data_nef_c17839_2lhc 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 17840 BMRB 17841 BMRB 17843 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 THR start . . 2 A 2 THR middle . . 3 A 3 TYR middle . . 4 A 4 LYS middle . . 5 A 5 LEU middle . . 6 A 6 ILE middle . . 7 A 7 LEU middle . . 8 A 8 ASN middle . . 9 A 9 LEU middle . . 10 A 10 LYS middle . . 11 A 11 GLN middle . . 12 A 12 ALA middle . . 13 A 13 LYS middle . . 14 A 14 GLU middle . . 15 A 15 GLU middle . . 16 A 16 ALA middle . . 17 A 17 ILE middle . . 18 A 18 LYS middle . . 19 A 19 GLU middle . . 20 A 20 LEU middle . . 21 A 21 VAL middle . . 22 A 22 ASP middle . . 23 A 23 ALA middle . . 24 A 24 GLY middle . false 25 A 25 THR middle . . 26 A 26 ALA middle . . 27 A 27 GLU middle . . 28 A 28 LYS middle . . 29 A 29 TYR middle . . 30 A 30 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 LEU middle . . 46 A 46 LYS middle . . 47 A 47 ASP middle . . 48 A 48 GLU middle . . 49 A 49 ILE middle . . 50 A 50 LYS middle . . 51 A 51 THR middle . . 52 A 52 PHE middle . . 53 A 53 THR middle . . 54 A 54 VAL middle . . 55 A 55 THR middle . . 56 A 56 GLU end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 THR C C 13 173.523 0.5 A 1 THR CA C 13 61.668 0.5 A 1 THR CB C 13 69.923 0.5 A 1 THR CG2 C 13 21.312 0.5 A 2 THR H H 1 7.994 0.005 A 2 THR HA H 1 4.125 0.022 A 2 THR HB H 1 3.95 0.001 A 2 THR HG2% H 1 0.917 0.032 A 2 THR C C 13 173.743 0.5 A 2 THR CA C 13 61.651 0.156 A 2 THR CB C 13 69.626 0.124 A 2 THR CG2 C 13 21.312 0.5 A 2 THR N N 15 128.64 0.032 A 3 TYR H H 1 8.325 0.013 A 3 TYR HA H 1 4.182 0.022 A 3 TYR HB2 H 1 2.69 0.024 A 3 TYR HB3 H 1 2.69 0.024 A 3 TYR HD1 H 1 6.896 0.05 A 3 TYR HD2 H 1 6.896 0.05 A 3 TYR HE1 H 1 6.649 0.11 A 3 TYR HE2 H 1 6.649 0.11 A 3 TYR C C 13 175.675 0.5 A 3 TYR CA C 13 58.3 0.058 A 3 TYR CB C 13 38.518 0.095 A 3 TYR CE1 C 13 118.066 0.5 A 3 TYR CE2 C 13 118.066 0.5 A 3 TYR N N 15 124.112 0.042 A 4 LYS H H 1 8.027 0.032 A 4 LYS HA H 1 3.883 0.026 A 4 LYS HB2 H 1 1.436 0.019 A 4 LYS HB3 H 1 1.436 0.019 A 4 LYS HE2 H 1 2.709 0.05 A 4 LYS HE3 H 1 2.709 0.05 A 4 LYS HG2 H 1 0.993 0.008 A 4 LYS HG3 H 1 0.993 0.008 A 4 LYS C C 13 175.923 0.5 A 4 LYS CA C 13 56.423 0.023 A 4 LYS CB C 13 32.767 0.213 A 4 LYS CD C 13 28.938 0.5 A 4 LYS CE C 13 38.978 0.5 A 4 LYS CG C 13 24.371 0.5 A 4 LYS N N 15 122.769 0.5 A 5 LEU H H 1 7.919 0.028 A 5 LEU HA H 1 4.06 0.018 A 5 LEU HB2 H 1 1.399 0.016 A 5 LEU HB3 H 1 1.399 0.016 A 5 LEU HDx% H 1 0.637 0.009 A 5 LEU HG H 1 1.489 0.024 A 5 LEU C C 13 177.167 0.5 A 5 LEU CA C 13 55.289 0.002 A 5 LEU CB C 13 42.015 0.039 A 5 LEU CD1 C 13 23.786 0.5 A 5 LEU CG C 13 27.181 0.5 A 5 LEU N N 15 122.314 0.012 A 6 ILE H H 1 7.998 0.026 A 6 ILE HA H 1 3.865 0.026 A 6 ILE HB H 1 1.703 0.016 A 6 ILE HD1% H 1 0.655 0.02 A 6 ILE HG12 H 1 1.298 0.044 A 6 ILE HG13 H 1 1.298 0.044 A 6 ILE C C 13 176.231 0.5 A 6 ILE CA C 13 61.39 0.22 A 6 ILE CB C 13 37.859 0.036 A 6 ILE CD1 C 13 17.229 0.5 A 6 ILE CG1 C 13 27.503 0.5 A 6 ILE N N 15 122.789 0.5 A 7 LEU H H 1 8.099 0.015 A 7 LEU HA H 1 4.18 0.018 A 7 LEU HB2 H 1 1.436 0.026 A 7 LEU HB3 H 1 1.436 0.026 A 7 LEU HDx% H 1 0.653 0.05 A 7 LEU HG H 1 1.556 0.034 A 7 LEU C C 13 177.079 0.5 A 7 LEU CA C 13 55.056 0.039 A 7 LEU CB C 13 42.718 0.039 A 7 LEU CG C 13 25.21 0.097 A 7 LEU N N 15 125.831 0.047 A 8 ASN H H 1 8.058 0.029 A 8 ASN HA H 1 4.474 0.025 A 8 ASN HBy H 1 2.852 0.03 A 8 ASN HBx H 1 2.661 0.019 A 8 ASN C C 13 175.25 0.5 A 8 ASN CA C 13 52.483 0.088 A 8 ASN CB C 13 38.877 0.102 A 8 ASN N N 15 118.052 0.066 A 9 LEU H H 1 8.251 0.01 A 9 LEU HA H 1 3.652 0.016 A 9 LEU HB2 H 1 1.213 0.074 A 9 LEU HB3 H 1 1.213 0.074 A 9 LEU HDx% H 1 0.319 0.015 A 9 LEU HG H 1 1.673 0.05 A 9 LEU C C 13 177.065 0.5 A 9 LEU CA C 13 58.524 0.021 A 9 LEU CB C 13 41.95 0.1 A 9 LEU CD1 C 13 23.405 0.5 A 9 LEU CG C 13 25.524 0.111 A 9 LEU N N 15 121.908 0.019 A 10 LYS H H 1 7.94 0.012 A 10 LYS HA H 1 3.66 0.013 A 10 LYS HB2 H 1 1.712 0.029 A 10 LYS HB3 H 1 1.712 0.029 A 10 LYS HD2 H 1 1.26 0.05 A 10 LYS HD3 H 1 1.26 0.05 A 10 LYS C C 13 178.689 0.5 A 10 LYS CA C 13 59.8 0.161 A 10 LYS CB C 13 32.269 0.12 A 10 LYS CE C 13 42.081 0.5 A 10 LYS CG C 13 25.191 0.5 A 10 LYS N N 15 118.87 0.11 A 11 GLN H H 1 7.549 0.024 A 11 GLN HA H 1 3.897 0.022 A 11 GLN HB2 H 1 1.992 0.051 A 11 GLN HB3 H 1 1.992 0.051 A 11 GLN HGx H 1 2.238 0.082 A 11 GLN HGy H 1 2.385 0.006 A 11 GLN C C 13 179.084 0.5 A 11 GLN CA C 13 59.185 0.152 A 11 GLN CB C 13 29.471 0.133 A 11 GLN CG C 13 33.199 0.06 A 11 GLN N N 15 117.959 0.5 A 12 ALA H H 1 8.363 0.015 A 12 ALA HA H 1 3.903 0.02 A 12 ALA HB% H 1 1.101 0.032 A 12 ALA C C 13 179.596 0.5 A 12 ALA CA C 13 55.423 0.022 A 12 ALA CB C 13 18.216 0.064 A 12 ALA N N 15 122.975 0.5 A 13 LYS H H 1 8.097 0.026 A 13 LYS HA H 1 3.337 0.085 A 13 LYS HB2 H 1 1.626 0.061 A 13 LYS HB3 H 1 1.626 0.061 A 13 LYS HD2 H 1 1.418 0.028 A 13 LYS HD3 H 1 1.418 0.028 A 13 LYS C C 13 177.621 0.5 A 13 LYS CA C 13 60.687 0.157 A 13 LYS CB C 13 32.883 0.028 A 13 LYS CE C 13 41.993 0.5 A 13 LYS N N 15 116.93 0.012 A 14 GLU H H 1 7.582 0.022 A 14 GLU HA H 1 3.714 0.073 A 14 GLU HB2 H 1 1.88 0.018 A 14 GLU HB3 H 1 1.88 0.018 A 14 GLU HG2 H 1 2.245 0.009 A 14 GLU HG3 H 1 2.245 0.009 A 14 GLU C C 13 180.065 0.5 A 14 GLU CA C 13 59.584 0.023 A 14 GLU CB C 13 29.189 0.189 A 14 GLU CG C 13 36.402 0.5 A 14 GLU N N 15 116.977 0.5 A 15 GLU H H 1 8.313 0.035 A 15 GLU HA H 1 3.909 0.024 A 15 GLU HB2 H 1 1.959 0.039 A 15 GLU HB3 H 1 1.959 0.039 A 15 GLU HGx H 1 2.158 0.063 A 15 GLU HGy H 1 2.358 0.044 A 15 GLU C C 13 178.367 0.5 A 15 GLU CA C 13 58.599 0.23 A 15 GLU CB C 13 29.035 0.031 A 15 GLU CG C 13 33.416 0.5 A 15 GLU N N 15 119.464 0.015 A 16 ALA H H 1 8.427 0.029 A 16 ALA HA H 1 3.778 0.012 A 16 ALA HB% H 1 0.949 0.024 A 16 ALA C C 13 179.245 0.5 A 16 ALA CA C 13 55.332 0.04 A 16 ALA CB C 13 18.756 0.5 A 16 ALA N N 15 122.073 0.003 A 17 ILE H H 1 8.177 0.014 A 17 ILE HA H 1 3.099 0.015 A 17 ILE HB H 1 1.574 0.013 A 17 ILE HD1% H 1 0.496 0.05 A 17 ILE HG2% H 1 0.774 0.01 A 17 ILE C C 13 177.196 0.5 A 17 ILE CA C 13 65.069 0.053 A 17 ILE CB C 13 36.634 0.02 A 17 ILE N N 15 117.151 0.032 A 18 LYS H H 1 7.525 0.017 A 18 LYS HA H 1 3.669 0.036 A 18 LYS HB2 H 1 1.648 0.012 A 18 LYS HB3 H 1 1.648 0.012 A 18 LYS C C 13 178.279 0.5 A 18 LYS CA C 13 59.975 0.5 A 18 LYS CB C 13 32.015 0.174 A 18 LYS N N 15 119.317 0.009 A 19 GLU H H 1 8.226 0.021 A 19 GLU HA H 1 3.925 0.038 A 19 GLU HBy H 1 1.991 0.002 A 19 GLU HBx H 1 1.822 0.067 A 19 GLU HG2 H 1 1.979 0.039 A 19 GLU HG3 H 1 1.979 0.039 A 19 GLU C C 13 178.104 0.5 A 19 GLU CA C 13 58.905 0.124 A 19 GLU CB C 13 28.531 0.5 A 19 GLU CG C 13 36.285 0.5 A 19 GLU N N 15 119.267 0.5 A 20 LEU H H 1 8.018 0.017 A 20 LEU HA H 1 3.923 0.005 A 20 LEU HDx% H 1 0.592 0.061 A 20 LEU C C 13 179.991 0.5 A 20 LEU CA C 13 58.102 0.5 A 20 LEU CB C 13 40.825 0.5 A 20 LEU N N 15 120.447 0.034 A 21 VAL H H 1 9.048 0.021 A 21 VAL HA H 1 3.818 0.074 A 21 VAL HB H 1 2.142 0.073 A 21 VAL HGx% H 1 0.768 0.038 A 21 VAL C C 13 177.431 0.5 A 21 VAL CA C 13 66.379 0.016 A 21 VAL CB C 13 31.987 0.5 A 21 VAL CG1 C 13 23.127 0.5 A 21 VAL N N 15 124.479 0.5 A 22 ASP H H 1 8.077 0.021 A 22 ASP HA H 1 3.944 0.017 A 22 ASP HBy H 1 2.666 0.006 A 22 ASP HBx H 1 2.497 0.021 A 22 ASP C C 13 179.713 0.5 A 22 ASP CA C 13 57.116 0.156 A 22 ASP CB C 13 39.5 0.167 A 22 ASP N N 15 121.941 0.5 A 23 ALA H H 1 6.897 0.015 A 23 ALA HA H 1 4.18 0.085 A 23 ALA HB% H 1 1.327 0.042 A 23 ALA C C 13 177.855 0.5 A 23 ALA CA C 13 52.301 0.5 A 23 ALA CB C 13 18.99 0.5 A 23 ALA N N 15 116.831 0.5 A 24 GLY H H 1 8.002 0.006 A 24 GLY HAy H 1 3.949 0.03 A 24 GLY HAx H 1 3.745 0.009 A 24 GLY C C 13 174.665 0.5 A 24 GLY CA C 13 45.811 0.067 A 24 GLY N N 15 107.83 0.035 A 25 THR H H 1 7.784 0.018 A 25 THR HA H 1 3.818 0.062 A 25 THR HB H 1 3.59 0.044 A 25 THR HG2% H 1 1.298 0.035 A 25 THR C C 13 173.187 0.5 A 25 THR CA C 13 64.001 0.009 A 25 THR CB C 13 69.674 0.073 A 25 THR N N 15 117.914 0.025 A 26 ALA H H 1 8.749 0.018 A 26 ALA HA H 1 3.997 0.034 A 26 ALA HB% H 1 1.258 0.024 A 26 ALA C C 13 177.884 0.5 A 26 ALA CA C 13 53.109 0.017 A 26 ALA CB C 13 18.868 0.079 A 26 ALA N N 15 128.48 0.009 A 27 GLU H H 1 8.15 0.024 A 27 GLU HA H 1 2.239 0.038 A 27 GLU HB2 H 1 1.548 0.012 A 27 GLU HB3 H 1 1.548 0.012 A 27 GLU HG2 H 1 1.889 0.028 A 27 GLU HG3 H 1 1.889 0.028 A 27 GLU C C 13 178.631 0.5 A 27 GLU CA C 13 57.838 0.12 A 27 GLU CB C 13 28.918 0.071 A 27 GLU CG C 13 35.919 0.5 A 27 GLU N N 15 120.909 0.045 A 28 LYS H H 1 7.989 0.011 A 28 LYS HA H 1 3.789 0.04 A 28 LYS HB2 H 1 2.21 0.013 A 28 LYS HB3 H 1 2.21 0.013 A 28 LYS HD2 H 1 1.406 0.089 A 28 LYS HD3 H 1 1.406 0.089 A 28 LYS C C 13 177.211 0.5 A 28 LYS CA C 13 58.09 0.01 A 28 LYS CB C 13 30.996 0.26 A 28 LYS N N 15 117.447 0.02 A 29 TYR H H 1 7.273 0.019 A 29 TYR HA H 1 4.387 0.024 A 29 TYR HBy H 1 3.103 0.039 A 29 TYR