data_nef_c16117_2kdm 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 16116 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 ALA 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 PHE 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 TYR 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 HA H 1 4.205 0.001 A 1 THR HB H 1 3.928 0.022 A 1 THR HG2% H 1 0.935 0.073 A 1 THR CA C 13 62.469 0.5 A 1 THR CB C 13 69.915 0.5 A 1 THR CG2 C 13 21.019 0.5 A 2 THR H H 1 8.931 0.022 A 2 THR HA H 1 4.504 0.005 A 2 THR HB H 1 4.07 0.098 A 2 THR HG2% H 1 1.262 0.045 A 2 THR C C 13 172.828 0.5 A 2 THR CA C 13 63.506 0.083 A 2 THR CB C 13 68.833 0.042 A 2 THR CG2 C 13 22.834 0.5 A 2 THR N N 15 124.414 0.03 A 3 TYR H H 1 9.041 0.019 A 3 TYR HA H 1 5.453 0.01 A 3 TYR HBy H 1 3.485 0.019 A 3 TYR HBx H 1 3.319 0.036 A 3 TYR HD1 H 1 7.315 0.037 A 3 TYR HD2 H 1 7.315 0.037 A 3 TYR C C 13 174.672 0.5 A 3 TYR CA C 13 57.886 0.027 A 3 TYR CB C 13 42.295 0.052 A 3 TYR CD1 C 13 132.733 0.5 A 3 TYR CD2 C 13 132.733 0.5 A 3 TYR N N 15 127.469 0.029 A 4 LYS H H 1 9.046 0.014 A 4 LYS HA H 1 5.547 0.017 A 4 LYS HBy H 1 2.075 0.019 A 4 LYS HBx H 1 2.011 0.008 A 4 LYS HE2 H 1 2.966 0.003 A 4 LYS HE3 H 1 2.966 0.003 A 4 LYS HG2 H 1 1.531 0.033 A 4 LYS HG3 H 1 1.531 0.033 A 4 LYS C C 13 173.092 0.5 A 4 LYS CA C 13 55.112 0.039 A 4 LYS CB C 13 35.889 0.034 A 4 LYS CD C 13 30.328 0.5 A 4 LYS CE C 13 41.276 0.5 A 4 LYS CG C 13 25.703 0.5 A 4 LYS N N 15 121.164 0.017 A 5 LEU H H 1 9.017 0.041 A 5 LEU HA H 1 5.095 0.025 A 5 LEU HBy H 1 1.049 0.023 A 5 LEU HBx H 1 -0.842 0.016 A 5 LEU HDx% H 1 0.379 0.003 A 5 LEU HDy% H 1 0.632 0.017 A 5 LEU HG H 1 1.612 0.014 A 5 LEU C C 13 174.914 0.5 A 5 LEU CA C 13 52.648 0.041 A 5 LEU CB C 13 43.729 0.071 A 5 LEU CD2 C 13 24.064 0.5 A 5 LEU CG C 13 25.586 0.5 A 5 LEU N N 15 126.371 0.045 A 6 ILE H H 1 9.129 0.02 A 6 ILE HA H 1 4.502 0.018 A 6 ILE HB H 1 1.988 0.009 A 6 ILE HD1% H 1 0.859 0.005 A 6 ILE C C 13 174.654 0.5 A 6 ILE CA C 13 60.366 0.043 A 6 ILE CB C 13 38.76 0.013 A 6 ILE CD1 C 13 12.238 0.5 A 6 ILE CG1 C 13 27.049 0.5 A 6 ILE CG2 C 13 16.921 0.5 A 6 ILE N N 15 126.264 0.027 A 7 LEU H H 1 8.956 0.039 A 7 LEU HA H 1 4.57 0.027 A 7 LEU HBy H 1 1.761 0.033 A 7 LEU HBx H 1 1.27 0.021 A 7 LEU HDx% H 1 0.728 0.037 A 7 LEU C C 13 174.493 0.5 A 7 LEU CA C 13 53.644 0.037 A 7 LEU CB C 13 41.339 0.01 A 7 LEU CD1 C 13 24.649 0.5 A 7 LEU CG C 13 26.171 0.5 A 7 LEU N N 15 126.422 0.028 A 8 ASN H H 1 9.065 0.025 A 8 ASN HA H 1 5.181 0.014 A 8 ASN HBy H 1 3.006 0.025 A 8 ASN HBx H 1 2.666 0.02 A 8 ASN HD2y H 1 7.137 0.041 A 8 ASN HD2x H 1 6.808 0.001 A 8 ASN C C 13 174.434 0.5 A 8 ASN CA C 13 51.851 0.025 A 8 ASN CB C 13 37.869 0.012 A 8 ASN N N 15 125.633 0.028 A 8 ASN ND2 N 15 111.47 0.013 A 9 LEU H H 1 7.72 0.028 A 9 LEU HA H 1 4.754 0.026 A 9 LEU HBy H 1 2.105 0.029 A 9 LEU HBx H 1 1.881 0.06 A 9 LEU HDx% H 1 0.891 0.016 A 9 LEU HG H 1 1.573 0.011 A 9 LEU C C 13 177.207 0.5 A 9 LEU CA C 13 53.431 0.025 A 9 LEU CB C 13 41.451 0.03 A 9 LEU CD1 C 13 22.659 0.5 A 9 LEU CG C 13 26.054 0.5 A 9 LEU N N 15 121.516 0.01 A 10 LYS H H 1 9.251 0.028 A 10 LYS HA H 1 4.034 0.024 A 10 LYS HB2 H 1 1.897 0.034 A 10 LYS HB3 H 1 1.897 0.034 A 10 LYS HE2 H 1 3.23 0.025 A 10 LYS HE3 H 1 3.23 0.025 A 10 LYS HG2 H 1 1.58 0.048 A 10 LYS HG3 H 1 1.58 0.048 A 10 LYS C C 13 179.205 0.5 A 10 LYS CA C 13 59.72 0.028 A 10 LYS CB C 13 31.834 0.012 A 10 LYS CE C 13 40.983 0.5 A 10 LYS CG C 13 26.054 0.5 A 10 LYS N N 15 120.915 0.024 A 11 GLN H H 1 8.566 0.031 A 11 GLN HA H 1 4.447 0.006 A 11 GLN HBy H 1 2.333 0.028 A 11 GLN HBx H 1 2.026 0.015 A 11 GLN HE2y H 1 7.637 0.048 A 11 GLN HE2x H 1 6.918 0.004 A 11 GLN HG2 H 1 2.405 0.022 A 11 GLN HG3 H 1 2.405 0.022 A 11 GLN C C 13 175.378 0.5 A 11 GLN CA C 13 56.019 0.02 A 11 GLN CB C 13 29.175 0.024 A 11 GLN CG C 13 34.192 0.5 A 11 GLN N N 15 113.391 0.016 A 11 GLN NE2 N 15 112.169 0.029 A 12 ALA H H 1 7.186 0.026 A 12 ALA HA H 1 4.506 0.01 A 12 ALA HB% H 1 1.439 0.027 A 12 ALA C C 13 174.369 0.5 A 12 ALA CA C 13 52.485 0.038 A 12 ALA CB C 13 21.424 0.026 A 12 ALA N N 15 120.106 0.005 A 13 LYS H H 1 8.298 0.033 A 13 LYS HA H 1 5.392 0.009 A 13 LYS HB2 H 1 1.83 0.052 A 13 LYS HB3 H 1 1.83 0.052 A 13 LYS HG2 H 1 1.493 0.037 A 13 LYS HG3 H 1 1.493 0.037 A 13 LYS C C 13 176.285 0.5 A 13 LYS CA C 13 55.138 0.039 A 13 LYS CB C 13 33.656 0.015 A 13 LYS CD C 13 29.625 0.5 A 13 LYS CE C 13 43.208 0.5 A 13 LYS CG C 13 24.591 0.5 A 13 LYS N N 15 120.804 0.022 A 14 GLU H H 1 8.64 0.023 A 14 GLU HA H 1 4.879 0.031 A 14 GLU HBy H 1 2.177 0.05 A 14 GLU HBx H 1 1.938 0.024 A 14 GLU HG2 H 1 2.28 0.05 A 14 GLU HG3 H 1 2.28 0.05 A 14 GLU C C 13 174.032 0.5 A 14 GLU CA C 13 54.909 0.025 A 14 GLU CB C 13 34.407 0.08 A 14 GLU CG C 13 36.709 0.5 A 14 GLU N N 15 123.45 0.026 A 15 GLU H H 1 8.642 0.024 A 15 GLU HA H 1 5.631 0.019 A 15 GLU HB2 H 1 2.068 0.033 A 15 GLU HB3 H 1 2.068 0.033 A 15 GLU HG2 H 1 2.218 0.051 A 15 GLU HG3 H 1 2.218 0.051 A 15 GLU C C 13 175.503 0.5 A 15 GLU CA C 13 54.638 0.028 A 15 GLU CB C 13 34.147 0.012 A 15 GLU CG C 13 37.002 0.5 A 15 GLU N N 15 120.056 0.023 A 16 ALA H H 1 9.166 0.029 A 16 ALA HA H 1 4.981 0.037 A 16 ALA HB% H 1 1.642 0.006 A 16 ALA C C 13 175.027 0.5 A 16 ALA CA C 13 51.324 0.034 A 16 ALA CB C 13 22.552 0.013 A 16 ALA N N 15 124.648 0.006 A 17 ILE H H 1 8.645 0.028 A 17 ILE HA H 1 5.672 0.027 A 17 ILE HB H 1 1.987 0.01 A 17 ILE HD1% H 1 0.7 0.029 A 17 ILE HG12 H 1 1.317 0.018 A 17 ILE HG13 H 1 1.317 0.018 A 17 ILE HG2% H 1 1.083 0.027 A 17 ILE C C 13 175.737 0.5 A 17 ILE CA C 13 59.733 0.036 A 17 ILE CB C 13 42.219 0.012 A 17 ILE CD1 C 13 12.589 0.5 A 17 ILE CG1 C 13 27.167 0.5 A 17 ILE CG2 C 13 17.917 0.5 A 17 ILE N N 15 116.684 0.017 A 18 LYS H H 1 9.243 0.025 A 18 LYS HA H 1 4.548 0.016 A 18 LYS HBy H 1 1.626 0.047 A 18 LYS HBx H 1 1.467 0.022 A 18 LYS HD2 H 1 1.072 0.056 A 18 LYS HD3 H 1 1.072 0.056 A 18 LYS HG2 H 1 0.548 0.037 A 18 LYS HG3 H 1 0.548 0.037 A 18 LYS C C 13 174.039 0.5 A 18 LYS CA C 13 54.956 0.006 A 18 LYS CB C 13 37.101 0.018 A 18 LYS CD C 13 27.225 0.5 A 18 LYS CE C 13 42.622 0.5 A 18 LYS CG C 13 23.83 0.5 A 18 LYS N N 15 123.578 0.024 A 19 GLU H H 1 8.812 0.013 A 19 GLU HA H 1 5.184 0.017 A 19 GLU HB2 H 1 2.012 0.024 A 19 GLU HB3 H 1 2.012 0.024 A 19 GLU C C 13 175.912 0.5 A 19 GLU CA C 13 55.34 0.027 A 19 GLU CB C 13 29.224 0.039 A 19 GLU CG C 13 35.597 0.5 A 19 GLU N N 15 129.72 0.012 A 20 ALA H H 1 9.425 0.02 A 20 ALA HA H 1 4.935 0.003 A 20 ALA HB% H 1 1.428 0.017 A 20 ALA C C 13 177.376 0.5 A 20 ALA CA C 13 51.128 0.091 A 20 ALA CB C 13 23.405 0.041 A 20 ALA N N 15 127.622 0.056 A 21 VAL H H 1 8.62 0.026 A 21 VAL HA H 1 4.262 0.032 A 21 VAL HB H 1 2.307 0.013 A 21 VAL HGx% H 1 1.11 0.001 A 21 VAL C C 13 175.539 0.5 A 21 VAL CA C 13 63.598 0.054 A 21 VAL CB C 13 31.839 0.029 A 21 VAL CG1 C 13 20.376 0.5 A 21 VAL N N 15 115.529 0.006 A 22 ASP H H 1 7.405 0.021 A 22 ASP HA H 1 4.946 0.003 A 22 ASP HB2 H 1 3.079 0.02 A 22 ASP HB3 H 1 3.079 0.02 A 22 ASP C C 13 174.734 0.5 A 22 ASP CA C 13 52.601 0.072 A 22 ASP CB C 13 42.748 0.063 A 22 ASP N N 15 115.513 0.022 A 23 ALA H H 1 8.614 0.019 A 23 ALA HA H 1 3.294 0.035 A 23 ALA HB% H 1 1.309 0.014 A 23 ALA C C 13 179.849 0.5 A 23 ALA CA C 13 54.858 0.039 A 23 ALA CB C 13 17.424 0.039 A 23 ALA N N 15 121.829 0.035 A 24 GLY H H 1 8.555 0.017 A 24 GLY HA2 H 1 3.851 0.014 A 24 GLY HA3 H 1 3.851 0.014 A 24 GLY C C 13 177.142 0.5 A 24 GLY CA C 13 46.839 0.012 A 24 GLY N N 15 106.435 0.004 A 25 THR H H 1 8.241 0.028 A 25 THR HA H 1 4.063 0.024 A 25 THR HB H 1 3.852 0.012 A 25 THR HG2% H 1 1.301 0.013 A 25 THR C C 13 177.054 0.5 A 25 THR CA C 13 66.635 0.5 A 25 THR CB C 13 68.068 0.082 A 25 THR CG2 C 13 21.488 0.5 A 25 THR N N 15 119.981 0.001 A 26 ALA H H 1 7.1 0.023 A 26 ALA HA H 1 3.364 0.022 A 26 ALA HB% H 1 0.887 0.016 A 26 ALA C C 13 177.098 0.5 A 26 ALA CA C 13 55.502 0.026 A 26 ALA CB C 13 17.127 0.028 A 26 ALA N N 15 124.535 0.005 A 27 GLU H H 1 8.739 0.037 A 27 GLU HA H 1 2.941 0.011 A 27 GLU HBy H 1 2.122 0.035 A 27 GLU HBx H 1 2.002 0.023 A 27 GLU HG2 H 1 1.737 0.017 A 27 GLU HG3 H 1 1.737 0.017 A 27 GLU C C 13 177.368 0.5 A 27 GLU CA C 13 60.19 0.038 A 27 GLU CB C 13 29.225 0.011 A 27 GLU CG C 13 35.538 0.5 A 27 GLU N N 15 118.116 0.005 A 28 LYS H H 1 7.333 0.037 A 28 LYS HA H 1 3.764 0.057 A 28 LYS HB2 H 1 1.808 0.074 A 28 LYS HB3 H 1 1.808 0.074 A 28 LYS HE2 H 1 2.954 0.027 A 28 LYS HE3 H 1 2.954 0.027 A 28 LYS HG2 H 1 1.423 0.014 A 28 LYS HG3 H 1 1.423 0.014 A 28 LYS C C 13 178.993 0.5 A 28 LYS CA C 13 59.881 0.029 A 28 LYS CB C 13 32.382 0.012 A 28 LYS CG C 13 25.41 0.5 A 28 LYS N N 15 116.088 0.014 A 29 TYR H H 1 7.016 0.008 A 29 TYR HA H 1 4.273 0.006 A 29 TYR HBy H 1 3.068 0.017 A 29 TYR HBx H 1 2.782 0.031 A 29 TYR HD1 H 1 6.818 0.003 A 29 TYR HD2 H 1 6.818 0.003 A 29 TYR HE1 H 1 6.675 0.002 A 29 TYR HE2 H 1 6.675 0.002 A 29 TYR C C 13 177.581 0.5 A 29 TYR CA C 13 61.05 0.064 A 29 TYR CB C 13 37.86 0.009 A 29 TYR CD1 C 13 130.089 0.5 A 29 TYR CD2 C 13 130.089 0.5 A 29 TYR CE1 C 13 123.176 0.5 A 29 TYR CE2 C 13 123.176 0.5 A 29 TYR N N 15 119.155 0.013 A 30 PHE H H 1 8.775 0.03 A 30 PHE HA H 1 4.619 0.026 A 30 PHE HBy H 1 3.429 0.018 A 30 PHE HBx H 1 3.079 0.026 A 30 PHE HD1 H 1 6.872 0.052 A 30 PHE HD2 H 1 6.872 0.052 A 30 PHE HE1 H 1 7.386 0.032 A 30 PHE HE2 H 1 7.386 0.032 A 30 PHE C C 13 178.612 0.5 A 30 PHE CA C 13 57.312 0.053 A 30 PHE CB C 13 37.667 0.024 A 30 PHE CD1 C 13 132.341 0.008 A 30 PHE CD2 C 13 132.341 0.008 A 30 PHE CE1 C 13 130.453 0.5 A 30 PHE CE2 C 13 130.453 0.5 A 30 PHE N N 15 118.969 0.018 A 31 LYS H H 1 8.977 0.028 A 31 LYS HA H 1 4.141 0.03 A 31 LYS HBy H 1 1.822 0.059 A 31 LYS HBx H 1 1.678 0.005 A 31 LYS HG2 H 1 1.181 0.014 A 31 LYS HG3 H 1 1.181 0.014 A 31 LYS C C 13 178.781 0.5 A 31 LYS CA C 13 59.878 0.054 A 31 LYS CB C 13 31.707 0.028 A 31 LYS CG C 13 26.113 0.5 A 31 LYS N N 15 121.474 0.009 A 32 LEU H H 1 7.215 0.044 A 32 LEU HA H 1 4.179 0.021 A 32 LEU HBy H 1 1.995 0.003 A 32 LEU HBx H 1 1.628 0.05 A 32 LEU HDx% H 1 0.966 0.035 A 32 LEU HG H 1 1.85 0.012 A 32 LEU C C 13 180.639 0.5 A 32 LEU CA C 13 57.933 0.02 A 32 LEU CB C 13 41.283 0.017 A 32 LEU CD1 C 13 23.186 0.5 A 32 LEU CG C 