data_nef_c15535_2jws 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 GLY middle . false 25 A 25 ILE middle . . 26 A 26 ALA middle . . 27 A 27 GLU middle . . 28 A 28 LYS middle . . 29 A 29 TYR middle . . 30 A 30 ILE middle . . 31 A 31 LYS middle . . 32 A 32 LEU middle . . 33 A 33 ILE middle . . 34 A 34 ALA middle . . 35 A 35 ASN middle . . 36 A 36 ALA middle . . 37 A 37 LYS middle . . 38 A 38 THR middle . . 39 A 39 VAL middle . . 40 A 40 GLU middle . . 41 A 41 GLY middle . false 42 A 42 VAL middle . . 43 A 43 TRP middle . . 44 A 44 THR middle . . 45 A 45 LEU middle . . 46 A 46 LYS middle . . 47 A 47 ASP middle . . 48 A 48 GLU middle . . 49 A 49 ILE middle . . 50 A 50 LEU 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 CA C 13 60.107 0.5 A 1 THR CB C 13 68.448 0.5 A 2 THR H H 1 7.97 0.048 A 2 THR HA H 1 4.183 0.044 A 2 THR HB H 1 3.951 0.053 A 2 THR HG2% H 1 1.035 0.032 A 2 THR C C 13 173.875 0.5 A 2 THR CA C 13 61.768 0.5 A 2 THR CB C 13 69.631 0.014 A 2 THR CG2 C 13 21.581 0.5 A 2 THR N N 15 128.423 0.002 A 3 TYR H H 1 8.247 0.036 A 3 TYR HA H 1 4.271 0.037 A 3 TYR HB2 H 1 2.688 0.041 A 3 TYR HB3 H 1 2.688 0.041 A 3 TYR HD1 H 1 7.019 0.036 A 3 TYR HD2 H 1 7.019 0.036 A 3 TYR HE1 H 1 6.859 0.029 A 3 TYR HE2 H 1 6.859 0.029 A 3 TYR C C 13 175.714 0.5 A 3 TYR CA C 13 58.145 0.044 A 3 TYR CB C 13 38.753 0.222 A 3 TYR CE1 C 13 118.612 0.5 A 3 TYR CE2 C 13 118.612 0.5 A 3 TYR N N 15 123.871 0.049 A 4 LYS H H 1 8.009 0.045 A 4 LYS HA H 1 3.963 0.033 A 4 LYS HB2 H 1 1.466 0.013 A 4 LYS HB3 H 1 1.466 0.013 A 4 LYS HE2 H 1 2.623 0.058 A 4 LYS HE3 H 1 2.623 0.058 A 4 LYS HG2 H 1 1.084 0.05 A 4 LYS HG3 H 1 1.084 0.05 A 4 LYS C C 13 175.979 0.5 A 4 LYS CA C 13 56.821 0.022 A 4 LYS CB C 13 32.981 0.5 A 4 LYS CG C 13 24.591 0.5 A 4 LYS N N 15 122.309 0.034 A 5 LEU H H 1 7.918 0.033 A 5 LEU HA H 1 4.151 0.017 A 5 LEU HB2 H 1 1.448 0.026 A 5 LEU HB3 H 1 1.448 0.026 A 5 LEU HDx% H 1 0.764 0.016 A 5 LEU HG H 1 1.571 0.05 A 5 LEU C C 13 176.945 0.5 A 5 LEU CA C 13 55.32 0.023 A 5 LEU CB C 13 42.054 0.004 A 5 LEU CD1 C 13 24.708 0.5 A 5 LEU CD2 C 13 23.712 0.5 A 5 LEU CG C 13 26.912 0.5 A 5 LEU N N 15 121.83 0.067 A 6 ILE H H 1 7.974 0.023 A 6 ILE HA H 1 3.959 0.047 A 6 ILE HB H 1 1.822 0.018 A 6 ILE HD1% H 1 0.764 0.053 A 6 ILE HG12 H 1 1.416 0.01 A 6 ILE HG13 H 1 1.416 0.01 A 6 ILE HG2% H 1 1.054 0.007 A 6 ILE C C 13 176.11 0.5 A 6 ILE CA C 13 61.287 0.042 A 6 ILE CB C 13 38.228 0.02 A 6 ILE CD1 C 13 12.355 0.5 A 6 ILE CG1 C 13 27.225 0.5 A 6 ILE CG2 C 13 17.682 0.5 A 6 ILE N N 15 121.898 0.043 A 7 LEU H H 1 8.071 0.051 A 7 LEU HA H 1 4.316 0.027 A 7 LEU HB2 H 1 1.544 0.027 A 7 LEU HB3 H 1 1.544 0.027 A 7 LEU HDx% H 1 0.753 0.047 A 7 LEU HG H 1 1.615 0.05 A 7 LEU C C 13 176.915 0.5 A 7 LEU CA C 13 55.177 0.037 A 7 LEU CB C 13 43.08 0.005 A 7 LEU CG C 13 25.235 0.5 A 7 LEU N N 15 125.296 0.032 A 8 ASN H H 1 8.021 0.028 A 8 ASN HA H 1 4.57 0.047 A 8 ASN HB2 H 1 2.875 0.031 A 8 ASN HB3 H 1 2.875 0.031 A 8 ASN C C 13 175.203 0.5 A 8 ASN CA C 13 52.32 0.017 A 8 ASN CB C 13 39.229 0.032 A 8 ASN N N 15 117.805 0.046 A 9 LEU H H 1 8.385 0.007 A 9 LEU HA H 1 3.718 0.019 A 9 LEU HBy H 1 1.692 0.022 A 9 LEU HBx H 1 1.266 0.029 A 9 LEU HDx% H 1 0.714 0.037 A 9 LEU HDy% H 1 0.4 0.05 A 9 LEU HG H 1 1.651 0.05 A 9 LEU C C 13 177.15 0.5 A 9 LEU CA C 13 58.501 0.021 A 9 LEU CB C 13 42.085 0.013 A 9 LEU CD1 C 13 23.478 0.5 A 9 LEU CG C 13 25.762 0.5 A 9 LEU N N 15 122.11 0.04 A 10 LYS H H 1 8.027 0.03 A 10 LYS HA H 1 3.824 0.036 A 10 LYS HB2 H 1 1.838 0.032 A 10 LYS HB3 H 1 1.838 0.032 A 10 LYS HG2 H 1 1.365 0.003 A 10 LYS HG3 H 1 1.365 0.003 A 10 LYS C C 13 178.555 0.5 A 10 LYS CA C 13 59.893 0.012 A 10 LYS CB C 13 32.143 0.022 A 10 LYS CE C 13 42.564 0.5 A 10 LYS CG C 13 24.942 0.5 A 10 LYS N N 15 118.739 0.034 A 11 GLN H H 1 7.574 0.037 A 11 GLN HA H 1 3.984 0.031 A 11 GLN HB2 H 1 2.09 0.019 A 11 GLN HB3 H 1 2.09 0.019 A 11 GLN HG2 H 1 2.425 0.024 A 11 GLN HG3 H 1 2.425 0.024 A 11 GLN C C 13 175.218 0.5 A 11 GLN CA C 13 59.252 0.05 A 11 GLN CB C 13 29.579 0.058 A 11 GLN CG C 13 36.182 0.5 A 11 GLN N N 15 117.396 0.042 A 12 ALA H H 1 8.432 0.028 A 12 ALA HA H 1 4.001 0.058 A 12 ALA HB% H 1 1.119 0.047 A 12 ALA C C 13 179.374 0.5 A 12 ALA CA C 13 55.373 0.041 A 12 ALA CB C 13 18.214 0.082 A 12 ALA N N 15 122.547 0.042 A 13 LYS H H 1 8.276 0.025 A 13 LYS HA H 1 3.404 0.044 A 13 LYS HB2 H 1 1.851 0.014 A 13 LYS HB3 H 1 1.851 0.014 A 13 LYS HD2 H 1 1.501 0.047 A 13 LYS HD3 H 1 1.501 0.047 A 13 LYS HG2 H 1 0.854 0.021 A 13 LYS HG3 H 1 0.854 0.021 A 13 LYS C C 13 178.467 0.5 A 13 LYS CA C 13 60.801 0.034 A 13 LYS CB C 13 33.111 0.048 A 13 LYS CE C 13 42.915 0.5 A 13 LYS CG C 13 22.438 0.5 A 13 LYS N N 15 116.459 0.01 A 14 GLU H H 1 7.84 0.021 A 14 GLU HA H 1 3.755 0.042 A 14 GLU HB2 H 1 1.909 0.028 A 14 GLU HB3 H 1 1.909 0.028 A 14 GLU HG2 H 1 2.174 0.031 A 14 GLU HG3 H 1 2.174 0.031 A 14 GLU C C 13 177.72 0.5 A 14 GLU CA C 13 59.737 0.015 A 14 GLU CB C 13 29.453 0.011 A 14 GLU CG C 13 36.193 0.5 A 14 GLU N N 15 116.581 0.024 A 15 GLU H H 1 8.269 0.026 A 15 GLU HA H 1 3.961 0.024 A 15 GLU HB2 H 1 1.94 0.053 A 15 GLU HB3 H 1 1.94 0.053 A 15 GLU HG2 H 1 2.448 0.022 A 15 GLU HG3 H 1 2.448 0.022 A 15 GLU C C 13 178.438 0.5 A 15 GLU CA C 13 58.383 0.019 A 15 GLU CB C 13 28.994 0.008 A 15 GLU CG C 13 33.842 0.5 A 15 GLU N N 15 115.657 0.072 A 16 ALA H H 1 8.5 0.044 A 16 ALA HA H 1 3.939 0.042 A 16 ALA HB% H 1 1.069 0.043 A 16 ALA C C 13 179.33 0.5 A 16 ALA CA C 13 55.401 0.04 A 16 ALA CB C 13 18.98 0.055 A 16 ALA N N 15 122.087 0.03 A 17 ILE H H 1 8.598 0.059 A 17 ILE HA H 1 3.334 0.04 A 17 ILE HB H 1 1.73 0.015 A 17 ILE HD1% H 1 0.705 0.036 A 17 ILE C C 13 177.12 0.5 A 17 ILE CA C 13 66.876 0.02 A 17 ILE CB C 13 37.817 0.008 A 17 ILE CG1 C 13 30.972 0.5 A 17 ILE CG2 C 13 21.488 0.5 A 17 ILE N N 15 117.395 0.03 A 18 LYS H H 1 7.633 0.051 A 18 LYS HA H 1 3.748 0.051 A 18 LYS HB2 H 1 1.715 0.017 A 18 LYS HB3 H 1 1.715 0.017 A 18 LYS HE2 H 1 2.824 0.054 A 18 LYS HE3 H 1 2.824 0.054 A 18 LYS HG2 H 1 1.282 0.014 A 18 LYS HG3 H 1 1.282 0.014 A 18 LYS C C 13 179.199 0.5 A 18 LYS CA C 13 60.001 0.029 A 18 LYS CB C 13 32.538 0.5 A 18 LYS CG C 13 24.708 0.5 A 18 LYS N N 15 119.143 0.043 A 19 GLU H H 1 8.192 0.046 A 19 GLU HA H 1 3.942 0.059 A 19 GLU HB2 H 1 2.036 0.03 A 19 GLU HB3 H 1 2.036 0.03 A 19 GLU HG2 H 1 2.4 0.023 A 19 GLU HG3 H 1 2.4 0.023 A 19 GLU C C 13 179.813 0.5 A 19 GLU CA C 13 59.577 0.008 A 19 GLU CB C 13 29.756 0.5 A 19 GLU CG C 13 36.446 0.5 A 19 GLU N N 15 118.201 0.029 A 20 LEU H H 1 8.128 0.053 A 20 LEU HA H 1 3.877 0.041 A 20 LEU HB2 H 1 1.909 0.038 A 20 LEU HB3 H 1 1.909 0.038 A 20 LEU HDx% H 1 0.694 0.042 A 20 LEU HG H 1 1.14 0.024 A 20 LEU C C 13 178.906 0.5 A 20 LEU CA C 13 58.171 0.054 A 20 LEU CB C 13 41.496 0.037 A 20 LEU CD1 C 13 23.303 0.5 A 20 LEU CG C 13 26.665 0.5 A 20 LEU N N 15 119.841 0.031 A 21 VAL H H 1 9.063 0.048 A 21 VAL HA H 1 3.608 0.02 A 21 VAL HB H 1 2.058 0.022 A 21 VAL HGx% H 1 0.841 0.019 A 21 VAL C C 13 176.301 0.5 A 21 VAL CA C 13 66.684 0.046 A 21 VAL CB C 13 31.879 0.5 A 21 VAL CG1 C 13 20.785 0.5 A 21 VAL N N 15 122.114 0.031 A 22 ASP H H 1 8.427 0.037 A 22 ASP HA H 1 4.276 0.008 A 22 ASP HB2 H 1 2.596 0.04 A 22 ASP HB3 H 1 2.596 0.04 A 22 ASP C C 13 177.428 0.5 A 22 ASP CA C 13 57.143 0.022 A 22 ASP CB C 13 40.015 0.027 A 22 ASP N N 15 122.544 0.025 A 23 ALA H H 1 7.451 0.043 A 23 ALA HA H 1 4.284 0.005 A 23 ALA HB% H 1 1.403 0.003 A 23 ALA C C 13 177.647 0.5 A 23 ALA CA C 13 52.14 0.013 A 23 ALA CB C 13 19.094 0.038 A 23 ALA N N 15 119.69 0.033 A 24 GLY H H 1 8.007 0.048 A 24 GLY HAy H 1 3.93 0.022 A 24 GLY HAx H 1 3.786 0.023 A 24 GLY C C 13 174.852 0.5 A 24 GLY CA C 13 45.939 0.01 A 24 GLY N N 15 107.876 0.023 A 25 ILE H H 1 7.628 0.05 A 25 ILE HA H 1 3.88 0.018 A 25 ILE HB H 1 1.707 0.021 A 25 ILE HD1% H 1 0.653 0.032 A 25 ILE HG12 H 1 1.151 0.018 A 25 ILE HG13 H 1 1.151 0.018 A 25 ILE C C 13 174.954 0.5 A 25 ILE CA C 13 58.787 0.022 A 25 ILE CB C 13 36.014 0.5 A 25 ILE CG1 C 13 27.857 0.5 A 25 ILE CG2 C 13 18.912 0.5 A 25 ILE N N 15 121.226 0.02 A 26 ALA H H 1 8.454 0.042 A 26 ALA HA H 1 4.164 0.012 A 26 ALA HB% H 1 1.443 0.056 A 26 ALA C C 13 178.921 0.5 A 26 ALA CA C 13 52.978 0.029 A 26 ALA CB C 13 19.648 0.088 A 26 ALA N N 15 127.062 0.034 A 27 GLU H H 1 8.652 0.033 A 27 GLU HA H 1 3.728 0.018 A 27 GLU HB2 H 1 1.996 0.044 A 27 GLU HB3 H 1 1.996 0.044 A 27 GLU HG2 H 1 2.335 0.012 A 27 GLU HG3 H 1 2.335 0.012 A 27 GLU C C 13 179.886 0.5 A 27 GLU CA C 13 59.83 0.022 A 27 GLU CB C 13 29.682 0.027 A 27 GLU CG C 13 36.555 0.5 A 27 GLU N N 15 122.104 0.018 A 28 LYS H H 1 8.315 0.05 A 28 LYS HA H 1 3.789 0.045 A 28 LYS HB2 H 1 1.278 0.004 A 28 LYS HB3 H 1 1.278 0.004 A 28 LYS HD2 H 1 1.601 0.039 A 28 LYS HD3 H 1 1.601 0.039 A 28 LYS HG2 H 1 0.633 0.014 A 28 LYS HG3 H 1 0.633 0.014 A 28 LYS C C 13 177.179 0.5 A 28 LYS CA C 13 58.673 0.5 A 28 LYS CB C 13 31.279 0.5 A 28 LYS CD C 13 29.333 0.5 A 28 LYS CG C 13 23.186 0.5 A 28 LYS N