data_nef_c15537_2jwu save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_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 ALA middle . . 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 TYR 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 THR 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 H1 H 1 8.792 0.05 A 1 THR HA H 1 4.224 0.059 A 1 THR HB H 1 3.854 0.05 A 1 THR HG2% H 1 1.056 0.012 A 1 THR CA C 13 63.748 0.5 A 1 THR CB C 13 68.568 0.5 A 1 THR CG2 C 13 22.79 0.5 A 2 THR H H 1 8.719 0.025 A 2 THR HA H 1 4.251 0.042 A 2 THR HB H 1 3.854 0.05 A 2 THR HG2% H 1 1.042 0.016 A 2 THR C C 13 172.951 0.5 A 2 THR CA C 13 63.748 0.017 A 2 THR CB C 13 68.568 0.036 A 2 THR CG2 C 13 22.79 0.5 A 2 THR N N 15 123.894 0.5 A 3 TYR H H 1 8.841 0.043 A 3 TYR HA H 1 5.289 0.024 A 3 TYR HBy H 1 3.381 0.038 A 3 TYR HBx H 1 2.967 0.049 A 3 TYR HD1 H 1 7.137 0.048 A 3 TYR HD2 H 1 7.137 0.048 A 3 TYR HE1 H 1 6.597 0.042 A 3 TYR HE2 H 1 6.597 0.042 A 3 TYR C C 13 173.975 0.5 A 3 TYR CA C 13 57.85 0.049 A 3 TYR CB C 13 43.043 0.013 A 3 TYR CD1 C 13 133.102 0.5 A 3 TYR CD2 C 13 133.102 0.5 A 3 TYR CE1 C 13 117.552 0.5 A 3 TYR CE2 C 13 117.552 0.5 A 3 TYR N N 15 127.37 0.008 A 4 LYS H H 1 8.791 0.035 A 4 LYS HA H 1 5.344 0.027 A 4 LYS HBy H 1 1.879 0.003 A 4 LYS HBx H 1 1.724 0.037 A 4 LYS HG2 H 1 1.32 0.042 A 4 LYS HG3 H 1 1.32 0.042 A 4 LYS C C 13 173.055 0.5 A 4 LYS CA C 13 54.537 0.5 A 4 LYS CB C 13 35.881 0.015 A 4 LYS CE C 13 42.066 0.5 A 4 LYS CG C 13 25.249 0.5 A 4 LYS N N 15 121.038 0.02 A 5 LEU H H 1 9.005 0.026 A 5 LEU HA H 1 4.889 0.054 A 5 LEU HBy H 1 0.881 0.044 A 5 LEU HBx H 1 -0.816 0.042 A 5 LEU HDx% H 1 0.284 0.007 A 5 LEU HDy% H 1 0.387 0.044 A 5 LEU HG H 1 0.555 0.05 A 5 LEU C C 13 174.789 0.5 A 5 LEU CA C 13 52.566 0.061 A 5 LEU CB C 13 44.174 0.055 A 5 LEU CD2 C 13 23.929 0.057 A 5 LEU CG C 13 26.303 0.5 A 5 LEU N N 15 126.547 0.018 A 6 ILE H H 1 9.104 0.025 A 6 ILE HA H 1 4.97 0.041 A 6 ILE HB H 1 2.423 0.026 A 6 ILE HG12 H 1 0.87 0.059 A 6 ILE HG13 H 1 0.87 0.059 A 6 ILE C C 13 174.69 0.5 A 6 ILE CA C 13 60.313 0.024 A 6 ILE CB C 13 38.652 0.055 A 6 ILE CG1 C 13 26.976 0.5 A 6 ILE CG2 C 13 16.951 0.5 A 6 ILE N N 15 126.502 0.023 A 7 LEU H H 1 8.907 0.033 A 7 LEU HA H 1 4.452 0.029 A 7 LEU HBy H 1 1.676 0.034 A 7 LEU HBx H 1 1.123 0.049 A 7 LEU HDx% H 1 0.731 0.02 A 7 LEU HDy% H 1 0.707 0.05 A 7 LEU HG H 1 0.61 0.012 A 7 LEU C C 13 174.573 0.5 A 7 LEU CA C 13 54.01 0.5 A 7 LEU CB C 13 41.072 0.5 A 7 LEU CD1 C 13 25.366 0.5 A 7 LEU CG C 13 26.245 0.5 A 7 LEU N N 15 126.037 0.165 A 8 ASN H H 1 8.941 0.039 A 8 ASN HA H 1 4.943 0.018 A 8 ASN HBy H 1 2.753 0.046 A 8 ASN HBx H 1 2.455 0.043 A 8 ASN HD2y H 1 6.977 0.024 A 8 ASN HD2x H 1 6.714 0.027 A 8 ASN C C 13 174.323 0.5 A 8 ASN CA C 13 51.785 0.5 A 8 ASN CB C 13 38.008 0.028 A 8 ASN N N 15 125.436 0.5 A 8 ASN ND2 N 15 111.414 0.034 A 9 LEU H H 1 7.636 0.027 A 9 LEU HA H 1 4.548 0.05 A 9 LEU HBy H 1 1.936 0.004 A 9 LEU HBx H 1 1.79 0.042 A 9 LEU HDx% H 1 0.715 0.05 A 9 LEU HG H 1 1.521 0.04 A 9 LEU C C 13 177.23 0.5 A 9 LEU CA C 13 53.502 0.019 A 9 LEU CB C 13 41.569 0.036 A 9 LEU CD1 C 13 22.878 0.5 A 9 LEU CG C 13 26.303 0.5 A 9 LEU N N 15 121.638 0.05 A 10 LYS H H 1 9.138 0.025 A 10 LYS HA H 1 3.964 0.052 A 10 LYS HB2 H 1 1.733 0.001 A 10 LYS HB3 H 1 1.733 0.001 A 10 LYS HE2 H 1 3.02 0.05 A 10 LYS HE3 H 1 3.02 0.05 A 10 LYS HG2 H 1 1.457 0.018 A 10 LYS HG3 H 1 1.457 0.018 A 10 LYS C C 13 179.119 0.5 A 10 LYS CA C 13 59.786 0.018 A 10 LYS CB C 13 31.825 0.002 A 10 LYS CD C 13 28.85 0.5 A 10 LYS CE C 13 41.598 0.5 A 10 LYS CG C 13 24.986 0.5 A 10 LYS N N 15 120.948 0.03 A 11 GLN H H 1 8.432 0.022 A 11 GLN HA H 1 4.325 0.048 A 11 GLN HB2 H 1 2.259 0.05 A 11 GLN HB3 H 1 2.259 0.05 A 11 GLN HG2 H 1 1.822 0.025 A 11 GLN HG3 H 1 1.822 0.025 A 11 GLN C C 13 175.294 0.5 A 11 GLN CA C 13 55.903 0.055 A 11 GLN CB C 13 29.207 0.028 A 11 GLN CG C 13 33.884 0.5 A 11 GLN N N 15 113.252 0.02 A 12 ALA H H 1 7.079 0.025 A 12 ALA HA H 1 4.318 0.039 A 12 ALA HB% H 1 1.264 0.032 A 12 ALA C C 13 174.19 0.5 A 12 ALA CA C 13 52.507 0.036 A 12 ALA CB C 13 21.479 0.043 A 12 ALA N N 15 120.435 0.043 A 13 LYS H H 1 8.156 0.021 A 13 LYS HA H 1 5.197 0.026 A 13 LYS HB2 H 1 1.669 0.053 A 13 LYS HB3 H 1 1.669 0.053 A 13 LYS HE2 H 1 2.903 0.05 A 13 LYS HE3 H 1 2.903 0.05 A 13 LYS HG2 H 1 1.353 0.049 A 13 LYS HG3 H 1 1.353 0.049 A 13 LYS C C 13 176.127 0.5 A 13 LYS CA C 13 55.036 0.072 A 13 LYS CB C 13 33.89 0.039 A 13 LYS CD C 13 29.084 0.5 A 13 LYS CE C 13 42.081 0.5 A 13 LYS CG C 13 24.459 0.5 A 13 LYS N N 15 120.644 0.009 A 14 GLU H H 1 8.545 0.04 A 14 GLU HA H 1 4.629 0.04 A 14 GLU HB2 H 1 2.091 0.007 A 14 GLU HB3 H 1 2.091 0.007 A 14 GLU HG2 H 1 2.158 0.003 A 14 GLU HG3 H 1 2.158 0.003 A 14 GLU C C 13 173.875 0.5 A 14 GLU CA C 13 54.68 0.03 A 14 GLU CB C 13 34.319 0.132 A 14 GLU CG C 13 36.607 0.5 A 14 GLU N N 15 123.133 0.02 A 15 GLU H H 1 8.532 0.016 A 15 GLU HA H 1 5.465 0.039 A 15 GLU HB2 H 1 1.908 0.055 A 15 GLU HB3 H 1 1.908 0.055 A 15 GLU HG2 H 1 2.038 0.032 A 15 GLU HG3 H 1 2.038 0.032 A 15 GLU C C 13 175.284 0.5 A 15 GLU CG C 13 36.46 0.5 A 15 GLU N N 15 120.437 0.05 A 16 ALA H H 1 9.161 0.018 A 16 ALA HA H 1 4.731 0.027 A 16 ALA HB% H 1 1.128 0.026 A 16 ALA C C 13 174.936 0.5 A 16 ALA CA C 13 51.278 0.028 A 16 ALA CB C 13 22.037 0.06 A 16 ALA N N 15 126.588 0.016 A 17 ILE H H 1 8.387 0.025 A 17 ILE HA H 1 5.325 0.055 A 17 ILE HB H 1 1.957 0.009 A 17 ILE HD1% H 1 0.812 0.043 A 17 ILE HG12 H 1 1.655 0.012 A 17 ILE HG13 H 1 1.655 0.012 A 17 ILE C C 13 176.066 0.5 A 17 ILE CD1 C 13 13.219 0.5 A 17 ILE CG1 C 13 27.328 0.5 A 17 ILE CG2 C 13 17.961 0.5 A 17 ILE N N 15 117.62 0.037 A 18 LYS H H 1 9.152 0.018 A 18 LYS HA H 1 4.385 0.051 A 18 LYS HBy H 1 1.366 0.048 A 18 LYS HBx H 1 1.274 0.02 A 18 LYS HD2 H 1 0.861 0.051 A 18 LYS HD3 H 1 0.861 0.051 A 18 LYS HE2 H 1 2.991 0.05 A 18 LYS HE3 H 1 2.991 0.05 A 18 LYS HG2 H 1 1.318 0.043 A 18 LYS HG3 H 1 1.318 0.043 A 18 LYS C C 13 173.587 0.5 A 18 LYS CA C 13 55.084 0.045 A 18 LYS CB C 13 36.862 0.027 A 18 LYS CD C 13 27.957 0.5 A 18 LYS CE C 13 42.593 0.5 A 18 LYS CG C 13 24.546 0.062 A 18 LYS N N 15 125.563 0.014 A 19 GLU H H 1 8.337 0.035 A 19 GLU HA H 1 4.907 0.046 A 19 GLU HB2 H 1 1.849 0.026 A 19 GLU HB3 H 1 1.849 0.026 A 19 GLU HG2 H 1 2.093 0.009 A 19 GLU HG3 H 1 2.093 0.009 A 19 GLU C C 13 175.687 0.5 A 19 GLU CA C 13 55.679 0.029 A 19 GLU CB C 13 29.158 0.018 A 19 GLU CG C 13 35.465 0.5 A 19 GLU N N 15 127.836 0.022 A 20 LEU H H 1 8.71 0.031 A 20 LEU HA H 1 4.798 0.037 A 20 LEU HBy H 1 1.46 0.019 A 20 LEU HBx H 1 1.35 0.027 A 20 LEU HDx% H 1 0.34 0.022 A 20 LEU HG H 1 1.408 0.05 A 20 LEU C C 13 177.829 0.5 A 20 LEU CA C 13 53.519 0.203 A 20 LEU CB C 13 47.902 0.081 A 20 LEU CD1 C 13 23.793 0.5 A 20 LEU CG C 13 23.332 0.5 A 20 LEU N N 15 127.24 0.002 A 21 VAL H H 1 8.236 0.021 A 21 VAL HA H 1 3.947 0.003 A 21 VAL HB H 1 2.057 0.055 A 21 VAL HGx% H 1 0.909 0.052 A 21 VAL C C 13 175.301 0.5 A 21 VAL CA C 13 64.879 0.1 A 21 VAL CB C 13 32.29 0.5 A 21 VAL CG1 C 13 20.127 0.5 A 21 VAL N N 15 116.513 0.099 A 22 ASP H H 1 7.071 0.032 A 22 ASP HA H 1 4.028 0.027 A 22 ASP HBy H 1 3.564 0.027 A 22 ASP HBx H 1 2.972 0.039 A 22 ASP C C 13 172.221 0.5 A 22 ASP CA C 13 52.983 0.096 A 22 ASP CB C 13 42.107 0.055 A 22 ASP N N 15 115.04 0.022 A 23 ALA H H 1 8.332 0.025 A 23 ALA HA H 1 4.136 0.02 A 23 ALA HB% H 1 1.264 0.022 A 23 ALA C C 13 179.56 0.5 A 23 ALA CA C 13 55.215 0.032 A 23 ALA CB C 13 17.337 0.039 A 23 ALA N N 15 121.322 0.044 A 24 ALA H H 1 8.168 0.034 A 24 ALA HA H 1 4 0.038 A 24 ALA HB% H 1 1.234 0.049 A 24 ALA C C 13 181.17 0.5 A 24 ALA CA C 13 54.771 0.027 A 24 ALA CB C 13 17.274 0.029 A 24 ALA N N 15 122.44 0.002 A 25 THR H H 1 8.444 0.004 A 25 THR HA H 1 3.924 0.041 A 25 THR HB H 1 3.752 0.029 A 25 THR HG2% H 1 1.159 0.011 A 25 THR C C 13 176.695 0.5 A 25 THR CA C 13 66.636 0.018 A 25 THR CB C 13 68.177 0.5 A 25 THR CG2 C 13 23.727 0.5 A 25 THR N N 15 117.219 0.01 A 26 ALA H H 1 7.755 0.035 A 26 ALA HA H 1 3.427 0.028 A 26 ALA HB% H 1 0.657 0.035 A 26 ALA C C 13 176.844 0.5 A 26 ALA CA C 13 55.025 0.028 A 26 ALA CB C 13 17.772 0.024 A 26 ALA N N 15 125.147 0.003 A 27 GLU H H 1 8.412 0.031 A 27 GLU HA H 1 2.758 0.033 A 27 GLU HB2 H 1 1.957 0.044 A 27 GLU HB3 H 1 1.957 0.044 A 27 GLU HG2 H 1 1.688 0.015 A 27 GLU HG3 H 1 1.688 0.015 A 27 GLU C C 13 177.417 0.5 A 27 GLU CA C 13 59.932 0.02 A 27 GLU CB C 13 28.943 0.02 A 27 GLU CG C 13 35.575 0.016 A 27 GLU N N 15 119.203 0.014 A 28 LYS H H 1 7.013 0.043 A 28 LYS HA H 1 3.626 0.025 A 28 LYS HB2 H 1 1.682 0.025 A 28 LYS HB3 H 1 1.682 0.025 A 28 LYS HE2 H 1 2.859 0.05 A 28 LYS HE3 H 1 2.859 0.05 A 28 LYS HG2 H 1 1.337 0.05 A 28 LYS HG3 H 1 1.337 0.05 A 28 LYS C C 13 178.802 0.5 A 28 LYS CA C 13 59.572 0.045 A 28 LYS CB C 13 32.29 0.048 A 28 LYS CD C 13 28.879 0.5 A 28 LYS CE C 13 42.461 0.5 A 28 LYS CG C 13 26.157 0.5 A 28 LYS N N 15 116.415 0.012 A 29 TYR H H 1 7.815 0.045 A 29 TYR HA H 1 3.841 0.021 A 29 TYR HB2 H 1 2.785 0.021 A 29 TYR HB3 H 1 2.392 0.04 A 29 TYR HD1 H 1 6.39 0.032 A 29 TYR HD2 H 1 6.39 0.032 A 29 TYR HE1 H 1 6.683 0.02 A 29 TYR HE2 H 1 6.683 0.02 A 29 TYR C C 13 178.466 0.5 A 29 TYR CA C 13 61.703 0.014 A 29 TYR CB C 13 38.193 0.075 A 29 TYR CD1 C 13 132.698 0.5 A 29 TYR CD2 C 13 132.698 0.5 A 29 TYR CE1 C 13 123.19 0.5 A 29 TYR CE2 C 13 123.19 0.5 A 29 TYR N N 15 119.36 0.019 A 30 PHE H H 1 8.979 0.037 A 