HBx H 1 2.5 0.02 A 29 TYR HD1 H 1 6.964 0.006 A 29 TYR HD2 H 1 6.964 0.006 A 29 TYR HE1 H 1 6.678 0.024 A 29 TYR HE2 H 1 6.678 0.024 A 29 TYR C C 13 177.313 0.5 A 29 TYR CA C 13 59.358 0.04 A 29 TYR CB C 13 38.456 0.026 A 29 TYR CD1 C 13 126.886 0.5 A 29 TYR CD2 C 13 126.886 0.5 A 29 TYR CE1 C 13 118.394 0.5 A 29 TYR CE2 C 13 118.394 0.5 A 29 TYR N N 15 116.462 0.022 A 30 PHE H H 1 7.991 0.013 A 30 PHE HA H 1 4.08 0.017 A 30 PHE HB2 H 1 3.072 0.028 A 30 PHE HB3 H 1 3.072 0.028 A 30 PHE HD1 H 1 6.95 0.035 A 30 PHE HD2 H 1 6.95 0.035 A 30 PHE C C 13 178.762 0.5 A 30 PHE CA C 13 58.572 0.031 A 30 PHE CB C 13 42.121 0.009 A 30 PHE N N 15 119.334 0.042 A 31 LYS H H 1 7.916 0.026 A 31 LYS HA H 1 3.904 0.053 A 31 LYS HB2 H 1 1.623 0.017 A 31 LYS HB3 H 1 1.623 0.017 A 31 LYS HE2 H 1 2.481 0.001 A 31 LYS HE3 H 1 2.481 0.001 A 31 LYS HG2 H 1 1.268 0.017 A 31 LYS HG3 H 1 1.268 0.017 A 31 LYS C C 13 177.694 0.5 A 31 LYS CA C 13 58.62 0.054 A 31 LYS CB C 13 31.552 0.122 A 31 LYS CE C 13 41.671 0.5 A 31 LYS CG C 13 23.669 0.5 A 31 LYS N N 15 118.612 0.002 A 32 LEU H H 1 7.316 0.02 A 32 LEU HA H 1 3.765 0.099 A 32 LEU HBy H 1 1.939 0.017 A 32 LEU HBx H 1 1.392 0.046 A 32 LEU HDx% H 1 0.685 0.029 A 32 LEU HG H 1 1.675 0.017 A 32 LEU C C 13 177.021 0.5 A 32 LEU CA C 13 57.341 0.5 A 32 LEU CB C 13 41.417 0.5 A 32 LEU N N 15 117.737 0.043 A 33 ILE H H 1 7.62 0.012 A 33 ILE HA H 1 3.652 0.08 A 33 ILE HB H 1 2.097 0.025 A 33 ILE HD1% H 1 0.658 0.019 A 33 ILE HG12 H 1 1.299 0.026 A 33 ILE HG13 H 1 1.299 0.026 A 33 ILE C C 13 177.489 0.5 A 33 ILE CA C 13 61.785 0.5 A 33 ILE CB C 13 35.702 0.5 A 33 ILE N N 15 119.064 0.5 A 34 ALA H H 1 7.594 0.014 A 34 ALA HA H 1 3.78 0.03 A 34 ALA HB% H 1 1.223 0.022 A 34 ALA C C 13 179.128 0.5 A 34 ALA CA C 13 54.852 0.037 A 34 ALA CB C 13 18.25 0.116 A 34 ALA N N 15 119.319 0.006 A 35 ASN H H 1 7.264 0.017 A 35 ASN HA H 1 4.493 0.016 A 35 ASN HBy H 1 2.658 0.033 A 35 ASN HBx H 1 2.499 0.023 A 35 ASN C C 13 175.265 0.5 A 35 ASN CA C 13 52.596 0.002 A 35 ASN CB C 13 38.907 0.082 A 35 ASN N N 15 112.212 0.018 A 36 ALA H H 1 7.27 0.018 A 36 ALA HA H 1 4.009 0.026 A 36 ALA HB% H 1 1.201 0.017 A 36 ALA C C 13 177.826 0.5 A 36 ALA CA C 13 53.137 0.044 A 36 ALA CB C 13 19.517 0.5 A 36 ALA N N 15 124.435 0.043 A 37 LYS H H 1 8.682 0.016 A 37 LYS HA H 1 4.173 0.045 A 37 LYS HBy H 1 1.819 0.023 A 37 LYS HBx H 1 1.556 0.033 A 37 LYS HG2 H 1 1.324 0.012 A 37 LYS HG3 H 1 1.324 0.012 A 37 LYS C C 13 176.772 0.5 A 37 LYS CA C 13 56.537 0.024 A 37 LYS CB C 13 34.899 0.095 A 37 LYS CD C 13 28.542 0.5 A 37 LYS CE C 13 41.539 0.5 A 37 LYS CG C 13 25.088 0.5 A 37 LYS N N 15 116.671 0.024 A 38 THR H H 1 7.232 0.013 A 38 THR HA H 1 4.541 0.026 A 38 THR HB H 1 4.392 0.041 A 38 THR HG2% H 1 0.966 0.018 A 38 THR C C 13 173.816 0.5 A 38 THR CA C 13 58.209 0.005 A 38 THR CB C 13 72.726 0.109 A 38 THR CG2 C 13 21.927 0.5 A 38 THR N N 15 106.22 0.5 A 39 VAL H H 1 8.835 0.018 A 39 VAL HA H 1 2.878 0.037 A 39 VAL HB H 1 1.628 0.02 A 39 VAL HGx% H 1 0.661 0.048 A 39 VAL C C 13 176.655 0.5 A 39 VAL CA C 13 67.118 0.053 A 39 VAL CB C 13 31.26 0.256 A 39 VAL N N 15 122.896 0.5 A 40 GLU H H 1 8.735 0.013 A 40 GLU HA H 1 3.782 0.023 A 40 GLU HB2 H 1 1.786 0.025 A 40 GLU HB3 H 1 1.786 0.025 A 40 GLU HG2 H 1 2.117 0.023 A 40 GLU HG3 H 1 2.117 0.023 A 40 GLU C C 13 179.362 0.5 A 40 GLU CA C 13 59.924 0.134 A 40 GLU CB C 13 28.256 0.156 A 40 GLU CG C 13 36.68 0.5 A 40 GLU N N 15 117.945 0.025 A 41 GLY H H 1 8.019 0.011 A 41 GLY HAy H 1 3.603 0.023 A 41 GLY HAx H 1 2.457 0.041 A 41 GLY C C 13 176.275 0.5 A 41 GLY CA C 13 46.305 0.147 A 41 GLY N N 15 108.576 0.055 A 42 VAL H H 1 7.705 0.015 A 42 VAL HA H 1 3.743 0.016 A 42 VAL HB H 1 2.006 0.057 A 42 VAL HGx% H 1 0.611 0.026 A 42 VAL HGy% H 1 0.681 0.044 A 42 VAL C C 13 177.211 0.5 A 42 VAL CA C 13 67.317 0.115 A 42 VAL CB C 13 30.233 0.002 A 42 VAL CG1 C 13 23.688 0.5 A 42 VAL N N 15 122.823 0.5 A 43 TRP H H 1 7.497 0.048 A 43 TRP HA H 1 4.312 0.032 A 43 TRP HBy H 1 3.194 0.025 A 43 TRP HBx H 1 3.09 0.012 A 43 TRP HD1 H 1 6.933 0.036 A 43 TRP HE1 H 1 9.882 0.004 A 43 TRP HE3 H 1 7.276 0.033 A 43 TRP HH2 H 1 6.801 0.105 A 43 TRP HZ2 H 1 7.234 0.002 A 43 TRP HZ3 H 1 6.926 0.004 A 43 TRP C C 13 178.879 0.5 A 43 TRP CA C 13 59.233 0.03 A 43 TRP CB C 13 28.803 0.076 A 43 TRP CD1 C 13 129.535 0.5 A 43 TRP CE3 C 13 120.116 0.012 A 43 TRP CH2 C 13 121.152 0.5 A 43 TRP CZ2 C 13 114.529 0.5 A 43 TRP CZ3 C 13 123.992 0.5 A 43 TRP N N 15 119.439 0.5 A 43 TRP NE1 N 15 128.274 0.5 A 44 THR H H 1 8.278 0.034 A 44 THR HA H 1 3.877 0.034 A 44 THR HB H 1 4.099 0.081 A 44 THR HG2% H 1 1.059 0.024 A 44 THR C C 13 177.299 0.5 A 44 THR CA C 13 66.178 0.002 A 44 THR CB C 13 68.938 0.106 A 44 THR CG2 C 13 22.161 0.5 A 44 THR N N 15 115.13 0.02 A 45 LEU H H 1 7.835 0.016 A 45 LEU HA H 1 3.939 0.038 A 45 LEU HB2 H 1 1.671 0.049 A 45 LEU HB3 H 1 1.671 0.049 A 45 LEU HDx% H 1 0.642 0.009 A 45 LEU HG H 1 1.098 0.016 A 45 LEU C C 13 178.235 0.5 A 45 LEU CA C 13 57.647 0.036 A 45 LEU CB C 13 42.308 0.037 A 45 LEU CG C 13 24.678 0.5 A 45 LEU N N 15 123.159 0.018 A 46 LYS H H 1 8.521 0.025 A 46 LYS HA H 1 3.52 0.025 A 46 LYS HB2 H 1 1.811 0.082 A 46 LYS HB3 H 1 1.811 0.082 A 46 LYS HG2 H 1 1.222 0.018 A 46 LYS HG3 H 1 1.222 0.018 A 46 LYS C C 13 177.518 0.5 A 46 LYS CA C 13 60.558 0.002 A 46 LYS CB C 13 30.225 0.066 A 46 LYS N N 15 119.348 0.022 A 47 ASP H H 1 7.45 0.012 A 47 ASP HA H 1 3.736 0.089 A 47 ASP HB2 H 1 2.484 0.029 A 47 ASP HB3 H 1 2.484 0.029 A 47 ASP C C 13 178.689 0.5 A 47 ASP CA C 13 57.139 0.024 A 47 ASP CB C 13 39.796 0.157 A 47 ASP N N 15 117.39 0.5 A 48 GLU H H 1 7.732 0.068 A 48 GLU HA H 1 3.76 0.013 A 48 GLU HB2 H 1 1.855 0.025 A 48 GLU HB3 H 1 1.855 0.025 A 48 GLU C C 13 179.201 0.5 A 48 GLU CA C 13 59.072 0.021 A 48 GLU CB C 13 29.661 0.044 A 48 GLU CG C 13 35.685 0.5 A 48 GLU N N 15 121.902 0.018 A 49 ILE H H 1 8.551 0.01 A 49 ILE HA H 1 3.58 0.04 A 49 ILE HB H 1 1.47 0.049 A 49 ILE HD1% H 1 0.555 0.043 A 49 ILE C C 13 178.704 0.5 A 49 ILE CA C 13 64.001 0.153 A 49 ILE CB C 13 37.963 0.5 A 49 ILE N N 15 120.605 0.01 A 50 LYS H H 1 7.567 0.024 A 50 LYS HA H 1 3.709 0.06 A 50 LYS HB2 H 1 1.65 0.055 A 50 LYS HB3 H 1 1.65 0.055 A 50 LYS HE2 H 1 2.767 0.05 A 50 LYS HE3 H 1 2.767 0.05 A 50 LYS C C 13 177.753 0.5 A 50 LYS CA C 13 59.664 0.186 A 50 LYS CB C 13 32.153 0.137 A 50 LYS CG C 13 25.44 0.5 A 50 LYS N N 15 119.061 0.178 A 51 THR H H 1 7.426 0.003 A 51 THR HA H 1 4.148 0.003 A 51 THR HB H 1 3.853 0.055 A 51 THR HG2% H 1 0.963 0.029 A 51 THR C C 13 175.44 0.5 A 51 THR CA C 13 63.347 0.134 A 51 THR CB C 13 69.707 0.23 A 51 THR N N 15 109.727 0.046 A 52 PHE H H 1 7.446 0.018 A 52 PHE HA H 1 4.508 0.043 A 52 PHE HBy H 1 2.965 0.021 A 52 PHE HBx H 1 2.869 0.027 A 52 PHE HD1 H 1 6.639 0.025 A 52 PHE HD2 H 1 6.639 0.025 A 52 PHE HE1 H 1 6.958 0.044 A 52 PHE HE2 H 1 6.958 0.044 A 52 PHE C C 13 176.816 0.5 A 52 PHE CA C 13 56.96 0.034 A 52 PHE CB C 13 37.524 0.063 A 52 PHE CD1 C 13 130.709 0.5 A 52 PHE CD2 C 13 130.709 0.5 A 52 PHE CE1 C 13 132.594 0.5 A 52 PHE CE2 C 13 132.594 0.5 A 52 PHE N N 15 120.966 0.038 A 53 THR H H 1 7.953 0.029 A 53 THR HA H 1 4.223 0.019 A 53 THR HB H 1 4.089 0.009 A 53 THR HG2% H 1 1.007 0.05 A 53 THR C C 13 180.987 0.5 A 53 THR CA C 13 58.214 0.5 A 53 THR CB C 13 70.157 0.5 A 53 THR N N 15 114.357 0.017 A 54 VAL H H 1 8.045 0.02 A 54 VAL HA H 1 4.102 0.037 A 54 VAL HB H 1 1.998 0.003 A 54 VAL HGx% H 1 0.752 0.025 A 54 VAL C C 13 179.509 0.5 A 54 VAL CA C 13 62.553 0.01 A 54 VAL CB C 13 32.722 0.048 A 54 VAL CG1 C 13 20.815 0.5 A 54 VAL N N 15 122.097 0.5 A 55 THR H H 1 8.209 0.007 A 55 THR HA H 1 4.235 0.05 A 55 THR HB H 1 4.015 0.05 A 55 THR HG2% H 1 0.967 0.05 A 55 THR CA C 13 61.732 0.5 A 55 THR CB C 13 69.869 0.5 A 55 THR N N 15 118.59 0.004 A 56 GLU H H 1 7.993 0.002 A 56 GLU CA C 13 57.985 0.5 A 56 GLU CB C 13 30.469 0.5 A 56 GLU N N 15 128.656 0.056 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 44 THR HG2% A 40 GLU HG2 1.0 1.8 5.5 2 1 A 40 GLU HG3 A 44 THR HG2% 1.0 1.8 5.5 3 2 A 33 ILE HD1% A 15 GLU HB2 1.0 1.8 4.0 4 2 A 15 GLU HB3 A 33 ILE HD1% 1.0 1.8 4.0 5 3 A 16 ALA HB% A 43 TRP H 1.0 2.8 6.0 6 4 A 26 ALA HB% A 29 TYR HE% 1.0 1.8 5.5 7 5 A 29 TYR HA A 32 LEU HG 1.0 2.8 6.0 8 6 A 33 ILE HD1% A 34 ALA HB% 1.0 1.8 3.0 9 7 A 38 THR HA A 41 GLY H 1.0 1.8 5.5 10 8 A 2 THR HA A 2 THR HB 1.0 1.8 5.5 11 9 A 2 THR HA A 2 THR HG2% 1.0 1.8 4.0 12 9 A 2 THR HA A 2 THR HG1 1.0 1.8 4.0 13 10 A 2 THR HA A 2 THR H 1.0 1.8 4.0 14 11 A 2 THR HA A 2 THR HB 1.0 2.8 6.0 15 12 A 3 TYR HA A 3 TYR HB2 1.0 1.8 4.0 16 12 A 3 TYR HA A 3 TYR HB3 1.0 1.8 4.0 17 13 A 3 TYR HA A 3 TYR HB2 1.0 1.8 4.0 18 13 A 3 TYR HA A 3 TYR HB3 1.0 1.8 4.0 19 14 A 3 TYR HD% A 3 TYR HB2 1.0 1.8 5.5 20 14 A 3 TYR HB3 A 3 TYR HD% 1.0 1.8 5.5 21 15 A 3 TYR HE% A 3 TYR HB2 1.0 1.8 4.0 22 15 A 3 TYR HB3 A 3 TYR HE% 1.0 1.8 4.0 23 16 A 3 TYR H A 3 