N 15 119.368 0.024 A 29 TYR H H 1 7.372 0.041 A 29 TYR HA H 1 4.448 0.04 A 29 TYR HBy H 1 3.002 0.026 A 29 TYR HBx H 1 2.746 0.032 A 29 TYR HD1 H 1 6.91 0.054 A 29 TYR HD2 H 1 6.91 0.054 A 29 TYR HE1 H 1 6.709 0.027 A 29 TYR HE2 H 1 6.709 0.027 A 29 TYR C C 13 177.413 0.5 A 29 TYR CA C 13 59.246 0.019 A 29 TYR CB C 13 38.528 0.052 A 29 TYR CD1 C 13 132.473 0.5 A 29 TYR CD2 C 13 132.473 0.5 A 29 TYR CE1 C 13 118.129 0.5 A 29 TYR CE2 C 13 118.129 0.5 A 29 TYR N N 15 116.907 0.084 A 30 ILE H H 1 7.448 0.039 A 30 ILE HA H 1 3.359 0.03 A 30 ILE HB H 1 1.836 0.012 A 30 ILE HD1% H 1 0.841 0.045 A 30 ILE HG12 H 1 1.548 0.012 A 30 ILE HG13 H 1 1.548 0.012 A 30 ILE C C 13 177.662 0.5 A 30 ILE CA C 13 65.541 0.053 A 30 ILE CB C 13 37.362 0.018 A 30 ILE CG1 C 13 29.801 0.5 A 30 ILE CG2 C 13 18.444 0.5 A 30 ILE N N 15 120.953 0.022 A 31 LYS H H 1 7.835 0.025 A 31 LYS HA H 1 3.831 0.026 A 31 LYS HB2 H 1 1.604 0.036 A 31 LYS HB3 H 1 1.604 0.036 A 31 LYS HG2 H 1 1.311 0.013 A 31 LYS HG3 H 1 1.311 0.013 A 31 LYS C C 13 178.218 0.5 A 31 LYS CA C 13 58.702 0.024 A 31 LYS CB C 13 32.198 0.011 A 31 LYS CD C 13 28.923 0.5 A 31 LYS CE C 13 41.766 0.5 A 31 LYS CG C 13 24.883 0.5 A 31 LYS N N 15 116.536 0.034 A 32 LEU H H 1 7.335 0.033 A 32 LEU HA H 1 3.905 0.031 A 32 LEU HBy H 1 1.97 0.02 A 32 LEU HBx H 1 1.419 0.015 A 32 LEU HDx% H 1 0.979 0.048 A 32 LEU HG H 1 1.514 0.008 A 32 LEU C C 13 179.901 0.5 A 32 LEU CA C 13 57.366 0.024 A 32 LEU CB C 13 41.55 0.056 A 32 LEU CD1 C 13 22.132 0.5 A 32 LEU CG C 13 25.41 0.5 A 32 LEU N N 15 117.191 0.024 A 33 ILE H H 1 7.409 0.039 A 33 ILE HA H 1 3.522 0.045 A 33 ILE HB H 1 2.043 0.049 A 33 ILE HD1% H 1 0.733 0.032 A 33 ILE HG12 H 1 1.221 0.016 A 33 ILE HG13 H 1 1.221 0.016 A 33 ILE HG2% H 1 0.163 0.003 A 33 ILE C C 13 177.354 0.5 A 33 ILE CA C 13 62.128 0.048 A 33 ILE CB C 13 35.578 0.045 A 33 ILE CD1 C 13 16.921 0.5 A 33 ILE CG1 C 13 27.02 0.5 A 33 ILE CG2 C 13 21.439 0.192 A 33 ILE N N 15 117.873 0.025 A 34 ALA H H 1 7.615 0.047 A 34 ALA HA H 1 3.774 0.026 A 34 ALA HB% H 1 1.293 0.021 A 34 ALA C C 13 178.789 0.5 A 34 ALA CA C 13 54.717 0.015 A 34 ALA CB C 13 18.384 0.5 A 34 ALA N N 15 119.178 0.036 A 35 ASN H H 1 7.354 0.032 A 35 ASN HA H 1 4.572 0.046 A 35 ASN HBy H 1 2.761 0.016 A 35 ASN HBx H 1 2.567 0.002 A 35 ASN C C 13 175.482 0.5 A 35 ASN CA C 13 52.835 0.024 A 35 ASN CB C 13 39.178 0.036 A 35 ASN N N 15 113.033 0.02 A 36 ALA H H 1 7.439 0.056 A 36 ALA HA H 1 4.078 0.022 A 36 ALA HB% H 1 1.248 0.02 A 36 ALA C C 13 177.852 0.5 A 36 ALA CA C 13 53.179 0.032 A 36 ALA CB C 13 19.46 0.021 A 36 ALA N N 15 123.843 0.034 A 37 LYS H H 1 8.739 0.054 A 37 LYS HA H 1 4.238 0.053 A 37 LYS HBy H 1 1.889 0.017 A 37 LYS HBx H 1 1.626 0.01 A 37 LYS HG2 H 1 1.425 0.05 A 37 LYS HG3 H 1 1.425 0.05 A 37 LYS C C 13 176.652 0.5 A 37 LYS CA C 13 56.659 0.047 A 37 LYS CB C 13 34.979 0.5 A 37 LYS CD C 13 28.489 0.5 A 37 LYS CE C 13 41.975 0.5 A 37 LYS CG C 13 25.02 0.5 A 37 LYS N N 15 117.112 0.041 A 38 THR H H 1 7.34 0.047 A 38 THR HA H 1 4.515 0.052 A 38 THR HG2% H 1 1.129 0.044 A 38 THR C C 13 173.974 0.5 A 38 THR CA C 13 58.511 0.089 A 38 THR CB C 13 72.797 0.097 A 38 THR CG2 C 13 21.722 0.5 A 38 THR N N 15 106.407 0.08 A 39 VAL H H 1 8.886 0.03 A 39 VAL HA H 1 2.956 0.052 A 39 VAL HB H 1 2.294 0.047 A 39 VAL HGy% H 1 0.51 0.007 A 39 VAL C C 13 176.754 0.5 A 39 VAL CA C 13 67.409 0.047 A 39 VAL CB C 13 30.821 0.5 A 39 VAL CG1 C 13 17.013 0.5 A 39 VAL N N 15 122.964 0.076 A 40 GLU H H 1 8.839 0.052 A 40 GLU HA H 1 3.865 0.042 A 40 GLU HB2 H 1 1.884 0.037 A 40 GLU HB3 H 1 1.884 0.037 A 40 GLU HG2 H 1 2.241 0.019 A 40 GLU HG3 H 1 2.241 0.019 A 40 GLU C C 13 179.345 0.5 A 40 GLU CA C 13 60.003 0.01 A 40 GLU CB C 13 28.676 0.5 A 40 GLU CG C 13 36.737 0.5 A 40 GLU N N 15 117.88 0.136 A 41 GLY H H 1 8.095 0.047 A 41 GLY HAy H 1 3.931 0.044 A 41 GLY HAx H 1 3.73 0.045 A 41 GLY C C 13 176.271 0.5 A 41 GLY CA C 13 46.388 0.012 A 41 GLY N N 15 108.686 0.02 A 42 VAL H H 1 7.772 0.032 A 42 VAL HA H 1 3.087 0.032 A 42 VAL HB H 1 1.864 0.021 A 42 VAL HGx% H 1 0.68 0.034 A 42 VAL C C 13 177.003 0.5 A 42 VAL CA C 13 67.068 0.012 A 42 VAL CB C 13 30.987 0.5 A 42 VAL CG1 C 13 22.132 0.5 A 42 VAL N N 15 123.069 0.017 A 43 TRP H H 1 7.518 0.056 A 43 TRP HA H 1 4.469 0.041 A 43 TRP HB2 H 1 3.232 0.059 A 43 TRP HB3 H 1 3.232 0.059 A 43 TRP HD1 H 1 7.074 0.017 A 43 TRP HE1 H 1 9.941 0.024 A 43 TRP HE3 H 1 7.443 0.006 A 43 TRP HH2 H 1 6.996 0.05 A 43 TRP HZ3 H 1 7.059 0.007 A 43 TRP C C 13 179.023 0.5 A 43 TRP CA C 13 59.134 0.025 A 43 TRP CB C 13 29.437 0.041 A 43 TRP CD1 C 13 127.313 0.5 A 43 TRP CE3 C 13 120.295 0.5 A 43 TRP CH2 C 13 121.333 0.5 A 43 TRP CZ3 C 13 124.149 0.5 A 43 TRP N N 15 118.322 0.076 A 43 TRP NE1 N 15 128.123 0.5 A 44 THR H H 1 8.408 0.043 A 44 THR HA H 1 3.971 0.026 A 44 THR HB H 1 4.124 0.025 A 44 THR HG2% H 1 1.258 0.02 A 44 THR C C 13 177.047 0.5 A 44 THR CA C 13 66.396 0.034 A 44 THR CB C 13 69.069 0.006 A 44 THR CG2 C 13 21.546 0.5 A 44 THR N N 15 114.912 0.024 A 45 LEU H H 1 7.862 0.025 A 45 LEU HA H 1 3.584 0.04 A 45 LEU HB2 H 1 1.676 0.015 A 45 LEU HB3 H 1 1.676 0.015 A 45 LEU HDx% H 1 0.731 0.046 A 45 LEU HG H 1 1.424 0.001 A 45 LEU C C 13 178.189 0.5 A 45 LEU CA C 13 57.671 0.048 A 45 LEU CB C 13 42.389 0.037 A 45 LEU CG C 13 24.474 0.5 A 45 LEU N N 15 123.153 0.033 A 46 LYS H H 1 8.569 0.037 A 46 LYS HA H 1 3.587 0.036 A 46 LYS HE2 H 1 2.508 0.05 A 46 LYS HE3 H 1 2.508 0.05 A 46 LYS HG2 H 1 1.486 0.047 A 46 LYS HG3 H 1 1.486 0.047 A 46 LYS C C 13 177.354 0.5 A 46 LYS CA C 13 60.799 0.5 A 46 LYS CB C 13 30.79 0.08 A 46 LYS CG C 13 24.122 0.5 A 46 LYS N N 15 119.398 0.038 A 47 ASP H H 1 7.694 0.041 A 47 ASP HA H 1 4.325 0.03 A 47 ASP HB2 H 1 2.576 0.029 A 47 ASP HB3 H 1 2.576 0.029 A 47 ASP C C 13 179.023 0.5 A 47 ASP CA C 13 57.107 0.5 A 47 ASP CB C 13 40.292 0.022 A 47 ASP N N 15 116.887 0.021 A 48 GLU H H 1 7.931 0.028 A 48 GLU HA H 1 3.773 0.019 A 48 GLU HB2 H 1 1.952 0.033 A 48 GLU HB3 H 1 1.952 0.033 A 48 GLU HG2 H 1 2.054 0.012 A 48 GLU HG3 H 1 2.054 0.012 A 48 GLU C C 13 179.125 0.5 A 48 GLU CA C 13 59.422 0.043 A 48 GLU CB C 13 29.598 0.018 A 48 GLU CG C 13 36.271 0.5 A 48 GLU N N 15 121.719 0.009 A 49 ILE H H 1 8.553 0.044 A 49 ILE HA H 1 3.424 0.037 A 49 ILE HB H 1 1.633 0.024 A 49 ILE HD1% H 1 0.672 0.03 A 49 ILE HG2% H 1 0.548 0.02 A 49 ILE C C 13 178.262 0.5 A 49 ILE CA C 13 64.372 0.073 A 49 ILE CB C 13 38.278 0.022 A 49 ILE CD1 C 13 13.819 0.5 A 49 ILE CG1 C 13 25.937 0.5 A 49 ILE CG2 C 13 19.204 0.5 A 49 ILE N N 15 120.672 0.256 A 50 LEU H H 1 7.831 0.03 A 50 LEU HA H 1 3.795 0.04 A 50 LEU HBy H 1 1.691 0.004 A 50 LEU HBx H 1 1.362 0.026 A 50 LEU HDx% H 1 0.708 0.039 A 50 LEU HG H 1 1.461 0.05 A 50 LEU C C 13 178.247 0.5 A 50 LEU CA C 13 57.039 0.036 A 50 LEU CB C 13 41.815 0.5 A 50 LEU CD1 C 13 25.82 0.5 A 50 LEU CG C 13 26.523 0.5 A 50 LEU N N 15 117.81 0.02 A 51 THR H H 1 7.56 0.041 A 51 THR HA H 1 4.066 0.058 A 51 THR HB H 1 4.348 0.046 A 51 THR HG2% H 1 1.031 0.047 A 51 THR C C 13 175.276 0.5 A 51 THR CA C 13 63.281 0.065 A 51 THR CB C 13 69.695 0.006 A 51 THR CG2 C 13 21.276 0.5 A 51 THR N N 15 110.196 0.037 A 52 PHE H H 1 7.744 0.029 A 52 PHE HA H 1 4.484 0.045 A 52 PHE HB2 H 1 2.998 0.029 A 52 PHE HB3 H 1 2.998 0.029 A 52 PHE HD1 H 1 6.966 0.016 A 52 PHE HD2 H 1 6.966 0.016 A 52 PHE HE1 H 1 7.142 0.019 A 52 PHE HE2 H 1 7.142 0.019 A 52 PHE C C 13 176.549 0.5 A 52 PHE CA C 13 57.742 0.059 A 52 PHE CB C 13 37.819 0.057 A 52 PHE CD1 C 13 130.853 0.5 A 52 PHE CD2 C 13 130.853 0.5 A 52 PHE CE1 C 13 131.634 0.5 A 52 PHE CE2 C 13 131.634 0.5 A 52 PHE N N 15 120.944 0.045 A 53 THR H H 1 8.028 0.02 A 53 THR HA H 1 4.085 0.02 A 53 THR HB H 1 4.146 0.028 A 53 THR HG2% H 1 1.004 0.035 A 53 THR C C 13 174.471 0.5 A 53 THR CA C 13 62.33 0.054 A 53 THR CB C 13 69.725 0.053 A 53 THR CG2 C 13 21.605 0.5 A 53 THR N N 15 113.551 0.028 A 54 VAL H H 1 7.827 0.038 A 54 VAL HA H 1 4.047 0.025 A 54 VAL HB H 1 1.93 0.037 A 54 VAL HGx% H 1 0.825 0.016 A 54 VAL C C 13 176.067 0.5 A 54 VAL CA C 13 62.299 0.059 A 54 VAL CB C 13 32.633 0.041 A 54 VAL CG1 C 13 21.019 0.5 A 54 VAL N N 15 122.128 0.021 A 55 THR H H 1 8.233 0.022 A 55 THR HA H 1 4.212 0.056 A 55 THR HG2% H 1 1.083 0.001 A 55 THR C C 13 173.647 0.5 A 55 THR CA C 13 61.62 0.041 A 55 THR CB C 13 69.862 0.5 A 55 THR CG2 C 13 21.525 0.5 A 55 THR N N 15 118.471 0.034 A 56 GLU H H 1 7.98 0.034 A 56 GLU CA C 13 58.113 0.5 A 56 GLU CB C 13 30.985 0.5 A 56 GLU N N 15 128.443 0.025 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 2 THR HA A 2 THR HB 1.0 1.8 3.0 2 2 A 2 THR HA A 2 THR HG2% 1.0 1.8 3.0 3 3 A 2 THR HA A 2 THR H 1.0 1.8 4.0 4 4 A 2 THR HA A 4 LYS H 1.0 1.8 4.0 5 5 A 2 THR HA A 2 THR HB 1.0 1.8 4.0 6 6 A 2 THR HB A 2 THR HG2% 1.0 1.8 3.0 7 7 A 2 THR HB A 3 TYR HB2 1.0 1.8 5.5 8 7 A 2 THR HB A 3 TYR HB3 1.0 1.8 5.5 9 8 A 2 THR HB A 3 TYR H 1.0 1.8 4.0 10 9 A 2 THR HB A 4 LYS HB2 1.0 1.8 4.0 11 9 A 2 THR HB A 4 LYS HB3 1.0 1.8 4.0 12 10 A 2 THR HA A 2 THR HG2% 1.0 