 0.2 A 59 LEU H H 1 9.501 0.02 A 59 LEU HA H 1 4.924 0.02 A 59 LEU HB2 H 1 1.520 0.02 A 59 LEU HB3 H 1 1.700 0.02 A 59 LEU HD1% H 1 0.755 0.02 A 59 LEU HD2% H 1 0.937 0.02 A 59 LEU HG H 1 1.508 0.02 A 59 LEU C C 13 176.994 0.2 A 59 LEU CA C 13 53.223 0.2 A 59 LEU CB C 13 42.541 0.2 A 59 LEU CD1 C 13 26.249 0.2 A 59 LEU CD2 C 13 21.781 0.2 A 59 LEU CG C 13 26.938 0.2 A 59 LEU N N 15 126.558 0.2 A 60 THR H H 1 8.378 0.02 A 60 THR HA H 1 4.519 0.02 A 60 THR HB H 1 4.445 0.02 A 60 THR HG2% H 1 1.094 0.02 A 60 THR C C 13 174.733 0.2 A 60 THR CA C 13 60.962 0.2 A 60 THR CB C 13 69.913 0.2 A 60 THR CG2 C 13 21.388 0.2 A 60 THR N N 15 108.431 0.2 A 61 ASP H H 1 7.623 0.02 A 61 ASP HA H 1 4.514 0.02 A 61 ASP HB2 H 1 2.504 0.02 A 61 ASP HB3 H 1 2.766 0.02 A 61 ASP C C 13 173.634 0.2 A 61 ASP CA C 13 54.492 0.2 A 61 ASP CB C 13 42.400 0.2 A 61 ASP N N 15 124.501 0.2 A 62 TYR H H 1 8.221 0.02 A 62 TYR HA H 1 3.962 0.02 A 62 TYR HB2 H 1 3.240 0.02 A 62 TYR HB3 H 1 2.633 0.02 A 62 TYR HD1 H 1 6.835 0.02 A 62 TYR HD2 H 1 6.835 0.02 A 62 TYR HE1 H 1 6.626 0.02 A 62 TYR HE2 H 1 6.626 0.02 A 62 TYR C C 13 176.213 0.2 A 62 TYR CA C 13 62.010 0.2 A 62 TYR CB C 13 38.271 0.2 A 62 TYR CD1 C 13 132.820 0.2 A 62 TYR CD2 C 13 132.820 0.2 A 62 TYR CE1 C 13 117.706 0.2 A 62 TYR CE2 C 13 117.706 0.2 A 62 TYR N N 15 119.825 0.2 A 63 HIS H H 1 8.076 0.02 A 63 HIS HA H 1 5.275 0.02 A 63 HIS HBx H 1 3.127 0.02 A 63 HIS HBy H 1 3.127 0.02 A 63 HIS HD2 H 1 7.205 0.02 A 63 HIS HE1 H 1 8.466 0.02 A 63 HIS C C 13 173.166 0.2 A 63 HIS CA C 13 53.180 0.2 A 63 HIS CB C 13 27.233 0.2 A 63 HIS CD2 C 13 120.429 0.2 A 63 HIS CE1 C 13 135.915 0.2 A 63 HIS N N 15 113.752 0.2 A 63 HIS ND1 N 15 178.593 0.2 A 63 HIS NE2 N 15 177.833 0.2 A 64 TYR H H 1 8.262 0.02 A 64 TYR HA H 1 4.750 0.02 A 64 TYR HBy H 1 3.084 0.02 A 64 TYR HBx H 1 2.875 0.02 A 64 TYR HD1 H 1 6.570 0.02 A 64 TYR HD2 H 1 6.570 0.02 A 64 TYR HE1 H 1 6.215 0.02 A 64 TYR HE2 H 1 6.215 0.02 A 64 TYR C C 13 174.494 0.2 A 64 TYR CA C 13 56.691 0.2 A 64 TYR CB C 13 38.804 0.2 A 64 TYR CD1 C 13 133.935 0.2 A 64 TYR CD2 C 13 133.935 0.2 A 64 TYR N N 15 124.502 0.2 A 65 VAL H H 1 8.640 0.02 A 65 VAL HA H 1 4.134 0.02 A 65 VAL HB H 1 2.011 0.02 A 65 VAL HG1% H 1 0.869 0.02 A 65 VAL HG2% H 1 0.816 0.02 A 65 VAL C C 13 174.650 0.2 A 65 VAL CA C 13 62.005 0.2 A 65 VAL CB C 13 34.816 0.2 A 65 VAL CG1 C 13 20.723 0.2 A 65 VAL CG2 C 13 20.404 0.2 A 65 VAL N N 15 121.666 0.2 A 66 SER H H 1 7.907 0.02 A 66 SER HA H 1 4.980 0.02 A 66 SER HBx H 1 3.949 0.02 A 66 SER HBy H 1 4.513 0.02 A 66 SER C C 13 171.993 0.2 A 66 SER CA C 13 57.059 0.2 A 66 SER CB C 13 66.782 0.2 A 66 SER N N 15 121.081 0.2 A 67 THR H H 1 9.114 0.02 A 67 THR HA H 1 4.884 0.02 A 67 THR HB H 1 4.027 0.02 A 67 THR HG2% H 1 1.170 0.02 A 67 THR C C 13 171.561 0.2 A 67 THR CA C 13 58.569 0.2 A 67 THR CB C 13 71.303 0.2 A 67 THR CG2 C 13 21.421 0.2 A 67 THR N N 15 114.322 0.2 A 68 PRO HA H 1 3.424 0.02 A 68 PRO HBy H 1 1.880 0.02 A 68 PRO HBx H 1 1.830 0.02 A 68 PRO HD2 H 1 3.803 0.02 A 68 PRO HD3 H 1 3.665 0.02 A 68 PRO HG2 H 1 2.040 0.02 A 68 PRO HG3 H 1 1.929 0.02 A 68 PRO C C 13 176.525 0.2 A 68 PRO CA C 13 62.014 0.2 A 68 PRO CB C 13 31.800 0.2 A 68 PRO CD C 13 49.974 0.2 A 68 PRO CG C 13 26.580 0.2 A 69 LYS H H 1 5.957 0.02 A 69 LYS HA H 1 4.178 0.02 A 69 LYS HB2 H 1 0.755 0.02 A 69 LYS HB3 H 1 1.209 0.02 A 69 LYS HDy H 1 0.983 0.02 A 69 LYS HDx H 1 0.092 0.02 A 69 LYS HEy H 1 2.746 0.02 A 69 LYS HEx H 1 2.540 0.02 A 69 LYS HGy H 1 0.880 0.02 A 69 LYS HGx H 1 0.742 0.02 A 69 LYS C C 13 177.151 0.2 A 69 LYS CA C 13 55.470 0.2 A 69 LYS CB C 13 34.125 0.2 A 69 LYS CD C 13 28.638 0.2 A 69 LYS CE C 13 42.076 0.2 A 69 LYS CG C 13 26.117 0.2 A 69 LYS N N 15 119.398 0.2 A 70 ASP H H 1 8.868 0.02 A 70 ASP HA H 1 4.761 0.02 A 70 ASP HBy H 1 2.666 0.02 A 70 ASP HBx H 1 2.520 0.02 A 70 ASP C C 13 174.494 0.2 A 70 ASP CA C 13 53.951 0.2 A 70 ASP CB C 13 40.671 0.2 A 70 ASP N N 15 125.665 0.2 A 71 ILE H H 1 8.826 0.02 A 71 ILE HA H 1 4.346 0.02 A 71 ILE HB H 1 1.188 0.02 A 71 ILE HD1% H 1 -0.271 0.02 A 71 ILE HG1y H 1 0.855 0.02 A 71 ILE HG1x H 1 0.349 0.02 A 71 ILE HG2% H 1 0.557 0.02 A 71 ILE C C 13 173.106 0.2 A 71 ILE CA C 13 58.217 0.2 A 71 ILE CB C 13 39.314 0.2 A 71 ILE CD1 C 13 12.993 0.2 A 71 ILE CG1 C 13 26.913 0.2 A 71 ILE CG2 C 13 17.308 0.2 A 71 ILE N N 15 128.971 0.2 A 72 PRO HA H 1 4.349 0.02 A 72 PRO HBy H 1 2.319 0.02 A 72 PRO HBx H 1 1.900 0.02 A 72 PRO HDy H 1 3.833 0.02 A 72 PRO HDx H 1 3.688 0.02 A 72 PRO HGy H 1 2.116 0.02 A 72 PRO HGx H 1 1.979 0.02 A 72 PRO C C 13 177.776 0.2 A 72 PRO CA C 13 63.727 0.2 A 72 PRO CB C 13 31.754 0.2 A 72 PRO CD C 13 51.016 0.2 A 72 PRO CG C 13 27.287 0.2 A 73 GLY H H 1 8.962 0.02 A 73 GLY HA2 H 1 3.552 0.02 A 73 GLY HA3 H 1 4.229 0.02 A 73 GLY C C 13 173.556 0.2 A 73 GLY CA C 13 45.000 0.2 A 73 GLY N N 15 110.467 0.2 A 74 TYR H H 1 8.296 0.02 A 74 TYR HA H 1 5.184 0.02 A 74 TYR HB2 H 1 2.663 0.02 A 74 TYR HB3 H 1 2.886 0.02 A 74 TYR HD1 H 1 6.806 0.02 A 74 TYR HD2 H 1 6.806 0.02 A 74 TYR HE1 H 1 6.805 0.02 A 74 TYR HE2 H 1 6.805 0.02 A 74 TYR C C 13 174.572 0.2 A 74 TYR CA C 13 57.526 0.2 A 74 TYR CB C 13 42.558 0.2 A 74 TYR CD1 C 13 133.187 0.2 A 74 TYR CD2 C 13 133.187 0.2 A 74 TYR CE1 C 13 117.331 0.2 A 74 TYR CE2 C 13 117.331 0.2 A 74 TYR N N 15 119.210 0.2 A 75 LYS H H 1 9.474 0.02 A 75 LYS HA H 1 4.945 0.02 A 75 LYS HB2 H 1 1.685 0.02 A 75 LYS HB3 H 1 1.870 0.02 A 75 LYS HDy H 1 1.752 0.02 A 75 LYS HDx H 1 1.701 0.02 A 75 LYS HEx H 1 3.035 0.02 A 75 LYS HEy H 1 3.035 0.02 A 75 LYS HGy H 1 1.473 0.02 A 75 LYS HGx H 1 1.397 0.02 A 75 LYS C C 13 175.744 0.2 A 75 LYS CA C 13 54.280 0.2 A 75 LYS CB C 13 35.612 0.2 A 75 LYS CD C 13 29.159 0.2 A 75 LYS CE C 13 42.044 0.2 A 75 LYS CG C 13 24.278 0.2 A 75 LYS N N 15 121.574 0.2 A 76 LEU H H 1 9.200 0.02 A 76 LEU HA H 1 3.582 0.02 A 76 LEU HB2 H 1 1.239 0.02 A 76 LEU HB3 H 1 1.610 0.02 A 76 LEU HD1% H 1 0.619 0.02 A 76 LEU HD2% H 1 0.821 0.02 A 76 LEU HG H 1 1.227 0.02 A 76 LEU C C 13 176.838 0.2 A 76 LEU CA C 13 55.942 0.2 A 76 LEU CB C 13 41.707 0.2 A 76 LEU CD1 C 13 23.157 0.2 A 76 LEU CD2 C 13 26.403 0.2 A 76 LEU CG C 13 26.470 0.2 A 76 LEU N N 15 131.746 0.2 A 77 ARG H H 1 9.548 0.02 A 77 ARG HA H 1 4.243 0.02 A 77 ARG HB2 H 1 1.614 0.02 A 77 ARG HB3 H 1 1.926 0.02 A 77 ARG HDy H 1 3.218 0.02 A 77 ARG HDx H 1 2.938 0.02 A 77 ARG HE H 1 8.152 0.02 A 77 ARG HGy H 1 1.681 0.02 A 77 ARG HGx H 1 1.597 0.02 A 77 ARG HH1x H 1 6.881 0.02 A 77 ARG HH1y H 1 6.881 0.02 A 77 ARG HH2x H 1 7.330 0.02 A 77 ARG HH2y H 1 7.330 0.02 A 77 ARG C C 13 176.213 0.2 A 77 ARG CA C 13 59.233 0.2 A 77 ARG CB C 13 32.258 0.2 A 77 ARG CD C 13 44.119 0.2 A 77 ARG CG C 13 26.495 0.2 A 77 ARG N N 15 128.591 0.2 A 77 ARG NE N 15 83.812 0.2 A 78 GLU H H 1 7.075 0.02 A 78 GLU HA H 1 4.576 0.02 A 78 GLU HBx H 1 1.859 0.02 A 78 GLU HBy H 1 2.172 0.02 A 78 GLU HGy H 1 1.974 0.02 A 78 GLU HGx H 1 1.861 0.02 A 78 GLU C C 13 174.025 0.2 A 78 GLU CA C 13 54.095 0.2 A 78 GLU CB C 13 31.305 0.2 A 78 GLU CG C 13 34.145 0.2 A 78 GLU N N 15 111.094 0.2 A 79 ILE H H 1 8.717 0.02 A 79 ILE HA H 1 4.464 0.02 A 79 ILE HB H 1 1.911 0.02 A 79 ILE HD1% H 1 0.935 0.02 A 79 ILE HG1y H 1 1.653 0.02 A 79 ILE HG1x H 1 1.309 0.02 A 79 ILE HG2% H 1 1.018 0.02 A 79 ILE C C 13 174.651 0.2 A 79 ILE CA C 13 57.865 0.2 A 79 ILE CB C 13 37.605 0.2 A 79 ILE CD1 C 13 11.546 0.2 A 79 ILE CG1 C 13 27.623 0.2 A 79 ILE CG2 C 13 16.611 0.2 A 79 ILE N N 15 124.090 0.2 A 80 PRO HA H 1 4.477 0.02 A 80 PRO HB2 H 1 1.637 0.02 A 80 PRO HB3 H 1 2.310 0.02 A 80 PRO HD2 H 1 3.119 0.02 A 80 PRO HD3 H 1 3.640 0.02 A 80 PRO HG2 H 1 0.802 0.02 A 80 PRO HG3 H 1 1.398 0.02 A 80 PRO C C 13 178.165 0.2 A 80 PRO CA C 13 62.680 0.2 A 80 PRO CB C 13 32.497 0.2 A 80 PRO CD C 13 52.026 0.2 A 80 PRO CG C 13 26.896 0.2 A 81 HIS H H 1 8.832 0.02 A 81 HIS HA H 1 4.384 0.02 A 81 HIS HBx H 1 3.224 0.02 A 81 HIS HBy H 1 3.224 0.02 A 81 HIS HD2 H 1 7.183 0.02 A 81 HIS HE1 H 1 8.056 0.02 A 81 HIS C C 13 174.963 0.2 A 81 HIS CA C 13 57.883 0.2 A 81 HIS CB C 13 29.245 0.2 A 81 HIS CD2 C 13 119.585 0.2 A 81 HIS CE1 C 13 137.964 0.2 A 81 HIS N N 15 120.534 0.2 A 81 HIS ND1 N 15 213.899 0.2 A 81 HIS NE2 N 15 176.366 0.2 A 82 ASN H H 1 7.505 0.02 A 82 ASN HA H 1 4.870 0.02 A 82 ASN HB2 H 1 2.886 0.02 A 82 ASN HB3 H 1 2.380 0.02 A 82 ASN HD21 H 1 7.342 0.02 A 82 ASN HD22 H 1 6.828 0.02 A 82 ASN C C 13 175.353 0.2 A 82 ASN CA C 13 50.530 0.2 A 82 ASN CB C 13 36.565 0.2 A 82 ASN N N 15 115.457 0.2 A 82 ASN ND2 N 15 108.922 0.2 A 83 ALA H H 1 7.218 0.02 A 83 ALA HA H 1 3.850 0.02 A 83 ALA HB% H 1 1.421 0.02 A 83 ALA C C 13 177.541 0.2 A 83 ALA CA C 13 54.777 0.2 A 83 ALA CB C 13 19.026 0.2 A 83 ALA N N 15 120.015 0.2 A 84 THR H H 1 7.768 0.02 A 84 THR HA H 1 4.393 0.02 A 84 THR HB H 1 4.059 0.02 A 84 THR HG2% H 1 1.182 0.02 A 84 THR C C 13 171.993 0.2 A 84 THR CA C 13 58.914 0.2 A 84 THR CB C 13 70.944 0.2 A 84 THR CG2 C 13 21.420 0.2 A 84 THR N N 15 108.747 0.2 A 85 GLY H H 1 6.579 0.02 A 85 GLY HAx H 1 3.615 0.02 A 85 GLY HAy H 1 3.615 0.02 A 85 GLY C C 13 169.884 0.2 A 85 GLY CA C 13 45.670 0.2 A 85 GLY N N 15 107.564 0.2 A 86 ASN H H 1 8.207 0.02 A 86 ASN HA H 1 6.111 0.02 A 86 ASN HBy H 1 2.416 0.02 A 86 ASN HBx H 1 1.943 0.02 A 86 ASN HD2y H 1 7.299 0.02 A 86 ASN HD2x H 1 7.048 0.02 A 86 ASN C C 13 175.979 0.2 A 86 ASN CA C 13 49.965 0.2 A 86 ASN CB C 13 41.019 0.2 A 86 ASN N N 15 117.175 0.2 A 86 ASN ND2 N 15 113.518 0.2 A 87 ILE H H 1 9.009 0.02 A 87 ILE HA H 1 4.001 0.02 A 87 ILE HB H 1 2.071 0.02 A 87 ILE HD1% H 1 0.548 0.02 A 87 ILE HG12 H 1 0.684 0.02 A 87 ILE HG13 H 1 2.164 0.02 A 87 ILE HG2% H 1 0.832 0.02 A 87 ILE C C 13 175.041 0.2 A 87 ILE CA C 13 62.356 0.2 A 87 ILE CB C 13 35.516 0.2 A 87 ILE CD1 C 13 14.197 0.2 A 87 ILE CG1 C 13 27.265 0.2 A 87 ILE CG2 C 13 19.480 0.2 A 87 ILE N N 15 122.446 0.2 A 88 THR H H 1 7.802 0.02 A 88 THR HA H 1 4.441 0.02 A 88 THR HB H 1 4.492 0.02 A 88 THR HG2% H 1 1.222 0.02 A 88 THR C C 13 173.869 0.2 A 88 THR CA C 13 61.651 0.2 A 88 THR CB C 13 69.214 0.2 A 88 THR CG2 C 13 22.130 0.2 A 88 THR N N 15 115.074 0.2 A 89 ASP H H 1 7.744 0.02 A 89 ASP HA H 1 4.646 0.02 A 89 ASP HBx H 1 2.507 0.02 A 89 ASP HBy H 1 2.575 0.02 A 89 ASP C C 13 174.512 0.2 A 89 ASP CA C 13 52.280 0.2 A 89 ASP CB C 13 44.101 0.2 A 89 ASP N N 15 118.790 0.2 A 90 THR H H 1 8.313 0.02 A 90 THR HA H 1 4.141 0.02 A 90 THR HB H 1 3.797 0.02 A 90 THR HG2% H 1 0.791 0.02 A 90 THR C C 13 174.849 0.2 A 90 THR CA C 13 60.988 0.2 A 90 THR CB C 13 69.605 0.2 A 90 THR CG2 C 13 20.646 0.2 A 90 THR N N 15 111.269 0.2 A 91 GLY H H 1 8.537 0.02 A 91 GLY HAx H 1 3.792 0.02 A 91 GLY HAy H 1 3.899 0.02 A 91 GLY C C 13 174.947 0.2 A 91 GLY CA C 13 45.905 0.2 A 91 GLY N N 15 110.475 0.2 A 92 ILE H H 1 9.248 0.02 A 92 ILE HA H 1 3.769 0.02 A 92 ILE HB H 1 1.888 0.02 A 92 ILE HD1% H 1 1.011 0.02 A 92 ILE HG12 H 1 0.921 0.02 A 92 ILE HG13 H 1 1.464 0.02 A 92 ILE HG2% H 1 0.656 0.02 A 92 ILE C C 13 175.744 0.2 A 92 ILE CA C 13 63.346 0.2 A 92 ILE CB C 13 37.212 0.2 A 92 ILE CD1 C 13 14.401 0.2 A 92 ILE CG1 C 13 27.955 0.2 A 92 ILE CG2 C 13 17.276 0.2 A 92 ILE N N 15 123.498 0.2 A 93 ILE H H 1 8.059 0.02 A 93 ILE HA H 1 4.939 0.02 A 93 ILE HB H 1 1.516 0.02 A 93 ILE HD1% H 1 0.753 0.02 A 93 ILE HG12 H 1 0.863 0.02 A 93 ILE HG13 H 1 1.486 0.02 A 93 ILE HG2% H 1 0.609 0.02 A 93 ILE C C 13 175.432 0.2 A 93 ILE CA C 13 59.252 0.2 A 93 ILE CB C 13 41.030 0.2 A 93 ILE CD1 C 13 13.507 0.2 A 93 ILE CG1 C 13 27.402 0.2 A 93 ILE CG2 C 13 16.632 0.2 A 93 ILE N N 15 129.171 0.2 A 94 VAL H H 1 9.240 0.02 A 94 VAL HA H 1 3.940 0.02 A 94 VAL HB H 1 1.917 0.02 A 94 VAL HG1% H 1 0.540 0.02 A 94 VAL HG2% H 1 0.577 0.02 A 94 VAL C C 13 173.519 0.2 A 94 VAL CA C 13 60.663 0.2 A 94 VAL CB C 13 33.111 0.2 A 94 VAL CG1 C 13 21.089 0.2 A 94 VAL CG2 C 13 20.137 0.2 A 94 VAL N N 15 130.818 0.2 A 95 ARG H H 1 8.753 0.02 A 95 ARG HA H 1 4.868 0.02 A 95 ARG HBx H 1 1.509 0.02 A 95 ARG HBy H 1 1.509 0.02 A 95 ARG HDx H 1 3.116 0.02 A 95 ARG HDy H 1 3.116 0.02 A 95 ARG HE H 1 7.377 0.02 A 95 ARG HGx H 1 1.345 0.02 A 95 ARG HGy H 1 1.345 0.02 A 95 ARG HH1x H 1 6.658 0.02 A 95 ARG HH1y H 1 6.658 0.02 A 95 ARG HH2x H 1 6.870 0.02 A 95 ARG HH2y H 1 6.870 0.02 A 95 ARG C C 13 174.338 0.2 A 95 ARG CA C 13 54.454 0.2 A 95 ARG CB C 13 32.065 0.2 A 95 ARG CD C 13 43.430 0.2 A 95 ARG CG C 13 28.299 0.2 A 95 ARG N N 15 127.742 0.2 A 95 ARG NE N 15 84.613 0.2 A 96 TYR H H 1 8.983 0.02 A 96 TYR HA H 1 4.438 0.02 A 96 TYR HB2 H 1 3.333 0.02 A 96 TYR HB3 H 1 2.989 0.02 A 96 TYR HD1 H 1 7.062 0.02 A 96 TYR HD2 H 1 7.062 0.02 A 96 TYR HE1 H 1 6.514 0.02 A 96 TYR HE2 H 1 6.514 0.02 A 96 TYR C C 13 173.947 0.2 A 96 TYR CA C 13 58.570 0.2 A 96 TYR CB C 13 39.990 0.2 A 96 TYR CD1 C 13 132.822 0.2 A 96 TYR CD2 C 13 132.822 0.2 A 96 TYR CE1 C 13 117.387 0.2 A 96 TYR CE2 C 13 117.387 0.2 A 96 TYR N N 15 127.302 0.2 A 97 ILE H H 1 8.769 0.02 A 97 ILE HA H 1 4.695 0.02 A 97 ILE HB H 1 1.553 0.02 A 97 ILE HD1% H 1 0.794 0.02 A 97 ILE HG1y H 1 1.473 0.02 A 97 ILE HG1x H 1 0.788 0.02 A 97 ILE HG2% H 1 0.734 0.02 A 97 ILE C C 13 174.416 0.2 A 97 ILE CA C 13 60.659 0.2 A 97 ILE CB C 13 39.315 0.2 A 97 ILE CD1 C 13 13.526 0.2 A 97 ILE CG1 C 13 27.238 0.2 A 97 ILE CG2 C 13 16.613 0.2 A 97 ILE N N 15 123.683 0.2 A 98 TYR H H 1 9.433 0.02 A 98 TYR HA H 1 5.042 0.02 A 98 TYR HB2 H 1 2.784 0.02 A 98 TYR HB3 H 1 2.717 0.02 A 98 TYR HD1 H 1 7.109 0.02 A 98 TYR HD2 H 1 7.109 0.02 A 98 TYR HE1 H 1 6.943 0.02 A 98 TYR HE2 H 1 6.943 0.02 A 98 TYR HH H 1 9.221 0.02 A 98 TYR C C 13 174.806 0.2 A 98 TYR CA C 13 55.959 0.2 A 98 TYR CB C 13 42.057 0.2 A 98 TYR CE1 C 13 118.061 0.2 A 98 TYR CE2 C 13 118.061 0.2 A 98 TYR N N 15 125.723 0.2 A 99 ASP H H 1 8.734 0.02 A 99 ASP HA H 1 5.346 0.02 A 99 ASP HBy H 1 2.615 0.02 A 99 ASP HBx H 1 2.515 0.02 A 99 ASP C C 13 176.135 0.2 A 99 ASP CA C 13 53.070 0.2 A 99 ASP CB C 13 44.111 0.2 A 99 ASP N N 15 115.923 0.2 A 100 LYS H H 1 8.995 0.02 A 100 LYS HA H 1 3.760 0.02 A 100 LYS HBx H 1 1.681 0.02 A 100 LYS HBy H 1 1.681 0.02 A 100 LYS HDy H 1 1.530 0.02 A 100 LYS HDx H 1 1.481 0.02 A 100 LYS HEx H 1 2.936 0.02 A 100 LYS HEy H 1 2.936 0.02 A 100 LYS HGy H 1 1.162 0.02 A 100 LYS HGx H 1 0.958 0.02 A 100 LYS C C 13 176.730 0.2 A 100 LYS CA C 13 57.089 0.2 A 100 LYS CB C 13 32.966 0.2 A 100 LYS CD C 13 29.005 0.2 A 100 LYS CE C 13 42.054 0.2 A 100 LYS CG C 13 25.140 0.2 A 100 LYS N N 15 124.676 0.2 A 101 ILE H H 1 8.111 0.02 A 101 ILE HA H 1 3.929 0.02 A 101 ILE HB H 1 1.498 0.02 A 101 ILE HD1% H 1 0.745 0.02 A 101 ILE HG12 H 1 0.908 0.02 A 101 ILE HG13 H 1 1.291 0.02 A 101 ILE HG2% H 1 0.788 0.02 A 101 ILE C C 13 175.822 0.2 A 101 ILE CA C 13 61.949 0.2 A 101 ILE CB C 13 38.267 0.2 A 101 ILE CD1 C 13 13.512 0.2 A 101 ILE CG1 C 13 27.822 0.2 A 101 ILE CG2 C 13 17.281 0.2 A 101 ILE N N 15 126.360 0.2 A 102 ILE H H 1 8.237 0.02 A 102 ILE HA H 1 4.165 0.02 A 102 ILE HB H 1 1.825 0.02 A 102 ILE HD1% H 1 0.805 0.02 A 102 ILE HG1y H 1 1.402 0.02 A 102 ILE HG1x H 1 1.149 0.02 A 102 ILE HG2% H 1 0.847 0.02 A 102 ILE C C 13 175.424 0.2 A 102 ILE CA C 13 60.458 0.2 A 102 ILE CB C 13 38.568 0.2 A 102 ILE CD1 C 13 12.494 0.2 A 102 ILE CG1 C 13 26.767 0.2 A 102 ILE CG2 C 13 17.297 0.2 A 102 ILE N N 15 126.127 0.2 A 103 ASP H H 1 8.293 0.02 A 103 ASP HA H 1 4.639 0.02 A 103 ASP HBy H 1 2.690 0.02 A 103 ASP HBx H 1 2.549 0.02 A 103 ASP C C 13 176.068 0.2 A 103 ASP CA C 13 53.933 0.2 A 103 ASP CB C 13 41.349 0.2 A 103 ASP N N 15 124.921 0.2 A 104 VAL H H 1 8.088 0.02 A 104 VAL HA H 1 4.134 0.02 A 104 VAL HB H 1 2.084 0.02 A 104 VAL HG1% H 1 0.846 0.02 A 104 VAL HG2% H 1 0.867 0.02 A 104 VAL C C 13 175.920 0.2 A 104 VAL CA C 13 61.987 0.2 A 104 VAL CB C 13 32.435 0.2 A 104 VAL CG1 C 13 21.074 0.2 A 104 VAL CG2 C 13 19.733 0.2 A 104 VAL N N 15 120.210 0.2 A 105 SER H H 1 8.337 0.02 A 105 SER HA H 1 4.407 0.02 A 105 SER HBx H 1 3.782 0.02 A 105 SER HBy H 1 3.782 0.02 A 105 SER C C 13 174.025 0.2 A 105 SER CA C 13 58.211 0.2 A 105 SER CB C 13 63.700 0.2 A 105 SER N N 15 118.821 0.2 A 106 TYR H H 1 8.146 0.02 A 106 TYR HA H 1 4.576 0.02 A 106 TYR HBy H 1 3.019 0.02 A 106 TYR HBx H 1 2.942 0.02 A 106 TYR HD1 H 1 7.083 0.02 A 106 TYR HD2 H 1 7.083 0.02 A 106 TYR HE1 H 1 6.795 0.02 A 106 TYR HE2 H 1 6.795 0.02 A 106 TYR C C 13 175.290 0.2 A 106 TYR CA C 13 57.873 0.2 A 106 TYR CB C 13 38.636 0.2 A 106 TYR CD1 C 13 132.986 0.2 A 106 TYR CD2 C 13 132.986 0.2 A 106 TYR CE1 C 13 118.050 0.2 A 106 TYR CE2 C 13 118.050 0.2 A 106 TYR N N 15 122.661 0.2 A 107 VAL H H 1 7.875 0.02 A 107 VAL HA H 1 4.066 0.02 A 107 VAL HB H 1 1.945 0.02 A 107 VAL HGx% H 1 0.852 0.02 A 107 VAL HGy% H 1 0.852 0.02 A 107 VAL C C 13 175.119 0.2 A 107 VAL CA C 13 61.665 0.2 A 107 VAL CB C 13 33.130 0.2 A 107 VAL CG1 C 13 20.624 0.2 A 107 VAL CG2 C 13 20.624 0.2 A 107 VAL N N 15 122.344 0.2 A 108 ASP H H 1 8.326 0.02 A 108 ASP HA H 1 4.582 0.02 A 108 ASP HBy H 1 2.737 0.02 A 108 ASP HBx H 1 2.685 0.02 A 108 ASP C C 13 176.604 0.2 A 108 ASP CA C 13 53.753 0.2 A 108 ASP CB C 13 41.071 0.2 A 108 ASP N N 15 123.971 0.2 A 109 GLU H H 1 8.601 0.02 A 109 GLU HA H 1 4.330 0.02 A 109 GLU HBx H 1 1.953 0.02 A 109 GLU HBy H 1 2.137 0.02 A 109 GLU HGy H 1 2.292 0.02 A 109 GLU HGx H 1 2.220 0.02 A 109 GLU C C 13 177.072 0.2 A 109 GLU CA C 13 56.863 0.2 A 109 GLU CB C 13 29.902 0.2 A 109 GLU CG C 13 36.197 0.2 A 109 GLU N N 15 122.622 0.2 A 110 THR H H 1 8.336 0.02 A 110 THR HA H 1 4.283 0.02 A 110 THR HB H 1 4.246 0.02 A 110 THR HG2% H 1 1.235 0.02 A 110 THR C C 13 175.666 0.2 A 110 THR CA C 13 62.712 0.2 A 110 THR CB C 13 69.650 0.2 A 110 THR CG2 C 13 21.436 0.2 A 110 THR N N 15 113.955 0.2 A 111 GLY H H 1 8.436 0.02 A 111 GLY HAx H 1 3.948 0.02 A 111 GLY HAy H 1 3.948 0.02 A 111 GLY C C 13 174.494 0.2 A 111 GLY CA C 13 45.485 0.2 A 111 GLY N N 15 111.056 0.2 A 112 LYS H H 1 7.991 0.02 A 112 LYS HA H 1 4.266 0.02 A 112 LYS HBy H 1 1.819 0.02 A 112 LYS HBx H 1 1.747 0.02 A 112 LYS HDx H 1 1.649 0.02 A 112 LYS HDy H 1 1.649 0.02 A 112 LYS HEx H 1 2.977 0.02 A 112 LYS HEy H 1 2.977 0.02 A 112 LYS HGx H 1 1.368 0.02 A 112 LYS HGy H 1 1.407 0.02 A 112 LYS C C 13 176.291 0.2 A 112 LYS CA C 13 56.479 0.2 A 112 LYS CB C 13 32.800 0.2 A 112 LYS CD C 13 28.980 0.2 A 112 LYS CE C 13 42.049 0.2 A 112 LYS CG C 13 24.505 0.2 A 112 LYS N N 15 120.632 0.2 A 113 ASP H H 1 8.387 0.02 A 113 ASP HA H 1 4.566 0.02 A 113 ASP HBy H 1 2.691 0.02 A 113 ASP HBx H 1 2.573 0.02 A 113 ASP C C 13 175.900 0.2 A 113 ASP CA C 13 54.427 0.2 A 113 ASP CB C 13 40.679 0.2 A 113 ASP N N 15 120.379 0.2 A 114 LEU H H 1 8.032 0.02 A 114 LEU HA H 1 4.326 0.02 A 114 LEU HBx H 1 1.577 0.02 A 114 LEU HBy H 1 1.577 