TYR HB2 1.0 1.8 5.5 24 16 A 3 TYR HB3 A 3 TYR H 1.0 1.8 5.5 25 17 A 4 LYS HA A 4 LYS HB2 1.0 1.8 3.0 26 17 A 4 LYS HA A 4 LYS HB3 1.0 1.8 3.0 27 18 A 4 LYS HA A 4 LYS HG2 1.0 1.8 4.0 28 18 A 4 LYS HA A 4 LYS HG3 1.0 1.8 4.0 29 19 A 4 LYS HA A 4 LYS H 1.0 1.8 4.0 30 20 A 4 LYS HA A 4 LYS HB2 1.0 1.8 4.0 31 20 A 4 LYS HA A 4 LYS HB3 1.0 1.8 4.0 32 21 A 4 LYS HB3 A 4 LYS HG2 1.0 1.8 4.0 33 21 A 4 LYS HB2 A 4 LYS HG2 1.0 1.8 4.0 34 21 A 4 LYS HG3 A 4 LYS HB2 1.0 1.8 4.0 35 21 A 4 LYS HB3 A 4 LYS HG3 1.0 1.8 4.0 36 22 A 4 LYS H A 4 LYS HB2 1.0 1.8 4.0 37 22 A 4 LYS HB3 A 4 LYS H 1.0 1.8 4.0 38 23 A 5 LEU HA A 5 LEU HB2 1.0 1.8 3.0 39 23 A 5 LEU HA A 5 LEU HB3 1.0 1.8 3.0 40 24 A 5 LEU HA A 5 LEU HDx% 1.0 1.8 3.0 41 25 A 5 LEU HA A 5 LEU H 1.0 1.8 4.0 42 26 A 5 LEU HA A 5 LEU HB2 1.0 1.8 4.0 43 26 A 5 LEU HA A 5 LEU HB3 1.0 1.8 4.0 44 27 A 5 LEU HDx% A 5 LEU HB2 1.0 1.8 3.0 45 27 A 5 LEU HB3 A 5 LEU HDx% 1.0 1.8 3.0 46 28 A 5 LEU HG A 5 LEU HB2 1.0 1.8 3.0 47 28 A 5 LEU HB3 A 5 LEU HG 1.0 1.8 3.0 48 29 A 5 LEU H A 5 LEU HB2 1.0 1.8 4.0 49 29 A 5 LEU HB3 A 5 LEU H 1.0 1.8 4.0 50 30 A 5 LEU HA A 5 LEU HDx% 1.0 1.8 3.0 51 31 A 5 LEU HDx% A 5 LEU HB2 1.0 1.8 3.0 52 31 A 5 LEU HB3 A 5 LEU HDx% 1.0 1.8 3.0 53 32 A 5 LEU HDx% A 5 LEU HG 1.0 1.8 4.0 54 33 A 5 LEU HDx% A 5 LEU H 1.0 2.8 6.0 55 34 A 5 LEU HG A 5 LEU HB2 1.0 1.8 3.0 56 34 A 5 LEU HB3 A 5 LEU HG 1.0 1.8 3.0 57 35 A 6 ILE HA A 6 ILE HB 1.0 1.8 4.0 58 36 A 6 ILE HA A 6 ILE HD1% 1.0 1.8 3.0 59 37 A 6 ILE HA A 6 ILE HG12 1.0 1.8 4.0 60 37 A 6 ILE HA A 6 ILE HG13 1.0 1.8 4.0 61 38 A 6 ILE HA A 6 ILE H 1.0 1.8 3.0 62 39 A 6 ILE HB A 4 LYS HG2 1.0 1.8 4.0 63 39 A 4 LYS HG3 A 6 ILE HB 1.0 1.8 4.0 64 40 A 6 ILE HA A 6 ILE HB 1.0 1.8 4.0 65 41 A 6 ILE HB A 6 ILE HD1% 1.0 1.8 3.0 66 42 A 6 ILE HB A 6 ILE HG12 1.0 1.8 4.0 67 42 A 6 ILE HB A 6 ILE HG13 1.0 1.8 4.0 68 43 A 6 ILE HB A 6 ILE H 1.0 1.8 4.0 69 44 A 6 ILE HB A 7 LEU HA 1.0 2.8 6.0 70 45 A 6 ILE HA A 6 ILE HD1% 1.0 1.8 3.0 71 46 A 6 ILE HB A 6 ILE HD1% 1.0 1.8 3.0 72 47 A 6 ILE HD1% A 6 ILE HG12 1.0 1.8 5.5 73 47 A 6 ILE HD1% A 6 ILE HG13 1.0 1.8 5.5 74 48 A 6 ILE HD1% A 6 ILE H 1.0 1.8 4.0 75 49 A 7 LEU HA A 7 LEU HB2 1.0 1.8 3.0 76 49 A 7 LEU HA A 7 LEU HB3 1.0 1.8 3.0 77 50 A 7 LEU HA A 7 LEU HDx% 1.0 1.8 4.0 78 51 A 7 LEU HA A 7 LEU HG 1.0 1.8 4.0 79 52 A 7 LEU HA A 7 LEU H 1.0 1.8 3.0 80 53 A 7 LEU HA A 7 LEU HB2 1.0 1.8 4.0 81 53 A 7 LEU HA A 7 LEU HB3 1.0 1.8 4.0 82 54 A 7 LEU HDx% A 7 LEU HB2 1.0 1.8 3.0 83 54 A 7 LEU HB3 A 7 LEU HDx% 1.0 1.8 3.0 84 55 A 7 LEU HG A 7 LEU HB2 1.0 1.8 3.0 85 55 A 7 LEU HB3 A 7 LEU HG 1.0 1.8 3.0 86 56 A 7 LEU H A 7 LEU HB2 1.0 1.8 4.0 87 56 A 7 LEU HB3 A 7 LEU H 1.0 1.8 4.0 88 57 A 7 LEU HG A 7 LEU HB2 1.0 1.8 4.0 89 57 A 7 LEU HB3 A 7 LEU HG 1.0 1.8 4.0 90 58 A 8 ASN HA A 8 ASN HBx 1.0 1.8 4.0 91 59 A 8 ASN HA A 8 ASN HBy 1.0 1.8 3.0 92 60 A 8 ASN HA A 8 ASN H 1.0 1.8 4.0 93 61 A 6 ILE HD1% A 8 ASN HBx 1.0 2.8 6.0 94 62 A 6 ILE HD1% A 8 ASN HBy 1.0 1.8 5.5 95 63 A 8 ASN HA A 8 ASN HBx 1.0 1.8 4.0 96 64 A 8 ASN HA A 8 ASN HBy 1.0 1.8 4.0 97 65 A 8 ASN HBx A 8 ASN HBy 1.0 1.8 5.5 98 66 A 8 ASN HBx A 8 ASN HBy 1.0 1.8 3.0 99 67 A 8 ASN HBx A 8 ASN H 1.0 1.8 5.5 100 68 A 8 ASN HBy A 8 ASN H 1.0 1.8 5.5 101 69 A 8 ASN HBx A 9 LEU H 1.0 1.8 5.5 102 70 A 8 ASN HBy A 9 LEU H 1.0 1.8 4.0 103 71 A 9 LEU HA A 9 LEU HB2 1.0 1.8 4.0 104 71 A 9 LEU HA A 9 LEU HB3 1.0 1.8 4.0 105 72 A 9 LEU HA A 9 LEU HDx% 1.0 1.8 4.0 106 73 A 9 LEU HA A 9 LEU HG 1.0 1.8 4.0 107 74 A 9 LEU H A 9 LEU HA 1.0 1.8 5.5 108 75 A 9 LEU HA A 10 LYS H 1.0 1.8 5.5 109 76 A 9 LEU HA A 11 GLN H 1.0 1.8 5.5 110 77 A 9 LEU HA A 12 ALA HB% 1.0 1.8 4.0 111 78 A 9 LEU HA A 39 VAL HGx% 1.0 1.8 4.0 112 79 A 9 LEU HA A 9 LEU HB2 1.0 1.8 5.5 113 79 A 9 LEU HA A 9 LEU HB3 1.0 1.8 5.5 114 80 A 9 LEU HDx% A 9 LEU HB2 1.0 1.8 5.5 115 80 A 9 LEU HB3 A 9 LEU HDx% 1.0 1.8 5.5 116 81 A 9 LEU HG A 9 LEU HB2 1.0 1.8 4.0 117 81 A 9 LEU HB3 A 9 LEU HG 1.0 1.8 4.0 118 82 A 10 LYS H A 9 LEU HB2 1.0 2.8 6.0 119 82 A 9 LEU HB3 A 10 LYS H 1.0 2.8 6.0 120 83 A 8 ASN HA A 9 LEU HDx% 1.0 1.8 5.5 121 84 A 8 ASN HBx A 9 LEU HDx% 1.0 1.8 5.5 122 85 A 9 LEU HA A 9 LEU HDx% 1.0 1.8 4.0 123 86 A 9 LEU HDx% A 9 LEU HB2 1.0 1.8 5.5 124 86 A 9 LEU HB3 A 9 LEU HDx% 1.0 1.8 5.5 125 87 A 9 LEU HDx% A 9 LEU HG 1.0 1.8 5.5 126 88 A 9 LEU HDx% A 38 THR H 1.0 2.8 6.0 127 89 A 9 LEU HDx% A 42 VAL HB 1.0 2.8 6.0 128 90 A 9 LEU HG A 9 LEU HB2 1.0 1.8 4.0 129 90 A 9 LEU HB3 A 9 LEU HG 1.0 1.8 4.0 130 91 A 9 LEU HDx% A 9 LEU HG 1.0 1.8 5.5 131 92 A 10 LYS HA A 10 LYS HB2 1.0 1.8 3.0 132 92 A 10 LYS HA A 10 LYS HB3 1.0 1.8 3.0 133 93 A 10 LYS H A 10 LYS HA 1.0 1.8 5.5 134 94 A 11 GLN H A 10 LYS HA 1.0 1.8 4.0 135 95 A 13 LYS HA A 13 LYS HD2 1.0 1.8 4.0 136 95 A 13 LYS HA A 13 LYS HD3 1.0 1.8 4.0 137 96 A 10 LYS HA A 10 LYS HB2 1.0 1.8 4.0 138 96 A 10 LYS HA A 10 LYS HB3 1.0 1.8 4.0 139 97 A 10 LYS HB2 A 10 LYS HD2 1.0 1.8 4.0 140 97 A 10 LYS HB3 A 10 LYS HD2 1.0 1.8 4.0 141 97 A 10 LYS HD3 A 10 LYS HB2 1.0 1.8 4.0 142 97 A 10 LYS HB3 A 10 LYS HD3 1.0 1.8 4.0 143 98 A 10 LYS H A 10 LYS HB2 1.0 1.8 5.5 144 98 A 10 LYS H A 10 LYS HB3 1.0 1.8 5.5 145 99 A 11 GLN H A 10 LYS HB2 1.0 1.8 4.0 146 99 A 11 GLN H A 10 LYS HB3 1.0 1.8 4.0 147 100 A 11 GLN HA A 11 GLN HB2 1.0 1.8 3.0 148 100 A 11 GLN HA A 11 GLN HB3 1.0 1.8 3.0 149 101 A 11 GLN HA A 11 GLN HGy 1.0 1.8 4.0 150 102 A 11 GLN H A 11 GLN HA 1.0 1.8 4.0 151 103 A 11 GLN HA A 12 ALA H 1.0 1.8 5.5 152 104 A 11 GLN HA A 11 GLN HB2 1.0 1.8 4.0 153 104 A 11 GLN HA A 11 GLN HB3 1.0 1.8 4.0 154 105 A 11 GLN HGy A 11 GLN HB2 1.0 1.8 3.0 155 105 A 11 GLN HB3 A 11 GLN HGy 1.0 1.8 3.0 156 106 A 11 GLN H A 11 GLN HB2 1.0 1.8 4.0 157 106 A 11 GLN H A 11 GLN HB3 1.0 1.8 4.0 158 107 A 9 LEU H A 11 GLN HGy 1.0 1.8 5.5 159 108 A 9 LEU H A 11 GLN HGx 1.0 1.8 5.5 160 109 A 10 LYS H A 11 GLN HGy 1.0 2.8 6.0 161 110 A 10 LYS H A 11 GLN HGx 1.0 2.8 6.0 162 111 A 11 GLN HA A 11 GLN HGy 1.0 1.8 5.5 163 112 A 11 GLN HA A 11 GLN HGx 1.0 1.8 5.5 164 113 A 11 GLN HGy A 11 GLN HB2 1.0 1.8 4.0 165 113 A 11 GLN HB3 A 11 GLN HGy 1.0 1.8 4.0 166 114 A 11 GLN HGx A 11 GLN HB2 1.0 1.8 4.0 167 114 A 11 GLN HB3 A 11 GLN HGx 1.0 1.8 4.0 168 115 A 11 GLN HGy A 11 GLN HGx 1.0 1.8 3.0 169 116 A 11 GLN H A 11 GLN HGy 1.0 1.8 5.5 170 117 A 11 GLN H A 11 GLN HGx 1.0 1.8 5.5 171 118 A 12 ALA HB% A 12 ALA HA 1.0 1.8 4.0 172 119 A 12 ALA H A 12 ALA HA 1.0 1.8 5.5 173 120 A 12 ALA HA A 15 GLU HB2 1.0 1.8 5.5 174 120 A 15 GLU HB3 A 12 ALA HA 1.0 1.8 5.5 175 121 A 12 ALA HA A 15 GLU HGx 1.0 2.8 6.0 176 122 A 33 ILE HD1% A 12 ALA HA 1.0 2.8 6.0 177 123 A 12 ALA HA A 43 TRP HD1 1.0 1.8 5.5 178 124 A 12 ALA HA A 43 TRP HE3 1.0 2.8 6.0 179 125 A 12 ALA HB% A 12 ALA HA 1.0 1.8 3.0 180 126 A 12 ALA HB% A 12 ALA H 1.0 1.8 4.0 181 127 A 12 ALA HB% A 13 LYS H 1.0 1.8 4.0 182 128 A 12 ALA HB% A 34 ALA H 1.0 2.8 6.0 183 129 A 12 ALA HB% A 39 VAL HA 1.0 2.8 6.0 184 130 A 12 ALA HB% A 42 VAL HA 1.0 1.8 5.5 185 131 A 12 ALA HB% A 42 VAL HB 1.0 1.8 5.5 186 132 A 12 ALA HB% A 42 VAL HGy% 1.0 1.8 3.0 187 133 A 12 ALA HB% A 43 TRP HD1 1.0 1.8 5.5 188 134 A 12 ALA HB% A 43 TRP HE3 1.0 2.8 6.0 189 135 A 13 LYS HA A 12 ALA H 1.0 2.8 6.0 190 136 A 13 LYS HA A 13 LYS HD2 1.0 1.8 5.5 191 136 A 13 LYS HA A 13 LYS HD3 1.0 1.8 5.5 192 137 A 13 LYS HA A 13 LYS H 1.0 1.8 5.5 193 138 A 13 LYS HA A 14 GLU H 1.0 2.8 6.0 194 139 A 13 LYS HA A 33 ILE HA 1.0 2.8 6.0 195 140 A 33 ILE HD1% A 13 LYS HA 1.0 1.8 5.5 196 141 A 13 LYS HA A 42 VAL HGy% 1.0 1.8 5.5 197 142 A 10 LYS HA A 13 LYS HB2 1.0 1.8 4.0 198 142 A 10 LYS HA A 13 LYS HB3 1.0 1.8 4.0 199 143 A 10 LYS H A 13 LYS HB2 1.0 1.8 4.0 200 143 A 10 LYS H A 13 LYS HB3 1.0 1.8 4.0 201 144 A 13 LYS HB3 A 13 LYS HD2 1.0 1.8 3.0 202 144 A 13 LYS HB2 A 13 LYS HD2 1.0 1.8 3.0 203 144 A 13 LYS HD3 A 13 LYS HB2 1.0 1.8 3.0 204 144 A 13 LYS HD3 A 13 LYS HB3 1.0 1.8 3.0 205 145 A 13 LYS H A 13 LYS HB2 1.0 1.8 4.0 206 145 A 13 LYS H A 13 LYS HB3 1.0 1.8 4.0 207 146 A 33 ILE HD1% A 13 LYS HB2 1.0 1.8 5.5 208 146 A 33 ILE HD1% A 13 LYS HB3 1.0 1.8 5.5 209 147 A 34 ALA H A 13 LYS HB2 1.0 1.8 5.5 210 147 A 34 ALA H A 13 LYS HB3 1.0 1.8 5.5 211 148 A 14 GLU HA A 13 LYS HD2 1.0 1.8 4.0 212 148 A 13 LYS HD3 A 14 GLU HA 1.0 1.8 4.0 213 149 A 14 GLU H A 14 GLU HA 1.0 1.8 4.0 214 150 A 14 GLU HA A 17 ILE H 1.0 1.8 4.0 215 151 A 14 GLU HA A 14 GLU HB2 1.0 1.8 4.0 216 151 A 14 GLU HA A 14 GLU HB3 1.0 1.8 4.0 217 152 A 14 GLU H A 14 GLU HB2 1.0 1.8 4.0 218 152 A 14 GLU H A 14 GLU HB3 1.0 1.8 4.0 219 153 A 15 GLU H A 14 GLU HB2 1.0 2.8 6.0 220 153 A 14 GLU HB3 A 15 GLU H 1.0 2.8 6.0 221 154 A 14 GLU HA A 14 GLU HG2 1.0 2.8 6.0 222 154 A 14 GLU HA A 14 GLU HG3 1.0 2.8 6.0 223 155 A 14 GLU HB3 A 14 GLU HG2 1.0 1.8 4.0 224 155 A 14 GLU HB2 A 14 GLU HG2 1.0 1.8 4.0 225 155 A 14 GLU HG3 A 14 GLU HB2 1.0 1.8 4.0 226 155 A 14 GLU HB3 A 14 GLU HG3 1.0 1.8 4.0 227 156 A 14 GLU H A 14 GLU HG2 1.0 1.8 4.0 228 156 A 14 GLU