13 25.527 0.5 A 32 LEU N N 15 118.836 0.067 A 33 ILE H H 1 7.397 0.022 A 33 ILE HA H 1 3.896 0.027 A 33 ILE HB H 1 2.052 0.043 A 33 ILE HD1% H 1 0.845 0.01 A 33 ILE C C 13 178.546 0.5 A 33 ILE CA C 13 63.892 0.045 A 33 ILE CB C 13 37.582 0.03 A 33 ILE CD1 C 13 17.097 0.5 A 33 ILE CG1 C 13 27.752 0.5 A 33 ILE N N 15 118.838 0.02 A 34 ALA H H 1 8.593 0.026 A 34 ALA HA H 1 3.984 0.007 A 34 ALA HB% H 1 1.704 0.009 A 34 ALA C C 13 179.571 0.5 A 34 ALA CA C 13 55.141 0.032 A 34 ALA CB C 13 18.671 0.032 A 34 ALA N N 15 121.471 0.017 A 35 ASN H H 1 8.503 0.019 A 35 ASN HA H 1 4.707 0.084 A 35 ASN HB2 H 1 3.025 0.021 A 35 ASN HB3 H 1 3.025 0.021 A 35 ASN HD2y H 1 7.664 0.002 A 35 ASN HD2x H 1 6.894 0.05 A 35 ASN C C 13 177.434 0.5 A 35 ASN CA C 13 55.732 0.089 A 35 ASN CB C 13 38.224 0.077 A 35 ASN N N 15 116.283 0.016 A 35 ASN ND2 N 15 110.876 0.014 A 36 ALA H H 1 7.61 0.033 A 36 ALA HA H 1 4.363 0.01 A 36 ALA HB% H 1 1.604 0.028 A 36 ALA C C 13 178.715 0.5 A 36 ALA CA C 13 54.004 0.5 A 36 ALA CB C 13 19.224 0.5 A 36 ALA N N 15 120.62 0 A 37 LYS H H 1 7.673 0.024 A 37 LYS HA H 1 4.436 0.016 A 37 LYS HB2 H 1 1.971 0.025 A 37 LYS HB3 H 1 1.971 0.025 A 37 LYS HE2 H 1 2.997 0.05 A 37 LYS HE3 H 1 2.997 0.05 A 37 LYS HG2 H 1 1.528 0.031 A 37 LYS HG3 H 1 1.528 0.031 A 37 LYS C C 13 175.876 0.5 A 37 LYS CA C 13 56.284 0.03 A 37 LYS CB C 13 34.026 0.022 A 37 LYS CD C 13 29.684 0.5 A 37 LYS CE C 13 40.046 0.5 A 37 LYS CG C 13 24.883 0.5 A 37 LYS N N 15 116.344 0.014 A 38 THR H H 1 8.122 0.049 A 38 THR HA H 1 4.409 0.015 A 38 THR HB H 1 4.094 0.055 A 38 THR HG2% H 1 1.381 0.099 A 38 THR C C 13 172.766 0.5 A 38 THR CA C 13 61.468 0.007 A 38 THR CB C 13 69.124 0.014 A 38 THR CG2 C 13 21.195 0.5 A 38 THR N N 15 113.585 0.01 A 39 VAL H H 1 8.254 0.016 A 39 VAL HA H 1 4.399 0.031 A 39 VAL HB H 1 2.159 0.03 A 39 VAL HGx% H 1 0.875 0.05 A 39 VAL C C 13 176.183 0.5 A 39 VAL CA C 13 62.431 0.087 A 39 VAL CB C 13 32.795 0.04 A 39 VAL CG1 C 13 20.668 0.5 A 39 VAL N N 15 120.756 0.037 A 40 GLU H H 1 8.732 0.02 A 40 GLU HA H 1 4.711 0.04 A 40 GLU HBy H 1 2.289 0.026 A 40 GLU HBx H 1 2.109 0.019 A 40 GLU C C 13 175.571 0.5 A 40 GLU CA C 13 55.569 0.5 A 40 GLU CB C 13 30.469 0.5 A 40 GLU CG C 13 36.182 0.5 A 40 GLU N N 15 124.791 0.037 A 41 GLY H H 1 8.145 0.032 A 41 GLY HAy H 1 4.236 0.012 A 41 GLY HAx H 1 3.589 0.028 A 41 GLY C C 13 172.517 0.5 A 41 GLY CA C 13 45.203 0.027 A 41 GLY N N 15 107.758 0.022 A 42 VAL H H 1 8.49 0.023 A 42 VAL HA H 1 4.525 0.02 A 42 VAL HB H 1 2.08 0.039 A 42 VAL HGx% H 1 1.111 0.02 A 42 VAL C C 13 176.739 0.5 A 42 VAL CA C 13 62.354 0.031 A 42 VAL CB C 13 33.355 0.082 A 42 VAL CG1 C 13 20.961 0.5 A 42 VAL N N 15 121.959 0.03 A 43 TRP H H 1 9.465 0.088 A 43 TRP HA H 1 5.375 0.031 A 43 TRP HBy H 1 3.413 0.022 A 43 TRP HBx H 1 3.258 0.021 A 43 TRP HD1 H 1 7.448 0.024 A 43 TRP HE1 H 1 10.45 0.053 A 43 TRP HE3 H 1 7.723 0.017 A 43 TRP HZ2 H 1 7.307 0.022 A 43 TRP HZ3 H 1 6.645 0.055 A 43 TRP C C 13 177.127 0.5 A 43 TRP CA C 13 58.056 0.154 A 43 TRP CB C 13 29.74 0.039 A 43 TRP CD1 C 13 126.219 0.5 A 43 TRP CE3 C 13 120.616 0.5 A 43 TRP CZ2 C 13 115.62 0.5 A 43 TRP CZ3 C 13 120.933 0.5 A 43 TRP N N 15 130.804 0.018 A 43 TRP NE1 N 15 130.66 0 A 44 THR H H 1 9.38 0.026 A 44 THR HA H 1 4.908 0.016 A 44 THR HB H 1 4.298 0.017 A 44 THR HG2% H 1 1.304 0.002 A 44 THR C C 13 172.803 0.5 A 44 THR CA C 13 61.075 0.035 A 44 THR CB C 13 72.681 0.071 A 44 THR CG2 C 13 22.073 0.5 A 44 THR N N 15 115.117 0.021 A 45 TYR H H 1 8.773 0.014 A 45 TYR HA H 1 5.143 0.037 A 45 TYR HBy H 1 3.07 0.022 A 45 TYR HBx H 1 2.689 0.002 A 45 TYR HE1 H 1 6.49 0.063 A 45 TYR HE2 H 1 6.49 0.063 A 45 TYR C C 13 174.047 0.5 A 45 TYR CA C 13 57.154 0.043 A 45 TYR CB C 13 41.212 0.003 A 45 TYR CE1 C 13 118.351 0.5 A 45 TYR CE2 C 13 118.351 0.5 A 45 TYR N N 15 121.946 0.022 A 46 LYS H H 1 7.505 0.029 A 46 LYS HA H 1 4.457 0.012 A 46 LYS HBy H 1 1.713 0.026 A 46 LYS HBx H 1 1.442 0.042 A 46 LYS HE2 H 1 2.98 0.005 A 46 LYS HE3 H 1 2.98 0.005 A 46 LYS C C 13 175.444 0.5 A 46 LYS CA C 13 53.992 0.029 A 46 LYS CB C 13 33.875 0.072 A 46 LYS CD C 13 29.391 0.5 A 46 LYS CE C 13 43.325 0.5 A 46 LYS CG C 13 24.649 0.5 A 46 LYS N N 15 128.658 0.059 A 47 ASP H H 1 8.807 0.027 A 47 ASP HA H 1 4.135 0.004 A 47 ASP HBy H 1 3.024 0.036 A 47 ASP HBx H 1 2.601 0.007 A 47 ASP C C 13 179.38 0.5 A 47 ASP CA C 13 57.464 0.007 A 47 ASP CB C 13 42.288 0.033 A 47 ASP N N 15 126.643 0.021 A 48 GLU H H 1 9.909 0.036 A 48 GLU HA H 1 4.172 0.035 A 48 GLU HB2 H 1 2.095 0.041 A 48 GLU HB3 H 1 2.095 0.041 A 48 GLU HG2 H 1 2.44 0.06 A 48 GLU HG3 H 1 2.44 0.06 A 48 GLU C C 13 177.317 0.5 A 48 GLU CA C 13 59.979 0.068 A 48 GLU CB C 13 28.699 0.038 A 48 GLU CG C 13 36.241 0.5 A 48 GLU N N 15 118.4 0.015 A 49 ILE H H 1 6.51 0.018 A 49 ILE HA H 1 4.697 0.051 A 49 ILE HB H 1 2.328 0.028 A 49 ILE HD1% H 1 0.939 0.016 A 49 ILE HG2% H 1 0.95 0.013 A 49 ILE C C 13 175.868 0.5 A 49 ILE CA C 13 60.318 0.089 A 49 ILE CB C 13 38.324 0.01 A 49 ILE CD1 C 13 12.765 0.5 A 49 ILE CG1 C 13 27.342 0.5 A 49 ILE CG2 C 13 17.858 0.5 A 49 ILE N N 15 105.782 0.023 A 50 LYS H H 1 7.991 0.025 A 50 LYS HA H 1 4.336 0.035 A 50 LYS HB2 H 1 2.052 0.023 A 50 LYS HB3 H 1 2.052 0.023 A 50 LYS HE2 H 1 1.355 0.017 A 50 LYS HE3 H 1 1.355 0.017 A 50 LYS C C 13 174.829 0.5 A 50 LYS CA C 13 55.959 0.07 A 50 LYS CB C 13 29.232 0.004 A 50 LYS CG C 13 24.181 0.5 A 50 LYS N N 15 124.329 0.029 A 51 THR H H 1 7.174 0.022 A 51 THR HA H 1 5.774 0.083 A 51 THR HB H 1 3.568 0.04 A 51 THR HG2% H 1 1.114 0.024 A 51 THR C C 13 173.893 0.5 A 51 THR CA C 13 62.217 0.051 A 51 THR CB C 13 73.248 0.085 A 51 THR CG2 C 13 20.844 0.5 A 51 THR N N 15 109.849 0.015 A 52 PHE H H 1 10.338 0.02 A 52 PHE HA H 1 5.693 0.023 A 52 PHE HBy H 1 3.281 0.029 A 52 PHE HBx H 1 3.189 0.025 A 52 PHE HD1 H 1 7.904 0.023 A 52 PHE HD2 H 1 7.904 0.023 A 52 PHE HE1 H 1 7.166 0.073 A 52 PHE HE2 H 1 7.166 0.073 A 52 PHE C C 13 174.361 0.5 A 52 PHE CA C 13 57.26 0.017 A 52 PHE CB C 13 42.13 0.05 A 52 PHE CD1 C 13 132.005 0.131 A 52 PHE CD2 C 13 132.005 0.131 A 52 PHE CE1 C 13 130.358 0.5 A 52 PHE CE2 C 13 130.358 0.5 A 52 PHE N N 15 130.662 0.026 A 53 THR H H 1 9.262 0.022 A 53 THR HA H 1 5.288 0.022 A 53 THR HB H 1 3.933 0.019 A 53 THR HG2% H 1 1.131 0.017 A 53 THR C C 13 172.678 0.5 A 53 THR CA C 13 61.511 0.049 A 53 THR CB C 13 70.861 0.04 A 53 THR CG2 C 13 20.61 0.5 A 53 THR N N 15 118.205 0.074 A 54 VAL H H 1 8.628 0.026 A 54 VAL HA H 1 4.599 0.014 A 54 VAL HB H 1 0.851 0.022 A 54 VAL HGx% H 1 0.341 0.029 A 54 VAL HGy% H 1 -0.588 0.042 A 54 VAL C C 13 174.09 0.5 A 54 VAL CA C 13 59.646 0.042 A 54 VAL CB C 13 32.737 0.062 A 54 VAL CG1 C 13 19.673 0.5 A 54 VAL N N 15 125.183 0.066 A 55 THR H H 1 8.434 0.016 A 55 THR HA H 1 4.951 0.03 A 55 THR HB H 1 4.078 0.03 A 55 THR HG2% H 1 1.327 0.025 A 55 THR C C 13 173.695 0.5 A 55 THR CA C 13 61.219 0.058 A 55 THR CB C 13 71.454 0.055 A 55 THR CG2 C 13 21.078 0.5 A 55 THR N N 15 122.255 0.046 A 56 GLU H H 1 7.972 0.023 A 56 GLU HA H 1 4.327 0.014 A 56 GLU HBy H 1 2.128 0.028 A 56 GLU HBx H 1 2.009 0.012 A 56 GLU CA C 13 58.556 0.5 A 56 GLU CB C 13 31.831 0.5 A 56 GLU N N 15 131.002 0.006 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 HD% A 3 TYR HBy 1.0 2.8 6.0 2 2 A 3 TYR HD% A 45 TYR HE% 1.0 2.8 6.0 3 3 A 29 TYR HD% A 29 TYR HBx 1.0 2.8 6.0 4 4 A 29 TYR HD% A 30 PHE HA 1.0 2.8 6.0 5 5 A 29 TYR HD% A 30 PHE HBx 1.0 2.8 6.0 6 6 A 29 TYR HE% A 18 LYS HBx 1.0 3.3 6.5 7 7 A 29 TYR HE% A 18 LYS HG2 1.0 3.3 6.5 8 7 A 29 TYR HE% A 18 LYS HG3 1.0 3.3 6.5 9 8 A 29 TYR HBx A 29 TYR HE% 1.0 2.8 6.0 10 9 A 30 PHE HD% A 26 ALA HB% 1.0 2.8 6.0 11 10 A 30 PHE HD% A 30 PHE HBy 1.0 2.8 6.0 12 11 A 30 PHE HD% A 33 ILE H 1.0 2.8 6.0 13 12 A 3 TYR HBy A 30 PHE HE1 1.0 2.8 6.0 14 12 A 3 TYR HBy A 30 PHE HE2 1.0 2.8 6.0 15 13 A 30 PHE HE1 A 4 LYS HG2 1.0 2.8 6.0 16 13 A 4 LYS HG3 A 30 PHE HE2 1.0 2.8 6.0 17 13 A 4 LYS HG2 A 30 PHE HE2 1.0 2.8 6.0 18 13 A 4 LYS HG3 A 30 PHE HE1 1.0 2.8 6.0 19 14 A 30 PHE HD% A 30 PHE HE1 1.0 2.8 6.0 20 14 A 30 PHE HD% A 30 PHE HE2 1.0 2.8 6.0 21 15 A 43 TRP HD1 A 43 TRP HBy 1.0 2.8 6.0 22 16 A 43 TRP HE3 A 43 TRP HBx 1.0 2.8 6.0 23 17 A 43 TRP HE3 A 43 TRP HZ3 1.0 2.8 6.0 24 18 A 43 TRP HZ2 A 31 LYS HA 1.0 2.8 6.0 25 19 A 43 TRP HZ2 A 31 LYS HBx 1.0 2.8 6.0 26 20 A 43 TRP HZ3 A 43 TRP HZ2 1.0 2.8 6.0 27 21 A 43 TRP HZ3 A 31 LYS HBy 1.0 2.8 6.0 28 22 A 43 TRP HE3 A 43 TRP HZ3 1.0 2.8 6.0 29 23 A 45 TYR HE% A 45 TYR HBy 1.0 2.8 6.0 30 24 A 30 PHE HD% A 52 PHE HD% 1.0 2.8 6.0 31 25 A 52 PHE HD% A 45 TYR HA 1.0 2.8 6.0 32 26 A 52 PHE HD% A 52 PHE HA 1.0 2.8 6.0 33 27 A 52 PHE HD% A 52 PHE HBx 1.0 1.8 5.5 34 28 A 26 ALA HB% A 3 TYR HBx 1.0 1.8 5.5 35 29 A 6 ILE HA A 5 LEU HBx 1.0 1.8 5.5 36 30 A 8 ASN HBx A 55 THR HG2% 1.0 1.8 4.0 37 31 A 55 THR HG2% A 8 ASN HBy 1.0 1.8 4.0 38 32 A 14 GLU HBx A 7 LEU HD21 1.0 2.8 6.5 39 33 A 7 LEU HD21 A 14 GLU HBy 1.0 2.8 6.5 40 34 A 17 ILE HG2% A 15 GLU HB2 1.0 1.8 3.0 41 34 A 15 GLU HB3 A 17 ILE HG2% 1.0 1.8 3.0 42 35 A 13 LYS HG2 A 15 GLU HG2 1.0 1.8 4.0 43 35 A 15 GLU HG3 A 13 LYS HG2 1.0 1.8 4.0 44 35 A 15 GLU HG3 A 13 LYS HG3 1.0 1.8 4.0 45 35 A 13 LYS HG3 A 15 GLU HG2 1.0 1.8 4.0 46 36 A 6 ILE HD1% A 15 GLU HG2 1.0 1.8 4.0 47 36 A 15 GLU HG3 A 6 ILE HD1% 1.0 1.8 4.0 48 37 A 18 LYS HBx A 17 ILE HA 1.0 1.8 4.0 49 38 A 18 LYS HA A 17 ILE HB 1.0 1.8 5.5 50 39 A 18 LYS HBx A 26 ALA HB% 1.0 2.8 6.0 51 40 A 3 TYR HD% A 23 ALA HA 1.0 2.8 6.5 52 41 A 27 GLU H A 24 GLY HA2 1.0 1.8 5.5 53 41 A 24 GLY HA3 A 27 GLU H 1.0 1.8 5.5 54 42 A 23 ALA HB% A 24 GLY HA2 1.0 1.8 5.5 55 42 A 24 GLY HA3 A 23 ALA HB% 1.0 1.8 5.5 56 43 A 26 ALA HB% A 20 ALA HB% 1.0 2.8 6.5 57 44 A 27 GLU HG2 A 28 LYS HG2 1.0 1.8 4.0 58 44 A 27 GLU HG3 A 28 LYS HG2 1.0 1.8 4.0 59 44 A 28 LYS HG3 A 27 GLU HG2 1.0 1.8 4.0 60 44 A 27 GLU HG3 A 28 LYS HG3 1.0 1.8 4.0 61 45 A 27 GLU HG3 A 31 LYS HG2 1.0 1.8 4.0 62 45 A 27 GLU HG2 A 31 LYS HG2 1.0 1.8 4.0 63 45 A 31 LYS HG3 A 27 GLU HG2 1.0 1.8 4.0 64 45 A 27 GLU HG3 A 31 LYS HG3 1.0 1.8 4.0 65 46 A 43 TRP HZ3 A 27 GLU HG2 1.0 1.8 4.0 66 46 A 43 TRP HZ3 A 27 GLU HG3 1.0 1.8 4.0 67 47 A 29 TYR HBx A 18 LYS HBx 1.0 2.8 6.0 68 48 A 33 ILE HA A 37 LYS HG2 1.0 1.8 4.0 69 48 A 33 ILE HA A 37 LYS HG3 1.0 1.8 4.0 70 49 