0.02 A 114 LEU HD1% H 1 0.883 0.02 A 114 LEU HD2% H 1 0.838 0.02 A 114 LEU HG H 1 1.568 0.02 A 114 LEU C C 13 177.000 0.2 A 114 LEU CA C 13 54.771 0.2 A 114 LEU CB C 13 42.200 0.2 A 114 LEU CD1 C 13 24.849 0.2 A 114 LEU CD2 C 13 23.176 0.2 A 114 LEU CG C 13 26.695 0.2 A 114 LEU N N 15 121.801 0.2 A 115 LEU H H 1 8.088 0.02 A 115 LEU HA H 1 4.599 0.02 A 115 LEU HB2 H 1 1.611 0.02 A 115 LEU HB3 H 1 1.545 0.02 A 115 LEU HD1% H 1 0.932 0.02 A 115 LEU HD2% H 1 0.894 0.02 A 115 LEU HG H 1 1.657 0.02 A 115 LEU C C 13 175.056 0.2 A 115 LEU CA C 13 52.760 0.2 A 115 LEU CB C 13 41.502 0.2 A 115 LEU CD1 C 13 25.144 0.2 A 115 LEU CD2 C 13 23.187 0.2 A 115 LEU CG C 13 26.849 0.2 A 115 LEU N N 15 124.090 0.2 A 116 PRO HA H 1 4.431 0.02 A 116 PRO HBy H 1 2.254 0.02 A 116 PRO HBx H 1 1.842 0.02 A 116 PRO HD2 H 1 3.621 0.02 A 116 PRO HD3 H 1 3.815 0.02 A 116 PRO HGx H 1 1.998 0.02 A 116 PRO HGy H 1 1.998 0.02 A 116 PRO C C 13 176.739 0.2 A 116 PRO CA C 13 62.702 0.2 A 116 PRO CB C 13 31.829 0.2 A 116 PRO CD C 13 50.324 0.2 A 116 PRO CG C 13 27.265 0.2 A 117 VAL H H 1 8.215 0.02 A 117 VAL HA H 1 4.062 0.02 A 117 VAL HB H 1 2.025 0.02 A 117 VAL HGx% H 1 0.953 0.02 A 117 VAL HGy% H 1 0.953 0.02 A 117 VAL C C 13 176.286 0.2 A 117 VAL CA C 13 62.334 0.2 A 117 VAL CB C 13 32.533 0.2 A 117 VAL CG1 C 13 20.719 0.2 A 117 VAL CG2 C 13 20.719 0.2 A 117 VAL N N 15 121.037 0.2 A 118 VAL H H 1 8.184 0.02 A 118 VAL HA H 1 4.113 0.02 A 118 VAL HB H 1 2.020 0.02 A 118 VAL HGx% H 1 0.907 0.02 A 118 VAL HGy% H 1 0.907 0.02 A 118 VAL C C 13 175.744 0.2 A 118 VAL CA C 13 61.995 0.2 A 118 VAL CB C 13 32.755 0.2 A 118 VAL CG1 C 13 20.751 0.2 A 118 VAL CG2 C 13 20.751 0.2 A 118 VAL N N 15 124.450 0.2 A 119 GLU H H 1 8.422 0.02 A 119 GLU HA H 1 4.300 0.02 A 119 GLU HBx H 1 1.889 0.02 A 119 GLU HBy H 1 1.976 0.02 A 119 GLU HGx H 1 2.158 0.02 A 119 GLU HGy H 1 2.238 0.02 A 119 GLU C C 13 175.979 0.2 A 119 GLU CA C 13 56.160 0.2 A 119 GLU CB C 13 30.367 0.2 A 119 GLU CG C 13 36.157 0.2 A 119 GLU N N 15 125.283 0.2 A 120 ILE H H 1 8.277 0.02 A 120 ILE HA H 1 4.132 0.02 A 120 ILE HB H 1 1.831 0.02 A 120 ILE HD1% H 1 0.839 0.02 A 120 ILE HG1y H 1 1.466 0.02 A 120 ILE HG1x H 1 1.158 0.02 A 120 ILE HG2% H 1 0.852 0.02 A 120 ILE C C 13 175.822 0.2 A 120 ILE CA C 13 60.882 0.2 A 120 ILE CB C 13 38.581 0.2 A 120 ILE CD1 C 13 12.488 0.2 A 120 ILE CG1 C 13 27.177 0.2 A 120 ILE CG2 C 13 17.300 0.2 A 120 ILE N N 15 123.475 0.2 A 121 ILE H H 1 8.278 0.02 A 121 ILE HA H 1 4.150 0.02 A 121 ILE HB H 1 1.832 0.02 A 121 ILE HD1% H 1 0.821 0.02 A 121 ILE HG1y H 1 1.443 0.02 A 121 ILE HG1x H 1 1.163 0.02 A 121 ILE HG2% H 1 0.862 0.02 A 121 ILE C C 13 175.884 0.2 A 121 ILE CA C 13 60.815 0.2 A 121 ILE CB C 13 38.554 0.2 A 121 ILE CD1 C 13 12.506 0.2 A 121 ILE CG1 C 13 27.141 0.2 A 121 ILE CG2 C 13 17.206 0.2 A 121 ILE N N 15 125.685 0.2 A 122 ASN H H 1 8.554 0.02 A 122 ASN HA H 1 4.750 0.02 A 122 ASN HBx H 1 2.778 0.02 A 122 ASN HBy H 1 2.858 0.02 A 122 ASN HD2y H 1 7.624 0.02 A 122 ASN HD2x H 1 6.918 0.02 A 122 ASN C C 13 175.353 0.2 A 122 ASN CA C 13 53.007 0.2 A 122 ASN CB C 13 38.642 0.2 A 122 ASN N N 15 123.393 0.2 A 122 ASN ND2 N 15 112.595 0.2 A 123 SER H H 1 8.370 0.02 A 123 SER HA H 1 4.370 0.02 A 123 SER HBx H 1 3.846 0.02 A 123 SER HBy H 1 3.933 0.02 A 123 SER C C 13 174.806 0.2 A 123 SER CA C 13 58.841 0.2 A 123 SER CB C 13 63.631 0.2 A 123 SER N N 15 117.161 0.2 A 124 GLU H H 1 8.447 0.02 A 124 GLU HA H 1 4.250 0.02 A 124 GLU HBx H 1 1.970 0.02 A 124 GLU HBy H 1 2.078 0.02 A 124 GLU HGy H 1 2.288 0.02 A 124 GLU HGx H 1 2.251 0.02 A 124 GLU C C 13 176.604 0.2 A 124 GLU CA C 13 56.860 0.2 A 124 GLU CB C 13 29.680 0.2 A 124 GLU CG C 13 36.128 0.2 A 124 GLU N N 15 122.463 0.2 A 125 ALA H H 1 8.096 0.02 A 125 ALA HA H 1 4.229 0.02 A 125 ALA HB% H 1 1.380 0.02 A 125 ALA C C 13 177.854 0.2 A 125 ALA CA C 13 52.733 0.2 A 125 ALA CB C 13 18.833 0.2 A 125 ALA N N 15 123.703 0.2 A 126 ALA H H 1 8.101 0.02 A 126 ALA HA H 1 4.259 0.02 A 126 ALA HB% H 1 1.379 0.02 A 126 ALA C C 13 178.088 0.2 A 126 ALA CA C 13 52.721 0.2 A 126 ALA CB C 13 18.973 0.2 A 126 ALA N N 15 122.461 0.2 A 127 VAL H H 1 7.926 0.02 A 127 VAL HA H 1 4.000 0.02 A 127 VAL HB H 1 2.067 0.02 A 127 VAL HG1% H 1 0.892 0.02 A 127 VAL HG2% H 1 0.940 0.02 A 127 VAL C C 13 176.447 0.2 A 127 VAL CA C 13 62.674 0.2 A 127 VAL CB C 13 32.380 0.2 A 127 VAL CG1 C 13 21.020 0.2 A 127 VAL CG2 C 13 20.739 0.2 A 127 VAL N N 15 118.780 0.2 A 128 LEU H H 1 8.129 0.02 A 128 LEU HA H 1 4.278 0.02 A 128 LEU HBy H 1 1.602 0.02 A 128 LEU HBx H 1 1.493 0.02 A 128 LEU HD1% H 1 0.889 0.02 A 128 LEU HD2% H 1 0.827 0.02 A 128 LEU HG H 1 1.586 0.02 A 128 LEU C C 13 177.385 0.2 A 128 LEU CA C 13 55.123 0.2 A 128 LEU CB C 13 42.069 0.2 A 128 LEU CD1 C 13 24.877 0.2 A 128 LEU CD2 C 13 23.162 0.2 A 128 LEU CG C 13 26.723 0.2 A 128 LEU N N 15 124.705 0.2 A 129 GLU H H 1 8.180 0.02 A 129 GLU HA H 1 4.161 0.02 A 129 GLU HBx H 1 1.893 0.02 A 129 GLU HBy H 1 1.893 0.02 A 129 GLU HGy H 1 2.202 0.02 A 129 GLU HGx H 1 2.140 0.02 A 129 GLU C C 13 176.291 0.2 A 129 GLU CA C 13 56.525 0.2 A 129 GLU CB C 13 30.069 0.2 A 129 GLU CG C 13 35.890 0.2 A 129 GLU N N 15 120.832 0.2 A 130 HIS H H 1 8.250 0.02 A 130 HIS C C 13 174.927 0.2 A 130 HIS CA C 13 55.600 0.2 A 130 HIS CB C 13 29.700 0.2 A 130 HIS N N 15 119.197 0.2 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 100 LYS H A 99 ASP HBy 1.0 . 4.75 2 2 A 100 LYS H A 74 TYR HE% 1.0 . 4.63 3 3 A 100 LYS H A 99 ASP HBx 1.0 . 4.75 4 4 A 100 LYS H A 99 ASP HA 1.0 . 3.11 5 5 A 100 LYS H A 101 ILE H 1.0 . 5.40 6 6 A 100 LYS H A 48 ALA H 1.0 . 5.28 7 7 A 49 ASP H A 51 ALA H 1.0 . 4.23 8 8 A 51 ALA H A 46 VAL HG2% 1.0 . 5.46 9 9 A 51 ALA H A 53 ILE HG2% 1.0 . 6.14 10 10 A 51 ALA H A 51 ALA HB% 1.0 . 3.05 11 11 A 51 ALA H A 49 ASP HB2 1.0 . 4.40 12 12 A 51 ALA H A 46 VAL HA 1.0 . 5.24 13 13 A 51 ALA H A 49 ASP HB3 1.0 . 4.83 14 14 A 51 ALA H A 46 VAL HB 1.0 . 4.61 15 15 A 51 ALA H A 46 VAL HG1% 1.0 . 5.20 16 16 A 59 LEU H A 60 THR HA 1.0 . 6.01 17 17 A 59 LEU H A 41 VAL HG1% 1.0 . 5.22 18 18 A 59 LEU H A 41 VAL HG2% 1.0 . 5.50 19 19 A 59 LEU H A 40 THR HB 1.0 . 4.93 20 20 A 59 LEU H A 43 VAL H 1.0 . 5.65 21 21 A 59 LEU H A 87 ILE HD1% 1.0 . 5.75 22 22 A 59 LEU H A 59 LEU HG 1.0 . 4.49 23 23 A 59 LEU H A 41 VAL H 1.0 . 4.02 24 24 A 59 LEU H A 42 LYS H 1.0 . 6.06 25 25 A 59 LEU H A 58 THR HB 1.0 . 4.82 26 26 A 59 LEU H A 58 THR H 1.0 . 5.51 27 27 A 59 LEU H A 60 THR H 1.0 . 5.46 28 28 A 84 THR H A 94 VAL HG1% 1.0 . 5.50 29 29 A 84 THR H A 94 VAL HG2% 1.0 . 5.50 30 30 A 84 THR H A 82 ASN HA 1.0 . 4.78 31 31 A 84 THR H A 84 THR HG2% 1.0 . 4.06 32 32 A 84 THR H A 80 PRO HG2 1.0 . 6.05 33 33 A 84 THR H A 85 GLY H 1.0 . 5.06 34 34 A 84 THR H A 85 GLY HAx 1.0 . 5.81 35 34 A 84 THR H A 85 GLY HAy 1.0 . 5.81 36 35 A 76 LEU H A 98 TYR HE% 1.0 . 5.40 37 36 A 76 LEU H A 75 LYS HGy 1.0 . 4.86 38 37 A 76 LEU H A 76 LEU HB2 1.0 . 3.55 39 38 A 76 LEU H A 98 TYR HD% 1.0 . 5.79 40 39 A 76 LEU H A 75 LYS H 1.0 . 5.19 41 40 A 76 LEU H A 76 LEU HD2% 1.0 . 4.24 42 41 A 76 LEU H A 99 ASP H 1.0 . 6.08 43 42 A 48 ALA HA A 98 TYR H 1.0 . 6.34 44 43 A 98 TYR HE% A 98 TYR H 1.0 . 5.19 45 44 A 99 ASP HA A 98 TYR H 1.0 . 6.12 46 45 A 98 TYR HD% A 98 TYR H 1.0 . 4.54 47 46 A 98 TYR H A 98 TYR HB3 1.0 . 4.20 48 47 A 98 TYR H A 76 LEU HA 1.0 . 5.50 49 48 A 98 TYR H A 74 TYR HD% 1.0 . 5.50 50 49 A 99 ASP H A 98 TYR H 1.0 . 5.50 51 50 A 76 LEU HD1% A 78 GLU H 1.0 . 4.25 52 51 A 78 GLU H A 79 ILE H 1.0 . 5.19 53 52 A 78 GLU H A 97 ILE H 1.0 . 5.50 54 53 A 78 GLU H A 78 GLU HGy 1.0 . 4.91 55 54 A 76 LEU HA A 78 GLU H 1.0 . 5.14 56 55 A 76 LEU HD2% A 78 GLU H 1.0 . 4.59 57 56 A 78 GLU H A 77 ARG H 1.0 . 3.92 58 57 A 78 GLU H A 76 LEU HG 1.0 . 3.72 59 58 A 78 GLU H A 78 GLU HGx 1.0 . 4.91 60 59 A 42 LYS H A 93 ILE H 1.0 . 6.28 61 60 A 93 ILE H A 92 ILE H 1.0 . 5.50 62 61 A 93 ILE H A 82 ASN HD22 1.0 . 5.81 63 62 A 41 VAL HG1% A 93 ILE H 1.0 . 5.97 64 63 A 93 ILE H A 93 ILE HG13 1.0 . 4.59 65 64 A 93 ILE H A 92 ILE HG2% 1.0 . 3.83 66 65 A 93 ILE H A 92 ILE HG12 1.0 . 5.50 67 66 A 93 ILE H A 93 ILE HG12 1.0 . 5.44 68 67 A 93 ILE H A 82 ASN HD21 1.0 . 6.03 69 68 A 69 LYS HB2 A 70 ASP H 1.0 . 5.26 70 69 A 70 ASP H A 69 LYS HGx 1.0 . 5.50 71 70 A 70 ASP H A 70 ASP HBx 1.0 . 4.01 72 71 A 70 ASP H A 69 LYS HGy 1.0 . 5.50 73 72 A 70 ASP H A 70 ASP HBy 1.0 . 4.01 74 73 A 70 ASP H A 69 LYS HB3 1.0 . 4.54 75 74 A 70 ASP H A 69 LYS H 1.0 . 5.66 76 75 A 103 ASP H A 102 ILE HG1y 1.0 . 5.26 77 76 A 95 ARG H A 96 TYR H 1.0 . 5.02 78 77 A 97 ILE H A 96 TYR H 1.0 . 5.11 79 78 A 96 TYR H A 43 VAL HG1% 1.0 . 5.50 80 79 A 46 VAL HG2% A 96 TYR H 1.0 . 5.50 81 80 A 96 TYR H A 95 ARG HGx 1.0 . 4.70 82 80 A 96 TYR H A 95 ARG HGy 1.0 . 4.70 83 81 A 103 ASP H A 101 ILE HA 1.0 . 5.36 84 82 A 103 ASP H A 102 ILE HA 1.0 . 3.39 85 83 A 103 ASP H A 102 ILE HB 1.0 . 4.45 86 84 A 103 ASP H A 103 ASP HBx 1.0 . 4.10 87 85 A 103 ASP H A 101 ILE HG2% 1.0 . 4.07 88 86 A 61 ASP H A 61 ASP HB3 1.0 . 4.09 89 87 A 87 ILE HD1% A 61 ASP H 1.0 . 4.89 90 88 A 61 ASP H A 60 THR HG2% 1.0 . 4.96 91 89 A 61 ASP H A 64 TYR HA 1.0 . 5.33 92 90 A 114 LEU HA A 115 LEU H 1.0 . 3.27 93 91 A 61 ASP H A 59 LEU HD1% 1.0 . 5.71 94 92 A 121 ILE H A 122 ASN H 1.0 . 4.61 95 93 A 61 ASP H A 59 LEU HA 1.0 . 4.30 96 94 A 61 ASP H A 62 TYR H 1.0 . 4.92 97 95 A 97 ILE H A 77 ARG H 1.0 . 5.95 98 96 A 97 ILE H A 80 PRO HD3 1.0 . 5.50 99 97 A 49 ASP H A 51 ALA HB% 1.0 . 4.89 100 98 A 97 ILE H A 96 TYR HA 1.0 . 3.12 101 99 A 97 ILE H A 96 TYR HD% 1.0 . 5.30 102 100 A 98 TYR H A 97 ILE H 1.0 . 5.35 103 101 A 53 ILE H A 52 GLU HBx 1.0 . 4.42 104 101 A 52 GLU HBy A 53 ILE H 1.0 . 4.42 105 102 A 97 ILE H A 96 TYR HB3 1.0 . 4.81 106 103 A 118 VAL HA A 119 GLU H 1.0 . 3.11 107 104 A 93 ILE HG2% A 95 ARG HE 1.0 . 4.70 108 105 A 95 ARG HE A 93 ILE HD1% 1.0 . 5.62 109 106 A 53 ILE H A 54 ALA H 1.0 . 3.23 110 107 A 113 ASP H A 114 LEU H 1.0 . 4.57 111 108 A 53 ILE H A 52 GLU HG2 1.0 . 5.12 112 109 A 107 VAL HB A 108 ASP H 1.0 . 4.38 113 110 A 108 ASP H A 107 VAL HGx% 1.0 . 4.18 114 110 A 108 ASP H A 107 VAL HGy% 1.0 . 4.18 115 111 A 101 ILE H A 100 LYS HEx 1.0 . 5.39 116 111 A 101 ILE H A 100 LYS HEy 1.0 . 5.39 117 112 A 101 ILE H A 75 LYS H 1.0 . 4.90 118 113 A 101 ILE H A 101 ILE HD1% 1.0 . 5.28 119 114 A 101 ILE H A 101 ILE HG12 1.0 . 4.12 120 115 A 101 ILE H A 100 LYS HBx 1.0 . 4.50 121 115 A 101 ILE H A 100 LYS HBy 1.0 . 4.50 122 116 A 49 ASP H A 97 ILE HG2% 1.0 . 6.13 123 117 A 101 ILE H A 100 LYS HGy 1.0 . 4.56 124 118 A 46 VAL HA A 53 ILE H 1.0 . 3.99 125 119 A 101 ILE H A 74 TYR HB2 1.0 . 5.50 126 120 A 92 ILE H A 92 ILE HD1% 1.0 . 4.54 127 121 A 49 ASP H A 50 GLY H 1.0 . 3.13 128 122 A 80 PRO HD2 A 83 ALA H 1.0 . 5.66 129 123 A 49 ASP H A 46 VAL HG2% 1.0 . 6.18 130 124 A 41 VAL HG1% A 92 ILE H 1.0 . 5.50 131 125 A 41 VAL HG2% A 92 ILE H 1.0 . 5.26 132 126 A 59 LEU H A 41 VAL HA 1.0 . 6.14 133 127 A 46 VAL HG2% A 97 ILE H 1.0 . 5.15 134 128 A 92 ILE H A 92 ILE HG13 1.0 . 4.05 135 129 A 49 ASP H A 50 GLY HA3 1.0 . 5.00 136 130 A 103 ASP H A 102 ILE HG1x 1.0 . 5.70 137 131 A 38 ASN HD2x A 40 THR HG2% 1.0 . 6.18 138 132 A 49 ASP H A 47 ASP HBy 1.0 . 5.40 139 133 A 120 ILE HG2% A 122 ASN HD2y 1.0 . 6.44 140 134 A 97 ILE HG2% A 77 ARG HE 1.0 . 4.82 141 135 A 59 LEU H A 43 VAL HG2% 1.0 . 4.88 142 136 A 41 VAL HG2% A 40 THR H 1.0 . 6.24 143 137 A 48 ALA H A 49 ASP H 1.0 . 3.81 144 138 A 41 VAL HG2% A 64 TYR H 1.0 . 5.99 145 139 A 75 LYS H A 98 TYR HB2 1.0 . 4.60 146 140 A 77 ARG H A 97 ILE HG2% 1.0 . 5.59 147 141 A 83 ALA H A 82 ASN HB3 1.0 . 5.50 148 142 A 120 ILE H A 120 ILE HB 1.0 . 3.76 149 143 A 123 SER H A 122 ASN HBy 1.0 . 6.11 150 144 A 82 ASN HD21 A 94 VAL HA 1.0 . 4.79 151 145 A 49 ASP H A 47 ASP H 1.0 . 5.28 152 146 A 53 ILE HG2% A 47 ASP H 1.0 . 3.85 153 147 A 120 ILE H A 119 GLU HGx 1.0 . 5.50 154 148 A 120 ILE H A 119 GLU HGy 1.0 . 5.50 155 149 A 120 ILE H A 120 ILE HG1y 1.0 . 4.41 156 150 A 120 ILE H A 119 GLU HA 1.0 . 3.15 157 151 A 120 ILE HG2% A 120 ILE H 1.0 . 5.50 158 152 A 120 ILE H A 120 ILE HD1% 1.0 . 5.50 159 153 A 74 TYR HE% A 47 ASP H 1.0 . 5.58 160 154 A 92 ILE HG2% A 82 ASN HD21 1.0 . 4.08 161 155 A 86 ASN HA A 86 ASN HD2x 1.0 . 5.98 162 156 A 53 ILE H A 47 ASP H 1.0 . 4.91 163 157 A 47 ASP H A 50 GLY HA2 1.0 . 5.32 164 158 A 47 ASP H A 51 ALA HA 1.0 . 5.76 165 159 A 71 ILE HG2% A 74 TYR H 1.0 . 4.85 166 160 A 74 TYR H A 101 ILE HB 1.0 . 6.02 167 161 A 74 TYR HB2 A 74 TYR H 1.0 . 3.55 168 162 A 74 TYR H A 53 ILE HD1% 1.0 . 5.91 169 163 A 101 ILE HD1% A 74 TYR H 1.0 . 4.30 170 164 A 80 PRO HG2 A 95 ARG H 1.0 . 5.04 171 165 A 74 TYR H A 71 ILE HD1% 1.0 . 6.26 172 166 A 74 TYR H A 71 ILE HB 1.0 . 4.69 173 167 A 95 ARG H A 94 VAL HA 1.0 . 3.08 174 168 A 46 VAL HG2% A 47 ASP H 1.0 . 4.24 175 169 A 75 LYS H A 74 TYR H 1.0 . 5.20 176 170 A 47 ASP H A 53 ILE HD1% 1.0 . 5.09 177 171 A 64 TYR HA A 65 VAL H 1.0 . 3.15 178 172 A 95 ARG H A 94 VAL HB 1.0 . 5.34 179 173 A 65 VAL H A 65 VAL HB 1.0 . 3.86 180 174 A 65 VAL H A 64 TYR HD% 1.0 . 5.41 181 175 A 95 ARG H A 95 ARG HGx 1.0 . 4.65 182 175 A 95 ARG H A 95 ARG HGy 1.0 . 4.65 183 176 A 95 ARG H A 94 VAL H 1.0 . 5.31 184 177 A 65 VAL H A 66 SER H 1.0 . 5.26 185 178 A 60 THR H A 61 ASP H 1.0 . 3.36 186 179 A 47 ASP H A 52 GLU HA 1.0 . 4.87 187 180 A 109 GLU H A 110 THR HG2% 1.0 . 5.79 188 181 A 60 THR H A 59 LEU HA 1.0 . 3.16 189 182 A 109 GLU H A 109 GLU HGx 1.0 . 5.50 190 183 A 60 THR H A 59 LEU HB2 1.0 . 4.64 191 184 A 98 TYR H A 47 ASP H 1.0 . 6.27 192 185 A 60 THR H A 59 LEU HD1% 1.0 . 5.66 193 186 A 64 TYR HD% A 87 ILE H 1.0 . 4.55 194 187 A 43 VAL HB A 44 GLU H 1.0 . 4.92 195 188 A 94 VAL HB A 44 GLU H 1.0 . 5.42 196 189 A 44 GLU H A 44 GLU HB2 1.0 . 4.12 197 190 A 123 SER H A 122 ASN HBx 1.0 . 6.11 198 191 A 87 ILE HD1% A 60 THR H 1.0 . 5.98 199 192 A 87 ILE H A 62 TYR HB2 1.0 . 6.41 200 193 A 95 ARG H A 44 GLU H 1.0 . 5.51 201 194 A 94 VAL HG1% A 44 GLU H 1.0 . 5.33 202 195 A 93 ILE HG2% A 44 GLU H 1.0 . 4.58 203 196 A 44 GLU H A 95 ARG HBx 1.0 . 5.38 204 196 A 44 GLU H A 95 ARG HBy 1.0 . 5.38 205 197 A 96 TYR HD% A 44 GLU H 1.0 . 5.89 206 198 A 44 GLU H A 43 VAL HA 1.0 . 3.07 207 199 A 87 ILE H A 87 ILE HG12 1.0 . 4.23 208 200 A 39 PHE H A 37 ASN HBy 1.0 . 5.50 209 201 A 39 PHE H A 37 ASN HBx 1.0 . 5.50 210 202 A 46 VAL H A 96 TYR HB2 1.0 . 5.28 211 203 A 46 VAL H A 97 ILE HA 1.0 . 4.61 212 204 A 46 VAL H A 45 TYR HB2 1.0 . 5.39 213 205 A 76 LEU H A 77 ARG H 1.0 . 5.94 214 206 A 46 VAL H A 95 ARG HA 1.0 . 5.88 215 207 A 98 TYR HE% A 46 VAL H 1.0 . 4.63 216 208 A 96 TYR H A 46 VAL H 1.0 . 4.88 217 209 A 87 ILE HD1% A 39 PHE H 1.0 . 5.77 218 210 A 108 ASP HA A 110 THR H 1.0 . 5.36 219 211 A 96 TYR HB3 A 46 VAL H 1.0 . 6.11 220 212 A 39 PHE H A 39 PHE HB2 1.0 . 3.65 221 213 A 40 THR HG2% A 39 PHE H 1.0 . 4.86 222 214 A 46 VAL H A 45 TYR HA 1.0 . 3.30 223 215 A 98 TYR HD% A 46 VAL H 1.0 . 4.60 224 216 A 62 TYR H A 61 ASP HB2 1.0 . 4.48 225 217 A 58 THR H A 59 LEU HD2% 1.0 . 5.35 226 218 A 56 SER H A 57 ASP H 1.0 . 5.35 227 219 A 39 PHE H A 38 ASN HBy 1.0 . 4.88 228 220 A 41 VAL HG2% A 87 ILE H 1.0 . 5.46 229 221 A 90 THR HG2% A 91 GLY H 1.0 . 4.37 230 222 A 36 THR HA A 38 ASN H 1.0 . 5.50 231 223 A 38 ASN H A 36 THR HB 1.0 . 5.50 232 224 A 82 ASN HD22 A 94 VAL HA 1.0 . 4.15 233 225 A 95 ARG HE A 44 GLU HB3 1.0 . 6.48 234 226 A 46 VAL HG2% A 95 ARG HE 1.0 . 5.13 235 227 A 94 VAL HG1% A 82 ASN HD22 1.0 . 5.50 236 228 A 110 THR H A 109 GLU HBy 1.0 . 5.28 237 229 A 87 ILE H A 63 HIS HBx 1.0 . 5.50 238 229 A 87 ILE H A 63 HIS HBy 1.0 . 5.50 239 230 A 71 ILE HD1% A 46 VAL H 1.0 . 5.92 240 231 A 124 GLU HGy A 125 ALA H 1.0 . 5.50 241 232 A 125 ALA H A 124 GLU HGx 1.0 . 5.50 242 233 A 87 ILE H A 62 TYR HB3 1.0 . 6.33 243 234 A 39 PHE H A 37 ASN HA 1.0 . 5.36 244 235 A 102 ILE H A 103 ASP HA 1.0 . 6.30 245 236 A 64 TYR H A 87 ILE HG13 1.0 . 5.92 246 237 A 64 TYR H A 63 HIS HA 1.0 . 3.31 247 238 A 113 ASP H A 114 LEU HD1% 1.0 . 5.50 248 239 A 113 ASP H A 114 LEU HD2% 1.0 . 5.50 249 240 A 86 ASN HA A 87 ILE H 1.0 . 3.55 250 241 A 110 THR H A 109 GLU HGy 1.0 . 5.50 251 242 A 110 THR H A 109 GLU HGx 1.0 . 5.50 252 243 A 87 ILE H A 63 HIS HA 1.0 . 5.39 253 244 A 103 ASP H A 104 VAL H 1.0 . 4.40 254 245 A 104 VAL H A 105 SER H 1.0 . 3.84 255 246 A 104 VAL H A 105 SER HBx 1.0 . 6.19 256 246 A 104 VAL H A 105 SER HBy 1.0 . 6.19 257 247 A 104 VAL HA A 106 TYR H 1.0 . 5.54 258 248 A 92 ILE HD1% A 87 ILE H 1.0 . 6.29 259 249 A 106 TYR H A 104 VAL HB 1.0 . 6.37 260 250 A 122 ASN H A 120 ILE HG2% 1.0 . 5.50 261 251 A 125 ALA H A 124 GLU HBy 1.0 . 5.04 262 252 A 99 ASP H A 77 ARG HA 1.0 . 6.39 263 253 A 64 TYR H A 86 ASN HA 1.0 . 4.37 264 254 A 99 ASP H A 74 TYR HB3 1.0 . 5.01 265 255 A 64 TYR H A 65 VAL H 1.0 . 5.37 266 256 A 76 LEU HB2 A 99 ASP H 1.0 . 6.45 267 257 A 98 TYR H A 97 ILE HG1y 1.0 . 5.77 268 258 A 64 TYR H A 87 ILE H 1.0 . 5.26 269 259 A 53 ILE HG2% A 54 ALA H 1.0 . 4.51 270 260 A 96 TYR H A 97 ILE HD1% 1.0 . 5.50 271 261 A 94 VAL H A 44 GLU H 1.0 . 4.30 272 262 A 87 ILE H A 62 TYR HD% 1.0 . 4.53 273 263 A 64 TYR H A 64 TYR HD% 1.0 . 3.97 274 264 A 105 SER H A 104 VAL HG1% 1.0 . 4.55 275 265 A 64 TYR H A 63 HIS HD2 1.0 . 5.68 276 266 A 88 THR H A 89 ASP HA 1.0 . 6.25 277 267 A 87 ILE HD1% A 64 TYR H 1.0 . 5.50 278 268 A 99 ASP H A 77 ARG HB3 1.0 . 5.50 279 269 A 80 PRO HA A 82 ASN H 1.0 . 5.47 280 270 A 54 ALA H A 53 ILE HD1% 1.0 . 5.18 281 271 A 99 ASP H A 98 TYR HA 1.0 . 3.17 282 272 A 83 ALA H A 80 PRO HA 1.0 . 6.23 283 273 A 101 ILE H A 99 ASP H 1.0 . 6.26 284 274 A 77 ARG HE A 77 ARG HB3 1.0 . 4.59 285 275 A 78 GLU H A 79 ILE HA 1.0 . 5.50 286 276 A 39 PHE H A 38 ASN HBx 1.0 . 4.88 287 277 A 99 ASP H A 76 LEU HA 1.0 . 4.66 288 278 A 74 TYR H A 100 LYS HA 1.0 . 5.74 289 279 A 101 ILE HG12 A 74 TYR H 1.0 . 5.68 290 280 A 99 ASP H A 98 TYR HB3 1.0 . 4.28 291 281 A 128 LEU HG A 129 GLU H 1.0 . 5.50 292 282 A 61 ASP HB2 A 63 HIS H 1.0 . 4.85 293 283 A 99 ASP H A 76 LEU HD1% 1.0 . 5.55 294 284 A 46 VAL HG1% A 54 ALA H 1.0 . 5.68 295 285 A 53 ILE H A 52 GLU HG3 1.0 . 5.11 296 286 A 98 TYR HD% A 99 ASP H 1.0 . 5.54 297 287 A 44 GLU HB2 A 45 TYR H 1.0 . 4.85 298 288 A 100 LYS H A 99 ASP H 1.0 . 5.14 299 289 A 43 VAL H A 57 ASP HB2 1.0 . 5.42 300 290 A 99 ASP H A 75 LYS HB2 1.0 . 5.12 301 291 A 43 VAL H A 42 LYS HG3 1.0 . 4.48 302 292 A 129 GLU H A 129 GLU HGx 1.0 . 5.50 303 293 A 99 ASP H A 97 ILE HG2% 1.0 . 6.02 304 294 A 43 VAL H A 43 VAL HG1% 1.0 . 4.73 305 295 A 46 VAL HA A 45 TYR H 1.0 . 6.22 306 296 A 74 TYR HD% A 73 GLY H 1.0 . 5.88 307 297 A 101 ILE HG12 A 73 GLY H 1.0 . 6.28 308 298 A 43 VAL H A 42 LYS H 1.0 . 5.26 309 299 A 52 GLU HA A 45 TYR H 1.0 . 