H A 14 GLU HG3 1.0 1.8 4.0 229 157 A 15 GLU H A 14 GLU HG2 1.0 1.8 4.0 230 157 A 15 GLU H A 14 GLU HG3 1.0 1.8 4.0 231 158 A 15 GLU HA A 15 GLU HB2 1.0 1.8 3.0 232 158 A 15 GLU HB3 A 15 GLU HA 1.0 1.8 3.0 233 159 A 14 GLU H A 15 GLU HB2 1.0 1.8 4.0 234 159 A 15 GLU HB3 A 14 GLU H 1.0 1.8 4.0 235 160 A 15 GLU HA A 15 GLU HB2 1.0 1.8 4.0 236 160 A 15 GLU HB3 A 15 GLU HA 1.0 1.8 4.0 237 161 A 15 GLU HGy A 15 GLU HB2 1.0 1.8 3.0 238 161 A 15 GLU HB3 A 15 GLU HGy 1.0 1.8 3.0 239 162 A 15 GLU H A 15 GLU HB2 1.0 1.8 4.0 240 162 A 15 GLU HB3 A 15 GLU H 1.0 1.8 4.0 241 163 A 14 GLU H A 15 GLU HGy 1.0 2.8 6.0 242 164 A 15 GLU HGx A 14 GLU H 1.0 2.8 6.0 243 165 A 15 GLU HA A 15 GLU HGy 1.0 1.8 4.0 244 166 A 15 GLU HGx A 15 GLU HA 1.0 1.8 5.5 245 167 A 15 GLU HGy A 15 GLU HB2 1.0 1.8 4.0 246 167 A 15 GLU HB3 A 15 GLU HGy 1.0 1.8 4.0 247 168 A 15 GLU HGx A 15 GLU HB2 1.0 1.8 4.0 248 168 A 15 GLU HB3 A 15 GLU HGx 1.0 1.8 4.0 249 169 A 15 GLU HGx A 15 GLU HGy 1.0 1.8 3.0 250 170 A 15 GLU HGx A 15 GLU HGy 1.0 1.8 3.0 251 171 A 15 GLU H A 15 GLU HGy 1.0 1.8 5.5 252 172 A 15 GLU HGx A 15 GLU H 1.0 1.8 5.5 253 173 A 15 GLU HGy A 16 ALA H 1.0 2.8 6.0 254 174 A 15 GLU HGx A 16 ALA H 1.0 2.8 6.0 255 175 A 15 GLU HGy A 43 TRP HH2 1.0 1.8 5.5 256 176 A 15 GLU HGx A 43 TRP HH2 1.0 2.8 6.0 257 177 A 16 ALA HB% A 16 ALA HA 1.0 1.8 4.0 258 178 A 16 ALA H A 16 ALA HA 1.0 1.8 5.5 259 179 A 16 ALA HA A 18 LYS H 1.0 1.8 5.5 260 180 A 16 ALA HA A 19 GLU HBy 1.0 1.8 5.5 261 181 A 33 ILE HD1% A 16 ALA HA 1.0 1.8 5.5 262 182 A 16 ALA HB% A 13 LYS HA 1.0 1.8 5.5 263 183 A 16 ALA HB% A 13 LYS H 1.0 1.8 5.5 264 184 A 16 ALA HB% A 16 ALA HA 1.0 1.8 4.0 265 185 A 16 ALA HB% A 16 ALA H 1.0 1.8 4.0 266 186 A 16 ALA HB% A 19 GLU HBy 1.0 1.8 5.5 267 187 A 33 ILE HD1% A 16 ALA HB% 1.0 1.8 3.0 268 188 A 14 GLU HA A 17 ILE HA 1.0 2.8 6.0 269 189 A 17 ILE HA A 17 ILE HB 1.0 2.8 6.0 270 190 A 17 ILE HA A 17 ILE HD1% 1.0 1.8 5.5 271 191 A 17 ILE HA A 17 ILE HG2% 1.0 2.8 6.0 272 192 A 17 ILE H A 17 ILE HA 1.0 1.8 5.5 273 193 A 18 LYS H A 17 ILE HA 1.0 2.8 6.0 274 194 A 17 ILE HA A 21 VAL H 1.0 2.8 6.0 275 195 A 17 ILE HA A 17 ILE HB 1.0 1.8 5.5 276 196 A 17 ILE HB A 17 ILE HD1% 1.0 1.8 5.5 277 197 A 17 ILE HB A 17 ILE HG2% 1.0 1.8 5.5 278 198 A 17 ILE H A 17 ILE HB 1.0 1.8 4.0 279 199 A 17 ILE HB A 18 LYS HA 1.0 1.8 5.5 280 200 A 18 LYS H A 17 ILE HB 1.0 1.8 5.5 281 201 A 18 LYS HA A 18 LYS HB2 1.0 1.8 3.0 282 201 A 18 LYS HA A 18 LYS HB3 1.0 1.8 3.0 283 202 A 18 LYS H A 18 LYS HA 1.0 1.8 4.0 284 203 A 18 LYS HA A 19 GLU H 1.0 1.8 5.5 285 204 A 18 LYS HA A 21 VAL HGx% 1.0 1.8 5.5 286 205 A 18 LYS HA A 18 LYS HB2 1.0 1.8 4.0 287 205 A 18 LYS HA A 18 LYS HB3 1.0 1.8 4.0 288 206 A 18 LYS H A 18 LYS HB2 1.0 1.8 4.0 289 206 A 18 LYS H A 18 LYS HB3 1.0 1.8 4.0 290 207 A 19 GLU H A 18 LYS HB2 1.0 1.8 4.0 291 207 A 18 LYS HB3 A 19 GLU H 1.0 1.8 4.0 292 208 A 19 GLU HBy A 19 GLU HA 1.0 1.8 4.0 293 209 A 19 GLU HA A 19 GLU HG2 1.0 1.8 5.5 294 209 A 19 GLU HA A 19 GLU HG3 1.0 1.8 5.5 295 210 A 19 GLU HA A 19 GLU HBx 1.0 1.8 3.0 296 211 A 19 GLU HBy A 19 GLU HA 1.0 1.8 4.0 297 212 A 19 GLU HBy A 19 GLU HBx 1.0 1.8 3.0 298 213 A 19 GLU HBx A 19 GLU HG2 1.0 1.8 3.0 299 213 A 19 GLU HG3 A 19 GLU HBx 1.0 1.8 3.0 300 214 A 19 GLU HBy A 19 GLU HG2 1.0 1.8 3.0 301 214 A 19 GLU HBy A 19 GLU HG3 1.0 1.8 3.0 302 215 A 19 GLU H A 19 GLU HBx 1.0 1.8 4.0 303 216 A 19 GLU HBy A 19 GLU H 1.0 1.8 4.0 304 217 A 19 GLU HBx A 20 LEU HDx% 1.0 1.8 4.0 305 218 A 19 GLU HBy A 20 LEU HDx% 1.0 1.8 4.0 306 219 A 18 LYS H A 19 GLU HG2 1.0 1.8 4.0 307 219 A 18 LYS H A 19 GLU HG3 1.0 1.8 4.0 308 220 A 19 GLU HA A 19 GLU HG2 1.0 1.8 5.5 309 220 A 19 GLU HA A 19 GLU HG3 1.0 1.8 5.5 310 221 A 19 GLU HBy A 19 GLU HG2 1.0 1.8 3.0 311 221 A 19 GLU HBy A 19 GLU HG3 1.0 1.8 3.0 312 222 A 19 GLU H A 19 GLU HG2 1.0 1.8 5.5 313 222 A 19 GLU H A 19 GLU HG3 1.0 1.8 5.5 314 223 A 20 LEU HDx% A 20 LEU HA 1.0 1.8 3.0 315 224 A 20 LEU HA A 20 LEU H 1.0 1.8 4.0 316 225 A 21 VAL HA A 21 VAL HB 1.0 2.8 6.0 317 226 A 21 VAL HA A 21 VAL HB 1.0 2.8 6.0 318 227 A 21 VAL HGx% A 21 VAL HA 1.0 1.8 3.0 319 228 A 21 VAL HGx% A 21 VAL HB 1.0 1.8 4.0 320 229 A 21 VAL H A 21 VAL HGx% 1.0 1.8 4.0 321 230 A 21 VAL HGx% A 22 ASP H 1.0 1.8 5.5 322 231 A 22 ASP H A 22 ASP HA 1.0 1.8 4.0 323 232 A 22 ASP HA A 22 ASP HBx 1.0 2.8 6.0 324 233 A 22 ASP HA A 22 ASP HBy 1.0 1.8 5.5 325 234 A 22 ASP H A 22 ASP HBx 1.0 1.8 5.5 326 235 A 22 ASP H A 22 ASP HBy 1.0 1.8 4.0 327 236 A 22 ASP HBx A 23 ALA HB% 1.0 1.8 5.5 328 237 A 22 ASP HBy A 23 ALA HB% 1.0 1.8 5.5 329 238 A 22 ASP HBx A 23 ALA H 1.0 1.8 5.5 330 239 A 22 ASP HBy A 23 ALA H 1.0 2.8 6.0 331 240 A 23 ALA HB% A 23 ALA HA 1.0 1.8 4.0 332 241 A 20 LEU HA A 23 ALA HB% 1.0 1.8 4.0 333 242 A 23 ALA HB% A 23 ALA HA 1.0 1.8 3.0 334 243 A 23 ALA HB% A 24 GLY H 1.0 1.8 4.0 335 244 A 24 GLY HAy A 24 GLY HAx 1.0 1.8 4.0 336 245 A 24 GLY HAy A 24 GLY HAx 1.0 1.8 3.0 337 246 A 24 GLY H A 24 GLY HAx 1.0 1.8 4.0 338 247 A 24 GLY H A 24 GLY HAy 1.0 1.8 4.0 339 248 A 24 GLY HAx A 25 THR HG2% 1.0 2.8 6.0 340 249 A 24 GLY HAy A 25 THR HG2% 1.0 2.8 6.0 341 250 A 24 GLY HAx A 25 THR H 1.0 2.8 6.0 342 251 A 24 GLY HAy A 25 THR H 1.0 1.8 5.5 343 252 A 25 THR HG2% A 25 THR HA 1.0 1.8 4.0 344 253 A 25 THR H A 25 THR HA 1.0 1.8 5.5 345 254 A 25 THR HA A 26 ALA H 1.0 1.8 4.0 346 255 A 25 THR HA A 49 ILE HA 1.0 1.8 5.5 347 256 A 25 THR HA A 52 PHE HE% 1.0 2.8 6.0 348 257 A 25 THR HG2% A 25 THR HB 1.0 1.8 5.5 349 258 A 25 THR H A 25 THR HB 1.0 1.8 5.5 350 259 A 26 ALA H A 25 THR HB 1.0 2.8 6.0 351 260 A 52 PHE HE% A 25 THR HB 1.0 2.8 6.0 352 261 A 26 ALA HB% A 26 ALA HA 1.0 1.8 4.0 353 262 A 26 ALA H A 26 ALA HA 1.0 1.8 4.0 354 263 A 26 ALA HA A 27 GLU H 1.0 1.8 3.0 355 264 A 26 ALA HB% A 26 ALA HA 1.0 1.8 3.0 356 265 A 26 ALA HB% A 26 ALA H 1.0 1.8 4.0 357 266 A 26 ALA HB% A 27 GLU HA 1.0 2.8 6.0 358 267 A 26 ALA HB% A 27 GLU H 1.0 1.8 4.0 359 268 A 27 GLU HA A 27 GLU HB2 1.0 1.8 5.5 360 268 A 27 GLU HA A 27 GLU HB3 1.0 1.8 5.5 361 269 A 27 GLU HA A 27 GLU HG2 1.0 2.8 6.0 362 269 A 27 GLU HA A 27 GLU HG3 1.0 2.8 6.0 363 270 A 27 GLU H A 27 GLU HA 1.0 2.8 6.0 364 271 A 27 GLU HA A 30 PHE HD% 1.0 2.8 6.0 365 272 A 27 GLU HB2 A 27 GLU HG2 1.0 1.8 4.0 366 272 A 27 GLU HB3 A 27 GLU HG2 1.0 1.8 4.0 367 272 A 27 GLU HG3 A 27 GLU HB2 1.0 1.8 4.0 368 272 A 27 GLU HB3 A 27 GLU HG3 1.0 1.8 4.0 369 273 A 27 GLU H A 27 GLU HB2 1.0 1.8 4.0 370 273 A 27 GLU H A 27 GLU HB3 1.0 1.8 4.0 371 274 A 30 PHE HD% A 27 GLU HB2 1.0 2.8 6.0 372 274 A 27 GLU HB3 A 30 PHE HD% 1.0 2.8 6.0 373 275 A 27 GLU HA A 27 GLU HG2 1.0 1.8 5.5 374 275 A 27 GLU HA A 27 GLU HG3 1.0 1.8 5.5 375 276 A 27 GLU HB2 A 27 GLU HG2 1.0 1.8 4.0 376 276 A 27 GLU HB3 A 27 GLU HG2 1.0 1.8 4.0 377 276 A 27 GLU HG3 A 27 GLU HB2 1.0 1.8 4.0 378 276 A 27 GLU HB3 A 27 GLU HG3 1.0 1.8 4.0 379 277 A 27 GLU H A 27 GLU HG2 1.0 1.8 5.5 380 277 A 27 GLU H A 27 GLU HG3 1.0 1.8 5.5 381 278 A 30 PHE HD% A 27 GLU HG2 1.0 1.8 5.5 382 278 A 27 GLU HG3 A 30 PHE HD% 1.0 1.8 5.5 383 279 A 28 LYS HA A 28 LYS HD2 1.0 1.8 3.0 384 279 A 28 LYS HA A 28 LYS HD3 1.0 1.8 3.0 385 280 A 28 LYS HA A 28 LYS H 1.0 1.8 4.0 386 281 A 28 LYS HA A 29 TYR H 1.0 2.8 6.0 387 282 A 28 LYS HB2 A 28 LYS HD2 1.0 1.8 5.5 388 282 A 28 LYS HB3 A 28 LYS HD2 1.0 1.8 5.5 389 282 A 28 LYS HD3 A 28 LYS HB2 1.0 1.8 5.5 390 282 A 28 LYS HD3 A 28 LYS HB3 1.0 1.8 5.5 391 283 A 29 TYR HA A 29 TYR HBx 1.0 1.8 5.5 392 284 A 29 TYR HA A 29 TYR HBy 1.0 1.8 5.5 393 285 A 29 TYR HA A 29 TYR H 1.0 1.8 5.5 394 286 A 29 TYR HA A 32 LEU HBy 1.0 1.8 5.5 395 287 A 16 ALA HB% A 29 TYR HBx 1.0 2.8 6.0 396 288 A 16 ALA HB% A 29 TYR HBy 1.0 2.8 6.0 397 289 A 29 TYR HA A 29 TYR HBx 1.0 1.8 5.5 398 290 A 29 TYR HA A 29 TYR HBy 1.0 1.8 4.0 399 291 A 29 TYR HBx A 29 TYR HBy 1.0 1.8 4.0 400 292 A 29 TYR HBx A 29 TYR HBy 1.0 1.8 4.0 401 293 A 29 TYR HBy A 29 TYR HD% 1.0 1.8 5.5 402 294 A 29 TYR HE% A 29 TYR HBx 1.0 2.8 6.0 403 295 A 29 TYR HE% A 29 TYR HBy 1.0 2.8 6.0 404 296 A 29 TYR H A 29 TYR HBx 1.0 1.8 5.5 405 297 A 29 TYR HBx A 30 PHE H 1.0 2.8 6.0 406 298 A 29 TYR HBy A 30 PHE H 1.0 1.8 5.5 407 299 A 29 TYR HBx A 33 ILE HG12 1.0 1.8 5.5 408 299 A 29 TYR HBx A 33 ILE HG13 1.0 1.8 5.5 409 300 A 29 TYR HBy A 33 ILE HG12 1.0 1.8 5.5 410 300 A 29 TYR HBy A 33 ILE HG13 1.0 1.8 5.5 411 301 A 29 TYR HBx A 49 ILE HD1% 1.0 1.8 5.5 412 302 A 29 TYR HBy A 49 ILE HD1% 1.0 1.8 5.5 413 303 A 30 PHE HA A 30 PHE HB2 1.0 1.8 4.0 414 303 A 30 PHE HA A 30 PHE HB3 1.0 1.8 4.0 415 304 A 30 PHE HD% A 30 PHE HA 1.0 1.8 4.0 416 305 A 30 PHE HA A 31 LYS H 1.0 1.8 4.0 417 306 A 27 GLU HA A 30 PHE HB2 1.0 1.8 5.5 418 306 A 27 GLU HA A 30 PHE HB3 1.0 1.8 5.5 419 307 A 31 LYS HA A 31 LYS HB2 1.0 1.8 3.0 420 307 A 31 LYS HA A 31 LYS HB3 1.0 1.8 3.0 421 308 A 31 LYS HA A 31 LYS HG2 1.0 1.8 4.0 422 308 A 31 LYS HA A 31 LYS HG3 1.0 1.8 4.0 423 309 A 31 LYS H A 31 LYS HA 1.0 1.8 4.0 424 310 A 31 LYS HA A 32 