data_nef_c19146_2m6m save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 48 HIS ND1 2 1 ZN ZN 1 24 CYS SG 2 1 ZN ZN 1 75 CYS SG 2 2 ZN ZN 1 51 CYS SG 2 1 ZN ZN 1 38 CYS SG 2 2 ZN ZN 1 72 CYS SG 2 2 ZN ZN 1 40 CYS SG 2 2 ZN ZN 1 21 CYS SG 2 1 ZN ZN stop_ 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 19 VAL start . . 2 A 20 ALA middle . . 3 A 21 ASN middle . . 4 A 22 GLU middle . . 5 A 23 GLU middle . . 6 A 24 THR middle . . 7 A 25 ASP middle . . 8 A 26 THR middle . . 9 A 27 ALA middle . . 10 A 28 THR middle . . 11 A 29 PHE middle . . 12 A 30 ASN middle . . 13 A 31 ASP middle . . 14 A 32 ASP middle . . 15 A 33 ALA middle . . 16 A 34 PRO middle . false 17 A 35 SER middle . . 18 A 36 GLY middle . false 19 A 37 ALA middle . . 20 A 38 THR middle . . 21 A 39 CYS middle -HG . 22 A 40 ARG middle . . 23 A 41 ILE middle . . 24 A 42 CYS middle -HG . 25 A 43 ARG middle . . 26 A 44 GLY middle . false 27 A 45 GLU middle . true 28 A 46 ALA middle . true 29 A 47 THR middle . . 30 A 48 GLU middle . . 31 A 49 ASP middle . . 32 A 50 ASN middle . . 33 A 51 PRO middle . false 34 A 52 LEU middle . . 35 A 53 PHE middle . . 36 A 54 HIS middle . . 37 A 55 PRO middle . false 38 A 56 CYS middle -HG . 39 A 57 LYS middle . . 40 A 58 CYS middle -HG . 41 A 59 ARG middle . true 42 A 60 GLY middle . false 43 A 61 SER middle . . 44 A 62 ILE middle . . 45 A 63 LYS middle . . 46 A 64 TYR middle . . 47 A 65 MET middle . . 48 A 66 HIS middle -HD1 . 49 A 67 GLU middle . . 50 A 68 SER middle . . 51 A 69 CYS middle -HG . 52 A 70 LEU middle . . 53 A 71 LEU middle . . 54 A 72 GLU middle . . 55 A 73 TRP middle . . 56 A 74 VAL middle . . 57 A 75 ALA middle . . 58 A 76 SER middle . . 59 A 77 LYS middle . . 60 A 78 ASN middle . . 61 A 79 ILE middle . . 62 A 80 ASP middle . . 63 A 81 ILE middle . . 64 A 82 SER middle . . 65 A 83 LYS middle . . 66 A 84 PRO middle . false 67 A 85 GLY middle . false 68 A 86 ALA middle . . 69 A 87 ASP middle . . 70 A 88 VAL middle . . 71 A 89 LYS middle . . 72 A 90 CYS middle -HG . 73 A 91 ASP middle . . 74 A 92 ILE middle . . 75 A 93 CYS middle -HG . 76 A 94 HIS middle . . 77 A 95 TYR middle . . 78 A 96 PRO middle . false 79 A 97 ILE middle . . 80 A 98 GLN middle . . 81 A 99 PHE middle . . 82 A 100 LYS middle . . 83 A 101 THR end . . 84 B 1 ZN . . . 85 B 2 ZN . . . 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 19 VAL HA H 1 4.129 0 A 19 VAL HB H 1 1.952 0 A 19 VAL HGx% H 1 0.855 0 A 19 VAL HGy% H 1 0.855 0 A 19 VAL C C 13 175.485 0 A 19 VAL CA C 13 61.903 0 A 19 VAL CB C 13 32.903 0 A 19 VAL CGx C 13 20.598 0 A 19 VAL CGy C 13 20.598 0 A 20 ALA H H 1 8.39 0 A 20 ALA HA H 1 4.316 0 A 20 ALA HB% H 1 1.348 0 A 20 ALA C C 13 177.29 0 A 20 ALA CA C 13 52.15 0 A 20 ALA CB C 13 19.264 0 A 20 ALA N N 15 127.66 0 A 21 ASN H H 1 8.393 0 A 21 ASN HA H 1 4.611 0 A 21 ASN HBx H 1 2.704 0 A 21 ASN HBy H 1 2.704 0 A 21 ASN HD2y H 1 7.592 0 A 21 ASN HD2x H 1 6.95 0 A 21 ASN C C 13 175.171 0 A 21 ASN CA C 13 53.209 0 A 21 ASN CB C 13 38.804 0 A 21 ASN N N 15 118.023 0 A 21 ASN ND2 N 15 113.019 0 A 22 GLU H H 1 8.446 0 A 22 GLU HA H 1 4.254 0 A 22 GLU HBy H 1 2.066 0 A 22 GLU HBx H 1 1.867 0 A 22 GLU HGx H 1 2.18 0 A 22 GLU HGy H 1 2.18 0 A 22 GLU C C 13 176.534 0 A 22 GLU CA C 13 56.771 0 A 22 GLU CB C 13 30.126 0 A 22 GLU CG C 13 36.151 0 A 22 GLU N N 15 121.629 0 A 23 GLU H H 1 8.448 0 A 23 GLU HA H 1 4.36 0 A 23 GLU HBx H 1 1.932 0 A 23 GLU HBy H 1 2.071 0 A 23 GLU HGy H 1 2.268 0 A 23 GLU HGx H 1 2.215 0 A 23 GLU C C 13 176.767 0 A 23 GLU CA C 13 56.591 0 A 23 GLU CB C 13 30.158 0 A 23 GLU CG C 13 36.183 0 A 23 GLU N N 15 121.889 0 A 24 THR H H 1 8.142 0 A 24 THR HA H 1 4.319 0 A 24 THR HB H 1 4.209 0 A 24 THR HG2% H 1 1.166 0 A 24 THR C C 13 174.398 0 A 24 THR CA C 13 62.01 0 A 24 THR CB C 13 69.692 0 A 24 THR CG2 C 13 21.23 0 A 24 THR N N 15 114.661 0 A 25 ASP H H 1 8.444 0 A 25 ASP HA H 1 4.674 0 A 25 ASP HBx H 1 2.647 0 A 25 ASP HBy H 1 2.73 0 A 25 ASP C C 13 176.497 0 A 25 ASP CA C 13 54.449 0 A 25 ASP CB C 13 41.153 0 A 25 ASP N N 15 122.994 0 A 26 THR H H 1 8.09 0 A 26 THR HA H 1 4.231 0 A 26 THR HB H 1 4.241 0 A 26 THR HG2% H 1 1.192 0 A 26 THR C C 13 174.566 0 A 26 THR CA C 13 62.002 0 A 26 THR CB C 13 69.434 0 A 26 THR CG2 C 13 21.648 0 A 26 THR N N 15 114.547 0 A 27 ALA H H 1 8.277 0 A 27 ALA HA H 1 4.323 0 A 27 ALA HB% H 1 1.357 0 A 27 ALA C C 13 177.797 0 A 27 ALA CA C 13 52.67 0 A 27 ALA CB C 13 19.16 0 A 27 ALA N N 15 126.213 0 A 28 THR H H 1 7.968 0 A 28 THR HA H 1 4.252 0 A 28 THR HB H 1 4.127 0 A 28 THR HG2% H 1 1.095 0 A 28 THR C C 13 174.285 0 A 28 THR CA C 13 61.637 0 A 28 THR CB C 13 69.801 0 A 28 THR CG2 C 13 21.593 0 A 28 THR N N 15 112.647 0 A 29 PHE H H 1 8.17 0 A 29 PHE HA H 1 4.596 0 A 29 PHE HBy H 1 3.118 0 A 29 PHE HBx H 1 3.009 0 A 29 PHE C C 13 175.273 0 A 29 PHE CA C 13 57.719 0 A 29 PHE CB C 13 39.506 0 A 29 PHE N N 15 121.941 0 A 30 ASN H H 1 8.293 0 A 30 ASN HA H 1 4.648 0 A 30 ASN HBy H 1 2.763 0 A 30 ASN HBx H 1 2.681 0 A 30 ASN HD2y H 1 7.581 0 A 30 ASN HD2x H 1 6.879 0 A 30 ASN C C 13 174.482 0 A 30 ASN CA C 13 53.332 0 A 30 ASN CB C 13 39.053 0 A 30 ASN N N 15 120.233 0 A 30 ASN ND2 N 15 112.89 0 A 31 ASP H H 1 8.321 0 A 31 ASP HA H 1 4.623 0 A 31 ASP HBy H 1 2.664 0 A 31 ASP HBx H 1 2.573 0 A 31 ASP C C 13 175.789 0 A 31 ASP CA C 13 54.089 0 A 31 ASP CB C 13 41.187 0 A 31 ASP N N 15 121.229 0 A 32 ASP H H 1 8.172 0 A 32 ASP HA H 1 4.571 0 A 32 ASP HBy H 1 2.609 0 A 32 ASP HBx H 1 2.553 0 A 32 ASP C C 13 175.9 0 A 32 ASP CA C 13 54.099 0 A 32 ASP CB C 13 41.22 0 A 32 ASP N N 15 120.919 0 A 33 ALA H H 1 8.305 0 A 33 ALA HA H 1 4.312 0 A 33 ALA HB% H 1 0.835 0 A 33 ALA C C 13 175.273 0 A 33 ALA CA C 13 50.244 0 A 33 ALA CB C 13 17.832 0 A 33 ALA N N 15 125.636 0 A 34 PRO HA H 1 4.401 0 A 34 PRO HBy H 1 2.208 0 A 34 PRO HBx H 1 1.888 0 A 34 PRO HDx H 1 3.33 0 A 34 PRO HDy H 1 3.779 0 A 34 PRO HGx H 1 1.866 0 A 34 PRO HGy H 1 1.985 0 A 34 PRO C C 13 177.252 0 A 34 PRO CA C 13 62.26 0 A 34 PRO CB C 13 32.131 0 A 34 PRO CD C 13 50.232 0 A 34 PRO CG C 13 27.046 0 A 35 SER H H 1 8.452 0 A 35 SER HA H 1 4.182 0 A 35 SER HBy H 1 4.179 0 A 35 SER HBx H 1 3.814 0 A 35 SER C C 13 175.934 0 A 35 SER CA C 13 59.585 0 A 35 SER CB C 13 62.799 0 A 35 SER N N 15 116.284 0 A 36 GLY H H 1 8.801 0 A 36 GLY HAy H 1 4.017 0 A 36 GLY HAx H 1 3.719 0 A 36 GLY C C 13 173.991 0 A 36 GLY CA C 13 44.949 0 A 36 GLY N N 15 113.257 0 A 37 ALA H H 1 7.47 0 A 37 ALA HA H 1 4.159 0 A 37 ALA HB% H 1 0.857 0 A 37 ALA C C 13 176.558 0 A 37 ALA CA C 13 52.459 0 A 37 ALA CB C 13 19.578 0 A 37 ALA N N 15 122.946 0 A 38 THR H H 1 8.12 0 A 38 THR HA H 1 4.553 0 A 38 THR HB H 1 3.544 0 A 38 THR HG2% H 1 0.922 0 A 38 THR C C 13 172.739 0 A 38 THR CA C 13 58.579 0 A 38 THR CB C 13 73.418 0 A 38 THR CG2 C 13 22.402 0 A 38 THR N N 15 108.158 0 A 39 CYS H H 1 8.402 0 A 39 CYS HA H 1 3.854 0 A 39 CYS HBy H 1 3.159 0 A 39 CYS HBx H 1 1.795 0 A 39 CYS C C 13 177.83 0 A 39 CYS CA C 13 57.7 0 A 39 CYS CB C 13 31.651 0 A 39 CYS N N 15 121.92 0 A 40 ARG H H 1 9.295 0 A 40 ARG HA H 1 4.279 0 A 40 ARG HBy H 1 2.143 0 A 40 ARG HBx H 1 1.825 0 A 40 ARG HDy H 1 3.065 0 A 40 ARG HDx H 1 2.888 0 A 40 ARG HGx H 1 1.365 0 A 40 ARG HGy H 1 1.664 0 A 40 ARG C C 13 175.168 0 A 40 ARG CA C 13 57.889 0 A 40 ARG CB C 13 30.305 0 A 40 ARG CD C 13 44.433 0 A 40 ARG CG C 13 25.811 0 A 40 ARG N N 15 128.436 0 A 41 ILE H H 1 8.815 0 A 41 ILE HA H 1 4.136 0 A 41 ILE HB H 1 1.975 0 A 41 ILE HD1% H 1 0.707 0 A 41 ILE HG1x H 1 1.132 0 A 41 ILE HG1y H 1 1.441 0 A 41 ILE HG2% H 1 1.043 0 A 41 ILE C C 13 176.481 0 A 41 ILE CA C 13 63.06 0 A 41 ILE CB C 13 38.254 0 A 41 ILE CD1 C 13 11.975 0 A 41 ILE CG1 C 13 28.512 0 A 41 ILE CG2 C 13 16.576 0 A 41 ILE N N 15 122.242 0 A 42 CYS H H 1 8.106 0 A 42 CYS HA H 1 4.935 0 A 42 CYS HBy H 1 3.351 0 A 42 CYS HBx H 1 3.006 0 A 42 CYS C C 13 176.274 0 A 42 CYS CA C 13 58.852 0 A 42 CYS CB C 13 31.66 0 A 42 CYS N N 15 117.531 0 A 43 ARG H H 1 8.136 0 A 43 ARG HA H 1 4.221 0 A 43 ARG HBy H 1 2.197 0 A 43 ARG HBx H 1 2.107 0 A 43 ARG HDy H 1 3.196 0 A 43 ARG HDx H 1 3.089 0 A 43 ARG HGx H 1 1.491 0 A 43 ARG HGy H 1 1.627 0 A 43 ARG C C 13 174.812 0 A 43 ARG CA C 13 57.538 0 A 43 ARG CB C 13 26.652 0 A 43 ARG CD C 13 42.932 0 A 43 ARG CG C 13 27.156 0 A 43 ARG N N 15 117.857 0 A 44 GLY H H 1 9.141 0 A 44 GLY HAy H 1 4.503 0 A 44 GLY HAx H 1 3.934 0 A 44 GLY C C 13 173.989 0 A 44 GLY CA C 13 43.553 0 A 44 GLY N N 15 109.745 0 A 45 GLU H H 1 8.59 0 A 45 GLU HA H 1 4.589 0 A 45 GLU HBy H 1 2.322 0 A 45 GLU HBx H 1 1.938 0 A 45 GLU HGx H 1 2.221 0 A 45 GLU HGy H 1 2.327 0 A 45 GLU C C 13 178.579 0 A 45 GLU CA C 13 55.749 0 A 45 GLU CB C 13 31.996 0 A 45 GLU CG C 13 37.03 0 A 45 GLU N N 15 118.809 0 A 46 ALA H H 1 9.026 0 A 46 ALA HA H 1 4.531 0 A 46 ALA HB% H 1 1.343 0 A 46 ALA C C 13 177.412 0 A 46 ALA CA C 13 53.084 0 A 46 ALA CB C 13 20.001 0 A 46 ALA N N 15 124.112 0 A 47 THR H H 1 7.804 0 A 47 THR HA H 1 4.68 0 A 47 THR HB H 1 4.529 0 A 47 THR HG2% H 1 1.174 0 A 47 THR C C 13 176.338 0 A 47 THR CA C 13 59.81 0 A 47 THR CB C 13 71.694 0 A 47 THR CG2 C 13 22.046 0 A 47 THR N N 15 111.787 0 A 48 GLU H H 1 9.009 0 A 48 GLU HA H 1 3.926 0 A 48 GLU HBx H 1 2.009 0 A 48 GLU HBy H 1 2.009 0 A 48 GLU HGx H 1 2.282 0 A 48 GLU HGy H 1 2.282 0 A 48 GLU C C 13 177.281 0 A 48 GLU CA C 13 59.692 0 A 48 GLU CB C 13 29.355 0 A 48 GLU CG C 13 36.2 0 A 48 GLU N N 15 121.604 0 A 49 ASP H H 1 8.075 0 A 49 ASP HA H 1 4.649 0 A 49 ASP HBx H 1 2.661 0 A 49 ASP HBy H 1 2.661 0 A 49 ASP C C 13 174.999 0 A 49 ASP CA C 13 53.704 0 A 49 ASP CB C 13 41.168 0 A 49 ASP N N 15 113.64 0 A 50 ASN H H 1 7.641 0 A 50 ASN HA H 1 5.226 0 A 50 ASN HBx H 1 2.237 0 A 50 ASN HBy H 1 3.14 0 A 50 ASN HD2y H 1 7.152 0 A 50 ASN HD2x H 1 6.467 0 A 50 ASN C C 13 171.07 0 A 50 ASN CA C 13 50.175 0 A 50 ASN CB C 13 38.211 0 A 50 ASN N N 15 119.28 0 A 50 ASN ND2 N 15 110.144 0 A 51 PRO HA H 1 4.598 0 A 51 PRO HBy H 1 2.331 0 A 51 PRO HBx H 1 1.687 0 A 51 PRO HDx H 1 3.466 0 A 51 PRO HDy H 1 3.828 0 A 51 PRO HGx H 1 1.959 0 A 51 PRO HGy H 1 2.019 0 A 51 PRO C C 13 176.849 0 A 51 PRO CA C 13 62.527 0 A 51 PRO CB C 13 32.93 0 A 51 PRO CD C 13 50.398 0 A 51 PRO CG C 13 27.14 0 A 52 LEU H H 1 8.229 0 A 52 LEU HA H 1 4.583 0 A 52 LEU HBy H 1 1.405 0 A 52 LEU HBx H 1 1.008 0 A 52 LEU HDx% H 1 0.263 0 A 52 LEU HDy% H 1 0.028 0 A 52 LEU HG H 1 1.194 0 A 52 LEU C C 13 176.268 0 A 52 LEU CA C 13 53.319 0 A 52 LEU CB C 13 43.616 0 A 52 LEU CDy C 13 25.741 0 A 52 LEU CDx C 13 22.056 0 A 52 LEU CG C 13 26.253 0 A 52 LEU N N 15 116.653 0 A 53 PHE H H 1 8.923 0 A 53 PHE HA H 1 5.033 0 A 53 PHE HBy H 1 3.201 0 A 53 PHE HBx H 1 3.005 0 A 53 PHE HDx H 1 7.33 0 A 53 PHE HDy H 1 7.33 0 A 53 PHE HEx H 1 7.389 0 A 53 PHE HEy H 1 7.389 0 A 53 PHE HZ H 1 7.336 0 A 53 PHE C C 13 174.355 0 A 53 PHE CA C 13 56.115 0 A 53 PHE CB C 13 41.775 0 A 53 PHE CDx C 13 131.61 0 A 53 PHE CDy C 13 131.61 0 A 53 PHE CEx C 13 131.522 0 A 53 PHE CEy C 13 131.522 0 A 53 PHE CZ C 13 129.8 0 A 53 PHE N N 15 120.436 0 A 54 HIS H H 1 9.032 0 A 54 HIS HA H 1 5.625 0 A 54 HIS HBy H 1 3.039 0 A 54 HIS HBx H 1 2.613 0 A 54 HIS CA C 13 50.628 0 A 54 HIS CB C 13 29.486 0 A 54 HIS N N 15 117.573 0 A 55 PRO HA H 1 4.594 0 A 55 PRO HBy H 1 1.999 0 A 55 PRO HBx H 1 1.93 0 A 55 PRO HDx H 1 3.388 0 A 55 PRO HDy H 1 3.867 0 A 55 PRO HGx H 1 1.728 0 A 55 PRO HGy H 1 1.805 0 A 55 PRO C C 13 174.796 0 A 55 PRO CA C 13 63.614 0 A 55 PRO CB C 13 33.489 0 A 55 PRO CD C 13 50.009 0 A 55 PRO CG C 13 26.641 0 A 56 CYS H H 1 8.001 0 A 56 CYS HA H 1 5.086 0 A 56 CYS HBx H 1 2.827 0 A 56 CYS HBy H 1 2.879 0 A 56 CYS C C 13 173.692 0 A 56 CYS CA C 13 57.675 0 A 56 CYS CB C 13 31.064 0 A 56 CYS N N 15 119.946 0 A 57 LYS H H 1 8.129 0 A 57 LYS HA H 1 4.421 0 A 57 LYS HBy H 1 1.786 0 A 57 LYS HBx H 1 1.453 0 A 57 LYS HDy H 1 1.195 0 A 57 LYS HDx H 1 1.012 0 A 57 LYS HEy H 1 2.541 0 A 57 LYS HEx H 1 2.479 0 A 57 LYS HGx H 1 0.628 0 A 57 LYS HGy H 1 0.723 0 A 57 LYS C C 13 177.379 0 A 57 LYS CA C 13 54.715 0 A 57 LYS CB C 13 32.032 0 A 57 LYS CD C 13 28.058 0 A 57 LYS CE C 13 42.106 0 A 57 LYS CG C 13 24.684 0 A 57 LYS N N 15 120.022 0 A 58 CYS H H 1 8.527 0 A 58 CYS HA H 1 3.975 0 A 58 CYS HBx H 1 2.479 0 A 58 CYS HBy H 1 2.479 0 A 58 CYS C C 13 174.748 0 A 58 CYS CA C 13 64.683 0 A 58 CYS CB C 13 30.719 0 A 58 CYS N N 15 125.382 0 A 59 ARG H H 1 8.18 0 A 59 ARG HA H 1 4.397 0 A 59 ARG HBy H 1 1.813 0 A 59 ARG HBx H 1 1.607 0 A 59 ARG HDx H 1 3.097 0 A 59 ARG HDy H 1 3.097 0 A 59 ARG HGy H 1 1.606 0 A 59 ARG HGx H 1 1.505 0 A 59 ARG C C 13 176.564 0 A 59 ARG CA C 13 54.013 0 A 59 ARG CB C 13 33.554 0 A 59 ARG CD C 13 43.243 0 A 59 ARG CG C 13 26.97 0 A 59 ARG N N 15 118.835 0 A 60 GLY H H 1 8.617 0 A 60 GLY HAy H 1 3.973 0 A 60 GLY HAx H 1 3.733 0 A 60 GLY C C 13 176.734 0 A 60 GLY CA C 13 46.212 0 A 60 GLY N N 15 108.153 0 A 61 SER HA H 1 4.324 0 A 61 SER HBx H 1 3.958 0 A 61 SER HBy H 1 4.05 0 A 61 SER C C 13 176.156 0 A 61 SER CA C 13 60.664 0 A 61 SER CB C 13 62.866 0 A 62 ILE H H 1 7.27 0 A 62 ILE HA H 1 4.53 0 A 62 ILE HB H 1 2.164 0 A 62 ILE HD1% H 1 1.01 0 A 62 ILE HG1y H 1 1.397 0 A 62 ILE HG1x H 1 1.112 0 A 62 ILE HG2% H 1 0.872 0 A 62 ILE C C 13 173.973 0 A 62 ILE CA C 13 60.596 0 A 62 ILE CB C 13 37.616 0 A 62 ILE CD1 C 13 15.207 0 A 62 ILE CG1 C 13 27.384 0 A 62 ILE CG2 C 13 18.19 0 A 62 ILE N N 15 114.512 0 A 63 LYS H H 1 6.897 0 A 63 LYS HA H 1 3.497 0 A 63 LYS HBy H 1 1.279 0 A 63 LYS HBx H 1 1.152 0 A 63 LYS HDx H 1 1.267 0 A 63 LYS HDy H 1 1.267 0 A 63 LYS HEy H 1 2.395 0 A 63 LYS HEx H 1 2.292 0 A 63 LYS HGy H 1 0.72 0 A 63 LYS HGx H 1 -0.078 0 A 63 LYS C C 13 175.475 0 A 63 LYS CA C 13 57.972 0 A 63 LYS CB C 13 34.642 0 A 63 LYS CD C 13 30.133 0 A 63 LYS CE C 13 41.944 0 A 63 LYS CG C 13 24.363 0 A 63 LYS N N 15 119.938 0 A 64 TYR H H 1 8.3 0 A 64 TYR HA H 1 5.445 0 A 64 TYR HBx H 1 2.754 0 A 64 TYR HBy H 1 2.754 0 A 64 TYR HDx H 1 6.95 0 A 64 TYR HDy H 1 6.95 0 A 64 TYR HEx H 1 6.757 0 A 64 TYR HEy H 1 6.757 0 A 64 TYR C C 13 176.068 0 A 64 TYR CA C 13 57.164 0 A 64 TYR CB C 13 42.188 0 A 64 TYR CDx C 13 133.757 0 A 64 TYR CDy C 13 133.757 0 A 64 TYR CEx C 13 117.907 0 A 64 TYR CEy C 13 117.907 0 A 64 TYR N N 15 113.838 0 A 65 MET H H 1 9.058 0 A 65 MET HA H 1 5.389 0 A 65 MET HBy H 1 2.13 0 A 65 MET HBx H 1 1.821 0 A 65 MET HE% H 1 1.672 0 A 65 MET HGy H 1 2.499 0 A 65 MET HGx H 1 2.374 0 A 65 MET C C 13 175.847 0 A 65 MET CA C 13 54.978 0 A 65 MET CB C 13 38.759 0 A 65 MET CE C 13 17.189 0 A 65 MET CG C 13 32.074 0 A 65 MET N N 15 115.571 0 A 66 HIS H H 