A 34 ALA HA A 37 LYS HG2 1.0 1.8 4.0 71 49 A 37 LYS HG3 A 34 ALA HA 1.0 1.8 4.0 72 50 A 34 ALA HA A 5 LEU HDy% 1.0 1.8 4.0 73 51 A 5 LEU HDy% A 34 ALA HB% 1.0 1.8 3.0 74 52 A 41 GLY HAx A 40 GLU HBx 1.0 1.8 5.5 75 53 A 41 GLY HAx A 56 GLU HBy 1.0 1.8 5.5 76 54 A 56 GLU HBy A 41 GLY HAy 1.0 1.8 5.5 77 55 A 41 GLY HAy A 42 VAL HGx% 1.0 1.8 5.5 78 56 A 45 TYR HBx A 44 THR HA 1.0 1.8 5.5 79 57 A 46 LYS HA A 47 ASP HBy 1.0 1.8 5.5 80 58 A 46 LYS HBx A 49 ILE H 1.0 1.8 5.5 81 59 A 51 THR HA A 52 PHE HBy 1.0 1.8 5.5 82 60 A 51 THR HA A 4 LYS HBy 1.0 1.8 4.0 83 61 A 6 ILE HA A 53 THR HG2% 1.0 1.8 4.0 84 62 A 55 THR HB A 42 VAL HB 1.0 1.8 5.5 85 63 A 42 VAL HGx% A 55 THR HB 1.0 1.8 5.5 86 64 A 56 GLU HBx A 9 LEU HA 1.0 1.8 5.5 87 65 A 56 GLU HBy A 9 LEU HA 1.0 1.8 4.0 88 66 A 40 GLU HBx A 56 GLU HBy 1.0 1.8 3.0 89 67 A 3 TYR HBy A 18 LYS HG2 1.0 2.8 6.0 90 67 A 3 TYR HBy A 18 LYS HG3 1.0 2.8 6.0 91 68 A 8 ASN HBx A 8 ASN HBy 1.0 1.8 3.0 92 69 A 29 TYR HA A 32 LEU HDx% 1.0 1.8 4.0 93 70 A 43 TRP HE3 A 43 TRP HA 1.0 1.8 5.5 94 71 A 30 PHE HD% A 26 ALA HA 1.0 1.8 5.5 95 72 A 1 THR HA A 1 THR HG2% 1.0 1.8 5.5 96 73 A 1 THR HG2% A 1 THR HB 1.0 1.8 4.0 97 74 A 1 THR HA A 1 THR HG2% 1.0 1.8 3.0 98 75 A 1 THR HG2% A 1 THR HB 1.0 1.8 4.0 99 76 A 2 THR HA A 2 THR HG2% 1.0 1.8 4.0 100 77 A 2 THR HA A 2 THR HB 1.0 1.8 5.5 101 78 A 2 THR HG2% A 2 THR HB 1.0 1.8 3.0 102 79 A 2 THR HB A 2 THR H 1.0 1.8 5.5 103 80 A 2 THR HG2% A 2 THR HB 1.0 1.8 4.0 104 81 A 3 TYR HBx A 3 TYR HA 1.0 1.8 4.0 105 82 A 3 TYR HBy A 3 TYR HA 1.0 1.8 4.0 106 83 A 3 TYR HD% A 3 TYR HA 1.0 1.8 4.0 107 84 A 3 TYR HA A 3 TYR H 1.0 1.8 3.0 108 85 A 3 TYR HBx A 3 TYR HA 1.0 1.8 4.0 109 86 A 3 TYR HBy A 3 TYR HA 1.0 1.8 5.5 110 87 A 3 TYR HBy A 3 TYR HBx 1.0 1.8 3.0 111 88 A 3 TYR HBy A 3 TYR HBx 1.0 1.8 3.0 112 89 A 3 TYR HD% A 3 TYR HBx 1.0 1.8 3.0 113 90 A 3 TYR HD% A 3 TYR HBy 1.0 1.8 3.0 114 91 A 3 TYR HBx A 3 TYR H 1.0 1.8 4.0 115 92 A 3 TYR HBy A 3 TYR H 1.0 1.8 4.0 116 93 A 52 PHE HD% A 3 TYR HBx 1.0 1.8 5.5 117 94 A 4 LYS HBy A 4 LYS HA 1.0 1.8 3.0 118 95 A 4 LYS HA A 4 LYS HG2 1.0 1.8 4.0 119 95 A 4 LYS HG3 A 4 LYS HA 1.0 1.8 4.0 120 96 A 4 LYS HA A 4 LYS H 1.0 1.8 3.0 121 97 A 5 LEU HBx A 4 LYS HA 1.0 1.8 4.0 122 98 A 4 LYS HA A 16 ALA H 1.0 2.8 6.0 123 99 A 17 ILE HA A 4 LYS HA 1.0 1.8 5.5 124 100 A 4 LYS HA A 30 PHE HE1 1.0 1.8 4.0 125 100 A 4 LYS HA A 30 PHE HE2 1.0 1.8 4.0 126 101 A 4 LYS HA A 4 LYS HBx 1.0 1.8 4.0 127 102 A 4 LYS HBy A 4 LYS HA 1.0 1.8 4.0 128 103 A 4 LYS HBy A 4 LYS HBx 1.0 1.8 3.0 129 104 A 4 LYS HBx A 4 LYS HG2 1.0 1.8 4.0 130 104 A 4 LYS HG3 A 4 LYS HBx 1.0 1.8 4.0 131 105 A 4 LYS HBy A 4 LYS HG2 1.0 1.8 4.0 132 105 A 4 LYS HG3 A 4 LYS HBy 1.0 1.8 4.0 133 106 A 4 LYS H A 4 LYS HBx 1.0 1.8 5.5 134 107 A 4 LYS HBy A 4 LYS H 1.0 1.8 4.0 135 108 A 17 ILE HA A 4 LYS HBx 1.0 1.8 5.5 136 109 A 17 ILE HA A 4 LYS HBy 1.0 1.8 5.5 137 110 A 4 LYS HBy A 4 LYS HE2 1.0 1.8 4.0 138 110 A 4 LYS HBy A 4 LYS HE3 1.0 1.8 4.0 139 111 A 4 LYS HE2 A 4 LYS HG2 1.0 1.8 3.0 140 111 A 4 LYS HE3 A 4 LYS HG2 1.0 1.8 3.0 141 111 A 4 LYS HG3 A 4 LYS HE2 1.0 1.8 3.0 142 111 A 4 LYS HG3 A 4 LYS HE3 1.0 1.8 3.0 143 112 A 4 LYS HBy A 4 LYS HG2 1.0 1.8 4.0 144 112 A 4 LYS HG3 A 4 LYS HBy 1.0 1.8 4.0 145 113 A 4 LYS HE2 A 4 LYS HG2 1.0 1.8 5.5 146 113 A 4 LYS HE3 A 4 LYS HG2 1.0 1.8 5.5 147 113 A 4 LYS HG3 A 4 LYS HE2 1.0 1.8 5.5 148 113 A 4 LYS HG3 A 4 LYS HE3 1.0 1.8 5.5 149 114 A 5 LEU HA A 5 LEU H 1.0 1.8 5.5 150 115 A 52 PHE HBy A 5 LEU HA 1.0 1.8 5.5 151 116 A 5 LEU HBx A 5 LEU HA 1.0 1.8 5.5 152 117 A 5 LEU HA A 5 LEU HBy 1.0 1.8 4.0 153 118 A 5 LEU HBx A 5 LEU HBy 1.0 1.8 3.0 154 119 A 5 LEU HBx A 5 LEU HBy 1.0 1.8 3.0 155 120 A 5 LEU HBx A 5 LEU HBy 1.0 1.8 3.0 156 121 A 5 LEU HBx A 5 LEU HDx% 1.0 1.8 4.0 157 122 A 5 LEU HBy A 5 LEU HDx% 1.0 1.8 4.0 158 123 A 5 LEU HBx A 5 LEU HDy% 1.0 1.8 4.0 159 124 A 5 LEU HDy% A 5 LEU HBy 1.0 1.8 4.0 160 125 A 5 LEU HBx A 5 LEU HG 1.0 1.8 4.0 161 126 A 5 LEU HBy A 5 LEU HG 1.0 1.8 4.0 162 127 A 5 LEU HBx A 5 LEU H 1.0 1.8 4.0 163 128 A 5 LEU H A 5 LEU HBy 1.0 1.8 4.0 164 129 A 5 LEU HBx A 15 GLU HA 1.0 2.8 6.0 165 130 A 5 LEU HBx A 30 PHE HE1 1.0 2.8 6.0 166 130 A 5 LEU HBx A 30 PHE HE2 1.0 2.8 6.0 167 131 A 5 LEU HBy A 30 PHE HE1 1.0 1.8 5.5 168 131 A 5 LEU HBy A 30 PHE HE2 1.0 1.8 5.5 169 132 A 6 ILE HA A 6 ILE HB 1.0 1.8 4.0 170 133 A 6 ILE HA A 6 ILE HD1% 1.0 1.8 3.0 171 134 A 6 ILE HA A 6 ILE H 1.0 1.8 4.0 172 135 A 6 ILE HA A 7 LEU H 1.0 1.8 3.0 173 136 A 6 ILE HA A 6 ILE HB 1.0 2.8 6.0 174 137 A 6 ILE HD1% A 6 ILE HB 1.0 1.8 3.0 175 138 A 6 ILE HB A 6 ILE H 1.0 1.8 4.0 176 139 A 6 ILE HB A 53 THR HA 1.0 1.8 4.0 177 140 A 6 ILE HA A 6 ILE HD1% 1.0 1.8 5.5 178 141 A 6 ILE HD1% A 6 ILE HB 1.0 1.8 5.5 179 142 A 7 LEU HA A 54 VAL HGx% 1.0 1.8 4.0 180 143 A 7 LEU HA A 7 LEU HBx 1.0 1.8 4.0 181 144 A 7 LEU HA A 7 LEU HBy 1.0 1.8 4.0 182 145 A 7 LEU HD21 A 7 LEU HA 1.0 1.8 4.0 183 146 A 7 LEU H A 7 LEU HA 1.0 1.8 3.0 184 147 A 7 LEU HA A 54 VAL H 1.0 1.8 5.5 185 148 A 7 LEU HA A 7 LEU HBx 1.0 1.8 4.0 186 149 A 7 LEU HA A 7 LEU HBy 1.0 1.8 5.5 187 150 A 7 LEU HBx A 7 LEU HBy 1.0 1.8 4.0 188 151 A 7 LEU HBx A 7 LEU HBy 1.0 1.8 3.0 189 152 A 7 LEU HD21 A 7 LEU HBx 1.0 1.8 4.0 190 153 A 7 LEU HD21 A 7 LEU HBy 1.0 2.8 6.0 191 154 A 7 LEU H A 7 LEU HBx 1.0 1.8 4.0 192 155 A 7 LEU H A 7 LEU HBy 1.0 1.8 5.5 193 156 A 7 LEU HBx A 14 GLU H 1.0 1.8 4.0 194 157 A 7 LEU HBy A 14 GLU H 1.0 1.8 5.5 195 158 A 54 VAL HGx% A 7 LEU HBy 1.0 1.8 5.5 196 159 A 8 ASN HBx A 8 ASN HA 1.0 1.8 5.5 197 160 A 8 ASN HBy A 8 ASN HA 1.0 1.8 5.5 198 161 A 8 ASN HA A 8 ASN H 1.0 1.8 5.5 199 162 A 8 ASN HA A 9 LEU H 1.0 1.8 3.0 200 163 A 8 ASN HBx A 8 ASN HA 1.0 1.8 4.0 201 164 A 8 ASN HBy A 8 ASN HA 1.0 1.8 5.5 202 165 A 8 ASN HBx A 8 ASN HD2y 1.0 1.8 4.0 203 166 A 8 ASN HBy A 8 ASN HD2y 1.0 1.8 4.0 204 167 A 8 ASN HBx A 8 ASN HD2x 1.0 1.8 4.0 205 168 A 8 ASN HBx A 8 ASN H 1.0 1.8 4.0 206 169 A 8 ASN HBy A 8 ASN H 1.0 1.8 4.0 207 170 A 8 ASN HBx A 55 THR HA 1.0 1.8 4.0 208 171 A 8 ASN HBy A 55 THR HA 1.0 1.8 4.0 209 172 A 9 LEU HA A 9 LEU HBx 1.0 1.8 4.0 210 173 A 9 LEU HA A 9 LEU HBy 1.0 1.8 4.0 211 174 A 9 LEU HA A 10 LYS H 1.0 1.8 5.5 212 175 A 9 LEU HA A 9 LEU HBx 1.0 1.8 5.5 213 176 A 9 LEU HA A 9 LEU HBy 1.0 1.8 4.0 214 177 A 9 LEU HBx A 9 LEU HBy 1.0 1.8 5.5 215 178 A 9 LEU HBx A 9 LEU HBy 1.0 1.8 3.0 216 179 A 9 LEU HBx A 9 LEU HDx% 1.0 1.8 3.0 217 180 A 9 LEU HBy A 9 LEU HDx% 1.0 1.8 4.0 218 181 A 9 LEU HBx A 9 LEU HG 1.0 1.8 4.0 219 182 A 9 LEU HBy A 9 LEU HG 1.0 1.8 4.0 220 183 A 9 LEU H A 9 LEU HBx 1.0 2.8 6.0 221 184 A 9 LEU H A 9 LEU HBy 1.0 1.8 5.5 222 185 A 9 LEU HBx A 10 LYS H 1.0 1.8 5.5 223 186 A 9 LEU HBy A 10 LYS H 1.0 1.8 4.0 224 187 A 9 LEU HBy A 9 LEU HDx% 1.0 1.8 4.0 225 188 A 9 LEU HDx% A 9 LEU HG 1.0 1.8 5.5 226 189 A 9 LEU HBx A 9 LEU HG 1.0 1.8 5.5 227 190 A 9 LEU HBy A 9 LEU HG 1.0 2.8 6.0 228 191 A 9 LEU HDx% A 9 LEU HG 1.0 1.8 3.0 229 192 A 9 LEU H A 9 LEU HG 1.0 1.8 4.0 230 193 A 10 LYS HA A 10 LYS HB2 1.0 1.8 3.0 231 193 A 10 LYS HA A 10 LYS HB3 1.0 1.8 3.0 232 194 A 10 LYS HA A 10 LYS HG2 1.0 1.8 4.0 233 194 A 10 LYS HA A 10 LYS HG3 1.0 1.8 4.0 234 195 A 10 LYS H A 10 LYS HA 1.0 1.8 4.0 235 196 A 10 LYS HA A 10 LYS HB2 1.0 1.8 4.0 236 196 A 10 LYS HA A 10 LYS HB3 1.0 1.8 4.0 237 197 A 10 LYS HB2 A 10 LYS HE2 1.0 1.8 5.5 238 197 A 10 LYS HB3 A 10 LYS HE2 1.0 1.8 5.5 239 197 A 10 LYS HE3 A 10 LYS HB2 1.0 1.8 5.5 240 197 A 10 LYS HB3 A 10 LYS HE3 1.0 1.8 5.5 241 198 A 10 LYS HB3 A 10 LYS HG2 1.0 1.8 3.0 242 198 A 10 LYS HB2 A 10 LYS HG2 1.0 1.8 3.0 243 198 A 10 LYS HG3 A 10 LYS HB2 1.0 1.8 3.0 244 198 A 10 LYS HB3 A 10 LYS HG3 1.0 1.8 3.0 245 199 A 10 LYS H A 10 LYS HB2 1.0 1.8 4.0 246 199 A 10 LYS H A 10 LYS HB3 1.0 1.8 4.0 247 200 A 11 GLN H A 10 LYS HB2 1.0 1.8 5.5 248 200 A 10 LYS HB3 A 11 GLN H 1.0 1.8 5.5 249 201 A 10 LYS HB3 A 10 LYS HG2 1.0 1.8 5.5 250 201 A 10 LYS HB2 A 10 LYS HG2 1.0 1.8 5.5 251 201 A 10 LYS HG3 A 10 LYS HB2 1.0 1.8 5.5 252 201 A 10 LYS HB3 A 10 LYS HG3 1.0 1.8 5.5 253 202 A 11 GLN HA A 11 GLN HBx 1.0 1.8 3.0 254 203 A 11 GLN HA A 11 GLN HBy 1.0 1.8 3.0 255 204 A 11 GLN HA A 11 GLN HE2y 1.0 1.8 4.0 256 205 A 11 GLN HA A 11 GLN HG2 1.0 1.8 4.0 257 205 A 11 GLN HA A 11 GLN HG3 1.0 1.8 4.0 258 206 A 11 GLN H A 11 GLN HA 1.0 1.8 4.0 259 207 A 11 GLN HA A 12 ALA H 1.0 1.8 4.0 260 208 A 11 GLN HA A 11 GLN HBx 1.0 1.8 4.0 261 209 A 11 GLN HA A 11 GLN HBy 1.0 1.8 4.0 262 210 A 11 GLN HBx A 11 GLN HBy 1.0 1.8 3.0 263 211 A 11 GLN HBx A 11 GLN HBy 1.0 1.8 3.0 264 212 A 11 GLN HBx A 11 GLN HG2 1.0 2.8 6.0 265 212 A 11 GLN HBx A 11 GLN HG3 1.0 2.8 6.0 266 213 A 11 GLN HBy A 11 GLN HG2 1.0 1.8 5.5 267 213 A 11 GLN HBy A 11 GLN HG3 1.0 1.8 5.5 268 214 A 11 GLN H A 11 GLN HBx 1.0 2.8 6.0 269 215 A 11 GLN HA A 11 GLN HG2 1.0 1.8 4.0 270 215 A 11 GLN HA A 11 GLN HG3 1.0 1.8 4.0 271 216 A 11 GLN HBx A 11 GLN HG2 1.0 1.8 3.0 272 216 A 11 GLN HBx A 11 GLN HG3 1.0 1.8 3.0 273 217 A 11 GLN HBy A 11 GLN HG2 1.0 1.8 3.0 274 217 A 11 GLN HBy A 11 GLN HG3 1.0 1.8 3.0 275 218 A 11 GLN H A 11 GLN HG2 1.0 2.8 6.0 276 218 A 11 GLN H A 11 GLN HG3 1.0 2.8 6.0 277 219 A 12 ALA HA A 12 ALA HB% 1.0 1.8 3.0 278 220 A 12 ALA H A 12 ALA HA 1.0 1.8 4.0 279 221 A 12 ALA HA A 13 LYS H 1.0 1.8 3.0 280 222 A 12 ALA HA A 12 ALA HB% 1.0 1.8 3.0 281 223 A 12 ALA H A 12 ALA HB% 1.0 2.8 6.0 282 224 A 12 ALA HB% A 13 LYS H 1.0 1.8 4.0 283 225 A 9 LEU H A 13 LYS HA 1.0 1.8 4.0 284 226 A 13 LYS HA A 13 LYS HB2 1.0 1.8 3.0 285 226 A 13 LYS HA A 13 LYS HB3 1.0 1.8 3.0 286 227 A 13 LYS HA A 13 LYS HG2 1.0 1.8 4.0 287 227 A 13 LYS HG3 A 13 LYS HA 1.0 1.8 4.0 288 228 A 13 LYS H A 13 LYS HA 1.0 1.8 4.0 289 229 A 14 GLU H A 13 LYS HA 1.0 1.8 3.0 290 230 A 13 LYS HA A 13 LYS HB2 1.0 1.8 3.0 291 230 A 13 LYS HA A 13 LYS HB3 1.0 1.8 3.0 292 231 A 13 LYS HB2 A 13 LYS HG2 1.0 1.8 3.0 293 231 A 13 LYS HB3 A 13 LYS HG2 1.0 1.8 3.0 294 231 A 13 LYS HG3 A 13 LYS HB2 1.0 1.8 3.0 295 231 A 13 LYS HG3 A 13 LYS HB3 1.0 1.8 3.0 296 232 A 13 LYS H A 13 LYS HB2 1.0 1.8 5.5 297 232 A 13 LYS H A 13 LYS HB3 1.0 1.8 5.5 298 233 A 14 GLU H A 13 LYS HB2 1.0 1.8 5.5 299 233 A 14 GLU H A 13 LYS HB3 1.0 1.8 5.5 300 234 A 13 LYS HB2 A 13 LYS HG2 1.0 1.8 3.0 301 234 A 13 LYS HB3 A 13 LYS HG2 1.0 1.8 3.0 302 234 