30 PHE HA H 1 4.451 0.018 A 30 PHE HBy H 1 3.246 0.035 A 30 PHE HBx H 1 2.665 0.028 A 30 PHE HD1 H 1 6.64 0.054 A 30 PHE HD2 H 1 6.64 0.054 A 30 PHE HE1 H 1 7.063 0.041 A 30 PHE HE2 H 1 7.063 0.041 A 30 PHE C C 13 178.342 0.5 A 30 PHE CA C 13 59.395 0.122 A 30 PHE CB C 13 37.451 0.014 A 30 PHE CD1 C 13 131.007 0.019 A 30 PHE CD2 C 13 131.007 0.019 A 30 PHE CE1 C 13 130.017 0.5 A 30 PHE CE2 C 13 130.017 0.5 A 30 PHE N N 15 119.088 0.033 A 31 LYS H H 1 8.464 0.05 A 31 LYS HA H 1 3.983 0.023 A 31 LYS HBy H 1 1.582 0.028 A 31 LYS HBx H 1 1.386 0.018 A 31 LYS HD2 H 1 1.535 0.015 A 31 LYS HD3 H 1 1.535 0.015 A 31 LYS HG2 H 1 0.674 0.035 A 31 LYS HG3 H 1 0.674 0.035 A 31 LYS C C 13 179.506 0.5 A 31 LYS CA C 13 60.031 0.096 A 31 LYS CB C 13 31.236 0.033 A 31 LYS CD C 13 28.85 0.5 A 31 LYS CG C 13 26.099 0.001 A 31 LYS N N 15 122.22 0.015 A 32 LEU H H 1 7.314 0.026 A 32 LEU HA H 1 3.99 0.023 A 32 LEU HBy H 1 1.693 0.055 A 32 LEU HBx H 1 1.461 0.048 A 32 LEU HDx% H 1 0.752 0.039 A 32 LEU HG H 1 1.478 0.041 A 32 LEU C C 13 179.565 0.5 A 32 LEU CA C 13 58.069 0.066 A 32 LEU CB C 13 41.329 0.077 A 32 LEU CD1 C 13 21.21 0.5 A 32 LEU CG C 13 25.601 0.5 A 32 LEU N N 15 120.642 0.058 A 33 TYR H H 1 8.018 0.058 A 33 TYR HA H 1 3.999 0.02 A 33 TYR HBy H 1 3.15 0.044 A 33 TYR HBx H 1 2.651 0.032 A 33 TYR HD1 H 1 6.878 0.045 A 33 TYR HD2 H 1 6.878 0.045 A 33 TYR HE1 H 1 6.723 0.053 A 33 TYR HE2 H 1 6.723 0.053 A 33 TYR HH H 1 6.763 0.05 A 33 TYR C C 13 177.598 0.5 A 33 TYR CA C 13 61.107 0.011 A 33 TYR CB C 13 39.081 0.034 A 33 TYR CD1 C 13 132.311 0.5 A 33 TYR CD2 C 13 132.311 0.5 A 33 TYR CE1 C 13 117.688 0.5 A 33 TYR CE2 C 13 117.688 0.5 A 33 TYR N N 15 122.222 0.053 A 34 ALA H H 1 8.794 0.026 A 34 ALA HA H 1 3.783 0.034 A 34 ALA HB% H 1 1.645 0.035 A 34 ALA C C 13 179.307 0.5 A 34 ALA CA C 13 54.459 0.029 A 34 ALA CB C 13 18.376 0.123 A 34 ALA N N 15 119.675 0.018 A 35 ASN H H 1 8.156 0.044 A 35 ASN HA H 1 4.489 0.05 A 35 ASN HB2 H 1 2.784 0.021 A 35 ASN HB3 H 1 2.784 0.021 A 35 ASN C C 13 177.869 0.5 A 35 ASN CA C 13 56.41 0.059 A 35 ASN CB C 13 38.339 0.027 A 35 ASN N N 15 117.882 0.005 A 36 ALA H H 1 7.804 0.015 A 36 ALA HA H 1 4.087 0.042 A 36 ALA HB% H 1 1.334 0.011 A 36 ALA C C 13 178.579 0.5 A 36 ALA CA C 13 53.893 0.5 A 36 ALA CB C 13 17.782 0.053 A 36 ALA N N 15 121.244 0.01 A 37 LYS H H 1 7.38 0.052 A 37 LYS HA H 1 4.164 0.033 A 37 LYS HB2 H 1 1.771 0.025 A 37 LYS HB3 H 1 1.771 0.025 A 37 LYS HD2 H 1 1.516 0.013 A 37 LYS HD3 H 1 1.516 0.013 A 37 LYS HG2 H 1 1.158 0.018 A 37 LYS HG3 H 1 1.158 0.018 A 37 LYS C C 13 175.831 0.5 A 37 LYS CA C 13 56.02 0.017 A 37 LYS CB C 13 32.876 0.5 A 37 LYS CD C 13 29.113 0.5 A 37 LYS CE C 13 41.407 0.5 A 37 LYS CG C 13 24.576 0.5 A 37 LYS N N 15 116.585 0.026 A 38 THR H H 1 7.891 0.008 A 38 THR HA H 1 4.144 0.049 A 38 THR HB H 1 4.237 0.026 A 38 THR HG2% H 1 1.027 0.004 A 38 THR C C 13 172.82 0.5 A 38 THR CA C 13 61.719 0.023 A 38 THR CB C 13 68.688 0.196 A 38 THR CG2 C 13 21.824 0.5 A 38 THR N N 15 113.375 0.002 A 39 VAL H H 1 7.939 0.01 A 39 VAL HA H 1 4.148 0.026 A 39 VAL HB H 1 1.712 0.052 A 39 VAL HGx% H 1 0.728 0.045 A 39 VAL C C 13 174.525 0.5 A 39 VAL CA C 13 62.125 0.007 A 39 VAL CB C 13 32.72 0.051 A 39 VAL CG1 C 13 20.747 0.016 A 39 VAL N N 15 120.564 0.003 A 40 GLU H H 1 8.586 0.021 A 40 GLU HA H 1 4.533 0.024 A 40 GLU HB2 H 1 1.851 0.03 A 40 GLU HB3 H 1 1.851 0.03 A 40 GLU HG2 H 1 2.128 0.051 A 40 GLU HG3 H 1 2.128 0.051 A 40 GLU C C 13 175.158 0.5 A 40 GLU CA C 13 55.211 0.022 A 40 GLU CB C 13 31.13 0.017 A 40 GLU CG C 13 36.051 0.5 A 40 GLU N N 15 126.113 0.283 A 41 GLY H H 1 8.042 0.017 A 41 GLY HAy H 1 4.059 0.037 A 41 GLY HAx H 1 3.533 0.042 A 41 GLY C C 13 174.994 0.5 A 41 GLY CA C 13 45.3 0.071 A 41 GLY N N 15 107.727 0.053 A 42 VAL H H 1 8.349 0.013 A 42 VAL HA H 1 4.303 0.032 A 42 VAL HB H 1 1.92 0.049 A 42 VAL HGx% H 1 0.982 0.043 A 42 VAL C C 13 176.649 0.5 A 42 VAL CA C 13 62.243 0.008 A 42 VAL CB C 13 33.763 0.2 A 42 VAL CG1 C 13 20.888 0.5 A 42 VAL N N 15 121.379 0.024 A 43 TRP H H 1 9.25 0.021 A 43 TRP HA H 1 5.104 0.038 A 43 TRP HBy H 1 3.246 0.032 A 43 TRP HBx H 1 3.108 0.017 A 43 TRP HD1 H 1 7.338 0.041 A 43 TRP HE1 H 1 10.366 0.034 A 43 TRP HE3 H 1 7.545 0.035 A 43 TRP HH2 H 1 6.752 0.049 A 43 TRP HZ2 H 1 7.269 0.027 A 43 TRP HZ3 H 1 6.537 0.014 A 43 TRP C C 13 177.089 0.5 A 43 TRP CA C 13 57.991 0.5 A 43 TRP CB C 13 29.904 0.066 A 43 TRP CD1 C 13 126.082 0.5 A 43 TRP CE3 C 13 119.604 0.5 A 43 TRP CZ2 C 13 114.668 0.5 A 43 TRP CZ3 C 13 120.65 0.5 A 43 TRP N N 15 130.568 0.006 A 43 TRP NE1 N 15 130.764 0.5 A 44 THR H H 1 9.219 0.018 A 44 THR HA H 1 4.694 0.031 A 44 THR HB H 1 4.108 0.037 A 44 THR HG2% H 1 1.126 0.02 A 44 THR C C 13 172.706 0.5 A 44 THR CA C 13 60.957 0.019 A 44 THR CB C 13 72.616 0.008 A 44 THR CG2 C 13 21.649 0.5 A 44 THR N N 15 114.918 0.026 A 45 TYR H H 1 8.553 0.043 A 45 TYR HA H 1 5.002 0.039 A 45 TYR HBy H 1 2.788 0.042 A 45 TYR HBx H 1 2.445 0.018 A 45 TYR HE1 H 1 6.287 0.043 A 45 TYR HE2 H 1 6.287 0.043 A 45 TYR C C 13 173.745 0.5 A 45 TYR CA C 13 57.249 0.113 A 45 TYR CB C 13 41.719 0.169 A 45 TYR CE1 C 13 117.351 0.5 A 45 TYR CE2 C 13 117.351 0.5 A 45 TYR N N 15 121.49 0.037 A 46 LYS H H 1 7.348 0.019 A 46 LYS HA H 1 4.222 0.048 A 46 LYS HB2 H 1 1.713 0.051 A 46 LYS HB3 H 1 1.713 0.051 A 46 LYS HD2 H 1 1.244 0.012 A 46 LYS HD3 H 1 1.244 0.012 A 46 LYS HG2 H 1 0.731 0.011 A 46 LYS HG3 H 1 0.731 0.011 A 46 LYS C C 13 175.715 0.5 A 46 LYS CA C 13 53.576 0.113 A 46 LYS CB C 13 33.582 0.023 A 46 LYS CD C 13 29.064 0.028 A 46 LYS CE C 13 41.232 0.5 A 46 LYS CG C 13 24.752 0.5 A 46 LYS N N 15 129.62 0.027 A 47 ASP H H 1 8.578 0.031 A 47 ASP HA H 1 4.126 0.053 A 47 ASP HBy H 1 2.803 0.024 A 47 ASP HBx H 1 2.414 0.001 A 47 ASP C C 13 179.207 0.5 A 47 ASP CA C 13 57.191 0.032 A 47 ASP CB C 13 41.969 0.016 A 47 ASP N N 15 125.757 0.035 A 48 GLU H H 1 9.445 0.021 A 48 GLU HA H 1 3.918 0.038 A 48 GLU HB2 H 1 1.86 0.032 A 48 GLU HB3 H 1 1.86 0.032 A 48 GLU HG2 H 1 2.244 0.031 A 48 GLU HG3 H 1 2.244 0.031 A 48 GLU C C 13 177.578 0.5 A 48 GLU CA C 13 60.066 0.04 A 48 GLU CB C 13 29.343 0.02 A 48 GLU CG C 13 36.577 0.5 A 48 GLU N N 15 117.612 0.006 A 49 THR H H 1 6.624 0.018 A 49 THR HA H 1 4.414 0.022 A 49 THR HB H 1 4.233 0.05 A 49 THR HG2% H 1 0.958 0.012 A 49 THR C C 13 175.232 0.5 A 49 THR CA C 13 59.873 0.009 A 49 THR CB C 13 69.188 0.022 A 49 THR CG2 C 13 22.264 0.5 A 49 THR N N 15 103.078 0.021 A 50 LYS H H 1 7.828 0.019 A 50 LYS HA H 1 4.139 0.02 A 50 LYS HB2 H 1 1.923 0.045 A 50 LYS HB3 H 1 1.923 0.045 A 50 LYS HG2 H 1 1.169 0.016 A 50 LYS HG3 H 1 1.169 0.016 A 50 LYS C C 13 174.786 0.5 A 50 LYS CA C 13 55.981 0.016 A 50 LYS CB C 13 29.258 0.012 A 50 LYS CD C 13 27.152 0.5 A 50 LYS CG C 13 23.873 0.5 A 50 LYS N N 15 123.628 0.009 A 51 THR H H 1 7.216 0.04 A 51 THR HA H 1 5.433 0.031 A 51 THR HB H 1 3.617 0.003 A 51 THR HG2% H 1 0.868 0.053 A 51 THR C C 13 174.574 0.5 A 51 THR CA C 13 62.224 0.065 A 51 THR CB C 13 72.346 0.031 A 51 THR CG2 C 13 20.654 0.5 A 51 THR N N 15 110.763 0.02 A 52 PHE H H 1 10.222 0.016 A 52 PHE HA H 1 5.447 0.05 A 52 PHE HBy H 1 3.125 0.035 A 52 PHE HBx H 1 2.995 0.051 A 52 PHE HD1 H 1 7.655 0.052 A 52 PHE HD2 H 1 7.655 0.052 A 52 PHE HE1 H 1 7.047 0.04 A 52 PHE HE2 H 1 7.047 0.04 A 52 PHE C C 13 174.401 0.5 A 52 PHE CA C 13 57.269 0.029 A 52 PHE CB C 13 42.143 0.047 A 52 PHE CD1 C 13 131.914 0.5 A 52 PHE CD2 C 13 131.914 0.5 A 52 PHE CE1 C 13 132.641 0.5 A 52 PHE CE2 C 13 132.641 0.5 A 52 PHE N N 15 130.993 0.029 A 53 THR H H 1 9.099 0.02 A 53 THR HA H 1 5.108 0.03 A 53 THR HB H 1 3.708 0.047 A 53 THR HG2% H 1 0.887 0.039 A 53 THR C C 13 172.565 0.5 A 53 THR CA C 13 61.737 0.172 A 53 THR CB C 13 70.663 0.206 A 53 THR CG2 C 13 20.683 0.5 A 53 THR N N 15 117.968 0.024 A 54 VAL H H 1 8.496 0.042 A 54 VAL HA H 1 4.41 0.033 A 54 VAL HB H 1 0.379 0.026 A 54 VAL HGx% H 1 0.238 0.028 A 54 VAL HGy% H 1 -0.689 0.036 A 54 VAL C C 13 173.79 0.5 A 54 VAL CA C 13 59.103 0.048 A 54 VAL CB C 13 32.651 0.131 A 54 VAL CG1 C 13 18.956 0.5 A 54 VAL CG2 C 13 18.956 0.5 A 54 VAL N N 15 125.071 0.039 A 55 THR H H 1 8.265 0.032 A 55 THR HA H 1 4.792 0.048 A 55 THR HB H 1 3.868 0.037 A 55 THR HG2% H 1 1.132 0.037 A 55 THR C C 13 173.789 0.5 A 55 THR CA C 13 61.035 0.5 A 55 THR CB C 13 71.261 0.034 A 55 THR CG2 C 13 21.268 0.5 A 55 THR N N 15 122.202 0.021 A 56 GLU H H 1 7.885 0.019 A 56 GLU HA H 1 4.739 0.015 A 56 GLU CA C 13 58.342 0.5 A 56 GLU CB C 13 31.705 0.5 A 56 GLU N N 15 130.945 0.02 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 1 THR HA A 1 THR HB 1.0 1.8 4.0 2 2 A 1 THR HA A 1 THR HG2% 1.0 1.8 4.0 3 3 A 1 THR HA A 1 THR HB 1.0 1.3 4.5 4 4 A 1 THR HB A 1 THR HG2% 1.0 1.8 3.0 5 5 A 1 THR HA A 1 THR HG2% 1.0 1.8 3.0 6 6 A 1 THR HB A 1 THR HG2% 1.0 1.8 5.5 7 7 A 2 THR HA A 2 THR HB 1.0 1.8 4.0 8 8 A 2 THR HA A 2 THR HG2% 1.0 1.8 4.0 9 9 A 2 THR HA A 2 THR H 1.0 1.8 3.0 10 10 A 2 THR HA A 19 GLU HA 1.0 1.8 3.0 11 11 A 2 THR HA A 2 THR HB 1.0 1.8 5.5 12 12 A 2 THR HB A 2 THR HG2% 1.0 1.8 3.0 13 13 A 2 THR HB A 2 THR H 1.0 1.8 5.5 14 14 A 2 THR HA A 2 THR HG2% 1.0 1.8 4.0 15 15 A 2 THR HB A 2 THR HG2% 1.0 1.8 4.0 16 16 A 2 THR HG2% A 3 TYR HA 1.0 1.8 4.0 17 17 A 3 TYR HA A 3 TYR HBx 1.0 1.8 4.0 18 18 A 3 TYR HA A 3 TYR HBy 1.0 1.8 4.0 19 19 A 3 TYR HA A 3 TYR HD% 1.0 1.8 4.0 20 20 A 3 TYR HA A 3 TYR H 1.0 1.8 3.0 21 21 A 3 TYR HA A 3 TYR HBx 1.0 1.8 4.0 22 22 A 3 TYR HA A 3 TYR HBy 1.0 