1 8.815 0 A 66 HIS HA H 1 5.197 0 A 66 HIS HBy H 1 3.745 0 A 66 HIS HBx H 1 3.605 0 A 66 HIS HD2 H 1 7.168 0 A 66 HIS HE1 H 1 7.163 0 A 66 HIS HE2 H 1 10.981 0 A 66 HIS CA C 13 57.26 0 A 66 HIS CB C 13 32.631 0 A 66 HIS CD2 C 13 120.405 0 A 66 HIS CE1 C 13 138.009 0 A 66 HIS N N 15 122.384 0 A 66 HIS NE2 N 15 166.295 0 A 67 GLU H H 1 9.641 0 A 67 GLU HA H 1 3.835 0 A 67 GLU HBy H 1 2.2 0 A 67 GLU HBx H 1 1.977 0 A 67 GLU HGy H 1 2.146 0 A 67 GLU HGx H 1 2.039 0 A 67 GLU C C 13 178.256 0 A 67 GLU CA C 13 60.618 0 A 67 GLU CB C 13 29.7 0 A 67 GLU CG C 13 35.9 0 A 67 GLU N N 15 124.765 0 A 68 SER H H 1 8.955 0 A 68 SER HA H 1 4.152 0 A 68 SER HBx H 1 3.991 0 A 68 SER HBy H 1 3.991 0 A 68 SER C C 13 178.002 0 A 68 SER CA C 13 61.362 0 A 68 SER CB C 13 61.452 0 A 68 SER N N 15 113.37 0 A 69 CYS H H 1 6.92 0 A 69 CYS HA H 1 4.16 0 A 69 CYS HBx H 1 2.904 0 A 69 CYS HBy H 1 3.071 0 A 69 CYS C C 13 177.115 0 A 69 CYS CA C 13 63.019 0 A 69 CYS CB C 13 29.086 0 A 69 CYS N N 15 122.727 0 A 70 LEU H H 1 8.262 0 A 70 LEU HA H 1 4.347 0 A 70 LEU HBy H 1 2.294 0 A 70 LEU HBx H 1 1.762 0 A 70 LEU HDx% H 1 0.934 0 A 70 LEU HDy% H 1 1.06 0 A 70 LEU HG H 1 1.783 0 A 70 LEU C C 13 178.544 0 A 70 LEU CA C 13 58.577 0 A 70 LEU CB C 13 41.451 0 A 70 LEU CDy C 13 25.961 0 A 70 LEU CDx C 13 23.949 0 A 70 LEU CG C 13 27.744 0 A 70 LEU N N 15 122.241 0 A 71 LEU H H 1 8.462 0 A 71 LEU HA H 1 4.122 0 A 71 LEU HBy H 1 2.008 0 A 71 LEU HBx H 1 1.549 0 A 71 LEU HDx% H 1 0.947 0 A 71 LEU HDy% H 1 0.892 0 A 71 LEU HG H 1 1.964 0 A 71 LEU C C 13 180.508 0 A 71 LEU CA C 13 58.22 0 A 71 LEU CB C 13 40.824 0 A 71 LEU CDy C 13 25.376 0 A 71 LEU CDx C 13 22.376 0 A 71 LEU CG C 13 27.112 0 A 71 LEU N N 15 119.025 0 A 72 GLU H H 1 8.18 0 A 72 GLU HA H 1 4.173 0 A 72 GLU HBy H 1 2.265 0 A 72 GLU HBx H 1 2.199 0 A 72 GLU HGy H 1 2.475 0 A 72 GLU HGx H 1 2.319 0 A 72 GLU C C 13 179.009 0 A 72 GLU CA C 13 59.167 0 A 72 GLU CB C 13 29.528 0 A 72 GLU CG C 13 36.264 0 A 72 GLU N N 15 120.884 0 A 73 TRP H H 1 8.402 0 A 73 TRP HA H 1 4.375 0 A 73 TRP HBy H 1 3.842 0 A 73 TRP HBx H 1 3.361 0 A 73 TRP HD1 H 1 7.34 0 A 73 TRP HE1 H 1 10.319 0 A 73 TRP HE3 H 1 7.713 0 A 73 TRP HH2 H 1 7.201 0 A 73 TRP HZ2 H 1 7.576 0 A 73 TRP HZ3 H 1 6.79 0 A 73 TRP C C 13 179.478 0 A 73 TRP CA C 13 61.361 0 A 73 TRP CB C 13 27.913 0 A 73 TRP CD1 C 13 127.165 0 A 73 TRP CE3 C 13 120.806 0 A 73 TRP CH2 C 13 124.267 0 A 73 TRP CZ2 C 13 114.728 0 A 73 TRP CZ3 C 13 120.936 0 A 73 TRP N N 15 123.815 0 A 73 TRP NE1 N 15 130.321 0 A 74 VAL H H 1 8.941 0 A 74 VAL HA H 1 3.06 0 A 74 VAL HB H 1 2.24 0 A 74 VAL HGx% H 1 1.208 0 A 74 VAL HGy% H 1 0.897 0 A 74 VAL C C 13 178.383 0 A 74 VAL CA C 13 66.676 0 A 74 VAL CB C 13 31.652 0 A 74 VAL CGy C 13 23.281 0 A 74 VAL CGx C 13 22.49 0 A 74 VAL N N 15 119.873 0 A 75 ALA H H 1 7.948 0 A 75 ALA HA H 1 4.236 0 A 75 ALA HB% H 1 1.538 0 A 75 ALA C C 13 181.503 0 A 75 ALA CA C 13 54.882 0 A 75 ALA CB C 13 17.722 0 A 75 ALA N N 15 121.564 0 A 76 SER H H 1 8.033 0 A 76 SER HA H 1 4.3 0 A 76 SER HBy H 1 4.05 0 A 76 SER HBx H 1 4.011 0 A 76 SER C C 13 174.997 0 A 76 SER CA C 13 60.689 0 A 76 SER CB C 13 62.845 0 A 76 SER N N 15 115.689 0 A 77 LYS H H 1 7.275 0 A 77 LYS HA H 1 4.196 0 A 77 LYS HBx H 1 1.511 0 A 77 LYS HBy H 1 1.78 0 A 77 LYS HDx H 1 1.154 0 A 77 LYS HDy H 1 1.154 0 A 77 LYS HEy H 1 2.671 0 A 77 LYS HEx H 1 2.365 0 A 77 LYS HGy H 1 0.94 0 A 77 LYS HGx H 1 0.799 0 A 77 LYS C C 13 175.996 0 A 77 LYS CA C 13 55.087 0 A 77 LYS CB C 13 31.598 0 A 77 LYS CD C 13 28.023 0 A 77 LYS CE C 13 41.475 0 A 77 LYS CG C 13 23.45 0 A 77 LYS N N 15 120.718 0 A 78 ASN H H 1 8.044 0 A 78 ASN HA H 1 4.347 0 A 78 ASN HBx H 1 2.751 0 A 78 ASN HBy H 1 3.011 0 A 78 ASN HD2y H 1 7.466 0 A 78 ASN HD2x H 1 6.775 0 A 78 ASN C C 13 174.093 0 A 78 ASN CA C 13 54.062 0 A 78 ASN CB C 13 37.094 0 A 78 ASN N N 15 115.506 0 A 78 ASN ND2 N 15 112.26 0 A 79 ILE H H 1 7.235 0 A 79 ILE HA H 1 4.032 0 A 79 ILE HB H 1 1.537 0 A 79 ILE HD1% H 1 0.739 0 A 79 ILE HG1y H 1 1.304 0 A 79 ILE HG1x H 1 0.959 0 A 79 ILE HG2% H 1 0.663 0 A 79 ILE C C 13 174.86 0 A 79 ILE CA C 13 60.386 0 A 79 ILE CB C 13 39.354 0 A 79 ILE CD1 C 13 13.367 0 A 79 ILE CG1 C 13 27.146 0 A 79 ILE CG2 C 13 17.263 0 A 79 ILE N N 15 118.216 0 A 80 ASP H H 1 8.397 0 A 80 ASP HA H 1 4.661 0 A 80 ASP HBy H 1 2.815 0 A 80 ASP HBx H 1 2.538 0 A 80 ASP C C 13 176.862 0 A 80 ASP CA C 13 52.63 0 A 80 ASP CB C 13 40.613 0 A 80 ASP N N 15 125.623 0 A 81 ILE H H 1 8.107 0 A 81 ILE HA H 1 4.086 0 A 81 ILE HB H 1 1.895 0 A 81 ILE HD1% H 1 0.65 0 A 81 ILE HG1y H 1 1.221 0 A 81 ILE HG1x H 1 1.088 0 A 81 ILE HG2% H 1 0.719 0 A 81 ILE C C 13 175.942 0 A 81 ILE CA C 13 61.676 0 A 81 ILE CB C 13 38.026 0 A 81 ILE CD1 C 13 14.218 0 A 81 ILE CG1 C 13 26.673 0 A 81 ILE CG2 C 13 18.567 0 A 81 ILE N N 15 120.855 0 A 82 SER H H 1 8.487 0 A 82 SER HA H 1 4.296 0 A 82 SER HBx H 1 3.841 0 A 82 SER HBy H 1 3.961 0 A 82 SER C C 13 174.374 0 A 82 SER CA C 13 59.63 0 A 82 SER CB C 13 63.682 0 A 82 SER N N 15 117.63 0 A 83 LYS H H 1 7.303 0 A 83 LYS HA H 1 4.642 0 A 83 LYS HBx H 1 1.685 0 A 83 LYS HBy H 1 1.788 0 A 83 LYS HDx H 1 1.644 0 A 83 LYS HDy H 1 1.644 0 A 83 LYS HEx H 1 2.973 0 A 83 LYS HEy H 1 2.973 0 A 83 LYS HGx H 1 1.329 0 A 83 LYS HGy H 1 1.414 0 A 83 LYS C C 13 174.067 0 A 83 LYS CA C 13 53.418 0 A 83 LYS CB C 13 32.686 0 A 83 LYS CD C 13 29.037 0 A 83 LYS CE C 13 42.116 0 A 83 LYS CG C 13 24.447 0 A 83 LYS N N 15 123.27 0 A 84 PRO HA H 1 4.364 0 A 84 PRO HBy H 1 2.277 0 A 84 PRO HBx H 1 1.875 0 A 84 PRO HDx H 1 3.605 0 A 84 PRO HDy H 1 3.881 0 A 84 PRO HGx H 1 1.984 0 A 84 PRO HGy H 1 2.057 0 A 84 PRO C C 13 177.882 0 A 84 PRO CA C 13 63.404 0 A 84 PRO CB C 13 31.851 0 A 84 PRO CD C 13 50.585 0 A 84 PRO CG C 13 27.551 0 A 85 GLY H H 1 8.734 0 A 85 GLY HAy H 1 4.031 0 A 85 GLY HAx H 1 3.766 0 A 85 GLY C C 13 174.369 0 A 85 GLY CA C 13 45.423 0 A 85 GLY N N 15 110.824 0 A 86 ALA H H 1 7.758 0 A 86 ALA HA H 1 4.196 0 A 86 ALA HB% H 1 1.344 0 A 86 ALA C C 13 176.903 0 A 86 ALA CA C 13 52.738 0 A 86 ALA CB C 13 19.474 0 A 86 ALA N N 15 123.451 0 A 87 ASP H H 1 8.337 0 A 87 ASP HA H 1 4.673 0 A 87 ASP HBy H 1 2.662 0 A 87 ASP HBx H 1 2.501 0 A 87 ASP C C 13 175.099 0 A 87 ASP CA C 13 53.589 0 A 87 ASP CB C 13 41.569 0 A 87 ASP N N 15 121.067 0 A 88 VAL H H 1 8.54 0 A 88 VAL HA H 1 4.143 0 A 88 VAL HB H 1 2.183 0 A 88 VAL HGx% H 1 0.974 0 A 88 VAL HGy% H 1 0.947 0 A 88 VAL C C 13 174.514 0 A 88 VAL CA C 13 61.651 0 A 88 VAL CB C 13 32.922 0 A 88 VAL CGy C 13 21.692 0 A 88 VAL CGx C 13 21.587 0 A 88 VAL N N 15 122.712 0 A 89 LYS H H 1 8.462 0 A 89 LYS HA H 1 4.776 0 A 89 LYS HBy H 1 1.544 0 A 89 LYS HBx H 1 1.337 0 A 89 LYS HDy H 1 1.555 0 A 89 LYS HDx H 1 1.475 0 A 89 LYS HEx H 1 2.902 0 A 89 LYS HEy H 1 2.902 0 A 89 LYS HGy H 1 1.325 0 A 89 LYS HGx H 1 1.005 0 A 89 LYS C C 13 175.938 0 A 89 LYS CA C 13 54.478 0 A 89 LYS CB C 13 34.941 0 A 89 LYS CD C 13 29.049 0 A 89 LYS CE C 13 42.076 0 A 89 LYS CG C 13 25.222 0 A 89 LYS N N 15 125.461 0 A 90 CYS H H 1 8.317 0 A 90 CYS HA H 1 4.183 0 A 90 CYS HBy H 1 3.474 0 A 90 CYS HBx H 1 2.769 0 A 90 CYS C C 13 177.351 0 A 90 CYS CA C 13 60.039 0 A 90 CYS CB C 13 31.778 0 A 90 CYS N N 15 124.38 0 A 91 ASP H H 1 8.561 0 A 91 ASP HA H 1 4.424 0 A 91 ASP HBy H 1 2.826 0 A 91 ASP HBx H 1 2.733 0 A 91 ASP C C 13 174.681 0 A 91 ASP CA C 13 56.06 0 A 91 ASP CB C 13 40.807 0 A 91 ASP N N 15 128.191 0 A 92 ILE H H 1 9.424 0 A 92 ILE HA H 1 3.879 0 A 92 ILE HB H 1 1.719 0 A 92 ILE HD1% H 1 0.707 0 A 92 ILE HG1y H 1 1.413 0 A 92 ILE HG1x H 1 0.965 0 A 92 ILE HG2% H 1 0.757 0 A 92 ILE C C 13 176.68 0 A 92 ILE CA C 13 63.083 0 A 92 ILE CB C 13 38.183 0 A 92 ILE CD1 C 13 12.015 0 A 92 ILE CG1 C 13 27.174 0 A 92 ILE CG2 C 13 18.38 0 A 92 ILE N N 15 122.766 0 A 93 CYS H H 1 8.272 0 A 93 CYS HA H 1 4.622 0 A 93 CYS HBx H 1 3.125 0 A 93 CYS HBy H 1 3.25 0 A 93 CYS C C 13 176.641 0 A 93 CYS CA C 13 58.994 0 A 93 CYS CB C 13 30.841 0 A 93 CYS N N 15 117.96 0 A 94 HIS H H 1 7.147 0 A 94 HIS HA H 1 4.642 0 A 94 HIS HBx H 1 3.305 0 A 94 HIS HBy H 1 3.549 0 A 94 HIS CA C 13 56.845 0 A 94 HIS CB C 13 26.048 0 A 94 HIS N N 15 114.083 0 A 95 TYR H H 1 8.587 0 A 95 TYR HA H 1 4.848 0 A 95 TYR HBy H 1 3.346 0 A 95 TYR HBx H 1 3.059 0 A 95 TYR HDx H 1 7.271 0 A 95 TYR HDy H 1 7.271 0 A 95 TYR HEx H 1 6.875 0 A 95 TYR HEy H 1 6.875 0 A 95 TYR C C 13 173.495 0 A 95 TYR CA C 13 57.345 0 A 95 TYR CB C 13 39.716 0 A 95 TYR CDx C 13 133.865 0 A 95 TYR CDy C 13 133.865 0 A 95 TYR CEx C 13 118.264 0 A 95 TYR CEy C 13 118.264 0 A 95 TYR N N 15 122.437 0 A 96 PRO HA H 1 4.568 0 A 96 PRO HBy H 1 2.214 0 A 96 PRO HBx H 1 1.746 0 A 96 PRO HDx H 1 3.275 0 A 96 PRO HDy H 1 3.737 0 A 96 PRO HGx H 1 1.819 0 A 96 PRO HGy H 1 2.015 0 A 96 PRO C C 13 175.398 0 A 96 PRO CA C 13 62.599 0 A 96 PRO CB C 13 31.939 0 A 96 PRO CD C 13 50.974 0 A 96 PRO CG C 13 27.944 0 A 97 ILE H H 1 8.293 0 A 97 ILE HA H 1 4.004 0 A 97 ILE HB H 1 1.638 0 A 97 ILE HD1% H 1 0.636 0 A 97 ILE HG1y H 1 1.601 0 A 97 ILE HG1x H 1 1.055 0 A 97 ILE HG2% H 1 0.471 0 A 97 ILE C C 13 175.667 0 A 97 ILE CA C 13 60.285 0 A 97 ILE CB C 13 38.237 0 A 97 ILE CD1 C 13 12.594 0 A 97 ILE CG1 C 13 28.58 0 A 97 ILE CG2 C 13 17.979 0 A 97 ILE N N 15 123.907 0 A 98 GLN H H 1 8.797 0 A 98 GLN HA H 1 4.474 0 A 98 GLN HBx H 1 1.931 0 A 98 GLN HBy H 1 1.998 0 A 98 GLN HE2y H 1 7.478 0 A 98 GLN HE2x H 1 6.892 0 A 98 GLN HGx H 1 2.295 0 A 98 GLN HGy H 1 2.295 0 A 98 GLN C C 13 174.202 0 A 98 GLN CA C 13 54.365 0 A 98 GLN CB C 13 30.049 0 A 98 GLN CG C 13 33.8 0 A 98 GLN N N 15 127.11 0 A 98 GLN NE2 N 15 112.908 0 A 99 PHE H H 1 8.324 0 A 99 PHE HA H 1 4.537 0 A 99 PHE HBy H 1 2.987 0 A 99 PHE HBx H 1 2.811 0 A 99 PHE HDx H 1 7.188 0 A 99 PHE HDy H 1 7.188 0 A 99 PHE HEx H 1 7.142 0 A 99 PHE HEy H 1 7.142 0 A 99 PHE HZ H 1 7.045 0 A 99 PHE C C 13 175.135 0 A 99 PHE CA C 13 57.737 0 A 99 PHE CB C 13 40.166 0 A 99 PHE CDx C 13 132.242 0 A 99 PHE CDy C 13 132.242 0 A 99 PHE CEx C 13 130.872 0 A 99 PHE CEy C 13 130.872 0 A 99 PHE CZ C 13 128.905 0 A 99 PHE N N 15 121.948 0 A 100 LYS H H 1 8.327 0 A 100 LYS HA H 1 4.317 0 A 100 LYS HBx H 1 1.595 0 A 100 LYS HBy H 1 1.761 0 A 100 LYS HDx H 1 1.574 0 A 100 LYS HDy H 1 1.574 0 A 100 LYS HEx H 1 2.901 0 A 100 LYS HEy H 1 2.901 0 A 100 LYS HGx H 1 1.275 0 A 100 LYS HGy H 1 1.275 0 A 100 LYS C C 13 175.645 0 A 100 LYS CA C 13 56.193 0 A 100 LYS CB C 13 33.126 0 A 100 LYS CD C 13 29.057 0 A 100 LYS CE C 13 42.051 0 A 100 LYS CG C 13 24.487 0 A 100 LYS N N 15 122.365 0 A 101 THR H H 1 7.836 0 A 101 THR HA H 1 4.129 0 A 101 THR HB H 1 4.215 0 A 101 THR HG2% H 1 1.123 0 A 101 THR C C 13 179.219 0 A 101 THR CA C 13 63.058 0 A 101 THR CB C 13 70.574 0 A 101 THR CG2 C 13 22.093 0 A 101 THR N N 15 121.021 0 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 47 THR HB A 48 GLU HA 1.0 . 5.50 2 2 A 47 THR HB A 48 GLU HGx 1.0 . 5.50 3 2 A 47 THR HB A 48 GLU HGy 1.0 . 5.50 4 3 A 47 THR HB A 48 GLU HBx 1.0 . 4.46 5 3 A 47 THR HB A 48 GLU HBy 1.0 . 4.46 6 4 A 38 THR HB A 39 CYS HBx 1.0 . 5.37 7 5 A 38 THR HB A 52 LEU HDx% 1.0 . 5.50 8 6 A 24 THR HB A 25 ASP H 1.0 . 4.38 9 7 A 26 THR HB A 27 ALA H 1.0 . 5.50 10 8 A 24 THR HB A 24 THR H 1.0 . 4.09 11 9 A 58 CYS HA A 59 ARG H 1.0 . 3.32 12 10 A 83 LYS H A 82 SER HBx 1.0 . 4.90 13 11 A 83 LYS H A 82 SER HBy 1.0 . 4.90 14 12 A 73 TRP HE3 A 74 VAL HA 1.0 . 4.04 15 13 A 58 CYS HA A 57 LYS HA 1.0 . 5.50 16 14 A 58 CYS HA A 59 ARG HA 1.0 . 5.50 17 15 A 58 CYS HA A 93 CYS HBy 1.0 . 4.03 18 16 A 58 CYS HA A 93 CYS HBx 1.0 . 4.10 19 17 A 58 CYS HA A 58 CYS HBx 1.0 . 2.96 20 17 A 58 CYS HA A 58 CYS HBy 1.0 . 2.96 21 18 A 58 CYS HA A 57 LYS HBx 1.0 . 5.50 22 19 A 74 VAL HA A 77 LYS HBy 1.0 . 4.88 23 20 A 84 PRO HA A 86 ALA HB% 1.0 . 5.50 24 21 A 74 VAL HA A 74 VAL HGx% 1.0 . 2.85 25 22 A 74 VAL HA A 77 LYS HGx 1.0 . 2.74 26 23 A 55 PRO HA A 97 ILE HG2% 1.0 . 5.47 27 24 A 58 CYS HA A 92 ILE HG2% 1.0 . 5.50 28 25 A 35 SER HA A 36 GLY H 1.0 . 3.46 29 26 A 73 TRP HA A 76 SER H 1.0 . 4.80 30 27 A 69 CYS HA A 72 GLU H 1.0 . 3.95 31 28 A 76 SER H A 76 SER HBy 1.0 . 3.88 32 29 A 76 SER H A 76 SER HBx 1.0 . 3.88 33 30 A 67 GLU HA A 70 LEU H 1.0 . 4.86 34 31 A 62 ILE H A 61 SER HBx 1.0 . 5.20 35 32 A 76 SER HA A 77 LYS H 1.0 . 3.52 36 33 A 48 GLU HA A 50 ASN H 1.0 . 4.64 37 34 A 35 SER HA A 37 ALA H 1.0 . 4.22 38 35 A 61 SER HA A 63 LYS H 1.0 . 3.81 39 36 A 89 LYS HA A 96 PRO HA 1.0 . 3.40 40 37 A 80 ASP HA A 81 ILE HA 1.0 . 4.77 41 38 A 68 SER HA A 68 SER HBx 1.0 . 2.68 42 38 A 68 SER HA A 68 SER HBy 1.0 . 2.68 43 39 A 40 ARG HDx A 62 ILE HA 1.0 . 4.48 44 40 A 69 CYS HA A 72 GLU HGy 1.0 . 4.58 45 41 A 92 ILE HA A 91 ASP HBy 1.0 . 5.50 46 42 A 62 ILE HA A 40 ARG HBy 1.0 . 3.88 47 43 A 69 CYS HA A 72 GLU HBy 1.0 . 3.24 48 44 A 68 SER HA A 71 LEU HBx 1.0 . 3.75 49 45 A 81 ILE HA A 81 ILE HB 1.0 . 2.95 50 46 A 97 ILE HA A 98 GLN HGx 1.0 . 4.57 51 46 A 97 ILE HA A 98 GLN HGy 1.0 . 4.57 52 47 A 97 ILE HA A 55 PRO HBy 1.0 . 4.48 53 48 A 48 GLU HA A 48 GLU HGx 1.0 . 3.40 54 48 A 48 GLU HA A 48 GLU HGy 1.0 . 3.40 55 49 A 48 GLU HA A 48 GLU HBx 1.0 . 2.89 56 49 A 48 GLU HA A 48 GLU HBy 1.0 . 2.89 57 50 A 67 GLU HA A 70 LEU HBx 1.0 . 4.07 58 51 A 46 ALA HB% A 51 PRO HA 1.0 . 2.90 59 52 A 47 THR HA A 47 THR HG2% 1.0 . 3.50 60 53 A 24 THR HA A 24 THR HG2% 1.0 . 3.40 61 54 A 19 VAL HA A 20 ALA HB% 1.0 . 4.55 62 55 A 86 ALA HB% A 81 ILE HA 1.0 . 3.90 63 56 A 76 SER HA A 75 ALA HB% 1.0 . 4.77 64 57 A 79 ILE HA A 79 ILE HG1y 1.0 . 3.33 65 58 A 92 ILE HA A 92 ILE HG1y 1.0 . 3.18 66 59 A 96 PRO HA A 97 ILE HD1% 1.0 . 4.88 67 60 A 33 ALA HB% A 34 PRO HA 1.0 . 4.60 68 61 A 73 TRP HA A 41 ILE HD1% 1.0 . 4.86 69 62 A 41 ILE HD1% A 41 ILE HA 1.0 . 3.88 70 63 A 81 ILE HA A 81 ILE HG2% 1.0 . 2.75 71 64 A 61 SER HA A 37 ALA HB% 1.0 . 5.14 72 65 A 61 SER HA A 62 ILE HG2% 1.0 . 5.50 73 66 A 79 ILE HA A 79 ILE HG2% 1.0 . 2.88 74 67 A 97 ILE HD1% A 90 CYS HA 1.0 . 3.63 75 68 A 97 ILE HG2% A 97 ILE HA 1.0 . 3.30 76 69 A 92 ILE HG2% A 92 ILE HA 1.0 . 2.74 77 70 A 70 LEU HA A 74 VAL H 1.0 . 5.10 78 71 A 45 GLU HA A 46 ALA H 1.0 . 3.10 79 72 A 74 VAL H A 71 LEU HA 1.0 . 4.41 80 73 A 39 CYS HA A 41 ILE H 1.0 . 4.01 81 74 A 39 CYS HA A 66 HIS H 1.0 . 4.41 82 75 A 56 CYS HA A 57 LYS H 1.0 . 3.56 83 76 A 70 LEU HA A 73 TRP H 1.0 . 3.75 84 77 A 99 PHE HA A 100 LYS H 1.0 . 2.91 85 78 A 24 THR H A 23 GLU HA 1.0 . 3.42 86 79 A 45 GLU HA A 39 CYS H 1.0 . 5.23 87 80 A 45 GLU HA A 38 THR H 1.0 . 4.71 88 81 A 72 GLU HA A 75 ALA H 1.0 . 3.91 89 82 A 71 LEU HA A 75 ALA H 1.0 . 4.97 90 83 A 43 ARG H A 43 ARG HA 1.0 . 