1.8 3.0 13 11 A 2 THR HB A 2 THR HG2% 1.0 1.8 3.0 14 12 A 3 TYR HA A 3 TYR HB2 1.0 1.8 3.0 15 12 A 3 TYR HB3 A 3 TYR HA 1.0 1.8 3.0 16 13 A 3 TYR HA A 3 TYR HD% 1.0 2.8 6.0 17 14 A 3 TYR HA A 5 LEU H 1.0 1.8 5.5 18 15 A 3 TYR HA A 3 TYR HB2 1.0 1.8 3.0 19 15 A 3 TYR HB3 A 3 TYR HA 1.0 1.8 3.0 20 16 A 3 TYR HD% A 3 TYR HB2 1.0 1.8 4.0 21 16 A 3 TYR HB3 A 3 TYR HD% 1.0 1.8 4.0 22 17 A 3 TYR HD% A 4 LYS HA 1.0 1.8 5.5 23 18 A 3 TYR H A 4 LYS HA 1.0 1.8 5.5 24 19 A 4 LYS HA A 4 LYS HB2 1.0 1.8 3.0 25 19 A 4 LYS HB3 A 4 LYS HA 1.0 1.8 3.0 26 20 A 4 LYS HA A 4 LYS HG2 1.0 1.8 3.0 27 20 A 4 LYS HA A 4 LYS HG3 1.0 1.8 3.0 28 21 A 4 LYS H A 4 LYS HA 1.0 1.8 4.0 29 22 A 4 LYS HA A 4 LYS HB2 1.0 1.8 5.5 30 22 A 4 LYS HB3 A 4 LYS HA 1.0 1.8 5.5 31 23 A 4 LYS HB3 A 4 LYS HG2 1.0 1.8 4.0 32 23 A 4 LYS HG3 A 4 LYS HB2 1.0 1.8 4.0 33 23 A 4 LYS HB3 A 4 LYS HG3 1.0 1.8 4.0 34 23 A 4 LYS HB2 A 4 LYS HG2 1.0 1.8 4.0 35 24 A 4 LYS HB3 A 4 LYS HG2 1.0 1.8 3.0 36 24 A 4 LYS HG3 A 4 LYS HB2 1.0 1.8 3.0 37 24 A 4 LYS HB3 A 4 LYS HG3 1.0 1.8 3.0 38 24 A 4 LYS HB2 A 4 LYS HG2 1.0 1.8 3.0 39 25 A 5 LEU HA A 4 LYS HE2 1.0 1.8 4.0 40 25 A 5 LEU HA A 4 LYS HE3 1.0 1.8 4.0 41 26 A 5 LEU HA A 5 LEU HB2 1.0 1.8 3.0 42 26 A 5 LEU HA A 5 LEU HB3 1.0 1.8 3.0 43 27 A 5 LEU HA A 5 LEU HDx% 1.0 1.8 4.0 44 28 A 5 LEU H A 5 LEU HA 1.0 1.8 3.0 45 29 A 5 LEU HA A 5 LEU HB2 1.0 1.8 4.0 46 29 A 5 LEU HA A 5 LEU HB3 1.0 1.8 4.0 47 30 A 5 LEU HDx% A 5 LEU HB2 1.0 1.8 3.0 48 30 A 5 LEU HB3 A 5 LEU HDx% 1.0 1.8 3.0 49 31 A 5 LEU H A 5 LEU HB2 1.0 1.8 4.0 50 31 A 5 LEU H A 5 LEU HB3 1.0 1.8 4.0 51 32 A 3 TYR H A 5 LEU HDx% 1.0 1.8 4.0 52 33 A 4 LYS H A 5 LEU HDx% 1.0 1.8 4.0 53 34 A 5 LEU HDx% A 5 LEU HB2 1.0 1.8 5.5 54 34 A 5 LEU HB3 A 5 LEU HDx% 1.0 1.8 5.5 55 35 A 6 ILE HA A 6 ILE HB 1.0 1.8 4.0 56 36 A 6 ILE HA A 6 ILE HG12 1.0 1.8 4.0 57 36 A 6 ILE HA A 6 ILE HG13 1.0 1.8 4.0 58 37 A 6 ILE HA A 6 ILE HG2% 1.0 1.8 4.0 59 38 A 6 ILE HA A 6 ILE H 1.0 1.8 4.0 60 39 A 6 ILE HA A 6 ILE HB 1.0 1.8 4.0 61 40 A 6 ILE HB A 6 ILE HD1% 1.0 1.8 3.0 62 41 A 6 ILE HB A 6 ILE HG12 1.0 1.8 3.0 63 41 A 6 ILE HB A 6 ILE HG13 1.0 1.8 3.0 64 42 A 6 ILE HB A 6 ILE HG2% 1.0 1.8 4.0 65 43 A 6 ILE HB A 6 ILE H 1.0 1.8 4.0 66 44 A 6 ILE HG2% A 6 ILE HD1% 1.0 1.8 5.5 67 45 A 6 ILE HA A 6 ILE HG12 1.0 1.8 4.0 68 45 A 6 ILE HA A 6 ILE HG13 1.0 1.8 4.0 69 46 A 6 ILE HB A 6 ILE HG12 1.0 1.8 4.0 70 46 A 6 ILE HB A 6 ILE HG13 1.0 1.8 4.0 71 47 A 6 ILE HD1% A 6 ILE HG12 1.0 1.8 3.0 72 47 A 6 ILE HG13 A 6 ILE HD1% 1.0 1.8 3.0 73 48 A 6 ILE HG2% A 6 ILE HG12 1.0 1.8 3.0 74 48 A 6 ILE HG13 A 6 ILE HG2% 1.0 1.8 3.0 75 49 A 6 ILE HG2% A 6 ILE HD1% 1.0 1.8 3.0 76 50 A 6 ILE HG2% A 6 ILE HG12 1.0 1.8 3.0 77 50 A 6 ILE HG13 A 6 ILE HG2% 1.0 1.8 3.0 78 51 A 7 LEU HA A 7 LEU HB2 1.0 1.8 4.0 79 51 A 7 LEU HA A 7 LEU HB3 1.0 1.8 4.0 80 52 A 7 LEU HA A 7 LEU H 1.0 1.8 4.0 81 53 A 7 LEU HA A 7 LEU HB2 1.0 1.8 4.0 82 53 A 7 LEU HA A 7 LEU HB3 1.0 1.8 4.0 83 54 A 7 LEU HDx% A 7 LEU HB2 1.0 1.8 3.0 84 54 A 7 LEU HB3 A 7 LEU HDx% 1.0 1.8 3.0 85 55 A 7 LEU H A 7 LEU HB2 1.0 1.8 4.0 86 55 A 7 LEU HB3 A 7 LEU H 1.0 1.8 4.0 87 56 A 8 ASN HA A 8 ASN HB2 1.0 1.8 4.0 88 56 A 8 ASN HB3 A 8 ASN HA 1.0 1.8 4.0 89 57 A 8 ASN H A 8 ASN HB2 1.0 1.8 4.0 90 57 A 8 ASN HB3 A 8 ASN H 1.0 1.8 4.0 91 58 A 9 LEU HA A 9 LEU HBx 1.0 1.8 3.0 92 59 A 9 LEU HA A 9 LEU HBy 1.0 1.8 3.0 93 60 A 9 LEU HA A 9 LEU HDx% 1.0 1.8 4.0 94 61 A 9 LEU HA A 9 LEU HDy% 1.0 1.8 4.0 95 62 A 9 LEU HA A 13 LYS H 1.0 1.8 4.0 96 63 A 9 LEU HA A 39 VAL HGy% 1.0 1.8 3.0 97 64 A 9 LEU HA A 9 LEU HBx 1.0 1.8 4.0 98 65 A 9 LEU HA A 9 LEU HBy 1.0 1.8 5.5 99 66 A 9 LEU HBx A 9 LEU HBy 1.0 1.8 4.0 100 67 A 9 LEU HBx A 9 LEU HBy 1.0 1.8 3.0 101 68 A 9 LEU HBx A 9 LEU HDx% 1.0 1.8 3.0 102 69 A 9 LEU HBy A 9 LEU HDx% 1.0 1.8 5.5 103 70 A 9 LEU HBx A 9 LEU HDy% 1.0 1.8 4.0 104 71 A 9 LEU HBy A 9 LEU HDy% 1.0 1.8 4.0 105 72 A 9 LEU HBx A 13 LYS H 1.0 2.3 6.0 106 73 A 9 LEU HBy A 13 LYS H 1.0 2.3 6.0 107 74 A 9 LEU HBx A 9 LEU HDx% 1.0 1.8 3.0 108 75 A 9 LEU HBy A 9 LEU HDx% 1.0 1.8 3.0 109 76 A 9 LEU HDx% A 9 LEU HDy% 1.0 1.8 3.0 110 77 A 9 LEU HDx% A 9 LEU H 1.0 1.8 4.0 111 78 A 10 LYS HA A 10 LYS HB2 1.0 1.8 3.0 112 78 A 10 LYS HA A 10 LYS HB3 1.0 1.8 3.0 113 79 A 10 LYS HA A 10 LYS HG2 1.0 1.8 3.0 114 79 A 10 LYS HA A 10 LYS HG3 1.0 1.8 3.0 115 80 A 10 LYS HA A 11 GLN H 1.0 1.8 4.0 116 81 A 10 LYS HA A 10 LYS HB2 1.0 1.8 3.0 117 81 A 10 LYS HA A 10 LYS HB3 1.0 1.8 3.0 118 82 A 10 LYS HB2 A 10 LYS HG2 1.0 1.8 3.0 119 82 A 10 LYS HB3 A 10 LYS HG2 1.0 1.8 3.0 120 82 A 10 LYS HG3 A 10 LYS HB2 1.0 1.8 3.0 121 82 A 10 LYS HB3 A 10 LYS HG3 1.0 1.8 3.0 122 83 A 10 LYS H A 10 LYS HB2 1.0 1.8 4.0 123 83 A 10 LYS HB3 A 10 LYS H 1.0 1.8 4.0 124 84 A 11 GLN H A 10 LYS HB2 1.0 1.8 4.0 125 84 A 10 LYS HB3 A 11 GLN H 1.0 1.8 4.0 126 85 A 10 LYS HA A 10 LYS HG2 1.0 1.8 4.0 127 85 A 10 LYS HA A 10 LYS HG3 1.0 1.8 4.0 128 86 A 10 LYS HB2 A 10 LYS HG2 1.0 1.8 3.0 129 86 A 10 LYS HB3 A 10 LYS HG2 1.0 1.8 3.0 130 86 A 10 LYS HG3 A 10 LYS HB2 1.0 1.8 3.0 131 86 A 10 LYS HB3 A 10 LYS HG3 1.0 1.8 3.0 132 87 A 10 LYS H A 10 LYS HG2 1.0 1.8 5.5 133 87 A 10 LYS HG3 A 10 LYS H 1.0 1.8 5.5 134 88 A 11 GLN HA A 11 GLN HB2 1.0 1.8 3.0 135 88 A 11 GLN HA A 11 GLN HB3 1.0 1.8 3.0 136 89 A 11 GLN HA A 11 GLN HG2 1.0 1.8 3.0 137 89 A 11 GLN HA A 11 GLN HG3 1.0 1.8 3.0 138 90 A 11 GLN H A 11 GLN HA 1.0 1.8 3.0 139 91 A 13 LYS H A 11 GLN HA 1.0 2.8 4.0 140 92 A 10 LYS H A 11 GLN HB2 1.0 3.3 4.5 141 92 A 10 LYS H A 11 GLN HB3 1.0 3.3 4.5 142 93 A 11 GLN HA A 11 GLN HB2 1.0 1.8 3.0 143 93 A 11 GLN HA A 11 GLN HB3 1.0 1.8 3.0 144 94 A 11 GLN HB3 A 11 GLN HG2 1.0 1.8 3.0 145 94 A 11 GLN HB2 A 11 GLN HG2 1.0 1.8 3.0 146 94 A 11 GLN HG3 A 11 GLN HB2 1.0 1.8 3.0 147 94 A 11 GLN HB3 A 11 GLN HG3 1.0 1.8 3.0 148 95 A 11 GLN H A 11 GLN HB2 1.0 1.8 4.0 149 95 A 11 GLN H A 11 GLN HB3 1.0 1.8 4.0 150 96 A 11 GLN HA A 11 GLN HG2 1.0 1.8 4.0 151 96 A 11 GLN HA A 11 GLN HG3 1.0 1.8 4.0 152 97 A 11 GLN HB2 A 11 GLN HG2 1.0 1.8 3.0 153 97 A 11 GLN HB3 A 11 GLN HG2 1.0 1.8 3.0 154 97 A 11 GLN HG3 A 11 GLN HB2 1.0 1.8 3.0 155 97 A 11 GLN HB3 A 11 GLN HG3 1.0 1.8 3.0 156 98 A 11 GLN H A 11 GLN HG2 1.0 1.8 4.0 157 98 A 11 GLN H A 11 GLN HG3 1.0 1.8 4.0 158 99 A 12 ALA HA A 12 ALA HB% 1.0 1.8 3.0 159 100 A 12 ALA HA A 12 ALA H 1.0 1.8 4.0 160 101 A 12 ALA HA A 42 VAL HGx% 1.0 2.8 4.0 161 102 A 9 LEU HA A 12 ALA HB% 1.0 1.8 3.0 162 103 A 12 ALA HA A 12 ALA HB% 1.0 1.8 3.0 163 104 A 12 ALA HB% A 12 ALA H 1.0 1.8 3.0 164 105 A 39 VAL HGy% A 12 ALA HB% 1.0 1.8 3.0 165 106 A 12 ALA HB% A 42 VAL HGx% 1.0 1.8 3.0 166 107 A 13 LYS HA A 13 LYS HB2 1.0 1.8 5.5 167 107 A 13 LYS HA A 13 LYS HB3 1.0 1.8 5.5 168 108 A 13 LYS HA A 13 LYS HD2 1.0 1.8 4.0 169 108 A 13 LYS HA A 13 LYS HD3 1.0 1.8 4.0 170 109 A 13 LYS HA A 13 LYS HG2 1.0 1.8 4.0 171 109 A 13 LYS HA A 13 LYS HG3 1.0 1.8 4.0 172 110 A 13 LYS H A 13 LYS HA 1.0 1.3 4.5 173 111 A 13 LYS HA A 33 ILE HD1% 1.0 1.8 4.0 174 112 A 42 VAL HGx% A 13 LYS HA 1.0 1.8 5.5 175 113 A 10 LYS H A 13 LYS HB2 1.0 1.8 5.5 176 113 A 10 LYS H A 13 LYS HB3 1.0 1.8 5.5 177 114 A 13 LYS HB2 A 13 LYS HD2 1.0 1.8 3.0 178 114 A 13 LYS HB3 A 13 LYS HD2 1.0 1.8 3.0 179 114 A 13 LYS HD3 A 13 LYS HB2 1.0 1.8 3.0 180 114 A 13 LYS HB3 A 13 LYS HD3 1.0 1.8 3.0 181 115 A 13 LYS HB3 A 13 LYS HG2 1.0 1.8 4.0 182 115 A 13 LYS HB2 A 13 LYS HG2 1.0 1.8 4.0 183 115 A 13 LYS HG3 A 13 LYS HB2 1.0 1.8 4.0 184 115 A 13 LYS HB3 A 13 LYS HG3 1.0 1.8 4.0 185 116 A 33 ILE HD1% A 13 LYS HB2 1.0 3.3 4.5 186 116 A 13 LYS HB3 A 33 ILE HD1% 1.0 3.3 4.5 187 117 A 34 ALA HA A 13 LYS HB2 1.0 1.8 4.0 188 117 A 13 LYS HB3 A 34 ALA HA 1.0 1.8 4.0 189 118 A 34 ALA H A 13 LYS HB2 1.0 1.8 4.0 190 118 A 13 LYS HB3 A 34 ALA H 1.0 1.8 4.0 191 119 A 14 GLU HA A 14 GLU HB2 1.0 1.8 3.0 192 119 A 14 GLU HA A 14 GLU HB3 1.0 1.8 3.0 193 120 A 14 GLU HA A 14 GLU HG2 1.0 2.3 3.5 194 120 A 14 GLU HA A 14 GLU HG3 1.0 2.3 3.5 195 121 A 14 GLU HA A 14 GLU H 1.0 1.8 4.0 196 122 A 14 GLU HA A 16 ALA H 1.0 2.3 4.5 197 123 A 11 GLN HA A 14 GLU HB2 1.0 1.8 3.0 198 123 A 11 GLN HA A 14 GLU HB3 1.0 1.8 3.0 199 124 A 12 ALA H A 14 GLU HB2 1.0 2.8 5.0 200 124 A 12 ALA H A 14 GLU HB3 1.0 2.8 5.0 201 125 A 14 GLU HA A 14 GLU HB2 1.0 1.8 3.0 202 125 A 14 GLU HA A 14 GLU HB3 1.0 1.8 3.0 203 126 A 14 GLU HB2 A 14 GLU HG2 1.0 1.8 3.0 204 126 A 14 GLU HB3 A 14 GLU HG2 1.0 1.8 3.0 205 126 A 14 GLU HG3 A 14 GLU HB2 1.0 1.8 3.0 206 126 A 14 GLU HB3 A 14 GLU HG3 1.0 1.8 3.0 207 127 A 14 GLU H A 14 GLU HB2 1.0 1.8 4.0 208 127 A 14 GLU HB3 A 14 GLU H 1.0 1.8 4.0 209 128 A 13 LYS H A 14 GLU HG2 1.0 2.3 4.5 210 128 A 13 LYS H A 14 GLU HG3 1.0 2.3 4.5 211 129 A 14 GLU HB2 A 14 GLU HG2 1.0 1.8 3.0 212 129 A 14 GLU HB3 A 14 GLU HG2 1.0 1.8 3.0 213 129 A 14 GLU HG3 A 14 GLU HB2 1.0 1.8 3.0 214 129 A 14 GLU HB3 A 14 GLU HG3 1.0 1.8 3.0 215 130 A 15 GLU HA A 15 GLU HB2 1.0 1.8 3.0 216 130 A 15 GLU HA A 15 GLU HB3 1.0 1.8 3.0 217 131 A 15 GLU HA A 15 GLU HG2 1.0 1.8 3.0 218 131 A 15 GLU HA A 15 GLU HG3 1.0 1.8 3.0 