data_nef_c16116_2kdl save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 6945 BMRB 7280 BMRB 15535 BMRB 15537 BMRB 16117 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 THR start . . 2 A 2 THR middle . . 3 A 3 TYR middle . . 4 A 4 LYS middle . . 5 A 5 LEU middle . . 6 A 6 ILE middle . . 7 A 7 LEU middle . . 8 A 8 ASN middle . . 9 A 9 LEU middle . . 10 A 10 LYS middle . . 11 A 11 GLN middle . . 12 A 12 ALA middle . . 13 A 13 LYS middle . . 14 A 14 GLU middle . . 15 A 15 GLU middle . . 16 A 16 ALA middle . . 17 A 17 ILE middle . . 18 A 18 LYS middle . . 19 A 19 GLU middle . . 20 A 20 LEU middle . . 21 A 21 VAL middle . . 22 A 22 ASP middle . . 23 A 23 ALA middle . . 24 A 24 GLY middle . false 25 A 25 THR middle . . 26 A 26 ALA middle . . 27 A 27 GLU middle . . 28 A 28 LYS middle . . 29 A 29 TYR middle . . 30 A 30 ILE middle . . 31 A 31 LYS middle . . 32 A 32 LEU middle . . 33 A 33 ILE middle . . 34 A 34 ALA middle . . 35 A 35 ASN middle . . 36 A 36 ALA middle . . 37 A 37 LYS middle . . 38 A 38 THR middle . . 39 A 39 VAL middle . . 40 A 40 GLU middle . . 41 A 41 GLY middle . false 42 A 42 VAL middle . . 43 A 43 TRP middle . . 44 A 44 THR middle . . 45 A 45 LEU middle . . 46 A 46 LYS middle . . 47 A 47 ASP middle . . 48 A 48 GLU middle . . 49 A 49 ILE middle . . 50 A 50 LYS middle . . 51 A 51 THR middle . . 52 A 52 PHE middle . . 53 A 53 THR middle . . 54 A 54 VAL middle . . 55 A 55 THR middle . . 56 A 56 GLU end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 THR C C 13 173.282 0.5 A 1 THR CG2 C 13 20.376 0.5 A 2 THR H H 1 8.109 0.004 A 2 THR HA H 1 4.4 0.007 A 2 THR HB H 1 4.178 0.017 A 2 THR HG2% H 1 1.259 0.05 A 2 THR C C 13 173.933 0.5 A 2 THR CA C 13 61.842 0.04 A 2 THR CB C 13 69.793 0.129 A 2 THR CG2 C 13 21.371 0.5 A 2 THR N N 15 128.532 0.049 A 3 TYR H H 1 8.424 0.028 A 3 TYR HA H 1 4.434 0.055 A 3 TYR HB2 H 1 2.965 0.016 A 3 TYR HB3 H 1 2.965 0.016 A 3 TYR HD1 H 1 7.174 0.056 A 3 TYR HD2 H 1 7.174 0.056 A 3 TYR HE1 H 1 6.923 0.002 A 3 TYR HE2 H 1 6.923 0.002 A 3 TYR C C 13 175.696 0.5 A 3 TYR CA C 13 58.21 0.014 A 3 TYR CB C 13 38.473 0.083 A 3 TYR CE1 C 13 119.37 0.5 A 3 TYR CE2 C 13 119.37 0.5 A 3 TYR N N 15 123.975 0.026 A 4 LYS H H 1 8.16 0.033 A 4 LYS HA H 1 4.217 0.011 A 4 LYS HB2 H 1 1.727 0.012 A 4 LYS HB3 H 1 1.727 0.012 A 4 LYS HE2 H 1 2.971 0.05 A 4 LYS HE3 H 1 2.971 0.05 A 4 LYS HG2 H 1 1.329 0.011 A 4 LYS HG3 H 1 1.329 0.011 A 4 LYS C C 13 175.989 0.5 A 4 LYS CA C 13 56.657 0.029 A 4 LYS CB C 13 32.834 0.15 A 4 LYS CD C 13 29.04 0.5 A 4 LYS CE C 13 41.51 0.5 A 4 LYS CG C 13 24.474 0.5 A 4 LYS N N 15 122.591 0 A 5 LEU H H 1 8.05 0.025 A 5 LEU HA H 1 4.325 0.032 A 5 LEU HB2 H 1 1.695 0.006 A 5 LEU HB3 H 1 1.695 0.006 A 5 LEU HDx% H 1 1.001 0.01 A 5 LEU C C 13 177.233 0.5 A 5 LEU CA C 13 55.392 0.098 A 5 LEU CB C 13 41.995 0.033 A 5 LEU CD1 C 13 24.356 0.5 A 5 LEU CD2 C 13 23.478 0.5 A 5 LEU CG C 13 26.815 0.5 A 5 LEU N N 15 122.335 0.08 A 6 ILE H H 1 8.136 0.041 A 6 ILE HA H 1 4.23 0.036 A 6 ILE HB H 1 2.038 0.01 A 6 ILE HD1% H 1 0.995 0.013 A 6 ILE HG12 H 1 1.684 0.068 A 6 ILE HG13 H 1 1.684 0.068 A 6 ILE HG2% H 1 1.334 0.027 A 6 ILE C C 13 176.253 0.5 A 6 ILE CA C 13 61.256 0.049 A 6 ILE CB C 13 38.07 0.04 A 6 ILE CD1 C 13 12.238 0.5 A 6 ILE CG1 C 13 27.225 0.5 A 6 ILE CG2 C 13 17.39 0.5 A 6 ILE N N 15 122.472 0 A 7 LEU H H 1 8.234 0.024 A 7 LEU HA H 1 4.521 0.017 A 7 LEU HB2 H 1 1.764 0.05 A 7 LEU HB3 H 1 1.764 0.05 A 7 LEU HDx% H 1 1.006 0.008 A 7 LEU C C 13 177.087 0.5 A 7 LEU CA C 13 55.268 0.033 A 7 LEU CB C 13 42.738 0.031 A 7 LEU CD1 C 13 23.01 0.5 A 7 LEU CG C 13 25.059 0.5 A 7 LEU N N 15 125.667 0 A 8 ASN H H 1 8.195 0.015 A 8 ASN HA H 1 4.801 0.02 A 8 ASN HB2 H 1 3.03 0.02 A 8 ASN HB3 H 1 3.03 0.02 A 8 ASN HD2y H 1 7.634 0.004 A 8 ASN HD2x H 1 6.979 0.002 A 8 ASN C C 13 175.345 0.5 A 8 ASN CA C 13 52.541 0.051 A 8 ASN CB C 13 38.782 0.051 A 8 ASN N N 15 118.15 0 A 8 ASN ND2 N 15 111.845 0.033 A 9 LEU H H 1 8.434 0.045 A 9 LEU HA H 1 3.974 0.01 A 9 LEU HBy H 1 1.961 0.028 A 9 LEU HBx H 1 1.493 0.024 A 9 LEU HDx% H 1 0.914 0.014 A 9 LEU HDy% H 1 0.621 0.007 A 9 LEU C C 13 177.16 0.5 A 9 LEU CA C 13 58.418 0.138 A 9 LEU CB C 13 42.073 0.033 A 9 LEU CD1 C 13 22.951 0.5 A 9 LEU CG C 13 25.586 0.5 A 9 LEU N N 15 121.944 0 A 10 LYS H H 1 8.115 0.036 A 10 LYS HA H 1 3.964 0.01 A 10 LYS HB2 H 1 1.96 0.008 A 10 LYS HB3 H 1 1.96 0.008 A 10 LYS HE2 H 1 3.028 0.05 A 10 LYS HE3 H 1 3.028 0.05 A 10 LYS C C 13 178.535 0.5 A 10 LYS CA C 13 60.121 0.119 A 10 LYS CB C 13 32.108 0.064 A 10 LYS CE C 13 41.956 0.5 A 10 LYS CG C 13 24.802 0.5 A 10 LYS N N 15 118.923 0 A 11 GLN H H 1 7.647 0.043 A 11 GLN HA H 1 4.198 0.013 A 11 GLN HBy H 1 2.299 0.03 A 11 GLN HBx H 1 2.197 0.015 A 11 GLN HE2y H 1 7.788 0.001 A 11 GLN HE2x H 1 6.828 0.005 A 11 GLN HG2 H 1 2.607 0.031 A 11 GLN HG3 H 1 2.607 0.031 A 11 GLN C C 13 179.267 0.5 A 11 GLN CA C 13 59.331 0.016 A 11 GLN CB C 13 29.621 0.5 A 11 GLN CG C 13 36.299 0.5 A 11 GLN N N 15 117.482 0.014 A 11 GLN NE2 N 15 111.662 0.026 A 12 ALA H H 1 8.431 0.036 A 12 ALA HA H 1 4.2 0.009 A 12 ALA HB% H 1 1.415 0.031 A 12 ALA C C 13 179.809 0.5 A 12 ALA CA C 13 55.484 0.113 A 12 ALA CB C 13 18.673 0.5 A 12 ALA N N 15 122.387 0 A 13 LYS H H 1 8.361 0.037 A 13 LYS HA H 1 3.671 0.032 A 13 LYS HB2 H 1 1.732 0.017 A 13 LYS HB3 H 1 1.732 0.017 A 13 LYS HD2 H 1 1.932 0.014 A 13 LYS HD3 H 1 1.932 0.014 A 13 LYS HG2 H 1 1.236 0.022 A 13 LYS HG3 H 1 1.236 0.022 A 13 LYS C C 13 177.701 0.5 A 13 LYS CA C 13 60.773 0.018 A 13 LYS CB C 13 33.191 0.002 A 13 LYS CD C 13 29.484 0.003 A 13 LYS CG C 13 27.144 0.5 A 13 LYS N N 15 116.79 0 A 14 GLU H H 1 7.953 0.041 A 14 GLU HA H 1 3.979 0.028 A 14 GLU HB2 H 1 2.102 0.005 A 14 GLU HB3 H 1 2.102 0.005 A 14 GLU HG2 H 1 2.376 0.025 A 14 GLU HG3 H 1 2.376 0.025 A 14 GLU C C 13 178.067 0.5 A 14 GLU CA C 13 59.824 0.5 A 14 GLU CB C 13 29.389 0.094 A 14 GLU CG C 13 35.956 0.021 A 14 GLU N N 15 116.988 0 A 15 GLU H H 1 8.442 0.028 A 15 GLU HA H 1 4.053 0.01 A 15 GLU HB2 H 1 2.137 0.03 A 15 GLU HB3 H 1 2.137 0.03 A 15 GLU C C 13 178.374 0.5 A 15 GLU CA C 13 58.307 0.5 A 15 GLU CB C 13 29.03 0.5 A 15 GLU CG C 13 33.548 0.5 A 15 GLU N N 15 115.659 0.022 A 16 ALA H H 1 8.555 0.028 A 16 ALA HA H 1 4.199 0.007 A 16 ALA HB% H 1 1.344 0.028 A 16 ALA C C 13 179.399 0.5 A 16 ALA CA C 13 55.233 0.015 A 16 ALA CB C 13 17.853 0.5 A 16 ALA N N 15 122.104 0 A 17 ILE H H 1 8.719 0.045 A 17 ILE HA H 1 3.593 0.013 A 17 ILE HB H 1 1.975 0.014 A 17 ILE HD1% H 1 0.989 0.018 A 17 ILE HG12 H 1 1.344 0.007 A 17 ILE HG13 H 1 1.344 0.007 A 17 ILE C C 13 177.131 0.5 A 17 ILE CA C 13 66.796 0.5 A 17 ILE CB C 13 37.7 0.5 A 17 ILE CG1 C 13 27.811 0.5 A 17 ILE N N 15 117.581 0 A 18 LYS H H 1 7.795 0.044 A 18 LYS HA H 1 4.025 0.02 A 18 LYS HB2 H 1 1.946 0.017 A 18 LYS HB3 H 1 1.946 0.017 A 18 LYS HE2 H 1 2.99 0.01 A 18 LYS HE3 H 1 2.99 0.01 A 18 LYS HG2 H 1 1.615 0.027 A 18 LYS HG3 H 1 1.615 0.027 A 18 LYS C C 13 179.34 0.5 A 18 LYS CA C 13 59.829 0.5 A 18 LYS CB C 13 32.079 0.5 A 18 LYS CD C 13 29.486 0.5 A 18 LYS CE C 13 42.212 0.5 A 18 LYS CG C 13 24.883 0.5 A 18 LYS N N 15 119.291 0.029 A 19 GLU H H 1 8.331 0.058 A 19 GLU HA H 1 4.197 0.031 A 19 GLU HB2 H 1 2.234 0.016 A 19 GLU HB3 H 1 2.234 0.016 A 19 GLU HG2 H 1 2.793 0.054 A 19 GLU HG3 H 1 2.793 0.054 A 19 GLU C C 13 179.926 0.5 A 19 GLU CA C 13 58.483 0.5 A 19 GLU CB C 13 28.508 0.5 A 19 GLU CG C 13 35.948 0.5 A 19 GLU N N 15 118.386 0 A 20 LEU H H 1 8.27 0.042 A 20 LEU HA H 1 4.198 0.019 A 20 LEU HBy H 1 2.259 0.038 A 20 LEU HBx H 1 2.127 0.013 A 20 LEU HDx% H 1 0.948 0.026 A 20 LEU HG H 1 1.411 0.021 A 20 LEU C C 13 180.511 0.5 A 20 LEU CA C 13 57.429 0.5 A 20 LEU CB C 13 40.978 0.5 A 20 LEU N N 15 119.581 0 A 21 VAL H H 1 9.479 0.05 A 21 VAL HA H 1 3.991 0.035 A 21 VAL HB H 1 2.319 0.01 A 21 VAL HGx% H 1 1.158 0.05 A 21 VAL C C 13 180.906 0.5 A 21 VAL CA C 13 66.562 0.5 A 21 VAL CB C 13 31.435 0.5 A 21 VAL CG1 C 13 21.254 0.5 A 21 VAL N N 15 125.03 0 A 22 ASP H H 1 8.401 0.031 A 22 ASP HA H 1 4.541 0.001 A 22 ASP HB2 H 1 2.859 0.004 A 22 ASP HB3 H 1 2.859 0.004 A 22 ASP C C 13 177.204 0.5 A 22 ASP CA C 13 57.019 0.5 A 22 ASP CB C 13 39.983 0.5 A 22 ASP N N 15 122.749 0 A 23 ALA H H 1 7.485 0.044 A 23 ALA HA H 1 4.522 0.017 A 23 ALA HB% H 1 1.625 0.03 A 23 ALA C C 13 177.965 0.5 A 23 ALA CA C 13 52.13 0.051 A 23 ALA CB C 13 18.673 0.074 A 23 ALA N N 15 119.207 0 A 24 GLY H H 1 8.15 0.033 A 24 GLY HAy H 1 4.183 0.027 A 24 GLY HAx H 1 4.026 0.021 A 24 GLY C C 13 174.731 0.5 A 24 GLY CA C 13 45.916 0.075 A 24 GLY N N 15 108.009 0 A 25 THR H H 1 7.786 0.042 A 25 THR HA H 1 4.151 0.018 A 25 THR HB H 1 3.717 0.003 A 25 THR HG2% H 1 1.618 0.031 A 25 THR C C 13 173.194 0.5 A 25 THR CA C 13 63.84 0.015 A 25 THR CB C 13 69.255 0.034 A 25 THR CG2 C 13 22.307 0.5 A 25 THR N N 15 117.202 0 A 26 ALA H H 1 8.978 0.04 A 26 ALA HA H 1 4.391 0.001 A 26 ALA HB% H 1 1.631 0.006 A 26 ALA C C 13 178.935 0.5 A 26 ALA CA C 13 53.038 0.031 A 26 ALA CB C 13 18.566 0.027 A 26 ALA N N 15 128.127 0 A 27 GLU H H 1 8.803 0.034 A 27 GLU HA H 1 3.966 0.012 A 27 GLU HB2 H 1 2.136 0.05 A 27 GLU HB3 H 1 2.136 0.05 A 27 GLU HG2 H 1 2.352 0.022 