A 13 LYS HG3 A 13 LYS HB2 1.0 1.8 3.0 303 234 A 13 LYS HG3 A 13 LYS HB3 1.0 1.8 3.0 304 235 A 14 GLU HBx A 14 GLU HA 1.0 2.8 6.0 305 236 A 14 GLU HBy A 14 GLU HA 1.0 1.8 5.5 306 237 A 14 GLU HBx A 14 GLU HBy 1.0 1.8 4.0 307 238 A 14 GLU HBx A 14 GLU HBy 1.0 1.8 3.0 308 239 A 14 GLU HBx A 14 GLU H 1.0 2.8 6.0 309 240 A 14 GLU HBy A 14 GLU H 1.0 1.8 4.0 310 241 A 5 LEU HG A 15 GLU HA 1.0 1.8 5.5 311 242 A 6 ILE HA A 15 GLU HA 1.0 1.8 4.0 312 243 A 7 LEU HD21 A 15 GLU HA 1.0 1.8 5.5 313 244 A 15 GLU HA A 7 LEU H 1.0 1.8 5.5 314 245 A 15 GLU HA A 15 GLU HB2 1.0 1.8 4.0 315 245 A 15 GLU HB3 A 15 GLU HA 1.0 1.8 4.0 316 246 A 15 GLU HA A 15 GLU HG2 1.0 1.8 4.0 317 246 A 15 GLU HG3 A 15 GLU HA 1.0 1.8 4.0 318 247 A 15 GLU HA A 15 GLU H 1.0 1.8 4.0 319 248 A 16 ALA H A 15 GLU HA 1.0 1.8 3.0 320 249 A 15 GLU HA A 15 GLU HB2 1.0 1.8 5.5 321 249 A 15 GLU HB3 A 15 GLU HA 1.0 1.8 5.5 322 250 A 15 GLU HB2 A 15 GLU HG2 1.0 1.8 3.0 323 250 A 15 GLU HB3 A 15 GLU HG2 1.0 1.8 3.0 324 250 A 15 GLU HG3 A 15 GLU HB2 1.0 1.8 3.0 325 250 A 15 GLU HB3 A 15 GLU HG3 1.0 1.8 3.0 326 251 A 15 GLU H A 15 GLU HB2 1.0 1.8 5.5 327 251 A 15 GLU HB3 A 15 GLU H 1.0 1.8 5.5 328 252 A 16 ALA H A 15 GLU HB2 1.0 1.8 5.5 329 252 A 15 GLU HB3 A 16 ALA H 1.0 1.8 5.5 330 253 A 15 GLU HA A 15 GLU HG2 1.0 1.8 5.5 331 253 A 15 GLU HG3 A 15 GLU HA 1.0 1.8 5.5 332 254 A 15 GLU HB2 A 15 GLU HG2 1.0 1.8 3.0 333 254 A 15 GLU HB3 A 15 GLU HG2 1.0 1.8 3.0 334 254 A 15 GLU HG3 A 15 GLU HB2 1.0 1.8 3.0 335 254 A 15 GLU HB3 A 15 GLU HG3 1.0 1.8 3.0 336 255 A 15 GLU H A 15 GLU HG2 1.0 1.8 4.0 337 255 A 15 GLU HG3 A 15 GLU H 1.0 1.8 4.0 338 256 A 7 LEU HD21 A 16 ALA HB% 1.0 2.8 6.0 339 257 A 16 ALA HB% A 16 ALA HA 1.0 1.8 3.0 340 258 A 16 ALA H A 16 ALA HB% 1.0 1.8 4.0 341 259 A 16 ALA HB% A 17 ILE H 1.0 1.8 3.0 342 260 A 17 ILE HA A 5 LEU H 1.0 1.8 5.5 343 261 A 17 ILE HA A 17 ILE HB 1.0 1.8 4.0 344 262 A 17 ILE HA A 17 ILE HG12 1.0 1.8 5.5 345 262 A 17 ILE HA A 17 ILE HG13 1.0 1.8 5.5 346 263 A 17 ILE HG2% A 17 ILE HA 1.0 1.8 4.0 347 264 A 17 ILE HA A 17 ILE H 1.0 1.8 4.0 348 265 A 17 ILE HA A 18 LYS H 1.0 1.8 3.0 349 266 A 17 ILE HA A 30 PHE HE1 1.0 1.8 4.0 350 266 A 17 ILE HA A 30 PHE HE2 1.0 1.8 4.0 351 267 A 17 ILE HA A 17 ILE HB 1.0 1.8 4.0 352 268 A 17 ILE HB A 17 ILE HD1% 1.0 1.8 5.5 353 269 A 17 ILE HB A 17 ILE HG12 1.0 1.8 5.5 354 269 A 17 ILE HB A 17 ILE HG13 1.0 1.8 5.5 355 270 A 17 ILE HG2% A 17 ILE HB 1.0 1.8 3.0 356 271 A 17 ILE HB A 17 ILE H 1.0 2.8 6.0 357 272 A 17 ILE HB A 18 LYS H 1.0 1.8 4.0 358 273 A 17 ILE HD1% A 17 ILE HG12 1.0 1.8 5.5 359 273 A 17 ILE HG13 A 17 ILE HD1% 1.0 1.8 5.5 360 274 A 17 ILE HG2% A 17 ILE HD1% 1.0 1.8 5.5 361 275 A 17 ILE HD1% A 17 ILE HG12 1.0 1.8 5.5 362 275 A 17 ILE HG13 A 17 ILE HD1% 1.0 1.8 5.5 363 276 A 17 ILE HG2% A 17 ILE HG12 1.0 1.8 5.5 364 276 A 17 ILE HG2% A 17 ILE HG13 1.0 1.8 5.5 365 277 A 17 ILE H A 17 ILE HG12 1.0 1.8 4.0 366 277 A 17 ILE H A 17 ILE HG13 1.0 1.8 4.0 367 278 A 17 ILE HG2% A 17 ILE HA 1.0 1.8 4.0 368 279 A 17 ILE HG2% A 17 ILE HD1% 1.0 1.8 3.0 369 280 A 18 LYS HBx A 18 LYS HA 1.0 1.8 3.0 370 281 A 18 LYS HA A 18 LYS HG2 1.0 1.8 4.0 371 281 A 18 LYS HG3 A 18 LYS HA 1.0 1.8 4.0 372 282 A 18 LYS HA A 18 LYS H 1.0 1.8 4.0 373 283 A 18 LYS HA A 19 GLU H 1.0 1.8 3.0 374 284 A 18 LYS HA A 30 PHE HE1 1.0 2.8 6.0 375 284 A 18 LYS HA A 30 PHE HE2 1.0 2.8 6.0 376 285 A 18 LYS HBx A 18 LYS HA 1.0 1.8 4.0 377 286 A 18 LYS HA A 18 LYS HBy 1.0 1.8 4.0 378 287 A 18 LYS HBx A 18 LYS HBy 1.0 1.8 3.0 379 288 A 18 LYS HBx A 18 LYS HBy 1.0 1.8 3.0 380 289 A 18 LYS HBx A 18 LYS HD2 1.0 2.8 6.0 381 289 A 18 LYS HBx A 18 LYS HD3 1.0 2.8 6.0 382 290 A 18 LYS HBx A 18 LYS HG2 1.0 1.8 4.0 383 290 A 18 LYS HBx A 18 LYS HG3 1.0 1.8 4.0 384 291 A 18 LYS HBy A 18 LYS HG2 1.0 1.8 4.0 385 291 A 18 LYS HG3 A 18 LYS HBy 1.0 1.8 4.0 386 292 A 18 LYS HBx A 18 LYS H 1.0 2.8 6.0 387 293 A 18 LYS H A 18 LYS HBy 1.0 1.8 5.5 388 294 A 18 LYS HBx A 30 PHE HD% 1.0 2.8 6.0 389 295 A 30 PHE HD% A 18 LYS HBy 1.0 2.8 6.0 390 296 A 18 LYS HBx A 30 PHE HE1 1.0 2.8 6.0 391 296 A 18 LYS HBx A 30 PHE HE2 1.0 2.8 6.0 392 297 A 18 LYS HBy A 30 PHE HE2 1.0 2.8 6.0 393 297 A 18 LYS HBy A 30 PHE HE1 1.0 2.8 6.0 394 298 A 18 LYS HBx A 18 LYS HD2 1.0 1.8 4.0 395 298 A 18 LYS HBx A 18 LYS HD3 1.0 1.8 4.0 396 299 A 18 LYS H A 18 LYS HD2 1.0 2.8 6.0 397 299 A 18 LYS H A 18 LYS HD3 1.0 2.8 6.0 398 300 A 18 LYS HBx A 18 LYS HG2 1.0 1.8 5.5 399 300 A 18 LYS HBx A 18 LYS HG3 1.0 1.8 5.5 400 301 A 18 LYS HBy A 18 LYS HG2 1.0 1.8 5.5 401 301 A 18 LYS HG3 A 18 LYS HBy 1.0 1.8 5.5 402 302 A 18 LYS HD2 A 18 LYS HG2 1.0 1.8 5.5 403 302 A 18 LYS HD3 A 18 LYS HG2 1.0 1.8 5.5 404 302 A 18 LYS HG3 A 18 LYS HD2 1.0 1.8 5.5 405 302 A 18 LYS HG3 A 18 LYS HD3 1.0 1.8 5.5 406 303 A 30 PHE HD% A 18 LYS HG2 1.0 2.8 6.0 407 303 A 18 LYS HG3 A 30 PHE HD% 1.0 2.8 6.0 408 304 A 2 THR HA A 19 GLU HA 1.0 1.8 4.0 409 305 A 19 GLU HA A 19 GLU HB2 1.0 1.8 5.5 410 305 A 19 GLU HA A 19 GLU HB3 1.0 1.8 5.5 411 306 A 19 GLU HA A 20 ALA H 1.0 1.8 4.0 412 307 A 19 GLU HA A 19 GLU HB2 1.0 1.8 4.0 413 307 A 19 GLU HA A 19 GLU HB3 1.0 1.8 4.0 414 308 A 19 GLU H A 19 GLU HB2 1.0 1.8 4.0 415 308 A 19 GLU H A 19 GLU HB3 1.0 1.8 4.0 416 309 A 20 ALA HB% A 20 ALA HA 1.0 1.8 3.0 417 310 A 20 ALA HB% A 20 ALA H 1.0 1.8 5.5 418 311 A 20 ALA HB% A 21 VAL H 1.0 1.8 4.0 419 312 A 20 ALA HB% A 22 ASP H 1.0 1.8 4.0 420 313 A 21 VAL HA A 21 VAL HB 1.0 1.8 3.0 421 314 A 21 VAL HA A 21 VAL HGx% 1.0 1.8 3.0 422 315 A 21 VAL H A 21 VAL HA 1.0 1.8 4.0 423 316 A 22 ASP H A 21 VAL HA 1.0 1.8 5.5 424 317 A 21 VAL HA A 21 VAL HB 1.0 1.8 3.0 425 318 A 21 VAL HB A 21 VAL HGx% 1.0 1.8 3.0 426 319 A 21 VAL H A 21 VAL HB 1.0 1.8 5.5 427 320 A 22 ASP H A 21 VAL HB 1.0 2.8 6.0 428 321 A 21 VAL HA A 21 VAL HGx% 1.0 1.8 4.0 429 322 A 21 VAL HB A 21 VAL HGx% 1.0 1.8 4.0 430 323 A 21 VAL H A 21 VAL HGx% 1.0 1.8 4.0 431 324 A 22 ASP HA A 22 ASP HB2 1.0 1.8 3.0 432 324 A 22 ASP HB3 A 22 ASP HA 1.0 1.8 3.0 433 325 A 23 ALA H A 22 ASP HB2 1.0 1.8 4.0 434 325 A 22 ASP HB3 A 23 ALA H 1.0 1.8 4.0 435 326 A 23 ALA HA A 23 ALA HB% 1.0 1.8 3.0 436 327 A 23 ALA HA A 23 ALA H 1.0 1.8 4.0 437 328 A 23 ALA HA A 26 ALA H 1.0 1.8 4.0 438 329 A 23 ALA HA A 23 ALA HB% 1.0 1.8 3.0 439 330 A 23 ALA HB% A 23 ALA H 1.0 1.8 4.0 440 331 A 23 ALA HB% A 26 ALA H 1.0 1.8 4.0 441 332 A 24 GLY H A 24 GLY HA2 1.0 1.8 3.0 442 332 A 24 GLY HA3 A 24 GLY H 1.0 1.8 3.0 443 333 A 25 THR H A 24 GLY HA2 1.0 1.8 5.5 444 333 A 24 GLY HA3 A 25 THR H 1.0 1.8 5.5 445 334 A 27 GLU HBy A 24 GLY HA2 1.0 1.8 4.0 446 334 A 24 GLY HA3 A 27 GLU HBy 1.0 1.8 4.0 447 335 A 25 THR HA A 25 THR HB 1.0 2.8 6.0 448 336 A 25 THR HA A 25 THR HG2% 1.0 1.8 5.5 449 337 A 25 THR HA A 25 THR HB 1.0 1.8 5.5 450 338 A 25 THR HB A 25 THR HG2% 1.0 1.8 4.0 451 339 A 25 THR H A 25 THR HB 1.0 1.8 5.5 452 340 A 25 THR HA A 25 THR HG2% 1.0 1.8 4.0 453 341 A 25 THR HB A 25 THR HG2% 1.0 1.8 4.0 454 342 A 3 TYR HD% A 26 ALA HA 1.0 1.8 5.5 455 343 A 26 ALA HA A 18 LYS HG2 1.0 2.8 6.0 456 343 A 18 LYS HG3 A 26 ALA HA 1.0 2.8 6.0 457 344 A 26 ALA HB% A 26 ALA HA 1.0 1.8 3.0 458 345 A 26 ALA HA A 26 ALA H 1.0 1.8 4.0 459 346 A 27 GLU H A 26 ALA HA 1.0 1.8 5.5 460 347 A 29 TYR HBx A 26 ALA HA 1.0 1.8 4.0 461 348 A 26 ALA HA A 29 TYR HBy 1.0 1.8 4.0 462 349 A 26 ALA HB% A 26 ALA HA 1.0 1.8 3.0 463 350 A 26 ALA HB% A 26 ALA H 1.0 1.8 3.0 464 351 A 26 ALA HB% A 27 GLU H 1.0 1.8 4.0 465 352 A 26 ALA HB% A 30 PHE HE1 1.0 1.8 4.0 466 352 A 26 ALA HB% A 30 PHE HE2 1.0 1.8 4.0 467 353 A 27 GLU HA A 27 GLU HBx 1.0 1.8 4.0 468 354 A 27 GLU HA A 27 GLU HG2 1.0 1.8 4.0 469 354 A 27 GLU HG3 A 27 GLU HA 1.0 1.8 4.0 470 355 A 27 GLU H A 27 GLU HA 1.0 1.8 4.0 471 356 A 27 GLU HA A 28 LYS H 1.0 1.8 5.5 472 357 A 30 PHE HBx A 27 GLU HA 1.0 1.8 5.5 473 358 A 43 TRP HZ3 A 27 GLU HA 1.0 1.8 4.0 474 359 A 27 GLU HA A 52 PHE HE% 1.0 1.8 5.5 475 360 A 27 GLU HBx A 24 GLY HA2 1.0 1.8 5.5 476 360 A 24 GLY HA3 A 27 GLU HBx 1.0 1.8 5.5 477 361 A 27 GLU HA A 27 GLU HBx 1.0 2.8 6.0 478 362 A 27 GLU HBx A 27 GLU HG2 1.0 1.8 3.0 479 362 A 27 GLU HG3 A 27 GLU HBx 1.0 1.8 3.0 480 363 A 27 GLU H A 27 GLU HBx 1.0 1.8 4.0 481 364 A 27 GLU HBx A 28 LYS H 1.0 1.8 4.0 482 365 A 27 GLU HA A 27 GLU HG2 1.0 1.8 4.0 483 365 A 27 GLU HG3 A 27 GLU HA 1.0 1.8 4.0 484 366 A 27 GLU HBx A 27 GLU HG2 1.0 1.8 3.0 485 366 A 27 GLU HG3 A 27 GLU HBx 1.0 1.8 3.0 486 367 A 27 GLU H A 27 GLU HG2 1.0 2.8 6.0 487 367 A 27 GLU H A 27 GLU HG3 1.0 2.8 6.0 488 368 A 28 LYS H A 27 GLU HG2 1.0 1.8 4.0 489 368 A 27 GLU HG3 A 28 LYS H 1.0 1.8 4.0 490 369 A 28 LYS HA A 28 LYS HB2 1.0 1.8 3.0 491 369 A 28 LYS HA A 28 LYS HB3 1.0 1.8 3.0 492 370 A 28 LYS HA A 28 LYS HE2 1.0 2.8 6.0 493 370 A 28 LYS HA A 28 LYS HE3 1.0 2.8 6.0 494 371 A 28 LYS HA A 28 LYS HG2 1.0 1.8 5.5 495 371 A 28 LYS HG3 A 28 LYS HA 1.0 1.8 5.5 496 372 A 28 LYS H A 28 LYS HA 1.0 2.8 6.0 497 373 A 31 LYS HBx A 28 LYS HA 1.0 1.8 3.0 498 374 A 28 LYS HA A 28 LYS HB2 1.0 1.8 3.0 499 374 A 28 LYS HA A 28 LYS HB3 1.0 1.8 3.0 500 375 A 28 LYS HB2 A 28 LYS HG2 1.0 1.8 3.0 501 375 A 28 LYS HB3 A 28 LYS HG2 1.0 1.8 3.0 502 375 A 28 LYS HG3 A 28 LYS HB2 1.0 1.8 3.0 503 375 A 28 LYS HG3 A 28 LYS HB3 1.0 1.8 3.0 504 376 A 28 LYS H A 28 LYS HB2 1.0 1.8 3.0 505 376 A 28 LYS H A 28 LYS HB3 1.0 1.8 3.0 506 377 A 29 TYR H A 28 LYS HB2 1.0 1.8 5.5 507 377 A 28 LYS HB3 A 29 TYR H 1.0 1.8 5.5 508 378 A 28 LYS HA A 28 LYS HG2 1.0 1.8 4.0 509 378 A 28 LYS HG3 A 28 LYS HA 1.0 1.8 4.0 510 379 A 28 LYS HB2 A 28 LYS HG2 1.0 1.8 3.0 511 379 A 28 LYS HB3 A 28 LYS HG2 1.0 1.8 3.0 512 379 A 28 LYS HG3 A 28 LYS HB2 1.0 1.8 3.0 513 379 A 28 LYS HG3 A 28 LYS HB3 1.0 1.8 3.0 514 380 A 28 LYS HE3 A 28 LYS HG2 1.0 1.8 5.5 515 380 A 28 LYS HE2 A 28 LYS HG2 1.0 1.8 5.5 516 380 A 28 LYS HG3 A 28 LYS HE2 1.0 1.8 5.5 517 380 A 28 LYS HG3 A 28 LYS HE3 1.0 1.8 5.5 518 381 A 29 TYR HBx A 29 TYR HA 1.0 1.8 4.0 519 382 A 29 TYR HA A 29 TYR HBy 1.0 1.8 4.0 520 383 A 29 TYR HA A 29 TYR H 1.0 1.8 4.0 521 384 A 29 TYR HA A 30 PHE H 1.0 1.8 5.5 522 385 A 29 TYR HA A 32 LEU HBy 1.0 1.8 4.0 523 386 A 29 TYR HA A 32 LEU HG 1.0 1.8 4.0 524 387 A 29 TYR HA A 32 LEU H 1.0 1.8 5.5 525 388 A 26 ALA HA A 29 TYR HBy 1.0 1.8 5.5 526 389 A 29 TYR HBx A 29 TYR HA 1.0 1.8 4.0 527 390 A 29 TYR HA A 29 TYR