219 132 A 15 GLU HA A 15 GLU H 1.0 1.8 3.0 220 133 A 15 GLU HA A 18 LYS H 1.0 1.8 4.0 221 134 A 12 ALA H A 15 GLU HB2 1.0 3.8 5.0 222 134 A 12 ALA H A 15 GLU HB3 1.0 3.8 5.0 223 135 A 15 GLU HA A 15 GLU HB2 1.0 1.8 3.0 224 135 A 15 GLU HA A 15 GLU HB3 1.0 1.8 3.0 225 136 A 15 GLU HB2 A 15 GLU HG2 1.0 1.8 3.0 226 136 A 15 GLU HB3 A 15 GLU HG2 1.0 1.8 3.0 227 136 A 15 GLU HG3 A 15 GLU HB2 1.0 1.8 3.0 228 136 A 15 GLU HB3 A 15 GLU HG3 1.0 1.8 3.0 229 137 A 15 GLU H A 15 GLU HB2 1.0 1.8 3.0 230 137 A 15 GLU HB3 A 15 GLU H 1.0 1.8 3.0 231 138 A 15 GLU HA A 15 GLU HG2 1.0 1.8 4.0 232 138 A 15 GLU HA A 15 GLU HG3 1.0 1.8 4.0 233 139 A 15 GLU HB2 A 15 GLU HG2 1.0 1.8 3.0 234 139 A 15 GLU HB3 A 15 GLU HG2 1.0 1.8 3.0 235 139 A 15 GLU HG3 A 15 GLU HB2 1.0 1.8 3.0 236 139 A 15 GLU HB3 A 15 GLU HG3 1.0 1.8 3.0 237 140 A 20 LEU H A 15 GLU HG2 1.0 4.3 6.5 238 140 A 15 GLU HG3 A 20 LEU H 1.0 4.3 6.5 239 141 A 13 LYS HA A 16 ALA HA 1.0 2.8 5.0 240 142 A 16 ALA HA A 15 GLU HB2 1.0 1.8 4.0 241 142 A 15 GLU HB3 A 16 ALA HA 1.0 1.8 4.0 242 143 A 16 ALA HA A 16 ALA HB% 1.0 1.8 3.0 243 144 A 16 ALA H A 16 ALA HA 1.0 1.8 4.0 244 145 A 16 ALA HA A 16 ALA HB% 1.0 1.8 3.0 245 146 A 16 ALA H A 16 ALA HB% 1.0 1.8 4.0 246 147 A 42 VAL HGx% A 16 ALA HB% 1.0 2.3 3.5 247 148 A 16 ALA HB% A 46 LYS HG2 1.0 1.8 3.0 248 148 A 16 ALA HB% A 46 LYS HG3 1.0 1.8 3.0 249 149 A 17 ILE HA A 17 ILE HB 1.0 1.8 4.0 250 150 A 17 ILE HA A 17 ILE HD1% 1.0 1.8 3.0 251 151 A 17 ILE HA A 17 ILE H 1.0 1.8 5.5 252 152 A 20 LEU H A 17 ILE HA 1.0 1.8 5.5 253 153 A 17 ILE HA A 30 ILE HA 1.0 2.3 4.5 254 154 A 14 GLU HA A 17 ILE HB 1.0 1.8 4.0 255 155 A 17 ILE HA A 17 ILE HB 1.0 1.8 4.0 256 156 A 17 ILE HB A 17 ILE HD1% 1.0 2.3 3.5 257 157 A 17 ILE HB A 17 ILE H 1.0 1.8 4.0 258 158 A 18 LYS H A 17 ILE HB 1.0 1.8 4.0 259 159 A 17 ILE HA A 18 LYS HA 1.0 3.8 5.0 260 160 A 18 LYS HA A 18 LYS HB2 1.0 1.8 3.0 261 160 A 18 LYS HA A 18 LYS HB3 1.0 1.8 3.0 262 161 A 18 LYS HA A 18 LYS HG2 1.0 1.8 3.0 263 161 A 18 LYS HA A 18 LYS HG3 1.0 1.8 3.0 264 162 A 18 LYS H A 18 LYS HA 1.0 1.8 4.0 265 163 A 18 LYS HA A 19 GLU H 1.0 1.8 4.0 266 164 A 18 LYS HA A 22 ASP H 1.0 1.8 4.0 267 165 A 15 GLU HA A 18 LYS HB2 1.0 1.8 3.0 268 165 A 15 GLU HA A 18 LYS HB3 1.0 1.8 3.0 269 166 A 18 LYS HA A 18 LYS HB2 1.0 1.8 3.0 270 166 A 18 LYS HA A 18 LYS HB3 1.0 1.8 3.0 271 167 A 18 LYS HB2 A 18 LYS HE2 1.0 1.8 4.0 272 167 A 18 LYS HB3 A 18 LYS HE2 1.0 1.8 4.0 273 167 A 18 LYS HE3 A 18 LYS HB2 1.0 1.8 4.0 274 167 A 18 LYS HB3 A 18 LYS HE3 1.0 1.8 4.0 275 168 A 18 LYS HB3 A 18 LYS HG2 1.0 1.8 3.0 276 168 A 18 LYS HB2 A 18 LYS HG2 1.0 1.8 3.0 277 168 A 18 LYS HG3 A 18 LYS HB2 1.0 1.8 3.0 278 168 A 18 LYS HB3 A 18 LYS HG3 1.0 1.8 3.0 279 169 A 18 LYS H A 18 LYS HB2 1.0 1.8 3.0 280 169 A 18 LYS H A 18 LYS HB3 1.0 1.8 3.0 281 170 A 18 LYS HA A 18 LYS HG2 1.0 1.8 4.0 282 170 A 18 LYS HA A 18 LYS HG3 1.0 1.8 4.0 283 171 A 18 LYS HB3 A 18 LYS HG2 1.0 1.8 3.0 284 171 A 18 LYS HB2 A 18 LYS HG2 1.0 1.8 3.0 285 171 A 18 LYS HG3 A 18 LYS HB2 1.0 1.8 3.0 286 171 A 18 LYS HB3 A 18 LYS HG3 1.0 1.8 3.0 287 172 A 18 LYS HE3 A 18 LYS HG2 1.0 1.8 3.0 288 172 A 18 LYS HE2 A 18 LYS HG2 1.0 1.8 3.0 289 172 A 18 LYS HG3 A 18 LYS HE2 1.0 1.8 3.0 290 172 A 18 LYS HG3 A 18 LYS HE3 1.0 1.8 3.0 291 173 A 19 GLU H A 18 LYS HG2 1.0 1.8 5.5 292 173 A 18 LYS HG3 A 19 GLU H 1.0 1.8 5.5 293 174 A 19 GLU HA A 19 GLU HB2 1.0 1.8 3.0 294 174 A 19 GLU HA A 19 GLU HB3 1.0 1.8 3.0 295 175 A 19 GLU HA A 19 GLU HG2 1.0 1.8 3.0 296 175 A 19 GLU HA A 19 GLU HG3 1.0 1.8 3.0 297 176 A 19 GLU H A 19 GLU HA 1.0 1.8 3.0 298 177 A 19 GLU HA A 23 ALA H 1.0 1.8 4.0 299 178 A 16 ALA HA A 19 GLU HB2 1.0 1.8 3.0 300 178 A 16 ALA HA A 19 GLU HB3 1.0 1.8 3.0 301 179 A 18 LYS H A 19 GLU HB2 1.0 2.3 4.5 302 179 A 18 LYS H A 19 GLU HB3 1.0 2.3 4.5 303 180 A 19 GLU HA A 19 GLU HB2 1.0 1.8 3.0 304 180 A 19 GLU HA A 19 GLU HB3 1.0 1.8 3.0 305 181 A 19 GLU HB2 A 19 GLU HG2 1.0 1.8 3.0 306 181 A 19 GLU HB3 A 19 GLU HG2 1.0 1.8 3.0 307 181 A 19 GLU HG3 A 19 GLU HB2 1.0 1.8 3.0 308 181 A 19 GLU HB3 A 19 GLU HG3 1.0 1.8 3.0 309 182 A 19 GLU H A 19 GLU HB2 1.0 1.8 4.0 310 182 A 19 GLU H A 19 GLU HB3 1.0 1.8 4.0 311 183 A 19 GLU HB3 A 46 LYS HG2 1.0 1.8 3.0 312 183 A 19 GLU HB2 A 46 LYS HG2 1.0 1.8 3.0 313 183 A 46 LYS HG3 A 19 GLU HB2 1.0 1.8 3.0 314 183 A 46 LYS HG3 A 19 GLU HB3 1.0 1.8 3.0 315 184 A 19 GLU HA A 19 GLU HG2 1.0 1.8 4.0 316 184 A 19 GLU HA A 19 GLU HG3 1.0 1.8 4.0 317 185 A 19 GLU HB3 A 19 GLU HG2 1.0 1.8 3.0 318 185 A 19 GLU HB2 A 19 GLU HG2 1.0 1.8 3.0 319 185 A 19 GLU HG3 A 19 GLU HB2 1.0 1.8 3.0 320 185 A 19 GLU HB3 A 19 GLU HG3 1.0 1.8 3.0 321 186 A 19 GLU H A 19 GLU HG2 1.0 1.8 4.0 322 186 A 19 GLU H A 19 GLU HG3 1.0 1.8 4.0 323 187 A 47 ASP H A 19 GLU HG2 1.0 2.8 5.0 324 187 A 19 GLU HG3 A 47 ASP H 1.0 2.8 5.0 325 188 A 20 LEU HA A 20 LEU HB2 1.0 1.8 3.0 326 188 A 20 LEU HA A 20 LEU HB3 1.0 1.8 3.0 327 189 A 20 LEU HA A 20 LEU HDx% 1.0 1.8 3.0 328 190 A 20 LEU HA A 20 LEU HG 1.0 2.3 3.5 329 191 A 20 LEU H A 20 LEU HA 1.0 1.8 4.0 330 192 A 22 ASP H A 20 LEU HA 1.0 1.8 4.0 331 193 A 23 ALA H A 20 LEU HA 1.0 1.8 4.0 332 194 A 20 LEU HA A 50 LEU HDx% 1.0 1.8 3.0 333 195 A 20 LEU HA A 20 LEU HB2 1.0 1.8 5.5 334 195 A 20 LEU HA A 20 LEU HB3 1.0 1.8 5.5 335 196 A 20 LEU HDx% A 20 LEU HB2 1.0 1.8 3.0 336 196 A 20 LEU HB3 A 20 LEU HDx% 1.0 1.8 3.0 337 197 A 20 LEU HG A 20 LEU HB2 1.0 1.8 4.0 338 197 A 20 LEU HB3 A 20 LEU HG 1.0 1.8 4.0 339 198 A 20 LEU H A 20 LEU HB2 1.0 1.8 5.5 340 198 A 20 LEU H A 20 LEU HB3 1.0 1.8 5.5 341 199 A 30 ILE HA A 20 LEU HB2 1.0 1.8 5.5 342 199 A 30 ILE HA A 20 LEU HB3 1.0 1.8 5.5 343 200 A 20 LEU HA A 20 LEU HDx% 1.0 1.8 3.0 344 201 A 20 LEU HDx% A 20 LEU HB2 1.0 1.8 4.0 345 201 A 20 LEU HB3 A 20 LEU HDx% 1.0 1.8 4.0 346 202 A 20 LEU HDx% A 20 LEU HG 1.0 1.8 3.0 347 203 A 20 LEU HDx% A 20 LEU HG 1.0 1.8 3.0 348 204 A 20 LEU HG A 27 GLU HA 1.0 1.8 5.5 349 205 A 20 LEU HG A 29 TYR HBy 1.0 1.8 5.5 350 206 A 21 VAL HA A 21 VAL HB 1.0 1.8 4.0 351 207 A 21 VAL HA A 21 VAL HGx% 1.0 1.8 3.0 352 208 A 21 VAL HA A 21 VAL H 1.0 1.8 5.5 353 209 A 18 LYS HA A 21 VAL HB 1.0 1.8 4.0 354 210 A 19 GLU H A 21 VAL HB 1.0 2.8 5.0 355 211 A 21 VAL HA A 21 VAL HB 1.0 1.8 4.0 356 212 A 21 VAL HB A 21 VAL HGx% 1.0 1.8 3.0 357 213 A 21 VAL HB A 21 VAL H 1.0 1.8 4.0 358 214 A 21 VAL HB A 22 ASP HB2 1.0 1.8 5.5 359 214 A 21 VAL HB A 22 ASP HB3 1.0 1.8 5.5 360 215 A 21 VAL HA A 22 ASP HA 1.0 2.3 4.5 361 216 A 22 ASP HA A 22 ASP HB2 1.0 1.8 3.0 362 216 A 22 ASP HB3 A 22 ASP HA 1.0 1.8 3.0 363 217 A 22 ASP H A 22 ASP HA 1.0 1.8 4.0 364 218 A 23 ALA H A 22 ASP HA 1.0 1.8 4.0 365 219 A 19 GLU HA A 22 ASP HB2 1.0 1.8 4.0 366 219 A 19 GLU HA A 22 ASP HB3 1.0 1.8 4.0 367 220 A 22 ASP HA A 22 ASP HB2 1.0 1.8 3.0 368 220 A 22 ASP HB3 A 22 ASP HA 1.0 1.8 3.0 369 221 A 23 ALA H A 22 ASP HB2 1.0 1.8 4.0 370 221 A 23 ALA H A 22 ASP HB3 1.0 1.8 4.0 371 222 A 20 LEU HA A 23 ALA HA 1.0 2.8 5.0 372 223 A 23 ALA HA A 23 ALA HB% 1.0 1.8 3.0 373 224 A 23 ALA H A 23 ALA HA 1.0 1.8 4.0 374 225 A 20 LEU HA A 23 ALA HB% 1.0 1.8 3.0 375 226 A 23 ALA HA A 23 ALA HB% 1.0 1.8 3.0 376 227 A 23 ALA H A 23 ALA HB% 1.0 1.8 3.0 377 228 A 23 ALA H A 24 GLY HAx 1.0 2.8 5.0 378 229 A 23 ALA H A 24 GLY HAy 1.0 1.8 5.5 379 230 A 24 GLY HAx A 24 GLY HAy 1.0 1.8 3.0 380 231 A 24 GLY HAx A 24 GLY HAy 1.0 1.8 3.0 381 232 A 24 GLY HAx A 24 GLY H 1.0 1.8 4.0 382 233 A 24 GLY HAy A 24 GLY H 1.0 1.8 4.0 383 234 A 25 ILE HA A 25 ILE HB 1.0 1.8 3.0 384 235 A 25 ILE HA A 25 ILE HG12 1.0 2.8 4.0 385 235 A 25 ILE HA A 25 ILE HG13 1.0 2.8 4.0 386 236 A 25 ILE HA A 25 ILE H 1.0 1.8 4.0 387 237 A 25 ILE HA A 26 ALA H 1.0 1.8 3.0 388 238 A 25 ILE HA A 27 GLU H 1.0 2.8 5.0 389 239 A 25 ILE HA A 25 ILE HB 1.0 1.8 5.5 390 240 A 25 ILE HB A 25 ILE HG12 1.0 1.8 3.0 391 240 A 25 ILE HB A 25 ILE HG13 1.0 1.8 3.0 392 241 A 25 ILE HB A 25 ILE H 1.0 1.8 4.0 393 242 A 23 ALA H A 25 ILE HG12 1.0 1.8 5.5 394 242 A 23 ALA H A 25 ILE HG13 1.0 1.8 5.5 395 243 A 25 ILE HA A 25 ILE HG12 1.0 1.8 5.5 396 243 A 25 ILE HA A 25 ILE HG13 1.0 1.8 5.5 397 244 A 25 ILE HB A 25 ILE HG12 1.0 1.8 4.0 398 244 A 25 ILE HB A 25 ILE HG13 1.0 1.8 4.0 399 245 A 26 ALA HA A 26 ALA HB% 1.0 1.8 3.0 400 246 A 26 ALA H A 26 ALA HA 1.0 1.8 3.0 401 247 A 27 GLU HA A 26 ALA HA 1.0 3.8 5.0 402 248 A 25 ILE HB A 26 ALA HB% 1.0 2.3 3.5 403 249 A 26 ALA HA A 26 ALA HB% 1.0 1.8 3.0 404 250 A 26 ALA H A 26 ALA HB% 1.0 1.8 3.0 405 251 A 26 ALA HB% A 28 LYS HG2 1.0 2.3 3.5 406 251 A 26 ALA HB% A 28 LYS HG3 1.0 2.3 3.5 407 252 A 26 ALA HB% A 29 TYR HD% 1.0 1.8 4.0 408 253 A 20 LEU HDx% A 27 GLU HA 1.0 2.8 4.0 409 254 A 27 GLU HA A 26 ALA HA 1.0 3.3 5.5 410 255 A 27 GLU HA A 26 ALA H 1.0 3.3 5.5 411 256 A 27 GLU HA A 27 GLU HB2 1.0 1.8 3.0 412 256 A 27 GLU HA A 27 GLU HB3 1.0 1.8 3.0 413 257 A 27 GLU HA A 27 GLU HG2 1.0 1.8 5.5 414 257 A 27 GLU HA A 27 GLU HG3 1.0 1.8 5.5 415 258 A 27 GLU HA A 27 GLU H 1.0 1.8 4.0 416 259 A 27 GLU HA A 29 TYR H 1.0 1.8 4.0 417 260 A 27 GLU HA A 31 LYS H 