2.84 91 84 A 22 GLU HA A 23 GLU H 1.0 . 3.32 92 85 A 73 TRP HE3 A 70 LEU HA 1.0 . 3.72 93 86 A 91 ASP HA A 94 HIS H 1.0 . 3.76 94 87 A 53 PHE HA A 54 HIS HA 1.0 . 4.91 95 88 A 39 CYS HA A 65 MET HA 1.0 . 3.28 96 89 A 57 LYS HA A 56 CYS HA 1.0 . 4.90 97 90 A 52 LEU HA A 66 HIS HA 1.0 . 3.72 98 91 A 53 PHE HA A 52 LEU HA 1.0 . 5.29 99 92 A 62 ILE HA A 40 ARG HA 1.0 . 5.24 100 93 A 39 CYS HA A 38 THR HA 1.0 . 4.49 101 94 A 97 ILE HA A 56 CYS HA 1.0 . 4.87 102 95 A 56 CYS HA A 95 TYR HBy 1.0 . 4.26 103 96 A 93 CYS HBy A 93 CYS HA 1.0 . 3.01 104 97 A 70 LEU HA A 73 TRP HBy 1.0 . 3.67 105 98 A 92 ILE HA A 91 ASP HA 1.0 . 4.77 106 99 A 39 CYS HA A 40 ARG HA 1.0 . 4.60 107 100 A 38 THR HB A 43 ARG HA 1.0 . 3.45 108 101 A 56 CYS HA A 54 HIS HBy 1.0 . 5.50 109 102 A 56 CYS HA A 56 CYS HBy 1.0 . 2.74 110 103 A 56 CYS HA A 56 CYS HBx 1.0 . 2.99 111 104 A 53 PHE HA A 54 HIS HBx 1.0 . 4.88 112 105 A 93 CYS HBx A 93 CYS HA 1.0 . 3.02 113 106 A 38 THR HA A 39 CYS HBy 1.0 . 4.82 114 107 A 40 ARG HDx A 40 ARG HA 1.0 . 4.85 115 108 A 39 CYS HA A 64 TYR HBx 1.0 . 4.25 116 108 A 39 CYS HA A 64 TYR HBy 1.0 . 4.25 117 109 A 56 CYS HA A 55 PRO HGx 1.0 . 5.06 118 110 A 93 CYS HA A 92 ILE HB 1.0 . 4.35 119 111 A 70 LEU HA A 70 LEU HG 1.0 . 3.55 120 112 A 70 LEU HBx A 71 LEU HA 1.0 . 4.94 121 113 A 22 GLU HA A 22 GLU HGx 1.0 . 3.31 122 113 A 22 GLU HA A 22 GLU HGy 1.0 . 3.31 123 114 A 38 THR HA A 38 THR HG2% 1.0 . 2.99 124 115 A 46 ALA HB% A 45 GLU HA 1.0 . 5.11 125 116 A 45 GLU HA A 38 THR HG2% 1.0 . 3.90 126 117 A 75 ALA HB% A 72 GLU HA 1.0 . 2.95 127 118 A 74 VAL HGx% A 71 LEU HA 1.0 . 4.29 128 119 A 71 LEU HA A 71 LEU HDy% 1.0 . 4.32 129 120 A 71 LEU HA A 74 VAL HGy% 1.0 . 3.06 130 121 A 43 ARG HA A 43 ARG HGx 1.0 . 3.82 131 122 A 43 ARG HA A 38 THR HG2% 1.0 . 4.65 132 123 A 100 LYS HA A 100 LYS HDx 1.0 . 3.60 133 123 A 100 LYS HA A 100 LYS HDy 1.0 . 3.60 134 124 A 100 LYS HA A 100 LYS HGx 1.0 . 3.59 135 124 A 100 LYS HA A 100 LYS HGy 1.0 . 3.59 136 125 A 92 ILE HG2% A 93 CYS HA 1.0 . 3.67 137 126 A 41 ILE HD1% A 70 LEU HA 1.0 . 3.90 138 127 A 52 LEU HDx% A 38 THR HA 1.0 . 3.62 139 128 A 52 LEU HDx% A 45 GLU HA 1.0 . 4.41 140 129 A 62 ILE HG2% A 40 ARG HA 1.0 . 4.89 141 130 A 52 LEU HDx% A 39 CYS HA 1.0 . 4.78 142 131 A 66 HIS HA A 52 LEU HDy% 1.0 . 3.57 143 132 A 38 THR HA A 52 LEU HDy% 1.0 . 4.33 144 133 A 39 CYS HA A 52 LEU HDy% 1.0 . 3.23 145 134 A 66 HIS H A 65 MET HA 1.0 . 3.19 146 135 A 98 GLN HA A 99 PHE H 1.0 . 3.14 147 136 A 78 ASN H A 78 ASN HA 1.0 . 2.58 148 137 A 80 ASP HA A 81 ILE H 1.0 . 2.76 149 138 A 78 ASN H A 77 LYS HA 1.0 . 3.40 150 139 A 86 ALA HA A 87 ASP H 1.0 . 2.92 151 140 A 46 ALA HA A 47 THR H 1.0 . 2.93 152 141 A 46 ALA HA A 66 HIS HD2 1.0 . 4.07 153 142 A 38 THR HA A 37 ALA HA 1.0 . 5.03 154 143 A 65 MET HA A 66 HIS HBy 1.0 . 5.49 155 144 A 97 ILE HA A 98 GLN HA 1.0 . 4.57 156 145 A 98 GLN HA A 99 PHE HBx 1.0 . 5.50 157 146 A 59 ARG HA A 59 ARG HDx 1.0 . 4.06 158 146 A 59 ARG HA A 59 ARG HDy 1.0 . 4.06 159 147 A 98 GLN HA A 99 PHE HBy 1.0 . 5.50 160 148 A 74 VAL HA A 75 ALA HA 1.0 . 5.06 161 149 A 77 LYS HA A 78 ASN HBx 1.0 . 5.27 162 150 A 77 LYS HA A 78 ASN HBy 1.0 . 5.27 163 151 A 86 ALA HA A 87 ASP HBy 1.0 . 5.22 164 152 A 86 ALA HA A 87 ASP HBx 1.0 . 5.22 165 153 A 75 ALA HA A 74 VAL HB 1.0 . 4.87 166 154 A 57 LYS HA A 57 LYS HDy 1.0 . 3.12 167 155 A 77 LYS HA A 77 LYS HDx 1.0 . 2.91 168 155 A 77 LYS HA A 77 LYS HDy 1.0 . 2.91 169 156 A 77 LYS HGx A 77 LYS HA 1.0 . 4.03 170 157 A 57 LYS HA A 57 LYS HGx 1.0 . 3.58 171 158 A 33 ALA HB% A 32 ASP HA 1.0 . 4.67 172 159 A 97 ILE HG2% A 98 GLN HA 1.0 . 4.67 173 160 A 52 LEU HDx% A 52 LEU HA 1.0 . 5.50 174 161 A 52 LEU HDx% A 46 ALA HA 1.0 . 4.74 175 162 A 77 LYS HA A 77 LYS HGy 1.0 . 3.52 176 163 A 79 ILE HG2% A 86 ALA HA 1.0 . 4.63 177 164 A 65 MET HA A 52 LEU HDy% 1.0 . 3.95 178 165 A 52 LEU HA A 52 LEU HDy% 1.0 . 3.31 179 166 A 83 LYS H A 84 PRO HDx 1.0 . 5.41 180 167 A 33 ALA HA A 64 TYR HE% 1.0 . 4.83 181 168 A 64 TYR HE% A 34 PRO HDx 1.0 . 4.57 182 169 A 64 TYR HE% A 34 PRO HDy 1.0 . 4.47 183 170 A 54 HIS HA A 64 TYR HA 1.0 . 4.25 184 171 A 49 ASP HA A 50 ASN HA 1.0 . 4.91 185 172 A 83 LYS HA A 84 PRO HDx 1.0 . 3.22 186 173 A 83 LYS HA A 84 PRO HDy 1.0 . 3.22 187 174 A 33 ALA HA A 34 PRO HDx 1.0 . 3.07 188 175 A 33 ALA HA A 34 PRO HDy 1.0 . 3.17 189 176 A 54 HIS HA A 55 PRO HDx 1.0 . 3.67 190 177 A 54 HIS HA A 55 PRO HDy 1.0 . 3.67 191 178 A 50 ASN HA A 51 PRO HDx 1.0 . 2.96 192 179 A 50 ASN HA A 51 PRO HDy 1.0 . 3.09 193 180 A 96 PRO HDx A 89 LYS HEx 1.0 . 4.68 194 180 A 89 LYS HEy A 96 PRO HDx 1.0 . 4.68 195 181 A 51 PRO HDy A 50 ASN HBy 1.0 . 5.50 196 182 A 95 TYR HBx A 96 PRO HDy 1.0 . 4.28 197 183 A 96 PRO HDy A 89 LYS HEx 1.0 . 4.60 198 183 A 89 LYS HEy A 96 PRO HDy 1.0 . 4.60 199 184 A 33 ALA HA A 34 PRO HBx 1.0 . 5.01 200 185 A 40 ARG HDx A 40 ARG H 1.0 . 4.97 201 186 A 44 GLY HAy A 45 GLU H 1.0 . 3.18 202 187 A 45 GLU H A 44 GLY HAx 1.0 . 3.14 203 188 A 52 LEU H A 52 LEU HBy 1.0 . 3.93 204 189 A 62 ILE HA A 40 ARG HDy 1.0 . 5.50 205 190 A 40 ARG HA A 40 ARG HDy 1.0 . 4.86 206 191 A 39 CYS HBy A 44 GLY HAx 1.0 . 5.13 207 192 A 64 TYR HBy A 52 LEU HBx 1.0 . 3.68 208 192 A 52 LEU HBx A 64 TYR HBx 1.0 . 3.68 209 193 A 44 GLY HAy A 45 GLU HBy 1.0 . 5.22 210 194 A 44 GLY HAx A 45 GLU HBy 1.0 . 5.36 211 195 A 38 THR HG2% A 44 GLY HAy 1.0 . 4.90 212 196 A 38 THR HG2% A 44 GLY HAx 1.0 . 5.09 213 197 A 40 ARG HDx A 62 ILE HD1% 1.0 . 5.50 214 198 A 40 ARG HDy A 41 ILE HG2% 1.0 . 5.50 215 199 A 40 ARG HDy A 62 ILE HD1% 1.0 . 5.50 216 200 A 37 ALA HB% A 36 GLY HAy 1.0 . 4.96 217 201 A 37 ALA HB% A 36 GLY HAx 1.0 . 4.96 218 202 A 40 ARG HDx A 41 ILE HD1% 1.0 . 5.50 219 203 A 41 ILE HD1% A 40 ARG HDy 1.0 . 4.74 220 204 A 37 ALA HB% A 52 LEU HBy 1.0 . 4.47 221 205 A 52 LEU HDx% A 52 LEU HBy 1.0 . 3.46 222 206 A 37 ALA HB% A 52 LEU HBx 1.0 . 4.47 223 207 A 52 LEU HDx% A 52 LEU HBx 1.0 . 3.46 224 208 A 52 LEU HDy% A 52 LEU HBy 1.0 . 3.60 225 209 A 52 LEU HDy% A 52 LEU HBx 1.0 . 3.60 226 210 A 54 HIS H A 53 PHE HBx 1.0 . 3.95 227 211 A 92 ILE H A 91 ASP HBy 1.0 . 5.15 228 212 A 92 ILE H A 91 ASP HBx 1.0 . 5.15 229 213 A 43 ARG H A 43 ARG HDy 1.0 . 5.50 230 214 A 43 ARG H A 43 ARG HDx 1.0 . 5.50 231 215 A 95 TYR HBy A 95 TYR H 1.0 . 3.31 232 216 A 95 TYR HBx A 95 TYR H 1.0 . 3.80 233 217 A 88 VAL H A 87 ASP HBy 1.0 . 4.60 234 218 A 87 ASP H A 87 ASP HBy 1.0 . 4.15 235 219 A 32 ASP H A 32 ASP HBy 1.0 . 3.69 236 220 A 99 PHE H A 99 PHE HBy 1.0 . 3.42 237 221 A 88 VAL H A 87 ASP HBx 1.0 . 4.60 238 222 A 70 LEU HBy A 71 LEU H 1.0 . 4.23 239 223 A 87 ASP H A 87 ASP HBx 1.0 . 4.15 240 224 A 32 ASP H A 32 ASP HBx 1.0 . 3.69 241 225 A 70 LEU HBx A 71 LEU H 1.0 . 4.71 242 226 A 71 LEU HBx A 71 LEU H 1.0 . 3.61 243 227 A 72 GLU H A 71 LEU HBx 1.0 . 3.66 244 228 A 72 GLU H A 71 LEU HBy 1.0 . 4.21 245 229 A 83 LYS H A 80 ASP HBx 1.0 . 5.25 246 230 A 79 ILE H A 79 ILE HB 1.0 . 3.90 247 231 A 70 LEU HBy A 69 CYS H 1.0 . 5.50 248 232 A 56 CYS HA A 95 TYR HBx 1.0 . 5.33 249 233 A 50 ASN HA A 49 ASP HBx 1.0 . 4.92 250 233 A 50 ASN HA A 49 ASP HBy 1.0 . 4.92 251 234 A 43 ARG HA A 43 ARG HDy 1.0 . 3.99 252 235 A 43 ARG HA A 43 ARG HDx 1.0 . 3.99 253 236 A 96 PRO HA A 89 LYS HEx 1.0 . 4.67 254 236 A 96 PRO HA A 89 LYS HEy 1.0 . 4.67 255 237 A 38 THR HA A 64 TYR HBx 1.0 . 4.97 256 237 A 38 THR HA A 64 TYR HBy 1.0 . 4.97 257 238 A 71 LEU HA A 70 LEU HBy 1.0 . 5.50 258 239 A 68 SER HA A 71 LEU HBy 1.0 . 3.62 259 240 A 95 TYR HBy A 96 PRO HDx 1.0 . 4.89 260 241 A 96 PRO HDx A 95 TYR HBx 1.0 . 3.92 261 242 A 92 ILE HA A 91 ASP HBx 1.0 . 5.50 262 243 A 67 GLU HA A 70 LEU HBy 1.0 . 4.24 263 244 A 56 CYS HBx A 95 TYR HBx 1.0 . 4.65 264 245 A 95 TYR HBx A 96 PRO HGy 1.0 . 5.18 265 246 A 96 PRO HBy A 89 LYS HEx 1.0 . 4.53 266 246 A 89 LYS HEy A 96 PRO HBy 1.0 . 4.53 267 247 A 59 ARG HDx A 63 LYS HDx 1.0 . 5.50 268 247 A 59 ARG HDy A 63 LYS HDx 1.0 . 5.50 269 247 A 63 LYS HDy A 59 ARG HDx 1.0 . 5.50 270 247 A 59 ARG HDy A 63 LYS HDy 1.0 . 5.50 271 248 A 95 TYR HBy A 57 LYS HBy 1.0 . 3.98 272 249 A 95 TYR HBx A 57 LYS HBy 1.0 . 4.61 273 250 A 64 TYR HBy A 52 LEU HBy 1.0 . 3.68 274 250 A 52 LEU HBy A 64 TYR HBx 1.0 . 3.68 275 251 A 52 LEU HG A 64 TYR HBx 1.0 . 4.92 276 251 A 64 TYR HBy A 52 LEU HG 1.0 . 4.92 277 252 A 99 PHE HBy A 70 LEU HDy% 1.0 . 4.95 278 253 A 99 PHE HBx A 70 LEU HDy% 1.0 . 4.02 279 254 A 70 LEU HBy A 70 LEU HDx% 1.0 . 3.60 280 255 A 70 LEU HBy A 70 LEU HDy% 1.0 . 3.32 281 256 A 70 LEU HBx A 70 LEU HDx% 1.0 . 3.58 282 257 A 70 LEU HBx A 70 LEU HDy% 1.0 . 3.27 283 258 A 71 LEU HBx A 71 LEU HDx% 1.0 . 3.44 284 259 A 71 LEU HBy A 71 LEU HDx% 1.0 . 3.24 285 260 A 71 LEU HBy A 71 LEU HDy% 1.0 . 3.24 286 261 A 52 LEU HDx% A 64 TYR HBx 1.0 . 3.42 287 261 A 52 LEU HDx% A 64 TYR HBy 1.0 . 3.42 288 262 A 33 ALA HB% A 32 ASP HBx 1.0 . 5.50 289 263 A 79 ILE HG2% A 80 ASP HBx 1.0 . 5.50 290 264 A 52 LEU HDy% A 64 TYR HBx 1.0 . 3.37 291 264 A 64 TYR HBy A 52 LEU HDy% 1.0 . 3.37 292 265 A 67 GLU H A 67 GLU HGy 1.0 . 4.86 293 266 A 67 GLU H A 67 GLU HGx 1.0 . 4.86 294 267 A 46 ALA H A 45 GLU HGx 1.0 . 5.20 295 268 A 46 ALA H A 45 GLU HGy 1.0 . 5.20 296 269 A 41 ILE H A 41 ILE HB 1.0 . 3.44 297 270 A 68 SER H A 67 GLU HGy 1.0 . 5.50 298 271 A 68 SER H A 67 GLU HGx 1.0 . 5.50 299 272 A 97 ILE HB A 98 GLN H 1.0 . 5.07 300 273 A 78 ASN H A 78 ASN HBx 1.0 . 4.14 301 274 A 78 ASN H A 78 ASN HBy 1.0 . 4.14 302 275 A 45 GLU H A 45 GLU HGx 1.0 . 4.08 303 276 A 45 GLU H A 45 GLU HGy 1.0 . 4.08 304 277 A 72 GLU H A 72 GLU HGy 1.0 . 4.02 305 278 A 72 GLU H A 72 GLU HGx 1.0 . 4.02 306 279 A 97 ILE HB A 97 ILE H 1.0 . 3.32 307 280 A 50 ASN HBy A 50 ASN HD2y 1.0 . 3.25 308 281 A 79 ILE H A 78 ASN HBx 1.0 . 4.98 309 282 A 47 THR HB A 50 ASN HBy 1.0 . 5.03 310 283 A 45 GLU HA A 45 GLU HGx 1.0 . 3.61 311 284 A 45 GLU HA A 45 GLU HGy 1.0 . 3.61 312 285 A 69 CYS HA A 72 GLU HGx 1.0 . 4.58 313 286 A 96 PRO HA A 97 ILE HB 1.0 . 4.69 314 287 A 51 PRO HDx A 50 ASN HBy 1.0 . 4.88 315 288 A 51 PRO HDx A 50 ASN HBx 1.0 . 4.91 316 289 A 39 CYS HA A 65 MET HBy 1.0 . 5.24 317 290 A 39 CYS HA A 65 MET HBx 1.0 . 5.24 318 291 A 67 GLU HA A 67 GLU HGy 1.0 . 4.24 319 292 A 67 GLU HA A 67 GLU HGx 1.0 . 4.24 320 293 A 40 ARG HDx A 62 ILE HB 1.0 . 4.16 321 294 A 40 ARG HDy A 62 ILE HB 1.0 . 4.78 322 295 A 62 ILE HB A 58 CYS HBx 1.0 . 5.50 323 295 A 58 CYS HBy A 62 ILE HB 1.0 . 5.50 324 296 A 41 ILE HB A 69 CYS HBy 1.0 . 3.33 325 297 A 41 ILE HB A 69 CYS HBx 1.0 . 4.16 326 298 A 48 GLU HBx A 48 GLU HGx 1.0 . 2.60 327 298 A 48 GLU HBy A 48 GLU HGx 1.0 . 2.60 328 298 A 48 GLU HGy A 48 GLU HBx 1.0 . 2.60 329 298 A 48 GLU HGy A 48 GLU HBy 1.0 . 2.60 330 299 A 74 VAL HB A 79 ILE HB 1.0 . 5.35 331 300 A 97 ILE HB A 88 VAL HB 1.0 . 5.26 332 301 A 96 PRO HBy A 97 ILE HB 1.0 . 5.50 333 302 A 55 PRO HBy A 97 ILE HB 1.0 . 5.50 334 303 A 47 THR HG2% A 50 ASN HBy 1.0 . 4.63 335 304 A 79 ILE HG1y A 78 ASN HBx 1.0 . 5.50 336 305 A 79 ILE HG1y A 78 ASN HBy 1.0 . 5.50 337 306 A 62 ILE HD1% A 62 ILE HB 1.0 . 3.21 338 307 A 38 THR HG2% A 45 GLU HGx 1.0 . 3.60 339 308 A 38 THR HG2% A 45 GLU HGy 1.0 . 3.60 340 309 A 41 ILE HD1% A 41 ILE HB 1.0 . 3.73 341 310 A 97 ILE HD1% A 97 ILE HB 1.0 . 3.76 342 311 A 67 GLU H A 66 HIS HBx 1.0 . 3.99 343 312 A 39 CYS HBy A 40 ARG H 1.0 . 5.42 344 313 A 66 HIS H A 39 CYS HBy 1.0 . 4.11 345 314 A 92 ILE H A 90 CYS HBy 1.0 . 4.85 346 315 A 44 GLY H A 42 CYS HBx 1.0 . 4.99 347 316 A 46 ALA H A 45 GLU HBx 1.0 . 3.65 348 317 A 74 VAL H A 74 VAL HB 1.0 . 3.77 349 318 A 55 PRO HBy A 98 GLN H 1.0 . 4.91 350 319 A 98 GLN H A 55 PRO HBx 1.0 . 5.50 351 320 A 46 ALA H A 45 GLU HBy 1.0 . 3.71 352 321 A 39 CYS HBx A 40 ARG H 1.0 . 4.92 353 322 A 39 CYS HBx A 41 ILE H 1.0 . 4.46 354 323 A 70 LEU H A 66 HIS HBx 1.0 . 5.30 355 324 A 95 TYR H A 90 CYS HBx 1.0 . 3.81 356 325 A 43 ARG H A 39 CYS HBy 1.0 . 4.76 357 326 A 43 ARG H A 42 CYS HBy 1.0 . 4.46 358 327 A 90 CYS HBy A 91 ASP H 1.0 . 4.58 359 328 A 42 CYS H A 42 CYS HBx 1.0 . 3.93 360 329 A 43 ARG H A 42 CYS HBx 1.0 . 4.46 361 330 A 88 VAL H A 88 VAL HB 1.0 . 3.52 362 331 A 45 GLU H A 45 GLU HBx 1.0 . 4.11 363 332 A 100 LYS H A 100 LYS HBx 1.0 . 3.86 364 333 A 39 CYS HBx A 43 ARG H 1.0 . 4.61 365 334 A 39 CYS HBx A 39 CYS H 1.0 . 3.73 366 335 A 89 LYS H A 89 LYS HBx 1.0 . 4.04 367 336 A 89 LYS H A 89 LYS HBy 1.0 . 3.94 368 337 A 89 LYS HBx A 90 CYS H 1.0 . 5.43 369 338 A 97 ILE H A 89 LYS HBx 1.0 . 5.50 370 339 A 97 ILE H A 89 LYS HBy 1.0 . 5.31 371 340 A 78 ASN H A 77 LYS HBx 1.0 . 4.28 372 341 A 50 ASN HD2y A 66 HIS HBx 1.0 . 3.88 373 342 A 94 HIS H A 90 CYS HBx 1.0 . 4.64 374 343 A 94 HIS H A 90 CYS HBy 1.0 . 5.50 375 344 A 57 LYS HBx A 95 TYR HD% 1.0 . 4.40 376 345 A 77 LYS H A 77 LYS HBx 1.0 . 3.18 377 346 A 69 CYS H A 66 HIS HBx 1.0 . 3.47 378 347 A 63 LYS H A 63 LYS HBx 1.0 . 3.63 379 348 A 63 LYS H A 63 LYS HBy 1.0 . 3.92 380 349 A 65 MET HA A 39 CYS HBy 1.0 . 4.81 381 350 A 65 MET HA A 65 MET HGy 1.0 . 4.06 382 351 A 65 MET HA A 65 MET HGx 1.0 . 4.06 383 352 A 39 CYS HBx A 65 MET HA 1.0 . 4.53 384 353 A 69 CYS HA A 66 HIS HBy 1.0 . 4.76 385 354 A 43 ARG HA A 39 CYS HBy 1.0 . 5.50 386 355 A 98 GLN HA A 98 GLN HGx 1.0 . 3.64 387 355 A 98 GLN HGy A 98 GLN HA 1.0 . 3.64 388 356 A 35 SER HA A 34 PRO HBy 1.0 . 5.11 389 357 A 96 PRO HA A 89 LYS HBx 1.0 . 4.67 390 358 A 89 LYS HBx A 88 VAL HA 1.0 . 5.24 391 359 A 89 LYS HBy A 88 VAL HA 1.0 . 5.50 392 360 A 59 ARG HA A 63 LYS HBx 1.0 . 4.04 393 361 A 38 THR HB A 39 CYS HBy 1.0 . 4.94 394 362 A 39 CYS HA A 65 MET HGy 1.0 . 4.86 395 363 A 39 CYS HA A 65 MET HGx 1.0 . 4.86 396 364 A 97 ILE HA A 55 PRO HBx 1.0 . 5.50 397 365 A 96 PRO HDy A 89 LYS HBy 1.0 . 5.16 398 366 A 69 CYS HBx A 66 HIS HBx 1.0 . 4.10 399 367 A 66 HIS HBy A 69 CYS HBx 1.0 . 3.52 400 368 A 59 ARG HDy A 59 ARG HBy 1.0 . 3.82 401 368 A 59 ARG HBy A 59 ARG HDx 1.0 . 3.82 402 369 A 89 LYS HBx A 89 LYS HEx 1.0 . 4.93 403 369 A 89 LYS HEy A 89 LYS HBx 1.0 . 4.93 404 370 A 89 LYS HBy A 89 LYS HEx 1.0 . 5.40 405 370 A 89 LYS HEy A 89 LYS HBy 1.0 . 5.40 406 371 A 59 ARG HDy A 59 ARG HBx 1.0 . 3.82 407 371 A 59 ARG HBx A 59 ARG HDx 1.0 . 3.82 408 372 A 56 CYS HBx A 57 LYS HBy 1.0 . 5.07 409 373 A 74 VAL HA A 77 LYS HBx 1.0 . 3.98 410 374 A 41 ILE HB A 42 CYS HBy 1.0 . 5.50 411 375 A 41 ILE HB A 42 CYS HBx 1.0 . 5.50 412 376 A 70 LEU HBy A 55 PRO HBx 1.0 . 5.50 413 377 A 90 CYS HBx A 97 ILE HG1x 1.0 . 5.34 414 378 A 90 CYS HBx A 89 LYS HGy 1.0 . 5.34 415 379 A 90 CYS HBx A 89 LYS HGx 1.0 . 5.34 416 380 A 90 CYS HBx A 97 ILE HG1y 1.0 . 5.14 417 381 A 41 ILE HG2% A 42 CYS HBy 1.0 . 