HBy 1.0 1.8 4.0 528 391 A 29 TYR HBx A 29 TYR HBy 1.0 1.8 4.0 529 392 A 29 TYR HBx A 29 TYR HBy 1.0 1.8 3.0 530 393 A 29 TYR HBx A 29 TYR H 1.0 1.8 4.0 531 394 A 29 TYR HBy A 29 TYR H 1.0 2.8 6.0 532 395 A 29 TYR HBx A 30 PHE H 1.0 1.8 4.0 533 396 A 29 TYR HBy A 30 PHE H 1.0 1.8 4.0 534 397 A 30 PHE HA A 30 PHE HBx 1.0 1.8 5.5 535 398 A 30 PHE HA A 30 PHE HBy 1.0 1.8 5.5 536 399 A 30 PHE HA A 30 PHE HD% 1.0 1.8 3.0 537 400 A 30 PHE HA A 30 PHE HE1 1.0 1.8 5.5 538 400 A 30 PHE HA A 30 PHE HE2 1.0 1.8 5.5 539 401 A 30 PHE HA A 30 PHE H 1.0 1.8 4.0 540 402 A 30 PHE HA A 33 ILE HB 1.0 2.8 6.0 541 403 A 30 PHE HBx A 5 LEU HDx% 1.0 1.8 4.0 542 404 A 30 PHE HBx A 5 LEU HDy% 1.0 1.8 4.0 543 405 A 30 PHE HBx A 5 LEU HG 1.0 1.8 5.5 544 406 A 30 PHE HA A 30 PHE HBx 1.0 1.8 4.0 545 407 A 30 PHE HA A 30 PHE HBy 1.0 1.8 4.0 546 408 A 30 PHE HBx A 30 PHE HBy 1.0 1.8 4.0 547 409 A 30 PHE HBx A 30 PHE HBy 1.0 1.8 3.0 548 410 A 30 PHE HBx A 30 PHE HD% 1.0 1.8 4.0 549 411 A 30 PHE HBx A 30 PHE HE1 1.0 1.8 5.5 550 411 A 30 PHE HBx A 30 PHE HE2 1.0 1.8 5.5 551 412 A 30 PHE HBy A 30 PHE HE1 1.0 2.8 6.0 552 412 A 30 PHE HBy A 30 PHE HE2 1.0 2.8 6.0 553 413 A 30 PHE HBx A 30 PHE H 1.0 1.8 5.5 554 414 A 30 PHE HBy A 30 PHE H 1.0 1.8 4.0 555 415 A 30 PHE HBx A 31 LYS HA 1.0 2.8 6.0 556 416 A 30 PHE HBx A 31 LYS H 1.0 1.8 5.5 557 417 A 30 PHE HBx A 43 TRP HZ3 1.0 2.8 5.0 558 418 A 31 LYS HA A 31 LYS HBx 1.0 1.8 4.0 559 419 A 31 LYS HA A 31 LYS HG2 1.0 1.8 4.0 560 419 A 31 LYS HA A 31 LYS HG3 1.0 1.8 4.0 561 420 A 31 LYS HA A 31 LYS H 1.0 1.8 4.0 562 421 A 43 TRP HZ2 A 31 LYS HA 1.0 1.8 5.5 563 422 A 43 TRP HZ3 A 31 LYS HA 1.0 1.8 5.5 564 423 A 31 LYS HBx A 28 LYS HA 1.0 1.8 3.0 565 424 A 31 LYS HA A 31 LYS HBx 1.0 1.8 5.5 566 425 A 31 LYS HA A 31 LYS HBy 1.0 1.8 4.0 567 426 A 31 LYS HBx A 31 LYS HG2 1.0 1.8 4.0 568 426 A 31 LYS HBx A 31 LYS HG3 1.0 1.8 4.0 569 427 A 31 LYS HBy A 31 LYS HG2 1.0 1.8 4.0 570 427 A 31 LYS HBy A 31 LYS HG3 1.0 1.8 4.0 571 428 A 31 LYS HBx A 31 LYS H 1.0 2.8 6.0 572 429 A 31 LYS HBy A 31 LYS H 1.0 1.8 4.0 573 430 A 31 LYS HBx A 32 LEU H 1.0 1.8 4.0 574 431 A 43 TRP HZ2 A 31 LYS HBy 1.0 1.8 5.5 575 432 A 31 LYS HBx A 31 LYS HG2 1.0 1.8 5.5 576 432 A 31 LYS HBx A 31 LYS HG3 1.0 1.8 5.5 577 433 A 32 LEU HA A 32 LEU HBx 1.0 1.8 5.5 578 434 A 32 LEU HBy A 32 LEU HA 1.0 1.8 3.0 579 435 A 32 LEU HDx% A 32 LEU HA 1.0 1.8 3.0 580 436 A 32 LEU HG A 32 LEU HA 1.0 1.8 4.0 581 437 A 32 LEU H A 32 LEU HA 1.0 1.8 4.0 582 438 A 32 LEU HA A 35 ASN HB2 1.0 2.3 6.0 583 438 A 32 LEU HA A 35 ASN HB3 1.0 2.3 6.0 584 439 A 32 LEU HA A 32 LEU HBx 1.0 1.8 4.0 585 440 A 32 LEU HBy A 32 LEU HA 1.0 1.8 4.0 586 441 A 32 LEU HBy A 32 LEU HBx 1.0 1.8 4.0 587 442 A 32 LEU HBy A 32 LEU HBx 1.0 1.8 3.0 588 443 A 32 LEU HDx% A 32 LEU HBx 1.0 1.8 3.0 589 444 A 32 LEU HDx% A 32 LEU HBy 1.0 1.8 4.0 590 445 A 32 LEU HG A 32 LEU HBx 1.0 1.8 4.0 591 446 A 32 LEU HBy A 32 LEU HG 1.0 1.8 5.5 592 447 A 32 LEU H A 32 LEU HBx 1.0 1.8 5.5 593 448 A 32 LEU HBy A 32 LEU H 1.0 1.8 5.5 594 449 A 33 ILE H A 32 LEU HBx 1.0 1.8 4.0 595 450 A 33 ILE H A 32 LEU HBy 1.0 1.8 5.5 596 451 A 32 LEU HDx% A 32 LEU HA 1.0 1.8 5.5 597 452 A 32 LEU HDx% A 32 LEU HBy 1.0 2.8 6.0 598 453 A 32 LEU HG A 32 LEU HA 1.0 2.8 6.0 599 454 A 32 LEU HBy A 32 LEU HG 1.0 1.8 3.0 600 455 A 32 LEU HDx% A 32 LEU HG 1.0 1.8 5.5 601 456 A 32 LEU HG A 32 LEU H 1.0 1.8 5.5 602 457 A 33 ILE HA A 33 ILE HB 1.0 1.8 4.0 603 458 A 33 ILE HA A 33 ILE HD1% 1.0 1.8 3.0 604 459 A 33 ILE H A 33 ILE HA 1.0 1.8 4.0 605 460 A 33 ILE HA A 34 ALA H 1.0 1.8 4.0 606 461 A 33 ILE HA A 36 ALA HB% 1.0 1.8 5.5 607 462 A 30 PHE HA A 33 ILE HB 1.0 1.8 4.0 608 463 A 33 ILE HA A 33 ILE HB 1.0 1.8 4.0 609 464 A 33 ILE HB A 33 ILE HD1% 1.0 1.8 3.0 610 465 A 33 ILE H A 33 ILE HB 1.0 1.8 4.0 611 466 A 33 ILE HB A 34 ALA H 1.0 1.8 4.0 612 467 A 33 ILE HB A 33 ILE HD1% 1.0 1.8 3.0 613 468 A 34 ALA HA A 34 ALA HB% 1.0 1.8 3.0 614 469 A 34 ALA HA A 34 ALA H 1.0 1.8 4.0 615 470 A 34 ALA HA A 37 LYS HB2 1.0 1.8 5.5 616 470 A 34 ALA HA A 37 LYS HB3 1.0 1.8 5.5 617 471 A 34 ALA HA A 37 LYS H 1.0 1.8 5.5 618 472 A 31 LYS HA A 34 ALA HB% 1.0 1.8 5.5 619 473 A 34 ALA HA A 34 ALA HB% 1.0 1.8 4.0 620 474 A 34 ALA HB% A 34 ALA H 1.0 1.8 3.0 621 475 A 43 TRP HZ2 A 34 ALA HB% 1.0 2.8 6.0 622 476 A 43 TRP HZ3 A 34 ALA HB% 1.0 2.8 6.0 623 477 A 35 ASN HA A 35 ASN HB2 1.0 1.8 5.5 624 477 A 35 ASN HB3 A 35 ASN HA 1.0 1.8 5.5 625 478 A 32 LEU HA A 35 ASN HB2 1.0 2.8 6.0 626 478 A 32 LEU HA A 35 ASN HB3 1.0 2.8 6.0 627 479 A 35 ASN HA A 35 ASN HB2 1.0 1.8 5.5 628 479 A 35 ASN HB3 A 35 ASN HA 1.0 1.8 5.5 629 480 A 35 ASN HD2x A 35 ASN HB2 1.0 1.8 4.0 630 480 A 35 ASN HB3 A 35 ASN HD2x 1.0 1.8 4.0 631 481 A 36 ALA HB% A 36 ALA HA 1.0 1.8 3.0 632 482 A 36 ALA HA A 36 ALA H 1.0 1.8 4.0 633 483 A 36 ALA HB% A 36 ALA HA 1.0 1.8 3.0 634 484 A 36 ALA HB% A 36 ALA H 1.0 1.8 5.5 635 485 A 37 LYS HA A 37 LYS HB2 1.0 1.8 5.5 636 485 A 37 LYS HB3 A 37 LYS HA 1.0 1.8 5.5 637 486 A 37 LYS HA A 37 LYS HG2 1.0 1.8 4.0 638 486 A 37 LYS HG3 A 37 LYS HA 1.0 1.8 4.0 639 487 A 37 LYS HB2 A 37 LYS HG2 1.0 1.8 4.0 640 487 A 37 LYS HB3 A 37 LYS HG2 1.0 1.8 4.0 641 487 A 37 LYS HG3 A 37 LYS HB2 1.0 1.8 4.0 642 487 A 37 LYS HG3 A 37 LYS HB3 1.0 1.8 4.0 643 488 A 37 LYS H A 37 LYS HB2 1.0 1.8 4.0 644 488 A 37 LYS HB3 A 37 LYS H 1.0 1.8 4.0 645 489 A 37 LYS HA A 37 LYS HG2 1.0 1.8 4.0 646 489 A 37 LYS HG3 A 37 LYS HA 1.0 1.8 4.0 647 490 A 37 LYS HB2 A 37 LYS HG2 1.0 1.8 5.5 648 490 A 37 LYS HB3 A 37 LYS HG2 1.0 1.8 5.5 649 490 A 37 LYS HG3 A 37 LYS HB2 1.0 1.8 5.5 650 490 A 37 LYS HG3 A 37 LYS HB3 1.0 1.8 5.5 651 491 A 37 LYS HE2 A 37 LYS HG2 1.0 2.8 6.0 652 491 A 37 LYS HE3 A 37 LYS HG2 1.0 2.8 6.0 653 491 A 37 LYS HG3 A 37 LYS HE2 1.0 2.8 6.0 654 491 A 37 LYS HG3 A 37 LYS HE3 1.0 2.8 6.0 655 492 A 37 LYS H A 37 LYS HG2 1.0 2.8 6.0 656 492 A 37 LYS HG3 A 37 LYS H 1.0 2.8 6.0 657 493 A 9 LEU HBx A 38 THR HA 1.0 3.8 6.0 658 494 A 9 LEU HDx% A 38 THR HA 1.0 3.8 6.0 659 495 A 38 THR HA A 38 THR HB 1.0 1.8 4.0 660 496 A 38 THR HA A 38 THR H 1.0 1.8 4.0 661 497 A 38 THR HB A 38 THR HG2% 1.0 1.8 4.0 662 498 A 38 THR HB A 38 THR H 1.0 1.8 5.5 663 499 A 38 THR HA A 38 THR HG2% 1.0 1.8 3.0 664 500 A 38 THR HB A 38 THR HG2% 1.0 1.8 5.5 665 501 A 39 VAL HA A 39 VAL HB 1.0 1.8 4.0 666 502 A 39 VAL HA A 39 VAL H 1.0 1.8 4.0 667 503 A 39 VAL HA A 40 GLU H 1.0 1.8 3.0 668 504 A 39 VAL HA A 39 VAL HB 1.0 1.8 4.0 669 505 A 39 VAL HB A 39 VAL H 1.0 1.8 5.5 670 506 A 39 VAL HB A 40 GLU H 1.0 1.8 5.5 671 507 A 40 GLU HBx A 40 GLU HA 1.0 1.8 4.0 672 508 A 40 GLU HBx A 40 GLU HBy 1.0 1.8 4.0 673 509 A 40 GLU HBx A 40 GLU HBy 1.0 1.8 3.0 674 510 A 40 GLU HBx A 40 GLU H 1.0 2.8 6.0 675 511 A 40 GLU H A 40 GLU HBy 1.0 1.8 5.5 676 512 A 40 GLU HBy A 41 GLY H 1.0 1.8 5.5 677 513 A 41 GLY HAx A 41 GLY HAy 1.0 1.8 3.0 678 514 A 41 GLY HAx A 41 GLY HAy 1.0 1.8 3.0 679 515 A 41 GLY HAx A 41 GLY H 1.0 1.8 4.0 680 516 A 41 GLY HAy A 41 GLY H 1.0 2.8 6.0 681 517 A 41 GLY HAx A 42 VAL H 1.0 1.8 3.0 682 518 A 41 GLY HAy A 42 VAL H 1.0 1.8 4.0 683 519 A 41 GLY HAx A 54 VAL HGx% 1.0 1.8 5.5 684 520 A 41 GLY HAy A 54 VAL HGx% 1.0 1.8 4.0 685 521 A 41 GLY HAy A 54 VAL HGy% 1.0 1.8 5.5 686 522 A 42 VAL HB A 42 VAL HA 1.0 1.8 4.0 687 523 A 42 VAL HGx% A 42 VAL HA 1.0 1.8 3.0 688 524 A 42 VAL H A 42 VAL HA 1.0 2.8 6.0 689 525 A 43 TRP HBy A 42 VAL HA 1.0 1.8 4.0 690 526 A 43 TRP HD1 A 42 VAL HA 1.0 1.8 5.5 691 527 A 42 VAL HA A 43 TRP H 1.0 1.8 3.0 692 528 A 42 VAL HB A 42 VAL HA 1.0 1.8 4.0 693 529 A 42 VAL HGx% A 42 VAL HB 1.0 1.8 3.0 694 530 A 42 VAL HB A 42 VAL H 1.0 1.8 4.0 695 531 A 42 VAL HGx% A 42 VAL HB 1.0 1.8 3.0 696 532 A 43 TRP HA A 42 VAL H 1.0 1.8 5.5 697 533 A 43 TRP HBx A 43 TRP HA 1.0 1.8 4.0 698 534 A 43 TRP HBy A 43 TRP HA 1.0 1.8 4.0 699 535 A 43 TRP HD1 A 43 TRP HA 1.0 2.8 6.0 700 536 A 43 TRP HA A 43 TRP H 1.0 1.8 3.0 701 537 A 43 TRP HA A 54 VAL HA 1.0 1.8 4.0 702 538 A 43 TRP HBx A 43 TRP HA 1.0 2.8 6.0 703 539 A 43 TRP HBy A 43 TRP HA 1.0 1.8 4.0 704 540 A 43 TRP HBy A 43 TRP HBx 1.0 1.8 3.0 705 541 A 43 TRP HBy A 43 TRP HBx 1.0 1.8 3.0 706 542 A 43 TRP HD1 A 43 TRP HBx 1.0 2.8 6.0 707 543 A 43 TRP HD1 A 43 TRP HBy 1.0 2.8 6.0 708 544 A 43 TRP HE3 A 43 TRP HBx 1.0 1.8 4.0 709 545 A 43 TRP HBy A 43 TRP HE3 1.0 1.8 4.0 710 546 A 43 TRP HBx A 43 TRP H 1.0 1.8 3.0 711 547 A 43 TRP HBy A 43 TRP H 1.0 1.8 4.0 712 548 A 43 TRP HBy A 54 VAL HB 1.0 2.8 6.0 713 549 A 44 THR HA A 44 THR H 1.0 2.8 6.0 714 550 A 44 THR HA A 44 THR HB 1.0 1.8 3.0 715 551 A 44 THR HB A 44 THR HG2% 1.0 1.8 3.0 716 552 A 44 THR H A 44 THR HB 1.0 1.8 5.5 717 553 A 44 THR HB A 45 TYR H 1.0 1.8 4.0 718 554 A 44 THR HA A 44 THR HG2% 1.0 1.8 4.0 719 555 A 44 THR HB A 44 THR HG2% 1.0 1.8 3.0 720 556 A 45 TYR HA A 45 TYR HBx 1.0 1.8 5.5 721 557 A 45 TYR HBy A 45 TYR HA 1.0 1.8 5.5 722 558 A 45 TYR HA A 45 TYR H 1.0 2.8 6.0 723 559 A 45 TYR HA A 46 LYS H 1.0 1.8 4.0 724 560 A 45 TYR HA A 52 PHE HA 1.0 1.8 5.5 725 561 A 45 TYR HA A 45 TYR HBx 1.0 1.8 4.0 726 562 A 45 TYR HBy A 45 TYR HA 1.0 1.8 4.0 727 563 A 45 TYR HBy A 45 TYR HBx 1.0 1.8 3.0 728 564 A 45 TYR HBy A 45 TYR HBx 1.0 1.8 3.0 729 565 A 45 TYR HBx A 45 TYR H 1.0 2.8 6.0 730 566 A 45 TYR HBy A 45 TYR H 1.0 1.8 5.5 731 567 A 45 TYR HBy A 46 LYS H 1.0 2.8 6.0 732 568 A 45 TYR HBy A 51 THR HA 1.0 1.8 5.5 733 569 A 45 TYR HBy A 52 PHE HA 1.0 2.8 6.0 734 570 A 46 LYS HA A 46 LYS HBx 1.0 1.8 4.0 735 571 A 46 LYS HA A 46 LYS HBy 1.0 1.8 4.0 736 572 A 46 LYS HA A 46 LYS HE2 1.0 1.8 5.5 737 572 A 46 LYS HA A 46 LYS HE3 1.0 1.8 5.5 738 573 A 46 LYS HA A 46 LYS H 1.0 1.8 4.0 739 574 A 46 LYS HA A 47 ASP H 1.0 1.8 3.0 740 575 A 46 LYS HA A 46 LYS HBx 1.0 1.8 4.0 741 576 A 46 LYS HA A 46 LYS HBy 1.0 1.8 5.5 742 577 A 46 LYS HBx A 46 LYS HBy 1.0 1.8 5.5 743 578 A 46 LYS HBx A 46 LYS HBy 1.0 1.8 3.0 744 579 A 46 LYS HBx A 46 LYS H 1.0 1.8 5.5 745 580 A 46 LYS H A 46 LYS HBy 1.0 2.8 6.0 746 581 A 46 LYS HBx A 46 LYS HE2 1.0 1.8 3.0 747 581 A 46 LYS HBx A 46 LYS HE3 1.0 1.8 3.0 748 582 A 46 LYS HBy A 46 LYS HE2 1.0 1.8 3.0 749 582 A 46 LYS HBy A 46 LYS HE3 1.0 1.8 3.0 750 583 A 45 TYR HE% A 47 ASP HA 1.0 1.8 4.0 751 584 A 47 ASP HA A 47 ASP HBx 1.0 1.8 4.0 752 585 A 47 ASP HBy A 47 ASP HA 1.0 1.8 4.0 753 586 A 47 ASP H A 