1.0 2.8 5.0 418 261 A 27 GLU HA A 27 GLU HB2 1.0 1.8 3.0 419 261 A 27 GLU HA A 27 GLU HB3 1.0 1.8 3.0 420 262 A 27 GLU HB2 A 27 GLU HG2 1.0 1.8 3.0 421 262 A 27 GLU HB3 A 27 GLU HG2 1.0 1.8 3.0 422 262 A 27 GLU HG3 A 27 GLU HB2 1.0 1.8 3.0 423 262 A 27 GLU HB3 A 27 GLU HG3 1.0 1.8 3.0 424 263 A 27 GLU H A 27 GLU HB2 1.0 1.8 4.0 425 263 A 27 GLU H A 27 GLU HB3 1.0 1.8 4.0 426 264 A 27 GLU HB2 A 27 GLU HG2 1.0 1.8 3.0 427 264 A 27 GLU HB3 A 27 GLU HG2 1.0 1.8 3.0 428 264 A 27 GLU HG3 A 27 GLU HB2 1.0 1.8 3.0 429 264 A 27 GLU HB3 A 27 GLU HG3 1.0 1.8 3.0 430 265 A 27 GLU H A 27 GLU HG2 1.0 1.8 4.0 431 265 A 27 GLU H A 27 GLU HG3 1.0 1.8 4.0 432 266 A 28 LYS HA A 28 LYS HB2 1.0 1.8 3.0 433 266 A 28 LYS HA A 28 LYS HB3 1.0 1.8 3.0 434 267 A 28 LYS HA A 28 LYS HD2 1.0 1.8 3.0 435 267 A 28 LYS HA A 28 LYS HD3 1.0 1.8 3.0 436 268 A 28 LYS HA A 28 LYS HG2 1.0 1.8 3.0 437 268 A 28 LYS HG3 A 28 LYS HA 1.0 1.8 3.0 438 269 A 28 LYS HA A 28 LYS HB2 1.0 1.8 4.0 439 269 A 28 LYS HA A 28 LYS HB3 1.0 1.8 4.0 440 270 A 28 LYS HB2 A 28 LYS HD2 1.0 1.8 5.5 441 270 A 28 LYS HD3 A 28 LYS HB2 1.0 1.8 5.5 442 270 A 28 LYS HB3 A 28 LYS HD3 1.0 1.8 5.5 443 270 A 28 LYS HB3 A 28 LYS HD2 1.0 1.8 5.5 444 271 A 28 LYS HB2 A 28 LYS HG2 1.0 1.8 5.5 445 271 A 28 LYS HB3 A 28 LYS HG2 1.0 1.8 5.5 446 271 A 28 LYS HG3 A 28 LYS HB2 1.0 1.8 5.5 447 271 A 28 LYS HG3 A 28 LYS HB3 1.0 1.8 5.5 448 272 A 28 LYS H A 28 LYS HB2 1.0 1.8 5.5 449 272 A 28 LYS HB3 A 28 LYS H 1.0 1.8 5.5 450 273 A 28 LYS HB3 A 28 LYS HD2 1.0 1.8 3.0 451 273 A 28 LYS HB2 A 28 LYS HD2 1.0 1.8 3.0 452 273 A 28 LYS HD3 A 28 LYS HB2 1.0 1.8 3.0 453 273 A 28 LYS HB3 A 28 LYS HD3 1.0 1.8 3.0 454 274 A 28 LYS HD3 A 28 LYS HG2 1.0 1.8 3.0 455 274 A 28 LYS HD2 A 28 LYS HG2 1.0 1.8 3.0 456 274 A 28 LYS HG3 A 28 LYS HD2 1.0 1.8 3.0 457 274 A 28 LYS HG3 A 28 LYS HD3 1.0 1.8 3.0 458 275 A 28 LYS H A 28 LYS HD2 1.0 1.8 5.5 459 275 A 28 LYS HD3 A 28 LYS H 1.0 1.8 5.5 460 276 A 28 LYS HA A 28 LYS HG2 1.0 1.8 3.0 461 276 A 28 LYS HG3 A 28 LYS HA 1.0 1.8 3.0 462 277 A 28 LYS HB2 A 28 LYS HG2 1.0 1.8 3.0 463 277 A 28 LYS HB3 A 28 LYS HG2 1.0 1.8 3.0 464 277 A 28 LYS HG3 A 28 LYS HB2 1.0 1.8 3.0 465 277 A 28 LYS HG3 A 28 LYS HB3 1.0 1.8 3.0 466 278 A 28 LYS HD3 A 28 LYS HG2 1.0 1.8 3.0 467 278 A 28 LYS HD2 A 28 LYS HG2 1.0 1.8 3.0 468 278 A 28 LYS HG3 A 28 LYS HD2 1.0 1.8 3.0 469 278 A 28 LYS HG3 A 28 LYS HD3 1.0 1.8 3.0 470 279 A 29 TYR HBy A 28 LYS H 1.0 3.3 5.5 471 280 A 29 TYR HBx A 29 TYR HA 1.0 1.8 4.0 472 281 A 29 TYR HBy A 29 TYR HA 1.0 1.8 3.0 473 282 A 29 TYR HBy A 29 TYR HBx 1.0 1.8 3.0 474 283 A 29 TYR HBy A 29 TYR HBx 1.0 1.8 3.0 475 284 A 29 TYR HD% A 29 TYR HBx 1.0 1.8 4.0 476 285 A 29 TYR HBy A 29 TYR HD% 1.0 1.8 4.0 477 286 A 29 TYR HBx A 29 TYR HE% 1.0 2.3 4.5 478 287 A 29 TYR HBy A 29 TYR HE% 1.0 2.3 4.5 479 288 A 29 TYR H A 29 TYR HBx 1.0 1.8 4.0 480 289 A 29 TYR HBy A 29 TYR H 1.0 1.8 4.0 481 290 A 29 TYR HBx A 32 LEU HDx% 1.0 1.8 4.0 482 291 A 29 TYR HBy A 32 LEU HDx% 1.0 1.8 4.0 483 292 A 29 TYR HBx A 49 ILE HD1% 1.0 1.8 3.0 484 293 A 29 TYR HBy A 49 ILE HD1% 1.0 1.8 3.0 485 294 A 30 ILE HA A 20 LEU HB2 1.0 1.8 4.0 486 294 A 30 ILE HA A 20 LEU HB3 1.0 1.8 4.0 487 295 A 30 ILE HA A 29 TYR HBx 1.0 1.8 5.5 488 296 A 30 ILE HA A 30 ILE HD1% 1.0 2.8 4.0 489 297 A 30 ILE HA A 30 ILE HG12 1.0 1.8 4.0 490 297 A 30 ILE HA A 30 ILE HG13 1.0 1.8 4.0 491 298 A 30 ILE HA A 30 ILE H 1.0 1.8 4.0 492 299 A 30 ILE HA A 31 LYS H 1.0 1.3 4.5 493 300 A 30 ILE HA A 46 LYS HA 1.0 2.3 6.0 494 301 A 27 GLU HA A 30 ILE HB 1.0 1.8 4.0 495 302 A 30 ILE HA A 30 ILE HB 1.0 1.8 5.5 496 303 A 30 ILE HD1% A 30 ILE HB 1.0 2.3 3.5 497 304 A 30 ILE HB A 30 ILE HG12 1.0 1.8 3.0 498 304 A 30 ILE HG13 A 30 ILE HB 1.0 1.8 3.0 499 305 A 30 ILE H A 30 ILE HB 1.0 1.8 4.0 500 306 A 31 LYS H A 30 ILE HB 1.0 1.8 4.0 501 307 A 17 ILE HA A 30 ILE HG12 1.0 2.3 4.5 502 307 A 17 ILE HA A 30 ILE HG13 1.0 2.3 4.5 503 308 A 20 LEU HA A 30 ILE HG12 1.0 3.8 5.0 504 308 A 20 LEU HA A 30 ILE HG13 1.0 3.8 5.0 505 309 A 30 ILE HA A 30 ILE HG12 1.0 1.8 4.0 506 309 A 30 ILE HA A 30 ILE HG13 1.0 1.8 4.0 507 310 A 30 ILE HB A 30 ILE HG12 1.0 1.8 3.0 508 310 A 30 ILE HG13 A 30 ILE HB 1.0 1.8 3.0 509 311 A 30 ILE HD1% A 30 ILE HG12 1.0 1.8 3.0 510 311 A 30 ILE HD1% A 30 ILE HG13 1.0 1.8 3.0 511 312 A 31 LYS HA A 31 LYS HB2 1.0 1.8 3.0 512 312 A 31 LYS HA A 31 LYS HB3 1.0 1.8 3.0 513 313 A 31 LYS HA A 31 LYS HG2 1.0 1.8 3.0 514 313 A 31 LYS HA A 31 LYS HG3 1.0 1.8 3.0 515 314 A 28 LYS HA A 31 LYS HB2 1.0 1.8 3.0 516 314 A 28 LYS HA A 31 LYS HB3 1.0 1.8 3.0 517 315 A 31 LYS HA A 31 LYS HB2 1.0 1.8 3.0 518 315 A 31 LYS HA A 31 LYS HB3 1.0 1.8 3.0 519 316 A 31 LYS HB3 A 31 LYS HG2 1.0 1.8 3.0 520 316 A 31 LYS HB2 A 31 LYS HG2 1.0 1.8 3.0 521 316 A 31 LYS HG3 A 31 LYS HB2 1.0 1.8 3.0 522 316 A 31 LYS HB3 A 31 LYS HG3 1.0 1.8 3.0 523 317 A 31 LYS H A 31 LYS HB2 1.0 1.8 4.0 524 317 A 31 LYS H A 31 LYS HB3 1.0 1.8 4.0 525 318 A 32 LEU H A 31 LYS HB2 1.0 1.8 4.0 526 318 A 31 LYS HB3 A 32 LEU H 1.0 1.8 4.0 527 319 A 31 LYS HA A 31 LYS HG2 1.0 1.8 3.0 528 319 A 31 LYS HA A 31 LYS HG3 1.0 1.8 3.0 529 320 A 31 LYS HB2 A 31 LYS HG2 1.0 1.8 3.0 530 320 A 31 LYS HG3 A 31 LYS HB2 1.0 1.8 3.0 531 320 A 31 LYS HB3 A 31 LYS HG3 1.0 1.8 3.0 532 320 A 31 LYS HB3 A 31 LYS HG2 1.0 1.8 3.0 533 321 A 35 ASN HBx A 31 LYS HG2 1.0 1.8 3.0 534 321 A 31 LYS HG3 A 35 ASN HBx 1.0 1.8 3.0 535 322 A 32 LEU HA A 32 LEU HBx 1.0 1.8 4.0 536 323 A 32 LEU HA A 32 LEU HBy 1.0 1.8 3.0 537 324 A 32 LEU HA A 32 LEU HG 1.0 2.3 3.5 538 325 A 32 LEU H A 32 LEU HA 1.0 1.8 4.0 539 326 A 29 TYR HA A 32 LEU HBy 1.0 1.8 5.5 540 327 A 32 LEU HA A 32 LEU HBx 1.0 1.8 4.0 541 328 A 32 LEU HA A 32 LEU HBy 1.0 1.8 4.0 542 329 A 32 LEU HBx A 32 LEU HBy 1.0 1.8 3.0 543 330 A 32 LEU HBx A 32 LEU HBy 1.0 1.8 3.0 544 331 A 32 LEU HDx% A 32 LEU HBx 1.0 1.8 4.0 545 332 A 32 LEU HDx% A 32 LEU HBy 1.0 1.8 3.0 546 333 A 32 LEU HBx A 32 LEU HG 1.0 1.8 4.0 547 334 A 32 LEU HBy A 32 LEU HG 1.0 1.8 3.0 548 335 A 32 LEU H A 32 LEU HBx 1.0 1.8 5.5 549 336 A 32 LEU H A 32 LEU HBy 1.0 2.8 6.0 550 337 A 32 LEU HDx% A 32 LEU HA 1.0 1.8 5.5 551 338 A 32 LEU HDx% A 32 LEU HBx 1.0 1.8 3.0 552 339 A 32 LEU HDx% A 32 LEU HBy 1.0 1.8 4.0 553 340 A 32 LEU HDx% A 32 LEU HG 1.0 1.8 3.0 554 341 A 32 LEU HA A 32 LEU HG 1.0 1.8 4.0 555 342 A 32 LEU HBx A 32 LEU HG 1.0 1.8 4.0 556 343 A 32 LEU HBy A 32 LEU HG 1.0 1.8 3.0 557 344 A 32 LEU HDx% A 32 LEU HG 1.0 1.8 3.0 558 345 A 33 ILE HA A 33 ILE HB 1.0 1.8 5.5 559 346 A 33 ILE HD1% A 33 ILE HA 1.0 2.8 6.0 560 347 A 33 ILE HA A 33 ILE HG12 1.0 1.8 4.0 561 347 A 33 ILE HA A 33 ILE HG13 1.0 1.8 4.0 562 348 A 33 ILE HA A 33 ILE H 1.0 1.8 5.5 563 349 A 33 ILE HA A 42 VAL HA 1.0 1.8 5.5 564 350 A 42 VAL HGx% A 33 ILE HA 1.0 1.8 3.0 565 351 A 13 LYS HA A 33 ILE HB 1.0 1.8 5.5 566 352 A 33 ILE HA A 33 ILE HB 1.0 1.8 4.0 567 353 A 33 ILE HD1% A 33 ILE HB 1.0 1.8 3.0 568 354 A 33 ILE HB A 33 ILE HG12 1.0 1.8 3.0 569 354 A 33 ILE HB A 33 ILE HG13 1.0 1.8 3.0 570 355 A 33 ILE HB A 33 ILE H 1.0 1.8 4.0 571 356 A 33 ILE HD1% A 33 ILE HA 1.0 1.8 4.0 572 357 A 33 ILE HD1% A 33 ILE HG12 1.0 1.8 3.0 573 357 A 33 ILE HD1% A 33 ILE HG13 1.0 1.8 3.0 574 358 A 33 ILE HD1% A 46 LYS HG2 1.0 2.3 3.5 575 358 A 33 ILE HD1% A 46 LYS HG3 1.0 2.3 3.5 576 359 A 13 LYS HB3 A 33 ILE HG12 1.0 1.3 3.5 577 359 A 13 LYS HB2 A 33 ILE HG12 1.0 1.3 3.5 578 359 A 33 ILE HG13 A 13 LYS HB2 1.0 1.3 3.5 579 359 A 13 LYS HB3 A 33 ILE HG13 1.0 1.3 3.5 580 360 A 32 LEU H A 33 ILE HG12 1.0 2.8 4.0 581 360 A 32 LEU H A 33 ILE HG13 1.0 2.8 4.0 582 361 A 33 ILE HB A 33 ILE HG12 1.0 1.8 5.5 583 361 A 33 ILE HB A 33 ILE HG13 1.0 1.8 5.5 584 362 A 33 ILE HD1% A 33 ILE HG12 1.0 1.8 3.0 585 362 A 33 ILE HD1% A 33 ILE HG13 1.0 1.8 3.0 586 363 A 13 LYS HA A 34 ALA HA 1.0 2.8 5.0 587 364 A 33 ILE HD1% A 34 ALA HA 1.0 2.3 4.5 588 365 A 34 ALA HA A 34 ALA HB% 1.0 1.8 3.0 589 366 A 34 ALA HA A 34 ALA H 1.0 1.8 4.0 590 367 A 34 ALA HA A 35 ASN HA 1.0 1.8 5.5 591 368 A 31 LYS HA A 34 ALA HB% 1.0 1.8 3.0 592 369 A 34 ALA HA A 34 ALA HB% 1.0 1.8 3.0 593 370 A 34 ALA H A 34 ALA HB% 1.0 1.8 3.0 594 371 A 35 ASN HBx A 35 ASN HA 1.0 1.8 5.5 595 372 A 34 ALA HB% A 35 ASN HBy 1.0 1.8 4.0 596 373 A 35 ASN HBx A 35 ASN HA 1.0 1.8 3.0 597 374 A 35 ASN HA A 35 ASN HBy 1.0 1.8 4.0 598 375 A 35 ASN HBx A 35 ASN HBy 1.0 1.8 3.0 599 376 A 35 ASN HBx A 35 ASN HBy 1.0 1.8 3.0 600 377 A 35 ASN HBx A 35 ASN H 1.0 1.8 4.0 601 378 A 35 ASN HBy A 35 ASN H 1.0 1.8 4.0 602 379 A 33 ILE HA A 36 ALA HA 1.0 1.8 4.0 603 380 A 35 ASN HA A 36 ALA HA 1.0 3.3 5.5 604 381 A 36 ALA HA A 36 ALA HB% 1.0 1.8 3.0 605 382 A 36 ALA HA A 36 ALA H 1.0 1.8 4.0 606 383 A 36 ALA HA A 37 LYS H 1.0 1.8 4.0 607 384 A 42 VAL HGx% A 36 ALA HA 1.0 1.8 3.0 608 385 A 9 LEU HDy% A 36 ALA HB% 1.0 1.8 3.0 609 386 A 33 ILE HB A 36 ALA HB% 1.0 3.8 6.0 610 387 A 35 ASN HA A 36 ALA HB% 1.0 1.8 4.0 611 388 A 36 ALA HA A 36 ALA HB% 1.0 1.8 3.0 612 389 A 36 ALA HB% A 36 ALA H 1.0 1.8 3.0 613 390 A 37 LYS HA A 37 LYS HBx 1.0 1.8 4.0 614 