A 27 GLU HG3 H 1 2.352 0.022 A 27 GLU C C 13 179.999 0.5 A 27 GLU CA C 13 59.465 0.206 A 27 GLU CB C 13 29.211 0.5 A 27 GLU CG C 13 36.475 0.5 A 27 GLU N N 15 123.075 0.028 A 28 LYS H H 1 8.455 0.048 A 28 LYS HA H 1 4.048 0.025 A 28 LYS HB2 H 1 2.584 0.05 A 28 LYS HB3 H 1 2.584 0.05 A 28 LYS HD2 H 1 2.193 0.05 A 28 LYS HD3 H 1 2.193 0.05 A 28 LYS C C 13 177.394 0.5 A 28 LYS CA C 13 58.951 0.5 A 28 LYS CB C 13 29.504 0.5 A 28 LYS CE C 13 41.275 0.5 A 28 LYS CG C 13 22.717 0.5 A 28 LYS N N 15 119.368 0 A 29 TYR H H 1 7.349 0.025 A 29 TYR HA H 1 4.768 0.014 A 29 TYR HBy H 1 3.316 0.012 A 29 TYR HBx H 1 2.955 0.014 A 29 TYR HD1 H 1 7.051 0.038 A 29 TYR HD2 H 1 7.051 0.038 A 29 TYR HE1 H 1 6.824 0.003 A 29 TYR HE2 H 1 6.824 0.003 A 29 TYR C C 13 177.496 0.5 A 29 TYR CA C 13 58.599 0.034 A 29 TYR CB C 13 38.229 0.189 A 29 TYR CD1 C 13 132.043 0.5 A 29 TYR CD2 C 13 132.043 0.5 A 29 TYR CE1 C 13 118.894 0.5 A 29 TYR CE2 C 13 118.894 0.5 A 29 TYR N N 15 117.039 0.018 A 30 ILE H H 1 7.535 0.025 A 30 ILE HA H 1 3.638 0.013 A 30 ILE HB H 1 2.131 0.022 A 30 ILE HD1% H 1 0.931 0.051 A 30 ILE HG12 H 1 1.692 0.004 A 30 ILE HG13 H 1 1.692 0.004 A 30 ILE HG2% H 1 1.197 0.05 A 30 ILE C C 13 178.462 0.5 A 30 ILE CA C 13 65.156 0.167 A 30 ILE CB C 13 36.867 0.04 A 30 ILE CD1 C 13 12.639 0.075 A 30 ILE CG1 C 13 29.247 0.004 A 30 ILE N N 15 120.828 0 A 31 LYS H H 1 7.862 0.022 A 31 LYS HA H 1 4.053 0.015 A 31 LYS HBy H 1 1.784 0.012 A 31 LYS HBx H 1 1.561 0.011 A 31 LYS HG2 H 1 2.126 0.05 A 31 LYS HG3 H 1 2.126 0.05 A 31 LYS C C 13 178.243 0.5 A 31 LYS CA C 13 58.796 0.033 A 31 LYS CB C 13 31.723 0.5 A 31 LYS CD C 13 28.923 0.5 A 31 LYS CG C 13 24.919 0.5 A 31 LYS N N 15 116.578 0 A 32 LEU H H 1 7.353 0.033 A 32 LEU HA H 1 4.128 0.021 A 32 LEU HBy H 1 2.217 0.028 A 32 LEU HBx H 1 1.683 0.02 A 32 LEU HDx% H 1 0.937 0.05 A 32 LEU C C 13 180.028 0.5 A 32 LEU CA C 13 57.809 0.043 A 32 LEU CB C 13 41.196 0.056 A 32 LEU CD1 C 13 21.605 0.5 A 32 LEU CG C 13 25.235 0.5 A 32 LEU N N 15 117.03 0.029 A 33 ILE H H 1 7.494 0.021 A 33 ILE HA H 1 3.76 0.05 A 33 ILE HB H 1 2.256 0.032 A 33 ILE HD1% H 1 0.978 0.032 A 33 ILE HG12 H 1 1.541 0.051 A 33 ILE HG13 H 1 1.541 0.051 A 33 ILE C C 13 178.477 0.5 A 33 ILE CA C 13 62.407 0.045 A 33 ILE CB C 13 35.407 0.13 A 33 ILE CD1 C 13 18.678 0.5 A 33 ILE N N 15 118.141 0 A 34 ALA H H 1 7.777 0.034 A 34 ALA HA H 1 4.031 0.018 A 34 ALA HB% H 1 1.537 0.021 A 34 ALA C C 13 178.857 0.5 A 34 ALA CA C 13 54.662 0.06 A 34 ALA CB C 13 18.492 0.5 A 34 ALA N N 15 119.23 0.048 A 35 ASN H H 1 7.418 0.022 A 35 ASN HA H 1 4.863 0.062 A 35 ASN HBy H 1 3.009 0.009 A 35 ASN HBx H 1 2.804 0.014 A 35 ASN HD2y H 1 7.655 0.004 A 35 ASN HD2x H 1 7.065 0.003 A 35 ASN C C 13 175.345 0.5 A 35 ASN CA C 13 52.686 0.041 A 35 ASN CB C 13 39.075 0.012 A 35 ASN N N 15 113.022 0 A 35 ASN ND2 N 15 112.969 0.021 A 36 ALA H H 1 7.529 0.021 A 36 ALA HA H 1 4.329 0.004 A 36 ALA HB% H 1 1.483 0.022 A 36 ALA C C 13 177.862 0.5 A 36 ALA CA C 13 53.389 0.031 A 36 ALA CB C 13 19.141 0.5 A 36 ALA N N 15 124.061 0.019 A 37 LYS H H 1 8.891 0.031 A 37 LYS HA H 1 4.45 0.045 A 37 LYS HBy H 1 2.091 0.027 A 37 LYS HBx H 1 1.88 0.014 A 37 LYS HG2 H 1 1.607 0.023 A 37 LYS HG3 H 1 1.607 0.023 A 37 LYS C C 13 176.758 0.5 A 37 LYS CA C 13 56.476 0.06 A 37 LYS CB C 13 34.789 0.051 A 37 LYS CD C 13 28.432 0.5 A 37 LYS CE C 13 42.073 0.5 A 37 LYS CG C 13 24.883 0.5 A 37 LYS N N 15 117.071 0 A 38 THR H H 1 7.406 0.026 A 38 THR HA H 1 4.704 0.042 A 38 THR HB H 1 4.489 0.05 A 38 THR HG2% H 1 1.458 0.031 A 38 THR C C 13 173.984 0.5 A 38 THR CA C 13 58.248 0.5 A 38 THR CB C 13 72.884 0.5 A 38 THR CG2 C 13 21.605 0.5 A 38 THR N N 15 106.34 0.015 A 39 VAL H H 1 8.967 0.034 A 39 VAL HA H 1 3.208 0.018 A 39 VAL HB H 1 2.311 0.05 A 39 VAL HGx% H 1 0.666 0.017 A 39 VAL C C 13 176.735 0.5 A 39 VAL CA C 13 67.315 0.04 A 39 VAL CB C 13 30.909 0.5 A 39 VAL CG1 C 13 19.146 0.5 A 39 VAL N N 15 122.904 0.016 A 40 GLU H H 1 8.9 0.031 A 40 GLU HA H 1 4.076 0.041 A 40 GLU HB2 H 1 2.09 0.017 A 40 GLU HB3 H 1 2.09 0.017 A 40 GLU HG2 H 1 2.419 0.049 A 40 GLU HG3 H 1 2.419 0.049 A 40 GLU C C 13 179.355 0.5 A 40 GLU CA C 13 60.061 0.026 A 40 GLU CB C 13 28.401 0.064 A 40 GLU CG C 13 36.592 0.5 A 40 GLU N N 15 118.19 0 A 41 GLY H H 1 8.199 0.03 A 41 GLY HAy H 1 4.039 0.003 A 41 GLY HAx H 1 3.919 0.007 A 41 GLY C C 13 176.267 0.5 A 41 GLY CA C 13 46.167 0.03 A 41 GLY N N 15 108.663 0.013 A 42 VAL H H 1 7.662 7.84 A 42 VAL HA H 1 3.182 3.36 A 42 VAL HB H 1 1.985 2.163 A 42 VAL HGx% H 1 0.746 0.924 A 42 VAL C C 13 177.014 0.5 A 42 VAL CA C 13 67.03 0.5 A 42 VAL CB C 13 30.616 0.5 A 42 VAL CG1 C 13 21.663 0.5 A 42 VAL N N 15 123.036 0 A 43 TRP H H 1 7.726 0.037 A 43 TRP HA H 1 4.64 0.013 A 43 TRP HBy H 1 3.522 0.003 A 43 TRP HBx H 1 3.415 0.025 A 43 TRP HD1 H 1 7.202 0.017 A 43 TRP HE1 H 1 10.051 0.033 A 43 TRP HE3 H 1 7.573 0.026 A 43 TRP HH2 H 1 7.135 0.024 A 43 TRP HZ2 H 1 7.471 0.012 A 43 TRP HZ3 H 1 7.199 0.002 A 43 TRP C C 13 179.135 0.5 A 43 TRP CA C 13 59.208 0.036 A 43 TRP CB C 13 29.033 0.059 A 43 TRP CD1 C 13 126.923 0.5 A 43 TRP CE3 C 13 120.926 0.5 A 43 TRP CH2 C 13 121.761 0.5 A 43 TRP CZ2 C 13 115.873 0.068 A 43 TRP CZ3 C 13 124.413 0.5 A 43 TRP N N 15 118.73 0 A 43 TRP NE1 N 15 128.33 0 A 44 THR H H 1 8.545 0.038 A 44 THR HA H 1 4.223 0.025 A 44 THR HB H 1 4.611 0.026 A 44 THR HG2% H 1 1.368 0.001 A 44 THR C C 13 177.189 0.5 A 44 THR CA C 13 66.351 0.032 A 44 THR CB C 13 68.921 0.058 A 44 THR CG2 C 13 21.429 0.5 A 44 THR N N 15 115.228 0 A 45 LEU H H 1 7.961 0.028 A 45 LEU HA H 1 4.299 0.019 A 45 LEU HB2 H 1 1.938 0.022 A 45 LEU HB3 H 1 1.938 0.022 A 45 LEU HDx% H 1 0.958 0.027 A 45 LEU HG H 1 1.588 0.05 A 45 LEU C C 13 178.301 0.5 A 45 LEU CA C 13 57.759 0.014 A 45 LEU CB C 13 42.462 0.031 A 45 LEU CG C 13 24.474 0.5 A 45 LEU N N 15 123.256 0 A 46 LYS H H 1 8.645 0.031 A 46 LYS HA H 1 3.85 0.018 A 46 LYS HB2 H 1 1.92 0.014 A 46 LYS HB3 H 1 1.92 0.014 A 46 LYS HE2 H 1 2.903 0.05 A 46 LYS HE3 H 1 2.903 0.05 A 46 LYS HG2 H 1 1.599 0.014 A 46 LYS HG3 H 1 1.599 0.014 A 46 LYS C C 13 177.716 0.5 A 46 LYS CA C 13 60.731 0.098 A 46 LYS CB C 13 30.7 0.059 A 46 LYS CG C 13 24.275 0.5 A 46 LYS N N 15 119.178 0.03 A 47 ASP H H 1 7.711 0.04 A 47 ASP HA H 1 4.539 0.016 A 47 ASP HB2 H 1 2.827 0.017 A 47 ASP HB3 H 1 2.827 0.017 A 47 ASP C C 13 178.755 0.5 A 47 ASP CA C 13 57.095 0.055 A 47 ASP CB C 13 40.138 0.073 A 47 ASP N N 15 117.538 0 A 48 GLU H H 1 7.951 0.017 A 48 GLU HA H 1 3.989 0.008 A 48 GLU HB2 H 1 2.127 0.034 A 48 GLU HB3 H 1 2.127 0.034 A 48 GLU HG2 H 1 2.352 0.03 A 48 GLU HG3 H 1 2.352 0.03 A 48 GLU C C 13 179.165 0.5 A 48 GLU CA C 13 59.143 0.033 A 48 GLU CB C 13 29.783 0.071 A 48 GLU CG C 13 36.007 0.5 A 48 GLU N N 15 121.677 0 A 49 ILE H H 1 8.602 0.027 A 49 ILE HA H 1 3.834 0.086 A 49 ILE HB H 1 1.825 0.03 A 49 ILE HD1% H 1 0.819 0.02 A 49 ILE HG12 H 1 1.527 0.05 A 49 ILE HG13 H 1 1.527 0.05 A 49 ILE C C 13 177.379 0.5 A 49 ILE CA C 13 64.044 0.5 A 49 ILE CB C 13 37.896 0.031 A 49 ILE CD1 C 13 11.394 0.5 A 49 ILE N N 15 120.326 0.013 A 50 LYS H H 1 7.785 0.028 A 50 LYS HA H 1 4.057 0.018 A 50 LYS HB2 H 1 1.995 0.019 A 50 LYS HB3 H 1 1.995 0.019 A 50 LYS HD2 H 1 1.924 0.05 A 50 LYS HD3 H 1 1.924 0.05 A 50 LYS HE2 H 1 2.996 0.008 A 50 LYS HE3 H 1 2.996 0.008 A 50 LYS HG2 H 1 1.642 0.019 A 50 LYS HG3 H 1 1.642 0.019 A 50 LYS C C 13 177.848 0.5 A 50 LYS CA C 13 59.629 0.091 A 50 LYS CB C 13 32.026 0.01 A 50 LYS CD C 13 25.235 0.5 A 50 LYS N N 15 119.242 0.028 A 51 THR H H 1 7.609 0.027 A 51 THR HA H 1 4.344 0.022 A 51 THR HB H 1 4.089 0.007 A 51 THR HG2% H 1 1.249 0.061 A 51 THR C C 13 175.36 0.5 A 51 THR CA C 13 63.224 0.031 A 51 THR CB C 13 69.781 0.041 A 51 THR CG2 C 13 21.195 0.5 A 51 THR N N 15 109.871 0.019 A 52 PHE H H 1 7.645 0.031 A 52 PHE HA H 1 4.81 0.022 A 52 PHE HBy H 1 3.238 0.03 A 52 PHE HBx H 1 3.131 0.025 A 52 PHE HD1 H 1 6.946 0.021 A 52 PHE HD2 H 1 6.946 0.021 A 52 PHE HE1 H 1 7.25 0.003 A 52 PHE HE2 H 1 7.25 0.003 A 52 PHE C C 13 176.75 0.5 A 52 PHE CA C 13 56.96 0.5 A 52 PHE CB C 13 37.622 0.144 A 52 PHE CD1 C 13 130.379 0.5 A 52 PHE CD2 C 13 130.379 0.5 A 52 PHE CE1 C 13 131.354 0.5 A 52 PHE CE2 C 13 131.354 0.5 A 52 PHE N N 15 120.96 0.015 A 53 THR H H 1 8.124 0.044 A 53 THR HA H 1 4.472 0.05 A 53 THR HB H 1 4.382 0.024 A 53 THR HG2% H 1 1.318 0.013 A 53 THR C C 13 174.394 0.5 A 53 THR CA C 13 62.464 0.117 A 53 THR CB C 13 70.045 0.018 A 53 THR CG2 C 13 21.546 0.5 A 53 THR N N 15 113.896 0 A 54 VAL H H 1 8.114 0.031 A 54 VAL HA H 1 4.346 0.007 A 54 VAL HB H 1 2.254 0.05 A 54 VAL HGx% H 1 1.091 0.009 A 54 VAL C C 13 176.209 0.5 A 54 VAL CA C 13 62.128 0.071 A 54 VAL CB C 13 32.694 0.056 A 54 VAL CG1 C 13 20.727 0.5 A 54 VAL N N 15 122.467 0.002 A 55 THR H H 1 8.362 0.024 A 55 THR HA H 1 4.409 0.013 A 55 THR HB H 1 4.043 0.05 A 55 THR HG2% H 1 1.357 0.05 A 55 THR C C 13 173.648 0.5 A 55 THR CA C 13 61.875 0.029 A 55 THR CB C 13 69.86 0.048 A 55 THR CG2 C 13 21.371 0.5 A 55 THR N N 15 118.624 0 A 56 GLU H H 1 8.109 0.006 A 56 GLU HA H 1 4.592 0.05 A 56 GLU HB2 H 1 2.174 0.05 A 56 GLU HB3 H 1 2.174 0.05 A 56 GLU CA C 13 58.131 0.5 A 56 GLU CB C 13 30.616 0.5 A 