4.76 418 382 A 90 CYS HBy A 97 ILE HG1x 1.0 . 3.76 419 383 A 41 ILE HG2% A 42 CYS HBx 1.0 . 4.76 420 384 A 90 CYS HBy A 97 ILE HG1y 1.0 . 4.16 421 385 A 47 THR HG2% A 45 GLU HBx 1.0 . 5.50 422 386 A 38 THR HG2% A 45 GLU HBx 1.0 . 4.16 423 387 A 55 PRO HBy A 70 LEU HDx% 1.0 . 4.27 424 388 A 70 LEU HDx% A 55 PRO HBx 1.0 . 4.25 425 389 A 55 PRO HBy A 70 LEU HDy% 1.0 . 4.06 426 390 A 46 ALA HB% A 45 GLU HBy 1.0 . 4.90 427 391 A 47 THR HG2% A 45 GLU HBy 1.0 . 4.71 428 392 A 57 LYS HDy A 57 LYS HBy 1.0 . 3.82 429 393 A 77 LYS HBx A 79 ILE HG1x 1.0 . 3.80 430 394 A 77 LYS HBx A 77 LYS HDx 1.0 . 3.50 431 394 A 77 LYS HDy A 77 LYS HBx 1.0 . 3.50 432 395 A 97 ILE HD1% A 90 CYS HBx 1.0 . 4.10 433 396 A 97 ILE HD1% A 90 CYS HBy 1.0 . 3.51 434 397 A 97 ILE HG2% A 98 GLN HGx 1.0 . 5.50 435 397 A 97 ILE HG2% A 98 GLN HGy 1.0 . 5.50 436 398 A 79 ILE HG2% A 88 VAL HB 1.0 . 4.83 437 399 A 97 ILE HG2% A 88 VAL HB 1.0 . 5.50 438 400 A 41 ILE HD1% A 65 MET HGy 1.0 . 5.02 439 401 A 41 ILE HD1% A 65 MET HGx 1.0 . 5.02 440 402 A 52 LEU HDx% A 45 GLU HBx 1.0 . 5.37 441 403 A 55 PRO HBy A 97 ILE HD1% 1.0 . 4.49 442 404 A 97 ILE HD1% A 55 PRO HBx 1.0 . 4.68 443 405 A 97 ILE HG2% A 55 PRO HBy 1.0 . 3.58 444 406 A 97 ILE HG2% A 55 PRO HBx 1.0 . 3.50 445 407 A 52 LEU HDx% A 45 GLU HBy 1.0 . 4.86 446 408 A 77 LYS HGy A 77 LYS HBx 1.0 . 2.89 447 409 A 52 LEU HDy% A 66 HIS HBx 1.0 . 4.63 448 410 A 39 CYS HBy A 52 LEU HDy% 1.0 . 3.55 449 411 A 39 CYS HBx A 52 LEU HDy% 1.0 . 3.62 450 412 A 66 HIS H A 69 CYS HBy 1.0 . 3.98 451 413 A 66 HIS H A 69 CYS HBx 1.0 . 4.00 452 414 A 98 GLN H A 98 GLN HBx 1.0 . 4.20 453 415 A 98 GLN H A 98 GLN HBy 1.0 . 4.20 454 416 A 41 ILE H A 41 ILE HG1x 1.0 . 4.34 455 417 A 98 GLN H A 97 ILE HG1x 1.0 . 5.50 456 418 A 41 ILE H A 41 ILE HG1y 1.0 . 4.22 457 419 A 98 GLN H A 97 ILE HG1y 1.0 . 5.27 458 420 A 70 LEU H A 69 CYS HBy 1.0 . 3.74 459 421 A 69 CYS HBy A 42 CYS H 1.0 . 5.50 460 422 A 56 CYS HBy A 58 CYS H 1.0 . 4.47 461 423 A 56 CYS HBx A 58 CYS H 1.0 . 4.19 462 424 A 57 LYS H A 56 CYS HBy 1.0 . 4.08 463 425 A 57 LYS H A 56 CYS HBx 1.0 . 3.28 464 426 A 69 CYS HBx A 42 CYS H 1.0 . 5.50 465 427 A 72 GLU HBy A 73 TRP H 1.0 . 4.10 466 428 A 73 TRP H A 72 GLU HBx 1.0 . 4.44 467 429 A 72 GLU H A 72 GLU HBy 1.0 . 3.33 468 430 A 72 GLU H A 72 GLU HBx 1.0 . 3.76 469 431 A 49 ASP H A 48 GLU HBx 1.0 . 4.43 470 431 A 48 GLU HBy A 49 ASP H 1.0 . 4.43 471 432 A 70 LEU HG A 71 LEU H 1.0 . 4.88 472 433 A 70 LEU H A 70 LEU HG 1.0 . 4.69 473 434 A 89 LYS H A 89 LYS HDy 1.0 . 4.90 474 435 A 89 LYS H A 89 LYS HDx 1.0 . 5.50 475 436 A 97 ILE H A 97 ILE HG1x 1.0 . 3.69 476 437 A 42 CYS H A 41 ILE HG1x 1.0 . 5.21 477 438 A 90 CYS H A 97 ILE HG1y 1.0 . 4.30 478 439 A 97 ILE H A 97 ILE HG1y 1.0 . 4.45 479 440 A 42 CYS H A 41 ILE HG1y 1.0 . 5.05 480 441 A 73 TRP HE3 A 73 TRP HBx 1.0 . 3.89 481 442 A 73 TRP HE3 A 73 TRP HBy 1.0 . 4.21 482 443 A 73 TRP HZ2 A 77 LYS HDx 1.0 . 5.40 483 443 A 77 LYS HDy A 73 TRP HZ2 1.0 . 5.40 484 444 A 96 PRO HGy A 95 TYR HA 1.0 . 5.33 485 445 A 62 ILE HA A 40 ARG HBx 1.0 . 3.88 486 446 A 71 LEU HA A 70 LEU HG 1.0 . 4.39 487 447 A 83 LYS HA A 83 LYS HDx 1.0 . 4.51 488 447 A 83 LYS HA A 83 LYS HDy 1.0 . 4.51 489 448 A 96 PRO HA A 89 LYS HDy 1.0 . 4.75 490 449 A 96 PRO HA A 89 LYS HDx 1.0 . 4.94 491 450 A 41 ILE HA A 41 ILE HG1x 1.0 . 3.50 492 451 A 59 ARG HA A 63 LYS HDx 1.0 . 3.99 493 451 A 59 ARG HA A 63 LYS HDy 1.0 . 3.99 494 452 A 96 PRO HA A 97 ILE HG1y 1.0 . 4.65 495 453 A 57 LYS HA A 57 LYS HDx 1.0 . 4.05 496 454 A 66 HIS HBy A 69 CYS HBy 1.0 . 4.18 497 455 A 97 ILE HA A 56 CYS HBy 1.0 . 4.26 498 456 A 58 CYS HA A 56 CYS HBx 1.0 . 5.07 499 457 A 97 ILE HA A 56 CYS HBx 1.0 . 5.28 500 458 A 95 TYR HBy A 56 CYS HBy 1.0 . 4.31 501 459 A 95 TYR HBy A 56 CYS HBx 1.0 . 4.13 502 460 A 63 LYS HA A 58 CYS HBx 1.0 . 3.96 503 460 A 58 CYS HBy A 63 LYS HA 1.0 . 3.96 504 461 A 84 PRO HDx A 83 LYS HDx 1.0 . 5.19 505 461 A 83 LYS HDy A 84 PRO HDx 1.0 . 5.19 506 462 A 83 LYS HDy A 84 PRO HDy 1.0 . 5.19 507 462 A 83 LYS HDx A 84 PRO HDy 1.0 . 5.19 508 463 A 96 PRO HDy A 89 LYS HDy 1.0 . 5.33 509 464 A 97 ILE HA A 97 ILE HG1x 1.0 . 3.99 510 465 A 63 LYS HA A 63 LYS HDx 1.0 . 4.97 511 465 A 63 LYS HDy A 63 LYS HA 1.0 . 4.97 512 466 A 97 ILE HA A 97 ILE HG1y 1.0 . 3.89 513 467 A 93 CYS HBy A 58 CYS HBx 1.0 . 4.85 514 467 A 93 CYS HBy A 58 CYS HBy 1.0 . 4.85 515 468 A 95 TYR HBx A 96 PRO HGx 1.0 . 5.34 516 469 A 96 PRO HGx A 89 LYS HEx 1.0 . 4.87 517 469 A 89 LYS HEy A 96 PRO HGx 1.0 . 4.87 518 470 A 96 PRO HGy A 89 LYS HEx 1.0 . 4.86 519 470 A 89 LYS HEy A 96 PRO HGy 1.0 . 4.86 520 471 A 40 ARG HDx A 41 ILE HG1x 1.0 . 5.36 521 472 A 58 CYS HBx A 62 ILE HG1y 1.0 . 4.93 522 472 A 58 CYS HBy A 62 ILE HG1y 1.0 . 4.93 523 473 A 74 VAL HA A 77 LYS HDx 1.0 . 4.37 524 473 A 74 VAL HA A 77 LYS HDy 1.0 . 4.37 525 474 A 62 ILE HG1x A 58 CYS HBx 1.0 . 4.93 526 474 A 58 CYS HBy A 62 ILE HG1x 1.0 . 4.93 527 475 A 56 CYS HBx A 55 PRO HGx 1.0 . 5.30 528 476 A 70 LEU HBy A 69 CYS HBx 1.0 . 4.77 529 477 A 74 VAL HGy% A 73 TRP HBx 1.0 . 4.70 530 478 A 93 CYS HBx A 57 LYS HBy 1.0 . 4.38 531 479 A 54 HIS HBy A 63 LYS HDx 1.0 . 4.80 532 479 A 54 HIS HBy A 63 LYS HDy 1.0 . 4.80 533 480 A 69 CYS HBy A 41 ILE HG1x 1.0 . 4.77 534 481 A 74 VAL HGx% A 73 TRP HBy 1.0 . 5.12 535 482 A 56 CYS HBy A 97 ILE HB 1.0 . 5.50 536 483 A 56 CYS HBy A 97 ILE HG1x 1.0 . 5.50 537 484 A 56 CYS HBy A 97 ILE HG1y 1.0 . 4.17 538 485 A 56 CYS HBx A 97 ILE HG1y 1.0 . 5.23 539 486 A 72 GLU HBy A 75 ALA HB% 1.0 . 4.84 540 487 A 75 ALA HB% A 72 GLU HBx 1.0 . 4.51 541 488 A 24 THR HG2% A 23 GLU HBx 1.0 . 5.50 542 489 A 24 THR HG2% A 23 GLU HBy 1.0 . 5.50 543 490 A 47 THR HG2% A 48 GLU HBx 1.0 . 5.20 544 490 A 48 GLU HBy A 47 THR HG2% 1.0 . 5.20 545 491 A 96 PRO HGy A 89 LYS HBy 1.0 . 5.28 546 492 A 74 VAL HGx% A 70 LEU HG 1.0 . 4.38 547 493 A 100 LYS HDy A 100 LYS HGx 1.0 . 2.90 548 493 A 100 LYS HDx A 100 LYS HGx 1.0 . 2.90 549 493 A 100 LYS HGy A 100 LYS HDx 1.0 . 2.90 550 493 A 100 LYS HDy A 100 LYS HGy 1.0 . 2.90 551 494 A 41 ILE HD1% A 73 TRP HBx 1.0 . 4.49 552 495 A 93 CYS HBy A 92 ILE HG2% 1.0 . 4.25 553 496 A 93 CYS HBx A 92 ILE HG2% 1.0 . 5.29 554 497 A 41 ILE HD1% A 69 CYS HBy 1.0 . 3.69 555 498 A 97 ILE HD1% A 56 CYS HBy 1.0 . 4.10 556 499 A 97 ILE HD1% A 56 CYS HBx 1.0 . 3.93 557 500 A 54 HIS HBx A 63 LYS HGy 1.0 . 5.12 558 501 A 41 ILE HD1% A 69 CYS HBx 1.0 . 3.99 559 502 A 92 ILE HG2% A 58 CYS HBx 1.0 . 4.35 560 502 A 58 CYS HBy A 92 ILE HG2% 1.0 . 4.35 561 503 A 62 ILE HG2% A 40 ARG HBy 1.0 . 3.85 562 504 A 62 ILE HG2% A 40 ARG HBx 1.0 . 3.85 563 505 A 97 ILE HG2% A 97 ILE HG1x 1.0 . 3.24 564 506 A 97 ILE HG2% A 97 ILE HG1y 1.0 . 3.26 565 507 A 77 LYS HGy A 77 LYS HDx 1.0 . 2.79 566 507 A 77 LYS HDy A 77 LYS HGy 1.0 . 2.79 567 508 A 54 HIS HBy A 63 LYS HGx 1.0 . 4.39 568 509 A 54 HIS HBx A 63 LYS HGx 1.0 . 4.90 569 510 A 41 ILE H A 40 ARG HGx 1.0 . 4.41 570 511 A 41 ILE H A 40 ARG HGy 1.0 . 4.41 571 512 A 71 LEU H A 71 LEU HG 1.0 . 4.24 572 513 A 89 LYS H A 89 LYS HGy 1.0 . 4.72 573 514 A 100 LYS H A 100 LYS HGx 1.0 . 4.21 574 514 A 100 LYS H A 100 LYS HGy 1.0 . 4.21 575 515 A 81 ILE H A 81 ILE HG1y 1.0 . 3.92 576 516 A 81 ILE H A 81 ILE HG1x 1.0 . 3.92 577 517 A 89 LYS H A 89 LYS HGx 1.0 . 4.72 578 518 A 90 CYS H A 89 LYS HGx 1.0 . 4.20 579 519 A 70 LEU H A 70 LEU HDx% 1.0 . 5.05 580 520 A 57 LYS H A 57 LYS HGx 1.0 . 4.78 581 521 A 57 LYS H A 57 LYS HGy 1.0 . 4.92 582 522 A 78 ASN H A 77 LYS HGy 1.0 . 5.50 583 523 A 37 ALA H A 34 PRO HGx 1.0 . 5.42 584 524 A 83 LYS H A 83 LYS HGx 1.0 . 4.88 585 525 A 83 LYS H A 83 LYS HGy 1.0 . 4.88 586 526 A 79 ILE HG1y A 79 ILE H 1.0 . 4.14 587 527 A 73 TRP HE3 A 70 LEU HDx% 1.0 . 3.60 588 528 A 77 LYS HGx A 77 LYS H 1.0 . 4.27 589 529 A 77 LYS H A 77 LYS HGy 1.0 . 3.94 590 530 A 70 LEU HDx% A 73 TRP HZ3 1.0 . 4.71 591 531 A 54 HIS HA A 55 PRO HGy 1.0 . 4.88 592 532 A 50 ASN HA A 51 PRO HGy 1.0 . 4.67 593 533 A 50 ASN HA A 51 PRO HGx 1.0 . 4.27 594 534 A 71 LEU HA A 71 LEU HG 1.0 . 3.32 595 535 A 37 ALA HA A 34 PRO HGx 1.0 . 5.50 596 536 A 59 ARG HA A 59 ARG HGy 1.0 . 4.16 597 537 A 59 ARG HA A 59 ARG HGx 1.0 . 4.16 598 538 A 78 ASN HA A 79 ILE HG1x 1.0 . 4.82 599 539 A 43 ARG HA A 43 ARG HGy 1.0 . 3.82 600 540 A 77 LYS HA A 79 ILE HG1x 1.0 . 5.23 601 541 A 79 ILE HA A 79 ILE HG1x 1.0 . 3.54 602 542 A 99 PHE HA A 70 LEU HDy% 1.0 . 4.55 603 543 A 70 LEU HA A 70 LEU HDy% 1.0 . 4.03 604 544 A 71 LEU HA A 71 LEU HDx% 1.0 . 4.32 605 545 A 70 LEU HA A 70 LEU HDx% 1.0 . 3.29 606 546 A 71 LEU HA A 70 LEU HDx% 1.0 . 5.36 607 547 A 57 LYS HA A 57 LYS HGy 1.0 . 4.00 608 548 A 52 LEU HDx% A 37 ALA HA 1.0 . 4.76 609 549 A 92 ILE HA A 92 ILE HG1x 1.0 . 3.48 610 550 A 83 LYS HGx A 84 PRO HDx 1.0 . 5.50 611 551 A 84 PRO HDx A 83 LYS HGy 1.0 . 5.50 612 552 A 83 LYS HGx A 84 PRO HDy 1.0 . 5.50 613 553 A 83 LYS HGy A 84 PRO HDy 1.0 . 5.50 614 554 A 67 GLU HA A 70 LEU HDy% 1.0 . 3.86 615 555 A 70 LEU HDx% A 73 TRP HBx 1.0 . 3.94 616 556 A 73 TRP HBy A 70 LEU HDx% 1.0 . 5.50 617 557 A 95 TYR HBy A 57 LYS HGx 1.0 . 4.51 618 558 A 95 TYR HBy A 57 LYS HGy 1.0 . 4.96 619 559 A 74 VAL HA A 79 ILE HG1x 1.0 . 5.50 620 560 A 90 CYS HBy A 92 ILE HG1x 1.0 . 5.50 621 561 A 89 LYS HEy A 89 LYS HGy 1.0 . 3.98 622 561 A 89 LYS HGy A 89 LYS HEx 1.0 . 3.98 623 562 A 100 LYS HEx A 100 LYS HGx 1.0 . 3.84 624 562 A 100 LYS HEy A 100 LYS HGx 1.0 . 3.84 625 562 A 100 LYS HGy A 100 LYS HEx 1.0 . 3.84 626 562 A 100 LYS HGy A 100 LYS HEy 1.0 . 3.84 627 563 A 89 LYS HEx A 89 LYS HGx 1.0 . 3.98 628 563 A 89 LYS HEy A 89 LYS HGx 1.0 . 3.98 629 564 A 57 LYS HGx A 95 TYR HBx 1.0 . 4.69 630 565 A 95 TYR HBx A 57 LYS HGy 1.0 . 4.55 631 566 A 74 VAL HA A 77 LYS HGy 1.0 . 4.36 632 567 A 77 LYS HBy A 79 ILE HG1x 1.0 . 3.73 633 568 A 70 LEU HDx% A 55 PRO HGy 1.0 . 4.19 634 569 A 70 LEU HDy% A 55 PRO HGy 1.0 . 3.96 635 570 A 41 ILE HG1y A 40 ARG HGx 1.0 . 4.35 636 571 A 41 ILE HG1y A 40 ARG HGy 1.0 . 4.35 637 572 A 52 LEU HDx% A 46 ALA HB% 1.0 . 3.09 638 573 A 37 ALA HB% A 34 PRO HGx 1.0 . 3.38 639 574 A 97 ILE HD1% A 55 PRO HGx 1.0 . 4.62 640 575 A 97 ILE HD1% A 55 PRO HGy 1.0 . 4.47 641 576 A 97 ILE HD1% A 70 LEU HDx% 1.0 . 4.16 642 577 A 97 ILE HG2% A 70 LEU HDx% 1.0 . 3.22 643 578 A 46 ALA HB% A 46 ALA H 1.0 . 2.90 644 579 A 37 ALA HB% A 46 ALA H 1.0 . 5.21 645 580 A 52 LEU HDy% A 53 PHE H 1.0 . 3.70 646 581 A 46 ALA HB% A 52 LEU H 1.0 . 3.33 647 582 A 37 ALA HB% A 38 THR H 1.0 . 3.52 648 583 A 83 LYS H A 86 ALA HB% 1.0 . 5.15 649 584 A 73 TRP HE3 A 74 VAL HGx% 1.0 . 3.59 650 585 A 101 THR H A 101 THR HG2% 1.0 . 4.18 651 586 A 74 VAL HGx% A 73 TRP HZ3 1.0 . 4.49 652 587 A 74 VAL HGx% A 70 LEU HA 1.0 . 4.35 653 588 A 88 VAL HA A 88 VAL HGx% 1.0 . 3.36 654 589 A 88 VAL HA A 88 VAL HGy% 1.0 . 3.36 655 590 A 37 ALA HB% A 33 ALA HA 1.0 . 5.18 656 591 A 74 VAL HGx% A 73 TRP HBx 1.0 . 4.41 657 592 A 48 GLU HA A 47 THR HG2% 1.0 . 5.50 658 593 A 37 ALA HB% A 34 PRO HDx 1.0 . 3.97 659 594 A 74 VAL HA A 74 VAL HGy% 1.0 . 3.37 660 595 A 37 ALA HB% A 64 TYR HBx 1.0 . 4.34 661 595 A 37 ALA HB% A 64 TYR HBy 1.0 . 4.34 662 596 A 70 LEU HG A 74 VAL HGy% 1.0 . 4.91 663 597 A 71 LEU HBx A 71 LEU HDy% 1.0 . 3.44 664 598 A 74 VAL HGx% A 75 ALA HB% 1.0 . 5.20 665 599 A 74 VAL HGx% A 97 ILE HG2% 1.0 . 3.91 666 600 A 52 LEU HDx% A 37 ALA HB% 1.0 . 3.24 667 601 A 75 ALA HB% A 74 VAL H 1.0 . 4.41 668 602 A 92 ILE HG2% A 92 ILE H 1.0 . 4.25 669 603 A 75 ALA HB% A 75 ALA H 1.0 . 2.73 670 604 A 41 ILE HG2% A 42 CYS H 1.0 . 3.57 671 605 A 81 ILE HG2% A 82 SER H 1.0 . 4.59 672 606 A 81 ILE HG2% A 81 ILE H 1.0 . 3.84 673 607 A 79 ILE HG2% A 81 ILE H 1.0 . 5.18 674 608 A 77 LYS H A 75 ALA HB% 1.0 . 4.78 675 609 A 75 ALA HB% A 79 ILE H 1.0 . 5.48 676 610 A 65 MET HA A 65 MET HE% 1.0 . 4.83 677 611 A 41 ILE HG2% A 42 CYS HA 1.0 . 4.44 678 612 A 70 LEU HA A 65 MET HE% 1.0 . 3.96 679 613 A 62 ILE HA A 62 ILE HG2% 1.0 . 2.88 680 614 A 41 ILE HA A 41 ILE HG2% 1.0 . 2.75 681 615 A 80 ASP HA A 81 ILE HG2% 1.0 . 5.39 682 616 A 81 ILE HG2% A 82 SER HA 1.0 . 5.50 683 617 A 73 TRP HBx A 65 MET HE% 1.0 . 3.92 684 618 A 73 TRP HBy A 65 MET HE% 1.0 . 4.60 685 619 A 33 ALA HB% A 34 PRO HDx 1.0 . 3.97 686 620 A 33 ALA HB% A 34 PRO HDy 1.0 . 4.08 687 621 A 69 CYS HBy A 65 MET HE% 1.0 . 4.89 688 622 A 40 ARG HDy A 65 MET HE% 1.0 . 5.50 689 623 A 69 CYS HBx A 65 MET HE% 1.0 . 5.50 690 624 A 40 ARG HDx A 62 ILE HG2% 1.0 . 5.06 691 625 A 62 ILE HG2% A 40 ARG HDy 1.0 . 5.15 692 626 A 33 ALA HB% A 32 ASP HBy 1.0 . 5.50 693 627 A 41 ILE HG2% A 69 CYS HBy 1.0 . 3.63 694 628 A 41 ILE HG2% A 69 CYS HBx 1.0 . 4.60 695 629 A 79 ILE HG2% A 80 ASP HBy 1.0 . 5.50 696 630 A 81 ILE HG2% A 74 VAL HB 1.0 . 5.26 697 631 A 97 ILE HG2% A 70 LEU HG 1.0 . 4.01 698 632 A 75 ALA HB% A 74 VAL HGy% 1.0 . 3.81 699 633 A 41 ILE HG2% A 41 ILE HG1x 1.0 . 3.58 700 634 A 92 ILE HG2% A 92 ILE HG1x 1.0 . 3.45 701 635 A 74 VAL HGx% A 81 ILE HG2% 1.0 . 3.89 702 636 A 81 ILE HG2% A 81 ILE HG1y 1.0 . 4.05 703 637 A 81 ILE HG2% A 81 ILE HG1x 1.0 . 4.05 704 638 A 41 ILE HD1% A 65 MET HE% 1.0 . 3.60 705 639 A 92 ILE H A 92 ILE HD1% 1.0 . 4.26 706 640 A 41 ILE HD1% A 66 HIS H 1.0 . 5.50 707 641 A 59 ARG H A 62 ILE HD1% 1.0 . 4.81 708 642 A 81 ILE H A 81 ILE HD1% 1.0 . 4.70 709 643 A 79 ILE HD1% A 80 ASP H 1.0 . 5.48 710 644 A 89 LYS H A 79 ILE HD1% 1.0 . 5.50 711 645 A 97 ILE HD1% A 58 CYS H 1.0 . 5.50 712 646 A 97 ILE HD1% A 91 ASP H 1.0 . 5.50 713 647 A 97 ILE HD1% A 97 ILE H 1.0 . 4.85 714 648 A 77 LYS H A 79 ILE HD1% 1.0 . 4.91 715 649 A 79 ILE H A 79 ILE HD1% 1.0 . 5.11 716 650 A 97 ILE HD1% A 73 TRP HZ3 1.0 . 3.84 717 651 A 62 ILE HA A 62 ILE HD1% 1.0 . 4.60 718 652 A 81 ILE HA A 81 ILE HD1% 1.0 . 4.19 719 653 A 79 ILE HA A 79 ILE HD1% 1.0 . 4.29 720 654 A 69 CYS HA A 41 ILE HD1% 1.0 . 3.36 721 655 A 58 CYS HA A 62 ILE HD1% 1.0 . 4.72 722 656 A 41 ILE HD1% A 73 TRP HBy 1.0 . 3.84 723 657 A 62 ILE HD1% A 58 CYS HBx 1.0 . 3.87 724 657 A 58 CYS HBy A 62 ILE HD1% 1.0 . 3.87 725 658 A 74 VAL HA A 79 ILE HD1% 1.0 . 4.94 726 659 A 81 ILE HB A 81 ILE HD1% 1.0 . 3.28 727 660 A 88 VAL HB A 79 ILE HD1% 1.0 . 5.23 728 661 A 92 ILE HB A 92 ILE HD1% 1.0 . 3.37 729 662 A 74 VAL HGy% A 81 ILE HD1% 1.0 . 3.86 730 663 A 77 LYS HBx A 79 ILE HD1% 1.0 . 3.80 731 664 A 41 ILE HD1% A 41 ILE HG2% 1.0 . 2.41 732 665 A 97 ILE HG2% A 97 ILE HD1% 1.0 . 3.13 733 666 A 41 ILE HD1% A 65 MET HA 1.0 . 5.06 734 667 A 97 ILE HA A 97 ILE HD1% 1.0 . 3.88 735 668 A 28 THR HA A 28 THR HG2% 1.0 . 3.19 736 669 A 46 ALA HA A 52 LEU HG 1.0 . 3.96 737 670 A 73 TRP HBy A 73 TRP HE1 1.0 . 4.92 738 671 A 41 ILE H A 40 ARG H 1.0 . 3.51 739 672 A 39 CYS H A 40 ARG H 1.0 . 