391 A 37 LYS HA A 37 LYS HBy 1.0 1.8 4.0 615 392 A 37 LYS HA A 37 LYS HG2 1.0 1.8 3.0 616 392 A 37 LYS HA A 37 LYS HG3 1.0 1.8 3.0 617 393 A 35 ASN HBx A 37 LYS HBy 1.0 1.8 5.5 618 394 A 37 LYS HA A 37 LYS HBx 1.0 1.8 4.0 619 395 A 37 LYS HA A 37 LYS HBy 1.0 1.8 4.0 620 396 A 37 LYS HBx A 37 LYS HBy 1.0 1.8 3.0 621 397 A 37 LYS HBx A 37 LYS HBy 1.0 1.8 3.0 622 398 A 37 LYS HBx A 37 LYS HG2 1.0 1.8 3.0 623 398 A 37 LYS HBx A 37 LYS HG3 1.0 1.8 3.0 624 399 A 37 LYS HBy A 37 LYS HG2 1.0 1.8 3.0 625 399 A 37 LYS HBy A 37 LYS HG3 1.0 1.8 3.0 626 400 A 37 LYS HBx A 38 THR HA 1.0 1.8 5.5 627 401 A 35 ASN HBx A 32 LEU HG 1.0 4.3 6.5 628 402 A 37 LYS HBx A 37 LYS HG2 1.0 1.8 3.0 629 402 A 37 LYS HBx A 37 LYS HG3 1.0 1.8 3.0 630 403 A 37 LYS HBy A 37 LYS HG2 1.0 1.8 3.0 631 403 A 37 LYS HBy A 37 LYS HG3 1.0 1.8 3.0 632 404 A 9 LEU HDy% A 39 VAL HA 1.0 1.8 4.0 633 405 A 12 ALA HB% A 39 VAL HA 1.0 1.8 5.5 634 406 A 39 VAL HGy% A 39 VAL HA 1.0 1.8 4.0 635 407 A 39 VAL HA A 39 VAL H 1.0 1.8 5.5 636 408 A 40 GLU HA A 40 GLU HB2 1.0 1.8 3.0 637 408 A 40 GLU HA A 40 GLU HB3 1.0 1.8 3.0 638 409 A 40 GLU HA A 40 GLU HG2 1.0 1.8 4.0 639 409 A 40 GLU HA A 40 GLU HG3 1.0 1.8 4.0 640 410 A 40 GLU HA A 40 GLU H 1.0 1.8 4.0 641 411 A 40 GLU HA A 43 TRP H 1.0 1.8 4.0 642 412 A 40 GLU HA A 44 THR H 1.0 2.3 4.5 643 413 A 40 GLU HA A 40 GLU HB2 1.0 1.8 3.0 644 413 A 40 GLU HA A 40 GLU HB3 1.0 1.8 3.0 645 414 A 40 GLU HB2 A 40 GLU HG2 1.0 1.8 3.0 646 414 A 40 GLU HB3 A 40 GLU HG2 1.0 1.8 3.0 647 414 A 40 GLU HG3 A 40 GLU HB2 1.0 1.8 3.0 648 414 A 40 GLU HB3 A 40 GLU HG3 1.0 1.8 3.0 649 415 A 40 GLU H A 40 GLU HB2 1.0 1.8 4.0 650 415 A 40 GLU HB3 A 40 GLU H 1.0 1.8 4.0 651 416 A 40 GLU HA A 40 GLU HG2 1.0 1.8 3.0 652 416 A 40 GLU HA A 40 GLU HG3 1.0 1.8 3.0 653 417 A 40 GLU HB2 A 40 GLU HG2 1.0 1.8 3.0 654 417 A 40 GLU HB3 A 40 GLU HG2 1.0 1.8 3.0 655 417 A 40 GLU HG3 A 40 GLU HB2 1.0 1.8 3.0 656 417 A 40 GLU HB3 A 40 GLU HG3 1.0 1.8 3.0 657 418 A 41 GLY HAx A 41 GLY HAy 1.0 1.8 3.0 658 419 A 41 GLY HAx A 41 GLY H 1.0 1.8 4.0 659 420 A 41 GLY HAy A 41 GLY H 1.0 1.8 4.0 660 421 A 41 GLY HAx A 44 THR HB 1.0 1.8 4.0 661 422 A 12 ALA HB% A 42 VAL HA 1.0 1.8 5.5 662 423 A 42 VAL HA A 13 LYS HD2 1.0 2.8 6.0 663 423 A 13 LYS HD3 A 42 VAL HA 1.0 2.8 6.0 664 424 A 42 VAL HA A 42 VAL HB 1.0 1.8 5.5 665 425 A 42 VAL HA A 42 VAL H 1.0 1.8 5.5 666 426 A 9 LEU HDy% A 42 VAL HB 1.0 2.8 5.0 667 427 A 12 ALA HB% A 42 VAL HB 1.0 1.8 3.0 668 428 A 42 VAL HA A 42 VAL HB 1.0 1.3 4.5 669 429 A 42 VAL HB A 42 VAL H 1.0 1.8 4.0 670 430 A 43 TRP HA A 43 TRP HB2 1.0 1.8 5.0 671 430 A 43 TRP HA A 43 TRP HB3 1.0 1.8 5.0 672 431 A 43 TRP HA A 43 TRP HE3 1.0 1.8 5.5 673 432 A 43 TRP HD1 A 43 TRP HB2 1.0 2.3 4.5 674 432 A 43 TRP HB3 A 43 TRP HD1 1.0 2.3 4.5 675 433 A 43 TRP HE3 A 43 TRP HB2 1.0 2.3 5.5 676 433 A 43 TRP HB3 A 43 TRP HE3 1.0 2.3 5.5 677 434 A 43 TRP H A 43 TRP HB2 1.0 1.8 5.5 678 434 A 43 TRP H A 43 TRP HB3 1.0 1.8 5.5 679 435 A 44 THR H A 43 TRP HB2 1.0 1.8 5.5 680 435 A 44 THR H A 43 TRP HB3 1.0 1.8 5.5 681 436 A 44 THR HA A 43 TRP HB2 1.0 2.3 4.5 682 436 A 43 TRP HB3 A 44 THR HA 1.0 2.3 4.5 683 437 A 44 THR HB A 44 THR HA 1.0 1.8 5.5 684 438 A 44 THR HA A 44 THR HG2% 1.0 1.8 4.0 685 439 A 44 THR H A 44 THR HA 1.0 1.8 4.0 686 440 A 44 THR HA A 45 LEU HDx% 1.0 2.3 6.0 687 441 A 44 THR HA A 46 LYS HG2 1.0 2.3 6.0 688 441 A 46 LYS HG3 A 44 THR HA 1.0 2.3 6.0 689 442 A 44 THR HA A 47 ASP HB2 1.0 2.3 4.5 690 442 A 44 THR HA A 47 ASP HB3 1.0 2.3 4.5 691 443 A 47 ASP H A 44 THR HA 1.0 1.8 5.5 692 444 A 44 THR HA A 48 GLU HB2 1.0 1.8 4.0 693 444 A 44 THR HA A 48 GLU HB3 1.0 1.8 4.0 694 445 A 41 GLY HAy A 44 THR HB 1.0 1.8 5.5 695 446 A 43 TRP H A 44 THR HB 1.0 1.8 5.5 696 447 A 44 THR HB A 44 THR HA 1.0 1.8 4.0 697 448 A 44 THR HB A 44 THR HG2% 1.0 1.8 4.0 698 449 A 44 THR H A 44 THR HB 1.0 1.8 5.0 699 450 A 44 THR HB A 44 THR HG2% 1.0 1.8 5.5 700 451 A 32 LEU HBy A 45 LEU HA 1.0 1.8 5.5 701 452 A 45 LEU HA A 48 GLU HG2 1.0 1.8 5.5 702 452 A 45 LEU HA A 48 GLU HG3 1.0 1.8 5.5 703 453 A 45 LEU HA A 48 GLU H 1.0 1.8 5.5 704 454 A 33 ILE HD1% A 45 LEU HB2 1.0 2.8 4.0 705 454 A 33 ILE HD1% A 45 LEU HB3 1.0 2.8 4.0 706 455 A 44 THR H A 45 LEU HB2 1.0 1.8 5.5 707 455 A 44 THR H A 45 LEU HB3 1.0 1.8 5.5 708 456 A 45 LEU HA A 45 LEU HB2 1.0 1.8 4.0 709 456 A 45 LEU HA A 45 LEU HB3 1.0 1.8 4.0 710 457 A 45 LEU HDx% A 45 LEU HB2 1.0 1.8 4.0 711 457 A 45 LEU HDx% A 45 LEU HB3 1.0 1.8 4.0 712 458 A 45 LEU HG A 45 LEU HB2 1.0 1.8 3.0 713 458 A 45 LEU HB3 A 45 LEU HG 1.0 1.8 3.0 714 459 A 45 LEU H A 45 LEU HB2 1.0 1.8 4.0 715 459 A 45 LEU HB3 A 45 LEU H 1.0 1.8 4.0 716 460 A 32 LEU HG A 45 LEU HG 1.0 2.3 3.5 717 461 A 45 LEU HA A 45 LEU HG 1.0 1.8 4.0 718 462 A 45 LEU HDx% A 45 LEU HG 1.0 1.8 3.0 719 463 A 16 ALA HB% A 46 LYS HA 1.0 2.3 4.5 720 464 A 20 LEU HDx% A 46 LYS HA 1.0 2.3 4.5 721 465 A 46 LYS HA A 46 LYS HG2 1.0 1.8 4.0 722 465 A 46 LYS HG3 A 46 LYS HA 1.0 1.8 4.0 723 466 A 46 LYS HA A 46 LYS H 1.0 1.8 5.5 724 467 A 46 LYS HA A 49 ILE HB 1.0 1.8 4.0 725 468 A 47 ASP HA A 47 ASP HB2 1.0 1.8 3.0 726 468 A 47 ASP HB3 A 47 ASP HA 1.0 1.8 3.0 727 469 A 47 ASP H A 47 ASP HA 1.0 1.8 4.0 728 470 A 44 THR HA A 47 ASP HB2 1.0 1.8 4.0 729 470 A 44 THR HA A 47 ASP HB3 1.0 1.8 4.0 730 471 A 47 ASP HA A 47 ASP HB2 1.0 1.8 4.0 731 471 A 47 ASP HB3 A 47 ASP HA 1.0 1.8 4.0 732 472 A 47 ASP H A 47 ASP HB2 1.0 1.8 4.0 733 472 A 47 ASP H A 47 ASP HB3 1.0 1.8 4.0 734 473 A 48 GLU HA A 48 GLU HB2 1.0 1.8 3.0 735 473 A 48 GLU HB3 A 48 GLU HA 1.0 1.8 3.0 736 474 A 48 GLU HA A 48 GLU HG2 1.0 1.8 3.0 737 474 A 48 GLU HG3 A 48 GLU HA 1.0 1.8 3.0 738 475 A 48 GLU H A 48 GLU HA 1.0 1.8 4.0 739 476 A 48 GLU HA A 51 THR H 1.0 1.8 4.0 740 477 A 48 GLU HA A 48 GLU HB2 1.0 1.8 3.0 741 477 A 48 GLU HB3 A 48 GLU HA 1.0 1.8 3.0 742 478 A 48 GLU HB2 A 48 GLU HG2 1.0 1.8 3.0 743 478 A 48 GLU HB3 A 48 GLU HG2 1.0 1.8 3.0 744 478 A 48 GLU HG3 A 48 GLU HB2 1.0 1.8 3.0 745 478 A 48 GLU HB3 A 48 GLU HG3 1.0 1.8 3.0 746 479 A 48 GLU H A 48 GLU HB2 1.0 1.8 3.0 747 479 A 48 GLU HB3 A 48 GLU H 1.0 1.8 3.0 748 480 A 48 GLU HB2 A 48 GLU HG2 1.0 1.8 3.0 749 480 A 48 GLU HB3 A 48 GLU HG2 1.0 1.8 3.0 750 480 A 48 GLU HG3 A 48 GLU HB2 1.0 1.8 3.0 751 480 A 48 GLU HB3 A 48 GLU HG3 1.0 1.8 3.0 752 481 A 46 LYS HA A 49 ILE HB 1.0 1.8 5.5 753 482 A 49 ILE HD1% A 49 ILE HB 1.0 1.8 3.0 754 483 A 49 ILE HB A 49 ILE H 1.0 1.8 4.0 755 484 A 49 ILE HB A 52 PHE H 1.0 2.3 6.0 756 485 A 20 LEU HA A 49 ILE HD1% 1.0 2.3 6.0 757 486 A 49 ILE HD1% A 49 ILE HB 1.0 1.8 3.0 758 487 A 49 ILE HD1% A 52 PHE HA 1.0 1.8 5.5 759 488 A 50 LEU HA A 49 ILE HA 1.0 2.8 6.0 760 489 A 50 LEU HA A 50 LEU HBx 1.0 1.8 5.5 761 490 A 50 LEU HA A 50 LEU HBy 1.0 1.8 4.0 762 491 A 50 LEU HDx% A 50 LEU HA 1.0 1.8 4.0 763 492 A 50 LEU HA A 50 LEU H 1.0 1.8 5.5 764 493 A 47 ASP HA A 50 LEU HBy 1.0 2.8 6.0 765 494 A 50 LEU HA A 50 LEU HBx 1.0 1.8 4.0 766 495 A 50 LEU HA A 50 LEU HBy 1.0 1.8 4.0 767 496 A 50 LEU HBx A 50 LEU HBy 1.0 1.8 3.0 768 497 A 50 LEU HBx A 50 LEU HBy 1.0 1.8 3.0 769 498 A 50 LEU HDx% A 50 LEU HBx 1.0 1.8 3.0 770 499 A 50 LEU HDx% A 50 LEU HBy 1.0 1.8 3.0 771 500 A 50 LEU HBx A 50 LEU H 1.0 1.8 4.0 772 501 A 50 LEU HBy A 50 LEU H 1.0 1.8 4.0 773 502 A 50 LEU HDx% A 50 LEU HBx 1.0 1.8 4.0 774 503 A 50 LEU HDx% A 50 LEU HBy 1.0 1.8 3.0 775 504 A 48 GLU HA A 51 THR HA 1.0 3.3 5.5 776 505 A 51 THR HA A 51 THR HB 1.0 1.8 4.0 777 506 A 51 THR HA A 51 THR HG2% 1.0 1.8 3.0 778 507 A 51 THR H A 51 THR HA 1.0 1.8 4.0 779 508 A 51 THR HA A 52 PHE HB2 1.0 1.8 5.5 780 508 A 51 THR HA A 52 PHE HB3 1.0 1.8 5.5 781 509 A 51 THR HA A 53 THR H 1.0 1.8 4.0 782 510 A 51 THR HA A 54 VAL HB 1.0 1.8 4.0 783 511 A 51 THR HA A 51 THR HB 1.0 1.8 3.0 784 512 A 51 THR HB A 51 THR HG2% 1.0 1.8 4.0 785 513 A 51 THR HA A 51 THR HG2% 1.0 1.8 3.0 786 514 A 51 THR HB A 51 THR HG2% 1.0 1.8 3.0 787 515 A 49 ILE HA A 52 PHE HB2 1.0 1.8 4.0 788 515 A 49 ILE HA A 52 PHE HB3 1.0 1.8 4.0 789 516 A 49 ILE HD1% A 52 PHE HB2 1.0 1.8 3.0 790 516 A 49 ILE HD1% A 52 PHE HB3 1.0 1.8 3.0 791 517 A 51 THR HG2% A 52 PHE HB2 1.0 1.8 4.0 792 517 A 51 THR HG2% A 52 PHE HB3 1.0 1.8 4.0 793 518 A 52 PHE HA A 52 PHE HB2 1.0 1.8 4.0 794 518 A 52 PHE HA A 52 PHE HB3 1.0 1.8 4.0 795 519 A 52 PHE HD% A 52 PHE HB2 1.0 1.8 4.0 796 519 A 52 PHE HB3 A 52 PHE HD% 1.0 1.8 4.0 797 520 A 52 PHE HE% A 52 PHE HB2 1.0 1.8 4.0 798 520 A 52 PHE HB3 A 52 PHE HE% 1.0 1.8 4.0 799 521 A 52 PHE H A 52 PHE HB2 1.0 1.8 4.0 800 521 A 52 PHE H A 52 PHE HB3 1.0 1.8 4.0 801 522 A 53 THR HA A 53 THR HB 1.0 1.8 3.0 802 523 A 53 THR HA A 53 THR HG2% 1.0 2.3 4.5 803 524 A 50 LEU HA A 53 THR HB 1.0 1.8 4.0 804 525 A 52 PHE HA A 53 THR HB 1.0 2.8 5.0 805 526 A 53 THR HA A 53 THR HB 1.0 1.8 3.0 806 527 A 53 THR HB A 53 THR HG2% 1.0 1.8 3.0 807 528 A 53 THR HA A 53 THR HG2% 1.0 1.8 3.0 808 529 A 53 THR HB A 53 THR HG2% 1.0 1.8 3.0 809 530 A 52 PHE HA A 54 VAL HA 1.0 4.8 7.0 810 531 A 54 VAL HB A 54 VAL HA 1.0 1.8 4.0 811 532 A 54 VAL HA A 54 VAL HGx% 1.0 1.8 3.0 