56 GLU N N 15 128.453 0 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 3 TYR HE% A 3 TYR HB2 1.0 1.8 4.0 2 1 A 3 TYR HE% A 3 TYR HB3 1.0 1.8 4.0 3 2 A 3 TYR HE% A 3 TYR HD% 1.0 1.8 3.0 4 3 A 29 TYR HD% A 29 TYR HBy 1.0 1.8 3.0 5 4 A 29 TYR HD% A 29 TYR HE% 1.0 1.8 3.0 6 5 A 29 TYR HBy A 29 TYR HE% 1.0 1.8 4.0 7 6 A 43 TRP HD1 A 43 TRP HA 1.0 2.8 5.0 8 7 A 43 TRP HD1 A 43 TRP HBy 1.0 1.8 4.0 9 8 A 43 TRP HD1 A 43 TRP HE1 1.0 1.8 3.0 10 9 A 43 TRP HD1 A 43 TRP HE3 1.0 1.8 5.5 11 10 A 43 TRP HA A 43 TRP HE3 1.0 1.8 4.0 12 11 A 43 TRP HBy A 43 TRP HE3 1.0 1.8 4.0 13 12 A 43 TRP HH2 A 43 TRP HZ2 1.0 1.8 4.0 14 13 A 43 TRP HE1 A 43 TRP HZ2 1.0 1.8 4.0 15 14 A 43 TRP HH2 A 43 TRP HZ2 1.0 1.8 3.0 16 15 A 43 TRP HH2 A 43 TRP HZ2 1.0 1.8 3.0 17 16 A 43 TRP HE3 A 43 TRP HZ3 1.0 1.8 3.0 18 17 A 52 PHE HD% A 52 PHE HA 1.0 1.8 4.0 19 18 A 52 PHE HD% A 52 PHE HBy 1.0 1.8 4.0 20 19 A 52 PHE HD% A 52 PHE HE% 1.0 1.8 3.0 21 20 A 52 PHE HA A 52 PHE HE% 1.0 1.8 5.5 22 21 A 52 PHE HE% A 52 PHE HBx 1.0 1.8 5.5 23 22 A 52 PHE HD% A 52 PHE HE% 1.0 1.8 3.0 24 23 A 2 THR H A 2 THR HA 1.0 1.8 4.0 25 24 A 2 THR H A 2 THR HB 1.0 1.8 5.5 26 25 A 2 THR H A 2 THR HG2% 1.0 1.8 5.5 27 26 A 3 TYR H A 3 TYR HA 1.0 1.8 4.0 28 27 A 3 TYR H A 3 TYR HB2 1.0 1.8 4.0 29 27 A 3 TYR HB3 A 3 TYR H 1.0 1.8 4.0 30 28 A 3 TYR HD% A 3 TYR H 1.0 2.8 6.0 31 29 A 4 LYS H A 4 LYS HA 1.0 1.8 4.0 32 30 A 4 LYS H A 4 LYS HB2 1.0 1.8 3.0 33 30 A 4 LYS H A 4 LYS HB3 1.0 1.8 3.0 34 31 A 4 LYS H A 4 LYS HE2 1.0 1.8 5.5 35 31 A 4 LYS H A 4 LYS HE3 1.0 1.8 5.5 36 32 A 4 LYS H A 4 LYS HG2 1.0 1.8 4.0 37 32 A 4 LYS H A 4 LYS HG3 1.0 1.8 4.0 38 33 A 5 LEU H A 5 LEU HA 1.0 1.8 3.0 39 34 A 5 LEU H A 5 LEU HB2 1.0 1.8 3.0 40 34 A 5 LEU H A 5 LEU HB3 1.0 1.8 3.0 41 35 A 5 LEU H A 5 LEU HDx% 1.0 1.8 5.5 42 36 A 6 ILE H A 6 ILE HA 1.0 1.8 3.0 43 37 A 6 ILE H A 6 ILE HB 1.0 1.8 3.0 44 38 A 6 ILE H A 6 ILE HD1% 1.0 1.8 3.0 45 39 A 6 ILE H A 6 ILE HG12 1.0 1.8 3.0 46 39 A 6 ILE H A 6 ILE HG13 1.0 1.8 3.0 47 40 A 6 ILE H A 6 ILE HG2% 1.0 1.8 4.0 48 41 A 6 ILE HA A 7 LEU H 1.0 1.8 3.0 49 42 A 6 ILE HB A 7 LEU H 1.0 1.8 5.5 50 43 A 6 ILE HG2% A 7 LEU H 1.0 2.8 6.0 51 44 A 7 LEU H A 7 LEU HA 1.0 1.8 4.0 52 45 A 7 LEU H A 7 LEU HB2 1.0 1.8 3.0 53 45 A 7 LEU H A 7 LEU HB3 1.0 1.8 3.0 54 46 A 7 LEU H A 7 LEU HDx% 1.0 1.8 4.0 55 47 A 7 LEU HA A 8 ASN H 1.0 1.8 4.0 56 48 A 8 ASN H A 7 LEU HB2 1.0 1.8 4.0 57 48 A 7 LEU HB3 A 8 ASN H 1.0 1.8 4.0 58 49 A 7 LEU HDx% A 8 ASN H 1.0 1.8 4.0 59 50 A 8 ASN H A 8 ASN HA 1.0 1.8 4.0 60 51 A 8 ASN H A 8 ASN HB2 1.0 1.8 4.0 61 51 A 8 ASN H A 8 ASN HB3 1.0 1.8 4.0 62 52 A 8 ASN HA A 8 ASN HD2y 1.0 2.8 6.0 63 53 A 8 ASN HA A 8 ASN HD2x 1.0 2.8 6.0 64 54 A 8 ASN HD2y A 8 ASN HB2 1.0 1.8 4.0 65 54 A 8 ASN HB3 A 8 ASN HD2y 1.0 1.8 4.0 66 55 A 8 ASN HD2x A 8 ASN HB2 1.0 1.8 4.0 67 55 A 8 ASN HB3 A 8 ASN HD2x 1.0 1.8 4.0 68 56 A 8 ASN HA A 9 LEU H 1.0 1.8 4.0 69 57 A 9 LEU H A 8 ASN HB2 1.0 1.8 4.0 70 57 A 8 ASN HB3 A 9 LEU H 1.0 1.8 4.0 71 58 A 8 ASN H A 9 LEU H 1.0 1.8 4.0 72 59 A 9 LEU H A 9 LEU HA 1.0 1.8 4.0 73 60 A 9 LEU H A 9 LEU HBx 1.0 1.8 4.0 74 61 A 9 LEU H A 9 LEU HBy 1.0 1.8 4.0 75 62 A 9 LEU H A 9 LEU HDx% 1.0 1.8 4.0 76 63 A 9 LEU H A 9 LEU HDy% 1.0 1.8 5.5 77 64 A 9 LEU HBy A 10 LYS H 1.0 1.8 4.0 78 65 A 9 LEU HDx% A 10 LYS H 1.0 1.8 5.5 79 66 A 10 LYS H A 10 LYS HA 1.0 1.8 4.0 80 67 A 10 LYS H A 10 LYS HB2 1.0 1.8 3.0 81 67 A 10 LYS H A 10 LYS HB3 1.0 1.8 3.0 82 68 A 10 LYS H A 10 LYS HE2 1.0 2.8 6.0 83 68 A 10 LYS H A 10 LYS HE3 1.0 2.8 6.0 84 69 A 11 GLN H A 11 GLN HA 1.0 1.8 4.0 85 70 A 11 GLN H A 11 GLN HBx 1.0 1.8 4.0 86 71 A 11 GLN H A 11 GLN HBy 1.0 1.8 4.0 87 72 A 11 GLN H A 11 GLN HG2 1.0 2.8 6.0 88 72 A 11 GLN H A 11 GLN HG3 1.0 2.8 6.0 89 73 A 11 GLN H A 13 LYS H 1.0 1.8 4.0 90 74 A 11 GLN HA A 11 GLN HE2y 1.0 2.8 6.0 91 75 A 11 GLN HA A 11 GLN HE2x 1.0 2.8 6.0 92 76 A 11 GLN HBx A 11 GLN HE2y 1.0 1.8 5.5 93 77 A 11 GLN HBx A 11 GLN HE2x 1.0 2.8 6.0 94 78 A 11 GLN HE2y A 11 GLN HG2 1.0 1.8 4.0 95 78 A 11 GLN HG3 A 11 GLN HE2y 1.0 1.8 4.0 96 79 A 11 GLN HE2x A 11 GLN HG2 1.0 1.8 4.0 97 79 A 11 GLN HG3 A 11 GLN HE2x 1.0 1.8 4.0 98 80 A 11 GLN HBx A 12 ALA H 1.0 1.8 3.0 99 81 A 12 ALA H A 12 ALA HA 1.0 1.8 3.0 100 82 A 12 ALA H A 12 ALA HB% 1.0 1.8 3.0 101 83 A 9 LEU HBx A 13 LYS H 1.0 1.8 4.0 102 84 A 10 LYS HA A 13 LYS H 1.0 1.8 5.5 103 85 A 13 LYS H A 12 ALA HA 1.0 1.8 5.5 104 86 A 13 LYS H A 12 ALA HB% 1.0 1.8 4.0 105 87 A 13 LYS H A 13 LYS HA 1.0 1.8 4.0 106 88 A 13 LYS H A 13 LYS HB2 1.0 1.8 3.0 107 88 A 13 LYS H A 13 LYS HB3 1.0 1.8 3.0 108 89 A 13 LYS H A 14 GLU H 1.0 1.8 4.0 109 90 A 13 LYS H A 33 ILE HD1% 1.0 1.8 4.0 110 91 A 11 GLN HA A 14 GLU H 1.0 1.8 5.5 111 92 A 13 LYS HA A 14 GLU H 1.0 2.8 6.0 112 93 A 14 GLU H A 13 LYS HB2 1.0 1.8 5.5 113 93 A 13 LYS HB3 A 14 GLU H 1.0 1.8 5.5 114 94 A 14 GLU H A 14 GLU HA 1.0 1.8 4.0 115 95 A 14 GLU H A 14 GLU HB2 1.0 1.8 4.0 116 95 A 14 GLU H A 14 GLU HB3 1.0 1.8 4.0 117 96 A 14 GLU H A 14 GLU HG2 1.0 1.8 4.0 118 96 A 14 GLU H A 14 GLU HG3 1.0 1.8 4.0 119 97 A 14 GLU H A 15 GLU H 1.0 1.8 4.0 120 98 A 15 GLU H A 15 GLU HA 1.0 1.8 4.0 121 99 A 15 GLU H A 15 GLU HB2 1.0 1.8 4.0 122 99 A 15 GLU H A 15 GLU HB3 1.0 1.8 4.0 123 100 A 16 ALA H A 13 LYS HB2 1.0 1.8 5.5 124 100 A 13 LYS HB3 A 16 ALA H 1.0 1.8 5.5 125 101 A 14 GLU HA A 16 ALA H 1.0 1.8 5.5 126 102 A 16 ALA H A 15 GLU HB2 1.0 1.8 4.0 127 102 A 15 GLU HB3 A 16 ALA H 1.0 1.8 4.0 128 103 A 16 ALA H A 16 ALA HA 1.0 1.8 4.0 129 104 A 16 ALA H A 16 ALA HB% 1.0 1.8 3.0 130 105 A 33 ILE HD1% A 16 ALA H 1.0 1.8 4.0 131 106 A 14 GLU HA A 17 ILE H 1.0 2.8 6.0 132 107 A 16 ALA HA A 17 ILE H 1.0 1.8 5.5 133 108 A 16 ALA H A 17 ILE H 1.0 1.8 4.0 134 109 A 17 ILE H A 17 ILE HA 1.0 1.8 5.5 135 110 A 17 ILE H A 17 ILE HB 1.0 1.8 3.0 136 111 A 17 ILE H A 17 ILE HD1% 1.0 1.8 4.0 137 112 A 17 ILE H A 17 ILE HG12 1.0 1.8 5.5 138 112 A 17 ILE H A 17 ILE HG13 1.0 1.8 5.5 139 113 A 17 ILE H A 18 LYS H 1.0 1.8 5.5 140 114 A 17 ILE HD1% A 18 LYS H 1.0 1.8 4.0 141 115 A 17 ILE H A 18 LYS H 1.0 1.8 5.5 142 116 A 18 LYS H A 18 LYS HA 1.0 1.8 4.0 143 117 A 18 LYS H A 18 LYS HB2 1.0 1.8 3.0 144 117 A 18 LYS H A 18 LYS HB3 1.0 1.8 3.0 145 118 A 18 LYS H A 18 LYS HE2 1.0 2.8 6.0 146 118 A 18 LYS H A 18 LYS HE3 1.0 2.8 6.0 147 119 A 18 LYS H A 18 LYS HG2 1.0 1.8 4.0 148 119 A 18 LYS H A 18 LYS HG3 1.0 1.8 4.0 149 120 A 19 GLU H A 19 GLU HA 1.0 1.8 4.0 150 121 A 19 GLU H A 19 GLU HB2 1.0 1.8 3.0 151 121 A 19 GLU H A 19 GLU HB3 1.0 1.8 3.0 152 122 A 19 GLU H A 19 GLU HG2 1.0 1.8 4.0 153 122 A 19 GLU H A 19 GLU HG3 1.0 1.8 4.0 154 123 A 17 ILE HA A 20 LEU H 1.0 1.8 5.5 155 124 A 18 LYS H A 20 LEU H 1.0 1.8 4.0 156 125 A 20 LEU H A 20 LEU HA 1.0 1.8 3.0 157 126 A 20 LEU H A 20 LEU HBx 1.0 1.8 3.0 158 127 A 20 LEU H A 20 LEU HBy 1.0 1.8 3.0 159 128 A 20 LEU H A 20 LEU HDx% 1.0 1.8 3.0 160 129 A 20 LEU H A 20 LEU HG 1.0 2.8 5.0 161 130 A 20 LEU H A 21 VAL H 1.0 1.8 4.0 162 131 A 18 LYS H A 21 VAL H 1.0 2.8 6.0 163 132 A 20 LEU HA A 21 VAL H 1.0 2.8 6.0 164 133 A 21 VAL H A 21 VAL HA 1.0 1.8 5.5 165 134 A 21 VAL H A 21 VAL HB 1.0 1.8 4.0 166 135 A 21 VAL H A 21 VAL HGx% 1.0 1.8 4.0 167 136 A 21 VAL H A 22 ASP H 1.0 1.8 4.0 168 137 A 19 GLU HA A 22 ASP H 1.0 1.8 3.0 169 138 A 21 VAL HB A 22 ASP H 1.0 1.8 3.0 170 139 A 21 VAL H A 22 ASP H 1.0 1.8 4.0 171 140 A 22 ASP H A 22 ASP HA 1.0 1.8 4.0 172 141 A 22 ASP H A 22 ASP HB2 1.0 1.8 3.0 173 141 A 22 ASP H A 22 ASP HB3 1.0 1.8 3.0 174 142 A 22 ASP H A 23 ALA H 1.0 1.8 4.0 175 143 A 20 LEU HA A 23 ALA H 1.0 2.8 6.0 176 144 A 23 ALA H A 22 ASP HB2 1.0 1.8 5.5 177 144 A 22 ASP HB3 A 23 ALA H 1.0 1.8 5.5 178 145 A 22 ASP H A 23 ALA H 1.0 1.8 5.5 179 146 A 23 ALA H A 23 ALA HA 1.0 1.8 5.5 180 147 A 23 ALA H A 23 ALA HB% 1.0 1.8 4.0 181 148 A 23 ALA H A 24 GLY H 1.0 1.8 5.5 182 149 A 20 LEU HBx A 24 GLY H 1.0 2.8 6.0 183 150 A 20 LEU HBy A 24 GLY H 1.0 2.8 6.0 184 151 A 23 ALA HA A 24 GLY H 1.0 1.8 4.0 185 152 A 23 ALA HB% A 24 GLY H 1.0 1.8 4.0 186 153 A 23 ALA H A 24 GLY H 1.0 1.8 4.0 187 154 A 24 GLY H A 24 GLY HAx 1.0 1.8 3.0 188 155 A 24 GLY H A 24 GLY HAy 1.0 1.8 3.0 189 156 A 24 GLY H A 25 THR H 1.0 1.8 4.0 190 157 A 20 LEU HDx% A 25 THR H 1.0 1.8 5.5 191 158 A 24 GLY HAy A 25 THR H 1.0 1.8 4.0 192 159 A 24 GLY H A 25 THR H 1.0 1.8 4.0 193 160 A 25 THR H A 25 THR HA 1.0 1.8 3.0 194 161 A 25 THR H A 25 THR HB 1.0 1.8 4.0 195 162 A 25 THR H A 25 THR HG2% 1.0 1.8 4.0 196 163 A 25 THR H A 26 ALA H 1.0 1.8 5.5 197 164 A 25 THR HA A 26 ALA H 1.0 1.8 3.0 198 165 A 25 THR HB A 26 ALA H 1.0 2.8 6.0 199 166 A 25 THR H A 26 ALA H 1.0 2.8 6.0 200 167 A 26 ALA H A 26 ALA HA 1.0 1.8 5.5 201 168 A 26 ALA H A 26 ALA HB% 1.0 1.8 3.0 202 169 A 26 ALA H A 29 TYR H 1.0 1.8 5.5 203 170 A 26 ALA HA A 27 GLU H 1.0 1.8 3.0 204 171 A 26 ALA HB% A 27 GLU H 1.0 1.8 4.0 205 172 A 27 GLU H A 27 GLU HA 1.0 1.8 4.0 206 173 A 27 GLU H A 27 GLU HB2 1.0 1.8 4.0 207 173 A 27 GLU H A 27 GLU HB3 1.0 1.8 4.0 208 174 A 27 GLU H A 27 GLU HG2 1.0 1.8 5.5 209 174 A 27 GLU H A 27 GLU HG3 1.0 1.8 5.5 210 175 A 27 GLU H A 28 LYS H 1.0 1.8 5.5 211 176 A 28 LYS H A 28 LYS HA 1.0 1.8 4.0 212 177 A 28 LYS H A 28 LYS HB2 1.0 1.8 3.0 213 177 A 28 LYS H A 28 LYS HB3 