LEU H 1.0 2.8 6.0 425 311 A 31 LYS HA A 31 LYS HB2 1.0 1.8 4.0 426 311 A 31 LYS HA A 31 LYS HB3 1.0 1.8 4.0 427 312 A 31 LYS HB2 A 31 LYS HG2 1.0 1.8 3.0 428 312 A 31 LYS HB3 A 31 LYS HG2 1.0 1.8 3.0 429 312 A 31 LYS HG3 A 31 LYS HB2 1.0 1.8 3.0 430 312 A 31 LYS HB3 A 31 LYS HG3 1.0 1.8 3.0 431 313 A 31 LYS H A 31 LYS HB2 1.0 1.8 4.0 432 313 A 31 LYS H A 31 LYS HB3 1.0 1.8 4.0 433 314 A 35 ASN HBx A 31 LYS HB2 1.0 1.8 5.5 434 314 A 31 LYS HB3 A 35 ASN HBx 1.0 1.8 5.5 435 315 A 30 PHE HD% A 31 LYS HG2 1.0 2.8 6.0 436 315 A 30 PHE HD% A 31 LYS HG3 1.0 2.8 6.0 437 316 A 31 LYS HA A 31 LYS HG2 1.0 1.8 5.5 438 316 A 31 LYS HA A 31 LYS HG3 1.0 1.8 5.5 439 317 A 31 LYS H A 31 LYS HG2 1.0 1.8 5.5 440 317 A 31 LYS H A 31 LYS HG3 1.0 1.8 5.5 441 318 A 32 LEU HBy A 32 LEU HA 1.0 1.8 3.0 442 319 A 32 LEU H A 32 LEU HA 1.0 2.8 6.0 443 320 A 32 LEU HBy A 31 LYS H 1.0 1.8 4.0 444 321 A 32 LEU HA A 32 LEU HBx 1.0 1.8 5.5 445 322 A 32 LEU HBy A 32 LEU HA 1.0 1.8 4.0 446 323 A 32 LEU HBy A 32 LEU HBx 1.0 1.8 5.5 447 324 A 32 LEU HBy A 32 LEU HBx 1.0 1.8 4.0 448 325 A 32 LEU HBx A 32 LEU HDx% 1.0 1.8 4.0 449 326 A 32 LEU HBy A 32 LEU HDx% 1.0 1.8 3.0 450 327 A 32 LEU HG A 32 LEU HBx 1.0 1.8 5.5 451 328 A 32 LEU HG A 32 LEU HBy 1.0 1.8 5.5 452 329 A 32 LEU H A 32 LEU HBx 1.0 1.8 5.5 453 330 A 32 LEU HBy A 32 LEU H 1.0 1.8 5.5 454 331 A 33 ILE HA A 33 ILE HB 1.0 1.8 5.5 455 332 A 33 ILE HD1% A 33 ILE HB 1.0 1.8 5.5 456 333 A 33 ILE HB A 33 ILE HG12 1.0 1.8 5.5 457 333 A 33 ILE HG13 A 33 ILE HB 1.0 1.8 5.5 458 334 A 33 ILE HB A 33 ILE H 1.0 1.8 5.5 459 335 A 34 ALA HB% A 34 ALA HA 1.0 1.8 4.0 460 336 A 34 ALA H A 34 ALA HA 1.0 1.8 4.0 461 337 A 34 ALA HB% A 30 PHE HB2 1.0 1.8 4.0 462 337 A 34 ALA HB% A 30 PHE HB3 1.0 1.8 4.0 463 338 A 34 ALA HB% A 34 ALA HA 1.0 1.8 4.0 464 339 A 34 ALA HB% A 34 ALA H 1.0 1.8 4.0 465 340 A 34 ALA HB% A 35 ASN HA 1.0 1.8 5.5 466 341 A 34 ALA HB% A 35 ASN H 1.0 1.8 3.0 467 342 A 34 ALA HB% A 35 ASN HA 1.0 1.8 4.0 468 343 A 35 ASN HBx A 35 ASN HA 1.0 1.8 4.0 469 344 A 35 ASN HA A 35 ASN HBy 1.0 1.8 4.0 470 345 A 35 ASN HA A 35 ASN H 1.0 1.8 4.0 471 346 A 35 ASN HBx A 35 ASN HA 1.0 1.8 4.0 472 347 A 35 ASN HA A 35 ASN HBy 1.0 1.8 4.0 473 348 A 35 ASN HBx A 35 ASN HBy 1.0 1.8 3.0 474 349 A 35 ASN HBx A 35 ASN HBy 1.0 1.8 3.0 475 350 A 35 ASN HBx A 35 ASN H 1.0 1.8 4.0 476 351 A 35 ASN H A 35 ASN HBy 1.0 1.8 4.0 477 352 A 35 ASN HBx A 36 ALA HB% 1.0 2.8 6.0 478 353 A 36 ALA HB% A 36 ALA HA 1.0 1.8 3.0 479 354 A 36 ALA HA A 36 ALA H 1.0 1.8 4.0 480 355 A 9 LEU HDx% A 36 ALA HB% 1.0 1.8 4.0 481 356 A 33 ILE HA A 36 ALA HB% 1.0 2.8 6.0 482 357 A 33 ILE H A 36 ALA HB% 1.0 1.8 5.5 483 358 A 35 ASN HA A 36 ALA HB% 1.0 2.8 6.0 484 359 A 36 ALA HB% A 36 ALA HA 1.0 1.8 3.0 485 360 A 36 ALA HB% A 36 ALA H 1.0 1.8 3.0 486 361 A 36 ALA HB% A 37 LYS H 1.0 1.8 5.5 487 362 A 41 GLY H A 36 ALA HB% 1.0 2.8 6.0 488 363 A 42 VAL HGy% A 36 ALA HB% 1.0 1.8 3.0 489 364 A 37 LYS HA A 9 LEU HB2 1.0 1.8 4.0 490 364 A 9 LEU HB3 A 37 LYS HA 1.0 1.8 4.0 491 365 A 37 LYS HA A 37 LYS HBx 1.0 1.8 4.0 492 366 A 37 LYS HA A 37 LYS HBy 1.0 1.8 4.0 493 367 A 37 LYS HA A 37 LYS HG2 1.0 1.8 4.0 494 367 A 37 LYS HA A 37 LYS HG3 1.0 1.8 4.0 495 368 A 37 LYS H A 37 LYS HA 1.0 1.8 5.5 496 369 A 38 THR H A 37 LYS HA 1.0 1.8 5.5 497 370 A 37 LYS HA A 37 LYS HBx 1.0 1.8 5.5 498 371 A 37 LYS HA A 37 LYS HBy 1.0 1.8 5.5 499 372 A 37 LYS HBx A 37 LYS HBy 1.0 1.8 3.0 500 373 A 37 LYS HBx A 37 LYS HBy 1.0 1.8 4.0 501 374 A 37 LYS HBx A 37 LYS HG2 1.0 1.8 5.5 502 374 A 37 LYS HBx A 37 LYS HG3 1.0 1.8 5.5 503 375 A 37 LYS HBy A 37 LYS HG2 1.0 1.8 5.5 504 375 A 37 LYS HBy A 37 LYS HG3 1.0 1.8 5.5 505 376 A 37 LYS H A 37 LYS HBx 1.0 2.8 6.0 506 377 A 37 LYS H A 37 LYS HBy 1.0 1.8 5.5 507 378 A 37 LYS HBx A 38 THR HG2% 1.0 2.8 6.0 508 379 A 37 LYS HBy A 38 THR HG2% 1.0 2.8 6.0 509 380 A 38 THR H A 37 LYS HBx 1.0 2.8 6.0 510 381 A 38 THR H A 37 LYS HBy 1.0 2.8 6.0 511 382 A 37 LYS HBy A 37 LYS HG2 1.0 1.8 5.5 512 382 A 37 LYS HBy A 37 LYS HG3 1.0 1.8 5.5 513 383 A 38 THR HA A 38 THR HB 1.0 1.8 4.0 514 384 A 38 THR HA A 38 THR HG2% 1.0 1.8 4.0 515 385 A 38 THR HA A 39 VAL H 1.0 1.8 4.0 516 386 A 38 THR HA A 38 THR HB 1.0 1.8 4.0 517 387 A 38 THR HG2% A 38 THR HB 1.0 1.8 4.0 518 388 A 38 THR HB A 39 VAL H 1.0 1.8 5.5 519 389 A 38 THR HA A 38 THR HG2% 1.0 1.8 4.0 520 390 A 38 THR HG2% A 38 THR HB 1.0 1.8 4.0 521 391 A 38 THR H A 38 THR HG2% 1.0 1.8 5.5 522 392 A 9 LEU HDx% A 39 VAL HA 1.0 1.8 5.5 523 393 A 12 ALA HA A 39 VAL HA 1.0 2.8 6.0 524 394 A 12 ALA HB% A 39 VAL HA 1.0 1.8 5.5 525 395 A 39 VAL HA A 39 VAL HB 1.0 1.8 5.5 526 396 A 39 VAL HGx% A 39 VAL HA 1.0 1.8 4.0 527 397 A 39 VAL HA A 39 VAL H 1.0 1.8 5.5 528 398 A 39 VAL HA A 41 GLY HAx 1.0 2.8 6.0 529 399 A 39 VAL HA A 42 VAL H 1.0 2.8 6.0 530 400 A 39 VAL HA A 39 VAL HB 1.0 1.8 5.5 531 401 A 39 VAL HGx% A 39 VAL HB 1.0 1.8 4.0 532 402 A 39 VAL H A 39 VAL HB 1.0 1.8 4.0 533 403 A 40 GLU HA A 40 GLU HB2 1.0 1.8 4.0 534 403 A 40 GLU HA A 40 GLU HB3 1.0 1.8 4.0 535 404 A 40 GLU HA A 40 GLU HG2 1.0 1.8 5.5 536 404 A 40 GLU HG3 A 40 GLU HA 1.0 1.8 5.5 537 405 A 40 GLU HA A 40 GLU H 1.0 1.8 4.0 538 406 A 40 GLU HA A 43 TRP HBy 1.0 2.8 6.0 539 407 A 43 TRP HD1 A 40 GLU HA 1.0 2.8 6.0 540 408 A 40 GLU HA A 44 THR H 1.0 2.8 6.0 541 409 A 40 GLU HA A 40 GLU HB2 1.0 1.8 4.0 542 409 A 40 GLU HA A 40 GLU HB3 1.0 1.8 4.0 543 410 A 40 GLU HB2 A 40 GLU HG2 1.0 1.8 4.0 544 410 A 40 GLU HB3 A 40 GLU HG2 1.0 1.8 4.0 545 410 A 40 GLU HG3 A 40 GLU HB2 1.0 1.8 4.0 546 410 A 40 GLU HG3 A 40 GLU HB3 1.0 1.8 4.0 547 411 A 40 GLU H A 40 GLU HB2 1.0 1.8 4.0 548 411 A 40 GLU HB3 A 40 GLU H 1.0 1.8 4.0 549 412 A 41 GLY H A 40 GLU HB2 1.0 2.8 6.0 550 412 A 41 GLY H A 40 GLU HB3 1.0 2.8 6.0 551 413 A 39 VAL HGx% A 40 GLU HG2 1.0 1.8 5.5 552 413 A 40 GLU HG3 A 39 VAL HGx% 1.0 1.8 5.5 553 414 A 40 GLU HA A 40 GLU HG2 1.0 1.8 5.5 554 414 A 40 GLU HG3 A 40 GLU HA 1.0 1.8 5.5 555 415 A 40 GLU HB2 A 40 GLU HG2 1.0 1.8 3.0 556 415 A 40 GLU HB3 A 40 GLU HG2 1.0 1.8 3.0 557 415 A 40 GLU HG3 A 40 GLU HB2 1.0 1.8 3.0 558 415 A 40 GLU HG3 A 40 GLU HB3 1.0 1.8 3.0 559 416 A 43 TRP HD1 A 40 GLU HG2 1.0 2.8 6.0 560 416 A 40 GLU HG3 A 43 TRP HD1 1.0 2.8 6.0 561 417 A 12 ALA HB% A 41 GLY HAx 1.0 2.8 6.0 562 418 A 33 ILE HD1% A 41 GLY HAx 1.0 3.8 7.0 563 419 A 36 ALA HA A 41 GLY HAx 1.0 1.8 5.5 564 420 A 41 GLY HAx A 40 GLU HB2 1.0 2.8 6.0 565 420 A 41 GLY HAx A 40 GLU HB3 1.0 2.8 6.0 566 421 A 41 GLY HAx A 40 GLU H 1.0 2.8 6.0 567 422 A 41 GLY H A 41 GLY HAx 1.0 1.8 5.5 568 423 A 41 GLY HAx A 42 VAL H 1.0 1.8 5.5 569 424 A 41 GLY H A 42 VAL HA 1.0 1.8 5.5 570 425 A 42 VAL HB A 42 VAL HA 1.0 1.8 5.5 571 426 A 42 VAL HA A 42 VAL HGy% 1.0 1.8 3.0 572 427 A 43 TRP HA A 43 TRP HBx 1.0 2.8 6.0 573 428 A 40 GLU HA A 43 TRP HBx 1.0 2.8 6.0 574 429 A 40 GLU HA A 43 TRP HBy 1.0 2.8 6.0 575 430 A 43 TRP HBx A 40 GLU HB2 1.0 2.8 6.0 576 430 A 40 GLU HB3 A 43 TRP HBx 1.0 2.8 6.0 577 431 A 43 TRP HBy A 40 GLU HB2 1.0 2.8 6.0 578 431 A 40 GLU HB3 A 43 TRP HBy 1.0 2.8 6.0 579 432 A 43 TRP HA A 43 TRP HBx 1.0 1.3 5.0 580 433 A 43 TRP HBy A 43 TRP HA 1.0 1.8 5.5 581 434 A 43 TRP HD1 A 43 TRP HBx 1.0 1.8 5.5 582 435 A 43 TRP HD1 A 43 TRP HBy 1.0 2.8 6.0 583 436 A 43 TRP HE3 A 43 TRP HBx 1.0 1.8 5.5 584 437 A 43 TRP HE3 A 43 TRP HBy 1.0 1.8 5.5 585 438 A 43 TRP H A 43 TRP HBx 1.0 1.8 5.5 586 439 A 43 TRP H A 43 TRP HBy 1.0 1.8 5.5 587 440 A 44 THR H A 43 TRP HBx 1.0 1.8 5.5 588 441 A 43 TRP HBy A 44 THR H 1.0 2.8 6.0 589 442 A 43 TRP H A 44 THR HA 1.0 2.8 6.0 590 443 A 44 THR HA A 44 THR HB 1.0 1.8 3.0 591 444 A 44 THR HG2% A 44 THR HA 1.0 1.8 4.0 592 445 A 44 THR H A 44 THR HA 1.0 1.8 5.5 593 446 A 44 THR HA A 45 LEU H 1.0 2.8 6.0 594 447 A 44 THR HA A 47 ASP HB2 1.0 2.8 6.0 595 447 A 44 THR HA A 47 ASP HB3 1.0 2.8 6.0 596 448 A 44 THR HA A 44 THR HB 1.0 1.8 5.5 597 449 A 44 THR HG2% A 44 THR HB 1.0 1.8 4.0 598 450 A 44 THR HB A 47 ASP H 1.0 1.8 5.5 599 451 A 44 THR HG2% A 42 VAL H 1.0 2.8 6.0 600 452 A 44 THR HG2% A 44 THR HA 1.0 1.8 4.0 601 453 A 44 THR HG2% A 44 THR HB 1.0 1.8 5.5 602 454 A 44 THR HG2% A 44 THR H 1.0 1.8 5.5 603 455 A 45 LEU HA A 45 LEU HB2 1.0 1.8 3.0 604 455 A 45 LEU HA A 45 LEU HB3 1.0 1.8 3.0 605 456 A 45 LEU HA A 45 LEU HDx% 1.0 1.8 3.0 606 457 A 45 LEU HA A 45 LEU HG 1.0 1.8 3.0 607 458 A 45 LEU H A 45 LEU HA 1.0 1.8 4.0 608 459 A 45 LEU HA A 46 LYS H 1.0 2.8 6.0 609 460 A 45 LEU HA A 45 LEU HB2 1.0 1.8 5.5 610 460 A 45 LEU HA A 45 LEU HB3 1.0 1.8 5.5 611 461 A 45 LEU HDx% A 45 LEU HB2 1.0 1.8 4.0 612 461 A 45 LEU HB3 A 45 LEU HDx% 1.0 1.8 4.0 613 462 A 45 LEU HG A 45 LEU HB2 1.0 1.8 4.0 614 462 A 45 LEU HB3 A 45 LEU HG 1.0 1.8 4.0 615 463 A 45 LEU H A 45 LEU HB2 1.0 1.8 5.5 616 463 A 45 LEU H A 45 LEU HB3 1.0 1.8 5.5 617 464 A 46 LYS H A 45 LEU HB2 1.0 1.8 5.5 618 464 A 45 LEU HB3 A 46 LYS H 1.0 1.8 5.5 619 465 A 45 LEU HG A 45 LEU HB2 1.0 1.8 4.0 620 465 A 45 LEU HB3 A 45 LEU