812 533 A 54 VAL HA A 54 VAL H 1.0 1.8 4.0 813 534 A 53 THR H A 54 VAL HB 1.0 1.8 5.5 814 535 A 54 VAL HB A 54 VAL HA 1.0 1.8 4.0 815 536 A 54 VAL HB A 54 VAL HGx% 1.0 1.8 3.0 816 537 A 54 VAL HB A 54 VAL H 1.0 1.8 4.0 817 538 A 54 VAL HA A 54 VAL HGx% 1.0 1.8 4.0 818 539 A 54 VAL HB A 54 VAL HGx% 1.0 1.8 3.0 819 540 A 54 VAL HGx% A 54 VAL H 1.0 1.8 4.0 820 541 A 55 THR HA A 55 THR HG2% 1.0 1.8 4.0 821 542 A 55 THR HA A 55 THR H 1.0 1.8 4.0 822 543 A 55 THR HA A 55 THR HG2% 1.0 1.8 3.0 823 544 A 13 LYS HA A 33 ILE HG2% 1.0 1.3 3.5 824 545 A 33 ILE HG2% A 13 LYS HB2 1.0 1.8 4.0 825 545 A 13 LYS HB3 A 33 ILE HG2% 1.0 1.8 4.0 826 546 A 32 LEU HG A 49 ILE HG2% 1.0 2.8 5.0 827 547 A 46 LYS H A 33 ILE HG12 1.0 1.8 5.5 828 547 A 33 ILE HG13 A 46 LYS H 1.0 1.8 5.5 829 548 A 3 TYR HE% A 3 TYR HB2 1.0 1.8 5.0 830 548 A 3 TYR HB3 A 3 TYR HE% 1.0 1.8 5.0 831 549 A 29 TYR HD% A 29 TYR HA 1.0 2.8 5.0 832 550 A 29 TYR HBy A 29 TYR HD% 1.0 2.3 3.5 833 551 A 29 TYR HBy A 29 TYR HE% 1.0 1.8 5.0 834 552 A 43 TRP HA A 43 TRP HD1 1.0 2.8 5.0 835 553 A 43 TRP HD1 A 43 TRP HB2 1.0 2.3 3.5 836 553 A 43 TRP HB3 A 43 TRP HD1 1.0 2.3 3.5 837 554 A 43 TRP HD1 A 43 TRP HE1 1.0 2.3 3.5 838 555 A 43 TRP HA A 43 TRP HE3 1.0 2.8 5.0 839 556 A 43 TRP HE3 A 43 TRP HB2 1.0 1.8 5.0 840 556 A 43 TRP HB3 A 43 TRP HE3 1.0 1.8 5.0 841 557 A 43 TRP HE3 A 43 TRP HZ3 1.0 2.3 3.5 842 558 A 52 PHE HA A 52 PHE HD% 1.0 2.8 5.0 843 559 A 52 PHE HD% A 52 PHE HB2 1.0 2.3 3.5 844 559 A 52 PHE HB3 A 52 PHE HD% 1.0 2.3 3.5 845 560 A 20 LEU HDx% A 52 PHE HE% 1.0 1.8 5.0 846 561 A 20 LEU HG A 52 PHE HE% 1.0 1.8 5.0 847 562 A 52 PHE HE% A 52 PHE HB2 1.0 2.8 5.0 848 562 A 52 PHE HB3 A 52 PHE HE% 1.0 2.8 5.0 849 563 A 26 ALA H A 52 PHE HE% 1.0 2.8 5.0 850 564 A 2 THR HA A 2 THR H 1.0 1.8 4.0 851 565 A 2 THR HB A 2 THR H 1.0 1.8 5.5 852 566 A 2 THR HG2% A 2 THR H 1.0 2.8 6.0 853 567 A 3 TYR H A 3 TYR HA 1.0 1.8 4.0 854 568 A 3 TYR H A 3 TYR HB2 1.0 1.8 5.5 855 568 A 3 TYR HB3 A 3 TYR H 1.0 1.8 5.5 856 569 A 4 LYS H A 3 TYR HA 1.0 1.8 4.0 857 570 A 4 LYS H A 3 TYR HB2 1.0 2.8 6.0 858 570 A 4 LYS H A 3 TYR HB3 1.0 2.8 6.0 859 571 A 4 LYS H A 3 TYR H 1.0 1.8 5.5 860 572 A 4 LYS H A 4 LYS HA 1.0 1.8 5.0 861 573 A 4 LYS H A 4 LYS HB2 1.0 2.8 6.0 862 573 A 4 LYS H A 4 LYS HB3 1.0 2.8 6.0 863 574 A 4 LYS H A 4 LYS HG2 1.0 2.8 6.0 864 574 A 4 LYS H A 4 LYS HG3 1.0 2.8 6.0 865 575 A 5 LEU H A 5 LEU HA 1.0 1.8 4.0 866 576 A 5 LEU H A 5 LEU HB2 1.0 1.8 5.5 867 576 A 5 LEU H A 5 LEU HB3 1.0 1.8 5.5 868 577 A 5 LEU H A 5 LEU HDx% 1.0 2.8 6.0 869 578 A 5 LEU HA A 6 ILE H 1.0 1.8 4.0 870 579 A 6 ILE H A 5 LEU HB2 1.0 1.8 5.5 871 579 A 5 LEU HB3 A 6 ILE H 1.0 1.8 5.5 872 580 A 6 ILE HA A 6 ILE H 1.0 1.8 4.0 873 581 A 6 ILE HB A 6 ILE H 1.0 1.8 5.0 874 582 A 6 ILE H A 6 ILE HD1% 1.0 2.8 6.0 875 583 A 6 ILE HG2% A 6 ILE H 1.0 2.8 6.0 876 584 A 6 ILE HA A 7 LEU H 1.0 1.8 5.5 877 585 A 6 ILE HB A 7 LEU H 1.0 2.8 6.0 878 586 A 7 LEU HA A 7 LEU H 1.0 1.8 4.0 879 587 A 7 LEU H A 7 LEU HB2 1.0 1.8 5.5 880 587 A 7 LEU HB3 A 7 LEU H 1.0 1.8 5.5 881 588 A 7 LEU H A 7 LEU HDx% 1.0 2.8 6.0 882 589 A 7 LEU HA A 8 ASN H 1.0 1.8 4.0 883 590 A 7 LEU HDx% A 8 ASN H 1.0 1.8 5.5 884 591 A 8 ASN HA A 8 ASN H 1.0 1.8 4.0 885 592 A 8 ASN H A 8 ASN HB2 1.0 1.3 4.5 886 592 A 8 ASN HB3 A 8 ASN H 1.0 1.3 4.5 887 593 A 8 ASN H A 9 LEU HA 1.0 1.8 5.5 888 594 A 8 ASN H A 9 LEU HBx 1.0 1.8 4.0 889 595 A 8 ASN H A 9 LEU HBy 1.0 1.8 5.5 890 596 A 8 ASN H A 9 LEU H 1.0 2.3 5.5 891 597 A 8 ASN HA A 9 LEU H 1.0 1.8 4.0 892 598 A 9 LEU H A 8 ASN HB2 1.0 2.8 6.0 893 598 A 8 ASN HB3 A 9 LEU H 1.0 2.8 6.0 894 599 A 9 LEU HA A 9 LEU H 1.0 1.8 4.0 895 600 A 9 LEU HBx A 9 LEU H 1.0 1.8 5.5 896 601 A 9 LEU HBy A 9 LEU H 1.0 1.8 5.5 897 602 A 9 LEU HDx% A 9 LEU H 1.0 2.8 6.0 898 603 A 9 LEU HDy% A 9 LEU H 1.0 2.8 6.0 899 604 A 8 ASN HA A 10 LYS H 1.0 2.8 6.0 900 605 A 10 LYS H A 8 ASN HB2 1.0 2.8 6.0 901 605 A 8 ASN HB3 A 10 LYS H 1.0 2.8 6.0 902 606 A 9 LEU H A 10 LYS H 1.0 1.8 3.0 903 607 A 10 LYS HA A 10 LYS H 1.0 1.8 4.0 904 608 A 10 LYS H A 10 LYS HB2 1.0 1.8 4.0 905 608 A 10 LYS HB3 A 10 LYS H 1.0 1.8 4.0 906 609 A 10 LYS H A 10 LYS HG2 1.0 1.8 5.5 907 609 A 10 LYS HG3 A 10 LYS H 1.0 1.8 5.5 908 610 A 10 LYS H A 11 GLN HA 1.0 2.8 6.0 909 611 A 9 LEU HA A 11 GLN H 1.0 1.8 5.0 910 612 A 9 LEU H A 11 GLN H 1.0 2.8 6.0 911 613 A 10 LYS HA A 11 GLN H 1.0 1.8 4.0 912 614 A 11 GLN H A 10 LYS HB2 1.0 1.8 5.5 913 614 A 10 LYS HB3 A 11 GLN H 1.0 1.8 5.5 914 615 A 11 GLN H A 10 LYS H 1.0 1.8 3.0 915 616 A 11 GLN H A 11 GLN HA 1.0 1.8 5.5 916 617 A 11 GLN H A 11 GLN HB2 1.0 1.8 5.5 917 617 A 11 GLN H A 11 GLN HB3 1.0 1.8 5.5 918 618 A 11 GLN H A 11 GLN HG2 1.0 2.8 6.0 919 618 A 11 GLN H A 11 GLN HG3 1.0 2.8 6.0 920 619 A 11 GLN H A 12 ALA HB% 1.0 2.8 6.0 921 620 A 12 ALA H A 10 LYS HG2 1.0 2.8 6.0 922 620 A 10 LYS HG3 A 12 ALA H 1.0 2.8 6.0 923 621 A 10 LYS H A 12 ALA H 1.0 2.8 6.0 924 622 A 12 ALA HA A 12 ALA H 1.0 1.8 4.0 925 623 A 12 ALA HB% A 12 ALA H 1.0 1.8 5.5 926 624 A 13 LYS H A 12 ALA H 1.0 1.8 3.0 927 625 A 13 LYS H A 10 LYS HA 1.0 1.8 4.0 928 626 A 13 LYS H A 11 GLN HA 1.0 1.8 5.0 929 627 A 13 LYS H A 11 GLN H 1.0 2.8 6.0 930 628 A 13 LYS H A 12 ALA HA 1.0 1.8 4.0 931 629 A 13 LYS H A 12 ALA H 1.0 1.8 4.0 932 630 A 13 LYS H A 13 LYS HA 1.0 1.8 4.0 933 631 A 13 LYS H A 13 LYS HB2 1.0 1.8 5.5 934 631 A 13 LYS H A 13 LYS HB3 1.0 1.8 5.5 935 632 A 13 LYS H A 13 LYS HD2 1.0 1.8 5.5 936 632 A 13 LYS H A 13 LYS HD3 1.0 1.8 5.5 937 633 A 13 LYS H A 13 LYS HG2 1.0 3.3 6.5 938 633 A 13 LYS H A 13 LYS HG3 1.0 3.3 6.5 939 634 A 13 LYS H A 14 GLU H 1.0 1.8 3.0 940 635 A 12 ALA HA A 14 GLU H 1.0 1.8 5.5 941 636 A 12 ALA H A 14 GLU H 1.0 2.8 6.0 942 637 A 14 GLU H A 13 LYS HB2 1.0 1.8 5.5 943 637 A 13 LYS HB3 A 14 GLU H 1.0 1.8 5.5 944 638 A 13 LYS H A 14 GLU H 1.0 1.8 3.0 945 639 A 14 GLU HA A 14 GLU H 1.0 1.8 4.0 946 640 A 14 GLU H A 14 GLU HB2 1.0 1.8 5.5 947 640 A 14 GLU HB3 A 14 GLU H 1.0 1.8 5.5 948 641 A 14 GLU H A 14 GLU HG2 1.0 2.8 6.0 949 641 A 14 GLU HG3 A 14 GLU H 1.0 2.8 6.0 950 642 A 12 ALA HA A 15 GLU H 1.0 1.8 4.0 951 643 A 13 LYS HA A 15 GLU H 1.0 1.8 5.0 952 644 A 14 GLU HA A 15 GLU H 1.0 1.8 4.0 953 645 A 15 GLU H A 14 GLU HB2 1.0 1.8 5.5 954 645 A 14 GLU HB3 A 15 GLU H 1.0 1.8 5.5 955 646 A 14 GLU H A 15 GLU H 1.0 1.8 3.0 956 647 A 15 GLU H A 15 GLU HB2 1.0 1.8 5.5 957 647 A 15 GLU HB3 A 15 GLU H 1.0 1.8 5.5 958 648 A 16 ALA H A 15 GLU H 1.0 1.8 3.0 959 649 A 15 GLU H A 18 LYS HG2 1.0 1.8 5.5 960 649 A 15 GLU H A 18 LYS HG3 1.0 1.8 5.5 961 650 A 12 ALA HA A 16 ALA H 1.0 1.8 4.5 962 651 A 13 LYS HA A 16 ALA H 1.0 1.8 4.0 963 652 A 14 GLU HA A 16 ALA H 1.0 1.8 5.0 964 653 A 16 ALA H A 15 GLU HA 1.0 1.8 4.0 965 654 A 16 ALA H A 15 GLU HB2 1.0 1.8 5.5 966 654 A 16 ALA H A 15 GLU HB3 1.0 1.8 5.5 967 655 A 16 ALA H A 15 GLU H 1.0 1.8 5.5 968 656 A 16 ALA H A 16 ALA HB% 1.0 1.8 5.5 969 657 A 13 LYS HA A 17 ILE H 1.0 1.8 4.5 970 658 A 14 GLU HA A 17 ILE H 1.0 1.8 4.0 971 659 A 15 GLU HA A 17 ILE H 1.0 1.8 5.0 972 660 A 16 ALA H A 17 ILE H 1.0 1.8 3.0 973 661 A 17 ILE HA A 17 ILE H 1.0 1.8 4.0 974 662 A 17 ILE HB A 17 ILE H 1.0 1.8 5.5 975 663 A 17 ILE HD1% A 17 ILE H 1.0 1.8 5.5 976 664 A 18 LYS H A 17 ILE H 1.0 1.8 4.0 977 665 A 18 LYS H A 16 ALA HA 1.0 1.8 5.5 978 666 A 16 ALA H A 18 LYS H 1.0 2.8 6.0 979 667 A 18 LYS H A 17 ILE HA 1.0 1.8 4.0 980 668 A 18 LYS H A 17 ILE HB 1.0 1.8 4.0 981 669 A 18 LYS H A 17 ILE H 1.0 1.8 4.0 982 670 A 18 LYS H A 18 LYS HA 1.0 1.8 4.0 983 671 A 18 LYS H A 18 LYS HB2 1.0 1.8 5.5 984 671 A 18 LYS H A 18 LYS HB3 1.0 1.8 5.5 985 672 A 18 LYS H A 18 LYS HG2 1.0 1.8 5.5 986 672 A 18 LYS H A 18 LYS HG3 1.0 1.8 5.5 987 673 A 18 LYS H A 19 GLU H 1.0 1.8 3.0 988 674 A 18 LYS H A 20 LEU H 1.0 2.8 6.0 989 675 A 16 ALA HA A 19 GLU H 1.0 1.8 4.0 990 676 A 17 ILE HB A 19 GLU H 1.0 1.8 5.5 991 677 A 17 ILE H A 19 GLU H 1.0 2.8 6.0 992 678 A 18 LYS HA A 19 GLU H 1.0 1.8 4.0 993 679 A 19 GLU H A 18 LYS HG2 1.0 2.8 6.0 994 679 A 18 LYS HG3 A 19 GLU H 1.0 2.8 6.0 995 680 A 19 GLU H A 19 GLU HB2 1.0 1.8 5.5 996 680 A 19 GLU H A 19 GLU HB3 1.0 1.8 5.5 997 681 A 19 GLU H A 19 GLU HG2 1.0 2.8 6.0 998 681 A 19 GLU H A 19 GLU HG3 1.0 2.8 6.0 999 682 A 20 LEU H A 16 ALA HA 1.0 1.8 4.5 1000 683 A 20 LEU H A 17 ILE HA 1.0 1.8 4.0 1001 684 A 18 LYS H A 20 LEU H 1.0 2.8 6.0 1002 685 A 20 LEU H A 19 GLU HA 1.0 1.8 4.0 1003 686 A 20 LEU H A 19 GLU HB2 1.0 1.8 4.0 1004 686 A 20 LEU H A 19 GLU HB3 1.0 1.8 4.0 1005 687 A 20 LEU H A 20 LEU HA 1.0 1.8 4.0 1006 688 A 20 LEU H A 20 LEU HB2 1.0 1.8 5.5 1007 688 A 20 LEU H A 20 LEU HB3 1.0 1.8 5.5 1008 689 A 20 LEU H A 20 LEU HDx% 1.0 1.8 5.5 1009 690 A 20 LEU H A 20 LEU HG 1.0 2.8 6.0 1010 691 A 20 LEU H A 21 VAL H 1.0 1.8 3.0 1011 692 A 20 LEU H A 22 ASP HB2 1.0 2.8 6.0 1012 692 A 20 LEU H A 22 ASP HB3 1.0 2.8 6.0 1013 693 A 20 LEU H A 22 ASP H 1.0 2.8 6.0 1014 694 A 17 ILE HA A 21 VAL H 1.0 1.8 4.5 1015 695 A 20 LEU HA A 21 VAL H 1.0 1.8 4.0 1016 696 A 21 VAL H A 20 LEU HB2 1.0 2.8 6.0 1017 696 A 20 LEU HB3 