1.0 1.8 3.0 214 178 A 28 LYS H A 28 LYS HD2 1.0 1.8 3.0 215 178 A 28 LYS H A 28 LYS HD3 1.0 1.8 3.0 216 179 A 29 TYR H A 28 LYS H 1.0 1.8 5.5 217 180 A 29 TYR H A 29 TYR HA 1.0 1.8 5.5 218 181 A 29 TYR H A 29 TYR HBx 1.0 2.8 6.0 219 182 A 29 TYR HBy A 29 TYR H 1.0 1.8 5.5 220 183 A 20 LEU HDx% A 30 ILE H 1.0 1.8 5.5 221 184 A 30 ILE H A 30 ILE HA 1.0 1.8 5.5 222 185 A 30 ILE H A 30 ILE HB 1.0 1.8 4.0 223 186 A 30 ILE H A 30 ILE HG12 1.0 1.8 4.0 224 186 A 30 ILE H A 30 ILE HG13 1.0 1.8 4.0 225 187 A 30 ILE H A 30 ILE HG2% 1.0 1.8 5.5 226 188 A 29 TYR HA A 31 LYS H 1.0 2.8 6.0 227 189 A 30 ILE HA A 31 LYS H 1.0 1.8 5.5 228 190 A 31 LYS H A 30 ILE HD1% 1.0 1.8 4.0 229 191 A 30 ILE H A 31 LYS H 1.0 1.8 4.0 230 192 A 31 LYS H A 31 LYS HA 1.0 1.8 4.0 231 193 A 31 LYS H A 31 LYS HBx 1.0 1.8 4.0 232 194 A 31 LYS H A 31 LYS HBy 1.0 1.8 4.0 233 195 A 31 LYS H A 31 LYS HG2 1.0 1.8 4.0 234 195 A 31 LYS H A 31 LYS HG3 1.0 1.8 4.0 235 196 A 31 LYS H A 32 LEU H 1.0 1.8 5.5 236 197 A 32 LEU H A 32 LEU HA 1.0 1.8 5.5 237 198 A 32 LEU H A 32 LEU HBx 1.0 1.8 4.0 238 199 A 32 LEU H A 32 LEU HBy 1.0 1.8 4.0 239 200 A 32 LEU H A 32 LEU HDx% 1.0 1.8 5.5 240 201 A 31 LYS H A 33 ILE H 1.0 1.8 5.5 241 202 A 32 LEU HA A 33 ILE H 1.0 2.8 6.0 242 203 A 33 ILE H A 33 ILE HA 1.0 1.8 5.5 243 204 A 33 ILE H A 33 ILE HB 1.0 1.8 4.0 244 205 A 33 ILE HD1% A 33 ILE H 1.0 1.8 5.5 245 206 A 33 ILE H A 33 ILE HG12 1.0 1.8 4.0 246 206 A 33 ILE H A 33 ILE HG13 1.0 1.8 4.0 247 207 A 34 ALA H A 34 ALA HA 1.0 1.8 4.0 248 208 A 34 ALA H A 34 ALA HB% 1.0 1.8 4.0 249 209 A 32 LEU HA A 35 ASN H 1.0 1.8 5.5 250 210 A 34 ALA HB% A 35 ASN H 1.0 1.8 5.5 251 211 A 34 ALA H A 35 ASN H 1.0 1.8 5.5 252 212 A 35 ASN H A 35 ASN HA 1.0 1.8 5.5 253 213 A 35 ASN H A 35 ASN HBx 1.0 1.8 5.5 254 214 A 35 ASN H A 35 ASN HBy 1.0 1.8 5.5 255 215 A 34 ALA HB% A 35 ASN HD2y 1.0 1.8 5.5 256 216 A 34 ALA HB% A 35 ASN HD2x 1.0 2.8 6.0 257 217 A 35 ASN HA A 35 ASN HD2y 1.0 1.8 5.5 258 218 A 35 ASN HA A 35 ASN HD2x 1.0 1.8 5.5 259 219 A 35 ASN HBx A 35 ASN HD2y 1.0 1.8 4.0 260 220 A 35 ASN HBx A 35 ASN HD2x 1.0 1.8 5.5 261 221 A 35 ASN HBy A 35 ASN HD2y 1.0 1.8 4.0 262 222 A 35 ASN HBy A 35 ASN HD2x 1.0 1.8 5.5 263 223 A 33 ILE HA A 36 ALA H 1.0 2.8 6.0 264 224 A 33 ILE HD1% A 36 ALA H 1.0 2.8 6.0 265 225 A 35 ASN HA A 36 ALA H 1.0 2.8 6.0 266 226 A 35 ASN HBy A 36 ALA H 1.0 2.8 6.0 267 227 A 36 ALA H A 36 ALA HA 1.0 1.8 5.5 268 228 A 36 ALA H A 36 ALA HB% 1.0 1.8 4.0 269 229 A 36 ALA H A 42 VAL HA 1.0 2.8 6.0 270 230 A 35 ASN HA A 37 LYS H 1.0 2.8 6.0 271 231 A 36 ALA H A 37 LYS H 1.0 1.8 5.5 272 232 A 37 LYS H A 37 LYS HA 1.0 1.8 4.0 273 233 A 37 LYS H A 37 LYS HBx 1.0 2.8 6.0 274 234 A 37 LYS H A 37 LYS HBy 1.0 2.8 6.0 275 235 A 37 LYS H A 37 LYS HG2 1.0 2.8 6.0 276 235 A 37 LYS H A 37 LYS HG3 1.0 2.8 6.0 277 236 A 9 LEU HDy% A 38 THR H 1.0 2.8 6.0 278 237 A 38 THR H A 38 THR HA 1.0 1.8 5.5 279 238 A 38 THR H A 38 THR HB 1.0 2.8 6.0 280 239 A 38 THR H A 38 THR HG2% 1.0 1.8 5.5 281 240 A 38 THR H A 39 VAL H 1.0 1.8 5.5 282 241 A 9 LEU HDx% A 39 VAL H 1.0 1.8 4.0 283 242 A 38 THR HA A 39 VAL H 1.0 1.8 4.0 284 243 A 39 VAL H A 39 VAL HA 1.0 1.8 5.5 285 244 A 38 THR HA A 40 GLU H 1.0 1.8 5.5 286 245 A 39 VAL HA A 40 GLU H 1.0 2.8 6.0 287 246 A 40 GLU H A 40 GLU HA 1.0 1.8 4.0 288 247 A 40 GLU H A 40 GLU HB2 1.0 1.8 3.0 289 247 A 40 GLU H A 40 GLU HB3 1.0 1.8 3.0 290 248 A 40 GLU H A 40 GLU HG2 1.0 1.8 5.5 291 248 A 40 GLU H A 40 GLU HG3 1.0 1.8 5.5 292 249 A 40 GLU H A 41 GLY H 1.0 1.8 4.0 293 250 A 40 GLU H A 42 VAL H 1.0 2.8 6.0 294 251 A 38 THR HA A 41 GLY H 1.0 1.8 5.5 295 252 A 38 THR HG2% A 41 GLY H 1.0 2.8 6.0 296 253 A 38 THR H A 41 GLY H 1.0 1.8 5.5 297 254 A 41 GLY H A 40 GLU HB2 1.0 1.8 4.0 298 254 A 40 GLU HB3 A 41 GLY H 1.0 1.8 4.0 299 255 A 41 GLY H A 40 GLU HG2 1.0 2.8 6.0 300 255 A 40 GLU HG3 A 41 GLY H 1.0 2.8 6.0 301 256 A 40 GLU H A 41 GLY H 1.0 1.8 4.0 302 257 A 41 GLY H A 41 GLY HAy 1.0 1.8 3.0 303 258 A 41 GLY H A 42 VAL H 1.0 1.8 4.0 304 259 A 36 ALA HB% A 42 VAL H 1.0 1.8 4.0 305 260 A 40 GLU H A 42 VAL H 1.0 1.8 5.5 306 261 A 42 VAL H A 41 GLY HAy 1.0 1.8 4.0 307 262 A 41 GLY H A 42 VAL H 1.0 1.8 4.0 308 263 A 42 VAL HA A 42 VAL H 1.0 1.8 4.0 309 264 A 42 VAL H A 42 VAL HB 1.0 1.8 3.0 310 265 A 42 VAL H A 42 VAL HGx% 1.0 1.8 4.0 311 266 A 42 VAL HB A 43 TRP H 1.0 1.8 5.5 312 267 A 42 VAL HGx% A 43 TRP H 1.0 1.8 5.5 313 268 A 43 TRP HA A 43 TRP H 1.0 2.8 6.0 314 269 A 43 TRP HBy A 43 TRP H 1.0 1.8 4.0 315 270 A 43 TRP HD1 A 43 TRP H 1.0 2.8 6.0 316 271 A 43 TRP H A 44 THR H 1.0 1.8 5.5 317 272 A 43 TRP HA A 43 TRP HE1 1.0 2.8 6.0 318 273 A 43 TRP HBy A 43 TRP HE1 1.0 2.8 6.0 319 274 A 43 TRP HD1 A 43 TRP HE1 1.0 1.8 3.0 320 275 A 43 TRP HE1 A 43 TRP HZ2 1.0 1.8 4.0 321 276 A 44 THR H A 40 GLU HB2 1.0 2.8 6.0 322 276 A 40 GLU HB3 A 44 THR H 1.0 2.8 6.0 323 277 A 41 GLY HAy A 44 THR H 1.0 1.8 5.5 324 278 A 43 TRP HBy A 44 THR H 1.0 1.8 4.0 325 279 A 43 TRP HD1 A 44 THR H 1.0 2.8 6.0 326 280 A 43 TRP H A 44 THR H 1.0 1.8 4.0 327 281 A 44 THR H A 44 THR HA 1.0 1.8 3.0 328 282 A 44 THR H A 44 THR HB 1.0 1.8 5.5 329 283 A 44 THR H A 44 THR HG2% 1.0 1.8 4.0 330 284 A 44 THR H A 45 LEU H 1.0 1.8 4.0 331 285 A 41 GLY HAy A 45 LEU H 1.0 1.8 5.5 332 286 A 42 VAL HA A 45 LEU H 1.0 2.8 6.0 333 287 A 43 TRP H A 45 LEU H 1.0 1.8 5.5 334 288 A 45 LEU H A 45 LEU HA 1.0 1.8 3.0 335 289 A 45 LEU H A 45 LEU HB2 1.0 1.8 4.0 336 289 A 45 LEU H A 45 LEU HB3 1.0 1.8 4.0 337 290 A 45 LEU H A 45 LEU HDx% 1.0 1.8 4.0 338 291 A 45 LEU H A 45 LEU HG 1.0 1.8 4.0 339 292 A 45 LEU H A 46 LYS H 1.0 1.8 4.0 340 293 A 33 ILE HB A 46 LYS H 1.0 1.8 5.5 341 294 A 33 ILE HD1% A 46 LYS H 1.0 2.3 6.0 342 295 A 46 LYS H A 33 ILE HG12 1.0 1.8 5.5 343 295 A 33 ILE HG13 A 46 LYS H 1.0 1.8 5.5 344 296 A 43 TRP HA A 46 LYS H 1.0 1.8 5.5 345 297 A 45 LEU HA A 46 LYS H 1.0 1.8 5.5 346 298 A 45 LEU H A 46 LYS H 1.0 1.8 4.0 347 299 A 46 LYS H A 46 LYS HA 1.0 1.8 5.5 348 300 A 46 LYS H A 46 LYS HB2 1.0 1.8 4.0 349 300 A 46 LYS H A 46 LYS HB3 1.0 1.8 4.0 350 301 A 46 LYS H A 47 ASP H 1.0 1.8 4.0 351 302 A 46 LYS H A 49 ILE HD1% 1.0 1.8 5.5 352 303 A 46 LYS H A 47 ASP H 1.0 1.8 5.5 353 304 A 47 ASP H A 47 ASP HA 1.0 1.8 5.5 354 305 A 47 ASP H A 47 ASP HB2 1.0 1.8 4.0 355 305 A 47 ASP H A 47 ASP HB3 1.0 1.8 4.0 356 306 A 45 LEU HA A 48 GLU H 1.0 1.8 5.5 357 307 A 46 LYS H A 48 GLU H 1.0 1.8 4.0 358 308 A 47 ASP HA A 48 GLU H 1.0 1.8 5.5 359 309 A 48 GLU H A 47 ASP HB2 1.0 1.8 4.0 360 309 A 47 ASP HB3 A 48 GLU H 1.0 1.8 4.0 361 310 A 48 GLU H A 48 GLU HA 1.0 1.8 4.0 362 311 A 48 GLU H A 48 GLU HB2 1.0 1.8 3.0 363 311 A 48 GLU H A 48 GLU HB3 1.0 1.8 3.0 364 312 A 48 GLU H A 48 GLU HG2 1.0 1.8 4.0 365 312 A 48 GLU H A 48 GLU HG3 1.0 1.8 4.0 366 313 A 48 GLU H A 49 ILE HB 1.0 1.8 5.5 367 314 A 48 GLU H A 50 LYS H 1.0 1.8 4.0 368 315 A 45 LEU HA A 49 ILE H 1.0 2.8 6.0 369 316 A 49 ILE H A 48 GLU HB2 1.0 1.8 4.0 370 316 A 48 GLU HB3 A 49 ILE H 1.0 1.8 4.0 371 317 A 48 GLU H A 49 ILE H 1.0 1.8 4.0 372 318 A 49 ILE H A 49 ILE HA 1.0 1.8 5.5 373 319 A 49 ILE HB A 49 ILE H 1.0 1.8 3.0 374 320 A 49 ILE HD1% A 49 ILE H 1.0 1.8 3.0 375 321 A 50 LYS H A 49 ILE H 1.0 1.8 4.0 376 322 A 50 LYS H A 49 ILE H 1.0 1.8 5.5 377 323 A 50 LYS H A 50 LYS HA 1.0 1.8 4.0 378 324 A 50 LYS H A 50 LYS HB2 1.0 1.8 3.0 379 324 A 50 LYS H A 50 LYS HB3 1.0 1.8 3.0 380 325 A 50 LYS H A 50 LYS HD2 1.0 1.8 3.0 381 325 A 50 LYS H A 50 LYS HD3 1.0 1.8 3.0 382 326 A 50 LYS H A 50 LYS HE2 1.0 2.8 6.0 383 326 A 50 LYS H A 50 LYS HE3 1.0 2.8 6.0 384 327 A 50 LYS H A 50 LYS HG2 1.0 1.8 4.0 385 327 A 50 LYS H A 50 LYS HG3 1.0 1.8 4.0 386 328 A 51 THR H A 50 LYS HB2 1.0 1.8 5.5 387 328 A 50 LYS HB3 A 51 THR H 1.0 1.8 5.5 388 329 A 51 THR H A 51 THR HA 1.0 1.8 4.0 389 330 A 51 THR H A 51 THR HB 1.0 1.8 5.5 390 331 A 51 THR H A 51 THR HG2% 1.0 1.8 5.5 391 332 A 51 THR HA A 52 PHE H 1.0 1.8 5.5 392 333 A 52 PHE HA A 52 PHE H 1.0 1.8 4.0 393 334 A 52 PHE HBx A 52 PHE H 1.0 1.8 4.0 394 335 A 52 PHE H A 53 THR H 1.0 1.8 5.5 395 336 A 52 PHE HA A 53 THR H 1.0 1.8 3.0 396 337 A 52 PHE HBx A 53 THR H 1.0 1.8 4.0 397 338 A 52 PHE HD% A 53 THR H 1.0 2.8 6.0 398 339 A 52 PHE H A 53 THR H 1.0 1.8 4.0 399 340 A 53 THR H A 53 THR HA 1.0 1.8 4.0 400 341 A 53 THR H A 53 THR HB 1.0 1.8 4.0 401 342 A 53 THR H A 53 THR HG2% 1.0 1.8 4.0 402 343 A 54 VAL H A 54 VAL HA 1.0 1.8 3.0 403 344 A 54 VAL H A 54 VAL HB 1.0 1.8 4.0 404 345 A 54 VAL H A 54 VAL HGx% 1.0 1.8 4.0 405 346 A 54 VAL HGx% A 55 THR H 1.0 1.8 5.5 406 347 A 55 THR H A 55 THR HA 1.0 1.8 3.0 407 348 A 55 THR H A 55 THR HG2% 1.0 1.8 5.5 408 349 A 56 GLU H A 56 GLU HA 1.0 1.8 4.0 409 350 A 56 GLU H A 56 GLU HB2 1.0 1.8 5.5 410 350 A 56 GLU H A 56 GLU HB3 1.0 1.8 5.5 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 THR HA A 2 THR HB 1.0 1.8 3.0 2 2 A 2 THR HA A 2 THR HG2% 1.0 1.8 5.5 3 3 A 2 THR HA A 2 THR HG2% 1.0 1.8 5.5 4 4 A 2 THR HB A 2 THR HG2% 1.0 1.8 4.0 5 5 A 3 TYR H A 3 TYR HA 1.0 2.8 6.0 6 6 A 3 TYR HA A 3 TYR HB2 1.0 1.8 4.0 7 6 A 3 TYR HB3 A 3 TYR HA 1.0 1.8 4.0 8 7 A 3 TYR HD% A 3 TYR HB2 1.0 1.8 4.0 9 7 A 3 TYR HB3 A 3 TYR HD% 1.0 1.8 4.0 10 8 A 3 TYR H A 3 TYR HB2 1.0 1.8 5.5 11 8 A 3 TYR HB3 A 3 TYR H 