1.8 5.5 23 23 A 3 TYR HBx A 3 TYR HBy 1.0 1.8 3.0 24 24 A 3 TYR HBx A 3 TYR HBy 1.0 1.8 3.0 25 25 A 3 TYR HBx A 3 TYR HD% 1.0 1.8 3.0 26 26 A 3 TYR HBy A 3 TYR HD% 1.0 1.8 3.0 27 27 A 3 TYR HBx A 3 TYR H 1.0 1.8 4.0 28 28 A 3 TYR HBy A 3 TYR H 1.0 1.8 4.0 29 29 A 3 TYR HBx A 18 LYS HBy 1.0 1.8 5.5 30 30 A 4 LYS HA A 4 LYS HBy 1.0 1.8 3.0 31 31 A 4 LYS HA A 4 LYS HG2 1.0 1.8 3.0 32 31 A 4 LYS HA A 4 LYS HG3 1.0 1.8 3.0 33 32 A 4 LYS HA A 4 LYS H 1.0 1.8 3.0 34 33 A 4 LYS HA A 17 ILE HD1% 1.0 1.8 4.0 35 34 A 4 LYS HA A 18 LYS H 1.0 1.8 4.0 36 35 A 4 LYS HA A 4 LYS HBx 1.0 1.8 4.0 37 36 A 4 LYS HA A 4 LYS HBy 1.0 1.8 4.0 38 37 A 4 LYS HBy A 4 LYS HG2 1.0 1.8 3.0 39 37 A 4 LYS HBy A 4 LYS HG3 1.0 1.8 3.0 40 38 A 4 LYS H A 4 LYS HBx 1.0 1.8 5.5 41 39 A 4 LYS HBy A 4 LYS H 1.0 1.8 5.5 42 40 A 4 LYS HBy A 17 ILE HD1% 1.0 1.8 3.0 43 41 A 4 LYS HBy A 4 LYS HG2 1.0 1.8 3.0 44 41 A 4 LYS HBy A 4 LYS HG3 1.0 1.8 3.0 45 42 A 17 ILE HD1% A 4 LYS HG2 1.0 1.8 3.0 46 42 A 4 LYS HG3 A 17 ILE HD1% 1.0 1.8 3.0 47 43 A 5 LEU HA A 5 LEU HBy 1.0 1.8 5.5 48 44 A 5 LEU HA A 5 LEU H 1.0 1.8 5.5 49 45 A 5 LEU HA A 18 LYS HG2 1.0 2.3 6.0 50 45 A 5 LEU HA A 18 LYS HG3 1.0 2.3 6.0 51 46 A 5 LEU HA A 52 PHE HBy 1.0 1.8 5.5 52 47 A 5 LEU HA A 5 LEU HBx 1.0 1.8 5.5 53 48 A 5 LEU HA A 5 LEU HBy 1.0 1.8 4.0 54 49 A 5 LEU HBy A 5 LEU HBx 1.0 1.8 3.0 55 50 A 5 LEU HBy A 5 LEU HBx 1.0 1.8 3.0 56 51 A 5 LEU HBx A 5 LEU HDy% 1.0 1.8 4.0 57 52 A 5 LEU HBy A 5 LEU HDy% 1.0 1.8 4.0 58 53 A 5 LEU H A 5 LEU HBx 1.0 1.8 4.0 59 54 A 5 LEU HBy A 5 LEU H 1.0 1.8 4.0 60 55 A 5 LEU HBx A 17 ILE HA 1.0 1.8 5.5 61 56 A 5 LEU HBx A 30 PHE HD% 1.0 1.8 5.5 62 57 A 5 LEU HBy A 30 PHE HD% 1.0 2.8 6.0 63 58 A 5 LEU HA A 5 LEU HDy% 1.0 1.8 4.0 64 59 A 5 LEU HDy% A 7 LEU HDx% 1.0 1.8 3.0 65 60 A 5 LEU HDy% A 33 TYR HBx 1.0 1.8 3.0 66 61 A 5 LEU HDy% A 33 TYR HD% 1.0 1.8 4.0 67 62 A 7 LEU HA A 7 LEU HBy 1.0 1.8 5.5 68 63 A 7 LEU HA A 7 LEU H 1.0 1.8 3.0 69 64 A 7 LEU HA A 54 VAL HGx% 1.0 1.8 4.0 70 65 A 7 LEU HA A 7 LEU HBx 1.0 1.8 4.0 71 66 A 7 LEU HA A 7 LEU HBy 1.0 1.8 4.0 72 67 A 7 LEU HBy A 7 LEU HBx 1.0 1.8 3.0 73 68 A 7 LEU HBy A 7 LEU HBx 1.0 1.8 3.0 74 69 A 7 LEU HBy A 7 LEU HG 1.0 1.8 3.0 75 70 A 7 LEU H A 7 LEU HBx 1.0 1.8 4.0 76 71 A 7 LEU HBy A 7 LEU H 1.0 1.8 4.0 77 72 A 7 LEU HDx% A 7 LEU HBx 1.0 1.8 4.0 78 73 A 7 LEU HDx% A 7 LEU HBy 1.0 1.8 3.0 79 74 A 7 LEU HDx% A 33 TYR HH 1.0 1.8 4.0 80 75 A 9 LEU HA A 9 LEU HBy 1.0 1.8 5.5 81 76 A 9 LEU HA A 9 LEU H 1.0 1.8 5.5 82 77 A 9 LEU HA A 9 LEU HBx 1.0 1.8 4.0 83 78 A 9 LEU HA A 9 LEU HBy 1.0 1.8 4.0 84 79 A 9 LEU HBy A 9 LEU HDx% 1.0 1.8 3.0 85 80 A 9 LEU HBy A 9 LEU HG 1.0 1.8 3.0 86 81 A 9 LEU H A 9 LEU HBx 1.0 1.8 4.0 87 82 A 9 LEU HBy A 9 LEU H 1.0 1.8 5.5 88 83 A 9 LEU HBx A 10 LYS H 1.0 1.8 5.5 89 84 A 9 LEU HBy A 10 LYS H 1.0 1.8 4.0 90 85 A 9 LEU HA A 9 LEU HDx% 1.0 1.8 5.5 91 86 A 9 LEU HBy A 9 LEU HDx% 1.0 1.8 4.0 92 87 A 9 LEU HDx% A 9 LEU HG 1.0 1.8 5.5 93 88 A 9 LEU HA A 9 LEU HG 1.0 2.8 6.0 94 89 A 9 LEU HBy A 9 LEU HG 1.0 1.8 5.5 95 90 A 9 LEU HDx% A 9 LEU HG 1.0 1.8 3.0 96 91 A 9 LEU H A 9 LEU HG 1.0 2.8 6.0 97 92 A 10 LYS HA A 10 LYS HB2 1.0 1.8 3.0 98 92 A 10 LYS HA A 10 LYS HB3 1.0 1.8 3.0 99 93 A 10 LYS HA A 10 LYS HG2 1.0 1.8 3.0 100 93 A 10 LYS HA A 10 LYS HG3 1.0 1.8 3.0 101 94 A 10 LYS HA A 11 GLN H 1.0 1.8 4.0 102 95 A 10 LYS HA A 10 LYS HB2 1.0 1.8 4.0 103 95 A 10 LYS HA A 10 LYS HB3 1.0 1.8 4.0 104 96 A 10 LYS HB3 A 10 LYS HG2 1.0 1.8 3.0 105 96 A 10 LYS HB2 A 10 LYS HG2 1.0 1.8 3.0 106 96 A 10 LYS HG3 A 10 LYS HB2 1.0 1.8 3.0 107 96 A 10 LYS HB3 A 10 LYS HG3 1.0 1.8 3.0 108 97 A 10 LYS H A 10 LYS HB2 1.0 1.8 4.0 109 97 A 10 LYS H A 10 LYS HB3 1.0 1.8 4.0 110 98 A 10 LYS HB3 A 10 LYS HG2 1.0 1.8 3.0 111 98 A 10 LYS HB2 A 10 LYS HG2 1.0 1.8 3.0 112 98 A 10 LYS HG3 A 10 LYS HB2 1.0 1.8 3.0 113 98 A 10 LYS HB3 A 10 LYS HG3 1.0 1.8 3.0 114 99 A 10 LYS HE3 A 10 LYS HG2 1.0 1.8 4.0 115 99 A 10 LYS HE2 A 10 LYS HG2 1.0 1.8 4.0 116 99 A 10 LYS HG3 A 10 LYS HE2 1.0 1.8 4.0 117 99 A 10 LYS HG3 A 10 LYS HE3 1.0 1.8 4.0 118 100 A 11 GLN HA A 11 GLN HG2 1.0 2.8 6.0 119 100 A 11 GLN HG3 A 11 GLN HA 1.0 2.8 6.0 120 101 A 11 GLN HB2 A 11 GLN HG2 1.0 1.8 4.0 121 101 A 11 GLN HB3 A 11 GLN HG2 1.0 1.8 4.0 122 101 A 11 GLN HG3 A 11 GLN HB2 1.0 1.8 4.0 123 101 A 11 GLN HG3 A 11 GLN HB3 1.0 1.8 4.0 124 102 A 11 GLN H A 11 GLN HG2 1.0 1.8 5.5 125 102 A 11 GLN H A 11 GLN HG3 1.0 1.8 5.5 126 103 A 12 ALA HA A 12 ALA HB% 1.0 1.8 3.0 127 104 A 12 ALA HA A 12 ALA H 1.0 1.8 4.0 128 105 A 12 ALA HA A 13 LYS H 1.0 1.8 3.0 129 106 A 12 ALA HA A 12 ALA HB% 1.0 1.8 3.0 130 107 A 13 LYS HA A 8 ASN HA 1.0 1.8 3.0 131 108 A 9 LEU H A 13 LYS HA 1.0 1.8 4.0 132 109 A 13 LYS HA A 13 LYS HB2 1.0 1.8 3.0 133 109 A 13 LYS HA A 13 LYS HB3 1.0 1.8 3.0 134 110 A 13 LYS HA A 13 LYS HG2 1.0 1.8 3.0 135 110 A 13 LYS HA A 13 LYS HG3 1.0 1.8 3.0 136 111 A 13 LYS H A 13 LYS HA 1.0 1.8 3.0 137 112 A 13 LYS HA A 13 LYS HB2 1.0 1.8 5.5 138 112 A 13 LYS HA A 13 LYS HB3 1.0 1.8 5.5 139 113 A 13 LYS HB2 A 13 LYS HG2 1.0 1.8 3.0 140 113 A 13 LYS HB3 A 13 LYS HG2 1.0 1.8 3.0 141 113 A 13 LYS HG3 A 13 LYS HB2 1.0 1.8 3.0 142 113 A 13 LYS HB3 A 13 LYS HG3 1.0 1.8 3.0 143 114 A 13 LYS HB2 A 13 LYS HE2 1.0 1.8 3.0 144 114 A 13 LYS HB3 A 13 LYS HE2 1.0 1.8 3.0 145 114 A 13 LYS HE3 A 13 LYS HB2 1.0 1.8 3.0 146 114 A 13 LYS HB3 A 13 LYS HE3 1.0 1.8 3.0 147 115 A 13 LYS HE2 A 13 LYS HG2 1.0 1.8 3.0 148 115 A 13 LYS HE3 A 13 LYS HG2 1.0 1.8 3.0 149 115 A 13 LYS HG3 A 13 LYS HE2 1.0 1.8 3.0 150 115 A 13 LYS HG3 A 13 LYS HE3 1.0 1.8 3.0 151 116 A 13 LYS HB2 A 13 LYS HG2 1.0 1.8 3.0 152 116 A 13 LYS HB3 A 13 LYS HG2 1.0 1.8 3.0 153 116 A 13 LYS HG3 A 13 LYS HB2 1.0 1.8 3.0 154 116 A 13 LYS HB3 A 13 LYS HG3 1.0 1.8 3.0 155 117 A 14 GLU HA A 14 GLU HB2 1.0 1.8 5.5 156 117 A 14 GLU HA A 14 GLU HB3 1.0 1.8 5.5 157 118 A 14 GLU HA A 14 GLU HG2 1.0 2.8 6.0 158 118 A 14 GLU HA A 14 GLU HG3 1.0 2.8 6.0 159 119 A 14 GLU HA A 14 GLU H 1.0 1.8 5.5 160 120 A 7 LEU HDx% A 14 GLU HB2 1.0 1.8 4.0 161 120 A 7 LEU HDx% A 14 GLU HB3 1.0 1.8 4.0 162 121 A 14 GLU HA A 14 GLU HB2 1.0 1.8 4.0 163 121 A 14 GLU HA A 14 GLU HB3 1.0 1.8 4.0 164 122 A 14 GLU HB2 A 14 GLU HG2 1.0 1.8 4.0 165 122 A 14 GLU HB3 A 14 GLU HG2 1.0 1.8 4.0 166 122 A 14 GLU HG3 A 14 GLU HB2 1.0 1.8 4.0 167 122 A 14 GLU HB3 A 14 GLU HG3 1.0 1.8 4.0 168 123 A 14 GLU H A 14 GLU HB2 1.0 1.8 4.0 169 123 A 14 GLU HB3 A 14 GLU H 1.0 1.8 4.0 170 124 A 14 GLU HA A 14 GLU HG2 1.0 1.8 4.0 171 124 A 14 GLU HA A 14 GLU HG3 1.0 1.8 4.0 172 125 A 14 GLU HB2 A 14 GLU HG2 1.0 1.8 3.0 173 125 A 14 GLU HB3 A 14 GLU HG2 1.0 1.8 3.0 174 125 A 14 GLU HG3 A 14 GLU HB2 1.0 1.8 3.0 175 125 A 14 GLU HB3 A 14 GLU HG3 1.0 1.8 3.0 176 126 A 7 LEU HDx% A 15 GLU HA 1.0 1.8 4.0 177 127 A 7 LEU H A 15 GLU HA 1.0 1.8 3.0 178 128 A 15 GLU HA A 15 GLU HB2 1.0 1.8 3.0 179 128 A 15 GLU HA A 15 GLU HB3 1.0 1.8 3.0 180 129 A 15 GLU HA A 15 GLU HG2 1.0 1.8 4.0 181 129 A 15 GLU HA A 15 GLU HG3 1.0 1.8 4.0 182 130 A 15 GLU HA A 15 GLU H 1.0 1.8 3.0 183 131 A 15 GLU HA A 16 ALA HB% 1.0 1.8 4.0 184 132 A 15 GLU HB2 A 15 GLU HG2 1.0 1.8 3.0 185 132 A 15 GLU HB3 A 15 GLU HG2 1.0 1.8 3.0 186 132 A 15 GLU HG3 A 15 GLU HB2 1.0 1.8 3.0 187 132 A 15 GLU HB3 A 15 GLU HG3 1.0 1.8 3.0 188 133 A 15 GLU HA A 15 GLU HG2 1.0 1.8 4.0 189 133 A 15 GLU HA A 15 GLU HG3 1.0 1.8 4.0 190 134 A 15 GLU HB2 A 15 GLU HG2 1.0 1.8 3.0 191 134 A 15 GLU HB3 A 15 GLU HG2 1.0 1.8 3.0 192 134 A 15 GLU HG3 A 15 GLU HB2 1.0 1.8 3.0 193 134 A 15 GLU HB3 A 15 GLU HG3 1.0 1.8 3.0 194 135 A 16 ALA HB% A 16 ALA HA 1.0 1.8 3.0 195 136 A 4 LYS HA A 17 ILE HA 1.0 1.8 3.0 196 137 A 17 ILE HA A 4 LYS HG2 1.0 1.8 4.0 197 137 A 4 LYS HG3 A 17 ILE HA 1.0 1.8 4.0 198 138 A 5 LEU H A 17 ILE HA 1.0 1.8 3.0 199 139 A 17 ILE HD1% A 17 ILE HA 1.0 1.8 3.0 200 140 A 17 ILE HA A 17 ILE HG12 1.0 1.8 4.0 201 140 A 17 ILE HA A 17 ILE HG13 1.0 1.8 4.0 202 141 A 17 ILE HA A 17 ILE H 1.0 1.8 4.0 203 142 A 17 ILE HA A 30 PHE HE% 1.0 1.8 4.0 204 143 A 17 ILE HD1% A 17 ILE HB 1.0 1.8 4.0 205 144 A 17 ILE HB A 17 ILE HG12 1.0 1.8 3.0 206 144 A 17 ILE HG13 A 17 ILE HB 1.0 1.8 3.0 207 145 A 17 ILE HA A 17 ILE HG12 1.0 1.8 5.5 208 145 A 17 ILE HA A 17 ILE HG13 1.0 1.8 5.5 209 146 A 17 ILE HB A 17 ILE HG12 1.0 1.8 5.5 210 146 A 17 ILE HG13 A 17 ILE HB 1.0 1.8 5.5 211 147 A 17 ILE HD1% A 17 ILE HG12 1.0 1.8 4.0 212 147 A 17 ILE HD1% A 17 ILE HG13 1.0 1.8 4.0 213 148 A 18 LYS HA A 18 LYS HBx 1.0 1.8 4.0 214 149 A 18 LYS HA A 18 LYS HD2 1.0 1.8 5.5 215 149 A 18 LYS HA A 18 LYS HD3 1.0 1.8 5.5 216 150 A 18 LYS HA A 18 LYS HG2 1.0 2.8 6.0 217 150 A 18 LYS HG3 A 18 LYS HA 1.0 2.8 6.0 218 151 A 18 LYS HA A 18 LYS HBx 1.0 1.8 4.0 219 152 A 18 LYS HBy A 18 LYS HA 1.0 1.8 4.0 220 153 A 18 LYS HBx A 18 LYS HD2 1.0 1.8 4.0 221 153 A 18 LYS HBx A 18 LYS HD3 1.0 1.8 4.0 222 154 A 18 LYS HBy A 18 LYS HD2 1.0 1.8 4.0 223 154 A 18 LYS HBy A 18 LYS HD3 1.0 1.8 4.0 224 155 A 18 LYS HBx A 18 LYS HG2 1.0 1.8 3.0 225 155 A 18 LYS HG3 A 18 LYS HBx 1.0 1.8 3.0 226 156 A 18 LYS HBy A 18 LYS HG2 1.0 1.8 3.0 227 156 A 18 LYS HBy A 18 LYS HG3 1.0 1.8 3.0 228 157 A 18 LYS H A 18 LYS HBx 1.0 1.8 5.5 229 158 A 18 LYS HBy A 18 LYS H 1.0 1.8 5.5 230 159 A 30 PHE HD% A 18 LYS HBx 1.0 1.8 5.5 231 160 A 18 LYS HBy A 30 PHE HD% 1.0 1.8 5.5 232 161 A 30 PHE HE% A 18 LYS HBx 1.0 1.8 5.5 233 162 A 18 LYS HBy A 30 PHE HE% 1.0 1.8 5.5 234 163 A 18 LYS HBx A 18 LYS HG2 1.0 1.8 4.0 235 163 A 18 LYS HG3 A 18 LYS HBx 1.0 1.8 