4.70 740 673 A 43 ARG H A 40 ARG H 1.0 . 5.04 741 674 A 65 MET HA A 40 ARG H 1.0 . 3.61 742 675 A 62 ILE HA A 40 ARG H 1.0 . 4.33 743 676 A 41 ILE HA A 40 ARG H 1.0 . 5.27 744 677 A 39 CYS HA A 40 ARG H 1.0 . 2.97 745 678 A 40 ARG H A 40 ARG HDy 1.0 . 5.00 746 679 A 40 ARG H A 64 TYR HBx 1.0 . 4.21 747 679 A 64 TYR HBy A 40 ARG H 1.0 . 4.21 748 680 A 40 ARG H A 65 MET HGy 1.0 . 4.54 749 681 A 40 ARG H A 65 MET HGx 1.0 . 4.54 750 682 A 40 ARG H A 41 ILE HB 1.0 . 4.77 751 683 A 40 ARG H A 40 ARG HGx 1.0 . 3.61 752 684 A 40 ARG H A 40 ARG HGy 1.0 . 3.61 753 685 A 40 ARG H A 41 ILE HG1y 1.0 . 4.67 754 686 A 62 ILE HG2% A 40 ARG H 1.0 . 5.47 755 687 A 41 ILE HD1% A 40 ARG H 1.0 . 5.50 756 688 A 52 LEU HDx% A 40 ARG H 1.0 . 5.34 757 689 A 52 LEU HDy% A 40 ARG H 1.0 . 4.19 758 690 A 91 ASP H A 90 CYS H 1.0 . 4.55 759 691 A 91 ASP H A 73 TRP HZ2 1.0 . 5.00 760 692 A 91 ASP H A 73 TRP HH2 1.0 . 4.72 761 693 A 90 CYS HA A 91 ASP H 1.0 . 3.04 762 694 A 90 CYS HBx A 91 ASP H 1.0 . 4.32 763 695 A 92 ILE HA A 91 ASP H 1.0 . 5.50 764 696 A 92 ILE HB A 91 ASP H 1.0 . 5.01 765 697 A 91 ASP H A 92 ILE HG1x 1.0 . 4.44 766 698 A 92 ILE HG1y A 91 ASP H 1.0 . 4.73 767 699 A 19 VAL HA A 20 ALA H 1.0 . 3.54 768 700 A 20 ALA H A 19 VAL HB 1.0 . 4.28 769 701 A 20 ALA HB% A 20 ALA H 1.0 . 3.28 770 702 A 20 ALA H A 19 VAL HGx% 1.0 . 4.01 771 702 A 20 ALA H A 19 VAL HGy% 1.0 . 4.01 772 703 A 56 CYS HA A 98 GLN H 1.0 . 4.57 773 704 A 55 PRO HA A 98 GLN H 1.0 . 4.07 774 705 A 97 ILE HA A 98 GLN H 1.0 . 2.79 775 706 A 56 CYS HBy A 98 GLN H 1.0 . 4.26 776 707 A 98 GLN H A 98 GLN HGx 1.0 . 3.69 777 707 A 98 GLN HGy A 98 GLN H 1.0 . 3.69 778 708 A 70 LEU HDy% A 98 GLN H 1.0 . 5.50 779 709 A 97 ILE HD1% A 98 GLN H 1.0 . 4.46 780 710 A 97 ILE HG2% A 98 GLN H 1.0 . 3.47 781 711 A 27 ALA H A 26 THR HA 1.0 . 3.22 782 712 A 27 ALA H A 27 ALA HB% 1.0 . 3.05 783 713 A 27 ALA H A 26 THR HG2% 1.0 . 4.46 784 714 A 67 GLU H A 68 SER H 1.0 . 3.67 785 715 A 67 GLU H A 50 ASN HD2y 1.0 . 4.91 786 716 A 66 HIS HD2 A 67 GLU H 1.0 . 5.50 787 717 A 66 HIS HA A 67 GLU H 1.0 . 3.19 788 718 A 52 LEU HA A 67 GLU H 1.0 . 4.75 789 719 A 66 HIS HBy A 67 GLU H 1.0 . 4.12 790 720 A 67 GLU H A 67 GLU HBy 1.0 . 3.30 791 721 A 67 GLU H A 67 GLU HBx 1.0 . 3.30 792 722 A 52 LEU HDy% A 67 GLU H 1.0 . 4.95 793 723 A 46 ALA H A 38 THR HG2% 1.0 . 3.80 794 724 A 46 ALA H A 52 LEU HDy% 1.0 . 5.15 795 725 A 56 CYS HA A 58 CYS H 1.0 . 4.44 796 726 A 57 LYS HA A 58 CYS H 1.0 . 3.57 797 727 A 58 CYS H A 63 LYS HA 1.0 . 5.03 798 728 A 93 CYS HBy A 58 CYS H 1.0 . 4.15 799 729 A 93 CYS HBx A 58 CYS H 1.0 . 4.51 800 730 A 58 CYS H A 58 CYS HBx 1.0 . 2.83 801 730 A 58 CYS HBy A 58 CYS H 1.0 . 2.83 802 731 A 57 LYS HBx A 58 CYS H 1.0 . 4.60 803 732 A 57 LYS HBy A 58 CYS H 1.0 . 4.19 804 733 A 63 LYS HBy A 58 CYS H 1.0 . 4.47 805 734 A 57 LYS HGx A 58 CYS H 1.0 . 5.00 806 735 A 79 ILE HA A 80 ASP H 1.0 . 2.67 807 736 A 32 ASP HA A 33 ALA H 1.0 . 2.99 808 737 A 96 PRO HA A 89 LYS H 1.0 . 4.93 809 738 A 89 LYS H A 88 VAL HA 1.0 . 2.54 810 739 A 89 LYS HA A 90 CYS H 1.0 . 3.00 811 740 A 34 PRO HDx A 33 ALA H 1.0 . 4.91 812 741 A 34 PRO HDy A 33 ALA H 1.0 . 4.85 813 742 A 90 CYS HBx A 90 CYS H 1.0 . 3.10 814 743 A 80 ASP H A 80 ASP HBy 1.0 . 3.07 815 744 A 80 ASP H A 80 ASP HBx 1.0 . 3.07 816 745 A 90 CYS HBy A 90 CYS H 1.0 . 2.98 817 746 A 88 VAL HB A 89 LYS H 1.0 . 4.59 818 747 A 79 ILE HB A 80 ASP H 1.0 . 4.05 819 748 A 86 ALA HB% A 80 ASP H 1.0 . 4.45 820 749 A 89 LYS HBy A 90 CYS H 1.0 . 4.06 821 750 A 90 CYS H A 89 LYS HGy 1.0 . 4.20 822 751 A 79 ILE HG2% A 80 ASP H 1.0 . 3.12 823 752 A 33 ALA HB% A 33 ALA H 1.0 . 3.11 824 753 A 97 ILE HD1% A 90 CYS H 1.0 . 4.05 825 754 A 92 ILE H A 91 ASP H 1.0 . 3.19 826 755 A 92 ILE H A 93 CYS H 1.0 . 3.08 827 756 A 94 HIS H A 92 ILE H 1.0 . 3.69 828 757 A 92 ILE H A 94 HIS HA 1.0 . 4.58 829 758 A 90 CYS HA A 92 ILE H 1.0 . 3.96 830 759 A 92 ILE H A 90 CYS HBx 1.0 . 4.24 831 760 A 92 ILE HB A 92 ILE H 1.0 . 3.06 832 761 A 92 ILE H A 92 ILE HG1x 1.0 . 3.27 833 762 A 92 ILE HG1y A 92 ILE H 1.0 . 3.60 834 763 A 46 ALA H A 45 GLU H 1.0 . 4.74 835 764 A 46 ALA H A 47 THR H 1.0 . 4.84 836 765 A 46 ALA H A 52 LEU HG 1.0 . 4.71 837 766 A 52 LEU HDx% A 46 ALA H 1.0 . 3.45 838 767 A 88 VAL H A 87 ASP HA 1.0 . 2.79 839 768 A 86 ALA HB% A 88 VAL H 1.0 . 4.98 840 769 A 88 VAL H A 89 LYS HBy 1.0 . 5.41 841 770 A 79 ILE HG2% A 88 VAL H 1.0 . 5.15 842 771 A 98 GLN H A 97 ILE H 1.0 . 4.61 843 772 A 72 GLU H A 73 TRP H 1.0 . 3.22 844 773 A 76 SER H A 73 TRP H 1.0 . 4.92 845 774 A 73 TRP H A 75 ALA H 1.0 . 4.23 846 775 A 73 TRP HE3 A 73 TRP H 1.0 . 4.81 847 776 A 73 TRP H A 73 TRP HD1 1.0 . 5.16 848 777 A 96 PRO HA A 97 ILE H 1.0 . 2.74 849 778 A 25 ASP H A 24 THR HA 1.0 . 3.19 850 779 A 73 TRP H A 73 TRP HBx 1.0 . 3.01 851 780 A 73 TRP H A 73 TRP HBy 1.0 . 3.05 852 781 A 73 TRP H A 69 CYS HBy 1.0 . 5.22 853 782 A 70 LEU HBx A 73 TRP H 1.0 . 5.50 854 783 A 73 TRP H A 70 LEU HG 1.0 . 5.50 855 784 A 96 PRO HBy A 97 ILE H 1.0 . 3.36 856 785 A 97 ILE H A 96 PRO HGx 1.0 . 4.86 857 786 A 75 ALA HB% A 73 TRP H 1.0 . 4.67 858 787 A 74 VAL HGx% A 73 TRP H 1.0 . 4.61 859 788 A 73 TRP H A 70 LEU HDx% 1.0 . 4.69 860 789 A 73 TRP H A 74 VAL HGy% 1.0 . 4.16 861 790 A 25 ASP H A 24 THR HG2% 1.0 . 4.31 862 791 A 41 ILE HD1% A 73 TRP H 1.0 . 4.12 863 792 A 97 ILE HG2% A 97 ILE H 1.0 . 3.87 864 793 A 87 ASP H A 86 ALA H 1.0 . 4.76 865 794 A 84 PRO HA A 86 ALA H 1.0 . 3.97 866 795 A 86 ALA H A 84 PRO HBy 1.0 . 5.50 867 796 A 86 ALA H A 83 LYS HBx 1.0 . 4.71 868 797 A 86 ALA H A 83 LYS HBy 1.0 . 4.71 869 798 A 37 ALA H A 35 SER H 1.0 . 5.50 870 799 A 37 ALA H A 38 THR H 1.0 . 4.53 871 800 A 37 ALA H A 38 THR HA 1.0 . 5.50 872 801 A 37 ALA H A 45 GLU HA 1.0 . 5.50 873 802 A 37 ALA H A 36 GLY HAy 1.0 . 3.56 874 803 A 37 ALA H A 36 GLY HAx 1.0 . 3.56 875 804 A 52 LEU HDx% A 37 ALA H 1.0 . 5.18 876 805 A 83 LYS H A 82 SER H 1.0 . 2.89 877 806 A 83 LYS H A 81 ILE HA 1.0 . 3.93 878 807 A 83 LYS H A 84 PRO HDy 1.0 . 5.41 879 808 A 83 LYS H A 80 ASP HBy 1.0 . 5.25 880 809 A 83 LYS H A 81 ILE HB 1.0 . 5.50 881 810 A 83 LYS H A 83 LYS HBx 1.0 . 3.68 882 811 A 83 LYS H A 83 LYS HBy 1.0 . 3.68 883 812 A 83 LYS H A 81 ILE HG2% 1.0 . 5.20 884 813 A 69 CYS H A 67 GLU H 1.0 . 4.84 885 814 A 69 CYS H A 68 SER H 1.0 . 3.61 886 815 A 66 HIS H A 69 CYS H 1.0 . 4.31 887 816 A 71 LEU H A 69 CYS H 1.0 . 4.41 888 817 A 70 LEU H A 69 CYS H 1.0 . 3.44 889 818 A 69 CYS H A 50 ASN HD2y 1.0 . 5.50 890 819 A 69 CYS H A 50 ASN HD2x 1.0 . 5.31 891 820 A 66 HIS HA A 69 CYS H 1.0 . 4.89 892 821 A 70 LEU HA A 69 CYS H 1.0 . 5.50 893 822 A 69 CYS H A 68 SER HBx 1.0 . 3.68 894 822 A 68 SER HBy A 69 CYS H 1.0 . 3.68 895 823 A 66 HIS HBy A 69 CYS H 1.0 . 3.24 896 824 A 69 CYS H A 69 CYS HBy 1.0 . 3.66 897 825 A 69 CYS H A 69 CYS HBx 1.0 . 3.33 898 826 A 70 LEU HBx A 69 CYS H 1.0 . 5.50 899 827 A 41 ILE HG2% A 69 CYS H 1.0 . 5.50 900 828 A 41 ILE HD1% A 69 CYS H 1.0 . 5.11 901 829 A 49 ASP H A 48 GLU H 1.0 . 3.56 902 830 A 47 THR H A 48 GLU H 1.0 . 4.48 903 831 A 50 ASN H A 48 GLU H 1.0 . 4.54 904 832 A 47 THR HA A 48 GLU H 1.0 . 3.26 905 833 A 47 THR HB A 48 GLU H 1.0 . 2.95 906 834 A 48 GLU H A 48 GLU HGx 1.0 . 4.17 907 834 A 48 GLU HGy A 48 GLU H 1.0 . 4.17 908 835 A 48 GLU H A 48 GLU HBx 1.0 . 2.93 909 835 A 48 GLU HBy A 48 GLU H 1.0 . 2.93 910 836 A 47 THR HG2% A 48 GLU H 1.0 . 3.63 911 837 A 41 ILE H A 42 CYS HA 1.0 . 5.11 912 838 A 41 ILE HD1% A 41 ILE H 1.0 . 4.16 913 839 A 66 HIS H A 52 LEU HDy% 1.0 . 4.30 914 840 A 95 TYR H A 95 TYR HD% 1.0 . 3.46 915 841 A 95 TYR H A 95 TYR HE% 1.0 . 4.67 916 842 A 95 TYR H A 94 HIS HA 1.0 . 3.43 917 843 A 96 PRO HDx A 95 TYR H 1.0 . 4.84 918 844 A 41 ILE H A 39 CYS H 1.0 . 5.26 919 845 A 99 PHE H A 98 GLN H 1.0 . 4.49 920 846 A 100 LYS H A 101 THR H 1.0 . 4.74 921 847 A 39 CYS H A 66 HIS HE1 1.0 . 4.04 922 848 A 39 CYS H A 65 MET HA 1.0 . 5.06 923 849 A 38 THR HB A 39 CYS H 1.0 . 3.23 924 850 A 39 CYS H A 39 CYS HBy 1.0 . 3.17 925 851 A 99 PHE H A 99 PHE HBx 1.0 . 4.10 926 852 A 100 LYS H A 99 PHE HBx 1.0 . 4.42 927 853 A 22 GLU H A 21 ASN HBx 1.0 . 3.68 928 853 A 21 ASN HBy A 22 GLU H 1.0 . 3.68 929 854 A 99 PHE H A 98 GLN HGx 1.0 . 4.37 930 854 A 98 GLN HGy A 99 PHE H 1.0 . 4.37 931 855 A 22 GLU H A 22 GLU HGx 1.0 . 3.45 932 855 A 22 GLU HGy A 22 GLU H 1.0 . 3.45 933 856 A 23 GLU H A 22 GLU HGx 1.0 . 3.74 934 856 A 23 GLU H A 22 GLU HGy 1.0 . 3.74 935 857 A 87 ASP H A 88 VAL HB 1.0 . 5.50 936 858 A 100 LYS H A 100 LYS HBy 1.0 . 3.86 937 859 A 24 THR HG2% A 23 GLU H 1.0 . 5.10 938 860 A 39 CYS H A 38 THR HG2% 1.0 . 3.72 939 861 A 39 CYS H A 52 LEU HG 1.0 . 5.33 940 862 A 86 ALA HB% A 87 ASP H 1.0 . 3.20 941 863 A 52 LEU HDx% A 39 CYS H 1.0 . 4.18 942 864 A 97 ILE HG2% A 99 PHE H 1.0 . 4.24 943 865 A 79 ILE HG2% A 87 ASP H 1.0 . 4.05 944 866 A 39 CYS H A 52 LEU HDy% 1.0 . 3.75 945 867 A 70 LEU H A 66 HIS H 1.0 . 4.25 946 868 A 70 LEU H A 68 SER H 1.0 . 4.62 947 869 A 70 LEU H A 71 LEU H 1.0 . 2.81 948 870 A 72 GLU H A 69 CYS H 1.0 . 5.10 949 871 A 28 THR HA A 29 PHE H 1.0 . 3.06 950 872 A 29 PHE H A 28 THR HB 1.0 . 4.15 951 873 A 32 ASP H A 31 ASP HA 1.0 . 2.71 952 874 A 70 LEU H A 68 SER HBx 1.0 . 4.99 953 874 A 70 LEU H A 68 SER HBy 1.0 . 4.99 954 875 A 70 LEU H A 66 HIS HBy 1.0 . 4.19 955 876 A 72 GLU H A 73 TRP HBx 1.0 . 4.69 956 877 A 72 GLU H A 73 TRP HBy 1.0 . 5.19 957 878 A 81 ILE H A 82 SER HBy 1.0 . 5.17 958 879 A 70 LEU H A 69 CYS HBx 1.0 . 3.69 959 880 A 29 PHE H A 29 PHE HBy 1.0 . 3.78 960 881 A 29 PHE H A 29 PHE HBx 1.0 . 3.78 961 882 A 81 ILE H A 80 ASP HBy 1.0 . 4.81 962 883 A 81 ILE H A 80 ASP HBx 1.0 . 4.81 963 884 A 70 LEU H A 70 LEU HBy 1.0 . 3.16 964 885 A 72 GLU H A 70 LEU HBx 1.0 . 5.06 965 886 A 70 LEU H A 71 LEU HBy 1.0 . 4.60 966 887 A 70 LEU H A 70 LEU HDy% 1.0 . 4.23 967 888 A 27 ALA HB% A 29 PHE H 1.0 . 5.50 968 889 A 28 THR HG2% A 29 PHE H 1.0 . 4.02 969 890 A 72 GLU H A 74 VAL HGy% 1.0 . 4.08 970 891 A 86 ALA HB% A 81 ILE H 1.0 . 5.28 971 892 A 70 LEU H A 41 ILE HD1% 1.0 . 4.36 972 893 A 77 LYS H A 75 ALA H 1.0 . 4.01 973 894 A 75 ALA H A 73 TRP HBx 1.0 . 4.67 974 895 A 75 ALA H A 74 VAL HB 1.0 . 4.04 975 896 A 74 VAL HGx% A 75 ALA H 1.0 . 4.18 976 897 A 75 ALA H A 70 LEU HDx% 1.0 . 5.50 977 898 A 75 ALA H A 74 VAL HGy% 1.0 . 3.53 978 899 A 100 LYS HA A 101 THR H 1.0 . 2.89 979 900 A 101 THR H A 100 LYS HDx 1.0 . 5.46 980 900 A 100 LYS HDy A 101 THR H 1.0 . 5.46 981 901 A 101 THR H A 100 LYS HGx 1.0 . 4.34 982 901 A 100 LYS HGy A 101 THR H 1.0 . 4.34 983 902 A 53 PHE H A 65 MET H 1.0 . 3.59 984 903 A 52 LEU H A 53 PHE H 1.0 . 4.49 985 904 A 74 VAL H A 73 TRP H 1.0 . 3.38 986 905 A 72 GLU H A 74 VAL H 1.0 . 4.32 987 906 A 74 VAL H A 75 ALA H 1.0 . 3.22 988 907 A 53 PHE H A 53 PHE HD% 1.0 . 3.48 989 908 A 73 TRP HE3 A 74 VAL H 1.0 . 3.56 990 909 A 53 PHE H A 64 TYR HD% 1.0 . 4.39 991 910 A 74 VAL H A 73 TRP HZ3 1.0 . 5.33 992 911 A 64 TYR HA A 53 PHE H 1.0 . 4.27 993 912 A 66 HIS HA A 53 PHE H 1.0 . 4.99 994 913 A 52 LEU HA A 53 PHE H 1.0 . 3.11 995 914 A 74 VAL H A 73 TRP HBx 1.0 . 3.31 996 915 A 74 VAL H A 73 TRP HBy 1.0 . 3.80 997 916 A 53 PHE H A 64 TYR HBx 1.0 . 4.66 998 916 A 64 TYR HBy A 53 PHE H 1.0 . 4.66 999 917 A 74 VAL H A 70 LEU HG 1.0 . 4.35 1000 918 A 53 PHE H A 52 LEU HBy 1.0 . 3.88 1001 919 A 53 PHE H A 52 LEU HBx 1.0 . 3.88 1002 920 A 74 VAL HGx% A 74 VAL H 1.0 . 2.97 1003 921 A 74 VAL H A 70 LEU HDx% 1.0 . 3.84 1004 922 A 74 VAL H A 74 VAL HGy% 1.0 . 3.35 1005 923 A 52 LEU HDx% A 53 PHE H 1.0 . 5.03 1006 924 A 29 PHE HA A 30 ASN H 1.0 . 3.07 1007 925 A 30 ASN H A 29 PHE HBy 1.0 . 4.44 1008 926 A 30 ASN H A 29 PHE HBx 1.0 . 4.44 1009 927 A 57 LYS H A 58 CYS H 1.0 . 3.36 1010 928 A 57 LYS H A 56 CYS H 1.0 . 4.32 1011 929 A 83 LYS H A 81 ILE H 1.0 . 4.47 1012 930 A 57 LYS H A 95 TYR HD% 1.0 . 4.22 1013 931 A 72 GLU H A 70 LEU HA 1.0 . 4.22 1014 932 A 81 ILE H A 82 SER HA 1.0 . 5.33 1015 933 A 81 ILE H A 82 SER HBx 1.0 . 5.17 1016 934 A 58 CYS HA A 57 LYS H 1.0 . 5.13 1017 935 A 57 LYS H A 95 TYR HBy 1.0 . 3.91 1018 936 A 57 LYS H A 95 TYR HBx 1.0 . 4.30 1019 937 A 81 ILE HB A 81 ILE H 1.0 . 3.78 1020 938 A 57 LYS HBx A 57 LYS H 1.0 . 3.78 1021 939 A 81 ILE H A 79 ILE HB 1.0 . 5.20 1022 940 A 57 LYS H A 57 LYS HBy 1.0 . 3.49 1023 941 A 57 LYS H A 57 LYS HDy 1.0 . 4.88 1024 942 A 57 LYS H A 57 LYS HDx 1.0 . 4.50 1025 943 A 72 GLU H A 41 ILE HD1% 1.0 . 5.24 1026 944 A 58 CYS H A 56 CYS H 1.0 . 4.78 1027 945 A 54 HIS HA A 56 CYS H 1.0 . 4.62 1028 946 A 56 CYS H A 55 PRO HDx 1.0 . 4.48 1029 947 A 56 CYS H A 55 PRO HDy 1.0 . 4.48 1030 948 A 56 CYS HBy A 56 CYS H 1.0 . 3.71 1031 949 A 54 HIS HBy A 56 CYS H 1.0 . 4.61 1032 950 A 55 PRO HBx A 56 CYS H 1.0 . 4.42 1033 951 A 55 PRO HGx A 56 CYS H 1.0 . 3.84 1034 952 A 50 ASN H A 47 THR H 1.0 . 3.80 1035 953 A 50 ASN H A 50 ASN HD2y 1.0 . 5.39 1036 954 A 50 ASN H A 49 ASP HA 1.0 . 3.47 1037 955 A 47 THR HB A 50 ASN H 1.0 . 3.82 1038 956 A 50 ASN H A 51 PRO HDx 1.0 . 3.99 1039 957 A 50 ASN H A 51 PRO HDy 1.0 . 3.81 1040 958 A 50 ASN H A 50 ASN HBy 1.0 . 3.39 1041 959 A 50 ASN H A 49 ASP HBx 1.0 . 3.58 1042 959 A 50 ASN H A 49 ASP HBy 1.0 . 3.58 1043 960 A 50 ASN H A 50 ASN HBx 1.0 . 3.52 1044 961 A 50 ASN H A 48 GLU HBx 1.0 . 4.55 1045 961 A 48 GLU HBy A 50 ASN H 1.0 . 4.55 1046 962 A 50 ASN H A 46 ALA HB% 1.0 . 5.50 1047 963 A 50 ASN H A 47 THR HG2% 1.0 . 4.42 1048 964 A 76 SER H A 77 LYS H 1.0 . 3.24 1049 965 A 77 LYS H A 76 SER HBy 1.0 . 4.84 1050 966 A 77 LYS H A 76 SER HBx 1.0 . 4.84 1051 967 A 74 VAL HA A 77 LYS H 1.0 . 4.00 1052 968 A 77 LYS HBy A 77 LYS H 1.0 . 3.65 1053 969 A 77 LYS H A 79 ILE HG1x 1.0 . 4.39 1054 970 A 77 LYS H A 77 LYS HDx 1.0 . 3.94 1055 970 A 77 LYS H A 77 LYS HDy 1.0 . 3.94 1056 971 A 63 LYS H A 62 ILE HG2% 1.0 . 4.38 1057 972 A 63 LYS H A 63 LYS HGy 1.0 . 4.35 1058 973 A 63 LYS H A 63 LYS HGx 1.0 . 4.16 1059 974 A 45 GLU H A 44 GLY H 1.0 . 4.74 1060 975 A 45 GLU H A 66 HIS HE1 1.0 . 5.50 1061 976 A 38 THR HB A 45 GLU H 1.0 . 5.48 1062 977 A 45 GLU H A 45 GLU HBy 1.0 . 2.95 1063 978 A 47 THR HG2% A 45 GLU H 1.0 . 5.38 1064 979 A 38 THR HG2% A 45 GLU H 1.0 . 3.76 1065 980 A 72 GLU H A 71 LEU H 1.0 . 3.09 1066 981 A 81 ILE H A 82 SER H 1.0 . 3.28 1067 982 A 20 ALA HA A 21 ASN H 1.0 . 3.01 1068 983 A 80 ASP HA A 82 SER H 1.0 . 3.63 1069 984 A 81 ILE HA A 82 SER H 1.0 . 3.51 1070 985 A 71 LEU H A 68 SER HBx 1.0 . 5.04 1071 985 A 68 SER HBy A 71 LEU H 1.0 . 5.04 1072 986 A 67 GLU HA A 71 LEU H 1.0 . 4.40 1073 987 A 82 SER H A 82 SER HBx 1.0 . 3.43 1074 988 A 82 SER H A 82 SER HBy 1.0 . 