1.0 1.8 5.5 12 9 A 4 LYS H A 3 TYR HB2 1.0 1.8 5.5 13 9 A 3 TYR HB3 A 4 LYS H 1.0 1.8 5.5 14 10 A 3 TYR H A 4 LYS HA 1.0 1.8 5.5 15 11 A 4 LYS HA A 4 LYS HB2 1.0 1.8 4.0 16 11 A 4 LYS HA A 4 LYS HB3 1.0 1.8 4.0 17 12 A 4 LYS HA A 4 LYS HG2 1.0 1.8 4.0 18 12 A 4 LYS HA A 4 LYS HG3 1.0 1.8 4.0 19 13 A 4 LYS H A 4 LYS HA 1.0 1.8 4.0 20 14 A 4 LYS HA A 4 LYS HB2 1.0 1.8 5.5 21 14 A 4 LYS HA A 4 LYS HB3 1.0 1.8 5.5 22 15 A 4 LYS HB3 A 4 LYS HG2 1.0 1.8 4.0 23 15 A 4 LYS HG3 A 4 LYS HB2 1.0 1.8 4.0 24 15 A 4 LYS HB3 A 4 LYS HG3 1.0 1.8 4.0 25 15 A 4 LYS HB2 A 4 LYS HG2 1.0 1.8 4.0 26 16 A 4 LYS H A 4 LYS HB2 1.0 2.8 6.0 27 16 A 4 LYS H A 4 LYS HB3 1.0 2.8 6.0 28 17 A 4 LYS HA A 4 LYS HG2 1.0 2.8 6.0 29 17 A 4 LYS HA A 4 LYS HG3 1.0 2.8 6.0 30 18 A 4 LYS HB3 A 4 LYS HG2 1.0 1.8 4.0 31 18 A 4 LYS HG3 A 4 LYS HB2 1.0 1.8 4.0 32 18 A 4 LYS HB3 A 4 LYS HG3 1.0 1.8 4.0 33 18 A 4 LYS HB2 A 4 LYS HG2 1.0 1.8 4.0 34 19 A 4 LYS HE3 A 4 LYS HG2 1.0 2.8 6.0 35 19 A 4 LYS HE2 A 4 LYS HG2 1.0 2.8 6.0 36 19 A 4 LYS HG3 A 4 LYS HE2 1.0 2.8 6.0 37 19 A 4 LYS HE3 A 4 LYS HG3 1.0 2.8 6.0 38 20 A 4 LYS HA A 5 LEU HB2 1.0 1.8 4.0 39 20 A 4 LYS HA A 5 LEU HB3 1.0 1.8 4.0 40 21 A 5 LEU HA A 5 LEU HB2 1.0 1.8 4.0 41 21 A 5 LEU HA A 5 LEU HB3 1.0 1.8 4.0 42 22 A 5 LEU HDx% A 5 LEU HB2 1.0 1.8 3.0 43 22 A 5 LEU HB3 A 5 LEU HDx% 1.0 1.8 3.0 44 23 A 5 LEU H A 5 LEU HB2 1.0 1.8 4.0 45 23 A 5 LEU H A 5 LEU HB3 1.0 1.8 4.0 46 24 A 5 LEU HA A 5 LEU HDx% 1.0 1.8 4.0 47 25 A 5 LEU HDx% A 5 LEU HB2 1.0 1.8 3.0 48 25 A 5 LEU HB3 A 5 LEU HDx% 1.0 1.8 3.0 49 26 A 6 ILE HA A 6 ILE HB 1.0 1.8 5.5 50 27 A 6 ILE HA A 6 ILE HD1% 1.0 1.8 5.5 51 28 A 6 ILE HA A 6 ILE HG12 1.0 1.8 4.0 52 28 A 6 ILE HA A 6 ILE HG13 1.0 1.8 4.0 53 29 A 6 ILE HA A 6 ILE HG2% 1.0 1.8 5.5 54 30 A 6 ILE H A 6 ILE HA 1.0 1.8 3.0 55 31 A 6 ILE HA A 6 ILE HB 1.0 1.8 5.5 56 32 A 6 ILE HB A 6 ILE HD1% 1.0 1.8 3.0 57 33 A 6 ILE HB A 6 ILE HG12 1.0 1.8 5.5 58 33 A 6 ILE HB A 6 ILE HG13 1.0 1.8 5.5 59 34 A 6 ILE HB A 6 ILE HG2% 1.0 1.8 5.5 60 35 A 6 ILE H A 6 ILE HB 1.0 1.8 4.0 61 36 A 6 ILE HD1% A 6 ILE HG12 1.0 1.8 4.0 62 36 A 6 ILE HD1% A 6 ILE HG13 1.0 1.8 4.0 63 37 A 6 ILE HD1% A 6 ILE HG2% 1.0 1.8 4.0 64 38 A 6 ILE HA A 6 ILE HG12 1.0 1.8 5.5 65 38 A 6 ILE HA A 6 ILE HG13 1.0 1.8 5.5 66 39 A 6 ILE HB A 6 ILE HG12 1.0 1.8 5.5 67 39 A 6 ILE HB A 6 ILE HG13 1.0 1.8 5.5 68 40 A 6 ILE HD1% A 6 ILE HG12 1.0 1.8 3.0 69 40 A 6 ILE HD1% A 6 ILE HG13 1.0 1.8 3.0 70 41 A 6 ILE HG2% A 6 ILE HG12 1.0 1.8 3.0 71 41 A 6 ILE HG13 A 6 ILE HG2% 1.0 1.8 3.0 72 42 A 6 ILE H A 6 ILE HG12 1.0 1.8 5.5 73 42 A 6 ILE H A 6 ILE HG13 1.0 1.8 5.5 74 43 A 7 LEU HA A 7 LEU HB2 1.0 1.8 3.0 75 43 A 7 LEU HA A 7 LEU HB3 1.0 1.8 3.0 76 44 A 7 LEU HA A 7 LEU HDx% 1.0 1.8 4.0 77 45 A 7 LEU H A 7 LEU HA 1.0 1.8 4.0 78 46 A 7 LEU HA A 7 LEU HB2 1.0 1.8 5.5 79 46 A 7 LEU HA A 7 LEU HB3 1.0 1.8 5.5 80 47 A 7 LEU HDx% A 7 LEU HB2 1.0 1.8 3.0 81 47 A 7 LEU HB3 A 7 LEU HDx% 1.0 1.8 3.0 82 48 A 7 LEU H A 7 LEU HB2 1.0 1.8 5.5 83 48 A 7 LEU H A 7 LEU HB3 1.0 1.8 5.5 84 49 A 7 LEU HB2 A 8 ASN HB2 1.0 1.8 4.0 85 49 A 7 LEU HB3 A 8 ASN HB2 1.0 1.8 4.0 86 49 A 8 ASN HB3 A 7 LEU HB2 1.0 1.8 4.0 87 49 A 7 LEU HB3 A 8 ASN HB3 1.0 1.8 4.0 88 50 A 8 ASN HA A 8 ASN HB2 1.0 1.8 5.5 89 50 A 8 ASN HA A 8 ASN HB3 1.0 1.8 5.5 90 51 A 8 ASN H A 8 ASN HA 1.0 2.8 6.0 91 52 A 8 ASN HA A 9 LEU H 1.0 1.8 5.5 92 53 A 7 LEU HA A 8 ASN HB2 1.0 1.8 5.5 93 53 A 7 LEU HA A 8 ASN HB3 1.0 1.8 5.5 94 54 A 8 ASN HA A 8 ASN HB2 1.0 1.8 4.0 95 54 A 8 ASN HA A 8 ASN HB3 1.0 1.8 4.0 96 55 A 8 ASN H A 8 ASN HB2 1.0 2.8 6.0 97 55 A 8 ASN H A 8 ASN HB3 1.0 2.8 6.0 98 56 A 9 LEU HA A 9 LEU HBx 1.0 1.8 4.0 99 57 A 9 LEU HA A 9 LEU HBy 1.0 1.8 5.5 100 58 A 9 LEU HA A 9 LEU HDx% 1.0 1.8 4.0 101 59 A 9 LEU HA A 9 LEU HDy% 1.0 1.8 4.0 102 60 A 9 LEU H A 9 LEU HA 1.0 2.8 6.0 103 61 A 9 LEU HA A 10 LYS H 1.0 2.8 6.0 104 62 A 9 LEU HA A 11 GLN HBx 1.0 1.8 5.5 105 63 A 9 LEU HA A 39 VAL H 1.0 2.8 6.0 106 64 A 8 ASN H A 9 LEU HBy 1.0 2.8 6.0 107 65 A 9 LEU HA A 9 LEU HBx 1.0 1.8 5.5 108 66 A 9 LEU HA A 9 LEU HBy 1.0 1.8 5.5 109 67 A 9 LEU HBx A 9 LEU HBy 1.0 1.8 4.0 110 68 A 9 LEU HBx A 9 LEU HBy 1.0 1.8 3.0 111 69 A 9 LEU HBx A 9 LEU HDx% 1.0 1.8 4.0 112 70 A 9 LEU HBy A 9 LEU HDx% 1.0 1.8 4.0 113 71 A 9 LEU HBx A 9 LEU HDy% 1.0 1.8 5.5 114 72 A 9 LEU HBy A 9 LEU HDy% 1.0 1.8 5.5 115 73 A 9 LEU H A 9 LEU HBx 1.0 2.8 6.0 116 74 A 9 LEU H A 9 LEU HBy 1.0 2.3 5.5 117 75 A 9 LEU HBx A 10 LYS H 1.0 1.8 5.5 118 76 A 9 LEU HBx A 10 LYS H 1.0 1.8 5.5 119 77 A 10 LYS HA A 10 LYS HB2 1.0 1.8 4.0 120 77 A 10 LYS HA A 10 LYS HB3 1.0 1.8 4.0 121 78 A 10 LYS H A 10 LYS HA 1.0 1.8 5.5 122 79 A 9 LEU H A 10 LYS HB2 1.0 1.8 4.0 123 79 A 9 LEU H A 10 LYS HB3 1.0 1.8 4.0 124 80 A 10 LYS HA A 10 LYS HB2 1.0 1.8 4.0 125 80 A 10 LYS HA A 10 LYS HB3 1.0 1.8 4.0 126 81 A 10 LYS H A 10 LYS HB2 1.0 1.8 4.0 127 81 A 10 LYS H A 10 LYS HB3 1.0 1.8 4.0 128 82 A 11 GLN HA A 11 GLN HBy 1.0 1.8 3.0 129 83 A 11 GLN HA A 11 GLN HG2 1.0 1.8 4.0 130 83 A 11 GLN HA A 11 GLN HG3 1.0 1.8 4.0 131 84 A 11 GLN H A 11 GLN HA 1.0 1.8 4.0 132 85 A 11 GLN HA A 12 ALA H 1.0 1.8 4.0 133 86 A 9 LEU HA A 11 GLN HBx 1.0 1.8 5.5 134 87 A 9 LEU H A 11 GLN HBx 1.0 2.8 5.0 135 88 A 11 GLN HA A 11 GLN HBx 1.0 1.8 3.0 136 89 A 11 GLN HA A 11 GLN HBy 1.0 1.8 4.0 137 90 A 11 GLN HBy A 11 GLN HG2 1.0 1.8 4.0 138 90 A 11 GLN HBy A 11 GLN HG3 1.0 1.8 4.0 139 91 A 11 GLN H A 11 GLN HBx 1.0 1.8 5.5 140 92 A 11 GLN H A 11 GLN HBy 1.0 1.8 4.0 141 93 A 11 GLN HA A 11 GLN HG2 1.0 1.8 4.0 142 93 A 11 GLN HA A 11 GLN HG3 1.0 1.8 4.0 143 94 A 11 GLN HBy A 11 GLN HG2 1.0 1.8 3.0 144 94 A 11 GLN HBy A 11 GLN HG3 1.0 1.8 3.0 145 95 A 11 GLN H A 11 GLN HG2 1.0 2.8 6.0 146 95 A 11 GLN H A 11 GLN HG3 1.0 2.8 6.0 147 96 A 12 ALA H A 11 GLN HG2 1.0 1.8 4.0 148 96 A 11 GLN HG3 A 12 ALA H 1.0 1.8 4.0 149 97 A 12 ALA HA A 12 ALA HB% 1.0 1.8 4.0 150 98 A 12 ALA H A 12 ALA HA 1.0 1.8 4.0 151 99 A 12 ALA HA A 42 VAL HGx% 1.0 1.8 5.5 152 100 A 43 TRP HD1 A 12 ALA HA 1.0 2.8 6.0 153 101 A 9 LEU HA A 12 ALA HB% 1.0 1.8 5.5 154 102 A 12 ALA HA A 12 ALA HB% 1.0 1.8 4.0 155 103 A 12 ALA H A 12 ALA HB% 1.0 1.8 5.5 156 104 A 12 ALA HB% A 39 VAL HGx% 1.0 1.8 5.5 157 105 A 12 ALA HB% A 42 VAL HGx% 1.0 1.8 5.5 158 106 A 13 LYS HA A 13 LYS HB2 1.0 1.8 5.5 159 106 A 13 LYS HA A 13 LYS HB3 1.0 1.8 5.5 160 107 A 13 LYS HA A 15 GLU H 1.0 1.8 5.5 161 108 A 13 LYS HA A 16 ALA HB% 1.0 1.8 5.5 162 109 A 13 LYS HA A 33 ILE HD1% 1.0 1.8 5.5 163 110 A 13 LYS HA A 42 VAL HGx% 1.0 1.8 5.5 164 111 A 13 LYS H A 13 LYS HB2 1.0 2.8 6.0 165 111 A 13 LYS H A 13 LYS HB3 1.0 2.8 6.0 166 112 A 33 ILE HD1% A 13 LYS HB2 1.0 2.8 6.0 167 112 A 13 LYS HB3 A 33 ILE HD1% 1.0 2.8 6.0 168 113 A 14 GLU HA A 14 GLU HB2 1.0 1.8 3.0 169 113 A 14 GLU HA A 14 GLU HB3 1.0 1.8 3.0 170 114 A 14 GLU HA A 14 GLU HG2 1.0 1.8 4.0 171 114 A 14 GLU HA A 14 GLU HG3 1.0 1.8 4.0 172 115 A 14 GLU H A 14 GLU HA 1.0 1.8 5.5 173 116 A 14 GLU HA A 15 GLU H 1.0 1.8 5.5 174 117 A 14 GLU HA A 17 ILE H 1.0 1.8 5.5 175 118 A 14 GLU HA A 14 GLU HB2 1.0 1.8 4.0 176 118 A 14 GLU HA A 14 GLU HB3 1.0 1.8 4.0 177 119 A 14 GLU HB2 A 14 GLU HG2 1.0 1.8 3.0 178 119 A 14 GLU HB3 A 14 GLU HG2 1.0 1.8 3.0 179 119 A 14 GLU HG3 A 14 GLU HB2 1.0 1.8 3.0 180 119 A 14 GLU HB3 A 14 GLU HG3 1.0 1.8 3.0 181 120 A 14 GLU H A 14 GLU HB2 1.0 2.8 6.0 182 120 A 14 GLU H A 14 GLU HB3 1.0 2.8 6.0 183 121 A 14 GLU HA A 14 GLU HG2 1.0 1.8 5.5 184 121 A 14 GLU HA A 14 GLU HG3 1.0 1.8 5.5 185 122 A 14 GLU HB2 A 14 GLU HG2 1.0 1.8 3.0 186 122 A 14 GLU HB3 A 14 GLU HG2 1.0 1.8 3.0 187 122 A 14 GLU HG3 A 14 GLU HB2 1.0 1.8 3.0 188 122 A 14 GLU HB3 A 14 GLU HG3 1.0 1.8 3.0 189 123 A 14 GLU H A 14 GLU HG2 1.0 2.8 6.0 190 123 A 14 GLU H A 14 GLU HG3 1.0 2.8 6.0 191 124 A 15 GLU H A 14 GLU HG2 1.0 2.8 6.0 192 124 A 14 GLU HG3 A 15 GLU H 1.0 2.8 6.0 193 125 A 15 GLU HA A 15 GLU HB2 1.0 1.8 5.5 194 125 A 15 GLU HA A 15 GLU HB3 1.0 1.8 5.5 195 126 A 15 GLU H A 15 GLU HA 1.0 1.8 5.5 196 127 A 15 GLU HA A 15 GLU HB2 1.0 1.8 4.0 197 127 A 15 GLU HA A 15 GLU HB3 1.0 1.8 4.0 198 128 A 16 ALA HA A 16 ALA HB% 1.0 1.8 4.0 199 129 A 16 ALA H A 16 ALA HA 1.0 1.8 4.0 200 130 A 16 ALA HA A 17 ILE H 1.0 2.8 6.0 201 131 A 16 ALA HA A 18 LYS H 1.0 2.8 6.0 202 132 A 16 ALA HA A 19 GLU HB2 1.0 1.8 5.5 203 132 A 16 ALA HA A 19 GLU HB3 1.0 1.8 5.5 204 133 A 13 LYS HA A 16 ALA HB% 1.0 1.8 5.5 205 134 A 16 ALA HA A 16 ALA HB% 1.0 1.8 4.0 206 135 A 16 ALA H A 16 ALA HB% 1.0 1.8 4.0 207 136 A 16 ALA HB% A 17 ILE H 1.0 2.8 6.0 208 137 A 16 ALA HB% A 42 VAL HGx% 1.0 1.8 4.0 209 138 A 16 ALA HB% A 46 LYS HB2 1.0 3.3 6.5 210 138 A 16 ALA HB% A 46 LYS HB3 1.0 3.3 6.5 211 139 A 17 ILE HA A 17 ILE HB 1.0 1.8 5.5 212 140 A 17 ILE HA A 17 ILE HD1% 1.0 1.8 4.0 213 141 A 17 ILE HA A 17 ILE HG12 1.0 2.8 6.0 214 141 A 17 ILE HA A 17 ILE HG13 1.0 2.8 6.0 215 142 A 17 ILE H A 17 ILE HA 1.0 2.8 6.0 216 143 A 14 GLU HA A 17 ILE HB 1.0 1.8 5.5 217 144 A 16 ALA H A 17 ILE HB 1.0 2.8 6.0 218 145 A 17 ILE HA A 17 ILE HB 1.0 1.8 5.5 219 146 A 17 ILE HB A 17 ILE HD1% 1.0 1.8 4.0 220 147 A 17 ILE HB A 17 ILE HG12 1.0 2.8 6.0 221 147 A 17 ILE HB A 17 ILE HG13 1.0 2.8 6.0 222 148 A 17 ILE H A 17 ILE HB 1.0 2.8 6.0 223 