4.0 236 164 A 2 THR H A 19 GLU HA 1.0 2.3 4.5 237 165 A 19 GLU HA A 3 TYR HD% 1.0 1.8 5.5 238 166 A 19 GLU HA A 19 GLU H 1.0 1.8 5.5 239 167 A 19 GLU HB2 A 19 GLU HG2 1.0 1.8 3.0 240 167 A 19 GLU HB3 A 19 GLU HG2 1.0 1.8 3.0 241 167 A 19 GLU HG3 A 19 GLU HB2 1.0 1.8 3.0 242 167 A 19 GLU HB3 A 19 GLU HG3 1.0 1.8 3.0 243 168 A 19 GLU H A 19 GLU HB2 1.0 1.8 4.0 244 168 A 19 GLU H A 19 GLU HB3 1.0 1.8 4.0 245 169 A 19 GLU HA A 19 GLU HG2 1.0 1.8 4.0 246 169 A 19 GLU HA A 19 GLU HG3 1.0 1.8 4.0 247 170 A 19 GLU HB2 A 19 GLU HG2 1.0 1.8 3.0 248 170 A 19 GLU HB3 A 19 GLU HG2 1.0 1.8 3.0 249 170 A 19 GLU HG3 A 19 GLU HB2 1.0 1.8 3.0 250 170 A 19 GLU HB3 A 19 GLU HG3 1.0 1.8 3.0 251 171 A 19 GLU H A 19 GLU HG2 1.0 1.8 4.0 252 171 A 19 GLU H A 19 GLU HG3 1.0 1.8 4.0 253 172 A 20 LEU HBx A 20 LEU HA 1.0 1.8 4.0 254 173 A 20 LEU HA A 20 LEU HBy 1.0 1.8 5.5 255 174 A 20 LEU HBx A 20 LEU HBy 1.0 1.8 3.0 256 175 A 20 LEU HBx A 20 LEU HG 1.0 1.8 4.0 257 176 A 20 LEU HBy A 20 LEU HG 1.0 1.8 4.0 258 177 A 20 LEU HBx A 20 LEU H 1.0 1.8 5.5 259 178 A 20 LEU HBy A 20 LEU H 1.0 2.8 6.0 260 179 A 20 LEU HBx A 21 VAL H 1.0 1.8 5.5 261 180 A 20 LEU HBy A 21 VAL H 1.0 1.8 5.5 262 181 A 3 TYR HE% A 22 ASP H 1.0 1.8 4.0 263 182 A 3 TYR HE% A 22 ASP H 1.0 1.8 5.5 264 183 A 21 VAL HB A 21 VAL HA 1.0 1.8 4.0 265 184 A 21 VAL HB A 21 VAL HGx% 1.0 1.8 3.0 266 185 A 21 VAL H A 21 VAL HB 1.0 1.8 4.0 267 186 A 21 VAL HA A 21 VAL HGx% 1.0 1.8 4.0 268 187 A 3 TYR HE% A 22 ASP HA 1.0 2.8 6.0 269 188 A 22 ASP HA A 22 ASP HBx 1.0 1.8 5.5 270 189 A 22 ASP HBx A 22 ASP HBy 1.0 1.8 3.0 271 190 A 22 ASP H A 22 ASP HBx 1.0 1.8 5.5 272 191 A 23 ALA HA A 23 ALA HB% 1.0 1.8 3.0 273 192 A 23 ALA HA A 23 ALA H 1.0 1.8 5.5 274 193 A 23 ALA HA A 26 ALA H 1.0 1.8 3.0 275 194 A 23 ALA HA A 23 ALA HB% 1.0 1.8 3.0 276 195 A 23 ALA HB% A 23 ALA H 1.0 1.8 3.0 277 196 A 24 ALA HA A 24 ALA HB% 1.0 1.8 3.0 278 197 A 24 ALA HA A 24 ALA H 1.0 1.8 4.0 279 198 A 24 ALA HA A 27 GLU H 1.0 1.8 4.0 280 199 A 24 ALA HA A 24 ALA HB% 1.0 1.8 3.0 281 200 A 24 ALA HB% A 24 ALA H 1.0 1.8 3.0 282 201 A 25 THR HA A 25 THR HB 1.0 1.8 3.0 283 202 A 25 THR HA A 25 THR HG2% 1.0 1.8 4.0 284 203 A 25 THR HA A 27 GLU HB2 1.0 2.3 4.5 285 203 A 25 THR HA A 27 GLU HB3 1.0 2.3 4.5 286 204 A 25 THR HA A 25 THR HB 1.0 1.8 5.5 287 205 A 3 TYR HD% A 26 ALA HA 1.0 2.3 4.5 288 206 A 25 THR HG2% A 26 ALA HA 1.0 1.8 3.0 289 207 A 26 ALA HA A 26 ALA HB% 1.0 1.8 3.0 290 208 A 26 ALA H A 26 ALA HA 1.0 1.8 4.0 291 209 A 27 GLU H A 26 ALA HA 1.0 1.8 4.0 292 210 A 26 ALA HA A 28 LYS H 1.0 1.8 4.0 293 211 A 26 ALA HA A 29 TYR HB3 1.0 1.8 4.0 294 212 A 26 ALA HA A 29 TYR HB2 1.0 1.8 4.0 295 213 A 3 TYR HE% A 26 ALA HB% 1.0 1.8 3.0 296 214 A 23 ALA HA A 26 ALA HB% 1.0 1.8 4.0 297 215 A 23 ALA HB% A 26 ALA HB% 1.0 1.8 3.0 298 216 A 26 ALA HA A 26 ALA HB% 1.0 1.8 3.0 299 217 A 26 ALA H A 26 ALA HB% 1.0 1.8 5.5 300 218 A 27 GLU HA A 27 GLU HB2 1.0 1.8 4.0 301 218 A 27 GLU HB3 A 27 GLU HA 1.0 1.8 4.0 302 219 A 27 GLU HA A 27 GLU HG2 1.0 1.8 3.0 303 219 A 27 GLU HA A 27 GLU HG3 1.0 1.8 3.0 304 220 A 27 GLU H A 27 GLU HA 1.0 1.8 4.0 305 221 A 27 GLU HA A 52 PHE HD% 1.0 1.8 5.5 306 222 A 27 GLU HA A 52 PHE HE% 1.0 1.8 4.0 307 223 A 24 ALA HA A 27 GLU HB2 1.0 1.8 3.0 308 223 A 24 ALA HA A 27 GLU HB3 1.0 1.8 3.0 309 224 A 27 GLU HA A 27 GLU HB2 1.0 1.8 5.5 310 224 A 27 GLU HB3 A 27 GLU HA 1.0 1.8 5.5 311 225 A 27 GLU HB2 A 27 GLU HG2 1.0 1.8 3.0 312 225 A 27 GLU HB3 A 27 GLU HG2 1.0 1.8 3.0 313 225 A 27 GLU HG3 A 27 GLU HB2 1.0 1.8 3.0 314 225 A 27 GLU HB3 A 27 GLU HG3 1.0 1.8 3.0 315 226 A 27 GLU H A 27 GLU HB2 1.0 1.8 3.0 316 226 A 27 GLU H A 27 GLU HB3 1.0 1.8 3.0 317 227 A 28 LYS H A 27 GLU HB2 1.0 1.8 4.0 318 227 A 27 GLU HB3 A 28 LYS H 1.0 1.8 4.0 319 228 A 29 TYR H A 27 GLU HB2 1.0 1.8 5.5 320 228 A 27 GLU HB3 A 29 TYR H 1.0 1.8 5.5 321 229 A 27 GLU HA A 27 GLU HG2 1.0 1.8 4.0 322 229 A 27 GLU HA A 27 GLU HG3 1.0 1.8 4.0 323 230 A 27 GLU HB2 A 27 GLU HG2 1.0 1.8 5.5 324 230 A 27 GLU HB3 A 27 GLU HG2 1.0 1.8 5.5 325 230 A 27 GLU HG3 A 27 GLU HB2 1.0 1.8 5.5 326 230 A 27 GLU HB3 A 27 GLU HG3 1.0 1.8 5.5 327 231 A 52 PHE HE% A 27 GLU HG2 1.0 1.8 5.5 328 231 A 27 GLU HG3 A 52 PHE HE% 1.0 1.8 5.5 329 232 A 28 LYS HA A 28 LYS HB2 1.0 1.8 3.0 330 232 A 28 LYS HA A 28 LYS HB3 1.0 1.8 3.0 331 233 A 28 LYS HA A 28 LYS HG2 1.0 1.8 3.0 332 233 A 28 LYS HA A 28 LYS HG3 1.0 1.8 3.0 333 234 A 28 LYS H A 28 LYS HA 1.0 1.8 4.0 334 235 A 29 TYR H A 28 LYS HA 1.0 1.8 5.5 335 236 A 28 LYS HA A 31 LYS HG2 1.0 1.8 5.5 336 236 A 28 LYS HA A 31 LYS HG3 1.0 1.8 5.5 337 237 A 28 LYS HA A 31 LYS H 1.0 1.8 5.5 338 238 A 25 THR HA A 28 LYS HB2 1.0 1.8 4.0 339 238 A 25 THR HA A 28 LYS HB3 1.0 1.8 4.0 340 239 A 28 LYS HA A 28 LYS HB2 1.0 1.8 3.0 341 239 A 28 LYS HA A 28 LYS HB3 1.0 1.8 3.0 342 240 A 28 LYS HB2 A 28 LYS HG2 1.0 1.8 3.0 343 240 A 28 LYS HB3 A 28 LYS HG2 1.0 1.8 3.0 344 240 A 28 LYS HG3 A 28 LYS HB2 1.0 1.8 3.0 345 240 A 28 LYS HB3 A 28 LYS HG3 1.0 1.8 3.0 346 241 A 28 LYS H A 28 LYS HB2 1.0 1.8 3.0 347 241 A 28 LYS H A 28 LYS HB3 1.0 1.8 3.0 348 242 A 29 TYR H A 28 LYS HB2 1.0 1.8 4.0 349 242 A 29 TYR H A 28 LYS HB3 1.0 1.8 4.0 350 243 A 28 LYS HB3 A 28 LYS HE2 1.0 1.8 3.0 351 243 A 28 LYS HB2 A 28 LYS HE2 1.0 1.8 3.0 352 243 A 28 LYS HE3 A 28 LYS HB2 1.0 1.8 3.0 353 243 A 28 LYS HB3 A 28 LYS HE3 1.0 1.8 3.0 354 244 A 28 LYS HE2 A 28 LYS HG2 1.0 1.8 3.0 355 244 A 28 LYS HE3 A 28 LYS HG2 1.0 1.8 3.0 356 244 A 28 LYS HG3 A 28 LYS HE2 1.0 1.8 3.0 357 244 A 28 LYS HG3 A 28 LYS HE3 1.0 1.8 3.0 358 245 A 28 LYS HB2 A 28 LYS HG2 1.0 1.8 3.0 359 245 A 28 LYS HG3 A 28 LYS HB2 1.0 1.8 3.0 360 245 A 28 LYS HB3 A 28 LYS HG3 1.0 1.8 3.0 361 245 A 28 LYS HB3 A 28 LYS HG2 1.0 1.8 3.0 362 246 A 29 TYR HB3 A 29 TYR HA 1.0 1.8 3.0 363 247 A 29 TYR HB2 A 29 TYR HA 1.0 1.8 4.0 364 248 A 29 TYR HA A 29 TYR HD% 1.0 1.8 4.0 365 249 A 29 TYR H A 29 TYR HA 1.0 1.8 4.0 366 250 A 29 TYR HA A 30 PHE H 1.0 1.8 5.5 367 251 A 29 TYR HA A 32 LEU HBy 1.0 1.8 4.0 368 252 A 26 ALA HA A 29 TYR HB2 1.0 1.8 4.0 369 253 A 29 TYR HB3 A 29 TYR HA 1.0 1.8 4.0 370 254 A 29 TYR HB2 A 29 TYR HA 1.0 1.8 4.0 371 255 A 29 TYR HB3 A 29 TYR HB2 1.0 1.8 3.0 372 256 A 29 TYR HB3 A 29 TYR HB2 1.0 1.8 3.0 373 257 A 29 TYR HB3 A 29 TYR HD% 1.0 1.8 4.0 374 258 A 29 TYR HB2 A 29 TYR HD% 1.0 1.8 4.0 375 259 A 29 TYR HB3 A 29 TYR H 1.0 1.8 4.0 376 260 A 29 TYR HB2 A 29 TYR H 1.0 1.8 4.0 377 261 A 29 TYR HB3 A 30 PHE H 1.0 1.8 4.0 378 262 A 29 TYR HB2 A 30 PHE H 1.0 1.8 4.0 379 263 A 30 PHE HA A 30 PHE HBx 1.0 1.8 5.5 380 264 A 30 PHE HA A 30 PHE HBy 1.0 2.8 6.0 381 265 A 5 LEU HDy% A 30 PHE HBx 1.0 1.8 4.0 382 266 A 5 LEU HDy% A 30 PHE HBy 1.0 1.8 4.0 383 267 A 27 GLU H A 30 PHE HBx 1.0 1.8 5.5 384 268 A 27 GLU H A 30 PHE HBy 1.0 1.8 5.5 385 269 A 30 PHE HA A 30 PHE HBx 1.0 1.8 4.0 386 270 A 30 PHE HA A 30 PHE HBy 1.0 1.8 4.0 387 271 A 30 PHE HBx A 30 PHE HBy 1.0 1.8 3.0 388 272 A 30 PHE HBx A 30 PHE HBy 1.0 1.8 3.0 389 273 A 30 PHE HD% A 30 PHE HBx 1.0 1.8 3.0 390 274 A 30 PHE HD% A 30 PHE HBy 1.0 1.8 3.0 391 275 A 30 PHE H A 30 PHE HBx 1.0 1.8 4.0 392 276 A 30 PHE H A 30 PHE HBy 1.0 1.8 4.0 393 277 A 30 PHE H A 30 PHE HBy 1.0 1.8 4.0 394 278 A 30 PHE HBx A 31 LYS HBx 1.0 1.8 5.5 395 279 A 31 LYS HBx A 31 LYS HA 1.0 1.8 3.0 396 280 A 31 LYS HA A 31 LYS HBy 1.0 1.8 3.0 397 281 A 31 LYS HA A 31 LYS HD2 1.0 1.8 4.0 398 281 A 31 LYS HA A 31 LYS HD3 1.0 1.8 4.0 399 282 A 31 LYS HA A 31 LYS HG2 1.0 1.8 3.0 400 282 A 31 LYS HG3 A 31 LYS HA 1.0 1.8 3.0 401 283 A 31 LYS H A 31 LYS HA 1.0 1.8 4.0 402 284 A 31 LYS HA A 32 LEU H 1.0 1.8 4.0 403 285 A 28 LYS HA A 31 LYS HBx 1.0 1.8 4.0 404 286 A 28 LYS HA A 31 LYS HBy 1.0 1.8 5.5 405 287 A 31 LYS HBx A 31 LYS HA 1.0 1.8 4.0 406 288 A 31 LYS HA A 31 LYS HBy 1.0 1.8 4.0 407 289 A 31 LYS HBx A 31 LYS HBy 1.0 1.8 3.0 408 290 A 31 LYS HBx A 31 LYS HBy 1.0 1.8 3.0 409 291 A 31 LYS HBx A 31 LYS HD2 1.0 1.8 4.0 410 291 A 31 LYS HBx A 31 LYS HD3 1.0 1.8 4.0 411 292 A 31 LYS HBy A 31 LYS HD2 1.0 1.8 4.0 412 292 A 31 LYS HBy A 31 LYS HD3 1.0 1.8 4.0 413 293 A 31 LYS HBx A 31 LYS HG2 1.0 1.8 3.0 414 293 A 31 LYS HG3 A 31 LYS HBx 1.0 1.8 3.0 415 294 A 31 LYS HBy A 31 LYS HG2 1.0 1.8 4.0 416 294 A 31 LYS HG3 A 31 LYS HBy 1.0 1.8 4.0 417 295 A 31 LYS H A 31 LYS HBx 1.0 1.8 4.0 418 296 A 31 LYS H A 31 LYS HBy 1.0 1.8 4.0 419 297 A 31 LYS HBx A 43 TRP HZ2 1.0 2.3 6.0 420 298 A 31 LYS HBy A 43 TRP HZ2 1.0 2.3 6.0 421 299 A 31 LYS HBy A 31 LYS HD2 1.0 1.8 4.0 422 299 A 31 LYS HBy A 31 LYS HD3 1.0 1.8 4.0 423 300 A 32 LEU HA A 32 LEU HBx 1.0 1.8 4.0 424 301 A 32 LEU HA A 32 LEU HDx% 1.0 1.8 3.0 425 302 A 32 LEU HA A 32 LEU HG 1.0 1.8 3.0 426 303 A 32 LEU H A 32 LEU HA 1.0 1.8 4.0 427 304 A 32 LEU HA A 33 TYR H 1.0 1.8 5.5 428 305 A 32 LEU HA A 35 ASN HB2 1.0 1.8 4.0 429 305 A 32 LEU HA A 35 ASN HB3 1.0 1.8 4.0 430 306 A 29 TYR HA A 32 LEU HBx 1.0 1.8 4.0 431 307 A 29 TYR HA A 32 LEU HBy 1.0 1.8 4.0 432 308 A 32 LEU HA A 32 LEU HBx 1.0 1.8 4.0 433 309 A 32 LEU HBy A 32 LEU HA 1.0 1.8 4.0 434 310 A 32 LEU HBx A 32 LEU HDx% 1.0 1.8 3.0 435 311 A 32 LEU HBy A 32 LEU HDx% 1.0 1.8 3.0 436 312 A 32 LEU HBx A 32 LEU HG 1.0 1.8 3.0 437 313 A 32 LEU H A 32 LEU HBx 1.0 1.8 4.0 438 314 A 32 LEU HBy A 32 LEU H 1.0 1.8 4.0 439 315 A 32 LEU HBx A 33 TYR H 1.0 1.8 5.5 440 316 A 32 LEU HBy A 33 TYR H 1.0 1.8 5.5 441 317 A 32 LEU HA A 32 LEU HDx% 1.0 1.8 4.0 442 318 A 32 LEU HBx A 32 LEU HDx% 1.0 1.8 3.0 443 319 A 32 LEU HBx A 32 LEU HG 1.0 1.8 3.0 444 