3.43 1075 989 A 21 ASN H A 21 ASN HBx 1.0 . 3.35 1076 989 A 21 ASN HBy A 21 ASN H 1.0 . 3.35 1077 990 A 82 SER H A 80 ASP HBy 1.0 . 4.67 1078 991 A 82 SER H A 80 ASP HBx 1.0 . 4.67 1079 992 A 81 ILE HB A 82 SER H 1.0 . 4.60 1080 993 A 71 LEU H A 71 LEU HBy 1.0 . 3.49 1081 994 A 74 VAL HGx% A 71 LEU H 1.0 . 5.31 1082 995 A 71 LEU H A 70 LEU HDx% 1.0 . 4.60 1083 996 A 20 ALA HB% A 21 ASN H 1.0 . 3.84 1084 997 A 86 ALA HB% A 82 SER H 1.0 . 5.50 1085 998 A 43 ARG H A 44 GLY H 1.0 . 3.49 1086 999 A 59 ARG H A 58 CYS H 1.0 . 4.17 1087 1000 A 95 TYR H A 93 CYS H 1.0 . 3.83 1088 1001 A 43 ARG H A 66 HIS HE1 1.0 . 4.97 1089 1002 A 59 ARG H A 57 LYS HA 1.0 . 4.21 1090 1003 A 91 ASP HA A 93 CYS H 1.0 . 5.30 1091 1004 A 90 CYS HBx A 93 CYS H 1.0 . 3.72 1092 1005 A 93 CYS HBy A 93 CYS H 1.0 . 3.37 1093 1006 A 38 THR HB A 43 ARG H 1.0 . 4.47 1094 1007 A 59 ARG H A 59 ARG HDx 1.0 . 4.86 1095 1007 A 59 ARG H A 59 ARG HDy 1.0 . 4.86 1096 1008 A 59 ARG H A 58 CYS HBx 1.0 . 3.51 1097 1008 A 59 ARG H A 58 CYS HBy 1.0 . 3.51 1098 1009 A 93 CYS HBx A 93 CYS H 1.0 . 3.76 1099 1010 A 92 ILE HB A 93 CYS H 1.0 . 2.93 1100 1011 A 59 ARG H A 63 LYS HBy 1.0 . 4.37 1101 1012 A 59 ARG H A 63 LYS HBx 1.0 . 4.96 1102 1013 A 59 ARG H A 63 LYS HDx 1.0 . 5.16 1103 1013 A 59 ARG H A 63 LYS HDy 1.0 . 5.16 1104 1014 A 92 ILE HG1x A 93 CYS H 1.0 . 4.03 1105 1015 A 92 ILE HG1y A 93 CYS H 1.0 . 4.97 1106 1016 A 59 ARG H A 57 LYS HGx 1.0 . 5.50 1107 1017 A 59 ARG H A 63 LYS HGy 1.0 . 5.50 1108 1018 A 92 ILE HG2% A 93 CYS H 1.0 . 3.27 1109 1019 A 79 ILE H A 80 ASP H 1.0 . 4.54 1110 1020 A 78 ASN HA A 79 ILE H 1.0 . 3.29 1111 1021 A 79 ILE H A 78 ASN HBy 1.0 . 4.98 1112 1022 A 77 LYS HBy A 79 ILE H 1.0 . 5.10 1113 1023 A 79 ILE H A 79 ILE HG1x 1.0 . 3.57 1114 1024 A 79 ILE HG2% A 79 ILE H 1.0 . 4.18 1115 1025 A 54 HIS H A 64 TYR HD% 1.0 . 5.31 1116 1026 A 64 TYR HE% A 54 HIS H 1.0 . 4.98 1117 1027 A 53 PHE HA A 54 HIS H 1.0 . 3.09 1118 1028 A 55 PRO HA A 54 HIS H 1.0 . 5.14 1119 1029 A 54 HIS H A 55 PRO HDx 1.0 . 4.66 1120 1030 A 54 HIS H A 55 PRO HDy 1.0 . 4.66 1121 1031 A 54 HIS H A 53 PHE HBy 1.0 . 3.95 1122 1032 A 54 HIS HBx A 54 HIS H 1.0 . 3.79 1123 1033 A 36 GLY H A 35 SER H 1.0 . 4.68 1124 1034 A 34 PRO HA A 35 SER H 1.0 . 2.91 1125 1035 A 34 PRO HDy A 35 SER H 1.0 . 5.50 1126 1036 A 34 PRO HBx A 35 SER H 1.0 . 3.99 1127 1037 A 33 ALA HB% A 35 SER H 1.0 . 5.50 1128 1038 A 37 ALA HB% A 35 SER H 1.0 . 5.50 1129 1039 A 40 ARG H A 42 CYS H 1.0 . 4.66 1130 1040 A 41 ILE H A 42 CYS H 1.0 . 3.00 1131 1041 A 46 ALA H A 52 LEU H 1.0 . 5.49 1132 1042 A 42 CYS H A 66 HIS HE1 1.0 . 4.59 1133 1043 A 66 HIS HD2 A 52 LEU H 1.0 . 5.06 1134 1044 A 66 HIS HA A 52 LEU H 1.0 . 5.50 1135 1045 A 51 PRO HA A 52 LEU H 1.0 . 3.13 1136 1046 A 39 CYS HA A 42 CYS H 1.0 . 4.46 1137 1047 A 42 CYS H A 42 CYS HBy 1.0 . 3.93 1138 1048 A 51 PRO HDy A 52 LEU H 1.0 . 5.45 1139 1049 A 39 CYS HBy A 42 CYS H 1.0 . 4.09 1140 1050 A 41 ILE HB A 42 CYS H 1.0 . 2.87 1141 1051 A 39 CYS HBx A 42 CYS H 1.0 . 3.56 1142 1052 A 52 LEU H A 51 PRO HBy 1.0 . 3.42 1143 1053 A 52 LEU H A 51 PRO HGx 1.0 . 3.85 1144 1054 A 52 LEU H A 51 PRO HBx 1.0 . 3.42 1145 1055 A 52 LEU H A 52 LEU HG 1.0 . 3.33 1146 1056 A 52 LEU H A 52 LEU HBx 1.0 . 3.93 1147 1057 A 41 ILE HD1% A 42 CYS H 1.0 . 4.79 1148 1058 A 52 LEU HDx% A 52 LEU H 1.0 . 3.73 1149 1059 A 52 LEU HDy% A 52 LEU H 1.0 . 4.46 1150 1060 A 65 MET H A 64 TYR H 1.0 . 4.58 1151 1061 A 65 MET H A 64 TYR HD% 1.0 . 3.97 1152 1062 A 64 TYR HE% A 65 MET H 1.0 . 5.50 1153 1063 A 54 HIS HA A 65 MET H 1.0 . 5.24 1154 1064 A 64 TYR HA A 65 MET H 1.0 . 3.07 1155 1065 A 53 PHE HA A 65 MET H 1.0 . 5.42 1156 1066 A 52 LEU HA A 65 MET H 1.0 . 4.33 1157 1067 A 39 CYS HA A 65 MET H 1.0 . 4.56 1158 1068 A 65 MET H A 64 TYR HBx 1.0 . 3.41 1159 1068 A 64 TYR HBy A 65 MET H 1.0 . 3.41 1160 1069 A 52 LEU HG A 65 MET H 1.0 . 5.04 1161 1070 A 65 MET H A 52 LEU HBy 1.0 . 4.62 1162 1071 A 65 MET H A 52 LEU HBx 1.0 . 4.62 1163 1072 A 37 ALA HB% A 65 MET H 1.0 . 5.50 1164 1073 A 52 LEU HDx% A 65 MET H 1.0 . 4.81 1165 1074 A 52 LEU HDy% A 65 MET H 1.0 . 4.16 1166 1075 A 24 THR H A 23 GLU H 1.0 . 3.98 1167 1076 A 25 ASP H A 26 THR H 1.0 . 4.76 1168 1077 A 26 THR H A 25 ASP HA 1.0 . 3.14 1169 1078 A 26 THR HB A 26 THR H 1.0 . 3.90 1170 1079 A 26 THR H A 25 ASP HBy 1.0 . 4.33 1171 1080 A 26 THR H A 25 ASP HBx 1.0 . 4.33 1172 1081 A 24 THR H A 23 GLU HBx 1.0 . 4.82 1173 1082 A 24 THR H A 23 GLU HBy 1.0 . 4.82 1174 1083 A 24 THR H A 24 THR HG2% 1.0 . 3.66 1175 1084 A 27 ALA HB% A 26 THR H 1.0 . 5.50 1176 1085 A 26 THR HG2% A 26 THR H 1.0 . 4.13 1177 1086 A 76 SER H A 74 VAL H 1.0 . 4.56 1178 1087 A 77 LYS H A 78 ASN H 1.0 . 2.75 1179 1088 A 78 ASN H A 79 ILE H 1.0 . 3.05 1180 1089 A 76 SER H A 72 GLU HBx 1.0 . 5.04 1181 1090 A 77 LYS HBy A 78 ASN H 1.0 . 4.56 1182 1091 A 76 SER H A 74 VAL HGy% 1.0 . 4.57 1183 1092 A 78 ASN H A 79 ILE HG1x 1.0 . 4.10 1184 1093 A 76 SER H A 77 LYS HGy 1.0 . 4.01 1185 1094 A 62 ILE H A 63 LYS H 1.0 . 3.26 1186 1095 A 62 ILE H A 60 GLY HAy 1.0 . 4.94 1187 1096 A 62 ILE H A 61 SER HBy 1.0 . 5.20 1188 1097 A 62 ILE H A 60 GLY HAx 1.0 . 4.94 1189 1098 A 62 ILE H A 63 LYS HA 1.0 . 5.50 1190 1099 A 62 ILE H A 62 ILE HB 1.0 . 3.77 1191 1100 A 62 ILE H A 62 ILE HG1y 1.0 . 3.70 1192 1101 A 62 ILE H A 63 LYS HBx 1.0 . 4.81 1193 1102 A 62 ILE H A 62 ILE HG1x 1.0 . 3.70 1194 1103 A 62 ILE H A 62 ILE HD1% 1.0 . 3.64 1195 1104 A 62 ILE H A 62 ILE HG2% 1.0 . 3.30 1196 1105 A 62 ILE H A 63 LYS HGy 1.0 . 5.18 1197 1106 A 68 SER H A 50 ASN HD2y 1.0 . 4.90 1198 1107 A 68 SER H A 50 ASN HD2x 1.0 . 5.00 1199 1108 A 66 HIS HA A 68 SER H 1.0 . 4.63 1200 1109 A 68 SER H A 68 SER HBx 1.0 . 2.99 1201 1109 A 68 SER HBy A 68 SER H 1.0 . 2.99 1202 1110 A 68 SER H A 66 HIS HBx 1.0 . 3.44 1203 1111 A 66 HIS HBy A 68 SER H 1.0 . 3.70 1204 1112 A 68 SER H A 69 CYS HBx 1.0 . 4.96 1205 1113 A 70 LEU HBx A 68 SER H 1.0 . 5.50 1206 1114 A 36 GLY H A 37 ALA H 1.0 . 3.42 1207 1115 A 36 GLY H A 37 ALA HB% 1.0 . 4.37 1208 1116 A 63 LYS H A 64 TYR H 1.0 . 3.67 1209 1117 A 64 TYR H A 64 TYR HBx 1.0 . 3.60 1210 1117 A 64 TYR HBy A 64 TYR H 1.0 . 3.60 1211 1118 A 63 LYS HBx A 64 TYR H 1.0 . 4.27 1212 1119 A 63 LYS HBy A 64 TYR H 1.0 . 4.55 1213 1120 A 50 ASN HA A 49 ASP H 1.0 . 5.28 1214 1121 A 47 THR HB A 49 ASP H 1.0 . 3.39 1215 1122 A 51 PRO HDy A 49 ASP H 1.0 . 4.89 1216 1123 A 50 ASN HBy A 49 ASP H 1.0 . 5.27 1217 1124 A 49 ASP H A 49 ASP HBx 1.0 . 2.86 1218 1124 A 49 ASP HBy A 49 ASP H 1.0 . 2.86 1219 1125 A 49 ASP H A 48 GLU HGx 1.0 . 4.38 1220 1125 A 48 GLU HGy A 49 ASP H 1.0 . 4.38 1221 1126 A 47 THR HG2% A 49 ASP H 1.0 . 4.15 1222 1127 A 94 HIS H A 95 TYR H 1.0 . 3.33 1223 1128 A 94 HIS H A 93 CYS H 1.0 . 3.05 1224 1129 A 94 HIS H A 94 HIS HA 1.0 . 2.79 1225 1130 A 90 CYS HA A 94 HIS H 1.0 . 5.50 1226 1131 A 92 ILE HA A 94 HIS H 1.0 . 5.01 1227 1132 A 94 HIS H A 92 ILE HB 1.0 . 4.18 1228 1133 A 92 ILE HG2% A 94 HIS H 1.0 . 4.73 1229 1134 A 27 ALA H A 28 THR H 1.0 . 4.43 1230 1135 A 28 THR H A 27 ALA HA 1.0 . 2.74 1231 1136 A 28 THR HB A 28 THR H 1.0 . 4.02 1232 1137 A 27 ALA HB% A 28 THR H 1.0 . 3.54 1233 1138 A 28 THR HG2% A 28 THR H 1.0 . 4.07 1234 1139 A 47 THR H A 52 LEU H 1.0 . 4.55 1235 1140 A 47 THR H A 49 ASP H 1.0 . 5.22 1236 1141 A 47 THR H A 66 HIS HD2 1.0 . 4.40 1237 1142 A 47 THR H A 50 ASN HA 1.0 . 5.00 1238 1143 A 48 GLU HA A 47 THR H 1.0 . 5.20 1239 1144 A 47 THR H A 51 PRO HDx 1.0 . 5.23 1240 1145 A 47 THR H A 50 ASN HBy 1.0 . 4.43 1241 1146 A 46 ALA HB% A 47 THR H 1.0 . 3.04 1242 1147 A 47 THR HG2% A 47 THR H 1.0 . 3.33 1243 1148 A 52 LEU HDx% A 47 THR H 1.0 . 4.45 1244 1149 A 52 LEU HDy% A 47 THR H 1.0 . 5.34 1245 1150 A 41 ILE H A 44 GLY H 1.0 . 5.25 1246 1151 A 39 CYS H A 44 GLY H 1.0 . 4.05 1247 1152 A 44 GLY H A 66 HIS HE1 1.0 . 4.00 1248 1153 A 44 GLY H A 42 CYS HA 1.0 . 5.38 1249 1154 A 38 THR HB A 44 GLY H 1.0 . 4.31 1250 1155 A 44 GLY H A 42 CYS HBy 1.0 . 4.99 1251 1156 A 39 CYS HBy A 44 GLY H 1.0 . 3.80 1252 1157 A 39 CYS HBx A 44 GLY H 1.0 . 3.74 1253 1158 A 38 THR HG2% A 44 GLY H 1.0 . 4.54 1254 1159 A 52 LEU HDy% A 44 GLY H 1.0 . 4.86 1255 1160 A 86 ALA H A 85 GLY H 1.0 . 3.49 1256 1161 A 84 PRO HA A 85 GLY H 1.0 . 2.82 1257 1162 A 86 ALA HA A 85 GLY H 1.0 . 5.35 1258 1163 A 85 GLY H A 84 PRO HDx 1.0 . 4.87 1259 1164 A 85 GLY H A 84 PRO HDy 1.0 . 4.87 1260 1165 A 85 GLY H A 84 PRO HBx 1.0 . 4.61 1261 1166 A 86 ALA HB% A 85 GLY H 1.0 . 4.73 1262 1167 A 60 GLY H A 59 ARG HDx 1.0 . 4.72 1263 1167 A 59 ARG HDy A 60 GLY H 1.0 . 4.72 1264 1168 A 60 GLY H A 63 LYS HDx 1.0 . 4.03 1265 1168 A 63 LYS HDy A 60 GLY H 1.0 . 4.03 1266 1169 A 38 THR H A 64 TYR HD% 1.0 . 4.22 1267 1170 A 38 THR H A 64 TYR HE% 1.0 . 5.42 1268 1171 A 38 THR H A 37 ALA HA 1.0 . 2.52 1269 1172 A 38 THR HB A 38 THR H 1.0 . 4.01 1270 1173 A 38 THR H A 64 TYR HBx 1.0 . 4.19 1271 1173 A 38 THR H A 64 TYR HBy 1.0 . 4.19 1272 1174 A 52 LEU HDx% A 38 THR H 1.0 . 3.91 1273 1175 A 50 ASN H A 49 ASP H 1.0 . 2.91 1274 1176 A 86 ALA HB% A 86 ALA H 1.0 . 2.99 1275 1177 A 37 ALA H A 37 ALA HB% 1.0 . 2.83 1276 1178 A 50 ASN HA A 50 ASN HD2y 1.0 . 4.94 1277 1179 A 66 HIS HA A 50 ASN HD2y 1.0 . 5.30 1278 1180 A 50 ASN HD2y A 68 SER HBx 1.0 . 4.83 1279 1180 A 68 SER HBy A 50 ASN HD2y 1.0 . 4.83 1280 1181 A 66 HIS HBy A 50 ASN HD2y 1.0 . 4.29 1281 1182 A 50 ASN HD2y A 50 ASN HBx 1.0 . 3.51 1282 1183 A 47 THR HG2% A 50 ASN HD2y 1.0 . 5.50 1283 1184 A 66 HIS HA A 50 ASN HD2x 1.0 . 4.76 1284 1185 A 50 ASN HD2x A 68 SER HBx 1.0 . 4.23 1285 1185 A 68 SER HBy A 50 ASN HD2x 1.0 . 4.23 1286 1186 A 66 HIS HBx A 50 ASN HD2x 1.0 . 4.27 1287 1187 A 66 HIS HBy A 50 ASN HD2x 1.0 . 4.23 1288 1188 A 50 ASN HBy A 50 ASN HD2x 1.0 . 3.52 1289 1189 A 50 ASN HBx A 50 ASN HD2x 1.0 . 4.06 1290 1190 A 78 ASN HA A 78 ASN HD2y 1.0 . 5.19 1291 1191 A 79 ILE HG1y A 78 ASN HD2y 1.0 . 5.50 1292 1192 A 78 ASN HA A 78 ASN HD2x 1.0 . 5.19 1293 1193 A 79 ILE HG1y A 78 ASN HD2x 1.0 . 5.50 1294 1194 A 21 ASN HD2y A 21 ASN HBx 1.0 . 3.83 1295 1194 A 21 ASN HBy A 21 ASN HD2y 1.0 . 3.83 1296 1195 A 21 ASN HD2x A 21 ASN HBx 1.0 . 3.83 1297 1195 A 21 ASN HBy A 21 ASN HD2x 1.0 . 3.83 1298 1196 A 73 TRP HA A 73 TRP HE1 1.0 . 5.32 1299 1197 A 73 TRP HE1 A 77 LYS HDx 1.0 . 5.11 1300 1197 A 77 LYS HDy A 73 TRP HE1 1.0 . 5.11 1301 1198 A 47 THR H A 66 HIS HE2 1.0 . 4.88 1302 1199 A 46 ALA H A 66 HIS HE2 1.0 . 5.50 1303 1200 A 21 ASN H A 21 ASN HD2y 1.0 . 4.54 1304 1200 A 21 ASN H A 21 ASN HD2x 1.0 . 4.54 1305 1201 A 21 ASN HD2y A 21 ASN HA 1.0 . 4.59 1306 1201 A 21 ASN HD2x A 21 ASN HA 1.0 . 4.59 1307 1202 A 21 ASN HBy A 21 ASN HD2x 1.0 . 3.03 1308 1202 A 21 ASN HBy A 21 ASN HD2y 1.0 . 3.03 1309 1202 A 21 ASN HD2y A 21 ASN HBx 1.0 . 3.03 1310 1202 A 21 ASN HD2x A 21 ASN HBx 1.0 . 3.03 1311 1203 A 22 GLU H A 22 GLU HBy 1.0 . 3.66 1312 1203 A 22 GLU H A 22 GLU HBx 1.0 . 3.66 1313 1204 A 23 GLU H A 23 GLU HBy 1.0 . 3.08 1314 1204 A 23 GLU H A 23 GLU HBx 1.0 . 3.08 1315 1205 A 23 GLU HBy A 23 GLU HGy 1.0 . 2.31 1316 1205 A 23 GLU HBx A 23 GLU HGy 1.0 . 2.31 1317 1205 A 23 GLU HGx A 23 GLU HBy 1.0 . 2.31 1318 1205 A 23 GLU HBx A 23 GLU HGx 1.0 . 2.31 1319 1206 A 24 THR H A 23 GLU HBy 1.0 . 4.11 1320 1206 A 24 THR H A 23 GLU HBx 1.0 . 4.11 1321 1207 A 24 THR H A 23 GLU HGy 1.0 . 4.65 1322 1207 A 24 THR H A 23 GLU HGx 1.0 . 4.65 1323 1208 A 25 ASP H A 25 ASP HBy 1.0 . 3.29 1324 1208 A 25 ASP H A 25 ASP HBx 1.0 . 3.29 1325 1209 A 26 THR H A 25 ASP HBy 1.0 . 3.66 1326 1209 A 26 THR H A 25 ASP HBx 1.0 . 3.66 1327 1210 A 28 THR HA A 29 PHE HBx 1.0 . 4.81 1328 1210 A 28 THR HA A 29 PHE HBy 1.0 . 4.81 1329 1211 A 29 PHE H A 29 PHE HBx 1.0 . 3.14 1330 1211 A 29 PHE H A 29 PHE HBy 1.0 . 3.14 1331 1212 A 30 ASN H A 29 PHE HBx 1.0 . 3.90 1332 1212 A 30 ASN H A 29 PHE HBy 1.0 . 3.90 1333 1213 A 30 ASN H A 30 ASN HBy 1.0 . 3.39 1334 1213 A 30 ASN H A 30 ASN HBx 1.0 . 3.39 1335 1214 A 30 ASN H A 30 ASN HD2x 1.0 . 4.87 1336 1214 A 30 ASN H A 30 ASN HD2y 1.0 . 4.87 1337 1215 A 30 ASN HA A 30 ASN HD2x 1.0 . 4.02 1338 1215 A 30 ASN HD2y A 30 ASN HA 1.0 . 4.02 1339 1216 A 30 ASN HBx A 30 ASN HD2x 1.0 . 3.17 1340 1216 A 30 ASN HBy A 30 ASN HD2x 1.0 . 3.17 1341 1216 A 30 ASN HD2y A 30 ASN HBy 1.0 . 3.17 1342 1216 A 30 ASN HBx A 30 ASN HD2y 1.0 . 3.17 1343 1217 A 31 ASP H A 31 ASP HBy 1.0 . 3.62 1344 1217 A 31 ASP H A 31 ASP HBx 1.0 . 3.62 1345 1218 A 32 ASP H A 32 ASP HBx 1.0 . 3.12 1346 1218 A 32 ASP H A 32 ASP HBy 1.0 . 3.12 1347 1219 A 33 ALA H A 32 ASP HBx 1.0 . 3.65 1348 1219 A 33 ALA H A 32 ASP HBy 1.0 . 3.65 1349 1220 A 33 ALA HB% A 32 ASP HBx 1.0 . 4.81 1350 1220 A 33 ALA HB% A 32 ASP HBy 1.0 . 4.81 1351 1221 A 34 PRO HBy A 35 SER HBy 1.0 . 5.34 1352 1221 A 34 PRO HBy A 35 SER HBx 1.0 . 5.34 1353 1222 A 35 SER H A 35 SER HBy 1.0 . 2.91 1354 1222 A 35 SER H A 35 SER HBx 1.0 . 2.91 1355 1223 A 35 SER HA A 36 GLY HAy 1.0 . 4.43 1356 1223 A 35 SER HA A 36 GLY HAx 1.0 . 4.43 1357 1224 A 36 GLY H A 35 SER HBy 1.0 . 4.27 1358 1224 A 36 GLY H A 35 SER HBx 1.0 . 4.27 1359 1225 A 37 ALA H A 36 GLY HAy 1.0 . 3.11 1360 1225 A 37 ALA H A 36 GLY HAx 1.0 . 3.11 1361 1226 A 37 ALA HA A 36 GLY HAy 1.0 . 5.34 1362 1226 A 37 ALA HA A 36 GLY HAx 1.0 . 5.34 1363 1227 A 37 ALA HB% A 52 LEU HBx 1.0 . 3.70 1364 1227 A 37 ALA HB% A 52 LEU HBy 1.0 . 3.70 1365 1228 A 38 THR HG2% A 43 ARG HDy 1.0 . 5.26 1366 1228 A 38 THR HG2% A 43 ARG HDx 1.0 . 5.26 1367 1229 A 38 THR HG2% A 45 GLU HGx 1.0 . 3.11 1368 1229 A 38 THR HG2% A 45 GLU HGy 1.0 . 3.11 1369 1230 A 39 CYS HA A 65 MET HBy 1.0 . 4.62 1370 1230 A 39 CYS HA A 65 MET HBx 1.0 . 4.62 1371 1231 A 39 CYS HA A 65 MET HGx 1.0 . 4.08 1372 1231 A 39 CYS HA A 65 MET HGy 1.0 . 4.08 1373 1232 A 40 ARG H A 40 ARG HBy 1.0 . 3.68 1374 1232 A 40 ARG H A 40 ARG HBx 1.0 . 3.68 1375 1233 A 40 ARG H A 40 ARG HGy 1.0 . 3.07 1376 1233 A 40 ARG H A 40 ARG HGx 1.0 . 3.07 1377 1234 A 40 ARG HA A 40 ARG HGy 1.0 . 3.67 1378 1234 A 40 ARG HA A 40 ARG HGx 1.0 . 3.67 1379 1235 A 62 ILE H A 40 ARG HBy 1.0 . 5.34 1380 1235 A 62 ILE H A 40 ARG HBx 1.0 . 5.34 1381 1236 A 62 ILE HA A 40 ARG HBy 1.0 . 3.05 1382 1236 A 62 ILE HA A 40 ARG HBx 1.0 . 3.05 1383 1237 A 41 ILE HG1y A 40 ARG HGy 1.0 . 3.75 1384 1237 A 41 ILE HG1y A 40 ARG HGx 1.0 . 3.75 1385 1238 A 41 ILE HD1% A 40 ARG HGy 1.0 . 4.20 1386 1238 A 41 ILE HD1% A 40 ARG HGx 1.0 . 4.20 1387 1239 A 62 ILE HA A 40 ARG HGy 1.0 . 4.35 1388 1239 A 62 ILE HA A 40 ARG HGx 1.0 . 4.35 1389 1240 A 40 ARG HGx A 65 MET HGx 1.0 . 3.23 1390 1240 A 65 MET HGy A 40 ARG HGy 1.0 . 3.23 1391 1240 A 65 MET HGy A 40 ARG HGx 1.0 . 3.23 1392 1240 A 40 ARG HGy A 65 MET HGx 1.0 . 