149 A 17 ILE HB A 18 LYS H 1.0 1.8 5.5 224 150 A 18 LYS HA A 18 LYS HB2 1.0 1.8 4.0 225 150 A 18 LYS HA A 18 LYS HB3 1.0 1.8 4.0 226 151 A 18 LYS HA A 18 LYS HG2 1.0 1.8 5.5 227 151 A 18 LYS HA A 18 LYS HG3 1.0 1.8 5.5 228 152 A 18 LYS H A 18 LYS HA 1.0 2.8 6.0 229 153 A 17 ILE H A 18 LYS HB2 1.0 1.8 5.5 230 153 A 17 ILE H A 18 LYS HB3 1.0 1.8 5.5 231 154 A 18 LYS HA A 18 LYS HB2 1.0 1.8 4.0 232 154 A 18 LYS HA A 18 LYS HB3 1.0 1.8 4.0 233 155 A 18 LYS HB3 A 18 LYS HG2 1.0 1.8 3.0 234 155 A 18 LYS HB2 A 18 LYS HG2 1.0 1.8 3.0 235 155 A 18 LYS HG3 A 18 LYS HB2 1.0 1.8 3.0 236 155 A 18 LYS HB3 A 18 LYS HG3 1.0 1.8 3.0 237 156 A 18 LYS H A 18 LYS HB2 1.0 1.8 5.5 238 156 A 18 LYS H A 18 LYS HB3 1.0 1.8 5.5 239 157 A 18 LYS HB3 A 18 LYS HE2 1.0 1.8 5.5 240 157 A 18 LYS HB2 A 18 LYS HE2 1.0 1.8 5.5 241 157 A 18 LYS HE3 A 18 LYS HB2 1.0 1.8 5.5 242 157 A 18 LYS HB3 A 18 LYS HE3 1.0 1.8 5.5 243 158 A 18 LYS HE2 A 18 LYS HG2 1.0 1.8 3.0 244 158 A 18 LYS HE3 A 18 LYS HG2 1.0 1.8 3.0 245 158 A 18 LYS HG3 A 18 LYS HE2 1.0 1.8 3.0 246 158 A 18 LYS HE3 A 18 LYS HG3 1.0 1.8 3.0 247 159 A 18 LYS HA A 18 LYS HG2 1.0 1.8 5.5 248 159 A 18 LYS HA A 18 LYS HG3 1.0 1.8 5.5 249 160 A 18 LYS HE2 A 18 LYS HG2 1.0 1.8 5.5 250 160 A 18 LYS HE3 A 18 LYS HG2 1.0 1.8 5.5 251 160 A 18 LYS HG3 A 18 LYS HE2 1.0 1.8 5.5 252 160 A 18 LYS HE3 A 18 LYS HG3 1.0 1.8 5.5 253 161 A 19 GLU HA A 18 LYS HG2 1.0 1.8 4.0 254 161 A 18 LYS HG3 A 19 GLU HA 1.0 1.8 4.0 255 162 A 18 LYS H A 19 GLU HA 1.0 1.8 5.5 256 163 A 19 GLU HA A 19 GLU HB2 1.0 1.8 3.0 257 163 A 19 GLU HA A 19 GLU HB3 1.0 1.8 3.0 258 164 A 19 GLU HA A 19 GLU HG2 1.0 1.8 5.5 259 164 A 19 GLU HA A 19 GLU HG3 1.0 1.8 5.5 260 165 A 19 GLU H A 19 GLU HA 1.0 1.8 4.0 261 166 A 19 GLU HA A 19 GLU HB2 1.0 1.8 5.5 262 166 A 19 GLU HA A 19 GLU HB3 1.0 1.8 5.5 263 167 A 19 GLU H A 19 GLU HB2 1.0 2.8 6.0 264 167 A 19 GLU H A 19 GLU HB3 1.0 2.8 6.0 265 168 A 20 LEU HA A 20 LEU HBy 1.0 1.8 4.0 266 169 A 20 LEU HA A 20 LEU HDx% 1.0 1.8 3.0 267 170 A 20 LEU HA A 20 LEU HG 1.0 1.8 4.0 268 171 A 20 LEU H A 20 LEU HA 1.0 1.8 4.0 269 172 A 20 LEU HA A 23 ALA HB% 1.0 1.8 4.0 270 173 A 20 LEU HA A 24 GLY H 1.0 1.8 4.0 271 174 A 17 ILE HA A 20 LEU HBy 1.0 2.8 6.0 272 175 A 20 LEU HA A 20 LEU HBx 1.0 1.8 5.5 273 176 A 20 LEU HA A 20 LEU HBy 1.0 2.8 6.0 274 177 A 20 LEU HBx A 20 LEU HBy 1.0 1.8 4.0 275 178 A 20 LEU HBx A 20 LEU HDx% 1.0 1.8 4.0 276 179 A 20 LEU HBy A 20 LEU HDx% 1.0 1.8 4.0 277 180 A 20 LEU HBx A 20 LEU HG 1.0 2.8 6.0 278 181 A 20 LEU HBy A 20 LEU HG 1.0 1.8 4.0 279 182 A 20 LEU H A 20 LEU HBy 1.0 1.8 5.5 280 183 A 20 LEU H A 21 VAL HA 1.0 2.8 6.0 281 184 A 21 VAL HA A 21 VAL HB 1.0 1.8 5.5 282 185 A 21 VAL HA A 21 VAL HGx% 1.0 1.8 4.0 283 186 A 21 VAL H A 21 VAL HA 1.0 1.8 5.5 284 187 A 21 VAL HA A 22 ASP H 1.0 1.8 5.5 285 188 A 21 VAL HA A 21 VAL HB 1.0 1.8 4.0 286 189 A 21 VAL HB A 21 VAL HGx% 1.0 1.8 4.0 287 190 A 21 VAL H A 21 VAL HB 1.0 2.8 6.0 288 191 A 21 VAL HB A 22 ASP H 1.0 1.8 4.0 289 192 A 22 ASP HA A 22 ASP HB2 1.0 1.8 3.0 290 192 A 22 ASP HA A 22 ASP HB3 1.0 1.8 3.0 291 193 A 22 ASP H A 22 ASP HA 1.0 1.8 4.0 292 194 A 22 ASP HA A 22 ASP HB2 1.0 1.8 4.0 293 194 A 22 ASP HA A 22 ASP HB3 1.0 1.8 4.0 294 195 A 23 ALA HA A 23 ALA HB% 1.0 1.8 3.0 295 196 A 23 ALA H A 23 ALA HA 1.0 1.8 4.0 296 197 A 23 ALA HA A 24 GLY H 1.0 1.8 5.5 297 198 A 23 ALA HA A 23 ALA HB% 1.0 1.8 3.0 298 199 A 23 ALA H A 23 ALA HB% 1.0 1.8 4.0 299 200 A 23 ALA H A 24 GLY HAy 1.0 2.8 6.0 300 201 A 24 GLY HAx A 24 GLY HAy 1.0 1.8 3.0 301 202 A 24 GLY HAx A 24 GLY HAy 1.0 1.8 3.0 302 203 A 24 GLY H A 24 GLY HAx 1.0 1.8 4.0 303 204 A 24 GLY H A 24 GLY HAy 1.0 1.8 4.0 304 205 A 24 GLY HAx A 25 THR H 1.0 1.8 5.5 305 206 A 24 GLY HAy A 25 THR H 1.0 1.8 5.5 306 207 A 20 LEU HG A 25 THR HA 1.0 1.8 5.5 307 208 A 25 THR HA A 25 THR HB 1.0 1.8 5.5 308 209 A 25 THR HA A 25 THR HG2% 1.0 1.8 4.0 309 210 A 25 THR H A 25 THR HA 1.0 1.8 5.5 310 211 A 25 THR HA A 26 ALA H 1.0 1.8 4.0 311 212 A 20 LEU HDx% A 25 THR HB 1.0 1.8 5.5 312 213 A 25 THR HB A 25 THR HG2% 1.0 1.8 5.5 313 214 A 25 THR H A 25 THR HB 1.0 2.8 6.0 314 215 A 25 THR HA A 25 THR HG2% 1.0 1.8 4.0 315 216 A 25 THR HB A 25 THR HG2% 1.0 1.8 5.5 316 217 A 25 THR HG2% A 26 ALA H 1.0 2.8 6.0 317 218 A 25 THR HG2% A 29 TYR HBx 1.0 2.8 6.0 318 219 A 29 TYR HBy A 25 THR HG2% 1.0 1.8 5.5 319 220 A 25 THR HG2% A 29 TYR H 1.0 1.8 5.5 320 221 A 26 ALA HA A 26 ALA HB% 1.0 1.8 3.0 321 222 A 26 ALA H A 26 ALA HA 1.0 1.8 3.0 322 223 A 26 ALA HA A 27 GLU HA 1.0 1.8 5.5 323 224 A 26 ALA HA A 27 GLU H 1.0 1.8 3.0 324 225 A 25 THR HA A 26 ALA HB% 1.0 2.8 5.0 325 226 A 26 ALA HA A 26 ALA HB% 1.0 1.8 4.0 326 227 A 26 ALA H A 26 ALA HB% 1.0 1.8 4.0 327 228 A 26 ALA HB% A 28 LYS H 1.0 1.8 5.5 328 229 A 26 ALA HB% A 29 TYR H 1.0 1.8 5.5 329 230 A 20 LEU HDx% A 27 GLU HA 1.0 1.8 3.0 330 231 A 27 GLU HA A 27 GLU HB2 1.0 1.8 4.0 331 231 A 27 GLU HA A 27 GLU HB3 1.0 1.8 4.0 332 232 A 27 GLU HA A 27 GLU HG2 1.0 1.8 4.0 333 232 A 27 GLU HA A 27 GLU HG3 1.0 1.8 4.0 334 233 A 27 GLU H A 27 GLU HA 1.0 1.8 5.5 335 234 A 27 GLU HA A 28 LYS H 1.0 1.8 5.5 336 235 A 27 GLU HA A 27 GLU HB2 1.0 1.8 4.0 337 235 A 27 GLU HA A 27 GLU HB3 1.0 1.8 4.0 338 236 A 27 GLU HB2 A 27 GLU HG2 1.0 1.8 3.0 339 236 A 27 GLU HB3 A 27 GLU HG2 1.0 1.8 3.0 340 236 A 27 GLU HG3 A 27 GLU HB2 1.0 1.8 3.0 341 236 A 27 GLU HB3 A 27 GLU HG3 1.0 1.8 3.0 342 237 A 27 GLU H A 27 GLU HB2 1.0 2.8 6.0 343 237 A 27 GLU H A 27 GLU HB3 1.0 2.8 6.0 344 238 A 27 GLU HA A 27 GLU HG2 1.0 1.8 5.5 345 238 A 27 GLU HA A 27 GLU HG3 1.0 1.8 5.5 346 239 A 27 GLU HB2 A 27 GLU HG2 1.0 1.8 3.0 347 239 A 27 GLU HB3 A 27 GLU HG2 1.0 1.8 3.0 348 239 A 27 GLU HG3 A 27 GLU HB2 1.0 1.8 3.0 349 239 A 27 GLU HB3 A 27 GLU HG3 1.0 1.8 3.0 350 240 A 28 LYS H A 28 LYS HA 1.0 1.8 5.5 351 241 A 29 TYR HA A 29 TYR HBx 1.0 2.8 6.0 352 242 A 29 TYR HBy A 29 TYR HA 1.0 2.8 6.0 353 243 A 29 TYR H A 29 TYR HA 1.0 2.8 6.0 354 244 A 26 ALA HB% A 29 TYR HBx 1.0 1.8 5.5 355 245 A 29 TYR HBy A 26 ALA HB% 1.0 1.8 4.0 356 246 A 29 TYR HA A 29 TYR HBx 1.0 1.8 5.5 357 247 A 29 TYR HBy A 29 TYR HA 1.0 1.8 4.0 358 248 A 29 TYR HBy A 29 TYR HBx 1.0 1.8 4.0 359 249 A 29 TYR HBy A 29 TYR HBx 1.0 1.8 4.0 360 250 A 29 TYR HD% A 29 TYR HBx 1.0 2.8 6.0 361 251 A 29 TYR HD% A 29 TYR HBy 1.0 1.8 5.5 362 252 A 29 TYR H A 29 TYR HBx 1.0 1.8 5.5 363 253 A 29 TYR HBy A 29 TYR H 1.0 1.8 5.5 364 254 A 29 TYR HBx A 30 ILE HB 1.0 2.8 6.0 365 255 A 29 TYR HBx A 49 ILE HD1% 1.0 1.8 4.0 366 256 A 29 TYR HBy A 49 ILE HD1% 1.0 1.8 4.0 367 257 A 30 ILE HA A 30 ILE HB 1.0 1.8 5.5 368 258 A 30 ILE HA A 30 ILE HD1% 1.0 1.8 4.0 369 259 A 30 ILE HA A 30 ILE HG12 1.0 2.8 6.0 370 259 A 30 ILE HA A 30 ILE HG13 1.0 2.8 6.0 371 260 A 30 ILE HA A 30 ILE HG2% 1.0 2.8 6.0 372 261 A 30 ILE H A 30 ILE HA 1.0 1.8 5.5 373 262 A 30 ILE HA A 31 LYS H 1.0 2.8 6.0 374 263 A 27 GLU HA A 30 ILE HB 1.0 1.8 4.0 375 264 A 30 ILE HA A 30 ILE HB 1.0 1.8 5.5 376 265 A 30 ILE HB A 30 ILE HD1% 1.0 1.8 4.0 377 266 A 30 ILE HB A 30 ILE HG12 1.0 1.8 5.5 378 266 A 30 ILE HB A 30 ILE HG13 1.0 1.8 5.5 379 267 A 30 ILE HB A 30 ILE HG2% 1.0 1.8 4.0 380 268 A 30 ILE H A 30 ILE HB 1.0 1.8 5.5 381 269 A 30 ILE HB A 31 LYS H 1.0 1.8 5.5 382 270 A 30 ILE HA A 30 ILE HD1% 1.0 1.8 4.0 383 271 A 30 ILE HB A 30 ILE HD1% 1.0 1.8 4.0 384 272 A 30 ILE HD1% A 30 ILE HG12 1.0 1.8 4.0 385 272 A 30 ILE HG13 A 30 ILE HD1% 1.0 1.8 4.0 386 273 A 30 ILE HA A 30 ILE HG12 1.0 1.8 5.5 387 273 A 30 ILE HA A 30 ILE HG13 1.0 1.8 5.5 388 274 A 30 ILE H A 30 ILE HG12 1.0 1.8 5.5 389 274 A 30 ILE H A 30 ILE HG13 1.0 1.8 5.5 390 275 A 31 LYS HA A 31 LYS HBx 1.0 1.8 3.0 391 276 A 31 LYS HA A 31 LYS HBy 1.0 1.8 3.0 392 277 A 31 LYS HA A 31 LYS HG2 1.0 1.8 5.5 393 277 A 31 LYS HA A 31 LYS HG3 1.0 1.8 5.5 394 278 A 31 LYS H A 31 LYS HA 1.0 1.8 5.5 395 279 A 28 LYS H A 31 LYS HBx 1.0 1.8 5.5 396 280 A 28 LYS H A 31 LYS HBy 1.0 1.8 5.5 397 281 A 31 LYS HA A 31 LYS HBx 1.0 1.8 4.0 398 282 A 31 LYS HA A 31 LYS HBy 1.0 1.8 4.0 399 283 A 31 LYS HBx A 31 LYS HBy 1.0 1.8 4.0 400 284 A 31 LYS HBx A 31 LYS HBy 1.0 1.8 3.0 401 285 A 32 LEU HA A 32 LEU HBy 1.0 1.8 5.5 402 286 A 32 LEU HA A 32 LEU HBx 1.0 2.8 6.0 403 287 A 32 LEU HA A 32 LEU HBy 1.0 2.8 6.0 404 288 A 32 LEU HBx A 32 LEU HBy 1.0 1.8 3.0 405 289 A 32 LEU HBx A 32 LEU HDx% 1.0 1.8 5.5 406 290 A 32 LEU HBy A 32 LEU HDx% 1.0 1.8 5.5 407 291 A 32 LEU H A 32 LEU HBx 1.0 1.8 5.5 408 292 A 32 LEU H A 32 LEU HBy 1.0 1.8 5.5 409 293 A 33 ILE HA A 33 ILE HB 1.0 1.8 5.5 410 294 A 33 ILE HA A 33 ILE HG12 1.0 1.8 4.0 411 294 A 33 ILE HA A 33 ILE HG13 1.0 1.8 4.0 412 295 A 33 ILE H A 33 ILE HA 1.0 1.8 5.5 413 296 A 33 ILE HA A 42 VAL HA 1.0 2.8 6.0 414 297 A 33 ILE HA A 42 VAL HGx% 1.0 1.8 4.0 415 298 A 33 ILE HA A 42 VAL H 1.0 2.8 6.0 416 299 A 33 ILE HA A 33 ILE HB 1.0 1.8 5.5 417 300 A 33 ILE HD1% A 33 ILE HB 1.0 1.8 4.0 418 301 A 33 ILE HB A 33 ILE HG12 1.0 1.8 5.5 419 301 A 33 ILE HB A 33 ILE HG13 1.0 1.8 5.5 420 302 A 33 ILE H A 33 ILE HB 1.0 2.8 6.0 421 303 A 33 ILE HB A 42 VAL H 1.0 1.8 5.5 422 304 A 13 LYS HA A 34 ALA HA 1.0 1.8 5.5 423 305 A 34 ALA HA A 13 LYS HB2 1.0 1.8 5.5 424 305 A 13 LYS HB3 A 34 ALA HA 1.0 1.8 5.5 425 306 A 34 