320 A 32 LEU HDx% A 32 LEU HG 1.0 1.8 3.0 445 321 A 33 TYR HA A 33 TYR HBy 1.0 1.8 5.5 446 322 A 33 TYR H A 33 TYR HA 1.0 1.8 5.5 447 323 A 33 TYR HA A 36 ALA HB% 1.0 1.8 4.0 448 324 A 33 TYR HBx A 30 PHE HA 1.0 1.8 4.0 449 325 A 30 PHE HA A 33 TYR HBy 1.0 1.8 4.0 450 326 A 33 TYR HBx A 33 TYR HA 1.0 1.8 4.0 451 327 A 33 TYR HA A 33 TYR HBy 1.0 1.8 4.0 452 328 A 33 TYR HBx A 33 TYR HBy 1.0 1.8 3.0 453 329 A 33 TYR HBx A 33 TYR HBy 1.0 1.8 3.0 454 330 A 33 TYR HBx A 33 TYR HD% 1.0 1.8 4.0 455 331 A 33 TYR HBy A 33 TYR HE% 1.0 2.3 4.5 456 332 A 33 TYR HBx A 33 TYR H 1.0 1.8 4.0 457 333 A 33 TYR H A 33 TYR HBy 1.0 1.8 4.0 458 334 A 33 TYR HBx A 34 ALA H 1.0 1.8 4.0 459 335 A 33 TYR HBy A 34 ALA H 1.0 1.8 4.0 460 336 A 33 TYR HBx A 37 LYS HD2 1.0 1.8 5.5 461 336 A 33 TYR HBx A 37 LYS HD3 1.0 1.8 5.5 462 337 A 33 TYR HBx A 34 ALA HA 1.0 1.8 5.5 463 338 A 33 TYR HE% A 34 ALA HA 1.0 2.8 6.0 464 339 A 34 ALA HA A 34 ALA HB% 1.0 1.8 3.0 465 340 A 34 ALA H A 34 ALA HA 1.0 1.8 4.0 466 341 A 34 ALA HA A 35 ASN H 1.0 1.8 5.5 467 342 A 43 TRP HZ2 A 34 ALA HA 1.0 2.3 6.0 468 343 A 31 LYS HA A 34 ALA HB% 1.0 1.8 4.0 469 344 A 33 TYR HE% A 34 ALA HB% 1.0 1.8 4.0 470 345 A 34 ALA HA A 34 ALA HB% 1.0 1.8 3.0 471 346 A 34 ALA H A 34 ALA HB% 1.0 1.8 4.0 472 347 A 34 ALA HB% A 35 ASN H 1.0 1.8 4.0 473 348 A 43 TRP HZ2 A 34 ALA HB% 1.0 2.8 4.0 474 349 A 36 ALA HA A 35 ASN HB2 1.0 1.8 5.5 475 349 A 35 ASN HB3 A 36 ALA HA 1.0 1.8 5.5 476 350 A 36 ALA HB% A 36 ALA HA 1.0 1.8 3.0 477 351 A 36 ALA HA A 36 ALA H 1.0 1.8 4.0 478 352 A 36 ALA HB% A 36 ALA HA 1.0 1.8 3.0 479 353 A 36 ALA HB% A 36 ALA H 1.0 1.8 4.0 480 354 A 37 LYS HA A 37 LYS HB2 1.0 1.8 3.0 481 354 A 37 LYS HA A 37 LYS HB3 1.0 1.8 3.0 482 355 A 37 LYS HA A 37 LYS HD2 1.0 1.8 3.0 483 355 A 37 LYS HD3 A 37 LYS HA 1.0 1.8 3.0 484 356 A 37 LYS HA A 37 LYS HG2 1.0 1.8 3.0 485 356 A 37 LYS HA A 37 LYS HG3 1.0 1.8 3.0 486 357 A 37 LYS HA A 37 LYS H 1.0 1.8 5.5 487 358 A 37 LYS HA A 37 LYS HB2 1.0 1.8 4.0 488 358 A 37 LYS HA A 37 LYS HB3 1.0 1.8 4.0 489 359 A 37 LYS HB2 A 37 LYS HD2 1.0 1.8 3.0 490 359 A 37 LYS HB3 A 37 LYS HD2 1.0 1.8 3.0 491 359 A 37 LYS HD3 A 37 LYS HB2 1.0 1.8 3.0 492 359 A 37 LYS HD3 A 37 LYS HB3 1.0 1.8 3.0 493 360 A 37 LYS HB3 A 37 LYS HG2 1.0 1.8 3.0 494 360 A 37 LYS HB2 A 37 LYS HG2 1.0 1.8 3.0 495 360 A 37 LYS HG3 A 37 LYS HB2 1.0 1.8 3.0 496 360 A 37 LYS HB3 A 37 LYS HG3 1.0 1.8 3.0 497 361 A 37 LYS HB2 A 37 LYS HD2 1.0 1.8 3.0 498 361 A 37 LYS HB3 A 37 LYS HD2 1.0 1.8 3.0 499 361 A 37 LYS HD3 A 37 LYS HB2 1.0 1.8 3.0 500 361 A 37 LYS HD3 A 37 LYS HB3 1.0 1.8 3.0 501 362 A 37 LYS HD2 A 37 LYS HG2 1.0 1.8 3.0 502 362 A 37 LYS HD3 A 37 LYS HG2 1.0 1.8 3.0 503 362 A 37 LYS HG3 A 37 LYS HD2 1.0 1.8 3.0 504 362 A 37 LYS HD3 A 37 LYS HG3 1.0 1.8 3.0 505 363 A 37 LYS HA A 37 LYS HG2 1.0 1.8 4.0 506 363 A 37 LYS HA A 37 LYS HG3 1.0 1.8 4.0 507 364 A 37 LYS HB3 A 37 LYS HG2 1.0 1.8 3.0 508 364 A 37 LYS HB2 A 37 LYS HG2 1.0 1.8 3.0 509 364 A 37 LYS HG3 A 37 LYS HB2 1.0 1.8 3.0 510 364 A 37 LYS HB3 A 37 LYS HG3 1.0 1.8 3.0 511 365 A 37 LYS HD2 A 37 LYS HG2 1.0 1.8 3.0 512 365 A 37 LYS HD3 A 37 LYS HG2 1.0 1.8 3.0 513 365 A 37 LYS HG3 A 37 LYS HD2 1.0 1.8 3.0 514 365 A 37 LYS HD3 A 37 LYS HG3 1.0 1.8 3.0 515 366 A 37 LYS H A 37 LYS HG2 1.0 1.8 5.5 516 366 A 37 LYS HG3 A 37 LYS H 1.0 1.8 5.5 517 367 A 9 LEU HDx% A 38 THR HA 1.0 1.8 3.0 518 368 A 38 THR HA A 38 THR HB 1.0 1.8 5.5 519 369 A 38 THR HA A 38 THR HG2% 1.0 1.8 4.0 520 370 A 38 THR HA A 38 THR H 1.0 1.8 4.0 521 371 A 38 THR HA A 38 THR HG2% 1.0 1.8 4.0 522 372 A 39 VAL HA A 39 VAL HB 1.0 1.8 4.0 523 373 A 39 VAL HA A 39 VAL HGx% 1.0 1.8 4.0 524 374 A 39 VAL HA A 39 VAL H 1.0 1.8 4.0 525 375 A 39 VAL HA A 39 VAL HB 1.0 1.8 4.0 526 376 A 39 VAL HB A 39 VAL HGx% 1.0 1.8 3.0 527 377 A 39 VAL HB A 39 VAL H 1.0 1.8 4.0 528 378 A 40 GLU HA A 40 GLU HG2 1.0 1.8 5.5 529 378 A 40 GLU HA A 40 GLU HG3 1.0 1.8 5.5 530 379 A 40 GLU HA A 41 GLY H 1.0 1.8 4.0 531 380 A 40 GLU HA A 40 GLU HB2 1.0 1.8 4.0 532 380 A 40 GLU HA A 40 GLU HB3 1.0 1.8 4.0 533 381 A 40 GLU HB2 A 40 GLU HG2 1.0 1.8 3.0 534 381 A 40 GLU HB3 A 40 GLU HG2 1.0 1.8 3.0 535 381 A 40 GLU HG3 A 40 GLU HB2 1.0 1.8 3.0 536 381 A 40 GLU HG3 A 40 GLU HB3 1.0 1.8 3.0 537 382 A 40 GLU HA A 40 GLU HG2 1.0 1.8 4.0 538 382 A 40 GLU HA A 40 GLU HG3 1.0 1.8 4.0 539 383 A 40 GLU HB2 A 40 GLU HG2 1.0 1.8 3.0 540 383 A 40 GLU HB3 A 40 GLU HG2 1.0 1.8 3.0 541 383 A 40 GLU HG3 A 40 GLU HB2 1.0 1.8 3.0 542 383 A 40 GLU HG3 A 40 GLU HB3 1.0 1.8 3.0 543 384 A 41 GLY HAy A 41 GLY HAx 1.0 1.8 3.0 544 385 A 41 GLY HAy A 41 GLY HAx 1.0 1.8 3.0 545 386 A 41 GLY H A 41 GLY HAx 1.0 1.8 3.0 546 387 A 41 GLY H A 41 GLY HAy 1.0 1.8 3.0 547 388 A 41 GLY HAx A 54 VAL HGy% 1.0 1.8 5.5 548 389 A 41 GLY HAy A 54 VAL HGy% 1.0 1.8 4.0 549 390 A 42 VAL HA A 42 VAL HB 1.0 1.8 4.0 550 391 A 42 VAL HA A 42 VAL HGx% 1.0 1.8 4.0 551 392 A 42 VAL HA A 42 VAL H 1.0 1.8 4.0 552 393 A 42 VAL HA A 43 TRP HBy 1.0 1.8 4.0 553 394 A 42 VAL HA A 43 TRP HD1 1.0 1.8 4.0 554 395 A 42 VAL HA A 43 TRP H 1.0 1.8 3.0 555 396 A 42 VAL HA A 42 VAL HB 1.0 1.8 5.5 556 397 A 42 VAL HB A 42 VAL HGx% 1.0 1.8 4.0 557 398 A 42 VAL HA A 42 VAL HGx% 1.0 1.8 3.0 558 399 A 42 VAL HB A 42 VAL HGx% 1.0 1.8 4.0 559 400 A 43 TRP HA A 43 TRP HBx 1.0 1.8 5.5 560 401 A 43 TRP HA A 43 TRP HBx 1.0 1.8 4.0 561 402 A 43 TRP HBy A 43 TRP HA 1.0 1.8 4.0 562 403 A 43 TRP HD1 A 43 TRP HBx 1.0 1.8 4.0 563 404 A 43 TRP HBy A 43 TRP HD1 1.0 1.8 4.0 564 405 A 43 TRP HBx A 43 TRP HE3 1.0 1.8 4.0 565 406 A 43 TRP HBy A 43 TRP HE3 1.0 1.8 4.0 566 407 A 43 TRP H A 43 TRP HBx 1.0 1.8 4.0 567 408 A 43 TRP HBy A 43 TRP H 1.0 1.8 3.0 568 409 A 43 TRP HBy A 43 TRP H 1.0 1.8 3.0 569 410 A 44 THR HA A 44 THR HB 1.0 1.8 3.0 570 411 A 44 THR HA A 44 THR H 1.0 1.8 4.0 571 412 A 44 THR HA A 45 TYR H 1.0 1.8 5.5 572 413 A 44 THR HA A 44 THR HB 1.0 1.8 3.0 573 414 A 44 THR HB A 44 THR HG2% 1.0 1.8 3.0 574 415 A 44 THR HB A 44 THR H 1.0 1.8 5.5 575 416 A 44 THR HB A 45 TYR H 1.0 1.8 4.0 576 417 A 44 THR HA A 44 THR HG2% 1.0 1.8 3.0 577 418 A 44 THR HB A 44 THR HG2% 1.0 1.8 3.0 578 419 A 45 TYR HBy A 45 TYR HA 1.0 1.8 5.5 579 420 A 45 TYR HBy A 45 TYR HE% 1.0 1.8 5.5 580 421 A 45 TYR H A 45 TYR HBy 1.0 1.8 4.0 581 422 A 45 TYR HBy A 52 PHE HA 1.0 1.8 4.0 582 423 A 52 PHE HD% A 45 TYR HBy 1.0 3.8 7.5 583 424 A 52 PHE HE% A 45 TYR HBy 1.0 3.8 7.5 584 425 A 46 LYS HA A 46 LYS HD2 1.0 1.8 3.0 585 425 A 46 LYS HA A 46 LYS HD3 1.0 1.8 3.0 586 426 A 46 LYS HA A 46 LYS H 1.0 1.8 4.0 587 427 A 46 LYS HA A 47 ASP H 1.0 1.8 3.0 588 428 A 46 LYS HA A 46 LYS HB2 1.0 1.8 4.0 589 428 A 46 LYS HA A 46 LYS HB3 1.0 1.8 4.0 590 429 A 46 LYS HB2 A 46 LYS HD2 1.0 1.8 3.0 591 429 A 46 LYS HB3 A 46 LYS HD2 1.0 1.8 3.0 592 429 A 46 LYS HD3 A 46 LYS HB2 1.0 1.8 3.0 593 429 A 46 LYS HD3 A 46 LYS HB3 1.0 1.8 3.0 594 430 A 46 LYS HB2 A 46 LYS HG2 1.0 1.8 3.0 595 430 A 46 LYS HB3 A 46 LYS HG2 1.0 1.8 3.0 596 430 A 46 LYS HG3 A 46 LYS HB2 1.0 1.8 3.0 597 430 A 46 LYS HB3 A 46 LYS HG3 1.0 1.8 3.0 598 431 A 51 THR HB A 46 LYS HB2 1.0 1.8 3.0 599 431 A 46 LYS HB3 A 51 THR HB 1.0 1.8 3.0 600 432 A 46 LYS HD2 A 46 LYS HG2 1.0 1.8 3.0 601 432 A 46 LYS HD3 A 46 LYS HG2 1.0 1.8 3.0 602 432 A 46 LYS HG3 A 46 LYS HD2 1.0 1.8 3.0 603 432 A 46 LYS HD3 A 46 LYS HG3 1.0 1.8 3.0 604 433 A 46 LYS HA A 46 LYS HG2 1.0 1.8 4.0 605 433 A 46 LYS HA A 46 LYS HG3 1.0 1.8 4.0 606 434 A 46 LYS HB2 A 46 LYS HG2 1.0 1.8 4.0 607 434 A 46 LYS HB3 A 46 LYS HG2 1.0 1.8 4.0 608 434 A 46 LYS HG3 A 46 LYS HB2 1.0 1.8 4.0 609 434 A 46 LYS HB3 A 46 LYS HG3 1.0 1.8 4.0 610 435 A 47 ASP HA A 47 ASP HBx 1.0 1.8 4.0 611 436 A 47 ASP HA A 47 ASP HBy 1.0 1.3 4.5 612 437 A 47 ASP HA A 47 ASP HBy 1.0 1.8 4.0 613 438 A 47 ASP HBx A 47 ASP HBy 1.0 1.8 3.0 614 439 A 47 ASP HBx A 47 ASP HBy 1.0 1.8 3.0 615 440 A 47 ASP H A 47 ASP HBy 1.0 1.8 4.0 616 441 A 48 GLU HA A 48 GLU HB2 1.0 1.8 3.0 617 441 A 48 GLU HA A 48 GLU HB3 1.0 1.8 3.0 618 442 A 48 GLU HA A 48 GLU HG2 1.0 1.8 3.0 619 442 A 48 GLU HA A 48 GLU HG3 1.0 1.8 3.0 620 443 A 48 GLU HA A 48 GLU H 1.0 1.8 4.0 621 444 A 48 GLU HA A 49 THR H 1.0 1.8 5.5 622 445 A 48 GLU HA A 48 GLU HB2 1.0 1.8 3.0 623 445 A 48 GLU HA A 48 GLU HB3 1.0 1.8 3.0 624 446 A 48 GLU HB2 A 48 GLU HG2 1.0 1.8 3.0 625 446 A 48 GLU HB3 A 48 GLU HG2 1.0 1.8 3.0 626 446 A 48 GLU HG3 A 48 GLU HB2 1.0 1.8 3.0 627 446 A 48 GLU HB3 A 48 GLU HG3 1.0 1.8 3.0 628 447 A 48 GLU HA A 48 GLU HG2 1.0 1.8 4.0 629 447 A 48 GLU HA A 48 GLU HG3 1.0 1.8 4.0 630 448 A 48 GLU HB2 A 48 GLU HG2 1.0 1.8 3.0 631 448 A 48 GLU HB3 A 48 GLU HG2 1.0 1.8 3.0 632 448 A 48 GLU HG3 A 48 GLU HB2 1.0 1.8 3.0 633 448 A 48 GLU HB3 A 48 GLU HG3 1.0 1.8 3.0 634 449 A 49 THR HA A 49 THR HB 1.0 1.8 3.0 635 450 A 49 THR HA A 49 THR HB 1.0 1.8 5.5 636 451 A 49 THR HB A 49 THR HG2% 1.0 1.8 3.0 637 452 A 49 THR HA A 49 THR HG2% 1.0 1.8 4.0 638 453 A 49 THR HB A 49 THR HG2% 1.0 1.8 5.5 639 454 A 50 LYS HA A 50 LYS HB2 1.0 1.8 3.0 640 454 A 50 LYS HA A 50 LYS HB3 1.0 1.8 3.0 641 455 A 50 LYS HA A 50 LYS HG2 1.0 1.8 3.0 642 455 A 50 LYS HA A 50 LYS HG3 1.0 1.8 3.0 643 456 A 50 LYS HA A 50 LYS H 1.0 1.8 3.0 644 457 A 50 LYS HA A 51 THR H 1.0 1.8 4.0 645 458 A 50 LYS HA A 50 LYS HB2 1.0 1.8 3.0 646 458 A 50 LYS HA A 50 LYS HB3 1.0 1.8 3.0 647 459 A 50 LYS HB2 A 50 LYS HG2 1.0 1.8 3.0 648 459 A 50 LYS HB3 A 50 LYS HG2 1.0 1.8 3.0 649 459 A 50 LYS HG3 A 50 LYS HB2 1.0 1.8 3.0 650 459 A 50 LYS HB3 A 50 LYS HG3 1.0 1.8 3.0 651 460 