5.82 310 300 A 74 TYR H A 73 GLY H 1.0 . 3.78 311 301 A 43 VAL H A 56 SER HBx 1.0 . 5.13 312 301 A 43 VAL H A 56 SER HBy 1.0 . 5.13 313 302 A 45 TYR H A 45 TYR HD% 1.0 . 4.68 314 303 A 101 ILE HB A 73 GLY H 1.0 . 6.30 315 304 A 43 VAL H A 43 VAL HG2% 1.0 . 3.64 316 305 A 45 TYR H A 52 GLU HBx 1.0 . 5.50 317 305 A 52 GLU HBy A 45 TYR H 1.0 . 5.50 318 306 A 67 THR H A 68 PRO HD3 1.0 . 5.85 319 307 A 66 SER H A 67 THR H 1.0 . 5.50 320 308 A 67 THR H A 68 PRO HD2 1.0 . 5.43 321 309 A 67 THR H A 66 SER HA 1.0 . 3.16 322 310 A 54 ALA H A 52 GLU HG2 1.0 . 4.68 323 311 A 43 VAL H A 42 LYS HG2 1.0 . 4.48 324 312 A 45 TYR H A 44 GLU HG2 1.0 . 4.93 325 313 A 43 VAL H A 57 ASP HB3 1.0 . 5.75 326 314 A 106 TYR HA A 107 VAL H 1.0 . 3.11 327 315 A 43 VAL H A 93 ILE HG2% 1.0 . 5.93 328 316 A 46 VAL HG1% A 45 TYR H 1.0 . 4.82 329 317 A 108 ASP H A 107 VAL H 1.0 . 4.52 330 318 A 77 ARG H A 98 TYR HA 1.0 . 4.01 331 319 A 76 LEU HD2% A 79 ILE H 1.0 . 5.23 332 320 A 79 ILE H A 80 PRO HD2 1.0 . 5.50 333 321 A 79 ILE H A 79 ILE HG1y 1.0 . 4.04 334 322 A 58 THR H A 57 ASP H 1.0 . 5.16 335 323 A 79 ILE H A 79 ILE HB 1.0 . 3.41 336 324 A 113 ASP H A 111 GLY HAx 1.0 . 5.97 337 324 A 113 ASP H A 111 GLY HAy 1.0 . 5.97 338 325 A 58 THR H A 42 LYS HA 1.0 . 5.50 339 326 A 58 THR H A 59 LEU HA 1.0 . 5.50 340 327 A 79 ILE H A 80 PRO HD3 1.0 . 5.82 341 328 A 119 GLU H A 118 VAL HGx% 1.0 . 4.26 342 328 A 119 GLU H A 118 VAL HGy% 1.0 . 4.26 343 329 A 79 ILE H A 79 ILE HG2% 1.0 . 4.29 344 330 A 119 GLU H A 119 GLU HGy 1.0 . 5.50 345 331 A 51 ALA HA A 52 GLU H 1.0 . 3.03 346 332 A 69 LYS H A 68 PRO HA 1.0 . 3.43 347 333 A 46 VAL HG1% A 47 ASP H 1.0 . 3.97 348 334 A 51 ALA HB% A 52 GLU H 1.0 . 3.41 349 335 A 46 VAL HA A 52 GLU H 1.0 . 5.69 350 336 A 114 LEU H A 114 LEU HD1% 1.0 . 5.50 351 337 A 53 ILE HG2% A 52 GLU H 1.0 . 5.68 352 338 A 96 TYR H A 45 TYR HA 1.0 . 4.57 353 339 A 115 LEU H A 115 LEU HD1% 1.0 . 5.27 354 340 A 115 LEU H A 115 LEU HD2% 1.0 . 5.50 355 341 A 121 ILE H A 120 ILE HB 1.0 . 4.55 356 342 A 121 ILE H A 120 ILE HG2% 1.0 . 4.17 357 343 A 82 ASN HD22 A 95 ARG H 1.0 . 5.04 358 344 A 96 TYR H A 44 GLU HB2 1.0 . 5.35 359 345 A 96 TYR H A 95 ARG HBx 1.0 . 4.43 360 345 A 96 TYR H A 95 ARG HBy 1.0 . 4.43 361 346 A 96 TYR H A 93 ILE HG2% 1.0 . 5.60 362 347 A 76 LEU HD1% A 96 TYR H 1.0 . 5.28 363 348 A 119 GLU H A 118 VAL HB 1.0 . 4.82 364 349 A 85 GLY H A 64 TYR HA 1.0 . 5.81 365 350 A 92 ILE H A 92 ILE HG12 1.0 . 4.69 366 351 A 85 GLY H A 64 TYR H 1.0 . 5.07 367 352 A 85 GLY H A 86 ASN H 1.0 . 4.75 368 353 A 86 ASN HA A 86 ASN HD2y 1.0 . 5.98 369 354 A 85 GLY H A 65 VAL HG2% 1.0 . 5.46 370 355 A 85 GLY H A 63 HIS HA 1.0 . 6.18 371 356 A 113 ASP H A 112 LYS HGx 1.0 . 5.50 372 357 A 113 ASP H A 112 LYS HGy 1.0 . 5.50 373 358 A 69 LYS H A 45 TYR HD% 1.0 . 4.89 374 359 A 74 TYR H A 71 ILE H 1.0 . 5.53 375 360 A 113 ASP H A 114 LEU HBx 1.0 . 5.50 376 360 A 113 ASP H A 114 LEU HBy 1.0 . 5.50 377 361 A 113 ASP H A 114 LEU HG 1.0 . 5.50 378 362 A 125 ALA H A 124 GLU H 1.0 . 4.58 379 363 A 53 ILE H A 45 TYR HB2 1.0 . 5.62 380 364 A 114 LEU H A 113 ASP HBx 1.0 . 5.35 381 365 A 49 ASP H A 50 GLY HA2 1.0 . 4.60 382 366 A 108 ASP H A 107 VAL HA 1.0 . 3.15 383 367 A 99 ASP H A 77 ARG H 1.0 . 4.70 384 368 A 76 LEU HD2% A 77 ARG H 1.0 . 4.85 385 369 A 53 ILE H A 45 TYR HB3 1.0 . 5.87 386 370 A 43 VAL H A 42 LYS HBx 1.0 . 4.47 387 370 A 43 VAL H A 42 LYS HBy 1.0 . 4.47 388 371 A 49 ASP H A 49 ASP HB2 1.0 . 3.56 389 372 A 43 VAL H A 57 ASP HA 1.0 . 6.21 390 373 A 87 ILE H A 63 HIS H 1.0 . 5.96 391 374 A 43 VAL H A 43 VAL HB 1.0 . 3.91 392 375 A 43 VAL HG2% A 57 ASP H 1.0 . 5.13 393 376 A 44 GLU H A 42 LYS HG2 1.0 . 5.90 394 377 A 83 ALA H A 81 HIS HBx 1.0 . 6.14 395 377 A 83 ALA H A 81 HIS HBy 1.0 . 6.14 396 378 A 83 ALA H A 96 TYR HE% 1.0 . 6.01 397 379 A 113 ASP H A 112 LYS H 1.0 . 4.59 398 380 A 91 GLY H A 39 PHE HD% 1.0 . 6.48 399 381 A 112 LYS H A 112 LYS HGx 1.0 . 5.50 400 382 A 98 TYR HE% A 97 ILE H 1.0 . 6.09 401 383 A 114 LEU HD2% A 112 LYS H 1.0 . 6.02 402 384 A 94 VAL H A 93 ILE HB 1.0 . 4.81 403 385 A 94 VAL HB A 94 VAL H 1.0 . 3.83 404 386 A 94 VAL HG2% A 94 VAL H 1.0 . 3.70 405 387 A 40 THR HG2% A 38 ASN HD2y 1.0 . 6.18 406 388 A 120 ILE HG2% A 122 ASN HD2x 1.0 . 6.44 407 389 A 41 VAL HA A 94 VAL H 1.0 . 6.21 408 390 A 93 ILE H A 94 VAL H 1.0 . 5.50 409 391 A 63 HIS H A 62 TYR HE% 1.0 . 5.62 410 392 A 64 TYR H A 65 VAL HG2% 1.0 . 5.71 411 393 A 74 TYR H A 101 ILE HG13 1.0 . 5.82 412 394 A 64 TYR HA A 63 HIS H 1.0 . 5.77 413 395 A 118 VAL H A 118 VAL HGx% 1.0 . 3.89 414 395 A 118 VAL HGy% A 118 VAL H 1.0 . 3.89 415 396 A 63 HIS H A 63 HIS HBx 1.0 . 3.67 416 396 A 63 HIS HBy A 63 HIS H 1.0 . 3.67 417 397 A 62 TYR HB3 A 63 HIS H 1.0 . 3.68 418 398 A 75 LYS H A 100 LYS HA 1.0 . 4.80 419 399 A 92 ILE HG13 A 91 GLY H 1.0 . 6.09 420 400 A 106 TYR H A 105 SER HBx 1.0 . 4.33 421 400 A 105 SER HBy A 106 TYR H 1.0 . 4.33 422 401 A 63 HIS H A 61 ASP HA 1.0 . 5.26 423 402 A 92 ILE H A 91 GLY H 1.0 . 4.31 424 403 A 75 LYS H A 99 ASP H 1.0 . 4.11 425 404 A 50 GLY H A 47 ASP H 1.0 . 4.73 426 405 A 51 ALA HB% A 47 ASP H 1.0 . 4.70 427 406 A 75 LYS H A 101 ILE HG12 1.0 . 4.90 428 407 A 75 LYS H A 53 ILE HD1% 1.0 . 6.31 429 408 A 125 ALA H A 124 GLU HBx 1.0 . 5.04 430 409 A 103 ASP HA A 105 SER H 1.0 . 4.99 431 410 A 105 SER H A 104 VAL HA 1.0 . 3.20 432 411 A 118 VAL H A 117 VAL HB 1.0 . 4.14 433 412 A 75 LYS H A 101 ILE HD1% 1.0 . 4.72 434 413 A 127 VAL HB A 128 LEU H 1.0 . 4.67 435 414 A 128 LEU H A 127 VAL HA 1.0 . 3.52 436 415 A 104 VAL H A 104 VAL HG2% 1.0 . 3.48 437 416 A 43 VAL HG1% A 67 THR H 1.0 . 4.65 438 417 A 67 THR H A 66 SER HBy 1.0 . 4.50 439 418 A 41 VAL HG2% A 41 VAL H 1.0 . 4.10 440 419 A 128 LEU H A 127 VAL HG1% 1.0 . 5.01 441 420 A 56 SER H A 56 SER HBx 1.0 . 3.58 442 420 A 56 SER H A 56 SER HBy 1.0 . 3.58 443 421 A 61 ASP HB3 A 62 TYR H 1.0 . 4.15 444 422 A 62 TYR H A 87 ILE HG13 1.0 . 6.50 445 423 A 54 ALA H A 52 GLU H 1.0 . 5.90 446 424 A 53 ILE H A 52 GLU H 1.0 . 5.09 447 425 A 49 ASP HB3 A 50 GLY H 1.0 . 5.17 448 426 A 94 VAL H A 93 ILE HA 1.0 . 3.15 449 427 A 71 ILE H A 72 PRO HDy 1.0 . 5.88 450 428 A 71 ILE H A 70 ASP HBx 1.0 . 5.25 451 429 A 106 TYR H A 104 VAL HG1% 1.0 . 5.50 452 430 A 106 TYR H A 107 VAL HGx% 1.0 . 5.50 453 430 A 107 VAL HGy% A 106 TYR H 1.0 . 5.50 454 431 A 94 VAL H A 42 LYS HBx 1.0 . 5.00 455 431 A 94 VAL H A 42 LYS HBy 1.0 . 5.00 456 432 A 71 ILE H A 70 ASP HA 1.0 . 3.15 457 433 A 51 ALA HB% A 50 GLY H 1.0 . 5.30 458 434 A 49 ASP HB2 A 50 GLY H 1.0 . 4.76 459 435 A 105 SER H A 106 TYR H 1.0 . 4.40 460 436 A 87 ILE HD1% A 88 THR H 1.0 . 6.14 461 437 A 92 ILE HD1% A 88 THR H 1.0 . 3.93 462 438 A 88 THR H A 87 ILE HA 1.0 . 3.45 463 439 A 71 ILE HG2% A 71 ILE H 1.0 . 4.87 464 440 A 87 ILE HG12 A 88 THR H 1.0 . 5.50 465 441 A 71 ILE HB A 71 ILE H 1.0 . 3.84 466 442 A 90 THR H A 89 ASP HBy 1.0 . 4.26 467 443 A 91 GLY H A 90 THR H 1.0 . 4.72 468 444 A 88 THR H A 87 ILE HB 1.0 . 6.08 469 445 A 71 ILE H A 70 ASP HBy 1.0 . 5.25 470 446 A 74 TYR HB2 A 71 ILE H 1.0 . 5.50 471 447 A 41 VAL HG2% A 89 ASP H 1.0 . 5.90 472 448 A 87 ILE HG12 A 89 ASP H 1.0 . 5.50 473 449 A 88 THR H A 87 ILE HG2% 1.0 . 4.59 474 450 A 71 ILE H A 98 TYR HH 1.0 . 5.41 475 451 A 39 PHE HD% A 90 THR H 1.0 . 5.89 476 452 A 87 ILE H A 88 THR H 1.0 . 5.61 477 453 A 101 ILE HG2% A 102 ILE H 1.0 . 3.75 478 454 A 89 ASP H A 87 ILE HG2% 1.0 . 4.20 479 455 A 66 SER H A 84 THR HA 1.0 . 4.58 480 456 A 64 TYR HD% A 66 SER H 1.0 . 4.65 481 457 A 87 ILE HA A 89 ASP H 1.0 . 4.65 482 458 A 94 VAL HG1% A 66 SER H 1.0 . 5.50 483 459 A 94 VAL HG2% A 66 SER H 1.0 . 5.50 484 460 A 92 ILE HD1% A 90 THR H 1.0 . 6.08 485 461 A 102 ILE H A 100 LYS HBx 1.0 . 5.37 486 461 A 100 LYS HBy A 102 ILE H 1.0 . 5.37 487 462 A 92 ILE HD1% A 89 ASP H 1.0 . 3.59 488 463 A 89 ASP H A 88 THR HG2% 1.0 . 5.18 489 464 A 39 PHE HD% A 89 ASP H 1.0 . 5.23 490 465 A 90 THR H A 90 THR HB 1.0 . 4.15 491 466 A 65 VAL HB A 66 SER H 1.0 . 5.26 492 467 A 102 ILE H A 102 ILE HG1x 1.0 . 4.31 493 468 A 126 ALA HA A 127 VAL H 1.0 . 3.49 494 469 A 88 THR H A 62 TYR HE% 1.0 . 6.15 495 470 A 51 ALA H A 50 GLY H 1.0 . 3.61 496 471 A 46 VAL HG2% A 50 GLY H 1.0 . 4.91 497 472 A 90 THR H A 89 ASP H 1.0 . 4.73 498 473 A 62 TYR H A 63 HIS H 1.0 . 3.88 499 474 A 62 TYR H A 87 ILE HB 1.0 . 6.50 500 475 A 87 ILE HD1% A 62 TYR H 1.0 . 5.32 501 476 A 104 VAL H A 103 ASP HBy 1.0 . 4.67 502 477 A 104 VAL H A 103 ASP HBx 1.0 . 4.67 503 478 A 57 ASP H A 45 TYR HD% 1.0 . 5.34 504 479 A 90 THR HG2% A 90 THR H 1.0 . 3.57 505 480 A 43 VAL HG1% A 57 ASP H 1.0 . 5.10 506 481 A 56 SER H A 55 PRO HGy 1.0 . 5.53 507 482 A 57 ASP H A 57 ASP HB2 1.0 . 4.08 508 483 A 58 THR H A 43 VAL HB 1.0 . 6.16 509 484 A 57 ASP H A 58 THR HA 1.0 . 5.94 510 485 A 56 SER H A 55 PRO HA 1.0 . 2.97 511 486 A 43 VAL HB A 57 ASP H 1.0 . 4.03 512 487 A 58 THR H A 57 ASP HA 1.0 . 3.07 513 488 A 107 VAL H A 105 SER HA 1.0 . 5.97 514 489 A 40 THR H A 39 PHE HB2 1.0 . 4.69 515 490 A 106 TYR H A 107 VAL H 1.0 . 4.19 516 491 A 40 THR HB A 41 VAL H 1.0 . 3.64 517 492 A 41 VAL HG1% A 42 LYS H 1.0 . 3.87 518 493 A 41 VAL H A 41 VAL HB 1.0 . 3.75 519 494 A 41 VAL H A 59 LEU HB2 1.0 . 4.51 520 495 A 60 THR HA A 41 VAL H 1.0 . 4.94 521 496 A 41 VAL H A 40 THR H 1.0 . 5.46 522 497 A 42 LYS H A 42 LYS HG2 1.0 . 5.79 523 498 A 74 TYR HB2 A 73 GLY H 1.0 . 6.32 524 499 A 87 ILE HD1% A 41 VAL H 1.0 . 4.21 525 500 A 129 GLU H A 127 VAL HG1% 1.0 . 5.50 526 501 A 129 GLU H A 128 LEU HD1% 1.0 . 5.50 527 502 A 41 VAL H A 59 LEU HB3 1.0 . 5.26 528 503 A 105 SER H A 104 VAL HB 1.0 . 4.56 529 504 A 42 LYS H A 92 ILE HG2% 1.0 . 5.39 530 505 A 42 LYS H A 94 VAL HG2% 1.0 . 5.50 531 506 A 105 SER H A 106 TYR HD% 1.0 . 6.36 532 507 A 42 LYS H A 92 ILE HB 1.0 . 5.40 533 508 A 75 LYS H A 101 ILE HA 1.0 . 5.84 534 509 A 75 LYS H A 76 LEU HA 1.0 . 6.09 535 510 A 75 LYS H A 98 TYR HB3 1.0 . 4.55 536 511 A 42 LYS H A 42 LYS HG3 1.0 . 5.45 537 512 A 40 THR H A 39 PHE H 1.0 . 4.85 538 513 A 42 LYS H A 93 ILE HG12 1.0 . 5.06 539 514 A 100 LYS H A 75 LYS H 1.0 . 6.36 540 515 A 41 VAL H A 42 LYS H 1.0 . 5.37 541 516 A 75 LYS H A 74 TYR HD% 1.0 . 4.71 542 517 A 42 LYS H A 93 ILE HA 1.0 . 4.36 543 518 A 40 THR H A 91 GLY H 1.0 . 5.50 544 519 A 98 TYR HD% A 75 LYS H 1.0 . 5.40 545 520 A 75 LYS H A 74 TYR HB3 1.0 . 4.17 546 521 A 47 ASP H A 46 VAL H 1.0 . 5.34 547 522 A 42 LYS H A 94 VAL H 1.0 . 4.86 548 523 A 75 LYS H A 75 LYS HGx 1.0 . 5.08 549 524 A 46 VAL H A 53 ILE HG1x 1.0 . 5.55 550 524 A 46 VAL H A 53 ILE HG1y 1.0 . 5.55 551 525 A 52 GLU HA A 46 VAL H 1.0 . 6.19 552 526 A 44 GLU H A 44 GLU HG2 1.0 . 4.87 553 527 A 87 ILE HD1% A 40 THR H 1.0 . 5.69 554 528 A 40 THR H A 39 PHE HD% 1.0 . 5.08 555 529 A 110 THR H A 109 GLU HBx 1.0 . 5.28 556 530 A 40 THR H A 39 PHE HA 1.0 . 3.09 557 531 A 94 VAL HA A 44 GLU H 1.0 . 5.81 558 532 A 110 THR HG2% A 111 GLY H 1.0 . 5.32 559 533 A 110 THR HG2% A 110 THR H 1.0 . 4.09 560 534 A 109 GLU H A 110 THR H 1.0 . 4.05 561 535 A 112 LYS H A 111 GLY H 1.0 . 4.40 562 536 A 48 ALA H A 47 ASP HBx 1.0 . 3.90 563 537 A 82 ASN H A 83 ALA HA 1.0 . 4.95 564 538 A 48 ALA H A 97 ILE HG2% 1.0 . 4.86 565 539 A 54 ALA H A 54 ALA HB% 1.0 . 3.84 566 540 A 48 ALA H A 53 ILE HD1% 1.0 . 6.00 567 541 A 54 ALA H A 45 TYR H 1.0 . 5.49 568 542 A 48 ALA H A 47 ASP H 1.0 . 5.13 569 543 A 48 ALA H A 47 ASP HBy 1.0 . 3.90 570 544 A 53 ILE H A 45 TYR H 1.0 . 5.50 571 545 A 53 ILE H A 46 VAL H 1.0 . 5.50 572 546 A 49 ASP H A 46 VAL HB 1.0 . 5.85 573 547 A 39 PHE H A 39 PHE HE% 1.0 . 5.59 574 548 A 82 ASN H A 80 PRO HG3 1.0 . 5.50 575 549 A 59 LEU HD1% A 65 VAL H 1.0 . 4.12 576 550 A 74 TYR HE% A 48 ALA H 1.0 . 5.08 577 551 A 48 ALA H A 53 ILE HG2% 1.0 . 5.50 578 552 A 77 ARG H A 77 ARG HB3 1.0 . 4.08 579 553 A 48 ALA H A 50 GLY H 1.0 . 5.10 580 554 A 99 ASP HA A 48 ALA H 1.0 . 4.74 581 555 A 48 ALA H A 98 TYR H 1.0 . 5.89 582 556 A 48 ALA H A 46 VAL HG2% 1.0 . 6.03 583 557 A 83 ALA H A 82 ASN H 1.0 . 3.94 584 558 A 82 ASN H A 81 HIS H 1.0 . 5.92 585 559 A 80 PRO HG2 A 82 ASN H 1.0 . 5.67 586 560 A 53 ILE H A 71 ILE HD1% 1.0 . 5.90 587 561 A 83 ALA H A 80 PRO HB2 1.0 . 4.47 588 562 A 84 THR H A 83 ALA H 1.0 . 3.83 589 563 A 84 THR HG2% A 83 ALA H 1.0 . 5.59 590 564 A 69 LYS H A 98 TYR HH 1.0 . 3.36 591 565 A 92 ILE H A 92 ILE HG2% 1.0 . 4.89 592 566 A 69 LYS H A 70 ASP HA 1.0 . 6.00 593 567 A 82 ASN H A 81 HIS HBx 1.0 . 4.79 594 567 A 82 ASN H A 81 HIS HBy 1.0 . 4.79 595 568 A 82 ASN HD21 A 95 ARG H 1.0 . 6.06 596 569 A 46 VAL HA A 47 ASP H 1.0 . 3.32 597 570 A 96 TYR H A 95 ARG HA 1.0 . 3.24 598 571 A 96 TYR H A 96 TYR HB2 1.0 . 3.94 599 572 A 95 ARG H A 95 ARG HBx 1.0 . 3.65 600 572 A 95 ARG H A 95 ARG HBy 1.0 . 3.65 601 573 A 93 ILE H A 93 ILE HD1% 1.0 . 5.10 602 574 A 101 ILE HD1% A 75 LYS HA 1.0 . 4.19 603 575 A 93 ILE HD1% A 93 ILE HA 1.0 . 5.19 604 576 A 96 TYR HA A 80 PRO HG3 1.0 . 4.41 605 577 A 107 VAL HB A 107 VAL H 1.0 . 3.85 606 578 A 54 ALA HA A 55 PRO HDx 1.0 . 3.53 607 579 A 42 LYS H A 42 LYS HBx 1.0 . 3.64 608 579 A 42 LYS H A 42 LYS HBy 1.0 . 3.64 609 580 A 42 LYS HE3 A 42 LYS HBx 1.0 . 5.58 610 580 A 42 LYS HBy A 42 LYS HE3 1.0 . 5.58 611 581 A 94 VAL HG2% A 94 VAL HA 1.0 . 3.63 612 582 A 93 ILE HG12 A 93 ILE HG2% 1.0 . 3.70 613 583 A 65 VAL HA A 65 VAL HG1% 1.0 . 3.71 614 584 A 62 TYR HD% A 62 TYR HA 1.0 . 3.59 615 585 A 64 TYR HD% A 62 TYR HA 1.0 . 5.50 616 586 A 94 VAL HG2% A 43 VAL HA 1.0 . 5.03 617 587 A 94 VAL HG2% A 93 ILE HA 1.0 . 5.48 618 588 A 43 VAL H A 94 VAL HG2% 1.0 . 5.50 619 589 A 94 VAL HG2% A 44 GLU H 1.0 . 5.50 620 590 A 76 LEU H A 76 LEU HG 1.0 . 4.65 621 591 A 127 VAL H A 127 VAL HG2% 1.0 . 4.04 622 592 A 101 ILE H A 101 ILE HG2% 1.0 . 4.56 623 593 A 101 ILE HG2% A 104 VAL H 1.0 . 5.35 624 594 A 101 ILE HG2% A 101 ILE HG13 1.0 . 3.69 625 595 A 101 ILE HA A 101 ILE HG2% 1.0 . 3.47 626 596 A 79 ILE H A 79 ILE HD1% 1.0 . 4.42 627 597 A 79 ILE HD1% A 68 PRO HG3 1.0 . 3.86 628 598 A 79 ILE HB A 79 ILE HD1% 1.0 . 4.22 629 599 A 71 ILE HD1% A 71 ILE H 1.0 . 4.50 630 600 A 71 ILE HD1% A 53 ILE HG1x 1.0 . 4.10 631 600 A 71 ILE HD1% A 53 ILE HG1y 1.0 . 4.10 632 601 A 71 ILE HG2% A 71 ILE HD1% 1.0 . 3.07 633 602 A 71 ILE HD1% A 71 ILE HB 1.0 . 3.47 634 603 A 71 ILE HD1% A 71 ILE HA 1.0 . 4.58 635 604 A 71 ILE HB A 74 TYR HB3 1.0 . 4.81 636 605 A 76 LEU H A 76 LEU HD1% 1.0 . 4.81 637 606 A 76 LEU HD1% A 98 TYR HH 1.0 . 5.50 638 607 A 76 LEU HD1% A 76 LEU HB3 1.0 . 3.83 639 608 A 83 ALA H A 83 ALA HB% 1.0 . 3.26 640 609 A 124 GLU HGy A 124 GLU H 1.0 . 5.50 641 610 A 100 LYS HGx A 100 LYS HEx 1.0 . 3.77 642 610 A 100 LYS HEy A 100 LYS HGx 1.0 . 3.77 643 611 A 100 LYS HA A 100 LYS HEx 1.0 . 5.35 644 611 A 100 LYS HEy A 100 LYS HA 1.0 . 5.35 645 612 A 100 LYS HEy A 100 LYS HGy 1.0 . 3.77 646 612 A 100 LYS HEx A 100 LYS HGy 1.0 . 3.77 647 613 A 75 LYS HB2 A 75 LYS HEx 1.0 . 5.62 648 613 A 75 LYS HB2 A 75 LYS HEy 1.0 . 5.62 649 614 A 75 LYS H A 75 LYS HB2 1.0 . 4.14 650 615 A 92 ILE HD1% A 92 ILE HB 1.0 . 3.60 651 616 A 92 ILE HD1% A 92 ILE HA 1.0 . 4.36 652 617 A 79 ILE H A 79 ILE HG1x 1.0 . 4.04 653 618 A 103 ASP H A 103 ASP HBy 1.0 . 3.99 654 619 A 49 ASP H A 47 ASP HBx 1.0 . 5.40 655 620 A 42 LYS HA A 42 LYS HDx 1.0 . 5.34 656 621 A 97 ILE H A 97 ILE HB 1.0 . 3.63 657 622 A 41 VAL HG1% A 41 VAL HA 1.0 . 3.85 658 623 A 41 VAL HG2% A 41 VAL HA 1.0 . 3.69 659 624 A 42 LYS H A 41 VAL HA 1.0 . 3.13 660 625 A 77 ARG HE A 77 ARG HB2 1.0 . 4.94 661 626 A 100 LYS H A 100 LYS HGx 1.0 . 5.06 662 627 A 116 PRO HA A 117 VAL H 1.0 . 3.05 663 628 A 53 ILE H A 53 ILE HD1% 1.0 . 4.54 664 629 A 53 ILE HD1% A 53 ILE HA 1.0 . 4.97 665 630 A 71 ILE HG2% A 53 ILE HD1% 1.0 . 3.92 666 631 A 53 ILE HD1% A 53 ILE HB 1.0 . 3.73 667 632 A 92 ILE H A 92 ILE HB 1.0 . 3.95 668 633 A 69 LYS HB2 A 69 LYS HEx 1.0 . 5.52 669 634 A 69 LYS HB2 A 69 LYS HEy 1.0 . 5.52 670 635 A 69 LYS HB2 A 69 LYS H 1.0 . 3.78 671 636 A 102 ILE HB A 102 ILE H 1.0 . 3.64 672 637 A 69 LYS HB3 A 69 LYS HEx 1.0 . 5.27 673 638 A 53 ILE H A 53 ILE HG1x 1.0 . 3.54 674 638 A 53 ILE H A 53 ILE HG1y 1.0 . 3.54 675 639 A 53 ILE HG2% A 53 ILE HG1x 1.0 . 4.09 676 639 A 53 ILE HG2% A 53 ILE HG1y 1.0 . 4.09 677 640 A 114 LEU H A 114 LEU HG 1.0 . 4.35 678 641 A 97 ILE H A 97 ILE HG1y 1.0 . 4.59 679 642 A 69 LYS HA A 70 ASP HBx 1.0 . 5.49 680 643 A 69 LYS HA A 70 ASP HBy 1.0 . 5.19 681 644 A 88 THR HG2% A 88 THR HA 1.0 . 3.44 682 645 A 88 THR H A 88 THR HG2% 1.0 . 3.64 683 646 A 67 THR HA A 67 THR HG2% 1.0 . 3.59 684 647 A 67 THR H A 67 THR HG2% 1.0 . 4.37 685 648 A 48 ALA H A 48 ALA HB% 1.0 . 3.24 686 649 A 52 GLU HG3 A 52 GLU H 1.0 . 4.29 687 650 A 97 ILE H A 97 ILE HG2% 1.0 . 4.54 688 651 A 97 ILE HG2% A 97 ILE HA 1.0 . 3.69 689 652 A 87 ILE HG12 A 87 ILE HG2% 1.0 . 4.22 690 653 A 87 ILE HG12 A 87 ILE HA 1.0 . 4.20 691 654 A 69 LYS HGx A 69 LYS HEx 1.0 . 4.21 692 655 A 69 LYS H A 69 LYS HGx 1.0 . 5.06 693 656 A 105 SER H A 105 SER HBx 1.0 . 3.67 694 656 A 105 SER H A 105 SER HBy 1.0 . 3.67 695 657 A 46 VAL HG1% A 46 VAL H 1.0 . 4.13 696 658 A 46 VAL HA A 46 VAL HG1% 1.0 . 3.39 697 659 A 115 LEU HD2% A 115 LEU HA 1.0 . 3.80 698 660 A 58 THR HB A 58 THR H 1.0 . 3.44 699 661 A 95 ARG H A 95 ARG HDx 1.0 . 5.59 700 661 A 95 ARG H A 95 ARG HDy 1.0 . 5.59 701 662 A 95 ARG HA A 95 ARG HDx 1.0 . 5.42 702 662 A 95 ARG HA A 95 ARG HDy 1.0 . 5.42 703 663 A 129 GLU H A 129 GLU HBx 1.0 . 3.73 704 663 A 129 GLU H A 129 GLU HBy 1.0 . 3.73 705 664 A 87 ILE H A 87 ILE HG2% 1.0 . 4.64 706 665 A 87 ILE HA A 87 ILE HG2% 1.0 . 3.51 707 666 A 87 ILE HD1% A 87 ILE HG2% 1.0 . 3.10 708 667 A 75 LYS HA A 75 LYS HEx 1.0 . 5.59 709 667 A 75 LYS HA A 75 LYS HEy 1.0 . 5.59 710 668 A 75 LYS HB3 A 75 LYS HEx 1.0 . 4.57 711 668 A 75 LYS HEy A 75 LYS HB3 1.0 . 4.57 712 669 A 75 LYS HEy A 75 LYS HGx 1.0 . 3.89 713 669 A 75 LYS HGx A 75 LYS HEx 1.0 . 3.89 714 670 A 114 LEU H A 113 ASP HA 1.0 . 3.46 715 671 A 52 GLU H A 52 GLU HBx 1.0 . 3.22 716 671 A 52 GLU HBy A 52 GLU H 1.0 . 3.22 717 672 A 75 LYS HA A 75 LYS HDy 1.0 . 5.56 718 673 A 75 LYS H A 75 LYS HDy 1.0 . 6.26 719 674 A 109 GLU H A 108 ASP HA 1.0 . 3.35 720 675 A 59 LEU H A 59 LEU HD2% 1.0 . 4.36 721 676 A 94 VAL HB A 43 VAL HA 1.0 . 3.78 722 677 A 43 VAL HG1% A 43 VAL HA 1.0 . 3.32 723 678 A 41 VAL HG1% A 41 VAL H 1.0 . 5.02 724 679 A 104 VAL H A 104 VAL HG1% 1.0 . 4.29 725 680 A 107 VAL HA A 107 VAL HGx% 1.0 . 3.41 726 680 A 107 VAL HGy% A 107 VAL HA 1.0 . 3.41 727 681 A 80 PRO HD3 A 79 ILE HA 1.0 . 3.47 728 682 A 75 LYS HEx A 75 LYS HGy 1.0 . 3.89 729 682 A 75 LYS HEy A 75 LYS HGy 1.0 . 3.89 730 683 A 75 LYS H A 75 LYS HGy 1.0 . 5.08 731 684 A 106 TYR H A 106 TYR HBx 1.0 . 4.11 732 685 A 74 TYR HB3 A 100 LYS HA 1.0 . 