47 ASP HA 1.0 1.8 5.5 754 587 A 45 TYR HE% A 47 ASP HBx 1.0 1.8 5.5 755 588 A 45 TYR HE% A 47 ASP HBy 1.0 1.8 5.5 756 589 A 47 ASP HA A 47 ASP HBx 1.0 1.8 4.0 757 590 A 47 ASP HBy A 47 ASP HA 1.0 1.8 4.0 758 591 A 47 ASP HBy A 47 ASP HBx 1.0 1.8 3.0 759 592 A 47 ASP H A 47 ASP HBx 1.0 1.8 4.0 760 593 A 47 ASP HBy A 47 ASP H 1.0 1.8 4.0 761 594 A 48 GLU HA A 48 GLU HB2 1.0 1.8 5.5 762 594 A 48 GLU HA A 48 GLU HB3 1.0 1.8 5.5 763 595 A 48 GLU HA A 48 GLU HG2 1.0 2.8 6.0 764 595 A 48 GLU HA A 48 GLU HG3 1.0 2.8 6.0 765 596 A 48 GLU HA A 48 GLU HB2 1.0 1.8 3.0 766 596 A 48 GLU HA A 48 GLU HB3 1.0 1.8 3.0 767 597 A 48 GLU HA A 48 GLU HG2 1.0 1.8 5.5 768 597 A 48 GLU HA A 48 GLU HG3 1.0 1.8 5.5 769 598 A 48 GLU HB3 A 48 GLU HG2 1.0 1.8 3.0 770 598 A 48 GLU HG3 A 48 GLU HB2 1.0 1.8 3.0 771 598 A 48 GLU HB3 A 48 GLU HG3 1.0 1.8 3.0 772 598 A 48 GLU HB2 A 48 GLU HG2 1.0 1.8 3.0 773 599 A 49 ILE HA A 49 ILE HB 1.0 1.8 4.0 774 600 A 49 ILE HA A 49 ILE HD1% 1.0 1.8 4.0 775 601 A 49 ILE HA A 49 ILE HG2% 1.0 1.8 4.0 776 602 A 49 ILE HA A 49 ILE HB 1.0 1.8 3.0 777 603 A 49 ILE HB A 49 ILE HD1% 1.0 1.8 3.0 778 604 A 49 ILE HB A 49 ILE HG2% 1.0 1.8 4.0 779 605 A 49 ILE H A 49 ILE HB 1.0 2.8 6.0 780 606 A 49 ILE HA A 49 ILE HD1% 1.0 1.8 5.5 781 607 A 49 ILE HB A 49 ILE HD1% 1.0 1.8 5.5 782 608 A 49 ILE HD1% A 49 ILE HG2% 1.0 1.8 3.0 783 609 A 49 ILE H A 49 ILE HD1% 1.0 2.8 6.0 784 610 A 49 ILE HA A 49 ILE HG2% 1.0 1.8 5.5 785 611 A 49 ILE HB A 49 ILE HG2% 1.0 1.8 3.0 786 612 A 49 ILE HD1% A 49 ILE HG2% 1.0 1.8 3.0 787 613 A 49 ILE H A 49 ILE HG2% 1.0 2.8 6.0 788 614 A 3 TYR HD% A 50 LYS HA 1.0 1.8 4.0 789 615 A 45 TYR HE% A 50 LYS HA 1.0 1.8 5.5 790 616 A 50 LYS HA A 50 LYS HB2 1.0 1.8 3.0 791 616 A 50 LYS HA A 50 LYS HB3 1.0 1.8 3.0 792 617 A 50 LYS HA A 50 LYS HE2 1.0 1.8 4.0 793 617 A 50 LYS HA A 50 LYS HE3 1.0 1.8 4.0 794 618 A 50 LYS HA A 50 LYS H 1.0 1.8 3.0 795 619 A 50 LYS HA A 50 LYS HB2 1.0 1.8 4.0 796 619 A 50 LYS HA A 50 LYS HB3 1.0 1.8 4.0 797 620 A 50 LYS HB3 A 50 LYS HE2 1.0 1.8 4.0 798 620 A 50 LYS HB2 A 50 LYS HE2 1.0 1.8 4.0 799 620 A 50 LYS HE3 A 50 LYS HB2 1.0 1.8 4.0 800 620 A 50 LYS HB3 A 50 LYS HE3 1.0 1.8 4.0 801 621 A 51 THR HA A 3 TYR HA 1.0 2.8 6.0 802 622 A 51 THR HA A 4 LYS H 1.0 1.8 4.0 803 623 A 51 THR HA A 51 THR HB 1.0 1.8 5.5 804 624 A 51 THR HA A 51 THR HG2% 1.0 1.8 4.0 805 625 A 51 THR HA A 51 THR H 1.0 1.8 4.0 806 626 A 51 THR HA A 51 THR HB 1.0 1.8 5.5 807 627 A 51 THR HB A 51 THR HG2% 1.0 1.8 3.0 808 628 A 51 THR HB A 51 THR H 1.0 1.8 4.0 809 629 A 51 THR HB A 51 THR HG2% 1.0 1.8 5.5 810 630 A 45 TYR HA A 52 PHE HA 1.0 1.8 4.0 811 631 A 45 TYR HE% A 52 PHE HA 1.0 2.8 6.0 812 632 A 52 PHE HA A 46 LYS H 1.0 1.8 5.5 813 633 A 52 PHE HA A 52 PHE HBy 1.0 1.8 4.0 814 634 A 52 PHE HD% A 52 PHE HA 1.0 1.8 5.5 815 635 A 52 PHE HA A 53 THR H 1.0 1.8 3.0 816 636 A 52 PHE HBx A 5 LEU HDx% 1.0 1.8 5.5 817 637 A 52 PHE HBy A 5 LEU HDx% 1.0 1.8 5.5 818 638 A 43 TRP HZ3 A 52 PHE HBx 1.0 2.8 6.0 819 639 A 43 TRP HZ3 A 52 PHE HBy 1.0 2.8 6.0 820 640 A 45 TYR HA A 52 PHE HBx 1.0 1.8 5.5 821 641 A 45 TYR HA A 52 PHE HBy 1.0 1.8 5.5 822 642 A 52 PHE HA A 52 PHE HBx 1.0 1.8 4.0 823 643 A 52 PHE HA A 52 PHE HBy 1.0 1.8 4.0 824 644 A 52 PHE HD% A 52 PHE HBx 1.0 1.8 4.0 825 645 A 52 PHE HD% A 52 PHE HBy 1.0 1.8 4.0 826 646 A 52 PHE HBx A 53 THR H 1.0 1.8 5.5 827 647 A 52 PHE HBy A 53 THR H 1.0 1.8 5.5 828 648 A 6 ILE HB A 53 THR HA 1.0 1.8 4.0 829 649 A 53 THR HA A 53 THR HB 1.0 1.8 4.0 830 650 A 53 THR HG2% A 53 THR HA 1.0 2.8 6.0 831 651 A 53 THR HA A 53 THR H 1.0 1.8 4.0 832 652 A 53 THR HA A 54 VAL H 1.0 1.8 3.0 833 653 A 44 THR HA A 53 THR HB 1.0 1.8 5.5 834 654 A 53 THR HA A 53 THR HB 1.0 1.8 4.0 835 655 A 53 THR HG2% A 53 THR HB 1.0 1.8 4.0 836 656 A 53 THR H A 53 THR HB 1.0 1.8 4.0 837 657 A 54 VAL H A 53 THR HB 1.0 1.8 5.5 838 658 A 42 VAL H A 54 VAL HA 1.0 1.8 3.0 839 659 A 43 TRP HA A 54 VAL HA 1.0 1.8 4.0 840 660 A 43 TRP HBx A 54 VAL HA 1.0 1.8 5.5 841 661 A 43 TRP HD1 A 54 VAL HA 1.0 2.8 6.0 842 662 A 43 TRP H A 54 VAL HA 1.0 1.8 4.0 843 663 A 54 VAL HA A 54 VAL HB 1.0 1.8 4.0 844 664 A 54 VAL HGx% A 54 VAL HA 1.0 1.8 4.0 845 665 A 54 VAL HGy% A 54 VAL HA 1.0 1.8 4.0 846 666 A 54 VAL H A 54 VAL HA 1.0 1.8 4.0 847 667 A 5 LEU HDy% A 54 VAL HB 1.0 1.8 4.0 848 668 A 43 TRP HA A 54 VAL HB 1.0 1.8 5.5 849 669 A 54 VAL HB A 43 TRP HE1 1.0 1.8 5.5 850 670 A 54 VAL HA A 54 VAL HB 1.0 1.8 4.0 851 671 A 54 VAL HGx% A 54 VAL HB 1.0 1.8 4.0 852 672 A 54 VAL HGy% A 54 VAL HB 1.0 1.8 5.5 853 673 A 54 VAL H A 54 VAL HB 1.0 2.8 6.0 854 674 A 41 GLY HAx A 54 VAL HGx% 1.0 1.8 5.5 855 675 A 41 GLY HAy A 54 VAL HGx% 1.0 1.8 4.0 856 676 A 54 VAL HGx% A 54 VAL HA 1.0 1.8 4.0 857 677 A 54 VAL HGx% A 54 VAL HB 1.0 1.8 4.0 858 678 A 55 THR HB A 55 THR HA 1.0 1.8 4.0 859 679 A 55 THR HB A 55 THR HA 1.0 1.8 4.0 860 680 A 55 THR HG2% A 55 THR HB 1.0 1.8 5.5 861 681 A 55 THR HB A 55 THR H 1.0 1.8 4.0 862 682 A 55 THR HB A 56 GLU H 1.0 1.8 5.5 863 683 A 55 THR HG2% A 55 THR HA 1.0 1.8 3.0 864 684 A 55 THR HG2% A 55 THR HB 1.0 1.8 3.0 865 685 A 41 GLY HAy A 56 GLU HA 1.0 1.8 4.0 866 686 A 42 VAL H A 56 GLU HA 1.0 1.8 5.5 867 687 A 56 GLU HBx A 56 GLU HA 1.0 1.8 3.0 868 688 A 56 GLU H A 56 GLU HA 1.0 1.8 4.0 869 689 A 56 GLU HBx A 56 GLU HA 1.0 2.8 6.0 870 690 A 56 GLU HBy A 56 GLU HA 1.0 1.8 4.0 871 691 A 56 GLU HBx A 56 GLU H 1.0 1.8 4.0 872 692 A 56 GLU HBy A 56 GLU H 1.0 1.8 4.0 873 693 A 33 ILE HD1% A 37 LYS HA 1.0 2.8 6.0 874 694 A 7 LEU HD21 A 14 GLU H 1.0 2.8 6.0 875 695 A 16 ALA HB% A 30 PHE HE1 1.0 3.3 6.5 876 696 A 8 ASN H A 54 VAL HB 1.0 2.8 6.0 877 697 A 20 ALA HB% A 26 ALA H 1.0 3.3 6.5 878 698 A 46 LYS HBx A 49 ILE H 1.0 2.8 6.0 879 699 A 49 ILE H A 50 LYS HA 1.0 2.8 6.0 880 700 A 42 VAL HB A 55 THR H 1.0 2.8 6.0 881 701 A 44 THR H A 53 THR HB 1.0 2.8 6.0 882 702 A 26 ALA HB% A 30 PHE H 1.0 2.8 6.0 883 703 A 1 THR HG2% A 2 THR H 1.0 2.8 6.0 884 704 A 2 THR HB A 2 THR H 1.0 2.8 6.0 885 705 A 2 THR HA A 3 TYR H 1.0 1.8 3.0 886 706 A 2 THR HG2% A 3 TYR H 1.0 2.8 6.0 887 707 A 3 TYR HA A 3 TYR H 1.0 2.8 6.0 888 708 A 3 TYR HBx A 3 TYR H 1.0 1.8 5.5 889 709 A 3 TYR HBy A 3 TYR H 1.0 1.8 5.5 890 710 A 3 TYR HD% A 3 TYR H 1.0 1.8 4.0 891 711 A 17 ILE HB A 3 TYR H 1.0 2.8 6.0 892 712 A 3 TYR H A 19 GLU HA 1.0 2.8 6.0 893 713 A 3 TYR HBx A 4 LYS H 1.0 2.8 6.0 894 714 A 3 TYR HBy A 4 LYS H 1.0 2.8 6.0 895 715 A 4 LYS HA A 4 LYS H 1.0 1.8 3.0 896 716 A 4 LYS H A 4 LYS HBx 1.0 1.8 4.0 897 717 A 4 LYS H A 4 LYS HG2 1.0 2.8 6.0 898 717 A 4 LYS HG3 A 4 LYS H 1.0 2.8 6.0 899 718 A 4 LYS H A 30 PHE HE1 1.0 2.8 6.0 900 718 A 4 LYS H A 30 PHE HE2 1.0 2.8 6.0 901 719 A 51 THR HA A 4 LYS H 1.0 1.8 5.5 902 720 A 4 LYS H A 52 PHE H 1.0 2.8 6.0 903 721 A 4 LYS HA A 5 LEU H 1.0 1.8 3.0 904 722 A 4 LYS HBx A 5 LEU H 1.0 2.8 6.0 905 723 A 5 LEU H A 4 LYS HG2 1.0 2.8 6.0 906 723 A 4 LYS HG3 A 5 LEU H 1.0 2.8 6.0 907 724 A 5 LEU HA A 5 LEU H 1.0 2.8 6.0 908 725 A 5 LEU HBx A 5 LEU H 1.0 1.8 4.0 909 726 A 5 LEU H A 5 LEU HBy 1.0 2.8 6.0 910 727 A 5 LEU H A 30 PHE HE1 1.0 2.8 6.0 911 727 A 5 LEU H A 30 PHE HE2 1.0 2.8 6.0 912 728 A 5 LEU HA A 6 ILE H 1.0 1.8 3.0 913 729 A 5 LEU HBx A 6 ILE H 1.0 1.8 5.5 914 730 A 6 ILE HA A 6 ILE H 1.0 2.8 6.0 915 731 A 6 ILE HB A 6 ILE H 1.0 1.8 5.5 916 732 A 6 ILE H A 53 THR HA 1.0 1.8 4.0 917 733 A 7 LEU H A 7 LEU HA 1.0 1.8 3.0 918 734 A 7 LEU H A 7 LEU HBx 1.0 1.8 5.5 919 735 A 7 LEU H A 7 LEU HBy 1.0 1.8 5.5 920 736 A 7 LEU HD21 A 7 LEU H 1.0 1.8 4.0 921 737 A 7 LEU H A 14 GLU H 1.0 2.8 6.0 922 738 A 15 GLU HA A 7 LEU H 1.0 2.8 6.0 923 739 A 7 LEU HA A 8 ASN H 1.0 1.8 3.0 924 740 A 7 LEU HBy A 8 ASN H 1.0 2.8 6.0 925 741 A 8 ASN HA A 8 ASN H 1.0 2.8 6.0 926 742 A 8 ASN HBx A 8 ASN H 1.0 2.8 6.0 927 743 A 8 ASN HBy A 8 ASN H 1.0 2.8 6.0 928 744 A 8 ASN H A 9 LEU H 1.0 2.8 6.0 929 745 A 54 VAL H A 8 ASN H 1.0 2.8 6.0 930 746 A 8 ASN HBx A 8 ASN HD2y 1.0 2.8 6.0 931 747 A 8 ASN HBx A 8 ASN HD2x 1.0 2.8 6.0 932 748 A 8 ASN HBy A 8 ASN HD2y 1.0 2.8 6.0 933 749 A 8 ASN HBy A 8 ASN HD2x 1.0 2.8 6.0 934 750 A 8 ASN HA A 9 LEU H 1.0 1.8 3.0 935 751 A 8 ASN H A 9 LEU H 1.0 2.8 6.0 936 752 A 9 LEU HA A 9 LEU H 1.0 2.8 6.0 937 753 A 9 LEU H A 9 LEU HBx 1.0 1.8 4.0 938 754 A 9 LEU H A 9 LEU HBy 1.0 1.8 5.5 939 755 A 9 LEU H A 9 LEU HDx% 1.0 2.8 6.0 940 756 A 9 LEU H A 9 LEU HG 1.0 1.8 4.0 941 757 A 14 GLU H A 9 LEU H 1.0 2.8 6.0 942 758 A 9 LEU HA A 10 LYS H 1.0 1.8 4.0 943 759 A 10 LYS H A 10 LYS HA 1.0 2.8 6.0 944 760 A 10 LYS H A 10 LYS HB2 1.0 1.8 3.0 945 760 A 10 LYS H A 10 LYS HB3 1.0 1.8 3.0 946 761 A 10 LYS H A 10 LYS HG2 1.0 1.8 5.5 947 761 A 10 LYS H A 10 LYS HG3 1.0 1.8 5.5 948 762 A 10 LYS H A 11 GLN H 1.0 2.8 6.0 949 763 A 11 GLN H A 11 GLN HA 1.0 2.8 6.0 950 764 A 11 GLN H A 11 GLN HBx 1.0 2.8 6.0 951 765 A 11 GLN H A 11 GLN HBy 1.0 1.8 4.0 952 766 A 11 GLN H A 12 ALA H 1.0 1.8 5.5 953 767 A 11 GLN HBx A 11 GLN HE2y 1.0 2.8 6.0 954 768 A 11 GLN HBx A 11 GLN HE2x 1.0 2.8 6.0 955 769 A 11 GLN HBy A 12 ALA H 1.0 1.8 5.5 956 770 A 11 GLN H A 12 ALA H 1.0 1.8 4.0 957 771 A 12 ALA H A 12 ALA HA 1.0 1.8 5.5 958 772 A 12 ALA H A 12 ALA HB% 1.0 2.8 6.0 959 773 A 12 ALA HA A 13 LYS H 1.0 1.8 3.0 960 774 A 13 LYS H A 13 LYS HA 1.0 2.8 6.0 961 775 A 13 LYS H A 13 LYS HB2 1.0 1.8 4.0 962 775 A 13 LYS H A 13 LYS HB3 1.0 1.8 4.0 963 776 A 13 LYS H A 13 LYS HG2 1.0 1.8 4.0 964 776 A 13 LYS HG3 A 13 LYS H 1.0 1.8 4.0 965 777 A 14 GLU H A 8 ASN H 1.0 2.8 6.0 966 778 A 14 GLU H A 9 LEU H 1.0 2.8 6.0 967 779 A 14 GLU H A 13 LYS HA 1.0 1.8 3.0 968 780 A 14 GLU H A 14 GLU HA 1.0 2.8 6.0 969 781 A 14 GLU HBx A 14 GLU H 1.0 1.8 5.5 970 782 A 14 GLU HBy A 14 GLU H 1.0 1.8 4.0 971 783 A 14 GLU HA A 15 GLU H 1.0 1.8 3.0 972 784 A 15 GLU HA A 15 GLU H 1.0 2.8 6.0 973 785 A 15 GLU H A 15 GLU HB2 1.0 1.8 3.0 974 785 A 15 GLU HB3 A 15 GLU H 1.0 1.8 3.0 975 786 A 15 GLU H A 15 GLU HG2 1.0 1.8 3.0 976 786 A 15 GLU HG3 A 15 GLU H 1.0 1.8 3.0 977 787 A 6 ILE HA A 16 ALA H 1.0 2.8 6.0 978 788 A 16 ALA H A 15 GLU HA 1.0 1.8 3.0 979 789 A 16 ALA H A 15 GLU HB2 1.0 2.8 6.0 980 789 A 15 GLU HB3 A 16 ALA H 1.0 2.8 6.0 981 790 A 16 ALA H A 15 GLU H 1.0 2.8 6.0 982 791 A 16 ALA H A 16 ALA HA 1.0 2.8 6.0 983 792 A 16 ALA H A 16 ALA HB% 1.0 1.8 5.5 984 793 A 16 ALA HA A 17 ILE H 1.0 1.8 