HG 1.0 1.8 4.0 621 466 A 45 LEU HDx% A 45 LEU HG 1.0 1.8 3.0 622 467 A 46 LYS HA A 46 LYS HB2 1.0 1.8 5.5 623 467 A 46 LYS HA A 46 LYS HB3 1.0 1.8 5.5 624 468 A 46 LYS HA A 46 LYS HG2 1.0 1.8 5.5 625 468 A 46 LYS HA A 46 LYS HG3 1.0 1.8 5.5 626 469 A 46 LYS H A 46 LYS HA 1.0 1.8 5.5 627 470 A 47 ASP H A 46 LYS HA 1.0 2.8 6.0 628 471 A 46 LYS HA A 49 ILE HB 1.0 1.8 5.5 629 472 A 46 LYS HB2 A 46 LYS HG2 1.0 1.8 5.5 630 472 A 46 LYS HB3 A 46 LYS HG2 1.0 1.8 5.5 631 472 A 46 LYS HG3 A 46 LYS HB2 1.0 1.8 5.5 632 472 A 46 LYS HB3 A 46 LYS HG3 1.0 1.8 5.5 633 473 A 47 ASP HA A 47 ASP HB2 1.0 1.8 4.0 634 473 A 47 ASP HB3 A 47 ASP HA 1.0 1.8 4.0 635 474 A 47 ASP H A 47 ASP HB2 1.0 1.8 4.0 636 474 A 47 ASP HB3 A 47 ASP H 1.0 1.8 4.0 637 475 A 48 GLU HA A 48 GLU HB2 1.0 1.8 4.0 638 475 A 48 GLU HA A 48 GLU HB3 1.0 1.8 4.0 639 476 A 48 GLU HA A 48 GLU H 1.0 1.8 4.0 640 477 A 48 GLU HA A 48 GLU HB2 1.0 1.8 5.5 641 477 A 48 GLU HA A 48 GLU HB3 1.0 1.8 5.5 642 478 A 48 GLU H A 48 GLU HB2 1.0 1.8 5.5 643 478 A 48 GLU HB3 A 48 GLU H 1.0 1.8 5.5 644 479 A 29 TYR HBy A 49 ILE HB 1.0 2.8 6.0 645 480 A 49 ILE HA A 49 ILE HB 1.0 1.8 5.5 646 481 A 49 ILE HD1% A 49 ILE HB 1.0 1.8 4.0 647 482 A 49 ILE HB A 49 ILE H 1.0 1.8 4.0 648 483 A 49 ILE HB A 50 LYS H 1.0 1.8 5.5 649 484 A 50 LYS HA A 50 LYS HB2 1.0 1.8 3.0 650 484 A 50 LYS HA A 50 LYS HB3 1.0 1.8 3.0 651 485 A 50 LYS H A 50 LYS HA 1.0 1.8 4.0 652 486 A 50 LYS HA A 50 LYS HB2 1.0 1.8 4.0 653 486 A 50 LYS HA A 50 LYS HB3 1.0 1.8 4.0 654 487 A 50 LYS HB3 A 50 LYS HE2 1.0 2.8 6.0 655 487 A 50 LYS HB2 A 50 LYS HE2 1.0 2.8 6.0 656 487 A 50 LYS HE3 A 50 LYS HB2 1.0 2.8 6.0 657 487 A 50 LYS HB3 A 50 LYS HE3 1.0 2.8 6.0 658 488 A 50 LYS H A 50 LYS HB2 1.0 1.8 4.0 659 488 A 50 LYS H A 50 LYS HB3 1.0 1.8 4.0 660 489 A 51 THR HA A 51 THR HB 1.0 2.8 6.0 661 490 A 51 THR HA A 51 THR HG2% 1.0 1.8 4.0 662 491 A 51 THR HA A 53 THR H 1.0 1.8 4.0 663 492 A 51 THR HA A 51 THR HB 1.0 1.8 4.0 664 493 A 51 THR HB A 51 THR HG2% 1.0 1.8 3.0 665 494 A 52 PHE HA A 52 PHE HBx 1.0 1.8 4.0 666 495 A 52 PHE HA A 52 PHE HD% 1.0 1.8 4.0 667 496 A 52 PHE HA A 52 PHE H 1.0 1.8 5.5 668 497 A 53 THR H A 52 PHE HA 1.0 1.8 4.0 669 498 A 52 PHE HA A 52 PHE HBx 1.0 1.8 5.5 670 499 A 52 PHE HA A 52 PHE HBy 1.0 1.8 5.5 671 500 A 52 PHE HBx A 52 PHE HD% 1.0 1.8 5.5 672 501 A 52 PHE HD% A 52 PHE HBy 1.0 1.8 5.5 673 502 A 52 PHE HE% A 52 PHE HBx 1.0 2.8 6.0 674 503 A 52 PHE HE% A 52 PHE HBy 1.0 2.8 6.0 675 504 A 52 PHE HBx A 52 PHE H 1.0 1.8 5.5 676 505 A 52 PHE H A 52 PHE HBy 1.0 1.8 5.5 677 506 A 53 THR H A 52 PHE HBx 1.0 2.8 6.0 678 507 A 53 THR H A 52 PHE HBy 1.0 2.8 6.0 679 508 A 52 PHE H A 53 THR HA 1.0 1.8 5.5 680 509 A 53 THR HA A 53 THR HB 1.0 1.8 5.5 681 510 A 53 THR HA A 53 THR HG2% 1.0 2.8 6.0 682 511 A 53 THR H A 53 THR HA 1.0 1.8 4.0 683 512 A 52 PHE H A 53 THR HB 1.0 1.8 5.5 684 513 A 53 THR HA A 53 THR HB 1.0 2.8 6.0 685 514 A 53 THR HB A 53 THR HG2% 1.0 1.8 4.0 686 515 A 54 VAL HA A 54 VAL H 1.0 1.8 3.0 687 516 A 54 VAL HB A 54 VAL HGx% 1.0 1.8 4.0 688 517 A 54 VAL H A 54 VAL HB 1.0 2.8 6.0 689 518 A 54 VAL HA A 54 VAL HGx% 1.0 1.8 4.0 690 519 A 54 VAL HB A 54 VAL HGx% 1.0 1.8 3.0 691 520 A 54 VAL H A 54 VAL HGx% 1.0 1.8 4.0 692 521 A 55 THR HA A 55 THR HB 1.0 2.8 6.0 693 522 A 55 THR HA A 55 THR HG2% 1.0 1.8 5.5 694 523 A 55 THR HA A 55 THR HB 1.0 1.8 5.5 695 524 A 55 THR HB A 55 THR HG2% 1.0 1.8 3.0 696 525 A 55 THR HB A 55 THR H 1.0 1.8 4.0 697 526 A 17 ILE HA A 30 PHE HD% 1.0 2.8 6.0 698 527 A 43 TRP HD1 A 42 VAL HGy% 1.0 1.8 5.5 699 528 A 25 THR HA A 29 TYR HD% 1.0 1.8 5.5 700 529 A 29 TYR HE% A 25 THR HG2% 1.0 1.8 5.5 701 530 A 3 TYR HE% A 3 TYR HB2 1.0 1.8 5.5 702 530 A 3 TYR HB3 A 3 TYR HE% 1.0 1.8 5.5 703 531 A 29 TYR HA A 29 TYR HD% 1.0 1.8 5.5 704 532 A 29 TYR HBx A 29 TYR HD% 1.0 1.8 5.5 705 533 A 29 TYR HD% A 49 ILE HD1% 1.0 2.8 6.0 706 534 A 29 TYR HE% A 29 TYR HBx 1.0 2.8 6.0 707 535 A 43 TRP HD1 A 15 GLU HB2 1.0 1.8 5.5 708 535 A 15 GLU HB3 A 43 TRP HD1 1.0 1.8 5.5 709 536 A 15 GLU HGx A 43 TRP HD1 1.0 2.8 6.0 710 537 A 43 TRP HD1 A 43 TRP HBx 1.0 1.8 4.0 711 538 A 12 ALA HA A 43 TRP HE3 1.0 2.8 6.0 712 539 A 43 TRP HE3 A 15 GLU HB2 1.0 2.8 6.0 713 539 A 15 GLU HB3 A 43 TRP HE3 1.0 2.8 6.0 714 540 A 43 TRP HE3 A 43 TRP HA 1.0 1.8 5.5 715 541 A 43 TRP HE3 A 43 TRP HBx 1.0 1.8 5.5 716 542 A 12 ALA HA A 43 TRP HH2 1.0 2.8 6.0 717 543 A 12 ALA HB% A 43 TRP HH2 1.0 3.8 7.0 718 544 A 15 GLU HGy A 43 TRP HH2 1.0 2.8 6.0 719 545 A 15 GLU HGy A 43 TRP HZ2 1.0 2.8 6.0 720 546 A 15 GLU HA A 43 TRP HZ3 1.0 1.8 5.5 721 547 A 15 GLU HGy A 43 TRP HZ3 1.0 1.8 5.5 722 548 A 15 GLU HGx A 43 TRP HZ3 1.0 2.8 6.0 723 549 A 52 PHE HA A 52 PHE HD% 1.0 1.8 5.5 724 550 A 52 PHE HBx A 52 PHE HD% 1.0 1.8 5.5 725 551 A 52 PHE HE% A 52 PHE HA 1.0 2.8 6.0 726 552 A 52 PHE HE% A 52 PHE HBy 1.0 1.8 5.5 727 553 A 2 THR HA A 2 THR H 1.0 1.8 3.0 728 554 A 2 THR HB A 2 THR H 1.0 1.8 4.0 729 555 A 2 THR H A 2 THR HG2% 1.0 2.8 6.0 730 555 A 2 THR HG1 A 2 THR H 1.0 2.8 6.0 731 556 A 3 TYR HA A 3 TYR H 1.0 1.8 3.0 732 557 A 3 TYR H A 3 TYR HB2 1.0 1.8 3.0 733 557 A 3 TYR HB3 A 3 TYR H 1.0 1.8 3.0 734 558 A 4 LYS HA A 4 LYS H 1.0 1.8 3.0 735 559 A 4 LYS H A 4 LYS HB2 1.0 1.8 3.0 736 559 A 4 LYS HB3 A 4 LYS H 1.0 1.8 3.0 737 560 A 4 LYS H A 4 LYS HG2 1.0 1.8 3.0 738 560 A 4 LYS HG3 A 4 LYS H 1.0 1.8 3.0 739 561 A 5 LEU HA A 5 LEU H 1.0 1.8 3.0 740 562 A 5 LEU H A 5 LEU HB2 1.0 1.8 3.0 741 562 A 5 LEU HB3 A 5 LEU H 1.0 1.8 3.0 742 563 A 5 LEU HDx% A 5 LEU H 1.0 1.8 4.0 743 564 A 5 LEU H A 5 LEU HG 1.0 1.8 3.0 744 565 A 6 ILE HA A 6 ILE H 1.0 1.8 4.0 745 566 A 6 ILE HB A 6 ILE H 1.0 1.8 3.0 746 567 A 6 ILE HD1% A 6 ILE H 1.0 1.8 4.0 747 568 A 6 ILE H A 6 ILE HG12 1.0 1.8 4.0 748 568 A 6 ILE HG13 A 6 ILE H 1.0 1.8 4.0 749 569 A 6 ILE HA A 7 LEU H 1.0 1.8 3.0 750 570 A 7 LEU HA A 7 LEU H 1.0 1.8 4.0 751 571 A 7 LEU H A 7 LEU HB2 1.0 1.8 3.0 752 571 A 7 LEU HB3 A 7 LEU H 1.0 1.8 3.0 753 572 A 7 LEU HDx% A 7 LEU H 1.0 1.8 4.0 754 573 A 7 LEU HG A 7 LEU H 1.0 1.8 3.0 755 574 A 7 LEU HA A 8 ASN H 1.0 1.8 3.0 756 575 A 8 ASN HA A 8 ASN H 1.0 1.8 5.5 757 576 A 8 ASN HBx A 8 ASN H 1.0 2.8 6.0 758 577 A 8 ASN HBy A 8 ASN H 1.0 2.8 6.0 759 578 A 8 ASN HA A 9 LEU H 1.0 1.8 3.0 760 579 A 8 ASN HBx A 9 LEU H 1.0 1.8 4.0 761 580 A 8 ASN HBy A 9 LEU H 1.0 1.8 4.0 762 581 A 9 LEU H A 9 LEU HA 1.0 1.8 5.5 763 582 A 9 LEU H A 9 LEU HB2 1.0 1.8 4.0 764 582 A 9 LEU H A 9 LEU HB3 1.0 1.8 4.0 765 583 A 9 LEU H A 9 LEU HDx% 1.0 2.8 6.0 766 584 A 9 LEU H A 9 LEU HG 1.0 1.8 3.0 767 585 A 9 LEU H A 10 LYS H 1.0 1.8 5.5 768 586 A 9 LEU H A 11 GLN H 1.0 2.8 6.0 769 587 A 9 LEU H A 39 VAL HGx% 1.0 1.8 4.0 770 588 A 10 LYS H A 10 LYS HA 1.0 1.8 4.0 771 589 A 10 LYS H A 10 LYS HB2 1.0 1.8 3.0 772 589 A 10 LYS H A 10 LYS HB3 1.0 1.8 3.0 773 590 A 10 LYS H A 10 LYS HD2 1.0 1.8 3.0 774 590 A 10 LYS H A 10 LYS HD3 1.0 1.8 3.0 775 591 A 11 GLN H A 10 LYS HB2 1.0 1.8 3.0 776 591 A 11 GLN H A 10 LYS HB3 1.0 1.8 3.0 777 592 A 11 GLN H A 11 GLN HA 1.0 1.8 3.0 778 593 A 11 GLN H A 11 GLN HB2 1.0 1.8 3.0 779 593 A 11 GLN H A 11 GLN HB3 1.0 1.8 3.0 780 594 A 12 ALA H A 11 GLN HB2 1.0 1.8 4.0 781 594 A 11 GLN HB3 A 12 ALA H 1.0 1.8 4.0 782 595 A 11 GLN H A 12 ALA H 1.0 2.8 6.0 783 596 A 12 ALA H A 12 ALA HA 1.0 1.8 4.0 784 597 A 12 ALA HB% A 12 ALA H 1.0 1.8 4.0 785 598 A 13 LYS HA A 13 LYS H 1.0 2.8 6.0 786 599 A 13 LYS H A 13 LYS HB2 1.0 1.8 3.0 787 599 A 13 LYS H A 13 LYS HB3 1.0 1.8 3.0 788 600 A 13 LYS H A 13 LYS HD2 1.0 1.8 3.0 789 600 A 13 LYS HD3 A 13 LYS H 1.0 1.8 3.0 790 601 A 13 LYS H A 14 GLU H 1.0 1.8 4.0 791 602 A 33 ILE HD1% A 13 LYS H 1.0 1.8 4.0 792 603 A 13 LYS H A 14 GLU H 1.0 1.8 4.0 793 604 A 14 GLU H A 14 GLU HA 1.0 1.8 4.0 794 605 A 14 GLU H A 14 GLU HB2 1.0 1.8 3.0 795 605 A 14 GLU H A 14 GLU HB3 1.0 1.8 3.0 796 606 A 14 GLU H A 14 GLU HG2 1.0 1.8 5.5 797 606 A 14 GLU H A 14 GLU HG3 1.0 1.8 5.5 798 607 A 14 GLU H A 15 GLU H 1.0 1.8 4.0 799 608 A 15 GLU H A 15 GLU HA 1.0 1.8 3.0 800 609 A 15 GLU H A 15 GLU HB2 1.0 1.8 3.0 801 609 A 15 GLU HB3 A 15 GLU H 1.0 1.8 3.0 802 610 A 16 ALA HB% A 15 GLU H 1.0 2.8 6.0 803 611 A 16 ALA H A 15 GLU HB2 1.0 1.8 4.0 804 611 A 15 GLU HB3 A 16 ALA H 1.0 1.8 4.0 805 612 A 16 ALA H A 16 ALA HA 1.0 2.8 6.0 806 613 A 33 ILE HD1% A 16 ALA H 1.0 1.8 4.0 807 614 A 17 ILE H A 17 ILE HA 1.0 1.8 5.5 808 615 A 17 ILE H A 17 ILE HB 1.0 1.8 3.0 809 616 A 17 ILE H A 17 ILE HD1% 1.0 1.8 5.5 810 617 A 17 ILE H A 17 ILE HG2% 1.0 1.8 4.0 811 618 A 17 ILE H A 18 LYS H 1.0 1.8 4.0 812 619 A 18 LYS H A 17 ILE HA 1.0 2.8 6.0 813 620 A 18 LYS H A 17 ILE HG2% 1.0 2.8 6.0 814 621 A 18 LYS H A 18 LYS HA 1.0 1.8 4.0 815 622 A 18 LYS H A 18 LYS HB2 1.0 1.8 3.0 816 622 A 18 LYS H A 18 LYS HB3 1.0 1.8 3.0 817 623 A 18 LYS H A 20 LEU H 1.0 1.8 4.0 818 624 A 18 LYS H A 19 GLU H 1.0 2.8 6.0 819 625 A 19 GLU H A 19 GLU HA 1.0 1.8 3.0 820 626 A 19 GLU HBy A 19 GLU H 1.0 1.8 3.0 821 627 A 19 