5.04 733 686 A 101 ILE H A 100 LYS HA 1.0 . 3.24 734 687 A 102 ILE H A 102 ILE HG1y 1.0 . 4.31 735 688 A 59 LEU HD2% A 59 LEU HB3 1.0 . 3.36 736 689 A 76 LEU HB2 A 76 LEU HD1% 1.0 . 3.57 737 690 A 76 LEU HB2 A 76 LEU HD2% 1.0 . 3.80 738 691 A 63 HIS HD2 A 63 HIS HBx 1.0 . 3.88 739 691 A 63 HIS HBy A 63 HIS HD2 1.0 . 3.88 740 692 A 104 VAL H A 104 VAL HB 1.0 . 3.87 741 693 A 54 ALA HA A 55 PRO HDy 1.0 . 3.53 742 694 A 44 GLU HB2 A 95 ARG HA 1.0 . 5.46 743 695 A 36 THR HA A 36 THR HG2% 1.0 . 3.68 744 696 A 59 LEU HA A 59 LEU HD2% 1.0 . 3.48 745 697 A 84 THR HG2% A 84 THR HA 1.0 . 3.61 746 698 A 85 GLY H A 84 THR HA 1.0 . 3.24 747 699 A 127 VAL HA A 127 VAL HG1% 1.0 . 3.99 748 700 A 66 SER H A 65 VAL HG1% 1.0 . 4.16 749 701 A 101 ILE HG2% A 101 ILE HG12 1.0 . 3.55 750 702 A 101 ILE HA A 101 ILE HG12 1.0 . 3.85 751 703 A 120 ILE H A 120 ILE HG1x 1.0 . 4.41 752 704 A 121 ILE H A 121 ILE HG1x 1.0 . 4.49 753 705 A 76 LEU HA A 76 LEU HD1% 1.0 . 3.16 754 706 A 93 ILE HG13 A 93 ILE HG2% 1.0 . 3.80 755 707 A 45 TYR H A 44 GLU HA 1.0 . 3.32 756 708 A 127 VAL HB A 127 VAL H 1.0 . 3.88 757 709 A 71 ILE HG2% A 71 ILE HG1x 1.0 . 3.84 758 710 A 93 ILE HG12 A 93 ILE HA 1.0 . 4.11 759 711 A 100 LYS H A 100 LYS HDx 1.0 . 5.82 760 712 A 100 LYS HA A 100 LYS HDx 1.0 . 5.17 761 713 A 119 GLU H A 119 GLU HGx 1.0 . 5.50 762 714 A 75 LYS H A 75 LYS HB3 1.0 . 3.95 763 715 A 79 ILE HG2% A 79 ILE HG1y 1.0 . 3.53 764 716 A 71 ILE HG2% A 71 ILE HA 1.0 . 3.53 765 717 A 42 LYS HA A 42 LYS HDy 1.0 . 5.34 766 718 A 118 VAL H A 117 VAL HA 1.0 . 2.99 767 719 A 100 LYS H A 100 LYS HGy 1.0 . 5.06 768 720 A 118 VAL HA A 118 VAL HGx% 1.0 . 3.66 769 720 A 118 VAL HA A 118 VAL HGy% 1.0 . 3.66 770 721 A 114 LEU H A 114 LEU HD2% 1.0 . 5.50 771 722 A 42 LYS HG3 A 42 LYS HA 1.0 . 4.12 772 723 A 87 ILE HD1% A 87 ILE HA 1.0 . 4.75 773 724 A 82 ASN HB3 A 82 ASN H 1.0 . 4.16 774 725 A 69 LYS HB3 A 69 LYS HEy 1.0 . 5.27 775 726 A 69 LYS HGx A 69 LYS HEy 1.0 . 4.21 776 727 A 69 LYS HEy A 69 LYS HGy 1.0 . 4.21 777 728 A 112 LYS H A 112 LYS HGy 1.0 . 5.50 778 729 A 97 ILE H A 97 ILE HD1% 1.0 . 4.30 779 730 A 97 ILE HA A 97 ILE HD1% 1.0 . 4.28 780 731 A 53 ILE HG2% A 53 ILE HA 1.0 . 3.26 781 732 A 52 GLU HG2 A 52 GLU H 1.0 . 3.57 782 733 A 115 LEU H A 115 LEU HG 1.0 . 4.55 783 734 A 112 LYS HA A 112 LYS HDx 1.0 . 4.68 784 734 A 112 LYS HA A 112 LYS HDy 1.0 . 4.68 785 735 A 87 ILE H A 87 ILE HG13 1.0 . 3.74 786 736 A 87 ILE HG13 A 87 ILE HG2% 1.0 . 4.11 787 737 A 69 LYS HEx A 69 LYS HGy 1.0 . 4.21 788 738 A 69 LYS H A 69 LYS HGy 1.0 . 5.06 789 739 A 65 VAL H A 65 VAL HG1% 1.0 . 4.92 790 740 A 109 GLU H A 107 VAL HGx% 1.0 . 5.38 791 740 A 107 VAL HGy% A 109 GLU H 1.0 . 5.38 792 741 A 46 VAL HG2% A 46 VAL H 1.0 . 3.52 793 742 A 46 VAL HG2% A 46 VAL HA 1.0 . 4.18 794 743 A 65 VAL H A 64 TYR HBx 1.0 . 4.55 795 744 A 99 ASP H A 99 ASP HBx 1.0 . 4.10 796 745 A 66 SER H A 65 VAL HA 1.0 . 3.21 797 746 A 107 VAL H A 107 VAL HGx% 1.0 . 3.71 798 746 A 107 VAL HGy% A 107 VAL H 1.0 . 3.71 799 747 A 100 LYS H A 100 LYS HBx 1.0 . 3.25 800 747 A 100 LYS H A 100 LYS HBy 1.0 . 3.25 801 748 A 100 LYS HBx A 100 LYS HEx 1.0 . 4.16 802 748 A 100 LYS HBy A 100 LYS HEx 1.0 . 4.16 803 748 A 100 LYS HEy A 100 LYS HBx 1.0 . 4.16 804 748 A 100 LYS HEy A 100 LYS HBy 1.0 . 4.16 805 749 A 58 THR HA A 58 THR HG2% 1.0 . 3.34 806 750 A 58 THR H A 58 THR HG2% 1.0 . 4.41 807 751 A 45 TYR HA A 45 TYR HD% 1.0 . 4.56 808 752 A 115 LEU H A 114 LEU HD1% 1.0 . 5.50 809 753 A 128 LEU H A 128 LEU HD1% 1.0 . 5.50 810 754 A 128 LEU HD1% A 128 LEU HA 1.0 . 4.69 811 755 A 104 VAL HA A 104 VAL HG2% 1.0 . 3.94 812 756 A 80 PRO HG2 A 83 ALA HB% 1.0 . 3.49 813 757 A 76 LEU HD2% A 79 ILE HA 1.0 . 4.56 814 758 A 106 TYR H A 106 TYR HBy 1.0 . 4.11 815 759 A 44 GLU H A 44 GLU HG3 1.0 . 5.11 816 760 A 102 ILE HB A 102 ILE HD1% 1.0 . 4.21 817 761 A 102 ILE HA A 102 ILE HD1% 1.0 . 4.10 818 762 A 121 ILE HA A 121 ILE HD1% 1.0 . 4.83 819 763 A 102 ILE H A 102 ILE HD1% 1.0 . 5.02 820 764 A 121 ILE H A 121 ILE HD1% 1.0 . 5.50 821 765 A 59 LEU H A 59 LEU HB2 1.0 . 3.84 822 766 A 40 THR HG2% A 40 THR H 1.0 . 4.11 823 767 A 40 THR HG2% A 40 THR HA 1.0 . 3.51 824 768 A 101 ILE HA A 101 ILE HD1% 1.0 . 4.13 825 769 A 129 GLU H A 128 LEU HA 1.0 . 3.54 826 770 A 76 LEU H A 76 LEU HB3 1.0 . 3.66 827 771 A 93 ILE H A 93 ILE HG2% 1.0 . 4.67 828 772 A 93 ILE HG2% A 93 ILE HA 1.0 . 3.36 829 773 A 94 VAL HG1% A 43 VAL HG1% 1.0 . 3.61 830 774 A 43 VAL HG1% A 94 VAL HB 1.0 . 4.29 831 775 A 43 VAL HG1% A 44 GLU H 1.0 . 3.76 832 776 A 43 VAL H A 42 LYS HA 1.0 . 3.14 833 777 A 36 THR HG2% A 36 THR H 1.0 . 4.65 834 778 A 96 TYR HD% A 68 PRO HBy 1.0 . 5.50 835 779 A 101 ILE H A 101 ILE HG13 1.0 . 3.90 836 780 A 121 ILE H A 121 ILE HG1y 1.0 . 4.49 837 781 A 62 TYR H A 62 TYR HB2 1.0 . 3.51 838 782 A 76 LEU HD2% A 76 LEU HA 1.0 . 4.28 839 783 A 93 ILE HD1% A 93 ILE HB 1.0 . 3.70 840 784 A 93 ILE H A 93 ILE HB 1.0 . 3.84 841 785 A 89 ASP H A 88 THR HB 1.0 . 5.50 842 786 A 124 GLU HGx A 124 GLU H 1.0 . 5.50 843 787 A 121 ILE H A 121 ILE HG2% 1.0 . 4.88 844 788 A 102 ILE HA A 102 ILE HG2% 1.0 . 3.68 845 789 A 62 TYR H A 62 TYR HB3 1.0 . 3.62 846 790 A 92 ILE HG13 A 92 ILE HA 1.0 . 4.14 847 791 A 79 ILE HG2% A 79 ILE HG1x 1.0 . 3.53 848 792 A 79 ILE HA A 79 ILE HG2% 1.0 . 3.52 849 793 A 71 ILE HG2% A 71 ILE HG1y 1.0 . 3.84 850 794 A 61 ASP H A 61 ASP HB2 1.0 . 3.68 851 795 A 122 ASN H A 121 ILE HG2% 1.0 . 5.50 852 796 A 100 LYS H A 100 LYS HDy 1.0 . 5.82 853 797 A 100 LYS HA A 100 LYS HDy 1.0 . 5.17 854 798 A 92 ILE HG2% A 92 ILE HD1% 1.0 . 2.99 855 799 A 92 ILE HG2% A 94 VAL H 1.0 . 5.50 856 800 A 92 ILE HG2% A 92 ILE HG13 1.0 . 3.81 857 801 A 49 ASP H A 49 ASP HB3 1.0 . 4.13 858 802 A 122 ASN H A 121 ILE HB 1.0 . 5.03 859 803 A 87 ILE H A 87 ILE HB 1.0 . 4.00 860 804 A 87 ILE HD1% A 87 ILE HB 1.0 . 3.61 861 805 A 40 THR H A 39 PHE HB3 1.0 . 4.14 862 806 A 101 ILE HA A 101 ILE HG13 1.0 . 4.19 863 807 A 125 ALA H A 125 ALA HB% 1.0 . 3.69 864 808 A 126 ALA H A 126 ALA HB% 1.0 . 3.69 865 809 A 127 VAL H A 126 ALA HB% 1.0 . 4.33 866 810 A 65 VAL HG2% A 65 VAL HA 1.0 . 3.88 867 811 A 79 ILE HA A 79 ILE HD1% 1.0 . 3.77 868 812 A 114 LEU H A 114 LEU HBx 1.0 . 3.91 869 812 A 114 LEU H A 114 LEU HBy 1.0 . 3.91 870 813 A 53 ILE HG2% A 53 ILE HD1% 1.0 . 3.26 871 814 A 53 ILE HG2% A 53 ILE H 1.0 . 3.76 872 815 A 92 ILE HG12 A 92 ILE HA 1.0 . 4.20 873 816 A 92 ILE HG2% A 92 ILE HA 1.0 . 3.65 874 817 A 97 ILE H A 97 ILE HG1x 1.0 . 4.59 875 818 A 91 GLY H A 90 THR HA 1.0 . 3.44 876 819 A 122 ASN H A 121 ILE HA 1.0 . 3.47 877 820 A 121 ILE H A 120 ILE HA 1.0 . 3.17 878 821 A 101 ILE HD1% A 101 ILE HB 1.0 . 4.09 879 822 A 101 ILE H A 101 ILE HB 1.0 . 3.60 880 823 A 87 ILE HD1% A 87 ILE H 1.0 . 4.48 881 824 A 67 THR H A 67 THR HB 1.0 . 4.09 882 825 A 115 LEU HD1% A 115 LEU HA 1.0 . 4.21 883 826 A 60 THR HA A 40 THR HG2% 1.0 . 3.35 884 827 A 65 VAL H A 65 VAL HG2% 1.0 . 4.04 885 828 A 95 ARG HBx A 95 ARG HDx 1.0 . 3.40 886 828 A 95 ARG HBy A 95 ARG HDx 1.0 . 3.40 887 828 A 95 ARG HDy A 95 ARG HBx 1.0 . 3.40 888 828 A 95 ARG HBy A 95 ARG HDy 1.0 . 3.40 889 829 A 95 ARG HE A 95 ARG HBx 1.0 . 4.57 890 829 A 95 ARG HE A 95 ARG HBy 1.0 . 4.57 891 830 A 95 ARG HBx A 95 ARG HGx 1.0 . 2.79 892 830 A 95 ARG HGy A 95 ARG HBx 1.0 . 2.79 893 830 A 95 ARG HGy A 95 ARG HBy 1.0 . 2.79 894 830 A 95 ARG HBy A 95 ARG HGx 1.0 . 2.79 895 831 A 117 VAL H A 117 VAL HGx% 1.0 . 3.87 896 831 A 117 VAL H A 117 VAL HGy% 1.0 . 3.87 897 832 A 117 VAL HA A 117 VAL HGx% 1.0 . 3.71 898 832 A 117 VAL HA A 117 VAL HGy% 1.0 . 3.71 899 833 A 83 ALA H A 81 HIS HA 1.0 . 4.82 900 834 A 110 THR HG2% A 110 THR HA 1.0 . 3.67 901 835 A 95 ARG HA A 95 ARG HGx 1.0 . 3.97 902 835 A 95 ARG HGy A 95 ARG HA 1.0 . 3.97 903 836 A 75 LYS HA A 75 LYS HDx 1.0 . 5.56 904 837 A 75 LYS H A 75 LYS HDx 1.0 . 6.26 905 838 A 52 GLU HA A 52 GLU HG3 1.0 . 4.04 906 839 A 53 ILE H A 52 GLU HA 1.0 . 3.32 907 840 A 60 THR H A 60 THR HG2% 1.0 . 3.76 908 841 A 60 THR HA A 60 THR HG2% 1.0 . 3.34 909 842 A 59 LEU H A 59 LEU HD1% 1.0 . 5.03 910 843 A 59 LEU HD1% A 59 LEU HB3 1.0 . 3.72 911 844 A 59 LEU HD1% A 59 LEU HB2 1.0 . 3.79 912 845 A 115 LEU H A 115 LEU HB2 1.0 . 3.56 913 846 A 99 ASP H A 99 ASP HBy 1.0 . 4.10 914 847 A 46 VAL H A 45 TYR HB3 1.0 . 4.96 915 848 A 129 GLU H A 129 GLU HGy 1.0 . 5.50 916 849 A 109 GLU H A 109 GLU HGy 1.0 . 5.50 917 850 A 94 VAL HG1% A 94 VAL HA 1.0 . 3.72 918 851 A 94 VAL HG1% A 94 VAL H 1.0 . 4.80 919 852 A 80 PRO HD2 A 83 ALA HB% 1.0 . 3.72 920 853 A 80 PRO HD2 A 79 ILE HA 1.0 . 3.45 921 854 A 117 VAL HB A 117 VAL H 1.0 . 3.72 922 855 A 115 LEU H A 114 LEU HD2% 1.0 . 5.50 923 856 A 128 LEU H A 128 LEU HD2% 1.0 . 5.50 924 857 A 114 LEU HA A 114 LEU HD2% 1.0 . 3.93 925 858 A 128 LEU HA A 128 LEU HD2% 1.0 . 4.03 926 859 A 36 THR HB A 37 ASN H 1.0 . 5.38 927 860 A 39 PHE HD% A 37 ASN HBx 1.0 . 5.50 928 861 A 41 VAL H A 40 THR HA 1.0 . 3.29 929 862 A 41 VAL HG2% A 40 THR HB 1.0 . 5.81 930 863 A 40 THR HB A 87 ILE HD1% 1.0 . 5.24 931 864 A 40 THR HB A 41 VAL HB 1.0 . 5.17 932 865 A 40 THR HB A 59 LEU HB2 1.0 . 5.74 933 866 A 40 THR HB A 58 THR HA 1.0 . 5.26 934 867 A 87 ILE HD1% A 41 VAL HA 1.0 . 5.33 935 868 A 94 VAL HG2% A 41 VAL HA 1.0 . 5.50 936 869 A 41 VAL HA A 42 LYS HBx 1.0 . 4.57 937 869 A 41 VAL HA A 42 LYS HBy 1.0 . 4.57 938 870 A 41 VAL HA A 42 LYS HA 1.0 . 5.39 939 871 A 41 VAL HA A 93 ILE HA 1.0 . 5.50 940 872 A 94 VAL HG2% A 41 VAL HB 1.0 . 5.50 941 873 A 59 LEU HD1% A 41 VAL HB 1.0 . 4.40 942 874 A 43 VAL HG2% A 41 VAL HB 1.0 . 4.88 943 875 A 59 LEU HB2 A 41 VAL HB 1.0 . 3.62 944 876 A 41 VAL HB A 40 THR HA 1.0 . 5.13 945 877 A 42 LYS H A 41 VAL HB 1.0 . 5.53 946 878 A 59 LEU H A 41 VAL HB 1.0 . 4.56 947 879 A 41 VAL HG1% A 42 LYS HBx 1.0 . 5.10 948 879 A 41 VAL HG1% A 42 LYS HBy 1.0 . 5.10 949 880 A 93 ILE HD1% A 42 LYS HBx 1.0 . 4.67 950 880 A 93 ILE HD1% A 42 LYS HBy 1.0 . 4.67 951 881 A 93 ILE HG12 A 42 LYS HBx 1.0 . 4.24 952 881 A 93 ILE HG12 A 42 LYS HBy 1.0 . 4.24 953 882 A 42 LYS HBx A 56 SER HBx 1.0 . 5.83 954 882 A 42 LYS HBy A 56 SER HBx 1.0 . 5.83 955 882 A 56 SER HBy A 42 LYS HBx 1.0 . 5.83 956 882 A 56 SER HBy A 42 LYS HBy 1.0 . 5.83 957 883 A 43 VAL HB A 57 ASP HB2 1.0 . 3.90 958 884 A 43 VAL HB A 57 ASP HB3 1.0 . 4.09 959 885 A 43 VAL HB A 57 ASP HA 1.0 . 5.86 960 886 A 94 VAL HB A 96 TYR HE% 1.0 . 4.26 961 887 A 46 VAL HG1% A 44 GLU HB3 1.0 . 4.19 962 888 A 44 GLU HB3 A 45 TYR H 1.0 . 4.52 963 889 A 46 VAL HG1% A 44 GLU HB2 1.0 . 3.93 964 890 A 44 GLU HB2 A 95 ARG HDx 1.0 . 5.75 965 890 A 44 GLU HB2 A 95 ARG HDy 1.0 . 5.75 966 891 A 95 ARG HE A 44 GLU HB2 1.0 . 5.89 967 892 A 46 VAL HG2% A 45 TYR HA 1.0 . 4.83 968 893 A 96 TYR HB2 A 45 TYR HA 1.0 . 4.34 969 894 A 53 ILE HD1% A 45 TYR HB3 1.0 . 5.98 970 895 A 71 ILE HD1% A 45 TYR HB3 1.0 . 3.98 971 896 A 54 ALA H A 45 TYR HB3 1.0 . 4.88 972 897 A 71 ILE HD1% A 45 TYR HB2 1.0 . 4.36 973 898 A 45 TYR HB2 A 53 ILE HG1x 1.0 . 5.31 974 898 A 45 TYR HB2 A 53 ILE HG1y 1.0 . 5.31 975 899 A 45 TYR HB2 A 54 ALA HB% 1.0 . 3.65 976 900 A 54 ALA H A 45 TYR HB2 1.0 . 4.38 977 901 A 46 VAL HA A 53 ILE HD1% 1.0 . 5.15 978 902 A 53 ILE HG2% A 46 VAL HA 1.0 . 4.19 979 903 A 51 ALA HB% A 46 VAL HA 1.0 . 5.50 980 904 A 46 VAL HA A 95 ARG HGx 1.0 . 5.50 981 904 A 46 VAL HA A 95 ARG HGy 1.0 . 5.50 982 905 A 46 VAL HA A 45 TYR HB3 1.0 . 5.50 983 906 A 46 VAL HA A 54 ALA H 1.0 . 5.06 984 907 A 46 VAL HA A 50 GLY H 1.0 . 5.69 985 908 A 46 VAL HB A 50 GLY HA2 1.0 . 4.28 986 909 A 46 VAL HB A 50 GLY HA3 1.0 . 4.70 987 910 A 46 VAL HB A 52 GLU HA 1.0 . 5.71 988 911 A 46 VAL HB A 50 GLY H 1.0 . 4.88 989 912 A 46 VAL HB A 47 ASP H 1.0 . 3.33 990 913 A 97 ILE HG2% A 47 ASP HA 1.0 . 4.76 991 914 A 46 VAL HG2% A 47 ASP HA 1.0 . 5.12 992 915 A 46 VAL HB A 47 ASP HA 1.0 . 5.87 993 916 A 48 ALA HA A 47 ASP HA 1.0 . 5.91 994 917 A 97 ILE HA A 47 ASP HA 1.0 . 5.16 995 918 A 74 TYR HE% A 47 ASP HA 1.0 . 4.54 996 919 A 49 ASP H A 47 ASP HA 1.0 . 5.42 997 920 A 98 TYR H A 47 ASP HA 1.0 . 4.03 998 921 A 53 ILE HD1% A 47 ASP HBy 1.0 . 4.92 999 922 A 53 ILE HG2% A 47 ASP HBy 1.0 . 4.12 1000 923 A 74 TYR HE% A 47 ASP HBy 1.0 . 3.91 1001 924 A 53 ILE HD1% A 47 ASP HBx 1.0 . 4.92 1002 925 A 48 ALA HA A 97 ILE HG2% 1.0 . 3.61 1003 926 A 48 ALA HA A 77 ARG HH1% 1.0 . 5.73 1004 927 A 48 ALA HA A 50 GLY H 1.0 . 5.21 1005 928 A 48 ALA HA A 47 ASP H 1.0 . 5.80 1006 929 A 51 ALA H A 48 ALA HA 1.0 . 5.80 1007 930 A 97 ILE HG2% A 48 ALA HB% 1.0 . 3.71 1008 931 A 49 ASP HB2 A 48 ALA HB% 1.0 . 5.62 1009 932 A 48 ALA HB% A 49 ASP HA 1.0 . 5.57 1010 933 A 99 ASP HA A 48 ALA HB% 1.0 . 4.38 1011 934 A 48 ALA HB% A 47 ASP HA 1.0 . 4.99 1012 935 A 48 ALA HB% A 77 ARG HH1% 1.0 . 4.71 1013 936 A 48 ALA HB% A 77 ARG HH2% 1.0 . 5.10 1014 937 A 49 ASP H A 48 ALA HB% 1.0 . 4.02 1015 938 A 50 GLY H A 48 ALA HB% 1.0 . 5.28 1016 939 A 100 LYS H A 48 ALA HB% 1.0 . 5.28 1017 940 A 51 ALA HA A 52 GLU HBx 1.0 . 4.88 1018 940 A 52 GLU HBy A 51 ALA HA 1.0 . 4.88 1019 941 A 53 ILE HG2% A 51 ALA HB% 1.0 . 4.23 1020 942 A 52 GLU HA A 53 ILE HG1x 1.0 . 4.74 1021 942 A 52 GLU HA A 53 ILE HG1y 1.0 . 4.74 1022 943 A 53 ILE HG2% A 52 GLU HA 1.0 . 4.28 1023 944 A 46 VAL HA A 52 GLU HA 1.0 . 3.81 1024 945 A 52 GLU HBx A 53 ILE HG1x 1.0 . 5.81 1025 945 A 53 ILE HG1y A 52 GLU HBx 1.0 . 5.81 1026 945 A 52 GLU HBy A 53 ILE HG1y 1.0 . 5.81 1027 945 A 52 GLU HBy A 53 ILE HG1x 1.0 . 5.81 1028 946 A 46 VAL HG1% A 52 GLU HBx 1.0 . 3.96 1029 946 A 46 VAL HG1% A 52 GLU HBy 1.0 . 3.96 1030 947 A 51 ALA HB% A 52 GLU HBx 1.0 . 4.98 1031 947 A 51 ALA HB% A 52 GLU HBy 1.0 . 4.98 1032 948 A 53 ILE HA A 52 GLU HBx 1.0 . 5.50 1033 948 A 52 GLU HBy A 53 ILE HA 1.0 . 5.50 1034 949 A 46 VAL HA A 52 GLU HBx 1.0 . 5.18 1035 949 A 46 VAL HA A 52 GLU HBy 1.0 . 5.18 1036 950 A 54 ALA H A 52 GLU HBx 1.0 . 4.16 1037 950 A 52 GLU HBy A 54 ALA H 1.0 . 4.16 1038 951 A 71 ILE HD1% A 53 ILE HB 1.0 . 4.75 1039 952 A 74 TYR HB2 A 53 ILE HB 1.0 . 5.50 1040 953 A 46 VAL HA A 53 ILE HB 1.0 . 5.91 1041 954 A 74 TYR HD% A 53 ILE HB 1.0 . 5.26 1042 955 A 74 TYR HE% A 53 ILE HB 1.0 . 5.50 1043 956 A 54 ALA H A 53 ILE HB 1.0 . 4.97 1044 957 A 45 TYR HD% A 56 SER HA 1.0 . 4.41 1045 958 A 57 ASP H A 56 SER HA 1.0 . 3.33 1046 959 A 56 SER HBy A 42 LYS HDx 1.0 . 5.50 1047 959 A 42 LYS HDx A 56 SER HBx 1.0 . 5.50 1048 960 A 44 GLU HB2 A 56 SER HBx 1.0 . 5.39 1049 960 A 44 GLU HB2 A 56 SER HBy 1.0 . 5.39 1050 961 A 44 GLU HB3 A 56 SER HBx 1.0 . 5.55 1051 961 A 44 GLU HB3 A 56 SER HBy 1.0 . 5.55 1052 962 A 44 GLU HG2 A 56 SER HBx 1.0 . 4.97 1053 962 A 56 SER HBy A 44 GLU HG2 1.0 . 4.97 1054 963 A 42 LYS HE2 A 56 SER HBx 1.0 . 4.50 1055 963 A 56 SER HBy A 42 LYS HE2 1.0 . 4.50 1056 964 A 42 LYS HE3 A 56 SER HBx 1.0 . 4.45 1057 964 A 56 SER HBy A 42 LYS HE3 1.0 . 4.45 1058 965 A 55 PRO HA A 56 SER HBx 1.0 . 5.41 1059 965 A 56 SER HBy A 55 PRO HA 1.0 . 5.41 1060 966 A 45 TYR HD% A 56 SER HBx 1.0 . 5.63 1061 966 A 56 SER HBy A 45 TYR HD% 1.0 . 5.63 1062 967 A 57 ASP H A 56 SER HBx 1.0 . 3.83 1063 967 A 57 ASP H A 56 SER HBy 1.0 . 3.83 1064 968 A 45 TYR H A 56 SER HBx 1.0 . 5.28 1065 968 A 45 TYR H A 56 SER HBy 1.0 . 5.28 1066 969 A 59 LEU HD2% A 57 ASP HB3 1.0 . 4.52 1067 970 A 43 VAL HG1% A 57 ASP HB3 1.0 . 5.50 1068 971 A 59 LEU HG A 57 ASP HB3 1.0 . 5.95 1069 972 A 57 ASP HB3 A 42 LYS HA 1.0 . 5.50 1070 973 A 59 LEU HA A 57 ASP HB3 1.0 . 5.70 1071 974 A 57 ASP HB3 A 45 TYR HE% 1.0 . 5.52 1072 975 A 58 THR H A 57 ASP HB3 1.0 . 3.79 1073 976 A 43 VAL HG1% A 57 ASP HB2 1.0 . 4.73 1074 977 A 43 VAL HA A 57 ASP HB2 1.0 . 5.50 1075 978 A 57 ASP HB2 A 42 LYS HA 1.0 . 5.50 1076 979 A 57 ASP HB2 A 45 TYR HE% 1.0 . 5.08 1077 980 A 58 THR H A 57 ASP HB2 1.0 . 4.42 1078 981 A 62 TYR H A 61 ASP HA 1.0 . 3.14 1079 982 A 61 ASP HB3 A 64 TYR HA 1.0 . 4.30 1080 983 A 61 ASP HB3 A 63 HIS H 1.0 . 4.34 1081 984 A 61 ASP HB3 A 65 VAL H 1.0 . 5.78 1082 985 A 64 TYR HA A 61 ASP HB2 1.0 . 4.52 1083 986 A 60 THR H A 61 ASP HB2 1.0 . 5.60 1084 987 A 65 VAL H A 61 ASP HB2 1.0 . 5.40 1085 988 A 87 ILE HD1% A 62 TYR HA 1.0 . 3.91 1086 989 A 87 ILE HG12 A 62 TYR HA 1.0 . 4.75 1087 990 A 87 ILE HB A 62 TYR HA 1.0 . 4.08 1088 991 A 87 ILE HG13 A 62 TYR HA 1.0 . 4.16 1089 992 A 87 ILE H A 62 TYR HA 1.0 . 4.51 1090 993 A 62 TYR HB2 A 87 ILE HG13 1.0 . 5.61 1091 994 A 62 TYR HB2 A 61 ASP HA 1.0 . 5.42 1092 995 A 62 TYR HB2 A 63 HIS H 1.0 . 4.19 1093 996 A 62 TYR HB3 A 61 ASP HA 1.0 . 5.50 1094 997 A 86 ASN HA A 63 HIS HA 1.0 . 4.09 1095 998 A 64 TYR HD% A 63 HIS HA 1.0 . 5.50 1096 999 A 65 VAL HG2% A 63 HIS HBx 1.0 . 4.68 1097 999 A 63 HIS HBy A 65 VAL HG2% 1.0 . 4.68 1098 1000 A 62 TYR HD% A 63 HIS HBx 1.0 . 4.73 1099 1000 A 63 HIS HBy A 62 TYR HD% 1.0 . 4.73 1100 1001 A 64 TYR H A 63 HIS HBx 1.0 . 5.50 1101 1001 A 64 TYR H A 63 HIS HBy 1.0 . 5.50 1102 1002 A 59 LEU HD1% A 64 TYR HBy 1.0 . 4.35 1103 1003 A 65 VAL H A 64 TYR HBy 1.0 . 4.55 1104 1004 A 87 ILE HD1% A 64 TYR HBx 1.0 . 4.67 1105 1005 A 84 THR HG2% A 65 VAL HA 1.0 . 3.70 1106 1006 A 103 ASP HA A 104 VAL HA 1.0 . 5.12 1107 1007 A 64 TYR HA A 65 VAL HA 1.0 . 4.94 1108 1008 A 64 TYR HD% A 65 VAL HA 1.0 . 5.43 1109 1009 A 85 GLY H A 65 VAL HA 1.0 . 5.50 1110 1010 A 64 TYR HA A 65 VAL HB 1.0 . 5.05 1111 1011 A 59 LEU HD1% A 66 SER HA 1.0 . 3.77 1112 1012 A 43 VAL HG1% A 66 SER HA 1.0 . 4.90 1113 1013 A 59 LEU HD2% A 66 SER HA 1.0 . 5.50 1114 1014 A 94 VAL HG1% A 66 SER HBx 1.0 . 5.34 1115 1015 A 59 LEU HD1% A 66 SER HBx 1.0 . 4.25 1116 1016 A 96 TYR HE% A 66 SER HBx 1.0 . 4.27 1117 1017 A 67 THR H A 66 SER HBx 1.0 . 4.50 1118 1018 A 76 LEU HD1% A 68 PRO HA 1.0 . 5.46 1119 1019 A 76 LEU HB2 A 68 PRO HA 1.0 . 5.50 1120 1020 A 69 LYS HB2 A 68 PRO HA 1.0 . 5.05 1121 1021 A 76 LEU HD2% A 68 PRO HA 1.0 . 4.87 1122 1022 A 98 TYR HE% A 68 PRO HA 1.0 . 5.51 1123 1023 A 96 TYR HD% A 68 PRO HA 1.0 . 4.90 1124 1024 A 68 PRO HA A 98 TYR HH 1.0 . 4.41 1125 1025 A 96 TYR HE% A 68 PRO HBy 1.0 . 5.22 1126 1026 A 98 TYR HE% A 68 PRO HBy 1.0 . 5.50 1127 1027 A 98 TYR HH A 68 PRO HBy 1.0 . 5.50 1128 1028 A 76 LEU HD2% A 68 PRO HBx 1.0 . 4.18 1129 1029 A 96 TYR HE% A 68 PRO HBx 1.0 . 5.22 1130 1030 A 96 TYR HD% A 68 PRO HBx 1.0 . 5.50 1131 1031 A 98 TYR HH A 68 PRO HBx 1.0 . 5.50 1132 1032 A 70 ASP H A 69 LYS HA 1.0 . 3.48 1133 1033 A 69 LYS HB3 A 71 ILE HD1% 1.0 . 4.64 1134 1034 A 69 LYS HB3 A 98 TYR HH 1.0 . 5.24 1135 1035 A 69 LYS HB2 A 71 ILE HD1% 1.0 . 4.00 1136 1036 A 69 LYS HB2 A 45 TYR HE% 1.0 . 5.46 1137 1037 A 69 LYS HB2 A 45 TYR HD% 1.0 . 5.69 1138 1038 A 69 LYS HB2 A 98 TYR HH 1.0 . 4.88 1139 1039 A 69 LYS HB3 A 70 ASP HBy 1.0 . 5.95 1140 1040 A 69 LYS HB3 A 70 ASP HBx 1.0 . 5.95 1141 1041 A 69 LYS HB2 A 71 ILE HA 1.0 . 