ALA HA A 34 ALA HB% 1.0 1.8 4.0 426 307 A 34 ALA H A 34 ALA HA 1.0 1.8 5.5 427 308 A 34 ALA HA A 36 ALA H 1.0 2.8 6.0 428 309 A 33 ILE H A 34 ALA HB% 1.0 1.8 5.5 429 310 A 34 ALA HA A 34 ALA HB% 1.0 1.8 3.0 430 311 A 34 ALA H A 34 ALA HB% 1.0 1.8 4.0 431 312 A 35 ASN HA A 35 ASN HBx 1.0 2.8 6.0 432 313 A 34 ALA HB% A 35 ASN HBy 1.0 1.8 5.5 433 314 A 34 ALA H A 35 ASN HBy 1.0 1.8 5.5 434 315 A 35 ASN HA A 35 ASN HBx 1.0 1.8 5.5 435 316 A 35 ASN HA A 35 ASN HBy 1.0 1.8 4.0 436 317 A 35 ASN HBx A 35 ASN HBy 1.0 1.8 3.0 437 318 A 35 ASN HBx A 35 ASN HBy 1.0 1.8 3.0 438 319 A 35 ASN H A 35 ASN HBx 1.0 1.8 5.5 439 320 A 35 ASN H A 35 ASN HBy 1.0 1.8 5.5 440 321 A 36 ALA HA A 36 ALA HB% 1.0 1.8 3.0 441 322 A 36 ALA H A 36 ALA HA 1.0 1.8 5.5 442 323 A 36 ALA HA A 37 LYS H 1.0 1.8 4.0 443 324 A 36 ALA HA A 42 VAL HGx% 1.0 1.8 5.5 444 325 A 33 ILE HA A 36 ALA HB% 1.0 1.8 5.5 445 326 A 36 ALA HA A 36 ALA HB% 1.0 1.8 4.0 446 327 A 36 ALA H A 36 ALA HB% 1.0 1.8 5.5 447 328 A 36 ALA HB% A 42 VAL HA 1.0 1.8 5.5 448 329 A 37 LYS HA A 37 LYS HBx 1.0 1.8 5.5 449 330 A 37 LYS HA A 37 LYS HBy 1.0 1.8 5.5 450 331 A 37 LYS HBx A 37 LYS HBy 1.0 1.8 3.0 451 332 A 37 LYS HBx A 37 LYS HBy 1.0 1.8 5.5 452 333 A 37 LYS HBx A 37 LYS HG2 1.0 2.8 6.0 453 333 A 37 LYS HBx A 37 LYS HG3 1.0 2.8 6.0 454 334 A 37 LYS HBy A 37 LYS HG2 1.0 1.8 5.5 455 334 A 37 LYS HBy A 37 LYS HG3 1.0 1.8 5.5 456 335 A 38 THR HB A 38 THR HG2% 1.0 1.8 4.0 457 336 A 9 LEU HBx A 39 VAL HA 1.0 1.8 5.5 458 337 A 9 LEU HDx% A 39 VAL HA 1.0 1.8 5.5 459 338 A 9 LEU HDy% A 39 VAL HA 1.0 1.8 5.5 460 339 A 39 VAL H A 39 VAL HA 1.0 2.8 6.0 461 340 A 40 GLU HA A 40 GLU HB2 1.0 1.8 3.0 462 340 A 40 GLU HA A 40 GLU HB3 1.0 1.8 3.0 463 341 A 40 GLU HA A 40 GLU HG2 1.0 1.8 4.0 464 341 A 40 GLU HA A 40 GLU HG3 1.0 1.8 4.0 465 342 A 40 GLU H A 40 GLU HA 1.0 1.8 5.5 466 343 A 40 GLU HA A 42 VAL H 1.0 1.8 4.0 467 344 A 40 GLU HA A 40 GLU HB2 1.0 1.8 4.0 468 344 A 40 GLU HA A 40 GLU HB3 1.0 1.8 4.0 469 345 A 40 GLU HB3 A 40 GLU HG2 1.0 1.8 3.0 470 345 A 40 GLU HG3 A 40 GLU HB2 1.0 1.8 3.0 471 345 A 40 GLU HB3 A 40 GLU HG3 1.0 1.8 3.0 472 345 A 40 GLU HB2 A 40 GLU HG2 1.0 1.8 3.0 473 346 A 40 GLU H A 40 GLU HB2 1.0 1.8 4.0 474 346 A 40 GLU H A 40 GLU HB3 1.0 1.8 4.0 475 347 A 40 GLU HA A 40 GLU HG2 1.0 1.8 5.5 476 347 A 40 GLU HA A 40 GLU HG3 1.0 1.8 5.5 477 348 A 40 GLU HB3 A 40 GLU HG2 1.0 1.8 3.0 478 348 A 40 GLU HG3 A 40 GLU HB2 1.0 1.8 3.0 479 348 A 40 GLU HB3 A 40 GLU HG3 1.0 1.8 3.0 480 348 A 40 GLU HB2 A 40 GLU HG2 1.0 1.8 3.0 481 349 A 40 GLU H A 40 GLU HG2 1.0 2.8 6.0 482 349 A 40 GLU H A 40 GLU HG3 1.0 2.8 6.0 483 350 A 36 ALA HB% A 41 GLY HAy 1.0 1.8 5.5 484 351 A 41 GLY HAy A 40 GLU HB2 1.0 2.8 6.0 485 351 A 40 GLU HB3 A 41 GLY HAy 1.0 2.8 6.0 486 352 A 41 GLY HAy A 40 GLU HG2 1.0 2.8 6.0 487 352 A 40 GLU HG3 A 41 GLY HAy 1.0 2.8 6.0 488 353 A 41 GLY H A 41 GLY HAx 1.0 1.8 4.0 489 354 A 41 GLY H A 41 GLY HAy 1.0 1.8 4.0 490 355 A 42 VAL H A 41 GLY HAy 1.0 1.8 5.5 491 356 A 41 GLY HAy A 44 THR H 1.0 2.8 6.0 492 357 A 41 GLY HAy A 45 LEU HDx% 1.0 2.8 6.0 493 358 A 12 ALA HB% A 42 VAL HA 1.0 2.8 6.0 494 359 A 42 VAL HA A 42 VAL HB 1.0 2.8 6.0 495 360 A 42 VAL HA A 42 VAL HGx% 1.0 2.8 6.0 496 361 A 42 VAL HA A 42 VAL H 1.0 1.8 5.5 497 362 A 42 VAL HA A 45 LEU HB2 1.0 2.8 6.0 498 362 A 42 VAL HA A 45 LEU HB3 1.0 2.8 6.0 499 363 A 12 ALA HB% A 42 VAL HB 1.0 1.8 5.5 500 364 A 42 VAL HA A 42 VAL HB 1.0 2.8 6.0 501 365 A 42 VAL HB A 42 VAL HGx% 1.0 1.8 4.0 502 366 A 42 VAL H A 42 VAL HB 1.0 1.8 4.0 503 367 A 43 TRP HA A 43 TRP HBy 1.0 1.8 4.0 504 368 A 43 TRP HD1 A 43 TRP HA 1.0 1.8 5.5 505 369 A 43 TRP HA A 43 TRP H 1.0 2.8 6.0 506 370 A 43 TRP HA A 43 TRP HBx 1.0 1.8 5.5 507 371 A 43 TRP HA A 43 TRP HBy 1.0 1.8 5.5 508 372 A 43 TRP HD1 A 43 TRP HBx 1.0 1.8 5.5 509 373 A 43 TRP HD1 A 43 TRP HBy 1.0 1.8 5.5 510 374 A 43 TRP HE3 A 43 TRP HBx 1.0 2.8 6.0 511 375 A 43 TRP HBy A 43 TRP HE3 1.0 2.8 6.0 512 376 A 43 TRP H A 43 TRP HBx 1.0 1.8 5.5 513 377 A 43 TRP HBy A 43 TRP H 1.0 1.8 5.5 514 378 A 44 THR H A 43 TRP HBx 1.0 2.8 6.0 515 379 A 43 TRP HBy A 44 THR H 1.0 2.8 6.0 516 380 A 43 TRP H A 44 THR HA 1.0 2.8 6.0 517 381 A 44 THR HA A 44 THR HG2% 1.0 1.8 5.5 518 382 A 44 THR H A 44 THR HA 1.0 1.8 5.5 519 383 A 44 THR HA A 45 LEU H 1.0 2.8 6.0 520 384 A 44 THR HA A 47 ASP HB2 1.0 1.8 5.5 521 384 A 44 THR HA A 47 ASP HB3 1.0 1.8 5.5 522 385 A 44 THR HA A 48 GLU HB2 1.0 2.8 6.0 523 385 A 44 THR HA A 48 GLU HB3 1.0 2.8 6.0 524 386 A 44 THR HA A 44 THR HB 1.0 1.8 5.5 525 387 A 44 THR HB A 44 THR HG2% 1.0 1.8 5.5 526 388 A 32 LEU HBx A 45 LEU HA 1.0 1.8 5.5 527 389 A 45 LEU HA A 45 LEU HB2 1.0 1.8 4.0 528 389 A 45 LEU HA A 45 LEU HB3 1.0 1.8 4.0 529 390 A 45 LEU HA A 45 LEU HDx% 1.0 1.8 3.0 530 391 A 45 LEU HA A 45 LEU HG 1.0 1.8 4.0 531 392 A 45 LEU H A 45 LEU HA 1.0 1.8 4.0 532 393 A 45 LEU HA A 46 LYS H 1.0 1.8 5.5 533 394 A 45 LEU HA A 45 LEU HB2 1.0 1.8 4.0 534 394 A 45 LEU HA A 45 LEU HB3 1.0 1.8 4.0 535 395 A 45 LEU HDx% A 45 LEU HB2 1.0 1.8 4.0 536 395 A 45 LEU HB3 A 45 LEU HDx% 1.0 1.8 4.0 537 396 A 45 LEU HG A 45 LEU HB2 1.0 1.8 4.0 538 396 A 45 LEU HB3 A 45 LEU HG 1.0 1.8 4.0 539 397 A 45 LEU H A 45 LEU HB2 1.0 2.8 6.0 540 397 A 45 LEU H A 45 LEU HB3 1.0 2.8 6.0 541 398 A 46 LYS H A 45 LEU HB2 1.0 2.8 6.0 542 398 A 45 LEU HB3 A 46 LYS H 1.0 2.8 6.0 543 399 A 45 LEU HG A 45 LEU HB2 1.0 1.8 4.0 544 399 A 45 LEU HB3 A 45 LEU HG 1.0 1.8 4.0 545 400 A 45 LEU HDx% A 45 LEU HG 1.0 1.8 3.0 546 401 A 45 LEU H A 45 LEU HG 1.0 2.8 6.0 547 402 A 20 LEU HDx% A 46 LYS HA 1.0 2.8 6.0 548 403 A 33 ILE HB A 46 LYS HA 1.0 2.8 6.0 549 404 A 46 LYS HA A 46 LYS HB2 1.0 1.8 5.5 550 404 A 46 LYS HA A 46 LYS HB3 1.0 1.8 5.5 551 405 A 46 LYS HA A 46 LYS HG2 1.0 2.8 6.0 552 405 A 46 LYS HA A 46 LYS HG3 1.0 2.8 6.0 553 406 A 46 LYS H A 46 LYS HA 1.0 1.8 5.5 554 407 A 46 LYS HA A 47 ASP H 1.0 2.8 6.0 555 408 A 46 LYS HA A 46 LYS HB2 1.0 1.8 5.5 556 408 A 46 LYS HA A 46 LYS HB3 1.0 1.8 5.5 557 409 A 46 LYS HB2 A 46 LYS HG2 1.0 1.8 3.0 558 409 A 46 LYS HB3 A 46 LYS HG2 1.0 1.8 3.0 559 409 A 46 LYS HG3 A 46 LYS HB2 1.0 1.8 3.0 560 409 A 46 LYS HB3 A 46 LYS HG3 1.0 1.8 3.0 561 410 A 46 LYS H A 46 LYS HB2 1.0 2.8 6.0 562 410 A 46 LYS H A 46 LYS HB3 1.0 2.8 6.0 563 411 A 47 ASP HA A 47 ASP HB2 1.0 1.8 3.0 564 411 A 47 ASP HA A 47 ASP HB3 1.0 1.8 3.0 565 412 A 47 ASP H A 47 ASP HA 1.0 1.8 4.0 566 413 A 47 ASP HA A 47 ASP HB2 1.0 1.8 4.0 567 413 A 47 ASP HA A 47 ASP HB3 1.0 1.8 4.0 568 414 A 47 ASP H A 47 ASP HB2 1.0 1.8 4.0 569 414 A 47 ASP H A 47 ASP HB3 1.0 1.8 4.0 570 415 A 48 GLU HA A 48 GLU HB2 1.0 1.8 3.0 571 415 A 48 GLU HA A 48 GLU HB3 1.0 1.8 3.0 572 416 A 48 GLU HA A 48 GLU HG2 1.0 1.8 4.0 573 416 A 48 GLU HA A 48 GLU HG3 1.0 1.8 4.0 574 417 A 48 GLU H A 48 GLU HA 1.0 1.8 5.5 575 418 A 48 GLU HA A 48 GLU HB2 1.0 1.8 4.0 576 418 A 48 GLU HA A 48 GLU HB3 1.0 1.8 4.0 577 419 A 48 GLU HB2 A 48 GLU HG2 1.0 1.8 3.0 578 419 A 48 GLU HB3 A 48 GLU HG2 1.0 1.8 3.0 579 419 A 48 GLU HG3 A 48 GLU HB2 1.0 1.8 3.0 580 419 A 48 GLU HB3 A 48 GLU HG3 1.0 1.8 3.0 581 420 A 48 GLU H A 48 GLU HB2 1.0 1.8 4.0 582 420 A 48 GLU H A 48 GLU HB3 1.0 1.8 4.0 583 421 A 48 GLU HA A 48 GLU HG2 1.0 1.8 4.0 584 421 A 48 GLU HA A 48 GLU HG3 1.0 1.8 4.0 585 422 A 48 GLU HB3 A 48 GLU HG2 1.0 1.8 3.0 586 422 A 48 GLU HB2 A 48 GLU HG2 1.0 1.8 3.0 587 422 A 48 GLU HG3 A 48 GLU HB2 1.0 1.8 3.0 588 422 A 48 GLU HB3 A 48 GLU HG3 1.0 1.8 3.0 589 423 A 48 GLU H A 48 GLU HG2 1.0 2.8 6.0 590 423 A 48 GLU H A 48 GLU HG3 1.0 2.8 6.0 591 424 A 49 ILE HB A 49 ILE HA 1.0 2.8 6.0 592 425 A 49 ILE HD1% A 49 ILE HB 1.0 1.8 3.0 593 426 A 49 ILE HB A 49 ILE H 1.0 1.8 4.0 594 427 A 49 ILE HB A 50 LYS HE2 1.0 2.8 6.0 595 427 A 49 ILE HB A 50 LYS HE3 1.0 2.8 6.0 596 428 A 49 ILE HB A 50 LYS H 1.0 1.8 5.5 597 429 A 49 ILE HD1% A 49 ILE HB 1.0 1.8 5.5 598 430 A 49 ILE HD1% A 49 ILE HG12 1.0 1.8 4.0 599 430 A 49 ILE HD1% A 49 ILE HG13 1.0 1.8 4.0 600 431 A 50 LYS HA A 50 LYS HB2 1.0 1.8 4.0 601 431 A 50 LYS HA A 50 LYS HB3 1.0 1.8 4.0 602 432 A 50 LYS HA A 50 LYS HD2 1.0 1.8 4.0 603 432 A 50 LYS HA A 50 LYS HD3 1.0 1.8 4.0 604 433 A 50 LYS HA A 50 LYS HE2 1.0 2.8 6.0 605 433 A 50 LYS HA A 50 LYS HE3 1.0 2.8 6.0 606 434 A 50 LYS HA A 50 LYS HG2 1.0 1.8 4.0 607 434 A 50 LYS HA A 50 LYS HG3 1.0 1.8 4.0 608 435 A 50 LYS H A 50 LYS HA 1.0 1.8 5.5 609 436 A 50 LYS HA A 50 LYS HB2 1.0 1.8 4.0 610 436 A 50 LYS HA A 50 LYS HB3 1.0 1.8 4.0 611 437 A 50 LYS HB2 A 50 LYS HD2 1.0 1.8 3.0 612 437 A 50 LYS HB3 A 50 LYS HD2 1.0 1.8 3.0 613 437 A 50 LYS HD3 A 50 LYS HB2 1.0 1.8 3.0 614 437 A 50 LYS HB3 A 50 LYS HD3 1.0 1.8 3.0 615 438 A 50 LYS HB2 A 50 LYS HG2 1.0 1.8 3.0 616 438 A 50 LYS HB3 A 50 LYS HG2 1.0 1.8 3.0 617 438 A 50 LYS HG3 A 50 LYS HB2 1.0 1.8 3.0 618 438 A 50 LYS HB3 A 50 LYS HG3 1.0 1.8 3.0 619 439 A 50 LYS H A 50 LYS HB2 1.0 1.8 5.5 620 439 A 50 LYS H A 50 LYS HB3 1.0 1.8 5.5 621 440 A 50 LYS HD3 A 50 LYS HG2 1.0 1.8 5.5 622 440 A 50 LYS HD2 A 50 LYS HG2 1.0 1.8 5.5 623 440 A 50 LYS HG3 A 50 LYS HD2 1.0 1.8 5.5 624 440 A 50 LYS HD3 A 50 LYS HG3 1.0 1.8 5.5 625 441 A 51 THR HA A 50 LYS HB2 1.0 2.8 6.0 626 441 A 50 LYS HB3 A 51 THR HA 1.0 2.8 6.0 627 442 A 51 THR HA