A 4 LYS HBy A 51 THR HA 1.0 1.8 4.0 652 461 A 4 LYS H A 51 THR HA 1.0 1.8 4.0 653 462 A 51 THR H A 51 THR HA 1.0 1.8 4.0 654 463 A 51 THR HB A 46 LYS HD2 1.0 1.8 4.0 655 463 A 46 LYS HD3 A 51 THR HB 1.0 1.8 4.0 656 464 A 51 THR HB A 51 THR HA 1.0 1.8 5.5 657 465 A 51 THR HB A 51 THR HG2% 1.0 1.8 3.0 658 466 A 51 THR HB A 51 THR H 1.0 1.8 4.0 659 467 A 51 THR HB A 51 THR HG2% 1.0 1.8 4.0 660 468 A 45 TYR HA A 52 PHE HA 1.0 2.3 3.5 661 469 A 45 TYR HE% A 52 PHE HA 1.0 1.8 5.5 662 470 A 52 PHE HA A 46 LYS H 1.0 1.8 5.5 663 471 A 52 PHE HA A 52 PHE HBx 1.0 1.8 5.5 664 472 A 52 PHE HBy A 52 PHE HA 1.0 1.8 3.0 665 473 A 52 PHE HA A 53 THR H 1.0 1.8 3.0 666 474 A 30 PHE HD% A 52 PHE HBx 1.0 2.8 6.0 667 475 A 52 PHE HBy A 30 PHE HD% 1.0 2.8 6.0 668 476 A 45 TYR HA A 52 PHE HBx 1.0 1.8 5.5 669 477 A 52 PHE HA A 52 PHE HBx 1.0 1.8 4.0 670 478 A 52 PHE HBy A 52 PHE HA 1.0 1.8 5.5 671 479 A 52 PHE HBy A 52 PHE HBx 1.0 1.8 4.0 672 480 A 52 PHE HBy A 52 PHE HBx 1.0 1.8 3.0 673 481 A 52 PHE HD% A 52 PHE HBx 1.0 1.8 4.0 674 482 A 52 PHE HBy A 52 PHE HD% 1.0 1.8 4.0 675 483 A 52 PHE HBx A 53 THR H 1.0 1.8 5.5 676 484 A 52 PHE HBy A 53 THR H 1.0 1.8 5.5 677 485 A 53 THR HA A 6 ILE H 1.0 1.8 3.0 678 486 A 53 THR HA A 53 THR HB 1.0 1.8 3.0 679 487 A 53 THR HA A 53 THR HG2% 1.0 1.8 5.5 680 488 A 53 THR H A 53 THR HA 1.0 1.8 4.0 681 489 A 53 THR HA A 54 VAL H 1.0 1.8 3.0 682 490 A 53 THR HA A 53 THR HB 1.0 1.8 4.0 683 491 A 53 THR HB A 53 THR HG2% 1.0 1.8 3.0 684 492 A 53 THR H A 53 THR HB 1.0 1.8 4.0 685 493 A 53 THR H A 53 THR HB 1.0 1.8 4.0 686 494 A 53 THR HA A 53 THR HG2% 1.0 1.8 4.0 687 495 A 53 THR HB A 53 THR HG2% 1.0 1.8 3.0 688 496 A 43 TRP HA A 54 VAL HA 1.0 2.3 4.5 689 497 A 43 TRP HBy A 54 VAL HA 1.0 1.8 5.5 690 498 A 43 TRP H A 54 VAL HA 1.0 2.3 4.5 691 499 A 54 VAL HGx% A 54 VAL HA 1.0 1.8 4.0 692 500 A 54 VAL H A 54 VAL HA 1.0 1.8 3.0 693 501 A 54 VAL HA A 54 VAL HB 1.0 1.8 4.0 694 502 A 54 VAL HGx% A 54 VAL HA 1.0 1.8 4.0 695 503 A 7 LEU HBx A 55 THR HA 1.0 1.8 4.0 696 504 A 55 THR HA A 8 ASN H 1.0 1.8 5.5 697 505 A 55 THR HA A 55 THR HB 1.0 1.8 3.0 698 506 A 55 THR HA A 55 THR H 1.0 1.8 5.5 699 507 A 55 THR HA A 55 THR HB 1.0 1.8 4.0 700 508 A 55 THR HB A 55 THR HG2% 1.0 1.8 3.0 701 509 A 55 THR HB A 55 THR H 1.0 1.8 4.0 702 510 A 55 THR HB A 56 GLU H 1.0 1.8 4.0 703 511 A 55 THR HA A 55 THR HG2% 1.0 1.8 3.0 704 512 A 55 THR HB A 55 THR HG2% 1.0 1.8 3.0 705 513 A 3 TYR HA A 3 TYR HD% 1.0 1.8 5.5 706 514 A 3 TYR HBx A 3 TYR HD% 1.0 1.8 4.0 707 515 A 3 TYR HBy A 3 TYR HD% 1.0 1.8 4.0 708 516 A 3 TYR HD% A 3 TYR H 1.0 1.8 4.0 709 517 A 3 TYR HD% A 20 LEU HBx 1.0 1.8 4.0 710 518 A 3 TYR HD% A 26 ALA HB% 1.0 1.8 5.5 711 519 A 3 TYR HD% A 30 PHE HE% 1.0 1.8 4.0 712 520 A 3 TYR HD% A 50 LYS HB2 1.0 1.8 5.5 713 520 A 3 TYR HD% A 50 LYS HB3 1.0 1.8 5.5 714 521 A 3 TYR HD% A 52 PHE HD% 1.0 1.8 4.0 715 522 A 3 TYR HBx A 3 TYR HE% 1.0 1.8 5.5 716 523 A 3 TYR HBy A 3 TYR HE% 1.0 1.8 5.5 717 524 A 3 TYR HE% A 26 ALA HB% 1.0 1.8 5.5 718 525 A 3 TYR HE% A 50 LYS HG2 1.0 1.8 4.0 719 525 A 3 TYR HE% A 50 LYS HG3 1.0 1.8 4.0 720 526 A 3 TYR HE% A 51 THR HA 1.0 1.8 5.5 721 527 A 29 TYR HA A 29 TYR HD% 1.0 1.8 4.0 722 528 A 29 TYR HB3 A 29 TYR HD% 1.0 1.8 3.0 723 529 A 29 TYR HB2 A 29 TYR HD% 1.0 1.8 3.0 724 530 A 29 TYR H A 29 TYR HD% 1.0 1.8 5.5 725 531 A 29 TYR HD% A 30 PHE H 1.0 2.3 4.5 726 532 A 30 PHE H A 29 TYR HE% 1.0 1.8 5.5 727 533 A 33 TYR HBx A 29 TYR HE% 1.0 2.3 4.5 728 534 A 33 TYR HBy A 29 TYR HE% 1.0 1.8 5.5 729 535 A 3 TYR HD% A 30 PHE HD% 1.0 1.8 4.0 730 536 A 30 PHE HD% A 26 ALA HB% 1.0 1.8 4.0 731 537 A 30 PHE HD% A 30 PHE HA 1.0 1.8 4.0 732 538 A 30 PHE HD% A 30 PHE HBx 1.0 1.8 4.0 733 539 A 30 PHE HD% A 30 PHE HBy 1.0 1.8 4.0 734 540 A 30 PHE HD% A 30 PHE H 1.0 1.8 5.5 735 541 A 4 LYS HBy A 30 PHE HE% 1.0 1.8 5.5 736 542 A 5 LEU H A 30 PHE HE% 1.0 1.8 5.5 737 543 A 18 LYS HBy A 30 PHE HE% 1.0 1.8 4.0 738 544 A 30 PHE HE% A 18 LYS HD2 1.0 1.8 4.0 739 544 A 30 PHE HE% A 18 LYS HD3 1.0 1.8 4.0 740 545 A 30 PHE HE% A 30 PHE HBy 1.0 1.8 5.5 741 546 A 30 PHE HE% A 52 PHE HD% 1.0 1.8 5.5 742 547 A 7 LEU HDx% A 33 TYR HD% 1.0 1.8 3.0 743 548 A 33 TYR HD% A 33 TYR HA 1.0 1.8 4.0 744 549 A 33 TYR HBx A 33 TYR HD% 1.0 1.8 4.0 745 550 A 33 TYR HD% A 33 TYR HBy 1.0 1.8 4.0 746 551 A 33 TYR HD% A 33 TYR H 1.0 2.3 4.5 747 552 A 33 TYR HD% A 34 ALA H 1.0 1.8 5.5 748 553 A 7 LEU HDx% A 33 TYR HE% 1.0 1.8 4.0 749 554 A 33 TYR HBy A 33 TYR HE% 1.0 1.8 5.5 750 555 A 33 TYR HE% A 37 LYS HG2 1.0 1.8 4.0 751 555 A 33 TYR HE% A 37 LYS HG3 1.0 1.8 4.0 752 556 A 41 GLY H A 43 TRP HD1 1.0 1.8 5.5 753 557 A 42 VAL HA A 43 TRP HD1 1.0 1.8 4.0 754 558 A 43 TRP HBy A 43 TRP HD1 1.0 1.8 5.5 755 559 A 43 TRP HD1 A 43 TRP HE1 1.0 1.8 4.0 756 560 A 43 TRP HD1 A 43 TRP H 1.0 1.8 4.0 757 561 A 43 TRP HBx A 43 TRP HE3 1.0 1.8 4.0 758 562 A 31 LYS HA A 43 TRP HZ2 1.0 2.8 5.0 759 563 A 31 LYS HBx A 43 TRP HZ2 1.0 2.8 5.0 760 564 A 43 TRP HZ2 A 31 LYS HG2 1.0 1.8 5.5 761 564 A 31 LYS HG3 A 43 TRP HZ2 1.0 1.8 5.5 762 565 A 43 TRP HZ2 A 43 TRP HH2 1.0 1.8 4.0 763 566 A 5 LEU HDy% A 43 TRP HZ3 1.0 1.8 5.5 764 567 A 52 PHE HBx A 43 TRP HZ3 1.0 1.8 5.5 765 568 A 45 TYR HE% A 47 ASP HA 1.0 1.8 5.5 766 569 A 45 TYR HE% A 47 ASP HBx 1.0 1.8 5.5 767 570 A 45 TYR HE% A 52 PHE HA 1.0 2.8 5.0 768 571 A 52 PHE HE% A 45 TYR HE% 1.0 1.8 4.0 769 572 A 52 PHE HD% A 52 PHE HA 1.0 1.8 5.5 770 573 A 52 PHE HBy A 52 PHE HD% 1.0 1.8 3.0 771 574 A 52 PHE HD% A 52 PHE H 1.0 1.8 5.5 772 575 A 52 PHE HBy A 52 PHE HE% 1.0 1.8 5.5 773 576 A 2 THR HA A 3 TYR H 1.0 1.8 3.0 774 577 A 3 TYR HA A 3 TYR H 1.0 1.8 5.5 775 578 A 3 TYR HBy A 3 TYR H 1.0 1.8 5.5 776 579 A 3 TYR H A 3 TYR HE% 1.0 1.8 5.5 777 580 A 3 TYR H A 18 LYS H 1.0 2.8 6.0 778 581 A 19 GLU HA A 3 TYR H 1.0 1.8 5.5 779 582 A 3 TYR H A 19 GLU H 1.0 2.8 6.0 780 583 A 3 TYR HBx A 4 LYS H 1.0 1.8 5.5 781 584 A 3 TYR HBy A 4 LYS H 1.0 1.8 5.5 782 585 A 4 LYS HA A 4 LYS H 1.0 1.8 3.0 783 586 A 4 LYS HBy A 4 LYS H 1.0 1.8 4.0 784 587 A 4 LYS H A 30 PHE HE% 1.0 2.8 6.0 785 588 A 4 LYS HA A 5 LEU H 1.0 1.8 2.7 786 589 A 4 LYS HBy A 5 LEU H 1.0 1.8 5.5 787 590 A 5 LEU H A 4 LYS HG2 1.0 1.8 5.5 788 590 A 4 LYS HG3 A 5 LEU H 1.0 1.8 5.5 789 591 A 5 LEU HA A 5 LEU H 1.0 1.8 5.5 790 592 A 5 LEU H A 5 LEU HBx 1.0 1.8 4.0 791 593 A 5 LEU HBy A 5 LEU H 1.0 1.8 5.5 792 594 A 5 LEU HDy% A 6 ILE H 1.0 1.8 5.5 793 595 A 6 ILE H A 6 ILE HA 1.0 1.8 4.0 794 596 A 6 ILE H A 6 ILE HG12 1.0 1.8 4.0 795 596 A 6 ILE H A 6 ILE HG13 1.0 1.8 4.0 796 597 A 7 LEU H A 6 ILE HA 1.0 1.8 2.7 797 598 A 7 LEU HA A 7 LEU H 1.0 1.8 3.0 798 599 A 7 LEU H A 14 GLU H 1.0 1.8 5.5 799 600 A 7 LEU HA A 8 ASN H 1.0 1.8 2.7 800 601 A 7 LEU HG A 8 ASN H 1.0 1.8 5.5 801 602 A 8 ASN HA A 8 ASN H 1.0 1.8 4.0 802 603 A 8 ASN H A 8 ASN HBx 1.0 1.8 5.5 803 604 A 8 ASN H A 8 ASN HBy 1.0 1.8 4.0 804 605 A 54 VAL HGx% A 8 ASN H 1.0 2.8 6.0 805 606 A 8 ASN H A 55 THR H 1.0 1.8 5.5 806 607 A 8 ASN HD2y A 6 ILE HG12 1.0 1.8 5.5 807 607 A 6 ILE HG13 A 8 ASN HD2y 1.0 1.8 5.5 808 608 A 8 ASN HD2x A 6 ILE HG12 1.0 2.8 6.0 809 608 A 6 ILE HG13 A 8 ASN HD2x 1.0 2.8 6.0 810 609 A 8 ASN HBx A 8 ASN HD2y 1.0 1.8 5.5 811 610 A 8 ASN HBx A 8 ASN HD2x 1.0 2.8 6.0 812 611 A 8 ASN HBy A 8 ASN HD2y 1.0 1.8 5.5 813 612 A 8 ASN HBy A 8 ASN HD2x 1.0 2.8 6.0 814 613 A 8 ASN HD2y A 8 ASN HD2x 1.0 1.8 3.0 815 614 A 8 ASN HD2y A 8 ASN HD2x 1.0 1.8 3.0 816 615 A 9 LEU H A 8 ASN HA 1.0 1.8 3.0 817 616 A 9 LEU H A 8 ASN H 1.0 1.3 4.5 818 617 A 9 LEU HA A 9 LEU H 1.0 1.8 5.5 819 618 A 9 LEU HBy A 9 LEU H 1.0 1.8 4.0 820 619 A 9 LEU H A 9 LEU HG 1.0 1.8 4.0 821 620 A 9 LEU H A 12 ALA H 1.0 2.8 6.0 822 621 A 9 LEU HA A 10 LYS H 1.0 1.8 2.7 823 622 A 10 LYS H A 10 LYS HA 1.0 1.8 5.5 824 623 A 10 LYS H A 10 LYS HB2 1.0 1.8 3.0 825 623 A 10 LYS H A 10 LYS HB3 1.0 1.8 3.0 826 624 A 10 LYS H A 10 LYS HG2 1.0 1.8 4.0 827 624 A 10 LYS H A 10 LYS HG3 1.0 1.8 4.0 828 625 A 10 LYS H A 11 GLN H 1.0 1.8 5.5 829 626 A 10 LYS H A 11 GLN H 1.0 1.8 3.5 830 627 A 11 GLN H A 11 GLN HA 1.0 1.8 5.5 831 628 A 11 GLN H A 11 GLN HG2 1.0 1.8 4.0 832 628 A 11 GLN H A 11 GLN HG3 1.0 1.8 4.0 833 629 A 11 GLN H A 12 ALA H 1.0 1.8 4.0 834 630 A 12 ALA H A 11 GLN HG2 1.0 1.8 4.0 835 630 A 11 GLN HG3 A 12 ALA H 1.0 1.8 4.0 836 631 A 11 GLN H A 12 ALA H 1.0 1.8 2.7 837 632 A 12 ALA HA A 12 ALA H 1.0 1.8 4.0 838 633 A 12 ALA HB% A 12 ALA H 1.0 1.8 5.5 839 634 A 12 ALA H A 13 LYS H 1.0 1.8 5.5 840 635 A 12 ALA HA A 13 LYS H 1.0 1.8 2.7 841 636 A 12 ALA H A 13 LYS H 1.0 1.3 4.5 842 637 A 13 LYS H A 13 LYS HA 1.0 1.8 4.0 843 638 A 13 LYS H A 13 LYS HB2 1.0 1.8 4.0 844 638 A 13 LYS H A 13 LYS HB3 1.0 1.8 4.0 845 639 A 13 LYS H A 13 LYS HG2 1.0 1.8 4.0 846 639 A 13 LYS H A 13 LYS HG3 1.0 1.8 4.0 847 640 A 7 LEU HDx% A 14 GLU H 1.0 2.8 6.0 848 641 A 7 LEU H A 14 GLU H 1.0 1.8 5.5 849 642 A 12 ALA HA A 14 GLU H 1.0 2.8 6.0 850 643 A 13 LYS HA A 14 GLU H 1.0 1.8 2.7 851 644 A 14 GLU H A 13 LYS HB2 1.0 1.8 4.0 852 644 A 13 LYS HB3 A 14 GLU H 1.0 1.8 4.0 853 645 A 13 LYS H A 14 GLU H 1.0 1.8 5.5 854 646 A 14 GLU HA A 14 GLU H 1.0 1.8 5.5 855 647 A 14 GLU H A 14 GLU HB2 1.0 1.8 5.5 856 647 A 14 GLU HB3 A 14 GLU H 1.0 1.8 5.5 857 648 A 14 GLU HA A 15 GLU H 1.0 1.8 2.7 858 649 A 15 GLU HA A 15 GLU H 1.0 1.8 4.0 859 650 A 15 GLU H A 15 GLU HB2 1.0 1.8 4.0 860 650 A 15 GLU HB3 A 15 GLU H 1.0 1.8 4.0 861 651 A 15 GLU H A 15 GLU HG2 1.0 1.8 4.0 862 651 A 15 GLU HG3 A 15 GLU H 1.0 1.8 4.0 863 652 A 16 ALA H A 6 ILE HG12 1.0 