GLU H A 19 GLU HG2 1.0 1.8 3.0 822 627 A 19 GLU H A 19 GLU HG3 1.0 1.8 3.0 823 628 A 18 LYS H A 20 LEU H 1.0 1.8 4.0 824 629 A 19 GLU HBy A 20 LEU H 1.0 1.8 3.0 825 630 A 20 LEU HA A 20 LEU H 1.0 1.8 3.0 826 631 A 20 LEU HDx% A 20 LEU H 1.0 1.8 4.0 827 632 A 21 VAL H A 20 LEU H 1.0 1.8 5.5 828 633 A 21 VAL H A 21 VAL HA 1.0 1.8 5.5 829 634 A 21 VAL H A 21 VAL HB 1.0 1.8 5.5 830 635 A 21 VAL H A 21 VAL HGx% 1.0 1.8 4.0 831 636 A 21 VAL H A 22 ASP H 1.0 1.8 5.5 832 637 A 21 VAL H A 23 ALA H 1.0 2.8 6.0 833 638 A 21 VAL H A 22 ASP H 1.0 1.8 4.0 834 639 A 22 ASP H A 22 ASP HA 1.0 1.8 4.0 835 640 A 23 ALA H A 23 ALA HA 1.0 2.8 6.0 836 641 A 23 ALA HB% A 23 ALA H 1.0 2.8 6.0 837 642 A 23 ALA HA A 24 GLY H 1.0 1.8 4.0 838 643 A 23 ALA HB% A 24 GLY H 1.0 2.8 6.0 839 644 A 24 GLY H A 24 GLY HAx 1.0 1.8 3.0 840 645 A 24 GLY H A 24 GLY HAy 1.0 1.8 3.0 841 646 A 20 LEU HDx% A 25 THR H 1.0 2.8 6.0 842 647 A 25 THR H A 25 THR HA 1.0 1.8 3.0 843 648 A 25 THR H A 25 THR HB 1.0 1.8 3.0 844 649 A 25 THR HG2% A 25 THR H 1.0 1.8 3.0 845 650 A 25 THR H A 26 ALA H 1.0 2.8 6.0 846 651 A 25 THR H A 52 PHE HE% 1.0 2.8 6.0 847 652 A 25 THR H A 26 ALA H 1.0 2.8 6.0 848 653 A 26 ALA H A 26 ALA HA 1.0 1.8 3.0 849 654 A 26 ALA HB% A 26 ALA H 1.0 1.8 3.0 850 655 A 26 ALA H A 27 GLU H 1.0 2.8 6.0 851 656 A 26 ALA H A 52 PHE HE% 1.0 2.8 6.0 852 657 A 20 LEU HDx% A 27 GLU H 1.0 2.8 6.0 853 658 A 26 ALA HA A 27 GLU H 1.0 1.8 3.0 854 659 A 26 ALA H A 27 GLU H 1.0 2.8 6.0 855 660 A 27 GLU H A 27 GLU HA 1.0 1.8 5.5 856 661 A 27 GLU H A 27 GLU HB2 1.0 1.8 3.0 857 661 A 27 GLU H A 27 GLU HB3 1.0 1.8 3.0 858 662 A 27 GLU H A 27 GLU HG2 1.0 1.8 5.5 859 662 A 27 GLU H A 27 GLU HG3 1.0 1.8 5.5 860 663 A 28 LYS HA A 28 LYS H 1.0 1.8 4.0 861 664 A 28 LYS H A 28 LYS HB2 1.0 2.8 6.0 862 664 A 28 LYS H A 28 LYS HB3 1.0 2.8 6.0 863 665 A 28 LYS H A 28 LYS HD2 1.0 1.8 3.0 864 665 A 28 LYS HD3 A 28 LYS H 1.0 1.8 3.0 865 666 A 28 LYS H A 29 TYR HBx 1.0 3.8 7.0 866 667 A 28 LYS H A 29 TYR H 1.0 1.8 4.0 867 668 A 28 LYS HA A 29 TYR H 1.0 2.8 6.0 868 669 A 29 TYR H A 28 LYS HD2 1.0 1.8 5.5 869 669 A 28 LYS HD3 A 29 TYR H 1.0 1.8 5.5 870 670 A 28 LYS H A 29 TYR H 1.0 1.8 4.0 871 671 A 29 TYR HA A 29 TYR H 1.0 2.8 6.0 872 672 A 29 TYR H A 29 TYR HBx 1.0 2.8 6.0 873 673 A 29 TYR H A 29 TYR HBy 1.0 2.8 6.0 874 674 A 29 TYR H A 30 PHE H 1.0 1.8 3.0 875 675 A 30 PHE H A 30 PHE HA 1.0 1.8 4.0 876 676 A 30 PHE H A 30 PHE HB2 1.0 1.8 3.0 877 676 A 30 PHE H A 30 PHE HB3 1.0 1.8 3.0 878 677 A 30 PHE HD% A 30 PHE H 1.0 1.8 5.5 879 678 A 31 LYS H A 31 LYS HA 1.0 2.8 6.0 880 679 A 31 LYS H A 31 LYS HB2 1.0 1.8 3.0 881 679 A 31 LYS H A 31 LYS HB3 1.0 1.8 3.0 882 680 A 31 LYS H A 31 LYS HG2 1.0 1.8 4.0 883 680 A 31 LYS H A 31 LYS HG3 1.0 1.8 4.0 884 681 A 29 TYR HA A 32 LEU H 1.0 2.8 6.0 885 682 A 31 LYS H A 32 LEU H 1.0 1.8 4.0 886 683 A 32 LEU H A 32 LEU HA 1.0 2.8 6.0 887 684 A 32 LEU H A 32 LEU HBx 1.0 1.8 5.5 888 685 A 32 LEU HBy A 32 LEU H 1.0 1.8 5.5 889 686 A 32 LEU H A 32 LEU HDx% 1.0 2.8 6.0 890 687 A 32 LEU HG A 32 LEU H 1.0 1.8 4.0 891 688 A 33 ILE HA A 33 ILE H 1.0 1.8 4.0 892 689 A 33 ILE HB A 33 ILE H 1.0 2.8 6.0 893 690 A 33 ILE HD1% A 33 ILE H 1.0 1.8 5.5 894 691 A 33 ILE H A 33 ILE HG12 1.0 1.8 3.0 895 691 A 33 ILE HG13 A 33 ILE H 1.0 1.8 3.0 896 692 A 34 ALA H A 13 LYS HB2 1.0 1.8 4.0 897 692 A 34 ALA H A 13 LYS HB3 1.0 1.8 4.0 898 693 A 33 ILE HD1% A 34 ALA H 1.0 2.8 6.0 899 694 A 34 ALA H A 34 ALA HA 1.0 1.8 4.0 900 695 A 34 ALA HB% A 34 ALA H 1.0 1.8 3.0 901 696 A 34 ALA H A 35 ASN H 1.0 1.8 4.0 902 697 A 33 ILE HD1% A 35 ASN H 1.0 2.8 6.0 903 698 A 34 ALA HA A 35 ASN H 1.0 2.8 6.0 904 699 A 34 ALA HB% A 35 ASN H 1.0 1.8 4.0 905 700 A 34 ALA H A 35 ASN H 1.0 1.8 4.0 906 701 A 35 ASN HA A 35 ASN H 1.0 1.8 4.0 907 702 A 35 ASN HBx A 35 ASN H 1.0 1.8 4.0 908 703 A 35 ASN H A 35 ASN HBy 1.0 1.8 4.0 909 704 A 33 ILE HD1% A 36 ALA H 1.0 1.8 5.5 910 705 A 34 ALA H A 36 ALA H 1.0 2.8 6.0 911 706 A 35 ASN HA A 36 ALA H 1.0 2.8 6.0 912 707 A 35 ASN HBx A 36 ALA H 1.0 2.8 6.0 913 708 A 35 ASN HBy A 36 ALA H 1.0 2.8 6.0 914 709 A 36 ALA HA A 36 ALA H 1.0 1.8 4.0 915 710 A 36 ALA HB% A 36 ALA H 1.0 1.8 3.0 916 711 A 36 ALA H A 37 LYS H 1.0 2.8 6.0 917 712 A 37 LYS H A 37 LYS HA 1.0 1.8 3.0 918 713 A 37 LYS H A 37 LYS HBx 1.0 2.8 6.0 919 714 A 37 LYS H A 37 LYS HBy 1.0 1.8 5.5 920 715 A 37 LYS H A 37 LYS HG2 1.0 1.8 5.5 921 715 A 37 LYS H A 37 LYS HG3 1.0 1.8 5.5 922 716 A 38 THR H A 37 LYS H 1.0 1.8 4.0 923 717 A 38 THR H A 9 LEU HB2 1.0 1.8 5.5 924 717 A 9 LEU HB3 A 38 THR H 1.0 1.8 5.5 925 718 A 9 LEU HDx% A 38 THR H 1.0 2.8 6.0 926 719 A 38 THR H A 37 LYS HA 1.0 1.8 5.5 927 720 A 38 THR H A 37 LYS HBy 1.0 2.8 6.0 928 721 A 38 THR H A 37 LYS H 1.0 1.8 4.0 929 722 A 38 THR HA A 38 THR H 1.0 1.8 5.5 930 723 A 38 THR H A 38 THR HB 1.0 2.8 6.0 931 724 A 38 THR H A 38 THR HG2% 1.0 2.8 6.0 932 725 A 38 THR H A 41 GLY HAx 1.0 2.8 6.0 933 726 A 41 GLY H A 38 THR H 1.0 2.8 6.0 934 727 A 9 LEU HA A 39 VAL H 1.0 2.8 6.0 935 728 A 9 LEU HDx% A 39 VAL H 1.0 2.8 6.0 936 729 A 38 THR HB A 39 VAL H 1.0 1.8 3.0 937 730 A 38 THR HG2% A 39 VAL H 1.0 1.8 5.5 938 731 A 38 THR H A 39 VAL H 1.0 2.8 6.0 939 732 A 39 VAL HA A 39 VAL H 1.0 1.8 5.5 940 733 A 39 VAL H A 39 VAL HB 1.0 1.8 4.0 941 734 A 39 VAL HGx% A 39 VAL H 1.0 1.8 3.0 942 735 A 38 THR HB A 40 GLU H 1.0 1.8 5.5 943 736 A 38 THR HG2% A 40 GLU H 1.0 2.8 6.0 944 737 A 39 VAL HGx% A 40 GLU H 1.0 1.8 5.5 945 738 A 40 GLU HA A 40 GLU H 1.0 1.8 4.0 946 739 A 40 GLU H A 40 GLU HB2 1.0 1.8 3.0 947 739 A 40 GLU HB3 A 40 GLU H 1.0 1.8 3.0 948 740 A 40 GLU H A 40 GLU HG2 1.0 1.8 5.5 949 740 A 40 GLU HG3 A 40 GLU H 1.0 1.8 5.5 950 741 A 41 GLY H A 40 GLU H 1.0 1.8 4.0 951 742 A 42 VAL H A 40 GLU H 1.0 2.8 6.0 952 743 A 41 GLY H A 36 ALA HB% 1.0 2.8 6.0 953 744 A 41 GLY H A 38 THR H 1.0 2.8 6.0 954 745 A 41 GLY H A 40 GLU HB2 1.0 1.8 4.0 955 745 A 41 GLY H A 40 GLU HB3 1.0 1.8 4.0 956 746 A 41 GLY H A 40 GLU HG2 1.0 2.8 6.0 957 746 A 40 GLU HG3 A 41 GLY H 1.0 2.8 6.0 958 747 A 41 GLY H A 40 GLU H 1.0 1.8 4.0 959 748 A 41 GLY H A 41 GLY HAx 1.0 1.8 3.0 960 749 A 41 GLY H A 42 VAL HGy% 1.0 2.8 6.0 961 750 A 41 GLY H A 42 VAL H 1.0 1.8 4.0 962 751 A 33 ILE HD1% A 42 VAL H 1.0 2.8 6.0 963 752 A 36 ALA HB% A 42 VAL H 1.0 1.8 5.5 964 753 A 41 GLY H A 42 VAL H 1.0 1.8 3.0 965 754 A 42 VAL HA A 42 VAL H 1.0 1.8 4.0 966 755 A 42 VAL HB A 42 VAL H 1.0 1.8 3.0 967 756 A 42 VAL HGy% A 42 VAL H 1.0 1.8 3.0 968 757 A 43 TRP HD1 A 42 VAL H 1.0 2.8 6.0 969 758 A 43 TRP H A 41 GLY H 1.0 1.8 4.0 970 759 A 43 TRP H A 43 TRP HA 1.0 1.8 4.0 971 760 A 43 TRP H A 44 THR HA 1.0 2.8 6.0 972 761 A 44 THR H A 40 GLU HB2 1.0 2.8 6.0 973 761 A 40 GLU HB3 A 44 THR H 1.0 2.8 6.0 974 762 A 42 VAL H A 44 THR H 1.0 1.8 4.0 975 763 A 44 THR H A 43 TRP HBx 1.0 1.8 4.0 976 764 A 44 THR H A 44 THR HA 1.0 1.8 4.0 977 765 A 44 THR H A 44 THR HB 1.0 2.8 6.0 978 766 A 44 THR HG2% A 44 THR H 1.0 1.8 4.0 979 767 A 44 THR H A 45 LEU HDx% 1.0 2.8 6.0 980 768 A 41 GLY HAx A 45 LEU H 1.0 2.8 6.0 981 769 A 44 THR H A 45 LEU H 1.0 1.8 5.5 982 770 A 45 LEU H A 45 LEU HA 1.0 1.8 3.0 983 771 A 45 LEU H A 45 LEU HB2 1.0 1.8 4.0 984 771 A 45 LEU H A 45 LEU HB3 1.0 1.8 4.0 985 772 A 45 LEU H A 45 LEU HDx% 1.0 1.8 5.5 986 773 A 45 LEU H A 45 LEU HG 1.0 1.8 4.0 987 774 A 43 TRP HA A 46 LYS H 1.0 2.8 6.0 988 775 A 45 LEU HA A 46 LYS H 1.0 2.8 6.0 989 776 A 46 LYS H A 46 LYS HA 1.0 1.8 5.5 990 777 A 46 LYS H A 46 LYS HB2 1.0 1.8 4.0 991 777 A 46 LYS H A 46 LYS HB3 1.0 1.8 4.0 992 778 A 46 LYS H A 46 LYS HG2 1.0 1.8 4.0 993 778 A 46 LYS H A 46 LYS HG3 1.0 1.8 4.0 994 779 A 47 ASP H A 46 LYS H 1.0 1.8 4.0 995 780 A 46 LYS H A 48 GLU H 1.0 1.8 4.0 996 781 A 47 ASP H A 46 LYS H 1.0 1.8 5.5 997 782 A 47 ASP H A 47 ASP HA 1.0 2.8 6.0 998 783 A 47 ASP H A 47 ASP HB2 1.0 1.8 4.0 999 783 A 47 ASP HB3 A 47 ASP H 1.0 1.8 4.0 1000 784 A 47 ASP H A 48 GLU HB2 1.0 1.8 5.5 1001 784 A 47 ASP H A 48 GLU HB3 1.0 1.8 5.5 1002 785 A 44 THR HA A 48 GLU H 1.0 1.8 5.5 1003 786 A 48 GLU H A 46 LYS HG2 1.0 2.8 6.0 1004 786 A 46 LYS HG3 A 48 GLU H 1.0 2.8 6.0 1005 787 A 48 GLU H A 47 ASP HB2 1.0 1.8 5.5 1006 787 A 47 ASP HB3 A 48 GLU H 1.0 1.8 5.5 1007 788 A 48 GLU HA A 48 GLU H 1.0 1.8 4.0 1008 789 A 48 GLU H A 48 GLU HB2 1.0 1.8 3.0 1009 789 A 48 GLU HB3 A 48 GLU H 1.0 1.8 3.0 1010 790 A 48 GLU H A 49 ILE H 1.0 1.8 4.0 1011 791 A 45 LEU HA A 49 ILE H 1.0 2.8 6.0 1012 792 A 49 ILE H A 47 ASP HB2 1.0 2.8 6.0 1013 792 A 47 ASP HB3 A 49 ILE H 1.0 2.8 6.0 1014 793 A 49 ILE H A 48 GLU HB2 1.0 1.8 5.5 1015 793 A 48 GLU HB3 A 49 ILE H 1.0 1.8 5.5 1016 794 A 49 ILE HA A 49 ILE H 1.0 2.8 6.0 1017 795 A 49 ILE HB A 49 ILE H 1.0 1.8 3.0 1018 796 A 49 ILE HD1% A 49 ILE H 1.0 1.8 4.0 1019 797 A 49 ILE H A 50 LYS H 1.0 1.8 4.0 1020 798 A 50 LYS H A 50 LYS HA 1.0 1.8 4.0 1021 799 A 50 LYS H A 50 LYS HB2 1.0 1.8 3.0 1022 799 A 50 LYS H A 50 LYS HB3 1.0 1.8 3.0 1023 800 A 51 THR