5.50 1142 1042 A 71 ILE HA A 72 PRO HGx 1.0 . 5.20 1143 1043 A 71 ILE HA A 72 PRO HGy 1.0 . 5.20 1144 1044 A 71 ILE HA A 72 PRO HDx 1.0 . 3.42 1145 1045 A 71 ILE HA A 72 PRO HDy 1.0 . 3.42 1146 1046 A 72 PRO HA A 73 GLY HA2 1.0 . 4.68 1147 1047 A 74 TYR H A 72 PRO HA 1.0 . 4.31 1148 1048 A 73 GLY H A 72 PRO HA 1.0 . 3.23 1149 1049 A 76 LEU HD1% A 68 PRO HBy 1.0 . 5.11 1150 1050 A 101 ILE HD1% A 73 GLY HA3 1.0 . 4.82 1151 1051 A 49 ASP HB3 A 50 GLY HA3 1.0 . 5.50 1152 1052 A 74 TYR HD% A 73 GLY HA3 1.0 . 4.66 1153 1053 A 101 ILE HD1% A 73 GLY HA2 1.0 . 4.41 1154 1054 A 74 TYR HD% A 73 GLY HA2 1.0 . 5.22 1155 1055 A 101 ILE HG13 A 74 TYR HA 1.0 . 4.47 1156 1056 A 75 LYS HB2 A 74 TYR HA 1.0 . 5.50 1157 1057 A 101 ILE H A 74 TYR HA 1.0 . 3.79 1158 1058 A 75 LYS H A 74 TYR HA 1.0 . 3.47 1159 1059 A 74 TYR HB2 A 71 ILE HD1% 1.0 . 5.67 1160 1060 A 74 TYR HB2 A 71 ILE HG2% 1.0 . 4.43 1161 1061 A 74 TYR HB2 A 71 ILE HB 1.0 . 4.06 1162 1062 A 98 TYR HD% A 74 TYR HB2 1.0 . 5.31 1163 1063 A 75 LYS H A 74 TYR HB2 1.0 . 4.81 1164 1064 A 53 ILE HD1% A 74 TYR HB3 1.0 . 4.42 1165 1065 A 71 ILE HG2% A 74 TYR HB3 1.0 . 4.98 1166 1066 A 76 LEU H A 75 LYS HA 1.0 . 3.17 1167 1067 A 101 ILE HG12 A 75 LYS HB3 1.0 . 4.95 1168 1068 A 101 ILE HG13 A 75 LYS HB3 1.0 . 5.13 1169 1069 A 75 LYS HB3 A 74 TYR HA 1.0 . 5.93 1170 1070 A 99 ASP H A 75 LYS HB3 1.0 . 5.50 1171 1071 A 76 LEU H A 75 LYS HB3 1.0 . 4.92 1172 1072 A 101 ILE HD1% A 75 LYS HB2 1.0 . 3.62 1173 1073 A 101 ILE HG12 A 75 LYS HB2 1.0 . 4.80 1174 1074 A 75 LYS HB2 A 101 ILE HG13 1.0 . 4.78 1175 1075 A 75 LYS HB2 A 99 ASP HBx 1.0 . 5.50 1176 1076 A 76 LEU H A 75 LYS HB2 1.0 . 4.81 1177 1077 A 76 LEU HA A 77 ARG HB3 1.0 . 5.46 1178 1078 A 98 TYR HB3 A 76 LEU HA 1.0 . 5.50 1179 1079 A 76 LEU HA A 98 TYR HA 1.0 . 3.94 1180 1080 A 98 TYR HD% A 76 LEU HA 1.0 . 4.74 1181 1081 A 76 LEU HA A 77 ARG H 1.0 . 3.53 1182 1082 A 75 LYS HA A 76 LEU HB3 1.0 . 4.93 1183 1083 A 78 GLU H A 76 LEU HB3 1.0 . 5.50 1184 1084 A 98 TYR HD% A 76 LEU HB3 1.0 . 5.50 1185 1085 A 98 TYR HE% A 76 LEU HB3 1.0 . 5.46 1186 1086 A 77 ARG H A 76 LEU HB3 1.0 . 5.56 1187 1087 A 76 LEU HB2 A 75 LYS HA 1.0 . 5.02 1188 1088 A 98 TYR HE% A 76 LEU HB2 1.0 . 4.47 1189 1089 A 76 LEU HB2 A 98 TYR HD% 1.0 . 4.91 1190 1090 A 76 LEU HB2 A 77 ARG H 1.0 . 5.62 1191 1091 A 78 GLU H A 77 ARG HB3 1.0 . 4.48 1192 1092 A 97 ILE HG2% A 77 ARG HB2 1.0 . 6.34 1193 1093 A 78 GLU H A 77 ARG HB2 1.0 . 4.68 1194 1094 A 76 LEU HD2% A 78 GLU HA 1.0 . 4.36 1195 1095 A 79 ILE H A 78 GLU HA 1.0 . 2.95 1196 1096 A 82 ASN HB3 A 81 HIS HBx 1.0 . 5.95 1197 1096 A 82 ASN HB3 A 81 HIS HBy 1.0 . 5.95 1198 1097 A 92 ILE HG2% A 82 ASN HB2 1.0 . 5.51 1199 1098 A 92 ILE HG2% A 82 ASN HB3 1.0 . 5.50 1200 1099 A 94 VAL HG2% A 82 ASN HB3 1.0 . 5.50 1201 1100 A 94 VAL HG1% A 83 ALA HA 1.0 . 3.42 1202 1101 A 80 PRO HG2 A 83 ALA HA 1.0 . 4.67 1203 1102 A 94 VAL HB A 83 ALA HA 1.0 . 5.77 1204 1103 A 80 PRO HD2 A 83 ALA HA 1.0 . 5.51 1205 1104 A 83 ALA HA A 64 TYR HE% 1.0 . 5.92 1206 1105 A 96 TYR HE% A 83 ALA HA 1.0 . 5.09 1207 1106 A 66 SER H A 83 ALA HA 1.0 . 5.41 1208 1107 A 79 ILE HG2% A 83 ALA HB% 1.0 . 3.06 1209 1108 A 84 THR HG2% A 83 ALA HB% 1.0 . 3.72 1210 1109 A 79 ILE HB A 83 ALA HB% 1.0 . 4.63 1211 1110 A 83 ALA HB% A 80 PRO HB3 1.0 . 5.39 1212 1111 A 80 PRO HD3 A 83 ALA HB% 1.0 . 4.27 1213 1112 A 83 ALA HB% A 81 HIS HA 1.0 . 5.33 1214 1113 A 84 THR HA A 83 ALA HB% 1.0 . 5.50 1215 1114 A 83 ALA HB% A 67 THR HA 1.0 . 5.50 1216 1115 A 82 ASN HA A 83 ALA HB% 1.0 . 5.50 1217 1116 A 96 TYR HE% A 83 ALA HB% 1.0 . 4.38 1218 1117 A 82 ASN H A 83 ALA HB% 1.0 . 4.81 1219 1118 A 84 THR H A 83 ALA HB% 1.0 . 3.69 1220 1119 A 66 SER H A 83 ALA HB% 1.0 . 5.12 1221 1120 A 65 VAL HG1% A 84 THR HB 1.0 . 4.84 1222 1121 A 65 VAL HG2% A 84 THR HB 1.0 . 5.23 1223 1122 A 83 ALA HB% A 84 THR HB 1.0 . 5.62 1224 1123 A 85 GLY H A 84 THR HB 1.0 . 3.87 1225 1124 A 66 SER H A 84 THR HB 1.0 . 5.42 1226 1125 A 86 ASN H A 85 GLY HAx 1.0 . 3.21 1227 1125 A 85 GLY HAy A 86 ASN H 1.0 . 3.21 1228 1126 A 86 ASN HA A 87 ILE HG12 1.0 . 6.10 1229 1127 A 86 ASN HA A 63 HIS HBx 1.0 . 5.50 1230 1127 A 86 ASN HA A 63 HIS HBy 1.0 . 5.50 1231 1128 A 86 ASN HA A 85 GLY HAx 1.0 . 5.57 1232 1128 A 85 GLY HAy A 86 ASN HA 1.0 . 5.57 1233 1129 A 86 ASN HA A 62 TYR HA 1.0 . 5.50 1234 1130 A 86 ASN HA A 87 ILE HA 1.0 . 5.50 1235 1131 A 86 ASN HA A 64 TYR HD% 1.0 . 5.02 1236 1132 A 88 THR HG2% A 86 ASN HBx 1.0 . 4.25 1237 1133 A 62 TYR HE% A 86 ASN HBx 1.0 . 5.00 1238 1134 A 41 VAL HG2% A 87 ILE HA 1.0 . 4.42 1239 1135 A 64 TYR HD% A 87 ILE HA 1.0 . 5.50 1240 1136 A 44 GLU HG2 A 42 LYS HE2 1.0 . 4.58 1241 1137 A 64 TYR HD% A 87 ILE HB 1.0 . 5.50 1242 1138 A 62 TYR HD% A 87 ILE HB 1.0 . 4.01 1243 1139 A 41 VAL HG1% A 59 LEU HB2 1.0 . 4.24 1244 1140 A 41 VAL HG2% A 59 LEU HB2 1.0 . 4.71 1245 1141 A 59 LEU HB2 A 58 THR HG2% 1.0 . 5.50 1246 1142 A 61 ASP H A 59 LEU HB2 1.0 . 4.84 1247 1143 A 41 VAL HG1% A 59 LEU HB3 1.0 . 5.50 1248 1144 A 87 ILE HD1% A 59 LEU HB3 1.0 . 5.20 1249 1145 A 59 LEU HB3 A 58 THR HG2% 1.0 . 5.50 1250 1146 A 60 THR HG2% A 59 LEU HB3 1.0 . 5.50 1251 1147 A 41 VAL HB A 59 LEU HB3 1.0 . 4.38 1252 1148 A 61 ASP H A 59 LEU HB3 1.0 . 4.41 1253 1149 A 60 THR H A 59 LEU HB3 1.0 . 4.31 1254 1150 A 90 THR HG2% A 91 GLY HAx 1.0 . 5.50 1255 1151 A 90 THR HG2% A 91 GLY HAy 1.0 . 5.50 1256 1152 A 93 ILE HD1% A 91 GLY HAy 1.0 . 5.50 1257 1153 A 41 VAL HG1% A 92 ILE HA 1.0 . 5.50 1258 1154 A 41 VAL HG2% A 92 ILE HA 1.0 . 5.50 1259 1155 A 93 ILE H A 92 ILE HA 1.0 . 3.07 1260 1156 A 41 VAL HG2% A 92 ILE HB 1.0 . 3.64 1261 1157 A 41 VAL HA A 92 ILE HB 1.0 . 4.75 1262 1158 A 93 ILE H A 92 ILE HB 1.0 . 5.20 1263 1159 A 93 ILE HA A 42 LYS HBx 1.0 . 4.10 1264 1159 A 42 LYS HBy A 93 ILE HA 1.0 . 4.10 1265 1160 A 93 ILE HB A 92 ILE HA 1.0 . 4.80 1266 1161 A 41 VAL HG1% A 94 VAL HA 1.0 . 5.50 1267 1162 A 94 VAL HA A 95 ARG HBx 1.0 . 4.79 1268 1162 A 94 VAL HA A 95 ARG HBy 1.0 . 4.79 1269 1163 A 94 VAL HA A 43 VAL HA 1.0 . 5.50 1270 1164 A 94 VAL HA A 93 ILE HA 1.0 . 5.50 1271 1165 A 41 VAL HG1% A 94 VAL HB 1.0 . 4.71 1272 1166 A 93 ILE HG2% A 95 ARG HBx 1.0 . 4.04 1273 1166 A 93 ILE HG2% A 95 ARG HBy 1.0 . 4.04 1274 1167 A 97 ILE HD1% A 95 ARG HBx 1.0 . 4.20 1275 1167 A 95 ARG HBy A 97 ILE HD1% 1.0 . 4.20 1276 1168 A 46 VAL H A 95 ARG HBx 1.0 . 5.50 1277 1168 A 95 ARG HBy A 46 VAL H 1.0 . 5.50 1278 1169 A 94 VAL H A 95 ARG HBx 1.0 . 5.50 1279 1169 A 94 VAL H A 95 ARG HBy 1.0 . 5.50 1280 1170 A 76 LEU HD1% A 96 TYR HA 1.0 . 4.41 1281 1171 A 96 TYR HA A 95 ARG HBx 1.0 . 5.23 1282 1171 A 96 TYR HA A 95 ARG HBy 1.0 . 5.23 1283 1172 A 96 TYR HA A 97 ILE HB 1.0 . 5.13 1284 1173 A 76 LEU HD1% A 96 TYR HB3 1.0 . 3.76 1285 1174 A 76 LEU HD2% A 96 TYR HB3 1.0 . 5.50 1286 1175 A 96 TYR HB3 A 97 ILE HD1% 1.0 . 5.50 1287 1176 A 43 VAL HG1% A 96 TYR HB3 1.0 . 5.50 1288 1177 A 46 VAL HG2% A 96 TYR HB3 1.0 . 5.50 1289 1178 A 96 TYR HB3 A 95 ARG HA 1.0 . 6.20 1290 1179 A 96 TYR HB3 A 45 TYR HA 1.0 . 4.86 1291 1180 A 98 TYR HE% A 96 TYR HB3 1.0 . 3.91 1292 1181 A 96 TYR HB3 A 98 TYR HH 1.0 . 5.50 1293 1182 A 43 VAL HG1% A 96 TYR HB2 1.0 . 5.50 1294 1183 A 46 VAL HG2% A 96 TYR HB2 1.0 . 5.50 1295 1184 A 96 TYR HB2 A 95 ARG HA 1.0 . 5.68 1296 1185 A 97 ILE H A 96 TYR HB2 1.0 . 5.40 1297 1186 A 96 TYR HB2 A 98 TYR HH 1.0 . 5.50 1298 1187 A 98 TYR H A 97 ILE HA 1.0 . 3.28 1299 1188 A 77 ARG HB3 A 97 ILE HB 1.0 . 4.82 1300 1189 A 78 GLU H A 97 ILE HB 1.0 . 5.50 1301 1190 A 98 TYR H A 97 ILE HB 1.0 . 5.34 1302 1191 A 77 ARG H A 97 ILE HB 1.0 . 6.12 1303 1192 A 98 TYR HD% A 98 TYR HA 1.0 . 4.88 1304 1193 A 98 TYR HB3 A 53 ILE HD1% 1.0 . 4.47 1305 1194 A 98 TYR HB3 A 74 TYR HA 1.0 . 5.53 1306 1195 A 98 TYR HB3 A 74 TYR HD% 1.0 . 4.37 1307 1196 A 98 TYR HB2 A 53 ILE HD1% 1.0 . 4.76 1308 1197 A 74 TYR HD% A 98 TYR HB2 1.0 . 4.65 1309 1198 A 99 ASP H A 98 TYR HB2 1.0 . 5.44 1310 1199 A 99 ASP HA A 100 LYS HBx 1.0 . 4.60 1311 1199 A 99 ASP HA A 100 LYS HBy 1.0 . 4.60 1312 1200 A 99 ASP HA A 74 TYR HD% 1.0 . 5.08 1313 1201 A 75 LYS HB2 A 99 ASP HBy 1.0 . 5.50 1314 1202 A 98 TYR HA A 99 ASP HBy 1.0 . 5.61 1315 1203 A 98 TYR HA A 99 ASP HBx 1.0 . 5.61 1316 1204 A 100 LYS HA A 102 ILE HD1% 1.0 . 5.50 1317 1205 A 100 LYS HA A 101 ILE HG13 1.0 . 4.89 1318 1206 A 74 TYR HB2 A 100 LYS HA 1.0 . 5.25 1319 1207 A 100 LYS HA A 74 TYR HA 1.0 . 3.82 1320 1208 A 74 TYR HE% A 100 LYS HA 1.0 . 4.12 1321 1209 A 105 SER HA A 107 VAL HGx% 1.0 . 4.77 1322 1209 A 107 VAL HGy% A 105 SER HA 1.0 . 4.77 1323 1210 A 106 TYR H A 105 SER HA 1.0 . 3.60 1324 1211 A 93 ILE HG12 A 92 ILE HA 1.0 . 5.50 1325 1212 A 104 VAL HG1% A 105 SER HBx 1.0 . 5.50 1326 1212 A 105 SER HBy A 104 VAL HG1% 1.0 . 5.50 1327 1213 A 104 VAL HG2% A 105 SER HBx 1.0 . 5.70 1328 1213 A 105 SER HBy A 104 VAL HG2% 1.0 . 5.70 1329 1214 A 103 ASP HA A 104 VAL HG2% 1.0 . 5.04 1330 1215 A 103 ASP HA A 104 VAL H 1.0 . 3.05 1331 1216 A 101 ILE HG2% A 103 ASP HBy 1.0 . 5.33 1332 1217 A 102 ILE HA A 103 ASP HBx 1.0 . 5.90 1333 1218 A 104 VAL HA A 103 ASP HBx 1.0 . 5.50 1334 1219 A 102 ILE HA A 103 ASP HBy 1.0 . 5.50 1335 1220 A 104 VAL HA A 103 ASP HBy 1.0 . 5.85 1336 1221 A 106 TYR HA A 107 VAL HGx% 1.0 . 4.54 1337 1221 A 107 VAL HGy% A 106 TYR HA 1.0 . 4.54 1338 1222 A 107 VAL H A 106 TYR HBy 1.0 . 4.93 1339 1223 A 39 PHE HB2 A 87 ILE HB 1.0 . 5.50 1340 1224 A 107 VAL H A 106 TYR HBx 1.0 . 4.93 1341 1225 A 106 TYR HA A 107 VAL HA 1.0 . 5.09 1342 1226 A 108 ASP HA A 107 VAL HA 1.0 . 5.50 1343 1227 A 107 VAL HA A 106 TYR HD% 1.0 . 5.94 1344 1228 A 107 VAL HB A 108 ASP HA 1.0 . 5.68 1345 1229 A 111 GLY H A 110 THR HB 1.0 . 4.78 1346 1230 A 114 LEU HD2% A 111 GLY HAx 1.0 . 5.47 1347 1230 A 114 LEU HD2% A 111 GLY HAy 1.0 . 5.47 1348 1231 A 114 LEU HD1% A 111 GLY HAx 1.0 . 5.50 1349 1231 A 114 LEU HD1% A 111 GLY HAy 1.0 . 5.50 1350 1232 A 114 LEU HG A 111 GLY HAx 1.0 . 6.03 1351 1232 A 111 GLY HAy A 114 LEU HG 1.0 . 6.03 1352 1233 A 114 LEU H A 113 ASP HBy 1.0 . 5.35 1353 1234 A 119 GLU HA A 118 VAL HGx% 1.0 . 5.25 1354 1234 A 119 GLU HA A 118 VAL HGy% 1.0 . 5.25 1355 1235 A 119 GLU HA A 120 ILE HD1% 1.0 . 5.50 1356 1236 A 130 HIS H A 129 GLU HBx 1.0 . 5.50 1357 1236 A 129 GLU HBy A 130 HIS H 1.0 . 5.50 1358 1237 A 101 ILE HA A 102 ILE HB 1.0 . 4.74 1359 1238 A 126 ALA HB% A 123 SER HA 1.0 . 5.35 1360 1239 A 127 VAL HG2% A 124 GLU HA 1.0 . 5.14 1361 1240 A 101 ILE HA A 75 LYS HB2 1.0 . 5.50 1362 1241 A 101 ILE HA A 100 LYS HBx 1.0 . 5.50 1363 1241 A 101 ILE HA A 100 LYS HBy 1.0 . 5.50 1364 1242 A 101 ILE HA A 75 LYS HB3 1.0 . 5.50 1365 1243 A 101 ILE HA A 102 ILE H 1.0 . 2.97 1366 1244 A 87 ILE HD1% A 62 TYR HB3 1.0 . 6.03 1367 1245 A 69 LYS HB2 A 45 TYR HB3 1.0 . 5.50 1368 1246 A 40 THR HG2% A 39 PHE HB3 1.0 . 5.50 1369 1247 A 92 ILE HD1% A 39 PHE HB3 1.0 . 5.50 1370 1248 A 39 PHE HB3 A 90 THR HA 1.0 . 4.83 1371 1249 A 87 ILE HD1% A 39 PHE HB2 1.0 . 5.46 1372 1250 A 39 PHE HB2 A 87 ILE HG2% 1.0 . 3.65 1373 1251 A 39 PHE HB2 A 90 THR HA 1.0 . 5.50 1374 1252 A 46 VAL HG1% A 50 GLY HA2 1.0 . 4.69 1375 1253 A 51 ALA HB% A 50 GLY HA2 1.0 . 5.78 1376 1254 A 46 VAL HA A 50 GLY HA2 1.0 . 5.79 1377 1255 A 46 VAL HG1% A 50 GLY HA3 1.0 . 5.11 1378 1256 A 46 VAL HG2% A 50 GLY HA3 1.0 . 4.50 1379 1257 A 59 LEU HG A 58 THR HA 1.0 . 5.70 1380 1258 A 59 LEU HB2 A 58 THR HA 1.0 . 5.50 1381 1259 A 58 THR HA A 42 LYS HBx 1.0 . 5.13 1382 1259 A 42 LYS HBy A 58 THR HA 1.0 . 5.13 1383 1260 A 42 LYS HA A 58 THR HA 1.0 . 3.82 1384 1261 A 41 VAL H A 58 THR HA 1.0 . 4.89 1385 1262 A 43 VAL H A 58 THR HA 1.0 . 4.33 1386 1263 A 59 LEU H A 58 THR HA 1.0 . 3.25 1387 1264 A 58 THR HB A 57 ASP HB3 1.0 . 5.57 1388 1265 A 58 THR HB A 59 LEU HA 1.0 . 5.57 1389 1266 A 58 THR HB A 57 ASP HA 1.0 . 4.59 1390 1267 A 101 ILE HB A 73 GLY HA2 1.0 . 5.09 1391 1268 A 101 ILE HB A 100 LYS HA 1.0 . 4.92 1392 1269 A 101 ILE HB A 73 GLY HA3 1.0 . 5.25 1393 1270 A 101 ILE HB A 74 TYR HA 1.0 . 5.14 1394 1271 A 101 ILE HB A 102 ILE H 1.0 . 4.56 1395 1272 A 75 LYS H A 101 ILE HB 1.0 . 6.20 1396 1273 A 90 THR HG2% A 89 ASP HBx 1.0 . 5.50 1397 1274 A 90 THR H A 89 ASP HBx 1.0 . 4.26 1398 1275 A 36 THR HG2% A 37 ASN H 1.0 . 5.84 1399 1276 A 41 VAL HG2% A 40 THR HG2% 1.0 . 5.41 1400 1277 A 87 ILE HD1% A 40 THR HG2% 1.0 . 4.47 1401 1278 A 58 THR HB A 40 THR HG2% 1.0 . 5.01 1402 1279 A 41 VAL H A 40 THR HG2% 1.0 . 4.23 1403 1280 A 59 LEU H A 40 THR HG2% 1.0 . 5.65 1404 1281 A 41 VAL HG1% A 94 VAL HG2% 1.0 . 3.27 1405 1282 A 41 VAL HG1% A 92 ILE HG2% 1.0 . 3.50 1406 1283 A 41 VAL HG1% A 92 ILE HB 1.0 . 4.65 1407 1284 A 41 VAL HG1% A 93 ILE HA 1.0 . 4.15 1408 1285 A 41 VAL HG1% A 64 TYR HD% 1.0 . 5.31 1409 1286 A 41 VAL HG1% A 43 VAL H 1.0 . 5.17 1410 1287 A 41 VAL HG1% A 94 VAL H 1.0 . 4.49 1411 1288 A 41 VAL HG2% A 87 ILE HD1% 1.0 . 3.23 1412 1289 A 41 VAL HG2% A 92 ILE HD1% 1.0 . 3.85 1413 1290 A 41 VAL HG2% A 92 ILE HG13 1.0 . 5.50 1414 1291 A 41 VAL HG2% A 59 LEU HB3 1.0 . 5.29 1415 1292 A 41 VAL HG2% A 87 ILE HG13 1.0 . 4.18 1416 1293 A 41 VAL HG2% A 64 TYR HBx 1.0 . 5.13 1417 1294 A 41 VAL HG2% A 64 TYR HBy 1.0 . 5.13 1418 1295 A 41 VAL HG2% A 87 ILE HB 1.0 . 4.85 1419 1296 A 41 VAL HG2% A 64 TYR HA 1.0 . 5.04 1420 1297 A 41 VAL HG2% A 40 THR HA 1.0 . 4.80 1421 1298 A 41 VAL HG2% A 64 TYR HD% 1.0 . 4.47 1422 1299 A 41 VAL HG2% A 42 LYS H 1.0 . 4.75 1423 1300 A 93 ILE HG2% A 42 LYS HG3 1.0 . 5.30 1424 1301 A 42 LYS HG3 A 44 GLU HG2 1.0 . 5.38 1425 1302 A 42 LYS HG3 A 56 SER HBx 1.0 . 4.47 1426 1302 A 42 LYS HG3 A 56 SER HBy 1.0 . 4.47 1427 1303 A 42 LYS HG2 A 44 GLU HG3 1.0 . 4.64 1428 1304 A 42 LYS HG2 A 44 GLU HG2 1.0 . 4.77 1429 1305 A 93 ILE HG2% A 42 LYS HDy 1.0 . 5.47 1430 1306 A 93 ILE HD1% A 42 LYS HDy 1.0 . 5.06 1431 1307 A 44 GLU HG2 A 42 LYS HDy 1.0 . 5.22 1432 1308 A 56 SER HBy A 42 LYS HDy 1.0 . 5.50 1433 1308 A 42 LYS HDy A 56 SER HBx 1.0 . 5.50 1434 1309 A 43 VAL H A 42 LYS HDy 1.0 . 5.50 1435 1310 A 44 GLU H A 42 LYS HDy 1.0 . 5.50 1436 1311 A 93 ILE HG2% A 42 LYS HDx 1.0 . 5.47 1437 1312 A 93 ILE HD1% A 42 LYS HDx 1.0 . 5.06 1438 1313 A 44 GLU HG2 A 42 LYS HDx 1.0 . 5.22 1439 1314 A 43 VAL H A 42 LYS HDx 1.0 . 5.50 1440 1315 A 44 GLU H A 42 LYS HDx 1.0 . 5.50 1441 1316 A 93 ILE HG2% A 42 LYS HE3 1.0 . 5.49 1442 1317 A 44 GLU HG2 A 42 LYS HE3 1.0 . 4.41 1443 1318 A 42 LYS HE3 A 44 GLU HG3 1.0 . 4.82 1444 1319 A 43 VAL H A 42 LYS HE3 1.0 . 5.50 1445 1320 A 57 ASP H A 42 LYS HE3 1.0 . 5.50 1446 1321 A 93 ILE HG2% A 42 LYS HE2 1.0 . 6.11 1447 1322 A 44 GLU HG3 A 42 LYS HE2 1.0 . 5.01 1448 1323 A 43 VAL HG1% A 66 SER HBx 1.0 . 4.35 1449 1324 A 43 VAL HG1% A 66 SER HBy 1.0 . 4.35 1450 1325 A 43 VAL HG1% A 45 TYR HA 1.0 . 5.37 1451 1326 A 43 VAL HG1% A 96 TYR HE% 1.0 . 3.54 1452 1327 A 43 VAL HG1% A 45 TYR HE% 1.0 . 4.25 1453 1328 A 43 VAL HG1% A 96 TYR HD% 1.0 . 3.53 1454 1329 A 43 VAL HG1% A 94 VAL H 1.0 . 4.81 1455 1330 A 94 VAL HG2% A 83 ALA HB% 1.0 . 5.14 1456 1331 A 94 VAL HG2% A 83 ALA HA 1.0 . 4.42 1457 1332 A 94 VAL HG2% A 64 TYR HE% 1.0 . 4.98 1458 1333 A 94 VAL HG2% A 64 TYR HD% 1.0 . 4.69 1459 1334 A 94 VAL HG2% A 82 ASN HD22 1.0 . 4.78 1460 1335 A 94 VAL HG2% A 82 ASN HD21 1.0 . 5.19 1461 1336 A 94 VAL HG2% A 95 ARG H 1.0 . 4.76 1462 1337 A 44 GLU HG2 A 95 ARG HGx 1.0 . 5.50 1463 1337 A 95 ARG HGy A 44 GLU HG2 1.0 . 5.50 1464 1338 A 42 LYS HG3 A 44 GLU HG3 1.0 . 5.14 1465 1339 A 44 GLU HG3 A 95 ARG HGx 1.0 . 5.50 1466 1339 A 95 ARG HGy A 44 GLU HG3 1.0 . 5.50 1467 1340 A 44 GLU HG3 A 56 SER HBx 1.0 . 5.10 1468 1340 A 56 SER HBy A 44 GLU HG3 1.0 . 5.10 1469 1341 A 45 TYR H A 44 GLU HG3 1.0 . 5.50 1470 1342 A 94 VAL H A 44 GLU HG3 1.0 . 5.50 1471 1343 A 41 VAL HG1% A 59 LEU HD1% 1.0 . 3.88 1472 1344 A 59 LEU HD1% A 43 VAL HB 1.0 . 5.35 1473 1345 A 59 LEU HD1% A 64 TYR HBx 1.0 . 4.45 1474 1346 A 59 LEU HD1% A 66 SER HBy 1.0 . 4.25 1475 1347 A 64 TYR HA A 59 LEU HD1% 1.0 . 4.69 1476 1348 A 59 LEU HD1% A 66 SER H 1.0 . 5.45 1477 1349 A 43 VAL H A 59 LEU HD1% 1.0 . 5.40 1478 1350 A 59 LEU HD1% A 67 THR H 1.0 . 5.14 1479 1351 A 41 VAL HG1% A 43 VAL HG1% 1.0 . 4.40 1480 1352 A 61 ASP HB2 A 59 LEU HD2% 1.0 . 4.62 1481 1353 A 61 ASP HB3 A 59 LEU HD2% 1.0 . 5.33 1482 1354 A 59 LEU HD2% A 58 THR HA 1.0 . 5.18 1483 1355 A 61 ASP H A 59 LEU HD2% 1.0 . 5.02 1484 1356 A 60 THR H A 59 LEU HD2% 1.0 . 3.92 1485 1357 A 65 VAL H A 59 LEU HD2% 1.0 . 4.78 1486 1358 A 41 VAL HG1% A 59 LEU HG 1.0 . 5.42 1487 1359 A 46 VAL HG1% A 95 ARG HGx 1.0 . 4.29 1488 1359 A 46 VAL HG1% A 95 ARG HGy 1.0 . 4.29 1489 1360 A 46 VAL HG1% A 95 ARG HBx 1.0 . 4.96 1490 1360 A 46 VAL HG1% A 95 ARG HBy 1.0 . 4.96 1491 1361 A 46 VAL HG1% A 95 ARG HDx 1.0 . 4.74 1492 1361 A 46 VAL HG1% A 95 ARG HDy 1.0 . 4.74 1493 1362 A 46 VAL HG1% A 51 ALA HA 1.0 . 5.13 1494 1363 A 46 VAL HG1% A 52 GLU HA 1.0 . 3.54 1495 1364 A 46 VAL HG1% A 97 ILE HA 1.0 . 5.73 1496 1365 A 46 VAL HG1% A 95 ARG HA 1.0 . 5.19 1497 1366 A 46 VAL HG1% A 45 TYR HA 1.0 . 5.09 1498 1367 A 46 VAL HG1% A 95 ARG HE 1.0 . 5.07 1499 1368 A 46 VAL HG1% A 50 GLY H 1.0 . 5.41 1500 1369 A 46 VAL HG1% A 52 GLU H 1.0 . 4.80 1501 1370 A 46 VAL HG1% A 53 ILE H 1.0 . 4.47 1502 1371 A 46 VAL HG2% A 95 ARG HGx 1.0 . 3.54 1503 1371 A 46 VAL HG2% A 95 ARG HGy 1.0 . 3.54 1504 1372 A 46 VAL HG2% A 95 ARG HBx 1.0 . 3.65 1505 1372 A 46 VAL HG2% A 95 ARG HBy 1.0 . 3.65 1506 1373 A 46 VAL HG2% A 95 ARG HDx 1.0 . 3.57 1507 1373 A 46 VAL HG2% A 95 ARG HDy 1.0 . 3.57 1508 1374 A 46 VAL HG2% A 50 GLY HA2 1.0 . 4.18 1509 1375 A 46 VAL HG2% A 97 ILE HA 1.0 . 3.81 1510 1376 A 46 VAL HG2% A 95 ARG HA 1.0 . 5.04 1511 1377 A 46 VAL HG2% A 96 TYR HD% 1.0 . 5.84 1512 1378 A 46 VAL HG2% A 45 TYR HD% 1.0 . 5.75 1513 1379 A 46 VAL HG2% A 98 TYR H 1.0 . 4.47 1514 1380 A 46 VAL HG1% A 52 GLU HG2 1.0 . 4.68 1515 1381 A 51 ALA HB% A 52 GLU HG2 1.0 . 5.58 1516 1382 A 52 GLU HG2 A 51 ALA HA 1.0 . 5.55 1517 1383 A 52 GLU HG2 A 53 ILE HA 1.0 . 5.50 1518 1384 A 46 VAL HA A 52 GLU HG2 1.0 . 6.29 1519 1385 A 52 GLU HG2 A 45 TYR H 1.0 . 5.93 1520 1386 A 46 VAL HG1% A 52 GLU HG3 1.0 . 3.96 1521 1387 A 51 ALA HB% A 52 GLU HG3 1.0 . 5.50 1522 1388 A 51 ALA HA A 52 GLU HG3 1.0 . 5.50 1523 1389 A 52 GLU HG3 A 53 ILE HA 1.0 . 5.50 1524 1390 A 46 VAL HA A 52 GLU HG3 1.0 . 5.90 1525 1391 A 54 ALA H A 52 GLU HG3 1.0 . 4.90 1526 1392 A 52 GLU HG3 A 45 TYR H 1.0 . 6.40 1527 1393 A 45 TYR HB3 A 53 ILE HG1x 1.0 . 5.31 1528 1393 A 45 TYR HB3 A 53 ILE HG1y 1.0 . 5.31 1529 1394 A 98 TYR HB2 A 53 ILE HG1x 1.0 . 5.50 1530 1394 A 98 TYR HB2 A 53 ILE HG1y 1.0 . 5.50 1531 1395 A 54 ALA HA A 53 ILE HG1x 1.0 . 5.50 1532 1395 A 53 ILE HG1y A 54 ALA HA 1.0 . 5.50 1533 1396 A 46 VAL HA A 53 ILE HG1x 1.0 . 4.12 1534 1396 A 46 VAL HA A 53 ILE HG1y 1.0 . 4.12 1535 1397 A 54 ALA H A 53 ILE HG1x 1.0 . 