1.8 5.5 864 652 A 6 ILE HG13 A 16 ALA H 1.0 1.8 5.5 865 653 A 15 GLU HA A 16 ALA H 1.0 1.8 2.7 866 654 A 16 ALA HA A 16 ALA H 1.0 1.3 4.5 867 655 A 16 ALA HB% A 16 ALA H 1.0 1.8 4.0 868 656 A 17 ILE H A 16 ALA H 1.0 1.8 5.5 869 657 A 16 ALA HA A 17 ILE H 1.0 1.8 2.7 870 658 A 16 ALA HB% A 17 ILE H 1.0 1.8 4.0 871 659 A 17 ILE HA A 17 ILE H 1.0 1.8 5.5 872 660 A 17 ILE HD1% A 17 ILE H 1.0 1.8 5.5 873 661 A 17 ILE H A 17 ILE HG12 1.0 1.8 5.5 874 661 A 17 ILE HG13 A 17 ILE H 1.0 1.8 5.5 875 662 A 3 TYR H A 18 LYS H 1.0 2.8 6.0 876 663 A 18 LYS H A 17 ILE HA 1.0 1.8 2.7 877 664 A 18 LYS H A 17 ILE HG12 1.0 1.8 5.5 878 664 A 18 LYS H A 17 ILE HG13 1.0 1.8 5.5 879 665 A 18 LYS H A 18 LYS HA 1.0 1.8 5.5 880 666 A 18 LYS HBy A 18 LYS H 1.0 1.8 5.5 881 667 A 18 LYS H A 18 LYS HD2 1.0 1.8 5.5 882 667 A 18 LYS H A 18 LYS HD3 1.0 1.8 5.5 883 668 A 18 LYS H A 19 GLU H 1.0 1.3 4.5 884 669 A 18 LYS H A 30 PHE HE% 1.0 2.8 6.0 885 670 A 18 LYS HA A 19 GLU H 1.0 1.8 3.0 886 671 A 18 LYS HBy A 19 GLU H 1.0 1.8 5.5 887 672 A 19 GLU HA A 19 GLU H 1.0 1.8 5.5 888 673 A 19 GLU H A 19 GLU HB2 1.0 1.8 4.0 889 673 A 19 GLU H A 19 GLU HB3 1.0 1.8 4.0 890 674 A 2 THR HA A 20 LEU H 1.0 1.8 4.0 891 675 A 20 LEU H A 3 TYR HE% 1.0 1.8 5.5 892 676 A 20 LEU H A 19 GLU HB2 1.0 1.8 5.5 893 676 A 19 GLU HB3 A 20 LEU H 1.0 1.8 5.5 894 677 A 19 GLU H A 20 LEU H 1.0 1.8 5.5 895 678 A 20 LEU HA A 20 LEU H 1.0 1.8 3.0 896 679 A 20 LEU HBy A 20 LEU H 1.0 1.8 5.5 897 680 A 20 LEU HA A 21 VAL H 1.0 1.8 3.5 898 681 A 20 LEU HBy A 21 VAL H 1.0 1.8 4.0 899 682 A 21 VAL H A 21 VAL HB 1.0 1.8 4.0 900 683 A 21 VAL H A 21 VAL HGx% 1.0 1.8 4.0 901 684 A 21 VAL H A 22 ASP H 1.0 1.8 3.5 902 685 A 21 VAL H A 25 THR HB 1.0 1.8 4.0 903 686 A 20 LEU HA A 22 ASP H 1.0 1.8 5.5 904 687 A 22 ASP H A 21 VAL HB 1.0 2.8 6.0 905 688 A 22 ASP H A 21 VAL HGx% 1.0 1.8 5.5 906 689 A 21 VAL H A 22 ASP H 1.0 1.8 4.0 907 690 A 22 ASP H A 22 ASP HA 1.0 1.8 4.0 908 691 A 22 ASP H A 22 ASP HBy 1.0 1.8 5.5 909 692 A 22 ASP HBx A 23 ALA H 1.0 1.8 4.0 910 693 A 23 ALA HA A 23 ALA H 1.0 1.8 4.0 911 694 A 24 ALA HA A 24 ALA H 1.0 1.8 4.0 912 695 A 24 ALA HB% A 24 ALA H 1.0 1.8 3.0 913 696 A 25 THR HA A 25 THR H 1.0 1.8 4.0 914 697 A 25 THR HB A 25 THR H 1.0 1.8 5.5 915 698 A 25 THR HG2% A 25 THR H 1.0 1.8 4.0 916 699 A 26 ALA H A 25 THR H 1.0 1.8 4.0 917 700 A 26 ALA H A 24 ALA H 1.0 1.8 4.0 918 701 A 26 ALA H A 25 THR HA 1.0 1.8 4.0 919 702 A 26 ALA H A 25 THR HG2% 1.0 1.8 5.5 920 703 A 26 ALA H A 26 ALA HA 1.0 1.8 4.0 921 704 A 26 ALA H A 26 ALA HB% 1.0 1.8 4.0 922 705 A 26 ALA H A 27 GLU H 1.0 1.8 4.0 923 706 A 26 ALA H A 28 LYS H 1.0 1.8 5.5 924 707 A 27 GLU H A 25 THR HA 1.0 1.8 5.5 925 708 A 27 GLU H A 26 ALA HA 1.0 1.3 4.5 926 709 A 27 GLU H A 26 ALA HB% 1.0 1.8 4.0 927 710 A 26 ALA H A 27 GLU H 1.0 1.8 4.0 928 711 A 27 GLU H A 27 GLU HA 1.0 1.8 4.0 929 712 A 27 GLU H A 27 GLU HB2 1.0 1.8 4.0 930 712 A 27 GLU H A 27 GLU HB3 1.0 1.8 4.0 931 713 A 27 GLU H A 27 GLU HG2 1.0 1.8 4.0 932 713 A 27 GLU H A 27 GLU HG3 1.0 1.8 4.0 933 714 A 27 GLU H A 28 LYS H 1.0 1.8 4.0 934 715 A 26 ALA H A 28 LYS H 1.0 1.8 4.0 935 716 A 27 GLU H A 28 LYS H 1.0 1.8 5.5 936 717 A 28 LYS H A 28 LYS HA 1.0 1.8 4.0 937 718 A 28 LYS H A 28 LYS HB2 1.0 1.8 3.0 938 718 A 28 LYS H A 28 LYS HB3 1.0 1.8 3.0 939 719 A 29 TYR H A 28 LYS HB2 1.0 1.8 4.0 940 719 A 29 TYR H A 28 LYS HB3 1.0 1.8 4.0 941 720 A 28 LYS H A 29 TYR H 1.0 1.8 4.0 942 721 A 29 TYR H A 29 TYR HA 1.0 1.8 5.5 943 722 A 29 TYR HB3 A 29 TYR H 1.0 1.8 4.0 944 723 A 29 TYR HB2 A 29 TYR H 1.0 1.8 4.0 945 724 A 29 TYR H A 30 PHE H 1.0 1.8 4.0 946 725 A 29 TYR HB2 A 30 PHE H 1.0 1.8 4.0 947 726 A 29 TYR H A 30 PHE H 1.0 1.8 4.0 948 727 A 30 PHE H A 30 PHE HA 1.0 1.8 5.5 949 728 A 30 PHE H A 30 PHE HBx 1.0 1.8 5.5 950 729 A 30 PHE H A 30 PHE HBy 1.0 1.8 4.0 951 730 A 30 PHE HD% A 30 PHE H 1.0 2.8 6.0 952 731 A 31 LYS H A 30 PHE H 1.0 1.8 4.0 953 732 A 29 TYR H A 31 LYS H 1.0 1.8 5.5 954 733 A 31 LYS H A 30 PHE HBy 1.0 1.8 5.5 955 734 A 31 LYS H A 30 PHE H 1.0 1.8 5.5 956 735 A 31 LYS H A 31 LYS HA 1.0 1.8 4.0 957 736 A 31 LYS H A 31 LYS HBx 1.0 1.8 4.0 958 737 A 31 LYS H A 31 LYS HBy 1.0 1.8 4.0 959 738 A 31 LYS H A 31 LYS HG2 1.0 1.8 5.5 960 738 A 31 LYS HG3 A 31 LYS H 1.0 1.8 5.5 961 739 A 31 LYS H A 32 LEU H 1.0 1.8 4.0 962 740 A 32 LEU H A 31 LYS HG2 1.0 2.8 6.0 963 740 A 31 LYS HG3 A 32 LEU H 1.0 2.8 6.0 964 741 A 31 LYS H A 32 LEU H 1.0 1.8 5.5 965 742 A 32 LEU H A 32 LEU HA 1.0 1.8 4.0 966 743 A 32 LEU H A 32 LEU HBx 1.0 1.8 4.0 967 744 A 32 LEU H A 32 LEU HG 1.0 1.8 4.0 968 745 A 32 LEU H A 33 TYR H 1.0 1.8 5.5 969 746 A 30 PHE HA A 33 TYR H 1.0 1.8 5.5 970 747 A 32 LEU HG A 33 TYR H 1.0 1.8 5.5 971 748 A 32 LEU H A 33 TYR H 1.0 1.8 4.0 972 749 A 33 TYR H A 33 TYR HA 1.0 1.8 4.0 973 750 A 33 TYR HBx A 33 TYR H 1.0 1.8 4.0 974 751 A 33 TYR H A 33 TYR HBy 1.0 1.8 4.0 975 752 A 33 TYR H A 34 ALA H 1.0 1.8 4.0 976 753 A 33 TYR HBx A 34 ALA H 1.0 1.8 5.5 977 754 A 33 TYR HBy A 34 ALA H 1.0 1.8 5.5 978 755 A 33 TYR H A 34 ALA H 1.0 1.8 4.0 979 756 A 34 ALA H A 34 ALA HA 1.0 1.8 4.0 980 757 A 34 ALA H A 34 ALA HB% 1.0 1.8 4.0 981 758 A 34 ALA H A 43 TRP HH2 1.0 2.3 6.0 982 759 A 34 ALA HA A 35 ASN H 1.0 1.8 5.5 983 760 A 34 ALA HB% A 35 ASN H 1.0 1.8 5.5 984 761 A 34 ALA H A 35 ASN H 1.0 1.8 5.5 985 762 A 35 ASN H A 35 ASN HA 1.0 1.8 5.5 986 763 A 35 ASN H A 35 ASN HB2 1.0 1.8 5.5 987 763 A 35 ASN HB3 A 35 ASN H 1.0 1.8 5.5 988 764 A 35 ASN H A 36 ALA H 1.0 1.8 5.5 989 765 A 36 ALA H A 35 ASN HA 1.0 1.3 4.5 990 766 A 35 ASN H A 36 ALA H 1.0 1.8 5.5 991 767 A 36 ALA HA A 36 ALA H 1.0 1.8 4.0 992 768 A 36 ALA HB% A 36 ALA H 1.0 1.8 4.0 993 769 A 36 ALA H A 37 LYS H 1.0 1.8 4.0 994 770 A 35 ASN H A 37 LYS H 1.0 2.8 6.0 995 771 A 36 ALA H A 37 LYS H 1.0 1.8 4.0 996 772 A 37 LYS HA A 37 LYS H 1.0 1.8 4.0 997 773 A 37 LYS H A 37 LYS HD2 1.0 1.8 5.5 998 773 A 37 LYS HD3 A 37 LYS H 1.0 1.8 5.5 999 774 A 37 LYS H A 37 LYS HG2 1.0 1.8 5.5 1000 774 A 37 LYS HG3 A 37 LYS H 1.0 1.8 5.5 1001 775 A 37 LYS H A 38 THR H 1.0 1.8 4.0 1002 776 A 38 THR HA A 38 THR H 1.0 1.8 3.0 1003 777 A 38 THR HG2% A 38 THR H 1.0 1.8 4.0 1004 778 A 39 VAL HA A 39 VAL H 1.0 1.8 4.0 1005 779 A 39 VAL HB A 39 VAL H 1.0 1.8 5.5 1006 780 A 39 VAL H A 40 GLU H 1.0 1.8 5.5 1007 781 A 40 GLU HA A 40 GLU H 1.0 1.8 5.5 1008 782 A 40 GLU H A 40 GLU HB2 1.0 1.8 5.5 1009 782 A 40 GLU HB3 A 40 GLU H 1.0 1.8 5.5 1010 783 A 40 GLU H A 40 GLU HG2 1.0 1.8 5.5 1011 783 A 40 GLU HG3 A 40 GLU H 1.0 1.8 5.5 1012 784 A 40 GLU HA A 41 GLY H 1.0 1.8 4.0 1013 785 A 41 GLY H A 40 GLU HB2 1.0 1.8 5.5 1014 785 A 41 GLY H A 40 GLU HB3 1.0 1.8 5.5 1015 786 A 41 GLY H A 40 GLU H 1.0 1.8 5.5 1016 787 A 41 GLY H A 41 GLY HAx 1.0 1.8 4.0 1017 788 A 41 GLY H A 41 GLY HAy 1.0 1.8 4.0 1018 789 A 41 GLY HAy A 42 VAL H 1.0 1.8 5.5 1019 790 A 42 VAL H A 55 THR HG2% 1.0 1.8 4.0 1020 791 A 42 VAL H A 56 GLU HA 1.0 1.8 4.0 1021 792 A 42 VAL HA A 43 TRP H 1.0 1.8 2.7 1022 793 A 42 VAL HGx% A 43 TRP H 1.0 1.8 4.0 1023 794 A 43 TRP H A 43 TRP HA 1.0 1.8 5.5 1024 795 A 43 TRP HBy A 43 TRP H 1.0 1.8 4.0 1025 796 A 43 TRP HD1 A 43 TRP H 1.0 1.8 5.5 1026 797 A 43 TRP HD1 A 43 TRP HE1 1.0 1.8 4.0 1027 798 A 54 VAL HGy% A 43 TRP HE1 1.0 2.8 6.0 1028 799 A 43 TRP HA A 44 THR H 1.0 1.8 2.7 1029 800 A 43 TRP HBy A 44 THR H 1.0 1.8 5.5 1030 801 A 44 THR HA A 44 THR H 1.0 1.8 5.5 1031 802 A 44 THR H A 44 THR HG2% 1.0 1.8 5.5 1032 803 A 44 THR H A 54 VAL HA 1.0 2.8 6.0 1033 804 A 44 THR HA A 45 TYR H 1.0 1.8 2.7 1034 805 A 44 THR HB A 45 TYR H 1.0 1.8 4.0 1035 806 A 45 TYR H A 45 TYR HBx 1.0 1.8 5.5 1036 807 A 45 TYR H A 45 TYR HBy 1.0 1.8 4.0 1037 808 A 45 TYR HA A 46 LYS H 1.0 1.8 2.7 1038 809 A 46 LYS HA A 46 LYS H 1.0 1.8 5.5 1039 810 A 46 LYS H A 46 LYS HB2 1.0 1.8 5.5 1040 810 A 46 LYS H A 46 LYS HB3 1.0 1.8 5.5 1041 811 A 46 LYS H A 46 LYS HD2 1.0 1.8 5.5 1042 811 A 46 LYS HD3 A 46 LYS H 1.0 1.8 5.5 1043 812 A 52 PHE HA A 46 LYS H 1.0 2.8 6.0 1044 813 A 46 LYS HA A 47 ASP H 1.0 1.8 3.0 1045 814 A 47 ASP H A 46 LYS HB2 1.0 1.8 4.0 1046 814 A 47 ASP H A 46 LYS HB3 1.0 1.8 4.0 1047 815 A 47 ASP H A 46 LYS HG2 1.0 1.8 5.5 1048 815 A 47 ASP H A 46 LYS HG3 1.0 1.8 5.5 1049 816 A 47 ASP H A 47 ASP HBx 1.0 2.8 6.0 1050 817 A 45 TYR HE% A 48 GLU H 1.0 1.8 5.5 1051 818 A 47 ASP H A 48 GLU H 1.0 1.8 3.5 1052 819 A 48 GLU HA A 48 GLU H 1.0 1.8 4.0 1053 820 A 48 GLU H A 48 GLU HB2 1.0 1.8 4.0 1054 820 A 48 GLU HB3 A 48 GLU H 1.0 1.8 4.0 1055 821 A 48 GLU H A 48 GLU HG2 1.0 1.8 5.5 1056 821 A 48 GLU HG3 A 48 GLU H 1.0 1.8 5.5 1057 822 A 49 THR H A 48 GLU HB2 1.0 1.8 5.5 1058 822 A 48 GLU HB3 A 49 THR H 1.0 1.8 5.5 1059 823 A 48 GLU H A 49 THR H 1.0 1.8 3.5 1060 824 A 49 THR H A 49 THR HB 1.0 1.8 4.0 1061 825 A 49 THR H A 49 THR HG2% 1.0 1.8 5.5 1062 826 A 49 THR H A 50 LYS H 1.0 1.8 2.7 1063 827 A 49 THR H A 51 THR H 1.0 2.8 6.0 1064 828 A 49 THR H A 50 LYS H 1.0 1.8 3.0 1065 829 A 50 LYS HA A 50 LYS H 1.0 1.8 3.0 1066 830 A 50 LYS H A 50 LYS HB2 1.0 1.8 4.0 1067 830 A 50 LYS HB3 A 50 LYS H 1.0 1.8 4.0 1068 831 A 50 LYS H A 50 LYS HG2 1.0 1.8 5.5 1069 831 A 50 LYS HG3 A 50 LYS H 1.0 1.8 5.5 1070 832 A 50 LYS H A 51 THR H 1.0 1.8 4.0 1071 833 A 50 LYS HA A 51 THR H 1.0 1.8 2.7 1072 834 A 50 LYS H A 51 THR H 1.0 1.8 4.0 1073 835 A 51 THR H A 51 THR HA 1.0 1.3 4.5 1074 836 A 51 THR HB A 51 THR H 1.0 1.8 4.0 1075 837 A 5 LEU HA A 52 PHE H 1.0 2.8 6.0 1076 838 A 5 LEU HBx A 52 PHE H 1.0 1.8 5.5 1077 839 A 52 PHE HA A 52 PHE