3.0 985 794 A 16 ALA HB% A 17 ILE H 1.0 1.8 4.0 986 795 A 16 ALA H A 17 ILE H 1.0 2.8 6.0 987 796 A 17 ILE HA A 17 ILE H 1.0 1.8 5.5 988 797 A 17 ILE HB A 17 ILE H 1.0 1.8 5.5 989 798 A 17 ILE H A 17 ILE HG12 1.0 2.8 6.0 990 798 A 17 ILE H A 17 ILE HG13 1.0 2.8 6.0 991 799 A 17 ILE HG2% A 17 ILE H 1.0 2.8 6.0 992 800 A 18 LYS HA A 17 ILE H 1.0 2.8 6.0 993 801 A 17 ILE H A 30 PHE HE1 1.0 2.8 6.0 994 801 A 17 ILE H A 30 PHE HE2 1.0 2.8 6.0 995 802 A 17 ILE HA A 18 LYS H 1.0 1.8 3.0 996 803 A 17 ILE HB A 18 LYS H 1.0 1.8 5.5 997 804 A 18 LYS HA A 18 LYS H 1.0 2.8 6.0 998 805 A 18 LYS HBx A 18 LYS H 1.0 1.8 5.5 999 806 A 18 LYS H A 18 LYS HD2 1.0 1.8 5.5 1000 806 A 18 LYS H A 18 LYS HD3 1.0 1.8 5.5 1001 807 A 18 LYS H A 30 PHE HE1 1.0 2.8 6.0 1002 807 A 18 LYS H A 30 PHE HE2 1.0 2.8 6.0 1003 808 A 18 LYS HA A 19 GLU H 1.0 1.8 3.0 1004 809 A 18 LYS HBx A 19 GLU H 1.0 1.8 5.5 1005 810 A 19 GLU H A 19 GLU HA 1.0 2.8 6.0 1006 811 A 19 GLU H A 19 GLU HB2 1.0 1.8 3.0 1007 811 A 19 GLU H A 19 GLU HB3 1.0 1.8 3.0 1008 812 A 2 THR HA A 20 ALA H 1.0 2.8 6.0 1009 813 A 3 TYR HD% A 20 ALA H 1.0 2.8 6.0 1010 814 A 19 GLU HA A 20 ALA H 1.0 1.8 3.0 1011 815 A 20 ALA H A 19 GLU HB2 1.0 2.8 6.0 1012 815 A 19 GLU HB3 A 20 ALA H 1.0 2.8 6.0 1013 816 A 20 ALA H A 20 ALA HA 1.0 2.8 6.0 1014 817 A 20 ALA HB% A 20 ALA H 1.0 1.8 5.5 1015 818 A 20 ALA HA A 21 VAL H 1.0 1.8 4.0 1016 819 A 20 ALA HB% A 21 VAL H 1.0 1.8 5.5 1017 820 A 21 VAL H A 21 VAL HA 1.0 2.8 6.0 1018 821 A 21 VAL H A 21 VAL HB 1.0 2.8 6.0 1019 822 A 21 VAL H A 21 VAL HGx% 1.0 1.8 4.0 1020 823 A 21 VAL H A 22 ASP H 1.0 2.8 6.0 1021 824 A 22 ASP H A 21 VAL HA 1.0 1.8 4.0 1022 825 A 22 ASP H A 21 VAL HGx% 1.0 1.8 5.5 1023 826 A 21 VAL H A 22 ASP H 1.0 1.8 5.5 1024 827 A 22 ASP H A 22 ASP HA 1.0 2.8 6.0 1025 828 A 22 ASP H A 22 ASP HB2 1.0 2.8 6.0 1026 828 A 22 ASP H A 22 ASP HB3 1.0 2.8 6.0 1027 829 A 22 ASP HA A 23 ALA H 1.0 2.8 6.0 1028 830 A 23 ALA H A 22 ASP HB2 1.0 1.8 3.0 1029 830 A 22 ASP HB3 A 23 ALA H 1.0 1.8 3.0 1030 831 A 22 ASP H A 23 ALA H 1.0 1.8 5.5 1031 832 A 23 ALA HA A 23 ALA H 1.0 1.8 4.0 1032 833 A 23 ALA HB% A 23 ALA H 1.0 1.8 3.0 1033 834 A 23 ALA HA A 24 GLY H 1.0 2.8 6.0 1034 835 A 23 ALA HB% A 24 GLY H 1.0 1.8 4.0 1035 836 A 24 GLY H A 24 GLY HA2 1.0 1.8 3.0 1036 836 A 24 GLY HA3 A 24 GLY H 1.0 1.8 3.0 1037 837 A 24 GLY H A 25 THR H 1.0 1.8 5.5 1038 838 A 25 THR H A 25 THR HA 1.0 1.8 4.0 1039 839 A 25 THR H A 25 THR HB 1.0 1.8 4.0 1040 840 A 25 THR H A 25 THR HG2% 1.0 2.8 6.0 1041 841 A 26 ALA H A 25 THR H 1.0 1.8 4.0 1042 842 A 27 GLU H A 25 THR H 1.0 1.8 4.0 1043 843 A 26 ALA H A 25 THR HA 1.0 1.8 4.0 1044 844 A 26 ALA H A 25 THR HB 1.0 2.8 6.0 1045 845 A 26 ALA H A 25 THR H 1.0 1.8 4.0 1046 846 A 26 ALA HA A 26 ALA H 1.0 1.8 5.5 1047 847 A 26 ALA HB% A 26 ALA H 1.0 1.8 4.0 1048 848 A 27 GLU H A 26 ALA H 1.0 1.8 5.5 1049 849 A 27 GLU H A 24 GLY HA2 1.0 2.8 6.0 1050 849 A 24 GLY HA3 A 27 GLU H 1.0 2.8 6.0 1051 850 A 27 GLU H A 26 ALA HA 1.0 2.8 6.0 1052 851 A 26 ALA HB% A 27 GLU H 1.0 1.8 4.0 1053 852 A 27 GLU H A 27 GLU HA 1.0 2.8 6.0 1054 853 A 27 GLU H A 27 GLU HBx 1.0 1.8 3.0 1055 854 A 27 GLU H A 27 GLU HBy 1.0 1.8 4.0 1056 855 A 27 GLU H A 27 GLU HG2 1.0 2.8 6.0 1057 855 A 27 GLU H A 27 GLU HG3 1.0 2.8 6.0 1058 856 A 27 GLU H A 28 LYS H 1.0 1.8 4.0 1059 857 A 27 GLU H A 52 PHE HE% 1.0 1.8 5.5 1060 858 A 27 GLU HBx A 28 LYS H 1.0 1.8 5.5 1061 859 A 27 GLU H A 28 LYS H 1.0 2.8 6.0 1062 860 A 28 LYS H A 28 LYS HA 1.0 1.8 4.0 1063 861 A 28 LYS H A 28 LYS HB2 1.0 1.8 3.0 1064 861 A 28 LYS H A 28 LYS HB3 1.0 1.8 3.0 1065 862 A 28 LYS H A 28 LYS HE2 1.0 2.8 6.0 1066 862 A 28 LYS H A 28 LYS HE3 1.0 2.8 6.0 1067 863 A 28 LYS H A 28 LYS HG2 1.0 2.8 6.0 1068 863 A 28 LYS HG3 A 28 LYS H 1.0 2.8 6.0 1069 864 A 28 LYS H A 29 TYR H 1.0 2.8 6.0 1070 865 A 28 LYS HA A 29 TYR H 1.0 2.8 6.0 1071 866 A 29 TYR H A 28 LYS HB2 1.0 1.8 5.5 1072 866 A 28 LYS HB3 A 29 TYR H 1.0 1.8 5.5 1073 867 A 28 LYS H A 29 TYR H 1.0 2.8 6.0 1074 868 A 29 TYR HA A 29 TYR H 1.0 2.8 6.0 1075 869 A 29 TYR HBx A 29 TYR H 1.0 1.8 5.5 1076 870 A 29 TYR HBy A 29 TYR H 1.0 1.8 4.0 1077 871 A 29 TYR H A 30 PHE H 1.0 1.8 5.5 1078 872 A 27 GLU HA A 30 PHE H 1.0 1.8 4.0 1079 873 A 28 LYS H A 30 PHE H 1.0 2.8 6.0 1080 874 A 29 TYR H A 30 PHE H 1.0 1.8 4.0 1081 875 A 30 PHE HA A 30 PHE H 1.0 2.8 6.0 1082 876 A 30 PHE HBx A 30 PHE H 1.0 2.8 6.0 1083 877 A 30 PHE HBy A 30 PHE H 1.0 1.8 4.0 1084 878 A 30 PHE HD% A 30 PHE H 1.0 1.8 4.0 1085 879 A 30 PHE H A 32 LEU H 1.0 1.8 4.0 1086 880 A 30 PHE HBy A 31 LYS H 1.0 2.8 6.0 1087 881 A 31 LYS HA A 31 LYS H 1.0 2.8 6.0 1088 882 A 31 LYS HBx A 31 LYS H 1.0 1.8 4.0 1089 883 A 31 LYS H A 31 LYS HG2 1.0 2.8 6.0 1090 883 A 31 LYS HG3 A 31 LYS H 1.0 2.8 6.0 1091 884 A 32 LEU H A 31 LYS H 1.0 2.8 6.0 1092 885 A 43 TRP HZ3 A 31 LYS H 1.0 2.8 6.0 1093 886 A 32 LEU H A 31 LYS H 1.0 2.8 6.0 1094 887 A 32 LEU H A 32 LEU HA 1.0 1.8 4.0 1095 888 A 32 LEU HBy A 32 LEU H 1.0 1.8 4.0 1096 889 A 32 LEU HDx% A 32 LEU H 1.0 2.8 6.0 1097 890 A 32 LEU HG A 32 LEU H 1.0 1.8 3.0 1098 891 A 30 PHE HA A 33 ILE H 1.0 2.8 6.0 1099 892 A 33 ILE H A 32 LEU HA 1.0 2.8 6.0 1100 893 A 33 ILE H A 32 LEU HBy 1.0 2.8 6.0 1101 894 A 33 ILE H A 33 ILE HA 1.0 2.8 6.0 1102 895 A 33 ILE H A 33 ILE HB 1.0 1.8 4.0 1103 896 A 33 ILE H A 33 ILE HD1% 1.0 2.8 6.0 1104 897 A 33 ILE H A 34 ALA H 1.0 1.8 5.5 1105 898 A 31 LYS HA A 34 ALA H 1.0 1.8 5.5 1106 899 A 33 ILE HB A 34 ALA H 1.0 1.8 5.5 1107 900 A 33 ILE H A 34 ALA H 1.0 1.8 4.0 1108 901 A 34 ALA HA A 34 ALA H 1.0 1.8 5.5 1109 902 A 34 ALA HB% A 34 ALA H 1.0 1.8 4.0 1110 903 A 43 TRP HZ2 A 34 ALA H 1.0 2.8 6.0 1111 904 A 31 LYS HA A 35 ASN H 1.0 2.8 6.0 1112 905 A 32 LEU HA A 35 ASN H 1.0 2.8 6.0 1113 906 A 34 ALA HB% A 35 ASN H 1.0 1.8 4.0 1114 907 A 35 ASN HA A 35 ASN H 1.0 1.8 4.0 1115 908 A 35 ASN H A 35 ASN HB2 1.0 1.8 3.0 1116 908 A 35 ASN HB3 A 35 ASN H 1.0 1.8 3.0 1117 909 A 36 ALA H A 35 ASN H 1.0 1.8 5.5 1118 910 A 35 ASN HD2y A 35 ASN HB2 1.0 2.8 6.0 1119 910 A 35 ASN HB3 A 35 ASN HD2y 1.0 2.8 6.0 1120 911 A 35 ASN HD2x A 35 ASN HB2 1.0 2.8 6.0 1121 911 A 35 ASN HB3 A 35 ASN HD2x 1.0 2.8 6.0 1122 912 A 36 ALA H A 35 ASN HB2 1.0 2.8 6.0 1123 912 A 35 ASN HB3 A 36 ALA H 1.0 2.8 6.0 1124 913 A 36 ALA H A 35 ASN H 1.0 2.8 6.0 1125 914 A 36 ALA HA A 36 ALA H 1.0 2.8 6.0 1126 915 A 36 ALA HB% A 36 ALA H 1.0 1.8 5.5 1127 916 A 37 LYS H A 37 LYS HA 1.0 1.8 4.0 1128 917 A 37 LYS H A 37 LYS HB2 1.0 1.8 5.5 1129 917 A 37 LYS HB3 A 37 LYS H 1.0 1.8 5.5 1130 918 A 37 LYS H A 37 LYS HG2 1.0 1.8 4.0 1131 918 A 37 LYS HG3 A 37 LYS H 1.0 1.8 4.0 1132 919 A 37 LYS H A 38 THR H 1.0 1.8 4.0 1133 920 A 38 THR H A 37 LYS HB2 1.0 2.8 6.0 1134 920 A 37 LYS HB3 A 38 THR H 1.0 2.8 6.0 1135 921 A 37 LYS H A 38 THR H 1.0 1.8 4.0 1136 922 A 38 THR HA A 38 THR H 1.0 1.8 3.0 1137 923 A 39 VAL HA A 39 VAL H 1.0 1.8 3.0 1138 924 A 39 VAL HB A 39 VAL H 1.0 2.8 6.0 1139 925 A 39 VAL HA A 40 GLU H 1.0 1.8 4.0 1140 926 A 39 VAL H A 40 GLU H 1.0 1.8 5.5 1141 927 A 40 GLU H A 40 GLU HA 1.0 2.8 6.0 1142 928 A 40 GLU HBx A 40 GLU H 1.0 2.8 6.0 1143 929 A 40 GLU H A 40 GLU HBy 1.0 1.8 5.5 1144 930 A 40 GLU HA A 41 GLY H 1.0 1.8 4.0 1145 931 A 40 GLU HBx A 41 GLY H 1.0 2.8 6.0 1146 932 A 40 GLU HBy A 41 GLY H 1.0 2.8 6.0 1147 933 A 40 GLU H A 41 GLY H 1.0 2.8 6.0 1148 934 A 41 GLY HAx A 41 GLY H 1.0 1.8 4.0 1149 935 A 41 GLY HAy A 41 GLY H 1.0 1.8 4.0 1150 936 A 41 GLY HAx A 42 VAL H 1.0 1.8 4.0 1151 937 A 41 GLY HAy A 42 VAL H 1.0 1.8 5.5 1152 938 A 41 GLY H A 42 VAL H 1.0 2.8 6.0 1153 939 A 42 VAL H A 42 VAL HA 1.0 2.8 6.0 1154 940 A 42 VAL HB A 42 VAL H 1.0 1.8 4.0 1155 941 A 42 VAL HGx% A 42 VAL H 1.0 1.8 5.5 1156 942 A 42 VAL HA A 43 TRP H 1.0 1.8 3.0 1157 943 A 42 VAL HB A 43 TRP H 1.0 2.8 6.0 1158 944 A 42 VAL HGx% A 43 TRP H 1.0 1.8 4.0 1159 945 A 42 VAL H A 43 TRP H 1.0 2.8 6.0 1160 946 A 43 TRP HA A 43 TRP H 1.0 2.8 6.0 1161 947 A 43 TRP HBx A 43 TRP H 1.0 1.8 5.5 1162 948 A 43 TRP HD1 A 43 TRP H 1.0 1.8 5.5 1163 949 A 43 TRP H A 43 TRP HE1 1.0 2.8 6.0 1164 950 A 41 GLY HAx A 43 TRP HE1 1.0 2.8 6.0 1165 951 A 41 GLY H A 43 TRP HE1 1.0 2.8 6.0 1166 952 A 43 TRP HBx A 43 TRP HE1 1.0 2.8 6.0 1167 953 A 43 TRP HD1 A 43 TRP HE1 1.0 1.8 3.0 1168 954 A 43 TRP HZ2 A 43 TRP HE1 1.0 1.8 3.0 1169 955 A 54 VAL HB A 43 TRP HE1 1.0 2.8 6.0 1170 956 A 54 VAL HGx% A 43 TRP HE1 1.0 2.8 6.0 1171 957 A 54 VAL HGy% A 43 TRP HE1 1.0 2.8 6.0 1172 958 A 43 TRP HA A 44 THR H 1.0 1.8 3.0 1173 959 A 43 TRP HBx A 44 THR H 1.0 2.8 6.0 1174 960 A 43 TRP H A 44 THR H 1.0 2.8 6.0 1175 961 A 44 THR HA A 44 THR H 1.0 2.8 6.0 1176 962 A 44 THR H A 44 THR HB 1.0 2.8 6.0 1177 963 A 44 THR H A 44 THR HG2% 1.0 2.8 6.0 1178 964 A 54 VAL HA A 44 THR H 1.0 2.8 6.0 1179 965 A 44 THR HA A 45 TYR H 1.0 1.8 3.0 1180 966 A 44 THR HB A 45 TYR H 1.0 1.8 5.5 1181 967 A 44 THR HG2% A 45 TYR H 1.0 2.8 6.0 1182 968 A 44 THR H A 45 TYR H 1.0 2.8 6.0 1183 969 A 45 TYR HA A 45 TYR H 1.0 2.8 6.0 1184 970 A 45 TYR HBx A 45 TYR H 1.0 2.8 6.0 1185 971 A 45 TYR HBy A 45 TYR H 1.0 2.8 6.0 1186 972 A 52 PHE HA A 45 TYR H 1.0 2.8 6.0 1187 973 A 45 TYR HA A 46 LYS H 1.0 1.8 3.0 1188 974 A 46 LYS HA A 46 LYS H 1.0 2.8 6.0 1189 975 A 46 LYS HBx A 46 LYS H 1.0 2.8 6.0 1190 976 A 46 LYS H A 46 LYS HBy 1.0 1.8 5.5 1191 977 A 46 LYS H A 47 ASP H 1.0 2.8 6.0 1192 978 A 46 LYS H A 51 THR H 1.0 2.8 6.0 1193 979 A 52 PHE HA A 46 LYS H 1.0 2.8 6.0 1194 980 A 46 LYS H A 52 PHE H 1.0 2.8 6.0 1195 981 A 45 TYR HE% A 47 ASP H 1.0 2.8 6.0 1196 982 A 46 LYS HA A 47 ASP H 1.0 1.8 3.0 1197 983 A 46 LYS HBy A 47 ASP H 1.0 2.8 6.0 1198 984 A 46 LYS H A 47 ASP H 1.0 2.8 6.0 1199 985 A 47 ASP H A 47 ASP HA 1.0 2.8 6.0 1200 986 A 47 ASP H A 47 ASP HBx 1.0 1.8 5.5 1201 987 A 47 ASP HBy A 47 ASP H 1.0 1.8 5.5 1202 988 A 48 GLU HA A 48 GLU H 1.0 2.8 6.0 1203 989 A 48 GLU H A 48 GLU HB2 1.0 2.8 6.0 1204 989 A 48 GLU HB3 A 48 GLU H 1.0 2.8 6.0 1205 990 A 48 GLU H A 48 GLU HG2 1.0 2.8 6.0 1206 990 A 48 GLU HG3 A 48 GLU H 1.0 2.8 6.0 1207 991 A 49 ILE H A 48 GLU HB2 1.0 2.8 6.0 1208 991 A 49 ILE H A 48 GLU HB3 1.0 2.8 6.0 1209 992 A 49 ILE H A 48 GLU H 1.0 2.8 6.0 1210 993 A 49 ILE H A 49 ILE HA 1.0 2.8 6.0 1211 994 A 49 ILE H A 49 ILE HB 1.0 2.8 6.0 1212 995 A 49 ILE H A 49 ILE HD1% 1.0 1.8 