4.04 1536 1397 A 54 ALA H A 53 ILE HG1y 1.0 . 4.04 1537 1398 A 47 ASP H A 53 ILE HG1x 1.0 . 4.90 1538 1398 A 47 ASP H A 53 ILE HG1y 1.0 . 4.90 1539 1399 A 53 ILE HG2% A 46 VAL HB 1.0 . 5.46 1540 1400 A 53 ILE HG2% A 52 GLU HBx 1.0 . 5.44 1541 1400 A 53 ILE HG2% A 52 GLU HBy 1.0 . 5.44 1542 1401 A 53 ILE HG2% A 47 ASP HBx 1.0 . 4.12 1543 1402 A 53 ILE HG2% A 47 ASP HA 1.0 . 4.98 1544 1403 A 74 TYR HE% A 53 ILE HG2% 1.0 . 3.45 1545 1404 A 53 ILE HD1% A 71 ILE HD1% 1.0 . 3.50 1546 1405 A 53 ILE HD1% A 71 ILE HG1y 1.0 . 5.72 1547 1406 A 53 ILE HD1% A 71 ILE HB 1.0 . 4.88 1548 1407 A 74 TYR HB2 A 53 ILE HD1% 1.0 . 3.89 1549 1408 A 53 ILE HD1% A 52 GLU HA 1.0 . 5.50 1550 1409 A 53 ILE HD1% A 54 ALA HA 1.0 . 5.50 1551 1410 A 53 ILE HD1% A 98 TYR HA 1.0 . 5.90 1552 1411 A 53 ILE HD1% A 74 TYR HA 1.0 . 5.81 1553 1412 A 53 ILE HD1% A 45 TYR HA 1.0 . 5.50 1554 1413 A 99 ASP HA A 53 ILE HD1% 1.0 . 5.50 1555 1414 A 53 ILE HD1% A 47 ASP HA 1.0 . 4.53 1556 1415 A 98 TYR HD% A 53 ILE HD1% 1.0 . 4.64 1557 1416 A 99 ASP H A 53 ILE HD1% 1.0 . 5.75 1558 1417 A 53 ILE HD1% A 46 VAL H 1.0 . 5.30 1559 1418 A 98 TYR H A 53 ILE HD1% 1.0 . 5.04 1560 1419 A 53 ILE HD1% A 54 ALA HB% 1.0 . 5.14 1561 1420 A 54 ALA HB% A 53 ILE HG1x 1.0 . 3.93 1562 1420 A 53 ILE HG1y A 54 ALA HB% 1.0 . 3.93 1563 1421 A 71 ILE HG2% A 54 ALA HB% 1.0 . 3.82 1564 1422 A 54 ALA HB% A 55 PRO HB3 1.0 . 5.35 1565 1423 A 45 TYR HB3 A 54 ALA HB% 1.0 . 4.07 1566 1424 A 54 ALA HB% A 55 PRO HDx 1.0 . 3.79 1567 1425 A 54 ALA HB% A 55 PRO HDy 1.0 . 3.79 1568 1426 A 54 ALA HB% A 53 ILE HA 1.0 . 4.84 1569 1427 A 54 ALA HB% A 56 SER HA 1.0 . 6.05 1570 1428 A 45 TYR HA A 54 ALA HB% 1.0 . 5.72 1571 1429 A 54 ALA HB% A 45 TYR HE% 1.0 . 5.08 1572 1430 A 74 TYR HD% A 54 ALA HB% 1.0 . 5.77 1573 1431 A 45 TYR HD% A 54 ALA HB% 1.0 . 4.10 1574 1432 A 53 ILE H A 54 ALA HB% 1.0 . 4.86 1575 1433 A 45 TYR H A 54 ALA HB% 1.0 . 4.95 1576 1434 A 54 ALA HB% A 55 PRO HB2 1.0 . 6.02 1577 1435 A 56 SER H A 55 PRO HB2 1.0 . 4.26 1578 1436 A 55 PRO HB3 A 56 SER HBx 1.0 . 5.50 1579 1436 A 56 SER HBy A 55 PRO HB3 1.0 . 5.50 1580 1437 A 56 SER H A 55 PRO HB3 1.0 . 4.67 1581 1438 A 56 SER H A 55 PRO HGx 1.0 . 5.53 1582 1439 A 60 THR HG2% A 61 ASP HB2 1.0 . 6.01 1583 1440 A 40 THR HB A 58 THR HG2% 1.0 . 3.22 1584 1441 A 41 VAL H A 58 THR HG2% 1.0 . 4.25 1585 1442 A 43 VAL H A 58 THR HG2% 1.0 . 5.40 1586 1443 A 59 LEU H A 58 THR HG2% 1.0 . 3.76 1587 1444 A 61 ASP HB3 A 60 THR HG2% 1.0 . 5.79 1588 1445 A 42 LYS HA A 58 THR HG2% 1.0 . 4.32 1589 1446 A 60 THR HG2% A 59 LEU HA 1.0 . 5.32 1590 1447 A 84 THR HG2% A 65 VAL HG2% 1.0 . 3.69 1591 1448 A 65 VAL HG2% A 84 THR HA 1.0 . 5.00 1592 1449 A 64 TYR HA A 65 VAL HG2% 1.0 . 4.63 1593 1450 A 66 SER H A 65 VAL HG2% 1.0 . 5.01 1594 1451 A 84 THR HG2% A 65 VAL HG1% 1.0 . 3.11 1595 1452 A 68 PRO HD3 A 67 THR HA 1.0 . 3.29 1596 1453 A 68 PRO HD2 A 67 THR HA 1.0 . 3.21 1597 1454 A 68 PRO HD2 A 67 THR HB 1.0 . 3.55 1598 1455 A 84 THR HG2% A 65 VAL HB 1.0 . 4.99 1599 1456 A 68 PRO HD3 A 67 THR HG2% 1.0 . 4.21 1600 1457 A 68 PRO HD2 A 67 THR HG2% 1.0 . 3.79 1601 1458 A 67 THR HG2% A 68 PRO HG2 1.0 . 5.50 1602 1459 A 76 LEU HD1% A 68 PRO HG2 1.0 . 6.20 1603 1460 A 67 THR HB A 68 PRO HG2 1.0 . 5.03 1604 1461 A 67 THR HA A 68 PRO HG2 1.0 . 5.05 1605 1462 A 96 TYR HE% A 68 PRO HG2 1.0 . 5.12 1606 1463 A 96 TYR HD% A 68 PRO HG2 1.0 . 6.19 1607 1464 A 76 LEU HD1% A 68 PRO HG3 1.0 . 5.75 1608 1465 A 76 LEU HD2% A 68 PRO HG3 1.0 . 4.19 1609 1466 A 68 PRO HG3 A 67 THR HA 1.0 . 4.93 1610 1467 A 96 TYR HE% A 68 PRO HG3 1.0 . 4.82 1611 1468 A 96 TYR HD% A 68 PRO HG3 1.0 . 5.91 1612 1469 A 76 LEU HD2% A 68 PRO HD3 1.0 . 5.63 1613 1470 A 68 PRO HD3 A 96 TYR HE% 1.0 . 3.94 1614 1471 A 76 LEU HD2% A 68 PRO HD2 1.0 . 5.71 1615 1472 A 68 PRO HD3 A 67 THR HB 1.0 . 4.10 1616 1473 A 68 PRO HD2 A 96 TYR HE% 1.0 . 5.21 1617 1474 A 45 TYR HE% A 69 LYS HEx 1.0 . 5.08 1618 1475 A 98 TYR HE% A 71 ILE HB 1.0 . 5.78 1619 1476 A 71 ILE HB A 98 TYR HH 1.0 . 6.04 1620 1477 A 71 ILE HG2% A 72 PRO HDy 1.0 . 4.29 1621 1478 A 71 ILE HG2% A 74 TYR HA 1.0 . 5.96 1622 1479 A 71 ILE HG2% A 73 GLY H 1.0 . 5.74 1623 1480 A 93 ILE HG12 A 94 VAL H 1.0 . 5.50 1624 1481 A 92 ILE H A 93 ILE HG12 1.0 . 5.50 1625 1482 A 98 TYR HH A 71 ILE HG1y 1.0 . 5.94 1626 1483 A 53 ILE HD1% A 71 ILE HG1x 1.0 . 5.72 1627 1484 A 98 TYR HH A 71 ILE HG1x 1.0 . 5.94 1628 1485 A 71 ILE HD1% A 54 ALA HB% 1.0 . 3.27 1629 1486 A 71 ILE HD1% A 54 ALA HA 1.0 . 5.37 1630 1487 A 71 ILE HD1% A 45 TYR HA 1.0 . 5.40 1631 1488 A 46 VAL HA A 71 ILE HD1% 1.0 . 5.50 1632 1489 A 71 ILE HD1% A 47 ASP HA 1.0 . 5.50 1633 1490 A 69 LYS H A 71 ILE HD1% 1.0 . 5.44 1634 1491 A 98 TYR HE% A 71 ILE HD1% 1.0 . 4.35 1635 1492 A 71 ILE HD1% A 45 TYR HD% 1.0 . 5.18 1636 1493 A 98 TYR HD% A 71 ILE HD1% 1.0 . 5.50 1637 1494 A 54 ALA H A 71 ILE HD1% 1.0 . 5.18 1638 1495 A 71 ILE HD1% A 98 TYR HH 1.0 . 4.56 1639 1496 A 71 ILE HG2% A 72 PRO HDx 1.0 . 4.29 1640 1497 A 71 ILE H A 72 PRO HDx 1.0 . 5.88 1641 1498 A 101 ILE HD1% A 75 LYS HGy 1.0 . 5.15 1642 1499 A 101 ILE HD1% A 75 LYS HGx 1.0 . 5.15 1643 1500 A 76 LEU H A 75 LYS HGx 1.0 . 4.86 1644 1501 A 101 ILE HD1% A 75 LYS HDy 1.0 . 5.26 1645 1502 A 101 ILE HD1% A 75 LYS HDx 1.0 . 5.26 1646 1503 A 76 LEU H A 75 LYS HDy 1.0 . 5.99 1647 1504 A 76 LEU H A 75 LYS HDx 1.0 . 5.99 1648 1505 A 101 ILE HG12 A 75 LYS HEx 1.0 . 5.10 1649 1505 A 101 ILE HG12 A 75 LYS HEy 1.0 . 5.10 1650 1506 A 97 ILE HG2% A 77 ARG HDy 1.0 . 4.41 1651 1507 A 77 ARG HH1% A 77 ARG HDy 1.0 . 4.73 1652 1508 A 78 GLU H A 77 ARG HDy 1.0 . 5.64 1653 1509 A 77 ARG HH2% A 77 ARG HDy 1.0 . 5.18 1654 1510 A 77 ARG HH1% A 77 ARG HDx 1.0 . 4.73 1655 1511 A 78 GLU H A 77 ARG HDx 1.0 . 5.64 1656 1512 A 77 ARG HH2% A 77 ARG HDx 1.0 . 5.18 1657 1513 A 79 ILE HA A 78 GLU HGy 1.0 . 5.50 1658 1514 A 79 ILE H A 78 GLU HGy 1.0 . 5.09 1659 1515 A 79 ILE HA A 78 GLU HGx 1.0 . 5.50 1660 1516 A 79 ILE H A 78 GLU HGx 1.0 . 5.09 1661 1517 A 79 ILE HA A 80 PRO HG3 1.0 . 5.21 1662 1518 A 79 ILE HA A 83 ALA HB% 1.0 . 4.36 1663 1519 A 79 ILE HA A 96 TYR HE% 1.0 . 4.65 1664 1520 A 96 TYR HD% A 79 ILE HA 1.0 . 5.50 1665 1521 A 79 ILE HB A 78 GLU HA 1.0 . 4.80 1666 1522 A 68 PRO HD3 A 79 ILE HG1y 1.0 . 5.50 1667 1523 A 80 PRO HD3 A 79 ILE HG1y 1.0 . 5.50 1668 1524 A 78 GLU HA A 79 ILE HG1y 1.0 . 5.26 1669 1525 A 68 PRO HD3 A 79 ILE HG1x 1.0 . 5.50 1670 1526 A 80 PRO HD3 A 79 ILE HG1x 1.0 . 5.50 1671 1527 A 78 GLU HA A 79 ILE HG1x 1.0 . 5.36 1672 1528 A 80 PRO HD2 A 79 ILE HG2% 1.0 . 3.75 1673 1529 A 80 PRO HD3 A 79 ILE HG2% 1.0 . 4.34 1674 1530 A 79 ILE HG2% A 83 ALA HA 1.0 . 5.47 1675 1531 A 79 ILE HG2% A 96 TYR HE% 1.0 . 4.21 1676 1532 A 96 TYR HD% A 79 ILE HG2% 1.0 . 5.46 1677 1533 A 83 ALA H A 79 ILE HG2% 1.0 . 4.64 1678 1534 A 84 THR H A 79 ILE HG2% 1.0 . 5.60 1679 1535 A 79 ILE HD1% A 83 ALA HB% 1.0 . 4.37 1680 1536 A 79 ILE HD1% A 68 PRO HG2 1.0 . 4.82 1681 1537 A 80 PRO HD2 A 79 ILE HD1% 1.0 . 5.25 1682 1538 A 68 PRO HD3 A 79 ILE HD1% 1.0 . 4.39 1683 1539 A 68 PRO HD2 A 79 ILE HD1% 1.0 . 5.27 1684 1540 A 96 TYR HD% A 79 ILE HD1% 1.0 . 5.10 1685 1541 A 94 VAL HG1% A 80 PRO HB2 1.0 . 4.26 1686 1542 A 82 ASN H A 80 PRO HB2 1.0 . 4.17 1687 1543 A 95 ARG H A 80 PRO HB2 1.0 . 5.26 1688 1544 A 94 VAL HG1% A 80 PRO HB3 1.0 . 4.31 1689 1545 A 83 ALA H A 80 PRO HB3 1.0 . 5.71 1690 1546 A 82 ASN H A 80 PRO HB3 1.0 . 4.68 1691 1547 A 95 ARG H A 80 PRO HB3 1.0 . 5.12 1692 1548 A 94 VAL HG1% A 80 PRO HG3 1.0 . 3.82 1693 1549 A 94 VAL HA A 80 PRO HG3 1.0 . 5.25 1694 1550 A 96 TYR HE% A 80 PRO HG3 1.0 . 5.41 1695 1551 A 95 ARG H A 80 PRO HG3 1.0 . 4.76 1696 1552 A 94 VAL HG1% A 80 PRO HG2 1.0 . 3.79 1697 1553 A 80 PRO HG2 A 83 ALA H 1.0 . 4.81 1698 1554 A 76 LEU HD1% A 80 PRO HD3 1.0 . 5.32 1699 1555 A 94 VAL HG1% A 80 PRO HD3 1.0 . 5.19 1700 1556 A 80 PRO HD3 A 79 ILE HB 1.0 . 5.50 1701 1557 A 80 PRO HD3 A 96 TYR HE% 1.0 . 4.60 1702 1558 A 76 LEU HD1% A 80 PRO HD2 1.0 . 5.46 1703 1559 A 94 VAL HG1% A 80 PRO HD2 1.0 . 5.10 1704 1560 A 80 PRO HD2 A 79 ILE HB 1.0 . 5.13 1705 1561 A 96 TYR HD% A 80 PRO HD2 1.0 . 4.86 1706 1562 A 97 ILE H A 80 PRO HD2 1.0 . 5.50 1707 1563 A 84 THR HG2% A 85 GLY H 1.0 . 4.31 1708 1564 A 84 THR HG2% A 66 SER H 1.0 . 4.05 1709 1565 A 84 THR HG2% A 65 VAL H 1.0 . 5.46 1710 1566 A 41 VAL HG2% A 87 ILE HG2% 1.0 . 3.34 1711 1567 A 87 ILE HG2% A 39 PHE HB3 1.0 . 3.74 1712 1568 A 87 ILE HG2% A 88 THR HA 1.0 . 5.62 1713 1569 A 87 ILE HG2% A 39 PHE HA 1.0 . 4.18 1714 1570 A 62 TYR HE% A 87 ILE HG2% 1.0 . 5.02 1715 1571 A 39 PHE HD% A 87 ILE HG2% 1.0 . 3.91 1716 1572 A 87 ILE HG2% A 39 PHE HE% 1.0 . 5.54 1717 1573 A 40 THR H A 87 ILE HG2% 1.0 . 4.76 1718 1574 A 39 PHE H A 87 ILE HG2% 1.0 . 4.87 1719 1575 A 41 VAL H A 87 ILE HG2% 1.0 . 5.16 1720 1576 A 87 ILE HG13 A 64 TYR HBy 1.0 . 5.83 1721 1577 A 86 ASN HA A 87 ILE HG13 1.0 . 5.31 1722 1578 A 64 TYR HD% A 87 ILE HG13 1.0 . 4.69 1723 1579 A 41 VAL HG2% A 87 ILE HG12 1.0 . 3.33 1724 1580 A 64 TYR HD% A 87 ILE HG12 1.0 . 4.97 1725 1581 A 87 ILE HD1% A 41 VAL HB 1.0 . 4.57 1726 1582 A 87 ILE HD1% A 59 LEU HB2 1.0 . 4.72 1727 1583 A 87 ILE HD1% A 64 TYR HBy 1.0 . 4.67 1728 1584 A 60 THR HA A 87 ILE HD1% 1.0 . 3.93 1729 1585 A 87 ILE HD1% A 40 THR HA 1.0 . 3.84 1730 1586 A 87 ILE HD1% A 86 ASN HA 1.0 . 6.09 1731 1587 A 87 ILE HD1% A 64 TYR HD% 1.0 . 4.57 1732 1588 A 87 ILE HD1% A 62 TYR HD% 1.0 . 5.46 1733 1589 A 88 THR HG2% A 86 ASN HBy 1.0 . 3.92 1734 1590 A 87 ILE HA A 88 THR HG2% 1.0 . 4.83 1735 1591 A 86 ASN HA A 88 THR HG2% 1.0 . 5.25 1736 1592 A 86 ASN H A 88 THR HG2% 1.0 . 4.83 1737 1593 A 87 ILE H A 88 THR HG2% 1.0 . 5.51 1738 1594 A 92 ILE H A 41 VAL HA 1.0 . 5.50 1739 1595 A 92 ILE H A 90 THR HA 1.0 . 5.50 1740 1596 A 90 THR HB A 39 PHE HZ 1.0 . 5.50 1741 1597 A 39 PHE HE% A 90 THR HA 1.0 . 5.50 1742 1598 A 91 GLY H A 90 THR HB 1.0 . 3.81 1743 1599 A 90 THR HG2% A 89 ASP HBy 1.0 . 5.50 1744 1600 A 90 THR HG2% A 37 ASN HBy 1.0 . 5.50 1745 1601 A 90 THR HG2% A 37 ASN HBx 1.0 . 5.50 1746 1602 A 90 THR HG2% A 89 ASP HA 1.0 . 4.83 1747 1603 A 90 THR HG2% A 39 PHE HA 1.0 . 4.48 1748 1604 A 90 THR HG2% A 39 PHE HD% 1.0 . 4.79 1749 1605 A 41 VAL HG2% A 92 ILE HG2% 1.0 . 4.22 1750 1606 A 92 ILE HG2% A 94 VAL HA 1.0 . 4.82 1751 1607 A 92 ILE HG2% A 41 VAL HA 1.0 . 4.92 1752 1608 A 92 ILE HG2% A 93 ILE HA 1.0 . 4.72 1753 1609 A 92 ILE HG2% A 64 TYR HE% 1.0 . 5.93 1754 1610 A 92 ILE HG2% A 64 TYR HD% 1.0 . 5.54 1755 1611 A 82 ASN HD22 A 92 ILE HG2% 1.0 . 4.18 1756 1612 A 92 ILE HG2% A 88 THR H 1.0 . 5.50 1757 1613 A 92 ILE HG2% A 89 ASP H 1.0 . 5.50 1758 1614 A 92 ILE HG2% A 95 ARG H 1.0 . 5.90 1759 1615 A 92 ILE HD1% A 89 ASP HBx 1.0 . 4.89 1760 1616 A 92 ILE HD1% A 89 ASP HBy 1.0 . 4.89 1761 1617 A 92 ILE HD1% A 87 ILE HA 1.0 . 3.67 1762 1618 A 92 ILE HD1% A 41 VAL HA 1.0 . 5.50 1763 1619 A 92 ILE HD1% A 90 THR HA 1.0 . 5.50 1764 1620 A 92 ILE HD1% A 88 THR HA 1.0 . 5.50 1765 1621 A 92 ILE HD1% A 88 THR HB 1.0 . 5.50 1766 1622 A 92 ILE HD1% A 89 ASP HA 1.0 . 5.71 1767 1623 A 92 ILE HD1% A 64 TYR HE% 1.0 . 5.52 1768 1624 A 92 ILE HD1% A 64 TYR HD% 1.0 . 5.09 1769 1625 A 93 ILE H A 92 ILE HD1% 1.0 . 5.33 1770 1626 A 41 VAL HG1% A 92 ILE HG13 1.0 . 5.50 1771 1627 A 92 ILE HG13 A 89 ASP HBx 1.0 . 5.38 1772 1628 A 92 ILE HG13 A 89 ASP HBy 1.0 . 5.38 1773 1629 A 92 ILE HG13 A 88 THR H 1.0 . 5.50 1774 1630 A 92 ILE HG13 A 89 ASP H 1.0 . 5.41 1775 1631 A 41 VAL HG1% A 92 ILE HG12 1.0 . 5.50 1776 1632 A 41 VAL HG2% A 92 ILE HG12 1.0 . 5.50 1777 1633 A 42 LYS H A 93 ILE HG13 1.0 . 6.15 1778 1634 A 93 ILE HG2% A 42 LYS HG2 1.0 . 4.67 1779 1635 A 93 ILE HG2% A 95 ARG HGx 1.0 . 3.76 1780 1635 A 95 ARG HGy A 93 ILE HG2% 1.0 . 3.76 1781 1636 A 93 ILE HG2% A 42 LYS HBx 1.0 . 3.99 1782 1636 A 93 ILE HG2% A 42 LYS HBy 1.0 . 3.99 1783 1637 A 93 ILE HG2% A 44 GLU HB2 1.0 . 4.82 1784 1638 A 93 ILE HG2% A 44 GLU HG3 1.0 . 4.14 1785 1639 A 93 ILE HG2% A 44 GLU HG2 1.0 . 4.54 1786 1640 A 93 ILE HG2% A 95 ARG HDx 1.0 . 4.50 1787 1640 A 93 ILE HG2% A 95 ARG HDy 1.0 . 4.50 1788 1641 A 93 ILE HG2% A 94 VAL HA 1.0 . 5.05 1789 1642 A 42 LYS H A 93 ILE HG2% 1.0 . 5.27 1790 1643 A 95 ARG H A 93 ILE HG2% 1.0 . 5.05 1791 1644 A 93 ILE HG2% A 94 VAL H 1.0 . 3.68 1792 1645 A 101 ILE HD1% A 74 TYR HB3 1.0 . 5.50 1793 1646 A 93 ILE HD1% A 42 LYS HE2 1.0 . 5.50 1794 1647 A 93 ILE HD1% A 91 GLY HAx 1.0 . 5.50 1795 1648 A 93 ILE HD1% A 92 ILE HA 1.0 . 5.50 1796 1649 A 101 ILE HD1% A 100 LYS HA 1.0 . 5.50 1797 1650 A 101 ILE HD1% A 72 PRO HA 1.0 . 5.49 1798 1651 A 42 LYS H A 93 ILE HD1% 1.0 . 5.50 1799 1652 A 41 VAL HG1% A 94 VAL HG1% 1.0 . 4.54 1800 1653 A 94 VAL HG1% A 83 ALA HB% 1.0 . 3.82 1801 1654 A 94 VAL HG1% A 66 SER HBy 1.0 . 5.34 1802 1655 A 94 VAL HG1% A 96 TYR HA 1.0 . 5.50 1803 1656 A 94 VAL HG1% A 43 VAL HA 1.0 . 4.66 1804 1657 A 94 VAL HG1% A 96 TYR HD% 1.0 . 4.56 1805 1658 A 94 VAL HG1% A 83 ALA H 1.0 . 4.69 1806 1659 A 94 VAL HG1% A 82 ASN H 1.0 . 5.33 1807 1660 A 94 VAL HG1% A 95 ARG H 1.0 . 3.98 1808 1661 A 94 VAL HG1% A 96 TYR H 1.0 . 5.31 1809 1662 A 94 VAL HG2% A 82 ASN HB2 1.0 . 5.50 1810 1663 A 97 ILE HD1% A 95 ARG HGx 1.0 . 3.90 1811 1663 A 95 ARG HGy A 97 ILE HD1% 1.0 . 3.90 1812 1664 A 44 GLU H A 95 ARG HGx 1.0 . 5.76 1813 1664 A 95 ARG HGy A 44 GLU H 1.0 . 5.76 1814 1665 A 46 VAL H A 95 ARG HGx 1.0 . 5.50 1815 1665 A 95 ARG HGy A 46 VAL H 1.0 . 5.50 1816 1666 A 97 ILE HD1% A 95 ARG HDx 1.0 . 3.89 1817 1666 A 97 ILE HD1% A 95 ARG HDy 1.0 . 3.89 1818 1667 A 95 ARG HH2% A 95 ARG HDx 1.0 . 5.24 1819 1667 A 95 ARG HDy A 95 ARG HH2% 1.0 . 5.24 1820 1668 A 46 VAL H A 95 ARG HDx 1.0 . 6.19 1821 1668 A 46 VAL H A 95 ARG HDy 1.0 . 6.19 1822 1669 A 97 ILE HG2% A 77 ARG HB3 1.0 . 4.62 1823 1670 A 97 ILE HG2% A 77 ARG HDx 1.0 . 4.41 1824 1671 A 97 ILE HG2% A 98 TYR HA 1.0 . 5.46 1825 1672 A 97 ILE HG2% A 77 ARG HH1% 1.0 . 5.04 1826 1673 A 78 GLU H A 97 ILE HG2% 1.0 . 5.50 1827 1674 A 98 TYR HD% A 97 ILE HG2% 1.0 . 5.50 1828 1675 A 97 ILE HG2% A 77 ARG HH2% 1.0 . 5.54 1829 1676 A 98 TYR H A 97 ILE HG2% 1.0 . 3.81 1830 1677 A 48 ALA HA A 97 ILE HD1% 1.0 . 4.97 1831 1678 A 96 TYR HA A 97 ILE HD1% 1.0 . 4.71 1832 1679 A 97 ILE HD1% A 77 ARG HH1% 1.0 . 5.43 1833 1680 A 95 ARG HE A 97 ILE HD1% 1.0 . 5.82 1834 1681 A 98 TYR H A 97 ILE HD1% 1.0 . 5.05 1835 1682 A 98 TYR H A 97 ILE HG1x 1.0 . 5.77 1836 1683 A 74 TYR HE% A 100 LYS HGy 1.0 . 4.34 1837 1684 A 101 ILE H A 100 LYS HGx 1.0 . 4.56 1838 1685 A 74 TYR HE% A 100 LYS HDy 1.0 . 4.65 1839 1686 A 101 ILE H A 100 LYS HDy 1.0 . 5.69 1840 1687 A 74 TYR HE% A 100 LYS HDx 1.0 . 4.65 1841 1688 A 101 ILE H A 100 LYS HDx 1.0 . 5.69 1842 1689 A 102 ILE HD1% A 100 LYS HEx 1.0 . 4.41 1843 1689 A 100 LYS HEy A 102 ILE HD1% 1.0 . 4.41 1844 1690 A 101 ILE HG2% A 75 LYS HB2 1.0 . 4.81 1845 1691 A 101 ILE HG2% A 75 LYS HB3 1.0 . 5.37 1846 1692 A 102 ILE HB A 101 ILE HG2% 1.0 . 5.50 1847 1693 A 101 ILE HG2% A 103 ASP HBx 1.0 . 5.33 1848 1694 A 101 ILE HG2% A 75 LYS HEx 1.0 . 5.53 1849 1694 A 101 ILE HG2% A 75 LYS HEy 1.0 . 5.53 1850 1695 A 101 ILE HG2% A 73 GLY HA2 1.0 . 5.62 1851 1696 A 102 ILE HA A 101 ILE HG2% 1.0 . 4.72 1852 1697 A 101 ILE HG2% A 103 ASP HA 1.0 . 4.53 1853 1698 A 101 ILE HG2% A 74 TYR HA 1.0 . 5.31 1854 1699 A 75 LYS H A 101 ILE HG2% 1.0 . 5.24 1855 1700 A 101 ILE HG2% A 100 LYS HA 1.0 . 5.47 1856 1701 A 74 TYR HD% A 101 ILE HG13 1.0 . 6.03 1857 1702 A 102 ILE H A 101 ILE HG13 1.0 . 5.29 1858 1703 A 75 LYS H A 101 ILE HG13 1.0 . 4.48 1859 1704 A 101 ILE HG12 A 74 TYR HA 1.0 . 4.65 1860 1705 A 101 ILE HG12 A 102 ILE H 1.0 . 5.24 1861 1706 A 101 ILE HD1% A 75 LYS HB3 1.0 . 4.36 1862 1707 A 101 ILE HD1% A 75 LYS HEx 1.0 . 4.86 1863 1707 A 101 ILE HD1% A 75 LYS HEy 1.0 . 4.86 1864 1708 A 101 ILE HD1% A 74 TYR HA 1.0 . 4.63 1865 1709 A 101 ILE HD1% A 73 GLY H 1.0 . 4.72 1866 1710 A 103 ASP H A 104 VAL HG2% 1.0 . 5.40 1867 1711 A 105 SER H A 104 VAL HG2% 1.0 . 5.13 1868 1712 A 41 VAL HG1% A 43 VAL HG2% 1.0 . 3.55 1869 1713 A 59 LEU HG A 43 VAL HG2% 1.0 . 3.87 1870 1714 A 43 VAL HG2% A 59 LEU HB2 1.0 . 4.71 1871 1715 A 43 VAL HG2% A 57 ASP HB2 1.0 . 4.61 1872 1716 A 43 VAL HG2% A 57 ASP HB3 1.0 . 4.74 1873 1717 A 105 SER HBx A 107 VAL HGx% 1.0 . 5.00 1874 1717 A 105 SER HBy A 107 VAL HGx% 1.0 . 5.00 1875 1717 A 107 VAL HGy% A 105 SER HBx 1.0 . 5.00 1876 1717 A 107 VAL HGy% A 105 SER HBy 1.0 . 5.00 1877 1718 A 43 VAL HG2% A 66 SER HBx 1.0 . 3.95 1878 1719 A 43 VAL HG2% A 66 SER HBy 1.0 . 3.95 1879 1720 A 43 VAL HG2% A 43 VAL HA 1.0 . 3.52 1880 1721 A 43 VAL HG2% A 96 TYR HE% 1.0 . 4.70 1881 1722 A 43 VAL HG2% A 94 VAL H 1.0 . 4.70 1882 1723 A 110 THR HG2% A 109 GLU HGy 1.0 . 6.04 1883 1724 A 110 THR HG2% A 109 GLU HGx 1.0 . 6.04 1884 1725 A 115 LEU HD2% A 116 PRO HGx 1.0 . 5.17 1885 1725 A 115 LEU HD2% A 116 PRO HGy 1.0 . 5.17 1886 1726 A 115 LEU HD2% A 116 PRO HD3 1.0 . 5.27 1887 1727 A 116 PRO HD3 A 115 LEU HB3 1.0 . 4.95 1888 1728 A 115 LEU HB2 A 116 PRO HD3 1.0 . 5.46 1889 1729 A 115 LEU HG A 116 PRO HD3 1.0 . 5.50 1890 1730 A 115 LEU HB3 A 116 PRO HD2 1.0 . 4.30 1891 1731 A 115 LEU HB2 A 116 PRO HD2 1.0 . 5.50 1892 1732 A 115 LEU HG A 116 PRO HD2 1.0 . 5.50 1893 1733 A 115 LEU H A 116 PRO HD2 1.0 . 5.88 1894 1734 A 114 LEU HD1% A 113 ASP HA 1.0 . 5.50 1895 1735 A 114 LEU HD1% A 115 LEU HA 1.0 . 5.50 1896 1736 A 76 LEU HD1% A 68 PRO HBx 1.0 . 5.11 1897 1737 A 76 LEU HD1% A 96 TYR HB2 1.0 . 4.22 1898 1738 A 76 LEU HD1% A 79 ILE HA 1.0 . 4.39 1899 1739 A 76 LEU HD1% A 98 TYR HA 1.0 . 4.47 1900 1740 A 76 LEU HD1% A 96 TYR HE% 1.0 . 4.47 1901 1741 A 76 LEU HD1% A 96 TYR HD% 1.0 . 3.07 1902 1742 A 76 LEU HD1% A 97 ILE H 1.0 . 4.19 1903 1743 A 76 LEU HD1% A 77 ARG H 1.0 . 3.63 1904 1744 A 76 LEU HD2% A 68 PRO HBy 1.0 . 4.18 1905 1745 A 76 LEU HD2% A 68 PRO HG2 1.0 . 4.37 1906 1746 A 80 PRO HG2 A 96 TYR HE% 1.0 . 5.50 1907 1747 A 98 TYR HE% A 76 LEU HD2% 1.0 . 4.89 1908 1748 A 76 LEU HG A 77 ARG HB3 1.0 . 5.50 1909 1749 A 77 ARG H A 76 LEU HG 1.0 . 4.39 1910 1750 A 76 LEU HG A 96 TYR HE% 1.0 . 6.13 1911 1751 A 79 ILE H A 76 LEU HG 1.0 . 5.50 1912 1752 A 97 ILE H A 76 LEU HG 1.0 . 5.50 1913 1753 A 102 ILE HD1% A 100 LYS HBx 1.0 . 4.73 1914 1753 A 100 LYS HBy A 102 ILE HD1% 1.0 . 4.73 1915 1754 A 100 LYS H A 102 ILE HD1% 1.0 . 5.61 1916 1755 A 115 LEU HA A 116 PRO HD2 1.0 . 3.38 1917 1756 A 115 LEU HA A 116 PRO HD3 1.0 . 3.32 1918 1757 A 115 LEU HD2% A 116 PRO HD2 1.0 . 4.51 1919 1758 A 115 LEU HD1% A 116 PRO HD2 1.0 . 5.87 1920 1759 A 114 LEU HG A 113 ASP HA 1.0 . 5.74 1921 1760 A 43 VAL HG2% A 59 LEU HB3 1.0 . 5.08 1922 1761 A 104 VAL HG1% A 106 TYR HD% 1.0 . 5.17 1923 1762 A 77 ARG HE A 48 ALA HB% 1.0 . 5.62 1924 1763 A 44 GLU HA A 56 SER HBx 1.0 . 4.76 1925 1763 A 56 SER HBy A 44 GLU HA 1.0 . 