A 51 THR HB 1.0 1.8 5.5 628 443 A 51 THR HA A 51 THR HG2% 1.0 1.8 3.0 629 444 A 51 THR H A 51 THR HA 1.0 1.8 4.0 630 445 A 51 THR HB A 51 THR HG2% 1.0 1.8 5.5 631 446 A 51 THR HA A 51 THR HG2% 1.0 1.8 3.0 632 447 A 52 PHE HA A 52 PHE HBx 1.0 1.8 5.5 633 448 A 52 PHE HD% A 52 PHE HA 1.0 2.8 6.0 634 449 A 52 PHE HA A 52 PHE H 1.0 1.8 4.0 635 450 A 52 PHE HA A 53 THR HG2% 1.0 2.8 6.0 636 451 A 52 PHE HA A 53 THR H 1.0 2.8 6.0 637 452 A 52 PHE HA A 52 PHE HBx 1.0 2.8 6.0 638 453 A 52 PHE HA A 52 PHE HBy 1.0 1.8 5.5 639 454 A 52 PHE HD% A 52 PHE HBx 1.0 1.8 5.5 640 455 A 52 PHE HD% A 52 PHE HBy 1.0 1.8 5.5 641 456 A 52 PHE HBx A 52 PHE H 1.0 1.8 5.5 642 457 A 52 PHE HBy A 52 PHE H 1.0 1.8 4.0 643 458 A 52 PHE HBx A 53 THR H 1.0 2.8 6.0 644 459 A 52 PHE HBy A 53 THR H 1.0 1.8 5.5 645 460 A 53 THR HB A 53 THR HG2% 1.0 1.8 3.0 646 461 A 53 THR H A 53 THR HB 1.0 1.8 4.0 647 462 A 53 THR HB A 53 THR HG2% 1.0 1.8 3.0 648 463 A 54 VAL HA A 54 VAL HB 1.0 1.8 4.0 649 464 A 54 VAL HA A 54 VAL HGx% 1.0 1.8 4.0 650 465 A 54 VAL H A 54 VAL HA 1.0 1.8 4.0 651 466 A 54 VAL HA A 55 THR H 1.0 1.8 4.0 652 467 A 54 VAL HA A 54 VAL HB 1.0 1.8 4.0 653 468 A 54 VAL HB A 54 VAL HGx% 1.0 1.8 3.0 654 469 A 54 VAL H A 54 VAL HB 1.0 2.8 6.0 655 470 A 54 VAL HB A 55 THR H 1.0 2.8 6.0 656 471 A 54 VAL HA A 54 VAL HGx% 1.0 1.8 5.5 657 472 A 54 VAL HB A 54 VAL HGx% 1.0 1.8 4.0 658 473 A 55 THR HA A 55 THR HB 1.0 1.8 5.5 659 474 A 55 THR HA A 55 THR HG2% 1.0 2.8 6.0 660 475 A 18 LYS H A 21 VAL HA 1.0 3.3 6.5 661 476 A 43 TRP HZ3 A 12 ALA HA 1.0 2.3 6.0 662 477 A 43 TRP HZ3 A 11 GLN HBx 1.0 3.3 6.5 663 478 A 20 LEU HDx% A 46 LYS HA 1.0 2.3 4.5 664 479 A 46 LYS HA A 49 ILE HB 1.0 1.8 4.0 665 480 A 49 ILE HA A 50 LYS HA 1.0 2.8 6.0 666 481 A 47 ASP HA A 50 LYS HB2 1.0 2.8 6.0 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 13 LYS H A 9 LEU O 1.0 1.5 2.5 2 2 A 9 LEU O A 13 LYS N 1.0 2.3 3.2 3 3 A 14 GLU H A 10 LYS O 1.0 1.5 2.5 4 4 A 10 LYS O A 14 GLU N 1.0 2.3 3.2 5 5 A 15 GLU H A 11 GLN O 1.0 1.5 2.5 6 6 A 11 GLN O A 15 GLU N 1.0 2.3 3.2 7 7 A 16 ALA H A 12 ALA O 1.0 1.5 2.5 8 8 A 12 ALA O A 16 ALA N 1.0 2.3 3.2 9 9 A 17 ILE H A 13 LYS O 1.0 1.5 2.5 10 10 A 13 LYS O A 17 ILE N 1.0 2.3 3.2 11 11 A 18 LYS H A 14 GLU O 1.0 1.5 2.5 12 12 A 14 GLU O A 18 LYS N 1.0 2.3 3.2 13 13 A 19 GLU H A 15 GLU O 1.0 1.5 2.5 14 14 A 15 GLU O A 19 GLU N 1.0 2.3 3.2 15 15 A 20 LEU H A 16 ALA O 1.0 1.5 2.5 16 16 A 16 ALA O A 20 LEU N 1.0 2.3 3.2 17 17 A 21 VAL H A 17 ILE O 1.0 1.5 2.5 18 18 A 17 ILE O A 21 VAL N 1.0 2.3 3.2 19 19 A 22 ASP H A 18 LYS O 1.0 1.5 2.5 20 20 A 18 LYS O A 22 ASP N 1.0 2.3 3.2 21 21 A 23 ALA H A 19 GLU O 1.0 1.5 2.5 22 22 A 19 GLU O A 23 ALA N 1.0 2.3 3.2 23 23 A 31 LYS H A 27 GLU O 1.0 1.5 2.5 24 24 A 27 GLU O A 31 LYS N 1.0 2.3 3.2 25 25 A 32 LEU H A 28 LYS O 1.0 1.5 2.5 26 26 A 28 LYS O A 32 LEU N 1.0 2.3 3.2 27 27 A 33 ILE H A 29 TYR O 1.0 1.5 2.5 28 28 A 29 TYR O A 33 ILE N 1.0 2.3 3.2 29 29 A 34 ALA H A 30 ILE O 1.0 1.5 2.5 30 30 A 30 ILE O A 34 ALA N 1.0 2.3 3.2 31 31 A 43 TRP H A 39 VAL O 1.0 1.5 2.5 32 32 A 39 VAL O A 43 TRP N 1.0 2.3 3.2 33 33 A 44 THR H A 40 GLU O 1.0 1.5 2.5 34 34 A 40 GLU O A 44 THR N 1.0 2.3 3.2 35 35 A 45 LEU H A 41 GLY O 1.0 1.5 2.5 36 36 A 41 GLY O A 45 LEU N 1.0 2.3 3.2 37 37 A 46 LYS H A 42 VAL O 1.0 1.5 2.5 38 38 A 42 VAL O A 46 LYS N 1.0 2.3 3.2 39 39 A 47 ASP H A 43 TRP O 1.0 1.5 2.5 40 40 A 43 TRP O A 47 ASP N 1.0 2.3 3.2 41 41 A 48 GLU H A 44 THR O 1.0 1.5 2.5 42 42 A 44 THR O A 48 GLU N 1.0 2.3 3.2 43 43 A 49 ILE H A 45 LEU O 1.0 1.5 2.5 44 44 A 45 LEU O A 49 ILE N 1.0 2.3 3.2 45 45 A 50 LYS H A 46 LYS O 1.0 1.5 2.5 46 46 A 46 LYS O A 50 LYS N 1.0 2.3 3.2 47 47 A 51 THR H A 47 ASP O 1.0 1.5 2.5 48 48 A 47 ASP O A 51 THR N 1.0 2.3 3.2 49 49 A 52 PHE H A 48 GLU O 1.0 1.5 2.5 50 50 A 48 GLU O A 52 PHE N 1.0 2.3 3.2 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _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 8 ASN C A 9 LEU N A 9 LEU CA A 9 LEU C 1.0 -86.8 -36.8 PHI 2 2 A 9 LEU N A 9 LEU CA A 9 LEU C A 10 LYS N 1.0 -46.8 -31.6 PSI 3 3 A 9 LEU C A 10 LYS N A 10 LYS CA A 10 LYS C 1.0 -84.5 -34.5 PHI 4 4 A 10 LYS N A 10 LYS CA A 10 LYS C A 11 GLN N 1.0 -52.3 -37.3 PSI 5 5 A 10 LYS C A 11 GLN N A 11 GLN CA A 11 GLN C 1.0 -88.6 -38.6 PHI 6 6 A 11 GLN N A 11 GLN CA A 11 GLN C A 12 ALA N 1.0 -49.3 -34.1 PSI 7 7 A 11 GLN C A 12 ALA N A 12 ALA CA A 12 ALA C 1.0 -87.1 -37.1 PHI 8 8 A 12 ALA N A 12 ALA CA A 12 ALA C A 13 LYS N 1.0 -49.3 -34.1 PSI 9 9 A 12 ALA C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -84.0 -34.0 PHI 10 10 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 GLU N 1.0 -51.4 -36.2 PSI 11 11 A 13 LYS C A 14 GLU N A 14 GLU CA A 14 GLU C 1.0 -87.0 -37.0 PHI 12 12 A 14 GLU N A 14 GLU CA A 14 GLU C A 15 GLU N 1.0 -49.4 -34.2 PSI 13 13 A 14 GLU C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -87.2 -37.2 PHI 14 14 A 15 GLU N A 15 GLU CA A 15 GLU C A 16 ALA N 1.0 -48.3 -33.3 PSI 15 15 A 15 GLU C A 16 ALA N A 16 ALA CA A 16 ALA C 1.0 -89.8 -39.8 PHI 16 16 A 16 ALA N A 16 ALA CA A 16 ALA C A 17 ILE N 1.0 -49.3 -34.3 PSI 17 17 A 16 ALA C A 17 ILE N A 17 ILE CA A 17 ILE C 1.0 -89.2 -39.2 PHI 18 18 A 17 ILE N A 17 ILE CA A 17 ILE C A 18 LYS N 1.0 -51.1 -35.9 PSI 19 19 A 17 ILE C A 18 LYS N A 18 LYS CA A 18 LYS C 1.0 -83.7 -33.7 PHI 20 20 A 18 LYS N A 18 LYS CA A 18 LYS C A 19 GLU N 1.0 -48.5 -33.5 PSI 21 21 A 18 LYS C A 19 GLU N A 19 GLU CA A 19 GLU C 1.0 -88.1 -38.1 PHI 22 22 A 19 GLU N A 19 GLU CA A 19 GLU C A 20 LEU N 1.0 -49.8 -34.6 PSI 23 23 A 19 GLU C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -91.8 -41.8 PHI 24 24 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 VAL N 1.0 -43.1 -27.9 PSI 25 25 A 20 LEU C A 21 VAL N A 21 VAL CA A 21 VAL C 1.0 -92.2 -42.2 PHI 26 26 A 21 VAL N A 21 VAL CA A 21 VAL C A 22 ASP N 1.0 -50.6 -35.4 PSI 27 27 A 21 VAL C A 22 ASP N A 22 ASP CA A 22 ASP C 1.0 -93.9 -43.9 PHI 28 28 A 22 ASP N A 22 ASP CA A 22 ASP C A 23 ALA N 1.0 -36.2 -18.0 PSI 29 29 A 26 ALA C A 27 GLU N A 27 GLU CA A 27 GLU C 1.0 -85.1 -35.1 PHI 30 30 A 27 GLU N A 27 GLU CA A 27 GLU C A 28 LYS N 1.0 -47.9 -29.7 PSI 31 31 A 27 GLU C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 -90.2 -40.2 PHI 32 32 A 28 LYS N A 28 LYS CA A 28 LYS C A 29 TYR N 1.0 -45.1 -26.7 PSI 33 33 A 28 LYS C A 29 TYR N A 29 TYR CA A 29 TYR C 1.0 -96.9 -46.9 PHI 34 34 A 29 TYR N A 29 TYR CA A 29 TYR C A 30 ILE N 1.0 -48.4 -29.2 PSI 35 35 A 29 TYR C A 30 ILE N A 30 ILE CA A 30 ILE C 1.0 -87.2 -37.2 PHI 36 36 A 30 ILE N A 30 ILE CA A 30 ILE C A 31 LYS N 1.0 -51.2 -32.0 PSI 37 37 A 30 ILE C A 31 LYS N A 31 LYS CA A 31 LYS C 1.0 -84.6 -34.6 PHI 38 38 A 31 LYS N A 31 LYS CA A 31 LYS C A 32 LEU N 1.0 -50.8 -31.6 PSI 39 39 A 31 LYS C A 32 LEU N A 32 LEU CA A 32 LEU C 1.0 -88.6 -38.6 PHI 40 40 A 32 LEU N A 32 LEU CA A 32 LEU C A 33 ILE N 1.0 -51.1 -31.9 PSI 41 41 A 32 LEU C A 33 ILE N A 33 ILE CA A 33 ILE C 1.0 -90.1 -40.1 PHI 42 42 A 33 ILE N A 33 ILE CA A 33 ILE C A 34 ALA N 1.0 -49.6 -30.2 PSI 43 43 A 33 ILE C A 34 ALA N A 34 ALA CA A 34 ALA C 1.0 -85.2 -35.2 PHI 44 44 A 34 ALA N A 34 ALA CA A 34 ALA C A 35 ASN N 1.0 -44.6 -25.2 PSI 45 45 A 34 ALA C A 35 ASN N A 35 ASN CA A 35 ASN C 1.0 -111.6 -61.6 PHI 46 46 A 35 ASN N A 35 ASN CA A 35 ASN C A 36 ALA N 1.0 -30.5 -3.3 PSI 47 47 A 38 THR C A 39 VAL N A 39 VAL CA A 39 VAL C 1.0 -88.7 -38.9 PHI 48 48 A 39 VAL N A 39 VAL CA A 39 VAL C A 40 GLU N 1.0 -54.7 -27.5 PSI 49 49 A 39 VAL C A 40 GLU N A 40 GLU CA A 40 GLU C 1.0 -87.2 -37.4 PHI 50 50 A 40 GLU N A 40 GLU CA A 40 GLU C A 41 GLY N 1.0 -54.9 -27.7 PSI 51 51 A 40 GLU C A 41 GLY N A 41 GLY CA A 41 GLY C 1.0 -92.3 -42.3 PHI 52 52 A 41 GLY N A 41 GLY CA A 41 GLY C A 42 VAL N 1.0 -52.1 -24.9 PSI 53 53 A 41 GLY C A 42 VAL N A 42 VAL CA A 42 VAL C 1.0 -88.0 -38.0 PHI 54 54 A 42 VAL N A 42 VAL CA A 42 VAL C A 43 TRP N 1.0 -54.8 -27.6 PSI 55 55 A 42 VAL C A 43 TRP N A 43 TRP CA A 43 TRP C 1.0 -88.0 -38.0 PHI 56 56 A 43 TRP N A 43 TRP CA A 43 TRP C A 44 THR N 1.0 -51.0 -23.8 PSI 57 57 A 43 TRP C A 44 THR N A 44 THR CA A 44 THR C 1.0 -92.1 -42.1 PHI 58 58 A 44 THR N A 44 THR CA A 44 THR C A 45 LEU N 1.0 -54.1 -26.9 PSI 59 59 A 44 THR C A 45 LEU N A 45 LEU CA A 45 LEU C 1.0 -89.4 -39.4 PHI 60 60 A 45 LEU N A 45 LEU CA A 45 LEU C A 46 LYS N 1.0 -54.0 -26.8 PSI 61 61 A 45 LEU C A 46 LYS N A 46 LYS CA A 46 LYS C 1.0 -86.2 -36.2 PHI 62 62 A 46 LYS N A 46 LYS CA A 46 LYS C A 47 ASP N 1.0 -55.4 -28.2 PSI 63 63 A 46 LYS C A 47 ASP N A 47 ASP CA A 47 ASP C 1.0 -87.5 -37.5 PHI 64 64 A 47 ASP N A 47 ASP CA A 47 ASP C A 48 GLU N 1.0 -52.0 -24.8 PSI 65 65 A 47 ASP C A 48 GLU N A 48 GLU CA A 48 GLU C 1.0 -94.2 -44.2 PHI 66 66 A 48 GLU N A 48 GLU CA A 48 GLU C A 49 ILE N 1.0 -53.4 -26.2 PSI 67 67 A 48 GLU C A 49 ILE N A 49 ILE CA A 49 ILE C 1.0 -90.4 -40.4 PHI 68 68 A 49 ILE N A 49 ILE CA A 49 ILE C A 50 LYS N 1.0 -54.0 -27.0 PSI 69 69 A 49 ILE C A 50 LYS N A 50 LYS CA A 50 LYS C 1.0 -84.1 -34.1 PHI 70 70 A 50 LYS N A 50 LYS CA A 50 LYS C A 51 THR N 1.0 -53.6 -26.4 PSI 71 71 A 50 LYS C A 51 THR N A 51 THR CA A 51 THR C 1.0 -101.9 -51.9 PHI 72 72 A 51 THR N A 51 THR CA A 51 THR C A 52 PHE N 1.0 -47.8 -15.0 PSI stop_ save_