3.23 1393 1241 A 41 ILE H A 42 CYS HBx 1.0 . 5.34 1394 1241 A 41 ILE H A 42 CYS HBy 1.0 . 5.34 1395 1242 A 41 ILE H A 65 MET HGx 1.0 . 4.40 1396 1242 A 41 ILE H A 65 MET HGy 1.0 . 4.40 1397 1243 A 41 ILE HG2% A 42 CYS HBx 1.0 . 4.01 1398 1243 A 41 ILE HG2% A 42 CYS HBy 1.0 . 4.01 1399 1244 A 41 ILE HD1% A 65 MET HBy 1.0 . 4.20 1400 1244 A 41 ILE HD1% A 65 MET HBx 1.0 . 4.20 1401 1245 A 41 ILE HD1% A 65 MET HGx 1.0 . 4.40 1402 1245 A 41 ILE HD1% A 65 MET HGy 1.0 . 4.40 1403 1246 A 42 CYS H A 42 CYS HBx 1.0 . 3.42 1404 1246 A 42 CYS H A 42 CYS HBy 1.0 . 3.42 1405 1247 A 44 GLY H A 42 CYS HBx 1.0 . 4.21 1406 1247 A 44 GLY H A 42 CYS HBy 1.0 . 4.21 1407 1248 A 43 ARG H A 43 ARG HGy 1.0 . 3.62 1408 1248 A 43 ARG H A 43 ARG HGx 1.0 . 3.62 1409 1249 A 43 ARG H A 43 ARG HDy 1.0 . 4.76 1410 1249 A 43 ARG H A 43 ARG HDx 1.0 . 4.76 1411 1250 A 43 ARG HA A 43 ARG HBy 1.0 . 2.58 1412 1250 A 43 ARG HA A 43 ARG HBx 1.0 . 2.58 1413 1251 A 43 ARG HA A 43 ARG HGy 1.0 . 3.17 1414 1251 A 43 ARG HA A 43 ARG HGx 1.0 . 3.17 1415 1252 A 43 ARG HA A 43 ARG HDy 1.0 . 3.36 1416 1252 A 43 ARG HA A 43 ARG HDx 1.0 . 3.36 1417 1253 A 43 ARG HBy A 43 ARG HDy 1.0 . 3.01 1418 1253 A 43 ARG HBx A 43 ARG HDy 1.0 . 3.01 1419 1253 A 43 ARG HDx A 43 ARG HBy 1.0 . 3.01 1420 1253 A 43 ARG HDx A 43 ARG HBx 1.0 . 3.01 1421 1254 A 44 GLY H A 43 ARG HBy 1.0 . 4.24 1422 1254 A 44 GLY H A 43 ARG HBx 1.0 . 4.24 1423 1255 A 44 GLY H A 43 ARG HGy 1.0 . 5.07 1424 1255 A 44 GLY H A 43 ARG HGx 1.0 . 5.07 1425 1256 A 44 GLY HAy A 45 GLU HGx 1.0 . 4.72 1426 1256 A 44 GLY HAy A 45 GLU HGy 1.0 . 4.72 1427 1257 A 44 GLY HAx A 45 GLU HGx 1.0 . 4.95 1428 1257 A 44 GLY HAx A 45 GLU HGy 1.0 . 4.95 1429 1258 A 45 GLU H A 45 GLU HGx 1.0 . 3.52 1430 1258 A 45 GLU H A 45 GLU HGy 1.0 . 3.52 1431 1259 A 45 GLU HA A 45 GLU HGx 1.0 . 3.13 1432 1259 A 45 GLU HA A 45 GLU HGy 1.0 . 3.13 1433 1260 A 46 ALA H A 45 GLU HGx 1.0 . 4.40 1434 1260 A 46 ALA H A 45 GLU HGy 1.0 . 4.40 1435 1261 A 46 ALA HB% A 51 PRO HBy 1.0 . 3.49 1436 1261 A 46 ALA HB% A 51 PRO HBx 1.0 . 3.49 1437 1262 A 47 THR H A 51 PRO HBy 1.0 . 5.34 1438 1262 A 47 THR H A 51 PRO HBx 1.0 . 5.34 1439 1263 A 50 ASN HA A 51 PRO HBy 1.0 . 5.14 1440 1263 A 50 ASN HA A 51 PRO HBx 1.0 . 5.14 1441 1264 A 52 LEU H A 52 LEU HBx 1.0 . 3.27 1442 1264 A 52 LEU H A 52 LEU HBy 1.0 . 3.27 1443 1265 A 53 PHE H A 52 LEU HBx 1.0 . 3.21 1444 1265 A 53 PHE H A 52 LEU HBy 1.0 . 3.21 1445 1266 A 52 LEU HBx A 64 TYR HBx 1.0 . 3.14 1446 1266 A 52 LEU HBy A 64 TYR HBx 1.0 . 3.14 1447 1266 A 64 TYR HBy A 52 LEU HBx 1.0 . 3.14 1448 1266 A 64 TYR HBy A 52 LEU HBy 1.0 . 3.14 1449 1267 A 65 MET H A 52 LEU HBx 1.0 . 3.95 1450 1267 A 65 MET H A 52 LEU HBy 1.0 . 3.95 1451 1268 A 53 PHE H A 53 PHE HBx 1.0 . 3.57 1452 1268 A 53 PHE H A 53 PHE HBy 1.0 . 3.57 1453 1269 A 54 HIS H A 53 PHE HBx 1.0 . 3.22 1454 1269 A 54 HIS H A 53 PHE HBy 1.0 . 3.22 1455 1270 A 53 PHE HBy A 55 PRO HDy 1.0 . 4.99 1456 1270 A 53 PHE HBx A 55 PRO HDy 1.0 . 4.99 1457 1270 A 55 PRO HDx A 53 PHE HBx 1.0 . 4.99 1458 1270 A 53 PHE HBy A 55 PRO HDx 1.0 . 4.99 1459 1271 A 54 HIS H A 55 PRO HDy 1.0 . 4.03 1460 1271 A 54 HIS H A 55 PRO HDx 1.0 . 4.03 1461 1272 A 54 HIS HBy A 55 PRO HDy 1.0 . 5.13 1462 1272 A 54 HIS HBy A 55 PRO HDx 1.0 . 5.13 1463 1273 A 54 HIS HBy A 63 LYS HEy 1.0 . 4.10 1464 1273 A 54 HIS HBy A 63 LYS HEx 1.0 . 4.10 1465 1274 A 56 CYS H A 55 PRO HDy 1.0 . 3.75 1466 1274 A 56 CYS H A 55 PRO HDx 1.0 . 3.75 1467 1275 A 65 MET H A 55 PRO HDy 1.0 . 4.21 1468 1275 A 65 MET H A 55 PRO HDx 1.0 . 4.21 1469 1276 A 70 LEU HDx% A 55 PRO HDy 1.0 . 5.33 1470 1276 A 70 LEU HDx% A 55 PRO HDx 1.0 . 5.33 1471 1277 A 57 LYS HBy A 57 LYS HEy 1.0 . 5.34 1472 1277 A 57 LYS HBy A 57 LYS HEx 1.0 . 5.34 1473 1278 A 57 LYS HBx A 57 LYS HEy 1.0 . 5.33 1474 1278 A 57 LYS HBx A 57 LYS HEx 1.0 . 5.33 1475 1279 A 57 LYS HGy A 57 LYS HEy 1.0 . 3.33 1476 1279 A 57 LYS HGy A 57 LYS HEx 1.0 . 3.33 1477 1280 A 58 CYS HA A 59 ARG HBy 1.0 . 4.37 1478 1280 A 58 CYS HA A 59 ARG HBx 1.0 . 4.37 1479 1281 A 58 CYS HBx A 62 ILE HG1y 1.0 . 4.27 1480 1281 A 58 CYS HBy A 62 ILE HG1y 1.0 . 4.27 1481 1281 A 62 ILE HG1x A 58 CYS HBx 1.0 . 4.27 1482 1281 A 58 CYS HBy A 62 ILE HG1x 1.0 . 4.27 1483 1282 A 59 ARG H A 59 ARG HBy 1.0 . 3.44 1484 1282 A 59 ARG H A 59 ARG HBx 1.0 . 3.44 1485 1283 A 59 ARG HA A 60 GLY HAy 1.0 . 4.90 1486 1283 A 59 ARG HA A 60 GLY HAx 1.0 . 4.90 1487 1284 A 59 ARG HBy A 59 ARG HDx 1.0 . 3.35 1488 1284 A 59 ARG HBx A 59 ARG HDx 1.0 . 3.35 1489 1284 A 59 ARG HDy A 59 ARG HBy 1.0 . 3.35 1490 1284 A 59 ARG HDy A 59 ARG HBx 1.0 . 3.35 1491 1285 A 60 GLY H A 59 ARG HBy 1.0 . 3.88 1492 1285 A 60 GLY H A 59 ARG HBx 1.0 . 3.88 1493 1286 A 59 ARG HBx A 60 GLY HAy 1.0 . 5.18 1494 1286 A 59 ARG HBy A 60 GLY HAy 1.0 . 5.18 1495 1286 A 60 GLY HAx A 59 ARG HBy 1.0 . 5.18 1496 1286 A 59 ARG HBx A 60 GLY HAx 1.0 . 5.18 1497 1287 A 59 ARG HGy A 60 GLY HAy 1.0 . 4.13 1498 1287 A 59 ARG HGx A 60 GLY HAy 1.0 . 4.13 1499 1287 A 60 GLY HAx A 59 ARG HGx 1.0 . 4.13 1500 1287 A 60 GLY HAx A 59 ARG HGy 1.0 . 4.13 1501 1288 A 62 ILE H A 60 GLY HAy 1.0 . 4.24 1502 1288 A 62 ILE H A 60 GLY HAx 1.0 . 4.24 1503 1289 A 63 LYS HBx A 60 GLY HAy 1.0 . 4.95 1504 1289 A 63 LYS HBx A 60 GLY HAx 1.0 . 4.95 1505 1290 A 60 GLY HAx A 63 LYS HDx 1.0 . 5.34 1506 1290 A 60 GLY HAy A 63 LYS HDx 1.0 . 5.34 1507 1290 A 63 LYS HDy A 60 GLY HAy 1.0 . 5.34 1508 1290 A 63 LYS HDy A 60 GLY HAx 1.0 . 5.34 1509 1291 A 62 ILE HG2% A 61 SER HBx 1.0 . 4.14 1510 1291 A 62 ILE HG2% A 61 SER HBy 1.0 . 4.14 1511 1292 A 62 ILE H A 62 ILE HG1y 1.0 . 2.87 1512 1292 A 62 ILE H A 62 ILE HG1x 1.0 . 2.87 1513 1293 A 62 ILE HG2% A 62 ILE HG1y 1.0 . 3.29 1514 1293 A 62 ILE HG2% A 62 ILE HG1x 1.0 . 3.29 1515 1294 A 63 LYS H A 63 LYS HEy 1.0 . 5.34 1516 1294 A 63 LYS H A 63 LYS HEx 1.0 . 5.34 1517 1295 A 65 MET H A 65 MET HGx 1.0 . 4.18 1518 1295 A 65 MET H A 65 MET HGy 1.0 . 4.18 1519 1296 A 65 MET HE% A 65 MET HBy 1.0 . 4.31 1520 1296 A 65 MET HE% A 65 MET HBx 1.0 . 4.31 1521 1297 A 66 HIS H A 65 MET HBy 1.0 . 4.24 1522 1297 A 66 HIS H A 65 MET HBx 1.0 . 4.24 1523 1298 A 70 LEU HBy A 65 MET HBy 1.0 . 5.18 1524 1298 A 70 LEU HBy A 65 MET HBx 1.0 . 5.18 1525 1299 A 70 LEU HDx% A 65 MET HBy 1.0 . 4.52 1526 1299 A 70 LEU HDx% A 65 MET HBx 1.0 . 4.52 1527 1300 A 66 HIS H A 65 MET HGx 1.0 . 5.34 1528 1300 A 66 HIS H A 65 MET HGy 1.0 . 5.34 1529 1301 A 70 LEU H A 65 MET HGx 1.0 . 5.34 1530 1301 A 70 LEU H A 65 MET HGy 1.0 . 5.34 1531 1302 A 70 LEU HDx% A 65 MET HGx 1.0 . 4.15 1532 1302 A 70 LEU HDx% A 65 MET HGy 1.0 . 4.15 1533 1303 A 70 LEU HDy% A 65 MET HGx 1.0 . 5.34 1534 1303 A 70 LEU HDy% A 65 MET HGy 1.0 . 5.34 1535 1304 A 66 HIS HA A 67 GLU HBx 1.0 . 5.08 1536 1304 A 66 HIS HA A 67 GLU HBy 1.0 . 5.08 1537 1305 A 67 GLU H A 67 GLU HGy 1.0 . 4.18 1538 1305 A 67 GLU H A 67 GLU HGx 1.0 . 4.18 1539 1306 A 67 GLU HA A 71 LEU HDx% 1.0 . 4.55 1540 1306 A 67 GLU HA A 71 LEU HDy% 1.0 . 4.55 1541 1307 A 68 SER H A 67 GLU HBx 1.0 . 3.90 1542 1307 A 68 SER H A 67 GLU HBy 1.0 . 3.90 1543 1308 A 67 GLU HBy A 68 SER HBx 1.0 . 4.66 1544 1308 A 67 GLU HBx A 68 SER HBx 1.0 . 4.66 1545 1308 A 68 SER HBy A 67 GLU HBx 1.0 . 4.66 1546 1308 A 68 SER HBy A 67 GLU HBy 1.0 . 4.66 1547 1309 A 67 GLU HBx A 71 LEU HDx% 1.0 . 3.96 1548 1309 A 67 GLU HBy A 71 LEU HDx% 1.0 . 3.96 1549 1309 A 71 LEU HDy% A 67 GLU HBx 1.0 . 3.96 1550 1309 A 67 GLU HBy A 71 LEU HDy% 1.0 . 3.96 1551 1310 A 68 SER H A 67 GLU HGy 1.0 . 4.76 1552 1310 A 68 SER H A 67 GLU HGx 1.0 . 4.76 1553 1311 A 67 GLU HGy A 71 LEU HDx% 1.0 . 3.43 1554 1311 A 67 GLU HGx A 71 LEU HDx% 1.0 . 3.43 1555 1311 A 71 LEU HDy% A 67 GLU HGy 1.0 . 3.43 1556 1311 A 67 GLU HGx A 71 LEU HDy% 1.0 . 3.43 1557 1312 A 68 SER H A 71 LEU HDx% 1.0 . 4.47 1558 1312 A 68 SER H A 71 LEU HDy% 1.0 . 4.47 1559 1313 A 68 SER HA A 71 LEU HDx% 1.0 . 2.87 1560 1313 A 68 SER HA A 71 LEU HDy% 1.0 . 2.87 1561 1314 A 69 CYS H A 71 LEU HDx% 1.0 . 5.44 1562 1314 A 69 CYS H A 71 LEU HDy% 1.0 . 5.44 1563 1315 A 69 CYS H A 72 GLU HGy 1.0 . 5.03 1564 1315 A 69 CYS H A 72 GLU HGx 1.0 . 5.03 1565 1316 A 69 CYS HA A 72 GLU HGy 1.0 . 3.95 1566 1316 A 69 CYS HA A 72 GLU HGx 1.0 . 3.95 1567 1317 A 70 LEU H A 72 GLU HGy 1.0 . 5.34 1568 1317 A 70 LEU H A 72 GLU HGx 1.0 . 5.34 1569 1318 A 71 LEU H A 71 LEU HDx% 1.0 . 4.28 1570 1318 A 71 LEU H A 71 LEU HDy% 1.0 . 4.28 1571 1319 A 71 LEU HA A 71 LEU HDx% 1.0 . 2.85 1572 1319 A 71 LEU HA A 71 LEU HDy% 1.0 . 2.85 1573 1320 A 71 LEU HBy A 71 LEU HDx% 1.0 . 2.66 1574 1320 A 71 LEU HBy A 71 LEU HDy% 1.0 . 2.66 1575 1321 A 71 LEU HBy A 72 GLU HGy 1.0 . 4.45 1576 1321 A 71 LEU HBy A 72 GLU HGx 1.0 . 4.45 1577 1322 A 71 LEU HBx A 71 LEU HDx% 1.0 . 2.95 1578 1322 A 71 LEU HBx A 71 LEU HDy% 1.0 . 2.95 1579 1323 A 72 GLU H A 72 GLU HGy 1.0 . 3.53 1580 1323 A 72 GLU H A 72 GLU HGx 1.0 . 3.53 1581 1324 A 72 GLU HA A 72 GLU HGy 1.0 . 3.50 1582 1324 A 72 GLU HA A 72 GLU HGx 1.0 . 3.50 1583 1325 A 73 TRP H A 72 GLU HGy 1.0 . 4.19 1584 1325 A 73 TRP H A 72 GLU HGx 1.0 . 4.19 1585 1326 A 75 ALA HB% A 72 GLU HGy 1.0 . 5.34 1586 1326 A 75 ALA HB% A 72 GLU HGx 1.0 . 5.34 1587 1327 A 73 TRP HE1 A 77 LYS HEy 1.0 . 4.11 1588 1327 A 73 TRP HE1 A 77 LYS HEx 1.0 . 4.11 1589 1328 A 73 TRP HZ2 A 77 LYS HEy 1.0 . 5.34 1590 1328 A 73 TRP HZ2 A 77 LYS HEx 1.0 . 5.34 1591 1329 A 75 ALA HB% A 76 SER HBy 1.0 . 5.34 1592 1329 A 75 ALA HB% A 76 SER HBx 1.0 . 5.34 1593 1330 A 76 SER H A 76 SER HBy 1.0 . 3.36 1594 1330 A 76 SER H A 76 SER HBx 1.0 . 3.36 1595 1331 A 76 SER HA A 76 SER HBy 1.0 . 2.63 1596 1331 A 76 SER HA A 76 SER HBx 1.0 . 2.63 1597 1332 A 77 LYS H A 76 SER HBy 1.0 . 4.21 1598 1332 A 77 LYS H A 76 SER HBx 1.0 . 4.21 1599 1333 A 77 LYS H A 77 LYS HEy 1.0 . 5.34 1600 1333 A 77 LYS H A 77 LYS HEx 1.0 . 5.34 1601 1334 A 77 LYS H A 78 ASN HBy 1.0 . 5.32 1602 1334 A 77 LYS H A 78 ASN HBx 1.0 . 5.32 1603 1335 A 77 LYS HA A 77 LYS HEy 1.0 . 5.18 1604 1335 A 77 LYS HA A 77 LYS HEx 1.0 . 5.18 1605 1336 A 77 LYS HA A 78 ASN HBy 1.0 . 4.55 1606 1336 A 77 LYS HA A 78 ASN HBx 1.0 . 4.55 1607 1337 A 77 LYS HA A 78 ASN HD2x 1.0 . 5.34 1608 1337 A 77 LYS HA A 78 ASN HD2y 1.0 . 5.34 1609 1338 A 77 LYS HBx A 77 LYS HEy 1.0 . 4.52 1610 1338 A 77 LYS HBx A 77 LYS HEx 1.0 . 4.52 1611 1339 A 77 LYS HBx A 78 ASN HBy 1.0 . 4.97 1612 1339 A 77 LYS HBx A 78 ASN HBx 1.0 . 4.97 1613 1340 A 77 LYS HBy A 77 LYS HEy 1.0 . 4.60 1614 1340 A 77 LYS HBy A 77 LYS HEx 1.0 . 4.60 1615 1341 A 78 ASN HA A 78 ASN HBy 1.0 . 2.61 1616 1341 A 78 ASN HA A 78 ASN HBx 1.0 . 2.61 1617 1342 A 78 ASN HD2x A 78 ASN HBx 1.0 . 3.15 1618 1342 A 78 ASN HD2x A 78 ASN HBy 1.0 . 3.15 1619 1342 A 78 ASN HD2y A 78 ASN HBx 1.0 . 3.15 1620 1342 A 78 ASN HD2y A 78 ASN HBy 1.0 . 3.15 1621 1343 A 79 ILE H A 78 ASN HBy 1.0 . 4.28 1622 1343 A 79 ILE H A 78 ASN HBx 1.0 . 4.28 1623 1344 A 79 ILE HG1y A 78 ASN HBy 1.0 . 4.62 1624 1344 A 79 ILE HG1y A 78 ASN HBx 1.0 . 4.62 1625 1345 A 79 ILE HG1x A 78 ASN HBy 1.0 . 5.34 1626 1345 A 79 ILE HG1x A 78 ASN HBx 1.0 . 5.34 1627 1346 A 79 ILE HG1y A 78 ASN HD2y 1.0 . 4.84 1628 1346 A 79 ILE HG1y A 78 ASN HD2x 1.0 . 4.84 1629 1347 A 79 ILE HA A 80 ASP HBx 1.0 . 4.16 1630 1347 A 79 ILE HA A 80 ASP HBy 1.0 . 4.16 1631 1348 A 79 ILE HG2% A 80 ASP HBx 1.0 . 4.84 1632 1348 A 79 ILE HG2% A 80 ASP HBy 1.0 . 4.84 1633 1349 A 80 ASP H A 80 ASP HBx 1.0 . 2.66 1634 1349 A 80 ASP H A 80 ASP HBy 1.0 . 2.66 1635 1350 A 81 ILE H A 80 ASP HBx 1.0 . 4.01 1636 1350 A 81 ILE H A 80 ASP HBy 1.0 . 4.01 1637 1351 A 83 LYS H A 80 ASP HBx 1.0 . 4.40 1638 1351 A 83 LYS H A 80 ASP HBy 1.0 . 4.40 1639 1352 A 80 ASP HBy A 83 LYS HBy 1.0 . 4.27 1640 1352 A 80 ASP HBx A 83 LYS HBy 1.0 . 4.27 1641 1352 A 83 LYS HBx A 80 ASP HBx 1.0 . 4.27 1642 1352 A 80 ASP HBy A 83 LYS HBx 1.0 . 4.27 1643 1353 A 80 ASP HBy A 83 LYS HGy 1.0 . 4.28 1644 1353 A 83 LYS HGx A 80 ASP HBx 1.0 . 4.28 1645 1353 A 80 ASP HBy A 83 LYS HGx 1.0 . 4.28 1646 1353 A 80 ASP HBx A 83 LYS HGy 1.0 . 4.28 1647 1354 A 80 ASP HBy A 83 LYS HDx 1.0 . 4.84 1648 1354 A 80 ASP HBx A 83 LYS HDx 1.0 . 4.84 1649 1354 A 83 LYS HDy A 80 ASP HBx 1.0 . 4.84 1650 1354 A 83 LYS HDy A 80 ASP HBy 1.0 . 4.84 1651 1355 A 86 ALA HB% A 80 ASP HBx 1.0 . 4.87 1652 1355 A 86 ALA HB% A 80 ASP HBy 1.0 . 4.87 1653 1356 A 81 ILE H A 81 ILE HG1y 1.0 . 3.43 1654 1356 A 81 ILE H A 81 ILE HG1x 1.0 . 3.43 1655 1357 A 81 ILE HA A 81 ILE HG1y 1.0 . 3.57 1656 1357 A 81 ILE HA A 81 ILE HG1x 1.0 . 3.57 1657 1358 A 81 ILE HG2% A 81 ILE HG1y 1.0 . 3.19 1658 1358 A 81 ILE HG2% A 81 ILE HG1x 1.0 . 3.19 1659 1359 A 82 SER H A 81 ILE HG1y 1.0 . 3.91 1660 1359 A 82 SER H A 81 ILE HG1x 1.0 . 3.91 1661 1360 A 82 SER HA A 81 ILE HG1y 1.0 . 5.34 1662 1360 A 82 SER HA A 81 ILE HG1x 1.0 . 5.34 1663 1361 A 82 SER H A 82 SER HBx 1.0 . 2.96 1664 1361 A 82 SER H A 82 SER HBy 1.0 . 2.96 1665 1362 A 82 SER H A 83 LYS HGy 1.0 . 5.33 1666 1362 A 82 SER H A 83 LYS HGx 1.0 . 5.33 1667 1363 A 82 SER HA A 82 SER HBx 1.0 . 2.63 1668 1363 A 82 SER HA A 82 SER HBy 1.0 . 2.63 1669 1364 A 83 LYS H A 82 SER HBx 1.0 . 4.13 1670 1364 A 83 LYS H A 82 SER HBy 1.0 . 4.13 1671 1365 A 83 LYS H A 83 LYS HBy 1.0 . 2.99 1672 1365 A 83 LYS H A 83 LYS HBx 1.0 . 2.99 1673 1366 A 83 LYS H A 83 LYS HGy 1.0 . 4.11 1674 1366 A 83 LYS H A 83 LYS HGx 1.0 . 4.11 1675 1367 A 83 LYS H A 84 PRO HDy 1.0 . 4.57 1676 1367 A 83 LYS H A 84 PRO HDx 1.0 . 4.57 1677 1368 A 83 LYS HA A 84 PRO HDy 1.0 . 2.80 1678 1368 A 83 LYS HA A 84 PRO HDx 1.0 . 2.80 1679 1369 A 83 LYS HBy A 84 PRO HDy 1.0 . 3.48 1680 1369 A 84 PRO HDx A 83 LYS HBy 1.0 . 3.48 1681 1369 A 83 LYS HBx A 84 PRO HDx 1.0 . 3.48 1682 1369 A 83 LYS HBx A 84 PRO HDy 1.0 . 3.48 1683 1370 A 83 LYS HGy A 84 PRO HDy 1.0 . 3.93 1684 1370 A 83 LYS HGx A 84 PRO HDy 1.0 . 3.93 1685 1370 A 84 PRO HDx A 83 LYS HGy 1.0 . 3.93 1686 1370 A 83 LYS HGx A 84 PRO HDx 1.0 . 3.93 1687 1371 A 83 LYS HDy A 84 PRO HDy 1.0 . 4.50 1688 1371 A 83 LYS HDx A 84 PRO HDy 1.0 . 4.50 1689 1371 A 84 PRO HDx A 83 LYS HDx 1.0 . 4.50 1690 1371 A 83 LYS HDy A 84 PRO HDx 1.0 . 4.50 1691 1372 A 84 PRO HA A 85 GLY HAy 1.0 . 5.14 1692 1372 A 84 PRO HA A 85 GLY HAx 1.0 . 5.14 1693 1373 A 85 GLY H A 84 PRO HDy 1.0 . 4.16 1694 1373 A 85 GLY H A 84 PRO HDx 1.0 . 4.16 1695 1374 A 86 ALA HB% A 85 GLY HAy 1.0 . 4.82 1696 1374 A 86 ALA HB% A 85 GLY HAx 1.0 . 4.82 1697 1375 A 86 ALA H A 88 VAL HGy% 1.0 . 5.28 1698 1375 A 86 ALA H A 88 VAL HGx% 1.0 . 5.28 1699 1376 A 86 ALA HA A 87 ASP HBx 1.0 . 4.40 1700 1376 A 86 ALA HA A 87 ASP HBy 1.0 . 4.40 1701 1377 A 87 ASP H A 87 ASP HBx 1.0 . 3.35 1702 1377 A 87 ASP H A 87 ASP HBy 1.0 . 3.35 1703 1378 A 87 ASP H A 88 VAL HGy% 1.0 . 