4.76 1926 1764 A 41 VAL HG2% A 64 TYR HE% 1.0 . 5.88 1927 1765 A 93 ILE HD1% A 95 ARG HH2% 1.0 . 5.88 1928 1766 A 93 ILE HD1% A 95 ARG HH1% 1.0 . 5.71 1929 1767 A 40 THR HG2% A 39 PHE HB2 1.0 . 5.67 1930 1768 A 40 THR HG2% A 38 ASN HBy 1.0 . 5.83 1931 1769 A 40 THR HG2% A 38 ASN HBx 1.0 . 5.83 1932 1770 A 41 VAL HG1% A 92 ILE HD1% 1.0 . 5.39 1933 1771 A 42 LYS HE2 A 42 LYS HBx 1.0 . 5.82 1934 1771 A 42 LYS HBy A 42 LYS HE2 1.0 . 5.82 1935 1772 A 44 GLU HB3 A 95 ARG HGx 1.0 . 4.77 1936 1772 A 95 ARG HGy A 44 GLU HB3 1.0 . 4.77 1937 1773 A 43 VAL HG1% A 44 GLU HB3 1.0 . 5.50 1938 1774 A 46 VAL HG2% A 44 GLU HB3 1.0 . 5.50 1939 1775 A 46 VAL HB A 53 ILE HG1x 1.0 . 5.91 1940 1775 A 46 VAL HB A 53 ILE HG1y 1.0 . 5.91 1941 1776 A 46 VAL HB A 53 ILE H 1.0 . 5.58 1942 1777 A 46 VAL HG2% A 52 GLU HA 1.0 . 5.50 1943 1778 A 46 VAL HG2% A 96 TYR HA 1.0 . 5.50 1944 1779 A 51 ALA HB% A 49 ASP HB2 1.0 . 4.88 1945 1780 A 51 ALA HB% A 49 ASP HB3 1.0 . 4.92 1946 1781 A 42 LYS HG2 A 56 SER HBx 1.0 . 4.70 1947 1781 A 56 SER HBy A 42 LYS HG2 1.0 . 4.70 1948 1782 A 43 VAL HG2% A 58 THR HA 1.0 . 5.16 1949 1783 A 87 ILE HG13 A 64 TYR HBx 1.0 . 5.83 1950 1784 A 84 THR HA A 65 VAL HA 1.0 . 3.87 1951 1785 A 98 TYR HD% A 74 TYR HB3 1.0 . 5.19 1952 1786 A 83 ALA H A 82 ASN HB2 1.0 . 5.50 1953 1787 A 82 ASN HB2 A 81 HIS HD2 1.0 . 5.50 1954 1788 A 95 ARG H A 96 TYR HE% 1.0 . 5.50 1955 1789 A 96 TYR HE% A 79 ILE HG1x 1.0 . 5.13 1956 1790 A 96 TYR HE% A 79 ILE HD1% 1.0 . 4.20 1957 1791 A 96 TYR HE% A 66 SER HBy 1.0 . 4.27 1958 1792 A 80 PRO HD2 A 96 TYR HE% 1.0 . 4.08 1959 1793 A 96 TYR HE% A 79 ILE HG1y 1.0 . 5.13 1960 1794 A 94 VAL HG1% A 96 TYR HE% 1.0 . 3.71 1961 1795 A 68 PRO HA A 96 TYR HE% 1.0 . 4.66 1962 1796 A 67 THR H A 96 TYR HE% 1.0 . 5.00 1963 1797 A 43 VAL HA A 96 TYR HE% 1.0 . 5.50 1964 1798 A 66 SER HA A 96 TYR HE% 1.0 . 5.50 1965 1799 A 96 TYR H A 96 TYR HE% 1.0 . 6.09 1966 1800 A 74 TYR HE% A 100 LYS HBx 1.0 . 3.60 1967 1800 A 74 TYR HE% A 100 LYS HBy 1.0 . 3.60 1968 1801 A 74 TYR HE% A 47 ASP HBx 1.0 . 3.91 1969 1802 A 74 TYR HE% A 100 LYS HGx 1.0 . 4.34 1970 1803 A 74 TYR HE% A 53 ILE HA 1.0 . 5.87 1971 1804 A 74 TYR HE% A 99 ASP HA 1.0 . 5.57 1972 1805 A 74 TYR HE% A 73 GLY HA3 1.0 . 5.45 1973 1806 A 74 TYR HE% A 53 ILE HD1% 1.0 . 3.95 1974 1807 A 74 TYR HE% A 100 LYS HEx 1.0 . 4.19 1975 1807 A 74 TYR HE% A 100 LYS HEy 1.0 . 4.19 1976 1808 A 74 TYR HE% A 53 ILE HG1x 1.0 . 5.50 1977 1808 A 74 TYR HE% A 53 ILE HG1y 1.0 . 5.50 1978 1809 A 74 TYR HE% A 74 TYR H 1.0 . 5.30 1979 1810 A 74 TYR HE% A 74 TYR HA 1.0 . 4.80 1980 1811 A 74 TYR HE% A 75 LYS H 1.0 . 5.50 1981 1812 A 74 TYR HE% A 98 TYR H 1.0 . 5.60 1982 1813 A 74 TYR HE% A 101 ILE H 1.0 . 5.48 1983 1814 A 100 LYS H A 74 TYR HD% 1.0 . 4.67 1984 1815 A 74 TYR HD% A 71 ILE HD1% 1.0 . 4.92 1985 1816 A 74 TYR HD% A 100 LYS HBx 1.0 . 4.28 1986 1816 A 74 TYR HD% A 100 LYS HBy 1.0 . 4.28 1987 1817 A 74 TYR HD% A 100 LYS HA 1.0 . 3.78 1988 1818 A 99 ASP H A 74 TYR HD% 1.0 . 5.15 1989 1819 A 74 TYR HD% A 53 ILE HD1% 1.0 . 3.83 1990 1820 A 74 TYR HD% A 74 TYR H 1.0 . 3.86 1991 1821 A 74 TYR HD% A 53 ILE HG1x 1.0 . 5.39 1992 1821 A 74 TYR HD% A 53 ILE HG1y 1.0 . 5.39 1993 1822 A 74 TYR HD% A 71 ILE HB 1.0 . 4.53 1994 1823 A 74 TYR HD% A 74 TYR HA 1.0 . 4.22 1995 1824 A 74 TYR HD% A 98 TYR HA 1.0 . 5.84 1996 1825 A 74 TYR HD% A 47 ASP HA 1.0 . 5.00 1997 1826 A 74 TYR HD% A 71 ILE HG2% 1.0 . 3.24 1998 1827 A 101 ILE H A 74 TYR HD% 1.0 . 4.83 1999 1828 A 86 ASN HA A 62 TYR HD% 1.0 . 5.63 2000 1829 A 62 TYR HD% A 87 ILE HG2% 1.0 . 5.10 2001 1830 A 62 TYR HD% A 88 THR HA 1.0 . 5.71 2002 1831 A 62 TYR HD% A 63 HIS H 1.0 . 4.67 2003 1832 A 62 TYR HD% A 88 THR HG2% 1.0 . 5.43 2004 1833 A 62 TYR HD% A 63 HIS HE1 1.0 . 5.63 2005 1834 A 62 TYR H A 62 TYR HD% 1.0 . 4.66 2006 1835 A 96 TYR HD% A 94 VAL HB 1.0 . 5.50 2007 1836 A 98 TYR HE% A 98 TYR HH 1.0 . 3.34 2008 1837 A 39 PHE HD% A 38 ASN HA 1.0 . 5.38 2009 1838 A 89 ASP HA A 39 PHE HD% 1.0 . 5.50 2010 1839 A 63 HIS HA A 63 HIS HD2 1.0 . 5.16 2011 1840 A 87 ILE H A 62 TYR HE% 1.0 . 4.86 2012 1841 A 107 VAL H A 106 TYR HD% 1.0 . 5.10 2013 1842 A 80 PRO HD3 A 96 TYR HD% 1.0 . 4.76 2014 1843 A 96 TYR HD% A 98 TYR HH 1.0 . 5.96 2015 1844 A 98 TYR HE% A 45 TYR HD% 1.0 . 3.65 2016 1845 A 104 VAL HG1% A 106 TYR HE% 1.0 . 5.38 2017 1846 A 104 VAL HG2% A 106 TYR HE% 1.0 . 5.50 2018 1847 A 63 HIS HD2 A 65 VAL HG2% 1.0 . 4.35 2019 1848 A 45 TYR HE% A 69 LYS HEy 1.0 . 5.08 2020 1849 A 59 LEU HD1% A 64 TYR HD% 1.0 . 4.26 2021 1850 A 98 TYR HE% A 45 TYR HB2 1.0 . 4.78 2022 1851 A 106 TYR HA A 106 TYR HE% 1.0 . 4.99 2023 1852 A 63 HIS HD2 A 88 THR HG2% 1.0 . 5.91 2024 1853 A 98 TYR HE% A 68 PRO HBx 1.0 . 5.50 2025 1854 A 68 PRO HA A 45 TYR HE% 1.0 . 3.92 2026 1855 A 106 TYR H A 106 TYR HD% 1.0 . 4.63 2027 1856 A 95 ARG H A 96 TYR HD% 1.0 . 5.50 2028 1857 A 98 TYR HE% A 45 TYR HA 1.0 . 4.24 2029 1858 A 76 LEU HD2% A 96 TYR HE% 1.0 . 3.99 2030 1859 A 85 GLY H A 63 HIS HD2 1.0 . 5.46 2031 1860 A 56 SER HA A 45 TYR HE% 1.0 . 4.49 2032 1861 A 39 PHE HE% A 37 ASN HBy 1.0 . 5.50 2033 1862 A 39 PHE HE% A 37 ASN HBx 1.0 . 5.50 2034 1863 A 62 TYR HD% A 63 HIS HD2 1.0 . 5.10 2035 1864 A 63 HIS HA A 62 TYR HE% 1.0 . 5.87 2036 1865 A 76 LEU HB2 A 96 TYR HD% 1.0 . 5.50 2037 1866 A 76 LEU HG A 96 TYR HD% 1.0 . 5.50 2038 1867 A 98 TYR HE% A 45 TYR HB3 1.0 . 4.15 2039 1868 A 98 TYR HE% A 76 LEU HA 1.0 . 5.44 2040 1869 A 69 LYS H A 45 TYR HE% 1.0 . 4.08 2041 1870 A 90 THR HG2% A 39 PHE HE% 1.0 . 4.28 2042 1871 A 96 TYR HD% A 80 PRO HG3 1.0 . 5.21 2043 1872 A 96 TYR HD% A 83 ALA HB% 1.0 . 5.50 2044 1873 A 39 PHE HD% A 39 PHE HA 1.0 . 3.74 2045 1874 A 96 TYR HE% A 67 THR HA 1.0 . 5.40 2046 1875 A 62 TYR HE% A 63 HIS HBx 1.0 . 5.43 2047 1875 A 63 HIS HBy A 62 TYR HE% 1.0 . 5.43 2048 1876 A 98 TYR HE% A 69 LYS H 1.0 . 4.48 2049 1877 A 57 ASP H A 45 TYR HE% 1.0 . 4.39 2050 1878 A 90 THR HB A 39 PHE HE% 1.0 . 4.92 2051 1879 A 63 HIS HD2 A 63 HIS H 1.0 . 5.45 2052 1880 A 98 TYR HH A 45 TYR HE% 1.0 . 5.50 2053 1881 A 87 ILE HG12 A 62 TYR HD% 1.0 . 6.22 2054 1882 A 76 LEU HD2% A 96 TYR HD% 1.0 . 4.39 2055 1883 A 98 TYR HE% A 96 TYR H 1.0 . 5.11 2056 1884 A 90 THR HG2% A 39 PHE HZ 1.0 . 4.81 2057 1885 A 62 TYR HE% A 86 ASN HBy 1.0 . 5.00 2058 1886 A 98 TYR HE% A 53 ILE HD1% 1.0 . 4.77 2059 1887 A 81 HIS HA A 81 HIS HD2 1.0 . 5.51 2060 1888 A 96 TYR HA A 96 TYR HD% 1.0 . 4.26 2061 1889 A 39 PHE HD% A 37 ASN HBy 1.0 . 5.50 2062 1890 A 82 ASN HB3 A 81 HIS HE1 1.0 . 5.50 2063 1891 A 96 TYR HD% A 45 TYR HA 1.0 . 5.88 2064 1892 A 39 PHE HA A 39 PHE HE% 1.0 . 4.66 2065 1893 A 65 VAL HG2% A 63 HIS HE1 1.0 . 6.10 2066 1894 A 62 TYR HE% A 87 ILE HB 1.0 . 4.78 2067 1895 A 86 ASN H A 62 TYR HE% 1.0 . 5.69 2068 1896 A 90 THR H A 39 PHE HE% 1.0 . 5.09 2069 1897 A 96 TYR HD% A 95 ARG HA 1.0 . 5.50 2070 1898 A 39 PHE HD% A 90 THR HB 1.0 . 5.25 2071 1899 A 98 TYR HE% A 76 LEU HD1% 1.0 . 4.39 2072 1900 A 98 TYR HE% A 69 LYS HB2 1.0 . 5.43 2073 1901 A 39 PHE HD% A 90 THR HA 1.0 . 5.36 2074 1902 A 98 TYR HE% A 71 ILE HG1y 1.0 . 5.50 2075 1903 A 82 ASN HB3 A 81 HIS HD2 1.0 . 5.50 2076 1904 A 106 TYR HA A 106 TYR HD% 1.0 . 3.88 2077 1905 A 98 TYR HE% A 53 ILE HG1x 1.0 . 5.50 2078 1905 A 98 TYR HE% A 53 ILE HG1y 1.0 . 5.50 2079 1906 A 98 TYR HE% A 71 ILE HG1x 1.0 . 5.50 2080 1907 A 98 TYR HE% A 96 TYR HB2 1.0 . 3.92 2081 1908 A 98 TYR HE% A 71 ILE H 1.0 . 4.87 2082 1909 A 96 TYR H A 96 TYR HD% 1.0 . 4.20 2083 1910 A 39 PHE H A 39 PHE HD% 1.0 . 4.44 2084 1911 A 89 ASP HA A 39 PHE HE% 1.0 . 4.45 2085 1912 A 62 TYR HE% A 88 THR HA 1.0 . 4.37 2086 1913 A 62 TYR HE% A 63 HIS HE1 1.0 . 4.72 2087 1914 A 98 TYR HE% A 54 ALA HB% 1.0 . 5.40 2088 1915 A 43 VAL HB A 45 TYR HE% 1.0 . 5.29 2089 1916 A 62 TYR HE% A 88 THR HG2% 1.0 . 4.08 2090 1917 A 62 TYR HE% A 62 TYR HA 1.0 . 4.79 2091 1918 A 63 HIS HA A 62 TYR HD% 1.0 . 5.45 2092 1919 A 36 THR HG2% A 35 ASP HBy 1.0 . 5.56 2093 1919 A 36 THR HG2% A 35 ASP HBx 1.0 . 5.56 2094 1920 A 37 ASN HA A 38 ASN HBy 1.0 . 5.34 2095 1920 A 37 ASN HA A 38 ASN HBx 1.0 . 5.34 2096 1921 A 38 ASN H A 37 ASN HBx 1.0 . 4.42 2097 1921 A 38 ASN H A 37 ASN HBy 1.0 . 4.42 2098 1922 A 39 PHE H A 37 ASN HBx 1.0 . 4.77 2099 1922 A 39 PHE H A 37 ASN HBy 1.0 . 4.77 2100 1923 A 39 PHE HE% A 37 ASN HBx 1.0 . 4.84 2101 1923 A 39 PHE HE% A 37 ASN HBy 1.0 . 4.84 2102 1924 A 39 PHE HZ A 37 ASN HBx 1.0 . 5.38 2103 1924 A 39 PHE HZ A 37 ASN HBy 1.0 . 5.38 2104 1925 A 39 PHE H A 38 ASN HBy 1.0 . 4.27 2105 1925 A 39 PHE H A 38 ASN HBx 1.0 . 4.27 2106 1926 A 39 PHE HD% A 38 ASN HBy 1.0 . 5.38 2107 1926 A 39 PHE HD% A 38 ASN HBx 1.0 . 5.38 2108 1927 A 40 THR HG2% A 38 ASN HBy 1.0 . 5.14 2109 1927 A 40 THR HG2% A 38 ASN HBx 1.0 . 5.14 2110 1928 A 40 THR HG2% A 38 ASN HD2y 1.0 . 5.42 2111 1928 A 38 ASN HD2x A 40 THR HG2% 1.0 . 5.42 2112 1929 A 39 PHE HE% A 89 ASP HBx 1.0 . 6.02 2113 1929 A 39 PHE HE% A 89 ASP HBy 1.0 . 6.02 2114 1930 A 41 VAL HG1% A 64 TYR HBy 1.0 . 5.34 2115 1930 A 41 VAL HG1% A 64 TYR HBx 1.0 . 5.34 2116 1931 A 41 VAL HG1% A 66 SER HBy 1.0 . 5.34 2117 1931 A 41 VAL HG1% A 66 SER HBx 1.0 . 5.34 2118 1932 A 41 VAL HG2% A 64 TYR HBy 1.0 . 4.46 2119 1932 A 41 VAL HG2% A 64 TYR HBx 1.0 . 4.46 2120 1933 A 42 LYS HA A 42 LYS HDx 1.0 . 4.71 2121 1933 A 42 LYS HA A 42 LYS HDy 1.0 . 4.71 2122 1934 A 44 GLU HG2 A 42 LYS HDx 1.0 . 4.59 2123 1934 A 44 GLU HG2 A 42 LYS HDy 1.0 . 4.59 2124 1935 A 93 ILE HA A 42 LYS HDx 1.0 . 5.34 2125 1935 A 93 ILE HA A 42 LYS HDy 1.0 . 5.34 2126 1936 A 93 ILE HG2% A 42 LYS HDx 1.0 . 4.69 2127 1936 A 93 ILE HG2% A 42 LYS HDy 1.0 . 4.69 2128 1937 A 93 ILE HD1% A 42 LYS HDx 1.0 . 4.41 2129 1937 A 93 ILE HD1% A 42 LYS HDy 1.0 . 4.41 2130 1938 A 43 VAL HG1% A 66 SER HBy 1.0 . 3.75 2131 1938 A 43 VAL HG1% A 66 SER HBx 1.0 . 3.75 2132 1939 A 45 TYR HD% A 69 LYS HDy 1.0 . 5.89 2133 1939 A 45 TYR HD% A 69 LYS HDx 1.0 . 5.89 2134 1940 A 45 TYR HE% A 69 LYS HGy 1.0 . 4.71 2135 1940 A 45 TYR HE% A 69 LYS HGx 1.0 . 4.71 2136 1941 A 45 TYR HE% A 69 LYS HDy 1.0 . 5.66 2137 1941 A 45 TYR HE% A 69 LYS HDx 1.0 . 5.66 2138 1942 A 45 TYR HE% A 69 LYS HEx 1.0 . 4.45 2139 1942 A 45 TYR HE% A 69 LYS HEy 1.0 . 4.45 2140 1943 A 46 VAL HA A 47 ASP HBy 1.0 . 5.34 2141 1943 A 46 VAL HA A 47 ASP HBx 1.0 . 5.34 2142 1944 A 47 ASP H A 47 ASP HBy 1.0 . 3.61 2143 1944 A 47 ASP H A 47 ASP HBx 1.0 . 3.61 2144 1945 A 48 ALA H A 47 ASP HBy 1.0 . 3.24 2145 1945 A 48 ALA H A 47 ASP HBx 1.0 . 3.24 2146 1946 A 48 ALA HB% A 47 ASP HBy 1.0 . 4.59 2147 1946 A 48 ALA HB% A 47 ASP HBx 1.0 . 4.59 2148 1947 A 49 ASP H A 47 ASP HBy 1.0 . 4.63 2149 1947 A 49 ASP H A 47 ASP HBx 1.0 . 4.63 2150 1948 A 51 ALA H A 47 ASP HBy 1.0 . 6.03 2151 1948 A 51 ALA H A 47 ASP HBx 1.0 . 6.03 2152 1949 A 53 ILE HB A 47 ASP HBy 1.0 . 5.34 2153 1949 A 53 ILE HB A 47 ASP HBx 1.0 . 5.34 2154 1950 A 53 ILE HG2% A 47 ASP HBy 1.0 . 3.33 2155 1950 A 53 ILE HG2% A 47 ASP HBx 1.0 . 3.33 2156 1951 A 47 ASP HBy A 53 ILE HG1x 1.0 . 5.34 2157 1951 A 53 ILE HG1y A 47 ASP HBy 1.0 . 5.34 2158 1951 A 53 ILE HG1y A 47 ASP HBx 1.0 . 5.34 2159 1951 A 47 ASP HBx A 53 ILE HG1x 1.0 . 5.34 2160 1952 A 53 ILE HD1% A 47 ASP HBy 1.0 . 4.23 2161 1952 A 53 ILE HD1% A 47 ASP HBx 1.0 . 4.23 2162 1953 A 74 TYR HD% A 47 ASP HBy 1.0 . 4.75 2163 1953 A 74 TYR HD% A 47 ASP HBx 1.0 . 4.75 2164 1954 A 74 TYR HE% A 47 ASP HBy 1.0 . 3.28 2165 1954 A 74 TYR HE% A 47 ASP HBx 1.0 . 3.28 2166 1955 A 98 TYR H A 47 ASP HBy 1.0 . 5.34 2167 1955 A 98 TYR H A 47 ASP HBx 1.0 . 5.34 2168 1956 A 100 LYS H A 47 ASP HBy 1.0 . 5.58 2169 1956 A 100 LYS H A 47 ASP HBx 1.0 . 5.58 2170 1957 A 48 ALA HB% A 77 ARG HDx 1.0 . 5.34 2171 1957 A 48 ALA HB% A 77 ARG HDy 1.0 . 5.34 2172 1958 A 48 ALA HB% A 99 ASP HBy 1.0 . 5.41 2173 1958 A 48 ALA HB% A 99 ASP HBx 1.0 . 5.41 2174 1959 A 53 ILE HD1% A 71 ILE HG1y 1.0 . 4.90 2175 1959 A 53 ILE HD1% A 71 ILE HG1x 1.0 . 4.90 2176 1960 A 54 ALA H A 55 PRO HDy 1.0 . 5.19 2177 1960 A 54 ALA H A 55 PRO HDx 1.0 . 5.19 2178 1961 A 54 ALA HA A 55 PRO HGx 1.0 . 5.11 2179 1961 A 54 ALA HA A 55 PRO HGy 1.0 . 5.11 2180 1962 A 54 ALA HA A 55 PRO HDy 1.0 . 3.06 2181 1962 A 54 ALA HA A 55 PRO HDx 1.0 . 3.06 2182 1963 A 54 ALA HB% A 55 PRO HDy 1.0 . 3.20 2183 1963 A 54 ALA HB% A 55 PRO HDx 1.0 . 3.20 2184 1964 A 54 ALA HB% A 69 LYS HDy 1.0 . 3.72 2185 1964 A 54 ALA HB% A 69 LYS HDx 1.0 . 3.72 2186 1965 A 54 ALA HB% A 69 LYS HEx 1.0 . 4.56 2187 1965 A 54 ALA HB% A 69 LYS HEy 1.0 . 4.56 2188 1966 A 56 SER H A 55 PRO HGx 1.0 . 4.88 2189 1966 A 56 SER H A 55 PRO HGy 1.0 . 4.88 2190 1967 A 71 ILE HD1% A 55 PRO HDy 1.0 . 5.35 2191 1967 A 71 ILE HD1% A 55 PRO HDx 1.0 . 5.35 2192 1968 A 59 LEU HB2 A 64 TYR HBy 1.0 . 5.34 2193 1968 A 59 LEU HB2 A 64 TYR HBx 1.0 . 5.34 2194 1969 A 59 LEU HB3 A 64 TYR HBy 1.0 . 5.67 2195 1969 A 59 LEU HB3 A 64 TYR HBx 1.0 . 5.67 2196 1970 A 59 LEU HD1% A 64 TYR HBy 1.0 . 3.67 2197 1970 A 59 LEU HD1% A 64 TYR HBx 1.0 . 3.67 2198 1971 A 59 LEU HD1% A 66 SER HBy 1.0 . 3.68 2199 1971 A 59 LEU HD1% A 66 SER HBx 1.0 . 3.68 2200 1972 A 59 LEU HD2% A 64 TYR HBy 1.0 . 5.04 2201 1972 A 59 LEU HD2% A 64 TYR HBx 1.0 . 5.04 2202 1973 A 61 ASP H A 64 TYR HBy 1.0 . 5.77 2203 1973 A 61 ASP H A 64 TYR HBx 1.0 . 5.77 2204 1974 A 62 TYR HD% A 86 ASN HBx 1.0 . 5.54 2205 1974 A 62 TYR HD% A 86 ASN HBy 1.0 . 5.54 2206 1975 A 62 TYR HE% A 86 ASN HBx 1.0 . 4.16 2207 1975 A 62 TYR HE% A 86 ASN HBy 1.0 . 4.16 2208 1976 A 86 ASN HD2y A 62 TYR HE% 1.0 . 5.60 2209 1976 A 86 ASN HD2x A 62 TYR HE% 1.0 . 5.60 2210 1977 A 65 VAL H A 64 TYR HBy 1.0 . 3.92 2211 1977 A 65 VAL H A 64 TYR HBx 1.0 . 3.92 2212 1978 A 86 ASN HA A 64 TYR HBy 1.0 . 5.34 2213 1978 A 86 ASN HA A 64 TYR HBx 1.0 . 5.34 2214 1979 A 87 ILE H A 64 TYR HBy 1.0 . 5.34 2215 1979 A 87 ILE H A 64 TYR HBx 1.0 . 5.34 2216 1980 A 87 ILE HG13 A 64 TYR HBy 1.0 . 5.12 2217 1980 A 87 ILE HG13 A 64 TYR HBx 1.0 . 5.12 2218 1981 A 87 ILE HD1% A 64 TYR HBy 1.0 . 4.03 2219 1981 A 87 ILE HD1% A 64 TYR HBx 1.0 . 4.03 2220 1982 A 94 VAL HG2% A 64 TYR HBy 1.0 . 5.34 2221 1982 A 94 VAL HG2% A 64 TYR HBx 1.0 . 5.34 2222 1983 A 64 TYR HD% A 66 SER HBy 1.0 . 5.34 2223 1983 A 64 TYR HD% A 66 SER HBx 1.0 . 5.34 2224 1984 A 67 THR H A 66 SER HBy 1.0 . 3.74 2225 1984 A 67 THR H A 66 SER HBx 1.0 . 3.74 2226 1985 A 94 VAL HG1% A 66 SER HBy 1.0 . 4.63 2227 1985 A 94 VAL HG1% A 66 SER HBx 1.0 . 4.63 2228 1986 A 94 VAL HG2% A 66 SER HBy 1.0 . 5.54 2229 1986 A 94 VAL HG2% A 66 SER HBx 1.0 . 5.54 2230 1987 A 96 TYR HE% A 66 SER HBy 1.0 . 3.65 2231 1987 A 96 TYR HE% A 66 SER HBx 1.0 . 3.65 2232 1988 A 67 THR HB A 68 PRO HBx 1.0 . 5.34 2233 1988 A 67 THR HB A 68 PRO HBy 1.0 . 5.34 2234 1989 A 67 THR HB A 69 LYS HGy 1.0 . 5.14 2235 1989 A 67 THR HB A 69 LYS HGx 1.0 . 5.14 2236 1990 A 76 LEU H A 68 PRO HBx 1.0 . 5.34 2237 1990 A 76 LEU H A 68 PRO HBy 1.0 . 5.34 2238 1991 A 76 LEU HG A 68 PRO HBx 1.0 . 5.34 2239 1991 A 76 LEU HG A 68 PRO HBy 1.0 . 5.34 2240 1992 A 76 LEU HD2% A 68 PRO HBx 1.0 . 3.58 2241 1992 A 76 LEU HD2% A 68 PRO HBy 1.0 . 3.58 2242 1993 A 79 ILE HD1% A 68 PRO HBx 1.0 . 4.53 2243 1993 A 79 ILE HD1% A 68 PRO HBy 1.0 . 4.53 2244 1994 A 96 TYR HD% A 68 PRO HBx 1.0 . 4.83 2245 1994 A 96 TYR HD% A 68 PRO HBy 1.0 . 4.83 2246 1995 A 96 TYR HE% A 68 PRO HBx 1.0 . 4.55 2247 1995 A 96 TYR HE% A 68 PRO HBy 1.0 . 4.55 2248 1996 A 98 TYR HH A 68 PRO HBx 1.0 . 4.81 2249 1996 A 98 TYR HH A 68 PRO HBy 1.0 . 4.81 2250 1997 A 68 PRO HG3 A 79 ILE HG1y 1.0 . 4.27 2251 1997 A 68 PRO HG3 A 79 ILE HG1x 1.0 . 4.27 2252 1998 A 69 LYS H A 69 LYS HGy 1.0 . 4.19 2253 1998 A 69 LYS H A 69 LYS HGx 1.0 . 4.19 2254 1999 A 69 LYS H A 69 LYS HDy 1.0 . 5.88 2255 1999 A 69 LYS H A 69 LYS HDx 1.0 . 5.88 2256 2000 A 69 LYS HA A 69 LYS HGy 1.0 . 3.54 2257 2000 A 69 LYS HA A 69 LYS HGx 1.0 . 3.54 2258 2001 A 69 LYS HA A 69 LYS HDy 1.0 . 4.74 2259 2001 A 69 LYS HA A 69 LYS HDx 1.0 . 4.74 2260 2002 A 69 LYS HA A 69 LYS HEx 1.0 . 5.34 2261 2002 A 69 LYS HA A 69 LYS HEy 1.0 . 5.34 2262 2003 A 69 LYS HB2 A 69 LYS HEx 1.0 . 4.85 2263 2003 A 69 LYS HB2 A 69 LYS HEy 1.0 . 4.85 2264 2004 A 69 LYS HB2 A 71 ILE HG1y 1.0 . 4.69 2265 2004 A 69 LYS HB2 A 71 ILE HG1x 1.0 . 4.69 2266 2005 A 69 LYS HB3 A 69 LYS HEx 1.0 . 4.58 2267 2005 A 69 LYS HB3 A 69 LYS HEy 1.0 . 4.58 2268 2006 A 69 LYS HB3 A 70 ASP HBy 1.0 . 5.15 2269 2006 A 69 LYS HB3 A 70 ASP HBx 1.0 . 5.15 2270 2007 A 69 LYS HB3 A 71 ILE HG1y 1.0 . 4.57 2271 2007 A 69 LYS HB3 A 71 ILE HG1x 1.0 . 4.57 2272 2008 A 69 LYS HEx A 69 LYS HGy 1.0 . 3.22 2273 2008 A 69 LYS HEy A 69 LYS HGy 1.0 . 3.22 2274 2008 A 69 LYS HGx A 69 LYS HEx 1.0 . 3.22 2275 2008 A 69 LYS HGx A 69 LYS HEy 1.0 . 3.22 2276 2009 A 70 ASP H A 69 LYS HGy 1.0 . 4.75 2277 2009 A 70 ASP H A 69 LYS HGx 1.0 . 4.75 2278 2010 A 69 LYS HDx A 71 ILE HG1y 1.0 . 5.55 2279 2010 A 69 LYS HDy A 71 ILE HG1y 1.0 . 5.55 2280 2010 A 71 ILE HG1x A 69 LYS HDy 1.0 . 5.55 2281 2010 A 69 LYS HDx A 71 ILE HG1x 1.0 . 5.55 2282 2011 A 71 ILE HD1% A 69 LYS HDy 1.0 . 4.44 2283 2011 A 71 ILE HD1% A 69 LYS HDx 1.0 . 4.44 2284 2012 A 70 ASP HA A 71 ILE HG1y 1.0 . 5.60 2285 2012 A 70 ASP HA A 71 ILE HG1x 1.0 . 5.60 2286 2013 A 71 ILE H A 71 ILE HG1y 1.0 . 3.79 2287 2013 A 71 ILE H A 71 ILE HG1x 1.0 . 3.79 2288 2014 A 71 ILE H A 72 PRO HDy 1.0 . 5.12 2289 2014 A 71 ILE H A 72 PRO HDx 1.0 . 5.12 2290 2015 A 71 ILE HA A 71 ILE HG1y 1.0 . 3.62 2291 2015 A 71 ILE HA A 71 ILE HG1x 1.0 . 3.62 2292 2016 A 71 ILE HA A 72 PRO HGx 1.0 . 4.56 2293 2016 A 71 ILE HA A 72 PRO HGy 1.0 . 4.56 2294 2017 A 71 ILE HB A 72 PRO HDy 1.0 . 5.90 2295 2017 A 71 ILE HB A 72 PRO HDx 1.0 . 5.90 2296 2018 A 71 ILE HG2% A 71 ILE HG1y 1.0 . 3.17 2297 2018 A 71 ILE HG2% A 71 ILE HG1x 1.0 . 3.17 2298 2019 A 71 ILE HG2% A 72 PRO HGx 1.0 . 5.50 2299 2019 A 71 ILE HG2% A 72 PRO HGy 1.0 . 5.50 2300 2020 A 71 ILE HG2% A 72 PRO HDy 1.0 . 3.63 2301 2020 A 71 ILE HG2% A 72 PRO HDx 1.0 . 3.63 2302 2021 A 71 ILE HG1y A 72 PRO HDy 1.0 . 4.81 2303 2021 A 71 ILE HG1x A 72 PRO HDy 1.0 . 4.81 2304 2021 A 72 PRO HDx A 71 ILE HG1y 1.0 . 4.81 2305 2021 A 71 ILE HG1x A 72 PRO HDx 1.0 . 4.81 2306 2022 A 74 TYR HB2 A 71 ILE HG1y 1.0 . 5.77 2307 2022 A 74 TYR HB2 A 71 ILE HG1x 1.0 . 5.77 2308 2023 A 98 TYR HH A 71 ILE HG1y 1.0 . 5.07 2309 2023 A 98 TYR HH A 71 ILE HG1x 1.0 . 5.07 2310 2024 A 71 ILE HD1% A 72 PRO HDy 1.0 . 5.35 2311 2024 A 71 ILE HD1% A 72 PRO HDx 1.0 . 5.35 2312 2025 A 74 TYR HA A 100 LYS HGy 1.0 . 5.72 2313 2025 A 74 TYR HA A 100 LYS HGx 1.0 . 5.72 2314 2026 A 74 TYR HD% A 100 LYS HGy 1.0 . 4.62 2315 2026 A 74 TYR HD% A 100 LYS HGx 1.0 . 4.62 2316 2027 A 74 TYR HE% A 100 LYS HDx 1.0 . 3.93 2317 2027 A 74 TYR HE% A 100 LYS HDy 1.0 . 3.93 2318 2028 A 75 LYS H A 75 LYS HDx 1.0 . 5.49 2319 2028 A 75 LYS H A 75 LYS HDy 1.0 . 5.49 2320 2029 A 75 LYS H A 99 ASP HBy 1.0 . 