H A 50 LYS HB2 1.0 2.8 6.0 1024 800 A 50 LYS HB3 A 51 THR H 1.0 2.8 6.0 1025 801 A 51 THR HA A 51 THR H 1.0 1.8 4.0 1026 802 A 51 THR HB A 51 THR H 1.0 2.8 6.0 1027 803 A 51 THR HG2% A 51 THR H 1.0 2.8 6.0 1028 804 A 50 LYS HA A 52 PHE H 1.0 2.8 6.0 1029 805 A 51 THR HA A 52 PHE H 1.0 1.8 4.0 1030 806 A 52 PHE HA A 52 PHE H 1.0 1.8 5.5 1031 807 A 52 PHE HBx A 52 PHE H 1.0 1.8 4.0 1032 808 A 52 PHE HD% A 52 PHE H 1.0 2.8 6.0 1033 809 A 53 THR H A 52 PHE H 1.0 1.8 4.0 1034 810 A 53 THR H A 52 PHE HA 1.0 1.8 3.0 1035 811 A 53 THR H A 52 PHE HBx 1.0 1.8 4.0 1036 812 A 53 THR H A 52 PHE H 1.0 1.8 4.0 1037 813 A 53 THR H A 53 THR HA 1.0 1.8 4.0 1038 814 A 53 THR H A 53 THR HB 1.0 1.8 4.0 1039 815 A 53 THR H A 53 THR HG2% 1.0 1.8 4.0 1040 816 A 54 VAL HA A 54 VAL H 1.0 1.8 3.0 1041 817 A 54 VAL H A 54 VAL HB 1.0 1.8 4.0 1042 818 A 54 VAL H A 54 VAL HGx% 1.0 1.8 4.0 1043 819 A 54 VAL HB A 55 THR H 1.0 1.8 3.0 1044 820 A 55 THR HA A 55 THR H 1.0 1.8 4.0 1045 821 A 55 THR HB A 55 THR H 1.0 1.8 3.0 1046 822 A 55 THR HG2% A 55 THR H 1.0 1.8 5.5 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 17 ILE HA A 21 VAL HGx% 1.0 2.8 6.0 2 2 A 17 ILE HA A 30 PHE HD% 1.0 2.8 6.0 3 3 A 20 LEU HDx% A 30 PHE HB2 1.0 1.8 3.0 4 3 A 20 LEU HDx% A 30 PHE HB3 1.0 1.8 3.0 5 4 A 17 ILE HA A 30 PHE HB2 1.0 1.8 4.0 6 4 A 17 ILE HA A 30 PHE HB3 1.0 1.8 4.0 7 5 A 17 ILE HB A 30 PHE HB2 1.0 1.8 4.0 8 5 A 17 ILE HB A 30 PHE HB3 1.0 1.8 4.0 9 6 A 17 ILE HD1% A 30 PHE HB2 1.0 1.8 4.0 10 6 A 17 ILE HD1% A 30 PHE HB3 1.0 1.8 4.0 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 13 LYS H A 9 LEU O 1.0 1.5 2.5 2 2 A 9 LEU O A 13 LYS N 1.0 2.3 3.2 3 3 A 14 GLU H A 10 LYS O 1.0 1.5 2.5 4 4 A 10 LYS O A 14 GLU N 1.0 2.3 3.2 5 5 A 15 GLU H A 11 GLN O 1.0 1.5 2.5 6 6 A 11 GLN O A 15 GLU N 1.0 2.3 3.2 7 7 A 16 ALA H A 12 ALA O 1.0 1.5 2.5 8 8 A 12 ALA O A 16 ALA N 1.0 2.3 3.2 9 9 A 17 ILE H A 13 LYS O 1.0 1.5 2.5 10 10 A 13 LYS O A 17 ILE N 1.0 2.3 3.2 11 11 A 18 LYS H A 14 GLU O 1.0 1.5 2.5 12 12 A 14 GLU O A 18 LYS N 1.0 2.3 3.2 13 13 A 19 GLU H A 15 GLU O 1.0 1.5 2.5 14 14 A 15 GLU O A 19 GLU N 1.0 2.3 3.2 15 15 A 20 LEU H A 16 ALA O 1.0 1.5 2.5 16 16 A 16 ALA O A 20 LEU N 1.0 2.3 3.2 17 17 A 21 VAL H A 17 ILE O 1.0 1.5 2.5 18 18 A 17 ILE O A 21 VAL N 1.0 2.3 3.2 19 19 A 22 ASP H A 18 LYS O 1.0 1.5 2.5 20 20 A 18 LYS O A 22 ASP N 1.0 2.3 3.2 21 21 A 23 ALA H A 19 GLU O 1.0 1.5 2.5 22 22 A 19 GLU O A 23 ALA N 1.0 2.3 3.2 23 23 A 31 LYS H A 27 GLU O 1.0 1.5 2.5 24 24 A 27 GLU O A 31 LYS N 1.0 2.3 3.2 25 25 A 32 LEU H A 28 LYS O 1.0 1.5 2.5 26 26 A 28 LYS O A 32 LEU N 1.0 2.3 3.2 27 27 A 33 ILE H A 29 TYR O 1.0 1.5 2.5 28 28 A 29 TYR O A 33 ILE N 1.0 2.3 3.2 29 29 A 34 ALA H A 30 PHE O 1.0 1.5 2.5 30 30 A 30 PHE O A 34 ALA N 1.0 2.3 3.2 31 31 A 43 TRP H A 39 VAL O 1.0 1.5 2.5 32 32 A 39 VAL O A 43 TRP N 1.0 2.3 3.2 33 33 A 44 THR H A 40 GLU O 1.0 1.5 2.5 34 34 A 40 GLU O A 44 THR N 1.0 2.3 3.2 35 35 A 45 LEU H A 41 GLY O 1.0 1.5 2.5 36 36 A 41 GLY O A 45 LEU N 1.0 2.3 3.2 37 37 A 46 LYS H A 42 VAL O 1.0 1.5 2.5 38 38 A 42 VAL O A 46 LYS N 1.0 2.3 3.2 39 39 A 47 ASP H A 43 TRP O 1.0 1.5 2.5 40 40 A 43 TRP O A 47 ASP N 1.0 2.3 3.2 41 41 A 48 GLU H A 44 THR O 1.0 1.5 2.5 42 42 A 44 THR O A 48 GLU N 1.0 2.3 3.2 43 43 A 49 ILE H A 45 LEU O 1.0 1.5 2.5 44 44 A 45 LEU O A 49 ILE N 1.0 2.3 3.2 45 45 A 50 LYS H A 46 LYS O 1.0 1.5 2.5 46 46 A 46 LYS O A 50 LYS N 1.0 2.3 3.2 47 47 A 51 THR H A 47 ASP O 1.0 1.5 2.5 48 48 A 47 ASP O A 51 THR N 1.0 2.3 3.2 49 49 A 52 PHE H A 48 GLU O 1.0 1.5 2.5 50 50 A 48 GLU O A 52 PHE N 1.0 2.3 3.2 stop_ save_ save_CNS/XPLOR_dihedral_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 8 ASN C A 9 LEU N A 9 LEU CA A 9 LEU C 1.0 -86.7 -36.7 PHI 2 2 A 9 LEU N A 9 LEU CA A 9 LEU C A 10 LYS N 1.0 -49.4 -31.6 PSI 3 3 A 9 LEU C A 10 LYS N A 10 LYS CA A 10 LYS C 1.0 -85.8 -35.8 PHI 4 4 A 10 LYS N A 10 LYS CA A 10 LYS C A 11 GLN N 1.0 -51.7 -33.9 PSI 5 5 A 10 LYS C A 11 GLN N A 11 GLN CA A 11 GLN C 1.0 -88.8 -38.8 PHI 6 6 A 11 GLN N A 11 GLN CA A 11 GLN C A 12 ALA N 1.0 -49.9 -32.1 PSI 7 7 A 11 GLN C A 12 ALA N A 12 ALA CA A 12 ALA C 1.0 -89.5 -39.5 PHI 8 8 A 12 ALA N A 12 ALA CA A 12 ALA C A 13 LYS N 1.0 -45.7 -27.9 PSI 9 9 A 12 ALA C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -86.0 -36.0 PHI 10 10 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 GLU N 1.0 -55.8 -38.0 PSI 11 11 A 13 LYS C A 14 GLU N A 14 GLU CA A 14 GLU C 1.0 -85.6 -35.6 PHI 12 12 A 14 GLU N A 14 GLU CA A 14 GLU C A 15 GLU N 1.0 -50.0 -32.0 PSI 13 13 A 14 GLU C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -89.9 -39.9 PHI 14 14 A 15 GLU N A 15 GLU CA A 15 GLU C A 16 ALA N 1.0 -48.9 -31.1 PSI 15 15 A 15 GLU C A 16 ALA N A 16 ALA CA A 16 ALA C 1.0 -92.5 -42.5 PHI 16 16 A 16 ALA N A 16 ALA CA A 16 ALA C A 17 ILE N 1.0 -48.8 -28.8 PSI 17 17 A 16 ALA C A 17 ILE N A 17 ILE CA A 17 ILE C 1.0 -88.9 -38.9 PHI 18 18 A 17 ILE N A 17 ILE CA A 17 ILE C A 18 LYS N 1.0 -54.8 -34.8 PSI 19 19 A 17 ILE C A 18 LYS N A 18 LYS CA A 18 LYS C 1.0 -83.1 -33.1 PHI 20 20 A 18 LYS N A 18 LYS CA A 18 LYS C A 19 GLU N 1.0 -51.3 -31.3 PSI 21 21 A 18 LYS C A 19 GLU N A 19 GLU CA A 19 GLU C 1.0 -87.8 -37.8 PHI 22 22 A 19 GLU N A 19 GLU CA A 19 GLU C A 20 LEU N 1.0 -54.0 -34.0 PSI 23 23 A 19 GLU C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -91.0 -41.0 PHI 24 24 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 VAL N 1.0 -45.0 -25.0 PSI 25 25 A 20 LEU C A 21 VAL N A 21 VAL CA A 21 VAL C 1.0 -94.2 -44.2 PHI 26 26 A 21 VAL N A 21 VAL CA A 21 VAL C A 22 ASP N 1.0 -51.0 -31.2 PSI 27 27 A 21 VAL C A 22 ASP N A 22 ASP CA A 22 ASP C 1.0 -88.5 -38.5 PHI 28 28 A 22 ASP N A 22 ASP CA A 22 ASP C A 23 ALA N 1.0 -45.0 -25.0 PSI 29 29 A 26 ALA C A 27 GLU N A 27 GLU CA A 27 GLU C 1.0 -85.0 -35.0 PHI 30 30 A 27 GLU N A 27 GLU CA A 27 GLU C A 28 LYS N 1.0 -54.3 -34.3 PSI 31 31 A 27 GLU C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 -85.5 -35.5 PHI 32 32 A 28 LYS N A 28 LYS CA A 28 LYS C A 29 TYR N 1.0 -42.7 -18.9 PSI 33 33 A 28 LYS C A 29 TYR N A 29 TYR CA A 29 TYR C 1.0 -93.8 -43.8 PHI 34 34 A 29 TYR N A 29 TYR CA A 29 TYR C A 30 PHE N 1.0 -54.4 -30.6 PSI 35 35 A 29 TYR C A 30 PHE N A 30 PHE CA A 30 PHE C 1.0 -94.8 -44.8 PHI 36 36 A 30 PHE N A 30 PHE CA A 30 PHE C A 31 LYS N 1.0 -48.2 -24.4 PSI 37 37 A 30 PHE C A 31 LYS N A 31 LYS CA A 31 LYS C 1.0 -89.6 -39.6 PHI 38 38 A 31 LYS N A 31 LYS CA A 31 LYS C A 32 LEU N 1.0 -47.6 -23.6 PSI 39 39 A 31 LYS C A 32 LEU N A 32 LEU CA A 32 LEU C 1.0 -89.5 -39.5 PHI 40 40 A 32 LEU N A 32 LEU CA A 32 LEU C A 33 ILE N 1.0 -53.1 -29.3 PSI 41 41 A 32 LEU C A 33 ILE N A 33 ILE CA A 33 ILE C 1.0 -91.3 -41.3 PHI 42 42 A 33 ILE N A 33 ILE CA A 33 ILE C A 34 ALA N 1.0 -47.4 -23.6 PSI 43 43 A 33 ILE C A 34 ALA N A 34 ALA CA A 34 ALA C 1.0 -83.7 -33.7 PHI 44 44 A 34 ALA N A 34 ALA CA A 34 ALA C A 35 ASN N 1.0 -47.4 -23.6 PSI 45 45 A 34 ALA C A 35 ASN N A 35 ASN CA A 35 ASN C 1.0 -110.8 -60.8 PHI 46 46 A 35 ASN N A 35 ASN CA A 35 ASN C A 36 ALA N 1.0 -29.3 -0.1 PSI 47 47 A 38 THR C A 39 VAL N A 39 VAL CA A 39 VAL C 1.0 -88.7 -38.9 PHI 48 48 A 39 VAL N A 39 VAL CA A 39 VAL C A 40 GLU N 1.0 -55.7 -26.5 PSI 49 49 A 39 VAL C A 40 GLU N A 40 GLU CA A 40 GLU C 1.0 -87.0 -37.0 PHI 50 50 A 40 GLU N A 40 GLU CA A 40 GLU C A 41 GLY N 1.0 -54.0 -24.8 PSI 51 51 A 40 GLU C A 41 GLY N A 41 GLY CA A 41 GLY C 1.0 -92.4 -42.4 PHI 52 52 A 41 GLY N A 41 GLY CA A 41 GLY C A 42 VAL N 1.0 -53.1 -23.9 PSI 53 53 A 41 GLY C A 42 VAL N A 42 VAL CA A 42 VAL C 1.0 -88.8 -38.8 PHI 54 54 A 42 VAL N A 42 VAL CA A 42 VAL C A 43 TRP N 1.0 -53.8 -24.6 PSI 55 55 A 42 VAL C A 43 TRP N A 43 TRP CA A 43 TRP C 1.0 -88.3 -38.3 PHI 56 56 A 43 TRP N A 43 TRP CA A 43 TRP C A 44 THR N 1.0 -53.1 -23.9 PSI 57 57 A 43 TRP C A 44 THR N A 44 THR CA A 44 THR C 1.0 -90.8 -40.8 PHI 58 58 A 44 THR N A 44 THR CA A 44 THR C A 45 LEU N 1.0 -55.9 -26.7 PSI 59 59 A 44 THR C A 45 LEU N A 45 LEU CA A 45 LEU C 1.0 -87.7 -37.7 PHI 60 60 A 45 LEU N A 45 LEU CA A 45 LEU C A 46 LYS N 1.0 -55.7 -26.3 PSI 61 61 A 45 LEU C A 46 LYS N A 46 LYS CA A 46 LYS C 1.0 -86.5 -36.5 PHI 62 62 A 46 LYS N A 46 LYS CA A 46 LYS C A 47 ASP N 1.0 -55.7 -26.5 PSI 63 63 A 46 LYS C A 47 ASP N A 47 ASP CA A 47 ASP C 1.0 -89.8 -39.8 PHI 64 64 A 47 ASP N A 47 ASP CA A 47 ASP C A 48 GLU N 1.0 -51.7 -22.5 PSI 65 65 A 47 ASP C A 48 GLU N A 48 GLU CA A 48 GLU C 1.0 -91.6 -41.6 PHI 66 66 A 48 GLU N A 48 GLU CA A 48 GLU C A 49 ILE N 1.0 -53.0 -23.8 PSI 67 67 A 48 GLU C A 49 ILE N A 49 ILE CA A 49 ILE C 1.0 -89.7 -39.7 PHI 68 68 A 49 ILE N A 49 ILE CA A 49 ILE C A 50 LYS N 1.0 -57.2 -28.0 PSI 69 69 A 49 ILE C A 50 LYS N A 50 LYS CA A 50 LYS C 1.0 -87.5 -37.5 PHI 70 70 A 50 LYS N A 50 LYS CA A 50 LYS C A 51 THR N 1.0 -51.6 -22.2 PSI 71 71 A 50 LYS C A 51 THR N A 51 THR CA A 51 THR C 1.0 -101.9 -51.9 PHI 72 72 A 51 THR N A 51 THR CA A 51 THR C A 52 PHE N 1.0 -47.8 -15.0 PSI stop_ save_