H 1.0 1.8 3.0 1078 840 A 52 PHE HBx A 52 PHE H 1.0 1.8 5.0 1079 841 A 52 PHE HBy A 52 PHE H 1.0 1.8 4.0 1080 842 A 52 PHE HD% A 52 PHE H 1.0 1.8 5.5 1081 843 A 52 PHE HA A 53 THR H 1.0 1.8 2.7 1082 844 A 52 PHE HBy A 53 THR H 1.0 1.8 5.5 1083 845 A 53 THR H A 53 THR HA 1.0 1.8 5.5 1084 846 A 53 THR H A 53 THR HB 1.0 1.8 4.0 1085 847 A 53 THR H A 53 THR HG2% 1.0 1.8 5.5 1086 848 A 54 VAL H A 6 ILE HD11 1.0 1.8 5.5 1087 849 A 54 VAL H A 6 ILE HG12 1.0 1.8 4.0 1088 849 A 54 VAL H A 6 ILE HG13 1.0 1.8 4.0 1089 850 A 6 ILE H A 54 VAL H 1.0 1.8 5.5 1090 851 A 54 VAL H A 8 ASN H 1.0 2.8 6.0 1091 852 A 53 THR HA A 54 VAL H 1.0 1.8 2.7 1092 853 A 54 VAL H A 54 VAL HA 1.0 1.8 4.0 1093 854 A 54 VAL HGx% A 54 VAL H 1.0 1.8 4.0 1094 855 A 54 VAL H A 55 THR H 1.0 1.8 5.5 1095 856 A 53 THR HG2% A 55 THR H 1.0 1.8 5.5 1096 857 A 54 VAL HA A 55 THR H 1.0 1.8 3.0 1097 858 A 55 THR HA A 55 THR H 1.0 1.8 5.5 1098 859 A 55 THR HB A 55 THR H 1.0 1.8 5.5 1099 860 A 55 THR HB A 56 GLU H 1.0 1.8 5.5 1100 861 A 55 THR HG2% A 56 GLU H 1.0 1.8 5.5 1101 862 A 56 GLU H A 56 GLU HA 1.0 1.8 3.0 1102 863 A 38 THR HA A 39 VAL H 1.0 3.0 6.0 1103 864 A 39 VAL HA A 40 GLU H 1.0 1.8 2.5 1104 865 A 10 LYS HA A 11 GLN H 1.0 1.8 3.5 1105 866 A 20 LEU H A 21 VAL H 1.0 1.8 4.5 1106 867 A 21 VAL HB A 21 VAL HA 1.0 1.8 3.0 1107 868 A 21 VAL HA A 21 VAL HGx% 1.0 1.8 3.0 1108 869 A 22 ASP H A 21 VAL HA 1.0 1.8 4.0 1109 870 A 21 VAL H A 21 VAL HA 1.0 1.8 4.0 1110 871 A 20 LEU HA A 21 VAL HA 1.0 1.8 4.5 1111 872 A 48 GLU HA A 49 THR H 1.0 1.8 3.5 1112 873 A 49 THR HA A 50 LYS H 1.0 1.8 3.5 1113 874 A 26 ALA H A 24 ALA H 1.0 1.8 5.0 1114 875 A 33 TYR HA A 37 LYS H 1.0 1.8 4.0 1115 876 A 36 ALA HA A 37 LYS H 1.0 1.8 4.0 1116 877 A 34 ALA HA A 36 ALA H 1.0 1.8 5.0 1117 878 A 33 TYR HA A 36 ALA H 1.0 1.8 4.0 1118 879 A 32 LEU HA A 36 ALA H 1.0 1.8 5.0 1119 880 A 33 TYR HA A 35 ASN H 1.0 1.8 5.0 1120 881 A 32 LEU HA A 35 ASN H 1.0 1.8 4.0 1121 882 A 31 LYS HA A 35 ASN H 1.0 1.8 5.0 1122 883 A 33 TYR HA A 34 ALA H 1.0 1.8 4.0 1123 884 A 32 LEU HA A 34 ALA H 1.0 1.8 5.0 1124 885 A 31 LYS HA A 34 ALA H 1.0 1.8 4.0 1125 886 A 30 PHE HA A 34 ALA H 1.0 1.8 5.0 1126 887 A 32 LEU HA A 33 TYR H 1.0 1.8 4.0 1127 888 A 31 LYS HA A 33 TYR H 1.0 1.8 5.0 1128 889 A 29 TYR HA A 33 TYR H 1.0 1.8 5.0 1129 890 A 31 LYS HA A 32 LEU H 1.0 1.8 4.0 1130 891 A 30 PHE HA A 32 LEU H 1.0 1.8 5.0 1131 892 A 29 TYR HA A 32 LEU H 1.0 1.8 4.0 1132 893 A 23 ALA H A 25 THR H 1.0 1.8 5.0 1133 894 A 31 LYS H A 30 PHE HA 1.0 1.8 4.0 1134 895 A 31 LYS H A 29 TYR HA 1.0 1.8 5.0 1135 896 A 27 GLU HA A 30 PHE H 1.0 1.8 4.0 1136 897 A 29 TYR H A 28 LYS HA 1.0 1.8 4.0 1137 898 A 27 GLU HA A 29 TYR H 1.0 1.8 5.0 1138 899 A 26 ALA HA A 29 TYR H 1.0 1.8 4.0 1139 900 A 28 LYS H A 27 GLU HA 1.0 1.8 4.0 1140 901 A 26 ALA HA A 28 LYS H 1.0 1.8 5.0 1141 902 A 25 THR HA A 28 LYS H 1.0 1.8 4.0 1142 903 A 24 ALA HA A 27 GLU H 1.0 1.8 4.0 1143 904 A 23 ALA HA A 27 GLU H 1.0 1.8 5.0 1144 905 A 26 ALA H A 24 ALA HA 1.0 1.8 5.0 1145 906 A 24 ALA HA A 25 THR H 1.0 1.8 4.0 1146 907 A 33 TYR H A 35 ASN H 1.0 1.8 5.0 1147 908 A 27 GLU H A 29 TYR H 1.0 1.8 5.0 1148 909 A 26 ALA H A 25 THR H 1.0 1.8 3.0 1149 910 A 24 ALA H A 25 THR H 1.0 1.8 3.0 1150 911 A 27 GLU HA A 30 PHE HBy 1.0 1.8 5.0 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _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 ALA O 1.0 1.5 2.5 4 4 A 24 ALA 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 TYR H A 29 TYR O 1.0 1.5 2.5 14 14 A 29 TYR O A 33 TYR 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 TYR O 1.0 1.5 2.5 22 22 A 33 TYR 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 LEU H A 1 THR O 1.0 1.5 2.5 36 36 A 1 THR O A 20 LEU N 1.0 2.3 3.2 37 37 A 20 LEU 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 64 64 A 26 ALA H A 22 ASP O 1.0 1.5 2.5 65 65 A 22 ASP O A 26 ALA N 1.0 2.3 3.2 66 66 A 9 LEU N A 12 ALA O 1.0 2.3 3.3 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 THR C A 2 THR N A 2 THR CA A 2 THR C 1.0 -119.6 -69.6 PHI 2 2 A 2 THR N A 2 THR CA A 2 THR C A 3 TYR N 1.0 117.3 132.9 PSI 3 3 A 2 THR C A 3 TYR N A 3 TYR CA A 3 TYR C 1.0 -150.9 -100.9 PHI 4 4 A 3 TYR N A 3 TYR CA A 3 TYR C A 4 LYS N 1.0 127.2 157.6 PSI 5 5 A 3 TYR C A 4 LYS N A 4 LYS CA A 4 LYS C 1.0 -151.5 -101.5 PHI 6 6 A 4 LYS N A 4 LYS CA A 4 LYS C A 5 LEU N 1.0 120.5 150.9 PSI 7 7 A 4 LYS C A 5 LEU N A 5 LEU CA A 5 LEU C 1.0 -137.9 -87.9 PHI 8 8 A 5 LEU N A 5 LEU CA A 5 LEU C A 6 ILE N 1.0 112.7 142.9 PSI 9 9 A 5 LEU C A 6 ILE N A 6 ILE CA A 6 ILE C 1.0 -134.6 -84.6 PHI 10 10 A 6 ILE N A 6 ILE CA A 6 ILE C A 7 LEU N 1.0 106.9 137.1 PSI 11 11 A 6 ILE C A 7 LEU N A 7 LEU CA A 7 LEU C 1.0 -135.9 -85.9 PHI 12 12 A 7 LEU N A 7 LEU CA A 7 LEU C A 8 ASN N 1.0 103.6 133.8 PSI 13 13 A 8 ASN C A 9 LEU N A 9 LEU CA A 9 LEU C 1.0 -120.9 -70.7 PHI 14 14 A 9 LEU N A 9 LEU CA A 9 LEU C A 10 LYS N 1.0 103.7 180.9 PSI 15 15 A 12 ALA C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -133.3 -83.3 PHI 16 16 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 GLU N 1.0 98.7 175.9 PSI 17 17 A 13 LYS C A 14 GLU N A 14 GLU CA A 14 GLU C 1.0 -158.0 -108.0 PHI 18 18 A 14 GLU N A 14 GLU CA A 14 GLU C A 15 GLU N 1.0 111.9 189.1 PSI 19 19 A 14 GLU C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -147.7 -97.7 PHI 20 20 A 15 GLU N A 15 GLU CA A 15 GLU C A 16 ALA N 1.0 102.7 179.9 PSI 21 21 A 15 GLU C A 16 ALA N A 16 ALA CA A 16 ALA C 1.0 -154.8 -104.8 PHI 22 22 A 16 ALA N A 16 ALA CA A 16 ALA C A 17 ILE N 1.0 108.0 185.2 PSI 23 23 A 16 ALA C A 17 ILE N A 17 ILE CA A 17 ILE C 1.0 -145.2 -95.2 PHI 24 24 A 17 ILE N A 17 ILE CA A 17 ILE C A 18 LYS N 1.0 105.8 183.0 PSI 25 25 A 17 ILE C A 18 LYS N A 18 LYS CA A 18 LYS C 1.0 -168.2 -118.2 PHI 26 26 A 18 LYS N A 18 LYS CA A 18 LYS C A 19 GLU N 1.0 95.6 173.0 PSI 27 27 A 18 LYS C A 19 GLU N A 19 GLU CA A 19 GLU C 1.0 -125.1 -75.1 PHI 28 28 A 19 GLU N A 19 GLU CA A 19 GLU C A 20 LEU N 1.0 89.6 166.8 PSI 29 29 A 22 ASP C A 23 ALA N A 23 ALA CA A 23 ALA C 1.0 -86.0 -36.0 PHI 30 30 A 23 ALA N A 23 ALA CA A 23 ALA C A 24 ALA N 1.0 -73.8 3.6 PSI 31 31 A 23 ALA C A 24 ALA N A 24 ALA CA A 24 ALA C 1.0 -90.9 -40.9 PHI 32 32 A 24 ALA N A 24 ALA CA A 24 ALA C A 25 THR N 1.0 -73.7 3.5 PSI 33 33 A 24 ALA C A 25 THR N A 25 THR CA A 25 THR C 1.0 -91.9 -41.9 PHI 34 34 A 25 THR N A 25 THR CA A 25 THR C A 26 ALA N 1.0 -78.8 -1.6 PSI 35 35 A 25 THR C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -87.2 -37.2 PHI 36 36 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 GLU N 1.0 -78.4 -1.2 PSI 37 37 A 26 ALA C A 27 GLU N A 27 GLU CA A 27 GLU C 1.0 -87.4 -37.4 PHI 38 38 A 27 GLU N A 27 GLU CA A 27 GLU C A 28 LYS N 1.0 -81.3 -3.9 PSI 39 39 A 27 GLU C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 -86.3 -36.3 PHI 40 40 A 28 LYS N A 28 LYS CA A 28 LYS C A 29 TYR N 1.0 -80.8 -3.4 PSI 41 41 A 28 LYS C A 29 TYR N A 29 TYR CA A 29 TYR C 1.0 -86.4 -36.4 PHI 42 42 A 29 TYR N A 29 TYR CA A 29 TYR C A 30 PHE N 1.0 -77.8 -0.6 PSI 43 43 A 29 TYR C A 30 PHE N A 30 PHE CA A 30 PHE C 1.0 -90.9 -40.9 PHI 44 44 A 30 PHE N A 30 PHE CA A 30 PHE C A 31 LYS N 1.0 -78.2 -1.0 PSI 45 45 A 30 PHE C A 31 LYS N A 31 LYS CA A 31 LYS C 1.0 -88.3 -38.3 PHI 46 46 A 31 LYS N A 31 LYS CA A 31 LYS C A 32 LEU N 1.0 -78.6 -1.4 PSI 47 47 A 31 LYS C A 32 LEU N A 32 LEU CA A 32 LEU C 1.0 -92.6 -42.6 PHI 48 48 A 32 LEU N A 32 LEU CA A 32 LEU C A 33 TYR N 1.0 -77.7 -0.5 PSI 49 49 A 32 LEU C A 33 TYR N A 33 TYR CA A 33 TYR C 1.0 -86.8 -36.8 PHI 50 50 A 33 TYR N A 33 TYR CA A 33 TYR C A 34 ALA N 1.0 -80.7 -3.5 PSI 51 51 A 33 TYR C A 34 ALA N A 34 ALA CA A 34 ALA C 1.0 -87.4 -37.4 PHI 52 52 A 34 ALA N A 34 ALA CA A 34 ALA C A 35 ASN N 1.0 -80.2 -3.0 PSI 53 53 A 34 ALA C A 35 ASN N A 35 ASN CA A 35 ASN C 1.0 -85.8 -35.8 PHI 54 54 A 35 ASN N A 35 ASN CA A 35 ASN C A 36 ALA N 1.0 -82.0 -4.8 PSI 55 55 A 35 ASN C A 36 ALA N A 36 ALA CA A 36 ALA C 1.0 -92.5 -42.5 PHI 56 56 A 36 ALA N A 36 ALA CA A 36 ALA C A 37 LYS N 1.0 -63.6 13.8 PSI 57 57 A 39 VAL C A 40 GLU N A 40 GLU CA A 40 GLU C 1.0 -155.4 -97.0 PHI 58 58 A 40 GLU N A 40 GLU CA A 40 GLU C A 41 GLY N 1.0 106.0 183.2 PSI 59 59 A 41 GLY C A 42 VAL N A 42 VAL CA A 42 VAL C 1.0 -111.7 -61.7 PHI 60 60 A 42 VAL N A 42 VAL CA A 42 VAL C A 43 TRP N 1.0 94.9 172.1 PSI 61 61 A 43 TRP C A 44 THR N A 44 THR CA A 44 THR C 1.0 -156.4 -106.4 PHI 62 62 A 44 THR N A 44 THR CA A 44 THR C A 45 TYR N 1.0 106.6 183.8 PSI 63 63 A 44 THR C A 45 TYR N A 45 TYR CA A 45 TYR C 1.0 -139.9 -89.9 PHI 64 64 A 45 TYR N A 45 TYR CA A 45 TYR C A 46 LYS N 1.0 91.2 168.4 PSI 65 65 A 45 TYR C A 46 LYS N A 46 LYS CA A 46 LYS C 1.0 -126.3 -76.3 PHI 66 66 A 46 LYS N A 46 LYS CA A 46 LYS C A 47 ASP N 1.0 82.0 159.4 PSI 67 67 A 50 LYS C A 51 THR N A 51 THR CA A 51 THR C 1.0 -158.6 -108.6 PHI 68 68 A 51 THR N A 51 THR CA A 51 THR C A 52 PHE N 1.0 110.5 187.9 PSI 69 69 A 51 THR C A 52 PHE N A 52 PHE CA A 52 PHE C 1.0 -140.4 -90.4 PHI 70 70 A 52 PHE N A 52 PHE CA A 52 PHE C A 53 THR N 1.0 92.6 170.0 PSI 71 71 A 52 PHE C A 53 THR N A 53 THR CA A 53 THR C 1.0 -143.7 -93.7 PHI 72 72 A 53 THR N A 53 THR CA A 53 THR C A 54 VAL N 1.0 88.4 165.6 PSI 73 73 A 53 THR C A 54 VAL N A 54 VAL CA A 54 VAL C 1.0 -138.3 -88.3 PHI 74 74 A 54 VAL N A 54 VAL CA A 54 VAL C A 55 THR N 1.0 88.7 165.9 PSI 75 75 A 54 VAL C A 55 THR N A 55 THR CA A 55 THR C 1.0 -141.0 -91.0 PHI 76 76 A 55 THR N A 55 THR CA A 55 THR C A 56 GLU N 1.0 98.0 175.2 PSI stop_ save_