5.22 2321 2029 A 75 LYS H A 99 ASP HBx 1.0 . 5.22 2322 2030 A 75 LYS HA A 75 LYS HDx 1.0 . 4.86 2323 2030 A 75 LYS HA A 75 LYS HDy 1.0 . 4.86 2324 2031 A 75 LYS HB2 A 99 ASP HBy 1.0 . 4.82 2325 2031 A 75 LYS HB2 A 99 ASP HBx 1.0 . 4.82 2326 2032 A 75 LYS HB3 A 99 ASP HBy 1.0 . 5.02 2327 2032 A 75 LYS HB3 A 99 ASP HBx 1.0 . 5.02 2328 2033 A 76 LEU H A 75 LYS HGy 1.0 . 4.17 2329 2033 A 76 LEU H A 75 LYS HGx 1.0 . 4.17 2330 2034 A 99 ASP H A 75 LYS HGy 1.0 . 5.84 2331 2034 A 99 ASP H A 75 LYS HGx 1.0 . 5.84 2332 2035 A 101 ILE HD1% A 75 LYS HGy 1.0 . 4.46 2333 2035 A 101 ILE HD1% A 75 LYS HGx 1.0 . 4.46 2334 2036 A 76 LEU H A 75 LYS HDx 1.0 . 5.29 2335 2036 A 76 LEU H A 75 LYS HDy 1.0 . 5.29 2336 2037 A 101 ILE HG2% A 75 LYS HDx 1.0 . 5.31 2337 2037 A 101 ILE HG2% A 75 LYS HDy 1.0 . 5.31 2338 2038 A 101 ILE HG12 A 75 LYS HDx 1.0 . 5.31 2339 2038 A 101 ILE HG12 A 75 LYS HDy 1.0 . 5.31 2340 2039 A 101 ILE HD1% A 75 LYS HDx 1.0 . 4.63 2341 2039 A 101 ILE HD1% A 75 LYS HDy 1.0 . 4.63 2342 2040 A 76 LEU HD2% A 79 ILE HG1y 1.0 . 4.21 2343 2040 A 76 LEU HD2% A 79 ILE HG1x 1.0 . 4.21 2344 2041 A 77 ARG H A 77 ARG HGy 1.0 . 4.25 2345 2041 A 77 ARG H A 77 ARG HGx 1.0 . 4.25 2346 2042 A 77 ARG H A 77 ARG HDx 1.0 . 6.02 2347 2042 A 77 ARG H A 77 ARG HDy 1.0 . 6.02 2348 2043 A 77 ARG HA A 77 ARG HDx 1.0 . 5.03 2349 2043 A 77 ARG HA A 77 ARG HDy 1.0 . 5.03 2350 2044 A 77 ARG HB2 A 77 ARG HDx 1.0 . 3.71 2351 2044 A 77 ARG HB2 A 77 ARG HDy 1.0 . 3.71 2352 2045 A 78 GLU H A 77 ARG HGy 1.0 . 3.94 2353 2045 A 78 GLU H A 77 ARG HGx 1.0 . 3.94 2354 2046 A 77 ARG HGx A 78 GLU HBx 1.0 . 4.49 2355 2046 A 77 ARG HGy A 78 GLU HBx 1.0 . 4.49 2356 2046 A 78 GLU HBy A 77 ARG HGy 1.0 . 4.49 2357 2046 A 77 ARG HGx A 78 GLU HBy 1.0 . 4.49 2358 2047 A 77 ARG HGx A 78 GLU HGy 1.0 . 4.27 2359 2047 A 77 ARG HGy A 78 GLU HGy 1.0 . 4.27 2360 2047 A 78 GLU HGx A 77 ARG HGy 1.0 . 4.27 2361 2047 A 77 ARG HGx A 78 GLU HGx 1.0 . 4.27 2362 2048 A 77 ARG HGx A 99 ASP HBy 1.0 . 5.18 2363 2048 A 99 ASP HBx A 77 ARG HGy 1.0 . 5.18 2364 2048 A 99 ASP HBx A 77 ARG HGx 1.0 . 5.18 2365 2048 A 77 ARG HGy A 99 ASP HBy 1.0 . 5.18 2366 2049 A 77 ARG HH2% A 77 ARG HDx 1.0 . 4.52 2367 2049 A 77 ARG HH2% A 77 ARG HDy 1.0 . 4.52 2368 2050 A 78 GLU H A 77 ARG HDx 1.0 . 4.86 2369 2050 A 78 GLU H A 77 ARG HDy 1.0 . 4.86 2370 2051 A 77 ARG HDx A 78 GLU HGy 1.0 . 5.18 2371 2051 A 77 ARG HDy A 78 GLU HGy 1.0 . 5.18 2372 2051 A 78 GLU HGx A 77 ARG HDx 1.0 . 5.18 2373 2051 A 77 ARG HDy A 78 GLU HGx 1.0 . 5.18 2374 2052 A 97 ILE HB A 77 ARG HDx 1.0 . 4.63 2375 2052 A 97 ILE HB A 77 ARG HDy 1.0 . 4.63 2376 2053 A 77 ARG HDx A 97 ILE HG1y 1.0 . 5.14 2377 2053 A 77 ARG HDy A 97 ILE HG1y 1.0 . 5.14 2378 2053 A 97 ILE HG1x A 77 ARG HDx 1.0 . 5.14 2379 2053 A 77 ARG HDy A 97 ILE HG1x 1.0 . 5.14 2380 2054 A 97 ILE HD1% A 77 ARG HDx 1.0 . 4.89 2381 2054 A 97 ILE HD1% A 77 ARG HDy 1.0 . 4.89 2382 2055 A 78 GLU H A 78 GLU HGy 1.0 . 4.09 2383 2055 A 78 GLU H A 78 GLU HGx 1.0 . 4.09 2384 2056 A 78 GLU H A 79 ILE HG1y 1.0 . 5.34 2385 2056 A 78 GLU H A 79 ILE HG1x 1.0 . 5.34 2386 2057 A 78 GLU HA A 79 ILE HG1y 1.0 . 4.62 2387 2057 A 78 GLU HA A 79 ILE HG1x 1.0 . 4.62 2388 2058 A 79 ILE H A 78 GLU HBx 1.0 . 3.34 2389 2058 A 79 ILE H A 78 GLU HBy 1.0 . 3.34 2390 2059 A 80 PRO HA A 78 GLU HGy 1.0 . 5.34 2391 2059 A 80 PRO HA A 78 GLU HGx 1.0 . 5.34 2392 2060 A 80 PRO HD3 A 78 GLU HGy 1.0 . 5.34 2393 2060 A 80 PRO HD3 A 78 GLU HGx 1.0 . 5.34 2394 2061 A 80 PRO HD2 A 79 ILE HG1y 1.0 . 5.34 2395 2061 A 80 PRO HD2 A 79 ILE HG1x 1.0 . 5.34 2396 2062 A 96 TYR HD% A 79 ILE HG1y 1.0 . 5.34 2397 2062 A 96 TYR HD% A 79 ILE HG1x 1.0 . 5.34 2398 2063 A 96 TYR HE% A 79 ILE HG1y 1.0 . 4.38 2399 2063 A 96 TYR HE% A 79 ILE HG1x 1.0 . 4.38 2400 2064 A 80 PRO HD2 A 97 ILE HG1y 1.0 . 5.34 2401 2064 A 80 PRO HD2 A 97 ILE HG1x 1.0 . 5.34 2402 2065 A 85 GLY HAy A 86 ASN HBx 1.0 . 5.31 2403 2065 A 85 GLY HAx A 86 ASN HBx 1.0 . 5.31 2404 2065 A 86 ASN HBy A 85 GLY HAx 1.0 . 5.31 2405 2065 A 85 GLY HAy A 86 ASN HBy 1.0 . 5.31 2406 2066 A 86 ASN H A 86 ASN HBx 1.0 . 3.49 2407 2066 A 86 ASN H A 86 ASN HBy 1.0 . 3.49 2408 2067 A 86 ASN H A 86 ASN HD2y 1.0 . 5.55 2409 2067 A 86 ASN HD2x A 86 ASN H 1.0 . 5.55 2410 2068 A 87 ILE H A 86 ASN HBx 1.0 . 4.22 2411 2068 A 87 ILE H A 86 ASN HBy 1.0 . 4.22 2412 2069 A 88 THR HG2% A 86 ASN HBx 1.0 . 3.36 2413 2069 A 88 THR HG2% A 86 ASN HBy 1.0 . 3.36 2414 2070 A 86 ASN HD2y A 88 THR HG2% 1.0 . 4.89 2415 2070 A 86 ASN HD2x A 88 THR HG2% 1.0 . 4.89 2416 2071 A 90 THR H A 89 ASP HBx 1.0 . 3.72 2417 2071 A 90 THR H A 89 ASP HBy 1.0 . 3.72 2418 2072 A 90 THR HG2% A 89 ASP HBx 1.0 . 4.75 2419 2072 A 90 THR HG2% A 89 ASP HBy 1.0 . 4.75 2420 2073 A 92 ILE HB A 89 ASP HBx 1.0 . 6.08 2421 2073 A 92 ILE HB A 89 ASP HBy 1.0 . 6.08 2422 2074 A 92 ILE HG12 A 89 ASP HBx 1.0 . 5.01 2423 2074 A 92 ILE HG12 A 89 ASP HBy 1.0 . 5.01 2424 2075 A 92 ILE HG13 A 89 ASP HBx 1.0 . 4.56 2425 2075 A 92 ILE HG13 A 89 ASP HBy 1.0 . 4.56 2426 2076 A 92 ILE HD1% A 89 ASP HBx 1.0 . 4.27 2427 2076 A 92 ILE HD1% A 89 ASP HBy 1.0 . 4.27 2428 2077 A 90 THR HG2% A 91 GLY HAx 1.0 . 4.78 2429 2077 A 90 THR HG2% A 91 GLY HAy 1.0 . 4.78 2430 2078 A 95 ARG HDx A 97 ILE HG1y 1.0 . 5.34 2431 2078 A 95 ARG HDy A 97 ILE HG1y 1.0 . 5.34 2432 2078 A 97 ILE HG1x A 95 ARG HDx 1.0 . 5.34 2433 2078 A 95 ARG HDy A 97 ILE HG1x 1.0 . 5.34 2434 2079 A 96 TYR HA A 97 ILE HG1y 1.0 . 5.20 2435 2079 A 96 TYR HA A 97 ILE HG1x 1.0 . 5.20 2436 2080 A 97 ILE H A 97 ILE HG1y 1.0 . 3.93 2437 2080 A 97 ILE H A 97 ILE HG1x 1.0 . 3.93 2438 2081 A 97 ILE HG2% A 99 ASP HBy 1.0 . 5.34 2439 2081 A 97 ILE HG2% A 99 ASP HBx 1.0 . 5.34 2440 2082 A 98 TYR H A 97 ILE HG1y 1.0 . 5.04 2441 2082 A 98 TYR H A 97 ILE HG1x 1.0 . 5.04 2442 2083 A 98 TYR HA A 99 ASP HBy 1.0 . 4.91 2443 2083 A 98 TYR HA A 99 ASP HBx 1.0 . 4.91 2444 2084 A 99 ASP H A 99 ASP HBy 1.0 . 3.44 2445 2084 A 99 ASP H A 99 ASP HBx 1.0 . 3.44 2446 2085 A 100 LYS H A 99 ASP HBy 1.0 . 3.93 2447 2085 A 100 LYS H A 99 ASP HBx 1.0 . 3.93 2448 2086 A 100 LYS HA A 99 ASP HBy 1.0 . 5.34 2449 2086 A 100 LYS HA A 99 ASP HBx 1.0 . 5.34 2450 2087 A 101 ILE H A 99 ASP HBy 1.0 . 5.34 2451 2087 A 101 ILE H A 99 ASP HBx 1.0 . 5.34 2452 2088 A 100 LYS H A 100 LYS HGy 1.0 . 4.45 2453 2088 A 100 LYS H A 100 LYS HGx 1.0 . 4.45 2454 2089 A 100 LYS HA A 100 LYS HGy 1.0 . 3.72 2455 2089 A 100 LYS HA A 100 LYS HGx 1.0 . 3.72 2456 2090 A 100 LYS HA A 100 LYS HDx 1.0 . 4.53 2457 2090 A 100 LYS HA A 100 LYS HDy 1.0 . 4.53 2458 2091 A 102 ILE H A 100 LYS HGy 1.0 . 5.50 2459 2091 A 102 ILE H A 100 LYS HGx 1.0 . 5.50 2460 2092 A 101 ILE H A 100 LYS HDx 1.0 . 5.01 2461 2092 A 101 ILE H A 100 LYS HDy 1.0 . 5.01 2462 2093 A 101 ILE HA A 102 ILE HG1y 1.0 . 4.57 2463 2093 A 101 ILE HA A 102 ILE HG1x 1.0 . 4.57 2464 2094 A 102 ILE H A 102 ILE HG1y 1.0 . 3.69 2465 2094 A 102 ILE H A 102 ILE HG1x 1.0 . 3.69 2466 2095 A 102 ILE HB A 103 ASP HBy 1.0 . 4.85 2467 2095 A 102 ILE HB A 103 ASP HBx 1.0 . 4.85 2468 2096 A 102 ILE HG2% A 103 ASP HBy 1.0 . 5.34 2469 2096 A 102 ILE HG2% A 103 ASP HBx 1.0 . 5.34 2470 2097 A 103 ASP H A 103 ASP HBy 1.0 . 3.47 2471 2097 A 103 ASP H A 103 ASP HBx 1.0 . 3.47 2472 2098 A 104 VAL HG2% A 103 ASP HBy 1.0 . 5.34 2473 2098 A 104 VAL HG2% A 103 ASP HBx 1.0 . 5.34 2474 2099 A 105 SER H A 103 ASP HBy 1.0 . 5.11 2475 2099 A 105 SER H A 103 ASP HBx 1.0 . 5.11 2476 2100 A 104 VAL HA A 106 TYR HBy 1.0 . 5.34 2477 2100 A 104 VAL HA A 106 TYR HBx 1.0 . 5.34 2478 2101 A 104 VAL HB A 106 TYR HBy 1.0 . 5.34 2479 2101 A 104 VAL HB A 106 TYR HBx 1.0 . 5.34 2480 2102 A 104 VAL HG2% A 106 TYR HBy 1.0 . 5.34 2481 2102 A 104 VAL HG2% A 106 TYR HBx 1.0 . 5.34 2482 2103 A 105 SER H A 106 TYR HBy 1.0 . 5.87 2483 2103 A 105 SER H A 106 TYR HBx 1.0 . 5.87 2484 2104 A 106 TYR H A 106 TYR HBy 1.0 . 3.54 2485 2104 A 106 TYR H A 106 TYR HBx 1.0 . 3.54 2486 2105 A 107 VAL H A 106 TYR HBy 1.0 . 4.29 2487 2105 A 107 VAL H A 106 TYR HBx 1.0 . 4.29 2488 2106 A 106 TYR HBx A 107 VAL HGx% 1.0 . 5.34 2489 2106 A 106 TYR HBy A 107 VAL HGx% 1.0 . 5.34 2490 2106 A 107 VAL HGy% A 106 TYR HBy 1.0 . 5.34 2491 2106 A 107 VAL HGy% A 106 TYR HBx 1.0 . 5.34 2492 2107 A 107 VAL HA A 108 ASP HBy 1.0 . 5.32 2493 2107 A 107 VAL HA A 108 ASP HBx 1.0 . 5.32 2494 2108 A 107 VAL HGx% A 109 GLU HGy 1.0 . 5.47 2495 2108 A 107 VAL HGy% A 109 GLU HGy 1.0 . 5.47 2496 2108 A 109 GLU HGx A 107 VAL HGx% 1.0 . 5.47 2497 2108 A 107 VAL HGy% A 109 GLU HGx 1.0 . 5.47 2498 2109 A 108 ASP H A 108 ASP HBy 1.0 . 3.45 2499 2109 A 108 ASP H A 108 ASP HBx 1.0 . 3.45 2500 2110 A 109 GLU H A 108 ASP HBy 1.0 . 4.12 2501 2110 A 109 GLU H A 108 ASP HBx 1.0 . 4.12 2502 2111 A 109 GLU H A 109 GLU HBx 1.0 . 3.58 2503 2111 A 109 GLU H A 109 GLU HBy 1.0 . 3.58 2504 2112 A 109 GLU H A 109 GLU HGy 1.0 . 4.80 2505 2112 A 109 GLU H A 109 GLU HGx 1.0 . 4.80 2506 2113 A 110 THR HG2% A 109 GLU HGy 1.0 . 5.32 2507 2113 A 110 THR HG2% A 109 GLU HGx 1.0 . 5.32 2508 2114 A 112 LYS H A 112 LYS HBy 1.0 . 3.54 2509 2114 A 112 LYS H A 112 LYS HBx 1.0 . 3.54 2510 2115 A 112 LYS H A 112 LYS HGx 1.0 . 4.65 2511 2115 A 112 LYS H A 112 LYS HGy 1.0 . 4.65 2512 2116 A 113 ASP H A 112 LYS HBy 1.0 . 4.36 2513 2116 A 113 ASP H A 112 LYS HBx 1.0 . 4.36 2514 2117 A 114 LEU H A 112 LYS HBy 1.0 . 6.12 2515 2117 A 114 LEU H A 112 LYS HBx 1.0 . 6.12 2516 2118 A 115 LEU HD2% A 116 PRO HBy 1.0 . 5.34 2517 2118 A 115 LEU HD2% A 116 PRO HBx 1.0 . 5.34 2518 2119 A 117 VAL HA A 116 PRO HBy 1.0 . 5.34 2519 2119 A 117 VAL HA A 116 PRO HBx 1.0 . 5.34 2520 2120 A 116 PRO HBy A 118 VAL HGx% 1.0 . 5.34 2521 2120 A 116 PRO HBx A 118 VAL HGx% 1.0 . 5.34 2522 2120 A 118 VAL HGy% A 116 PRO HBy 1.0 . 5.34 2523 2120 A 118 VAL HGy% A 116 PRO HBx 1.0 . 5.34 2524 2121 A 119 GLU H A 119 GLU HBx 1.0 . 3.61 2525 2121 A 119 GLU H A 119 GLU HBy 1.0 . 3.61 2526 2122 A 119 GLU HA A 120 ILE HG1y 1.0 . 5.86 2527 2122 A 119 GLU HA A 120 ILE HG1x 1.0 . 5.86 2528 2123 A 120 ILE HG2% A 120 ILE HG1y 1.0 . 3.32 2529 2123 A 120 ILE HG2% A 120 ILE HG1x 1.0 . 3.32 2530 2124 A 120 ILE HG2% A 122 ASN HBy 1.0 . 5.26 2531 2124 A 120 ILE HG2% A 122 ASN HBx 1.0 . 5.26 2532 2125 A 121 ILE H A 121 ILE HG1y 1.0 . 3.93 2533 2125 A 121 ILE H A 121 ILE HG1x 1.0 . 3.93 2534 2126 A 122 ASN H A 121 ILE HG1y 1.0 . 5.94 2535 2126 A 122 ASN H A 121 ILE HG1x 1.0 . 5.94 2536 2127 A 125 ALA HB% A 122 ASN HBy 1.0 . 5.63 2537 2127 A 125 ALA HB% A 122 ASN HBx 1.0 . 5.63 2538 2128 A 124 GLU H A 124 GLU HBx 1.0 . 3.66 2539 2128 A 124 GLU H A 124 GLU HBy 1.0 . 3.66 2540 2129 A 128 LEU H A 128 LEU HBy 1.0 . 3.54 2541 2129 A 128 LEU H A 128 LEU HBx 1.0 . 3.54 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 38 ASN C A 39 PHE N A 39 PHE CA A 39 PHE C 1.0 -151.0 -47.0 PHI 2 2 A 39 PHE N A 39 PHE CA A 39 PHE C A 40 THR N 1.0 88.0 204.0 PSI 3 3 A 39 PHE C A 40 THR N A 40 THR CA A 40 THR C 1.0 -171.0 -107.0 PHI 4 4 A 40 THR N A 40 THR CA A 40 THR C A 41 VAL N 1.0 130.0 174.0 PSI 5 5 A 40 THR C A 41 VAL N A 41 VAL CA A 41 VAL C 1.0 -156.0 -92.0 PHI 6 6 A 41 VAL N A 41 VAL CA A 41 VAL C A 42 LYS N 1.0 98.0 150.0 PSI 7 7 A 41 VAL C A 42 LYS N A 42 LYS CA A 42 LYS C 1.0 -144.0 -64.0 PHI 8 8 A 42 LYS N A 42 LYS CA A 42 LYS C A 43 VAL N 1.0 100.0 152.0 PSI 9 9 A 42 LYS C A 43 VAL N A 43 VAL CA A 43 VAL C 1.0 -132.0 -92.0 PHI 10 10 A 43 VAL N A 43 VAL CA A 43 VAL C A 44 GLU N 1.0 114.0 142.0 PSI 11 11 A 43 VAL C A 44 GLU N A 44 GLU CA A 44 GLU C 1.0 -162.0 -106.0 PHI 12 12 A 44 GLU N A 44 GLU CA A 44 GLU C A 45 TYR N 1.0 121.0 189.0 PSI 13 13 A 44 GLU C A 45 TYR N A 45 TYR CA A 45 TYR C 1.0 -161.0 -73.0 PHI 14 14 A 45 TYR N A 45 TYR CA A 45 TYR C A 46 VAL N 1.0 94.0 178.0 PSI 15 15 A 45 TYR C A 46 VAL N A 46 VAL CA A 46 VAL C 1.0 -153.0 -121.0 PHI 16 16 A 46 VAL N A 46 VAL CA A 46 VAL C A 47 ASP N 1.0 127.0 195.0 PSI 17 17 A 46 VAL C A 47 ASP N A 47 ASP CA A 47 ASP C 1.0 -142.0 -58.0 PHI 18 18 A 47 ASP N A 47 ASP CA A 47 ASP C A 48 ALA N 1.0 153.0 189.0 PSI 19 19 A 47 ASP C A 48 ALA N A 48 ALA CA A 48 ALA C 1.0 -89.0 -41.0 PHI 20 20 A 48 ALA N A 48 ALA CA A 48 ALA C A 49 ASP N 1.0 -38.0 2.0 PSI 21 21 A 48 ALA C A 49 ASP N A 49 ASP CA A 49 ASP C 1.0 -116.0 -72.0 PHI 22 22 A 49 ASP N A 49 ASP CA A 49 ASP C A 50 GLY N 1.0 -26.0 18.0 PSI 23 23 A 49 ASP C A 50 GLY N A 50 GLY CA A 50 GLY C 1.0 68.0 116.0 PHI 24 24 A 50 GLY N A 50 GLY CA A 50 GLY C A 51 ALA N 1.0 -25.0 47.0 PSI 25 25 A 50 GLY C A 51 ALA N A 51 ALA CA A 51 ALA C 1.0 -136.0 -48.0 PHI 26 26 A 51 ALA N A 51 ALA CA A 51 ALA C A 52 GLU N 1.0 73.0 221.0 PSI 27 27 A 52 GLU C A 53 ILE N A 53 ILE CA A 53 ILE C 1.0 -131.0 -59.0 PHI 28 28 A 53 ILE N A 53 ILE CA A 53 ILE C A 54 ALA N 1.0 -69.0 39.0 PSI 29 29 A 53 ILE C A 54 ALA N A 54 ALA CA A 54 ALA C 1.0 -198.0 -54.0 PHI 30 30 A 54 ALA N A 54 ALA CA A 54 ALA C A 55 PRO N 1.0 32.0 212.0 PSI 31 31 A 55 PRO C A 56 SER N A 56 SER CA A 56 SER C 1.0 -132.0 -56.0 PHI 32 32 A 56 SER N A 56 SER CA A 56 SER C A 57 ASP N 1.0 86.0 178.0 PSI 33 33 A 56 SER C A 57 ASP N A 57 ASP CA A 57 ASP C 1.0 -161.0 -89.0 PHI 34 34 A 57 ASP N A 57 ASP CA A 57 ASP C A 58 THR N 1.0 130.0 166.0 PSI 35 35 A 57 ASP C A 58 THR N A 58 THR CA A 58 THR C 1.0 -150.0 -86.0 PHI 36 36 A 58 THR N A 58 THR CA A 58 THR C A 59 LEU N 1.0 105.0 141.0 PSI 37 37 A 58 THR C A 59 LEU N A 59 LEU CA A 59 LEU C 1.0 -139.0 -51.0 PHI 38 38 A 59 LEU N A 59 LEU CA A 59 LEU C A 60 THR N 1.0 101.0 185.0 PSI 39 39 A 60 THR C A 61 ASP N A 61 ASP CA A 61 ASP C 1.0 -183.0 -27.0 PHI 40 40 A 61 ASP N A 61 ASP CA A 61 ASP C A 62 TYR N 1.0 113.0 193.0 PSI 41 41 A 61 ASP C A 62 TYR N A 62 TYR CA A 62 TYR C 1.0 -86.0 -26.0 PHI 42 42 A 62 TYR N A 62 TYR CA A 62 TYR C A 63 HIS N 1.0 -67.0 -7.0 PSI 43 43 A 63 HIS C A 64 TYR N A 64 TYR CA A 64 TYR C 1.0 -147.0 -63.0 PHI 44 44 A 64 TYR N A 64 TYR CA A 64 TYR C A 65 VAL N 1.0 63.0 191.0 PSI 45 45 A 64 TYR C A 65 VAL N A 65 VAL CA A 65 VAL C 1.0 -146.0 -106.0 PHI 46 46 A 65 VAL N A 65 VAL CA A 65 VAL C A 66 SER N 1.0 111.0 159.0 PSI 47 47 A 65 VAL C A 66 SER N A 66 SER CA A 66 SER C 1.0 -163.0 -91.0 PHI 48 48 A 66 SER N A 66 SER CA A 66 SER C A 67 THR N 1.0 105.0 189.0 PSI 49 49 A 66 SER C A 67 THR N A 67 THR CA A 67 THR C 1.0 -145.0 -97.0 PHI 50 50 A 67 THR N A 67 THR CA A 67 THR C A 68 PRO N 1.0 65.0 189.0 PSI 51 51 A 68 PRO C A 69 LYS N A 69 LYS CA A 69 LYS C 1.0 -156.0 -52.0 PHI 52 52 A 69 LYS N A 69 LYS CA A 69 LYS C A 70 ASP N 1.0 76.0 168.0 PSI 53 53 A 69 LYS C A 70 ASP N A 70 ASP CA A 70 ASP C 1.0 -132.0 -56.0 PHI 54 54 A 70 ASP N A 70 ASP CA A 70 ASP C A 71 ILE N 1.0 67.0 163.0 PSI 55 55 A 70 ASP C A 71 ILE N A 71 ILE CA A 71 ILE C 1.0 -161.0 -45.0 PHI 56 56 A 71 ILE N A 71 ILE CA A 71 ILE C A 72 PRO N 1.0 97.0 137.0 PSI 57 57 A 72 PRO C A 73 GLY N A 73 GLY CA A 73 GLY C 1.0 57.0 109.0 PHI 58 58 A 73 GLY N A 73 GLY CA A 73 GLY C A 74 TYR N 1.0 -23.0 21.0 PSI 59 59 A 73 GLY C A 74 TYR N A 74 TYR CA A 74 TYR C 1.0 -159.0 -75.0 PHI 60 60 A 74 TYR N A 74 TYR CA A 74 TYR C A 75 LYS N 1.0 83.0 195.0 PSI 61 61 A 74 TYR C A 75 LYS N A 75 LYS CA A 75 LYS C 1.0 -164.0 -88.0 PHI 62 62 A 75 LYS N A 75 LYS CA A 75 LYS C A 76 LEU N 1.0 109.0 153.0 PSI 63 63 A 75 LYS C A 76 LEU N A 76 LEU CA A 76 LEU C 1.0 -105.0 -49.0 PHI 64 64 A 76 LEU N A 76 LEU CA A 76 LEU C A 77 ARG N 1.0 92.0 140.0 PSI 65 65 A 76 LEU C A 77 ARG N A 77 ARG CA A 77 ARG C 1.0 -113.0 -69.0 PHI 66 66 A 77 ARG N A 77 ARG CA A 77 ARG C A 78 GLU N 1.0 -58.0 -26.0 PSI 67 67 A 77 ARG C A 78 GLU N A 78 GLU CA A 78 GLU C 1.0 -195.0 -115.0 PHI 68 68 A 78 GLU N A 78 GLU CA A 78 GLU C A 79 ILE N 1.0 122.0 178.0 PSI 69 69 A 78 GLU C A 79 ILE N A 79 ILE CA A 79 ILE C 1.0 -149.0 -49.0 PHI 70 70 A 79 ILE N A 79 ILE CA A 79 ILE C A 80 PRO N 1.0 68.0 184.0 PSI 71 71 A 80 PRO C A 81 HIS N A 81 HIS CA A 81 HIS C 1.0 -84.0 -44.0 PHI 72 72 A 81 HIS N A 81 HIS CA A 81 HIS C A 82 ASN N 1.0 -47.0 1.0 PSI 73 73 A 83 ALA C A 84 THR N A 84 THR CA A 84 THR C 1.0 -171.0 -91.0 PHI 74 74 A 84 THR N A 84 THR CA A 84 THR C A 85 GLY N 1.0 130.0 186.0 PSI 75 75 A 84 THR C A 85 GLY N A 85 GLY CA A 85 GLY C 1.0 -219.0 -115.0 PHI 76 76 A 85 GLY N A 85 GLY CA A 85 GLY C A 86 ASN N 1.0 105.0 217.0 PSI 77 77 A 85 GLY C A 86 ASN N A 86 ASN CA A 86 ASN C 1.0 -139.0 -95.0 PHI 78 78 A 86 ASN N A 86 ASN CA A 86 ASN C A 87 ILE N 1.0 123.0 163.0 PSI 79 79 A 86 ASN C A 87 ILE N A 87 ILE CA A 87 ILE C 1.0 -140.0 -28.0 PHI 80 80 A 87 ILE N A 87 ILE CA A 87 ILE C A 88 THR N 1.0 96.0 192.0 PSI 81 81 A 87 ILE C A 88 THR N A 88 THR CA A 88 THR C 1.0 -140.0 -64.0 PHI 82 82 A 88 THR N A 88 THR CA A 88 THR C A 89 ASP N 1.0 -56.0 16.0 PSI 83 83 A 88 THR C A 89 ASP N A 89 ASP CA A 89 ASP C 1.0 -158.0 -66.0 PHI 84 84 A 89 ASP N A 89 ASP CA A 89 ASP C A 90 THR N 1.0 128.0 184.0 PSI 85 85 A 91 GLY C A 92 ILE N A 92 ILE CA A 92 ILE C 1.0 -112.0 -48.0 PHI 86 86 A 92 ILE N A 92 ILE CA A 92 ILE C A 93 ILE N 1.0 112.0 152.0 PSI 87 87 A 92 ILE C A 93 ILE N A 93 ILE CA A 93 ILE C 1.0 -134.0 -90.0 PHI 88 88 A 93 ILE N A 93 ILE CA A 93 ILE C A 94 VAL N 1.0 85.0 173.0 PSI 89 89 A 93 ILE C A 94 VAL N A 94 VAL CA A 94 VAL C 1.0 -138.0 -90.0 PHI 90 90 A 94 VAL N A 94 VAL CA A 94 VAL C A 95 ARG N 1.0 96.0 144.0 PSI 91 91 A 94 VAL C A 95 ARG N A 95 ARG CA A 95 ARG C 1.0 -149.0 -81.0 PHI 92 92 A 95 ARG N A 95 ARG CA A 95 ARG C A 96 TYR N 1.0 99.0 143.0 PSI 93 93 A 95 ARG C A 96 TYR N A 96 TYR CA A 96 TYR C 1.0 -135.0 -75.0 PHI 94 94 A 96 TYR N A 96 TYR CA A 96 TYR C A 97 ILE N 1.0 104.0 152.0 PSI 95 95 A 96 TYR C A 97 ILE N A 97 ILE CA A 97 ILE C 1.0 -156.0 -80.0 PHI 96 96 A 97 ILE N A 97 ILE CA A 97 ILE C A 98 TYR N 1.0 97.0 161.0 PSI 97 97 A 97 ILE C A 98 TYR N A 98 TYR CA A 98 TYR C 1.0 -142.0 -90.0 PHI 98 98 A 98 TYR N A 98 TYR CA A 98 TYR C A 99 ASP N 1.0 125.0 185.0 PSI 99 99 A 98 TYR C A 99 ASP N A 99 ASP CA A 99 ASP C 1.0 -182.0 -70.0 PHI 100 100 A 99 ASP N A 99 ASP CA A 99 ASP C A 100 LYS N 1.0 98.0 186.0 PSI 101 101 A 99 ASP C A 100 LYS N A 100 LYS CA A 100 LYS C 1.0 -135.0 -39.0 PHI 102 102 A 100 LYS N A 100 LYS CA A 100 LYS C A 101 ILE N 1.0 105.0 161.0 PSI 103 103 A 100 LYS C A 101 ILE N A 101 ILE CA A 101 ILE C 1.0 -162.0 -42.0 PHI 104 104 A 101 ILE N A 101 ILE CA A 101 ILE C A 102 ILE N 1.0 105.0 157.0 PSI stop_ save_ save_n _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode n _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 4500 2 15N 1980 3 1H 9007 stop_ save_ save_cali _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode cali _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 9001 2 13C 8306 3 1H 9007 stop_ save_ save_caro _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode caro _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 4500 2 13C 8306 3 1H 9007 stop_ save_