4.40 1704 1378 A 87 ASP H A 88 VAL HGx% 1.0 . 4.40 1705 1379 A 88 VAL H A 87 ASP HBx 1.0 . 3.98 1706 1379 A 88 VAL H A 87 ASP HBy 1.0 . 3.98 1707 1380 A 88 VAL H A 88 VAL HGy% 1.0 . 3.01 1708 1380 A 88 VAL H A 88 VAL HGx% 1.0 . 3.01 1709 1381 A 88 VAL HA A 88 VAL HGy% 1.0 . 2.72 1710 1381 A 88 VAL HA A 88 VAL HGx% 1.0 . 2.72 1711 1382 A 89 LYS H A 88 VAL HGy% 1.0 . 3.75 1712 1382 A 89 LYS H A 88 VAL HGx% 1.0 . 3.75 1713 1383 A 97 ILE H A 88 VAL HGy% 1.0 . 4.70 1714 1383 A 97 ILE H A 88 VAL HGx% 1.0 . 4.70 1715 1384 A 97 ILE HG2% A 88 VAL HGy% 1.0 . 3.62 1716 1384 A 97 ILE HG2% A 88 VAL HGx% 1.0 . 3.62 1717 1385 A 89 LYS H A 89 LYS HGx 1.0 . 3.88 1718 1385 A 89 LYS H A 89 LYS HGy 1.0 . 3.88 1719 1386 A 89 LYS HEx A 89 LYS HGx 1.0 . 3.22 1720 1386 A 89 LYS HEy A 89 LYS HGx 1.0 . 3.22 1721 1386 A 89 LYS HGy A 89 LYS HEx 1.0 . 3.22 1722 1386 A 89 LYS HEy A 89 LYS HGy 1.0 . 3.22 1723 1387 A 90 CYS HA A 89 LYS HGx 1.0 . 4.40 1724 1387 A 90 CYS HA A 89 LYS HGy 1.0 . 4.40 1725 1388 A 90 CYS HBx A 89 LYS HGx 1.0 . 4.57 1726 1388 A 90 CYS HBx A 89 LYS HGy 1.0 . 4.57 1727 1389 A 94 HIS H A 89 LYS HGx 1.0 . 5.34 1728 1389 A 94 HIS H A 89 LYS HGy 1.0 . 5.34 1729 1390 A 94 HIS HA A 89 LYS HGx 1.0 . 4.89 1730 1390 A 94 HIS HA A 89 LYS HGy 1.0 . 4.89 1731 1391 A 96 PRO HA A 89 LYS HGx 1.0 . 3.18 1732 1391 A 96 PRO HA A 89 LYS HGy 1.0 . 3.18 1733 1392 A 96 PRO HDx A 89 LYS HGx 1.0 . 5.05 1734 1392 A 96 PRO HDx A 89 LYS HGy 1.0 . 5.05 1735 1393 A 90 CYS HA A 91 ASP HBx 1.0 . 4.81 1736 1393 A 90 CYS HA A 91 ASP HBy 1.0 . 4.81 1737 1394 A 92 ILE HA A 91 ASP HBx 1.0 . 4.70 1738 1394 A 92 ILE HA A 91 ASP HBy 1.0 . 4.70 1739 1395 A 92 ILE HG1y A 91 ASP HBx 1.0 . 5.17 1740 1395 A 92 ILE HG1y A 91 ASP HBy 1.0 . 5.17 1741 1396 A 92 ILE HG1x A 91 ASP HBx 1.0 . 5.34 1742 1396 A 92 ILE HG1x A 91 ASP HBy 1.0 . 5.34 1743 1397 A 97 ILE HA A 98 GLN HBy 1.0 . 4.54 1744 1397 A 97 ILE HA A 98 GLN HBx 1.0 . 4.54 1745 1398 A 97 ILE HG2% A 98 GLN HBy 1.0 . 5.00 1746 1398 A 97 ILE HG2% A 98 GLN HBx 1.0 . 5.00 1747 1399 A 98 GLN H A 98 GLN HBy 1.0 . 3.46 1748 1399 A 98 GLN H A 98 GLN HBx 1.0 . 3.46 1749 1400 A 98 GLN HA A 98 GLN HE2y 1.0 . 4.68 1750 1400 A 98 GLN HA A 98 GLN HE2x 1.0 . 4.68 1751 1401 A 98 GLN HBy A 98 GLN HE2y 1.0 . 3.72 1752 1401 A 98 GLN HBx A 98 GLN HE2y 1.0 . 3.72 1753 1401 A 98 GLN HE2x A 98 GLN HBy 1.0 . 3.72 1754 1401 A 98 GLN HBx A 98 GLN HE2x 1.0 . 3.72 1755 1402 A 99 PHE H A 98 GLN HBy 1.0 . 4.38 1756 1402 A 99 PHE H A 98 GLN HBx 1.0 . 4.38 1757 1403 A 99 PHE HA A 100 LYS HBy 1.0 . 4.50 1758 1403 A 99 PHE HA A 100 LYS HBx 1.0 . 4.50 1759 1404 A 100 LYS H A 100 LYS HBy 1.0 . 3.16 1760 1404 A 100 LYS H A 100 LYS HBx 1.0 . 3.16 1761 1405 A 101 THR H A 100 LYS HBy 1.0 . 4.01 1762 1405 A 101 THR H A 100 LYS HBx 1.0 . 4.01 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 32 ASP C A 33 ALA N A 33 ALA CA A 33 ALA C 1.0 -133.2 -42.7 PHI 2 2 A 33 ALA N A 33 ALA CA A 33 ALA C A 34 PRO N 1.0 73.0 185.6 PSI 3 3 A 34 PRO C A 35 SER N A 35 SER CA A 35 SER C 1.0 -100.8 -20.8 PHI 4 4 A 36 GLY N A 36 GLY CA A 36 GLY C A 37 ALA N 1.0 -66.8 49.9 PSI 5 5 A 36 GLY C A 37 ALA N A 37 ALA CA A 37 ALA C 1.0 -150.2 -34.9 PHI 6 6 A 37 ALA N A 37 ALA CA A 37 ALA C A 38 THR N 1.0 93.9 203.1 PSI 7 7 A 37 ALA C A 38 THR N A 38 THR CA A 38 THR C 1.0 -159.6 -91.1 PHI 8 8 A 38 THR N A 38 THR CA A 38 THR C A 39 CYS N 1.0 62.9 182.9 PSI 9 9 A 39 CYS C A 40 ARG N A 40 ARG CA A 40 ARG C 1.0 -111.5 16.5 PHI 10 10 A 40 ARG C A 41 ILE N A 41 ILE CA A 41 ILE C 1.0 -117.5 -43.9 PHI 11 11 A 41 ILE N A 41 ILE CA A 41 ILE C A 42 CYS N 1.0 -53.7 -11.0 PSI 12 12 A 44 GLY C A 45 GLU N A 45 GLU CA A 45 GLU C 1.0 -131.3 -47.6 PHI 13 13 A 45 GLU N A 45 GLU CA A 45 GLU C A 46 ALA N 1.0 83.9 193.2 PSI 14 14 A 46 ALA C A 47 THR N A 47 THR CA A 47 THR C 1.0 -171.1 -21.3 PHI 15 15 A 47 THR N A 47 THR CA A 47 THR C A 48 GLU N 1.0 113.5 213.5 PSI 16 16 A 47 THR C A 48 GLU N A 48 GLU CA A 48 GLU C 1.0 -82.8 -42.8 PHI 17 17 A 48 GLU N A 48 GLU CA A 48 GLU C A 49 ASP N 1.0 -52.1 2.6 PSI 18 18 A 48 GLU C A 49 ASP N A 49 ASP CA A 49 ASP C 1.0 -111.0 -63.6 PHI 19 19 A 49 ASP N A 49 ASP CA A 49 ASP C A 50 ASN N 1.0 -45.4 36.4 PSI 20 20 A 49 ASP C A 50 ASN N A 50 ASN CA A 50 ASN C 1.0 -171.7 -39.9 PHI 21 21 A 50 ASN N A 50 ASN CA A 50 ASN C A 51 PRO N 1.0 44.1 177.8 PSI 22 22 A 52 LEU C A 53 PHE N A 53 PHE CA A 53 PHE C 1.0 -153.5 -99.2 PHI 23 23 A 53 PHE N A 53 PHE CA A 53 PHE C A 54 HIS N 1.0 112.1 197.0 PSI 24 24 A 53 PHE C A 54 HIS N A 54 HIS CA A 54 HIS C 1.0 -162.5 -43.3 PHI 25 25 A 54 HIS N A 54 HIS CA A 54 HIS C A 55 PRO N 1.0 57.5 196.1 PSI 26 26 A 56 CYS C A 57 LYS N A 57 LYS CA A 57 LYS C 1.0 -148.3 -12.5 PHI 27 27 A 59 ARG N A 59 ARG CA A 59 ARG C A 60 GLY N 1.0 106.0 224.1 PSI 28 28 A 60 GLY C A 61 SER N A 61 SER CA A 61 SER C 1.0 -72.3 -30.0 PHI 29 29 A 61 SER N A 61 SER CA A 61 SER C A 62 ILE N 1.0 -55.2 11.2 PSI 30 30 A 61 SER C A 62 ILE N A 62 ILE CA A 62 ILE C 1.0 -134.0 -43.8 PHI 31 31 A 62 ILE N A 62 ILE CA A 62 ILE C A 63 LYS N 1.0 -54.9 22.0 PSI 32 32 A 62 ILE C A 63 LYS N A 63 LYS CA A 63 LYS C 1.0 -121.9 -57.1 PHI 33 33 A 63 LYS N A 63 LYS CA A 63 LYS C A 64 TYR N 1.0 -68.1 34.6 PSI 34 34 A 63 LYS C A 64 TYR N A 64 TYR CA A 64 TYR C 1.0 -164.5 -67.7 PHI 35 35 A 64 TYR N A 64 TYR CA A 64 TYR C A 65 MET N 1.0 118.5 195.9 PSI 36 36 A 64 TYR C A 65 MET N A 65 MET CA A 65 MET C 1.0 -184.2 -96.9 PHI 37 37 A 65 MET N A 65 MET CA A 65 MET C A 66 HIS N 1.0 128.8 168.8 PSI 38 38 A 66 HIS C A 67 GLU N A 67 GLU CA A 67 GLU C 1.0 -75.4 -35.4 PHI 39 39 A 67 GLU N A 67 GLU CA A 67 GLU C A 68 SER N 1.0 -61.9 -20.7 PSI 40 40 A 67 GLU C A 68 SER N A 68 SER CA A 68 SER C 1.0 -81.2 -41.2 PHI 41 41 A 68 SER N A 68 SER CA A 68 SER C A 69 CYS N 1.0 -41.0 -1.0 PSI 42 42 A 69 CYS C A 70 LEU N A 70 LEU CA A 70 LEU C 1.0 -83.1 -43.1 PHI 43 43 A 70 LEU N A 70 LEU CA A 70 LEU C A 71 LEU N 1.0 -62.6 -22.6 PSI 44 44 A 70 LEU C A 71 LEU N A 71 LEU CA A 71 LEU C 1.0 -84.6 -44.6 PHI 45 45 A 71 LEU N A 71 LEU CA A 71 LEU C A 72 GLU N 1.0 -58.6 -18.6 PSI 46 46 A 71 LEU C A 72 GLU N A 72 GLU CA A 72 GLU C 1.0 -85.4 -45.4 PHI 47 47 A 72 GLU N A 72 GLU CA A 72 GLU C A 73 TRP N 1.0 -59.2 -19.2 PSI 48 48 A 72 GLU C A 73 TRP N A 73 TRP CA A 73 TRP C 1.0 -86.6 -46.6 PHI 49 49 A 73 TRP N A 73 TRP CA A 73 TRP C A 74 VAL N 1.0 -62.2 -22.2 PSI 50 50 A 73 TRP C A 74 VAL N A 74 VAL CA A 74 VAL C 1.0 -91.7 -42.8 PHI 51 51 A 74 VAL N A 74 VAL CA A 74 VAL C A 75 ALA N 1.0 -80.3 4.8 PSI 52 52 A 74 VAL C A 75 ALA N A 75 ALA CA A 75 ALA C 1.0 -94.4 -34.4 PHI 53 53 A 75 ALA N A 75 ALA CA A 75 ALA C A 76 SER N 1.0 -67.3 -12.3 PSI 54 54 A 75 ALA C A 76 SER N A 76 SER CA A 76 SER C 1.0 -89.1 -49.1 PHI 55 55 A 76 SER N A 76 SER CA A 76 SER C A 77 LYS N 1.0 -42.9 1.8 PSI 56 56 A 76 SER C A 77 LYS N A 77 LYS CA A 77 LYS C 1.0 -119.6 -77.5 PHI 57 57 A 77 LYS N A 77 LYS CA A 77 LYS C A 78 ASN N 1.0 -9.6 30.4 PSI 58 58 A 77 LYS C A 78 ASN N A 78 ASN CA A 78 ASN C 1.0 40.6 81.2 PHI 59 59 A 78 ASN N A 78 ASN CA A 78 ASN C A 79 ILE N 1.0 0.3 81.5 PSI 60 60 A 79 ILE C A 80 ASP N A 80 ASP CA A 80 ASP C 1.0 -135.2 -45.4 PHI 61 61 A 80 ASP N A 80 ASP CA A 80 ASP C A 81 ILE N 1.0 75.4 175.0 PSI 62 62 A 80 ASP C A 81 ILE N A 81 ILE CA A 81 ILE C 1.0 -110.7 -33.4 PHI 63 63 A 81 ILE N A 81 ILE CA A 81 ILE C A 82 SER N 1.0 -60.4 27.4 PSI 64 64 A 81 ILE C A 82 SER N A 82 SER CA A 82 SER C 1.0 -119.3 -52.9 PHI 65 65 A 82 SER N A 82 SER CA A 82 SER C A 83 LYS N 1.0 -45.6 24.9 PSI 66 66 A 88 VAL C A 89 LYS N A 89 LYS CA A 89 LYS C 1.0 -155.7 -66.1 PHI 67 67 A 89 LYS N A 89 LYS CA A 89 LYS C A 90 CYS N 1.0 93.7 184.0 PSI 68 68 A 90 CYS C A 91 ASP N A 91 ASP CA A 91 ASP C 1.0 -96.4 -56.4 PHI 69 69 A 91 ASP C A 92 ILE N A 92 ILE CA A 92 ILE C 1.0 -103.8 -32.4 PHI 70 70 A 94 HIS C A 95 TYR N A 95 TYR CA A 95 TYR C 1.0 -142.8 -20.0 PHI 71 71 A 95 TYR N A 95 TYR CA A 95 TYR C A 96 PRO N 1.0 99.2 157.2 PSI 72 72 A 96 PRO C A 97 ILE N A 97 ILE CA A 97 ILE C 1.0 -136.3 -57.7 PHI 73 73 A 97 ILE N A 97 ILE CA A 97 ILE C A 98 GLN N 1.0 95.4 150.1 PSI 74 74 A 97 ILE C A 98 GLN N A 98 GLN CA A 98 GLN C 1.0 -138.7 -49.5 PHI 75 75 A 98 GLN N A 98 GLN CA A 98 GLN C A 99 PHE N 1.0 73.5 184.4 PSI 76 76 A 98 GLN C A 99 PHE N A 99 PHE CA A 99 PHE C 1.0 -144.4 -46.5 PHI 77 77 A 99 PHE N A 99 PHE CA A 99 PHE C A 100 LYS N 1.0 70.5 199.4 PSI 78 78 A 99 PHE C A 100 LYS N A 100 LYS CA A 100 LYS C 1.0 -155.7 -37.2 PHI 79 79 A 100 LYS N A 100 LYS CA A 100 LYS C A 101 THR N 1.0 81.9 168.4 PSI stop_ save_ save_DYANA/DIANA_dipolar_coupling_4 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode DYANA/DIANA_dipolar_coupling_4 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 20 ALA H A 20 ALA N 1.0 . . . 2 2 A 21 ASN H A 21 ASN N 1.0 . . . 3 3 A 22 GLU H A 22 GLU N 1.0 . . . 4 4 A 23 GLU H A 23 GLU N 1.0 . . . 5 5 A 24 THR H A 24 THR N 1.0 . . . 6 6 A 25 ASP H A 25 ASP N 1.0 . . . 7 7 A 26 THR H A 26 THR N 1.0 . . . 8 8 A 27 ALA H A 27 ALA N 1.0 . . . 9 9 A 28 THR H A 28 THR N 1.0 . . . 10 10 A 29 PHE H A 29 PHE N 1.0 . . . 11 11 A 30 ASN H A 30 ASN N 1.0 . . . 12 12 A 31 ASP H A 31 ASP N 1.0 . . . 13 13 A 32 ASP H A 32 ASP N 1.0 . . . 14 14 A 33 ALA H A 33 ALA N 1.0 . . . 15 15 A 35 SER H A 35 SER N 1.0 . . . 16 16 A 36 GLY H A 36 GLY N 1.0 . . . 17 17 A 37 ALA H A 37 ALA N 1.0 . . . 18 18 A 38 THR H A 38 THR N 1.0 . . . 19 19 A 39 CYS H A 39 CYS N 1.0 . . . 20 20 A 40 ARG H A 40 ARG N 1.0 . . . 21 21 A 41 ILE H A 41 ILE N 1.0 . . . 22 22 A 42 CYS H A 42 CYS N 1.0 . . . 23 23 A 43 ARG H A 43 ARG N 1.0 . . . 24 24 A 44 GLY H A 44 GLY N 1.0 . . . 25 25 A 45 GLU H A 45 GLU N 1.0 . . . 26 26 A 46 ALA H A 46 ALA N 1.0 . . . 27 27 A 47 THR H A 47 THR N 1.0 . . . 28 28 A 48 GLU H A 48 GLU N 1.0 . . . 29 29 A 49 ASP H A 49 ASP N 1.0 . . . 30 30 A 50 ASN H A 50 ASN N 1.0 . . . 31 31 A 52 LEU H A 52 LEU N 1.0 . . . 32 32 A 53 PHE H A 53 PHE N 1.0 . . . 33 33 A 54 HIS H A 54 HIS N 1.0 . . . 34 34 A 56 CYS H A 56 CYS N 1.0 . . . 35 35 A 57 LYS H A 57 LYS N 1.0 . . . 36 36 A 58 CYS H A 58 CYS N 1.0 . . . 37 37 A 59 ARG H A 59 ARG N 1.0 . . . 38 38 A 60 GLY H A 60 GLY N 1.0 . . . 39 39 A 62 ILE H A 62 ILE N 1.0 . . . 40 40 A 63 LYS H A 63 LYS N 1.0 . . . 41 41 A 64 TYR H A 64 TYR N 1.0 . . . 42 42 A 65 MET H A 65 MET N 1.0 . . . 43 43 A 67 GLU H A 67 GLU N 1.0 . . . 44 44 A 68 SER H A 68 SER N 1.0 . . . 45 45 A 69 CYS H A 69 CYS N 1.0 . . . 46 46 A 70 LEU H A 70 LEU N 1.0 . . . 47 47 A 71 LEU H A 71 LEU N 1.0 . . . 48 48 A 72 GLU H A 72 GLU N 1.0 . . . 49 49 A 73 TRP H A 73 TRP N 1.0 . . . 50 50 A 74 VAL H A 74 VAL N 1.0 . . . 51 51 A 75 ALA H A 75 ALA N 1.0 . . . 52 52 A 76 SER H A 76 SER N 1.0 . . . 53 53 A 77 LYS H A 77 LYS N 1.0 . . . 54 54 A 78 ASN H A 78 ASN N 1.0 . . . 55 55 A 79 ILE H A 79 ILE N 1.0 . . . 56 56 A 80 ASP H A 80 ASP N 1.0 . . . 57 57 A 81 ILE H A 81 ILE N 1.0 . . . 58 58 A 82 SER H A 82 SER N 1.0 . . . 59 59 A 83 LYS H A 83 LYS N 1.0 . . . 60 60 A 85 GLY H A 85 GLY N 1.0 . . . 61 61 A 86 ALA H A 86 ALA N 1.0 . . . 62 62 A 87 ASP H A 87 ASP N 1.0 . . . 63 63 A 88 VAL H A 88 VAL N 1.0 . . . 64 64 A 89 LYS H A 89 LYS N 1.0 . . . 65 65 A 90 CYS H A 90 CYS N 1.0 . . . 66 66 A 91 ASP H A 91 ASP N 1.0 . . . 67 67 A 92 ILE H A 92 ILE N 1.0 . . . 68 68 A 93 CYS H A 93 CYS N 1.0 . . . 69 69 A 94 HIS H A 94 HIS N 1.0 . . . 70 70 A 95 TYR H A 95 TYR N 1.0 . . . 71 71 A 97 ILE H A 97 ILE N 1.0 . . . 72 72 A 98 GLN H A 98 GLN N 1.0 . . . 73 73 A 99 PHE H A 99 PHE N 1.0 . . . 74 74 A 100 LYS H A 100 LYS N 1.0 . . . 75 75 A 101 THR H A 101 THR N 1.0 . . . stop_ save_ save_DYANA/DIANA_dipolar_coupling_5 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode DYANA/DIANA_dipolar_coupling_5 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 20 ALA H A 20 ALA N 1.0 . . . 2 2 A 21 ASN H A 21 ASN N 1.0 . . . 3 3 A 22 GLU H A 22 GLU N 1.0 . . . 4 4 A 23 GLU H A 23 GLU N 1.0 . . . 5 5 A 24 THR H A 24 THR N 1.0 . . . 6 6 A 25 ASP H A 25 ASP N 1.0 . . . 7 7 A 26 THR H A 26 THR N 1.0 . . . 8 8 A 27 ALA H A 27 ALA N 1.0 . . . 9 9 A 28 THR H A 28 THR N 1.0 . . . 10 10 A 29 PHE H A 29 PHE N 1.0 . . . 11 11 A 30 ASN H A 30 ASN N 1.0 . . . 12 12 A 31 ASP H A 31 ASP N 1.0 . . . 13 13 A 32 ASP H A 32 ASP N 1.0 . . . 14 14 A 33 ALA H A 33 ALA N 1.0 . . . 15 15 A 35 SER H A 35 SER N 1.0 . . . 16 16 A 36 GLY H A 36 GLY N 1.0 . . . 17 17 A 37 ALA H A 37 ALA N 1.0 . . . 18 18 A 38 THR H A 38 THR N 1.0 . . . 19 19 A 39 CYS H A 39 CYS N 1.0 . . . 20 20 A 40 ARG H A 40 ARG N 1.0 . . . 21 21 A 41 ILE H A 41 ILE N 1.0 . . . 22 22 A 42 CYS H A 42 CYS N 1.0 . . . 23 23 A 43 ARG H A 43 ARG N 1.0 . . . 24 24 A 44 GLY H A 44 GLY N 1.0 . . . 25 25 A 45 GLU H A 45 GLU N 1.0 . . . 26 26 A 46 ALA H A 46 ALA N 1.0 . . . 27 27 A 47 THR H A 47 THR N 1.0 . . . 28 28 A 48 GLU H A 48 GLU N 1.0 . . . 29 29 A 49 ASP H A 49 ASP N 1.0 . . . 30 30 A 50 ASN H A 50 ASN N 1.0 . . . 31 31 A 52 LEU H A 52 LEU N 1.0 . . . 32 32 A 53 PHE H A 53 PHE N 1.0 . . . 33 33 A 54 HIS H A 54 HIS N 1.0 . . . 34 34 A 56 CYS H A 56 CYS N 1.0 . . . 35 35 A 57 LYS H A 57 LYS N 1.0 . . . 36 36 A 58 CYS H A 58 CYS N 1.0 . . . 37 37 A 59 ARG H A 59 ARG N 1.0 . . . 38 38 A 60 GLY H A 60 GLY N 1.0 . . . 39 39 A 62 ILE H A 62 ILE N 1.0 . . . 40 40 A 63 LYS H A 63 LYS N 1.0 . . . 41 41 A 64 TYR H A 64 TYR N 1.0 . . . 42 42 A 65 MET H A 65 MET N 1.0 . . . 43 43 A 67 GLU H A 67 GLU N 1.0 . . . 44 44 A 68 SER H A 68 SER N 1.0 . . . 45 45 A 69 CYS H A 69 CYS N 1.0 . . . 46 46 A 70 LEU H A 70 LEU N 1.0 . . . 47 47 A 71 LEU H A 71 LEU N 1.0 . . . 48 48 A 73 TRP H A 73 TRP N 1.0 . . . 49 49 A 74 VAL H A 74 VAL N 1.0 . . . 50 50 A 75 ALA H A 75 ALA N 1.0 . . . 51 51 A 76 SER H A 76 SER N 1.0 . . . 52 52 A 77 LYS H A 77 LYS N 1.0 . . . 53 53 A 78 ASN H A 78 ASN N 1.0 . . . 54 54 A 79 ILE H A 79 ILE N 1.0 . . . 55 55 A 80 ASP H A 80 ASP N 1.0 . . . 56 56 A 81 ILE H A 81 ILE N 1.0 . . . 57 57 A 82 SER H A 82 SER N 1.0 . . . 58 58 A 83 LYS H A 83 LYS N 1.0 . . . 59 59 A 85 GLY H A 85 GLY N 1.0 . . . 60 60 A 86 ALA H A 86 ALA N 1.0 . . . 61 61 A 87 ASP H A 87 ASP N 1.0 . . . 62 62 A 88 VAL H A 88 VAL N 1.0 . . . 63 63 A 89 LYS H A 89 LYS N 1.0 . . . 64 64 A 90 CYS H A 90 CYS N 1.0 . . . 65 65 A 91 ASP H A 91 ASP N 1.0 . . . 66 66 A 92 ILE H A 92 ILE N 1.0 . . . 67 67 A 93 CYS H A 93 CYS N 1.0 . . . 68 68 A 94 HIS H A 94 HIS N 1.0 . . . 69 69 A 95 TYR H A 95 TYR N 1.0 . . . 70 70 A 97 ILE H A 97 ILE N 1.0 . . . 71 71 A 98 GLN H A 98 GLN N 1.0 . . . 72 72 A 99 PHE H A 99 PHE N 1.0 . . . 73 73 A 100 LYS H A 100 LYS N 1.0 . . . 74 74 A 101 THR H A 101 THR N 1.0 . . . stop_ save_