4.0 1213 996 A 49 ILE H A 49 ILE HG2% 1.0 1.8 4.0 1214 997 A 49 ILE H A 50 LYS H 1.0 1.8 4.0 1215 998 A 49 ILE HA A 50 LYS H 1.0 2.8 6.0 1216 999 A 49 ILE HD1% A 50 LYS H 1.0 2.8 6.0 1217 1000 A 49 ILE H A 50 LYS H 1.0 1.8 3.0 1218 1001 A 50 LYS HA A 50 LYS H 1.0 1.8 3.0 1219 1002 A 50 LYS H A 50 LYS HB2 1.0 1.8 4.0 1220 1002 A 50 LYS HB3 A 50 LYS H 1.0 1.8 4.0 1221 1003 A 50 LYS H A 50 LYS HE2 1.0 1.8 4.0 1222 1003 A 50 LYS HE3 A 50 LYS H 1.0 1.8 4.0 1223 1004 A 50 LYS H A 51 THR H 1.0 2.8 6.0 1224 1005 A 45 TYR HE% A 51 THR H 1.0 2.8 6.0 1225 1006 A 50 LYS HA A 51 THR H 1.0 1.8 5.5 1226 1007 A 50 LYS H A 51 THR H 1.0 2.8 6.0 1227 1008 A 51 THR HA A 51 THR H 1.0 2.8 6.0 1228 1009 A 51 THR HB A 51 THR H 1.0 1.8 5.5 1229 1010 A 51 THR HG2% A 51 THR H 1.0 1.8 5.5 1230 1011 A 5 LEU HA A 52 PHE H 1.0 2.8 6.0 1231 1012 A 6 ILE H A 52 PHE H 1.0 2.8 6.0 1232 1013 A 30 PHE HE1 A 52 PHE H 1.0 2.8 6.0 1233 1013 A 52 PHE H A 30 PHE HE2 1.0 2.8 6.0 1234 1014 A 51 THR HG2% A 52 PHE H 1.0 1.8 5.5 1235 1015 A 52 PHE HA A 52 PHE H 1.0 1.8 3.0 1236 1016 A 52 PHE HBx A 52 PHE H 1.0 1.8 5.5 1237 1017 A 52 PHE HBy A 52 PHE H 1.0 2.8 6.0 1238 1018 A 52 PHE HD% A 52 PHE H 1.0 1.8 5.5 1239 1019 A 52 PHE HA A 53 THR H 1.0 1.8 3.0 1240 1020 A 52 PHE HBy A 53 THR H 1.0 2.8 6.0 1241 1021 A 53 THR HA A 53 THR H 1.0 1.8 5.5 1242 1022 A 53 THR H A 53 THR HB 1.0 1.8 5.5 1243 1023 A 53 THR HG2% A 53 THR H 1.0 2.8 6.0 1244 1024 A 6 ILE H A 54 VAL H 1.0 2.8 6.0 1245 1025 A 53 THR HA A 54 VAL H 1.0 1.8 3.0 1246 1026 A 54 VAL H A 53 THR HB 1.0 2.8 6.0 1247 1027 A 54 VAL H A 54 VAL HA 1.0 1.8 5.5 1248 1028 A 54 VAL H A 54 VAL HB 1.0 2.8 6.0 1249 1029 A 54 VAL HGx% A 54 VAL H 1.0 2.8 6.0 1250 1030 A 54 VAL H A 54 VAL HGy% 1.0 2.8 6.0 1251 1031 A 43 TRP HA A 55 THR H 1.0 2.8 6.0 1252 1032 A 54 VAL HA A 55 THR H 1.0 1.8 3.0 1253 1033 A 54 VAL HGx% A 55 THR H 1.0 2.8 6.0 1254 1034 A 54 VAL HGy% A 55 THR H 1.0 2.8 6.0 1255 1035 A 55 THR HA A 55 THR H 1.0 2.8 6.0 1256 1036 A 55 THR HB A 55 THR H 1.0 1.8 5.5 1257 1037 A 55 THR HG2% A 55 THR H 1.0 2.8 6.0 1258 1038 A 55 THR HA A 56 GLU H 1.0 1.8 4.0 1259 1039 A 55 THR HB A 56 GLU H 1.0 2.8 6.0 1260 1040 A 55 THR HG2% A 56 GLU H 1.0 1.8 5.5 1261 1041 A 56 GLU H A 56 GLU HA 1.0 2.8 6.0 1262 1042 A 56 GLU HBx A 56 GLU H 1.0 1.8 4.0 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 27 GLU H A 23 ALA O 1.0 1.5 2.5 2 2 A 23 ALA O A 27 GLU N 1.0 2.3 3.2 3 3 A 28 LYS H A 24 GLY O 1.0 1.5 2.5 4 4 A 24 GLY O A 28 LYS N 1.0 2.3 3.2 5 5 A 29 TYR H A 25 THR O 1.0 1.5 2.5 6 6 A 25 THR O A 29 TYR N 1.0 2.3 3.2 7 7 A 30 PHE H A 26 ALA O 1.0 1.5 2.5 8 8 A 26 ALA O A 30 PHE N 1.0 2.3 3.2 9 9 A 31 LYS H A 27 GLU O 1.0 1.5 2.5 10 10 A 27 GLU O A 31 LYS N 1.0 2.3 3.2 11 11 A 32 LEU H A 28 LYS O 1.0 1.5 2.5 12 12 A 28 LYS O A 32 LEU N 1.0 2.3 3.2 13 13 A 33 ILE H A 29 TYR O 1.0 1.5 2.5 14 14 A 29 TYR O A 33 ILE N 1.0 2.3 3.2 15 15 A 34 ALA H A 30 PHE O 1.0 1.5 2.5 16 16 A 30 PHE O A 34 ALA N 1.0 2.3 3.2 17 17 A 35 ASN H A 31 LYS O 1.0 1.5 2.5 18 18 A 31 LYS O A 35 ASN N 1.0 2.3 3.2 19 19 A 36 ALA H A 32 LEU O 1.0 1.5 2.5 20 20 A 32 LEU O A 36 ALA N 1.0 2.3 3.2 21 21 A 37 LYS H A 33 ILE O 1.0 1.5 2.5 22 22 A 33 ILE O A 37 LYS N 1.0 2.3 3.2 23 23 A 14 GLU H A 7 LEU O 1.0 1.5 2.5 24 24 A 7 LEU O A 14 GLU N 1.0 2.3 3.2 25 25 A 7 LEU H A 14 GLU O 1.0 1.5 2.5 26 26 A 14 GLU O A 7 LEU N 1.0 2.3 3.2 27 27 A 16 ALA H A 5 LEU O 1.0 1.5 2.5 28 28 A 5 LEU O A 16 ALA N 1.0 2.3 3.2 29 29 A 5 LEU H A 16 ALA O 1.0 1.5 2.5 30 30 A 16 ALA O A 5 LEU N 1.0 2.3 3.2 31 31 A 18 LYS H A 3 TYR O 1.0 1.5 2.5 32 32 A 3 TYR O A 18 LYS N 1.0 2.3 3.2 33 33 A 3 TYR H A 18 LYS O 1.0 1.5 2.5 34 34 A 18 LYS O A 3 TYR N 1.0 2.3 3.2 35 35 A 20 ALA H A 1 THR O 1.0 1.5 2.5 36 36 A 1 THR O A 20 ALA N 1.0 2.3 3.2 37 37 A 20 ALA O A 1 THR N 1.0 2.3 3.2 38 38 A 8 ASN H A 54 VAL O 1.0 1.5 2.5 39 39 A 54 VAL O A 8 ASN N 1.0 2.3 3.2 40 40 A 56 GLU H A 8 ASN O 1.0 1.5 2.5 41 41 A 8 ASN O A 56 GLU N 1.0 2.3 3.2 42 42 A 54 VAL H A 6 ILE O 1.0 1.5 2.5 43 43 A 6 ILE O A 54 VAL N 1.0 2.3 3.2 44 44 A 6 ILE H A 52 PHE O 1.0 1.5 2.5 45 45 A 52 PHE O A 6 ILE N 1.0 2.3 3.2 46 46 A 52 PHE H A 4 LYS O 1.0 1.5 2.5 47 47 A 4 LYS O A 52 PHE N 1.0 2.3 3.2 48 48 A 4 LYS H A 50 LYS O 1.0 1.5 2.5 49 49 A 50 LYS O A 4 LYS N 1.0 2.3 3.2 50 50 A 51 THR H A 46 LYS O 1.0 1.5 2.5 51 51 A 46 LYS O A 51 THR N 1.0 2.3 3.2 52 52 A 46 LYS H A 51 THR O 1.0 1.5 2.5 53 53 A 51 THR O A 46 LYS N 1.0 2.3 3.2 54 54 A 53 THR H A 44 THR O 1.0 1.5 2.5 55 55 A 44 THR O A 53 THR N 1.0 2.3 3.2 56 56 A 44 THR H A 53 THR O 1.0 1.5 2.5 57 57 A 53 THR O A 44 THR N 1.0 2.3 3.2 58 58 A 55 THR H A 42 VAL O 1.0 1.5 2.5 59 59 A 42 VAL O A 55 THR N 1.0 2.3 3.2 60 60 A 42 VAL H A 55 THR O 1.0 1.5 2.5 61 61 A 55 THR O A 42 VAL N 1.0 2.3 3.2 62 62 A 38 THR H A 34 ALA O 1.0 1.5 2.8 63 63 A 34 ALA O A 38 THR N 1.0 2.3 3.5 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 3 TYR C A 4 LYS N A 4 LYS CA A 4 LYS C 1.0 -149.2 -99.2 PHI 2 2 A 4 LYS N A 4 LYS CA A 4 LYS C A 5 LEU N 1.0 126.7 151.1 PSI 3 3 A 4 LYS C A 5 LEU N A 5 LEU CA A 5 LEU C 1.0 -138.8 -88.8 PHI 4 4 A 5 LEU N A 5 LEU CA A 5 LEU C A 6 ILE N 1.0 117.6 142.0 PSI 5 5 A 5 LEU C A 6 ILE N A 6 ILE CA A 6 ILE C 1.0 -131.3 -81.3 PHI 6 6 A 6 ILE N A 6 ILE CA A 6 ILE C A 7 LEU N 1.0 107.6 132.0 PSI 7 7 A 6 ILE C A 7 LEU N A 7 LEU CA A 7 LEU C 1.0 -135.9 -85.9 PHI 8 8 A 7 LEU N A 7 LEU CA A 7 LEU C A 8 ASN N 1.0 106.5 130.9 PSI 9 9 A 7 LEU C A 8 ASN N A 8 ASN CA A 8 ASN C 1.0 -127.0 -77.0 PHI 10 10 A 8 ASN N A 8 ASN CA A 8 ASN C A 9 LEU N 1.0 101.5 129.5 PSI 11 11 A 8 ASN C A 9 LEU N A 9 LEU CA A 9 LEU C 1.0 -114.5 -64.5 PHI 12 12 A 9 LEU N A 9 LEU CA A 9 LEU C A 10 LYS N 1.0 103.6 179.0 PSI 13 13 A 12 ALA C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -139.2 -89.2 PHI 14 14 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 GLU N 1.0 105.0 180.2 PSI 15 15 A 13 LYS C A 14 GLU N A 14 GLU CA A 14 GLU C 1.0 -159.7 -109.7 PHI 16 16 A 14 GLU N A 14 GLU CA A 14 GLU C A 15 GLU N 1.0 116.0 191.4 PSI 17 17 A 14 GLU C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -150.2 -100.2 PHI 18 18 A 15 GLU N A 15 GLU CA A 15 GLU C A 16 ALA N 1.0 107.0 182.2 PSI 19 19 A 15 GLU C A 16 ALA N A 16 ALA CA A 16 ALA C 1.0 -159.6 -109.6 PHI 20 20 A 16 ALA N A 16 ALA CA A 16 ALA C A 17 ILE N 1.0 116.1 191.5 PSI 21 21 A 16 ALA C A 17 ILE N A 17 ILE CA A 17 ILE C 1.0 -151.9 -101.9 PHI 22 22 A 17 ILE N A 17 ILE CA A 17 ILE C A 18 LYS N 1.0 109.0 184.2 PSI 23 23 A 17 ILE C A 18 LYS N A 18 LYS CA A 18 LYS C 1.0 -168.7 -118.7 PHI 24 24 A 18 LYS N A 18 LYS CA A 18 LYS C A 19 GLU N 1.0 98.6 174.0 PSI 25 25 A 18 LYS C A 19 GLU N A 19 GLU CA A 19 GLU C 1.0 -127.5 -77.5 PHI 26 26 A 19 GLU N A 19 GLU CA A 19 GLU C A 20 ALA N 1.0 91.6 167.0 PSI 27 27 A 19 GLU C A 20 ALA N A 20 ALA CA A 20 ALA C 1.0 -139.8 -89.8 PHI 28 28 A 20 ALA N A 20 ALA CA A 20 ALA C A 21 VAL N 1.0 118.2 193.6 PSI 29 29 A 20 ALA C A 21 VAL N A 21 VAL CA A 21 VAL C 1.0 -109.9 -59.9 PHI 30 30 A 21 VAL N A 21 VAL CA A 21 VAL C A 22 ASP N 1.0 -54.8 20.6 PSI 31 31 A 23 ALA C A 24 GLY N A 24 GLY CA A 24 GLY C 1.0 -89.0 -39.0 PHI 32 32 A 24 GLY N A 24 GLY CA A 24 GLY C A 25 THR N 1.0 -80.2 -5.0 PSI 33 33 A 24 GLY C A 25 THR N A 25 THR CA A 25 THR C 1.0 -91.3 -41.3 PHI 34 34 A 25 THR N A 25 THR CA A 25 THR C A 26 ALA N 1.0 -78.4 -3.2 PSI 35 35 A 25 THR C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -87.1 -37.1 PHI 36 36 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 GLU N 1.0 -79.0 -3.6 PSI 37 37 A 26 ALA C A 27 GLU N A 27 GLU CA A 27 GLU C 1.0 -87.9 -37.9 PHI 38 38 A 27 GLU N A 27 GLU CA A 27 GLU C A 28 LYS N 1.0 -82.0 -6.8 PSI 39 39 A 27 GLU C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 -85.6 -35.6 PHI 40 40 A 28 LYS N A 28 LYS CA A 28 LYS C A 29 TYR N 1.0 -76.3 -0.9 PSI 41 41 A 28 LYS C A 29 TYR N A 29 TYR CA A 29 TYR C 1.0 -89.8 -39.8 PHI 42 42 A 29 TYR N A 29 TYR CA A 29 TYR C A 30 PHE N 1.0 -81.0 -5.8 PSI 43 43 A 29 TYR C A 30 PHE N A 30 PHE CA A 30 PHE C 1.0 -95.4 -45.4 PHI 44 44 A 30 PHE N A 30 PHE CA A 30 PHE C A 31 LYS N 1.0 -73.8 1.6 PSI 45 45 A 30 PHE C A 31 LYS N A 31 LYS CA A 31 LYS C 1.0 -87.2 -37.2 PHI 46 46 A 31 LYS N A 31 LYS CA A 31 LYS C A 32 LEU N 1.0 -76.7 -1.5 PSI 47 47 A 31 LYS C A 32 LEU N A 32 LEU CA A 32 LEU C 1.0 -90.0 -40.0 PHI 48 48 A 32 LEU N A 32 LEU CA A 32 LEU C A 33 ILE N 1.0 -78.5 -3.3 PSI 49 49 A 32 LEU C A 33 ILE N A 33 ILE CA A 33 ILE C 1.0 -89.1 -39.1 PHI 50 50 A 33 ILE N A 33 ILE CA A 33 ILE C A 34 ALA N 1.0 -80.1 -4.7 PSI 51 51 A 33 ILE C A 34 ALA N A 34 ALA CA A 34 ALA C 1.0 -90.5 -40.5 PHI 52 52 A 34 ALA N A 34 ALA CA A 34 ALA C A 35 ASN N 1.0 -79.8 -4.6 PSI 53 53 A 34 ALA C A 35 ASN N A 35 ASN CA A 35 ASN C 1.0 -85.1 -35.1 PHI 54 54 A 35 ASN N A 35 ASN CA A 35 ASN C A 36 ALA N 1.0 -81.0 -5.8 PSI 55 55 A 35 ASN C A 36 ALA N A 36 ALA CA A 36 ALA C 1.0 -92.1 -42.1 PHI 56 56 A 36 ALA N A 36 ALA CA A 36 ALA C A 37 LYS N 1.0 -67.5 7.7 PSI 57 57 A 41 GLY C A 42 VAL N A 42 VAL CA A 42 VAL C 1.0 -124.2 -74.2 PHI 58 58 A 42 VAL N A 42 VAL CA A 42 VAL C A 43 TRP N 1.0 92.2 167.6 PSI 59 59 A 43 TRP C A 44 THR N A 44 THR CA A 44 THR C 1.0 -151.2 -101.2 PHI 60 60 A 44 THR N A 44 THR CA A 44 THR C A 45 TYR N 1.0 112.1 187.5 PSI 61 61 A 44 THR C A 45 TYR N A 45 TYR CA A 45 TYR C 1.0 -142.8 -92.8 PHI 62 62 A 45 TYR N A 45 TYR CA A 45 TYR C A 46 LYS N 1.0 91.2 166.6 PSI 63 63 A 45 TYR C A 46 LYS N A 46 LYS CA A 46 LYS C 1.0 -120.6 -70.6 PHI 64 64 A 46 LYS N A 46 LYS CA A 46 LYS C A 47 ASP N 1.0 90.2 165.6 PSI 65 65 A 50 LYS C A 51 THR N A 51 THR CA A 51 THR C 1.0 -162.5 -112.5 PHI 66 66 A 51 THR N A 51 THR CA A 51 THR C A 52 PHE N 1.0 116.5 191.9 PSI 67 67 A 51 THR C A 52 PHE N A 52 PHE CA A 52 PHE C 1.0 -144.5 -94.5 PHI 68 68 A 52 PHE N A 52 PHE CA A 52 PHE C A 53 THR N 1.0 91.6 167.0 PSI 69 69 A 52 PHE C A 53 THR N A 53 THR CA A 53 THR C 1.0 -145.9 -95.9 PHI 70 70 A 53 THR N A 53 THR CA A 53 THR C A 54 VAL N 1.0 93.5 168.9 PSI 71 71 A 53 THR C A 54 VAL N A 54 VAL CA A 54 VAL C 1.0 -135.5 -85.5 PHI 72 72 A 54 VAL N A 54 VAL CA A 54 VAL C A 55 THR N 1.0 88.2 163.6 PSI 73 73 A 54 VAL C A 55 THR N A 55 THR CA A 55 THR C 1.0 -141.7 -91.7 PHI 74 74 A 55 THR N A 55 THR CA A 55 THR C A 56 GLU N 1.0 83.4 158.6 PSI stop_ save_