A 21 VAL H 1.0 2.8 6.0 1018 697 A 20 LEU H A 21 VAL H 1.0 1.8 4.0 1019 698 A 21 VAL HA A 21 VAL H 1.0 1.8 4.0 1020 699 A 21 VAL HB A 21 VAL H 1.0 1.8 5.5 1021 700 A 21 VAL HGx% A 21 VAL H 1.0 1.8 5.5 1022 701 A 23 ALA H A 21 VAL H 1.0 2.8 6.0 1023 702 A 21 VAL H A 24 GLY H 1.0 2.8 6.0 1024 703 A 22 ASP H A 20 LEU HA 1.0 1.8 5.5 1025 704 A 22 ASP H A 21 VAL HA 1.0 1.8 4.0 1026 705 A 22 ASP H A 21 VAL HB 1.0 1.8 5.5 1027 706 A 22 ASP H A 21 VAL H 1.0 1.8 3.0 1028 707 A 22 ASP H A 22 ASP HA 1.0 1.8 5.5 1029 708 A 22 ASP H A 22 ASP HB2 1.0 1.8 5.5 1030 708 A 22 ASP H A 22 ASP HB3 1.0 1.8 5.5 1031 709 A 22 ASP H A 23 ALA H 1.0 1.8 3.0 1032 710 A 19 GLU HA A 23 ALA H 1.0 1.8 4.5 1033 711 A 23 ALA H A 20 LEU HA 1.0 2.8 6.0 1034 712 A 23 ALA H A 20 LEU HB2 1.0 2.8 6.0 1035 712 A 23 ALA H A 20 LEU HB3 1.0 2.8 6.0 1036 713 A 23 ALA H A 22 ASP HB2 1.0 2.8 6.0 1037 713 A 23 ALA H A 22 ASP HB3 1.0 2.8 6.0 1038 714 A 23 ALA H A 23 ALA HA 1.0 2.8 6.0 1039 715 A 23 ALA H A 23 ALA HB% 1.0 1.8 5.5 1040 716 A 23 ALA H A 24 GLY H 1.0 2.3 5.5 1041 717 A 23 ALA H A 25 ILE H 1.0 2.8 6.0 1042 718 A 23 ALA HA A 24 GLY H 1.0 2.8 6.0 1043 719 A 23 ALA HB% A 24 GLY H 1.0 2.8 6.0 1044 720 A 23 ALA H A 24 GLY H 1.0 1.8 5.5 1045 721 A 24 GLY HAx A 24 GLY H 1.0 1.8 5.5 1046 722 A 24 GLY HAy A 24 GLY H 1.0 1.8 5.5 1047 723 A 24 GLY H A 25 ILE H 1.0 1.8 5.5 1048 724 A 20 LEU HDx% A 25 ILE H 1.0 1.8 5.5 1049 725 A 24 GLY HAy A 25 ILE H 1.0 2.3 5.5 1050 726 A 24 GLY H A 25 ILE H 1.0 1.8 5.5 1051 727 A 25 ILE HA A 25 ILE H 1.0 1.8 5.5 1052 728 A 25 ILE HB A 25 ILE H 1.0 1.8 5.5 1053 729 A 25 ILE H A 25 ILE HG12 1.0 2.8 6.0 1054 729 A 25 ILE HG13 A 25 ILE H 1.0 2.8 6.0 1055 730 A 25 ILE H A 26 ALA H 1.0 1.8 5.0 1056 731 A 25 ILE HA A 26 ALA H 1.0 1.8 4.0 1057 732 A 26 ALA H A 25 ILE HG12 1.0 1.8 5.5 1058 732 A 25 ILE HG13 A 26 ALA H 1.0 1.8 5.5 1059 733 A 25 ILE H A 26 ALA H 1.0 1.3 4.5 1060 734 A 26 ALA H A 26 ALA HA 1.0 1.8 5.5 1061 735 A 26 ALA H A 26 ALA HB% 1.0 1.8 4.0 1062 736 A 26 ALA H A 29 TYR H 1.0 2.8 6.0 1063 737 A 27 GLU H A 26 ALA HA 1.0 1.8 4.0 1064 738 A 27 GLU H A 26 ALA HB% 1.0 1.8 5.5 1065 739 A 27 GLU HA A 27 GLU H 1.0 1.8 4.0 1066 740 A 27 GLU H A 27 GLU HB2 1.0 1.8 5.5 1067 740 A 27 GLU H A 27 GLU HB3 1.0 1.8 5.5 1068 741 A 27 GLU H A 28 LYS H 1.0 1.8 3.0 1069 742 A 26 ALA H A 28 LYS H 1.0 2.8 6.0 1070 743 A 28 LYS H A 27 GLU HB2 1.0 1.8 5.5 1071 743 A 27 GLU HB3 A 28 LYS H 1.0 1.8 5.5 1072 744 A 28 LYS HA A 28 LYS H 1.0 1.8 5.5 1073 745 A 28 LYS H A 28 LYS HB2 1.0 2.3 5.5 1074 745 A 28 LYS HB3 A 28 LYS H 1.0 2.3 5.5 1075 746 A 28 LYS H A 28 LYS HG2 1.0 3.8 7.0 1076 746 A 28 LYS HG3 A 28 LYS H 1.0 3.8 7.0 1077 747 A 29 TYR H A 28 LYS H 1.0 1.8 3.0 1078 748 A 29 TYR H A 29 TYR HA 1.0 1.8 5.0 1079 749 A 29 TYR H A 29 TYR HBx 1.0 1.8 5.0 1080 750 A 29 TYR HBy A 29 TYR H 1.0 1.8 5.0 1081 751 A 29 TYR HD% A 29 TYR H 1.0 2.8 6.0 1082 752 A 20 LEU HDx% A 30 ILE H 1.0 2.8 6.0 1083 753 A 28 LYS HA A 30 ILE H 1.0 1.8 5.0 1084 754 A 29 TYR HA A 30 ILE H 1.0 1.8 4.0 1085 755 A 29 TYR HBx A 30 ILE H 1.0 2.8 6.0 1086 756 A 29 TYR HBy A 30 ILE H 1.0 2.8 6.0 1087 757 A 30 ILE HA A 30 ILE H 1.0 2.8 6.0 1088 758 A 30 ILE H A 30 ILE HB 1.0 1.8 5.5 1089 759 A 30 ILE HD1% A 30 ILE H 1.0 2.8 6.0 1090 760 A 30 ILE H A 30 ILE HG12 1.0 1.8 5.5 1091 760 A 30 ILE HG13 A 30 ILE H 1.0 1.8 5.5 1092 761 A 31 LYS H A 30 ILE H 1.0 1.8 3.0 1093 762 A 31 LYS H A 29 TYR HA 1.0 1.8 5.0 1094 763 A 31 LYS H A 30 ILE H 1.0 1.8 5.5 1095 764 A 31 LYS H A 31 LYS HA 1.0 1.8 4.0 1096 765 A 31 LYS H A 31 LYS HB2 1.0 1.8 4.0 1097 765 A 31 LYS H A 31 LYS HB3 1.0 1.8 4.0 1098 766 A 31 LYS H A 31 LYS HG2 1.0 1.8 5.5 1099 766 A 31 LYS H A 31 LYS HG3 1.0 1.8 5.5 1100 767 A 29 TYR HA A 32 LEU H 1.0 1.8 4.0 1101 768 A 31 LYS HA A 32 LEU H 1.0 1.8 4.0 1102 769 A 32 LEU H A 31 LYS HB2 1.0 2.8 6.0 1103 769 A 31 LYS HB3 A 32 LEU H 1.0 2.8 6.0 1104 770 A 31 LYS H A 32 LEU H 1.0 1.8 3.0 1105 771 A 32 LEU H A 32 LEU HA 1.0 1.8 4.0 1106 772 A 32 LEU H A 32 LEU HBx 1.0 1.8 5.5 1107 773 A 32 LEU H A 32 LEU HBy 1.0 2.8 6.0 1108 774 A 32 LEU HDx% A 32 LEU H 1.0 2.8 6.0 1109 775 A 34 ALA H A 32 LEU H 1.0 2.8 6.0 1110 776 A 31 LYS H A 33 ILE H 1.0 2.8 6.0 1111 777 A 32 LEU HA A 33 ILE H 1.0 1.8 4.0 1112 778 A 33 ILE HA A 33 ILE H 1.0 1.3 4.5 1113 779 A 33 ILE HB A 33 ILE H 1.0 1.8 5.5 1114 780 A 33 ILE HD1% A 33 ILE H 1.0 1.8 5.5 1115 781 A 33 ILE H A 33 ILE HG2% 1.0 1.8 5.5 1116 782 A 34 ALA H A 33 ILE H 1.0 1.8 3.0 1117 783 A 34 ALA H A 13 LYS HB2 1.0 1.8 5.5 1118 783 A 13 LYS HB3 A 34 ALA H 1.0 1.8 5.5 1119 784 A 34 ALA H A 13 LYS HG2 1.0 1.8 5.5 1120 784 A 13 LYS HG3 A 34 ALA H 1.0 1.8 5.5 1121 785 A 34 ALA H A 17 ILE HD1% 1.0 2.8 6.0 1122 786 A 34 ALA HA A 34 ALA H 1.0 1.8 5.5 1123 787 A 34 ALA H A 34 ALA HB% 1.0 1.8 5.5 1124 788 A 32 LEU HA A 35 ASN H 1.0 1.8 4.0 1125 789 A 34 ALA HB% A 35 ASN H 1.0 2.8 6.0 1126 790 A 34 ALA H A 35 ASN H 1.0 1.8 4.0 1127 791 A 35 ASN HA A 35 ASN H 1.0 1.8 4.0 1128 792 A 35 ASN HBx A 35 ASN H 1.0 2.3 5.5 1129 793 A 35 ASN HBy A 35 ASN H 1.0 2.3 5.5 1130 794 A 33 ILE HA A 36 ALA H 1.0 1.8 4.0 1131 795 A 35 ASN HA A 36 ALA H 1.0 1.3 4.5 1132 796 A 36 ALA HA A 36 ALA H 1.0 2.3 5.5 1133 797 A 36 ALA HB% A 36 ALA H 1.0 1.8 5.5 1134 798 A 42 VAL HA A 36 ALA H 1.0 2.8 6.0 1135 799 A 36 ALA HA A 37 LYS H 1.0 2.8 6.0 1136 800 A 37 LYS H A 37 LYS HA 1.0 1.8 5.0 1137 801 A 37 LYS H A 37 LYS HG2 1.0 2.8 6.0 1138 801 A 37 LYS H A 37 LYS HG3 1.0 2.8 6.0 1139 802 A 37 LYS H A 38 THR H 1.0 2.8 6.0 1140 803 A 9 LEU HDy% A 38 THR H 1.0 2.8 6.0 1141 804 A 37 LYS HA A 38 THR H 1.0 2.8 6.0 1142 805 A 37 LYS H A 38 THR H 1.0 2.8 6.0 1143 806 A 38 THR HA A 38 THR H 1.0 1.8 4.0 1144 807 A 38 THR H A 38 THR HG2% 1.0 2.8 6.0 1145 808 A 9 LEU HDx% A 39 VAL H 1.0 1.8 5.5 1146 809 A 37 LYS HA A 39 VAL H 1.0 2.8 6.0 1147 810 A 37 LYS H A 39 VAL H 1.0 2.3 4.5 1148 811 A 38 THR HA A 39 VAL H 1.0 1.8 5.5 1149 812 A 39 VAL H A 38 THR H 1.0 1.3 4.5 1150 813 A 39 VAL HA A 39 VAL H 1.0 1.8 4.0 1151 814 A 39 VAL HA A 39 VAL H 1.0 1.3 4.5 1152 815 A 39 VAL HGy% A 39 VAL H 1.0 1.8 5.5 1153 816 A 36 ALA HA A 40 GLU H 1.0 4.3 7.5 1154 817 A 38 THR HA A 40 GLU H 1.0 2.8 6.0 1155 818 A 40 GLU H A 38 THR HG2% 1.0 2.8 6.0 1156 819 A 39 VAL HA A 40 GLU H 1.0 1.8 4.0 1157 820 A 40 GLU H A 39 VAL HB 1.0 2.8 6.0 1158 821 A 39 VAL H A 40 GLU H 1.0 1.8 4.0 1159 822 A 40 GLU HA A 40 GLU H 1.0 1.8 4.0 1160 823 A 40 GLU H A 40 GLU HB2 1.0 1.8 5.5 1161 823 A 40 GLU HB3 A 40 GLU H 1.0 1.8 5.5 1162 824 A 40 GLU H A 41 GLY HAy 1.0 2.8 6.0 1163 825 A 38 THR HA A 41 GLY H 1.0 2.8 6.0 1164 826 A 41 GLY H A 40 GLU HB2 1.0 2.8 6.0 1165 826 A 40 GLU HB3 A 41 GLY H 1.0 2.8 6.0 1166 827 A 40 GLU H A 41 GLY H 1.0 2.3 5.5 1167 828 A 41 GLY HAx A 41 GLY H 1.0 1.8 5.5 1168 829 A 41 GLY HAy A 41 GLY H 1.0 1.8 5.5 1169 830 A 41 GLY H A 42 VAL H 1.0 2.8 6.0 1170 831 A 40 GLU H A 42 VAL H 1.0 2.8 6.0 1171 832 A 41 GLY HAx A 42 VAL H 1.0 1.8 4.0 1172 833 A 41 GLY HAy A 42 VAL H 1.0 1.8 4.0 1173 834 A 41 GLY H A 42 VAL H 1.0 1.8 3.0 1174 835 A 42 VAL HA A 42 VAL H 1.0 1.3 4.5 1175 836 A 42 VAL HB A 42 VAL H 1.0 1.8 5.5 1176 837 A 42 VAL HGx% A 42 VAL H 1.0 1.8 5.5 1177 838 A 43 TRP H A 42 VAL H 1.0 1.8 3.0 1178 839 A 44 THR H A 42 VAL H 1.0 2.8 6.0 1179 840 A 40 GLU HA A 43 TRP H 1.0 1.8 4.0 1180 841 A 43 TRP H A 41 GLY HAx 1.0 1.8 5.0 1181 842 A 43 TRP H A 41 GLY H 1.0 2.8 6.0 1182 843 A 42 VAL HA A 43 TRP H 1.0 1.8 4.0 1183 844 A 43 TRP H A 42 VAL HB 1.0 1.8 5.0 1184 845 A 43 TRP H A 42 VAL H 1.0 1.8 3.0 1185 846 A 43 TRP H A 43 TRP HA 1.0 1.8 4.0 1186 847 A 43 TRP H A 43 TRP HB2 1.0 2.3 5.5 1187 847 A 43 TRP H A 43 TRP HB3 1.0 2.3 5.5 1188 848 A 43 TRP H A 44 THR H 1.0 1.8 3.0 1189 849 A 43 TRP H A 45 LEU H 1.0 2.8 6.0 1190 850 A 44 THR H A 40 GLU HB2 1.0 2.8 6.0 1191 850 A 40 GLU HB3 A 44 THR H 1.0 2.8 6.0 1192 851 A 44 THR H A 41 GLY HAx 1.0 1.8 4.0 1193 852 A 44 THR H A 41 GLY HAy 1.0 1.8 4.0 1194 853 A 42 VAL HA A 44 THR H 1.0 1.8 5.0 1195 854 A 44 THR H A 42 VAL H 1.0 2.8 6.0 1196 855 A 44 THR H A 43 TRP HA 1.0 1.8 4.0 1197 856 A 44 THR H A 43 TRP HB2 1.0 2.8 6.0 1198 856 A 44 THR H A 43 TRP HB3 1.0 2.8 6.0 1199 857 A 43 TRP H A 44 THR H 1.0 1.8 4.0 1200 858 A 44 THR H A 44 THR HB 1.0 1.8 5.5 1201 859 A 44 THR H A 44 THR HG2% 1.0 2.8 6.0 1202 860 A 42 VAL HA A 45 LEU H 1.0 1.8 4.0 1203 861 A 43 TRP H A 45 LEU H 1.0 2.8 6.0 1204 862 A 44 THR HA A 45 LEU H 1.0 1.8 4.0 1205 863 A 44 THR HB A 45 LEU H 1.0 1.8 5.5 1206 864 A 44 THR H A 45 LEU H 1.0 1.8 3.0 1207 865 A 45 LEU H A 45 LEU HB2 1.0 1.8 5.5 1208 865 A 45 LEU HB3 A 45 LEU H 1.0 1.8 5.5 1209 866 A 45 LEU HDx% A 45 LEU H 1.0 2.8 6.0 1210 867 A 45 LEU HG A 45 LEU H 1.0 1.8 5.5 1211 868 A 47 ASP H A 45 LEU H 1.0 2.3 4.5 1212 869 A 33 ILE HD1% A 46 LYS H 1.0 1.8 5.5 1213 870 A 43 TRP HA A 46 LYS H 1.0 1.8 4.0 1214 871 A 44 THR HB A 46 LYS H 1.0 2.8 6.0 1215 872 A 44 THR H A 46 LYS H 1.0 3.3 4.5 1216 873 A 45 LEU HA A 46 LYS H 1.0 1.8 4.0 1217 874 A 46 LYS H A 45 LEU HB2 1.0 1.8 5.5 1218 874 A 45 LEU HB3 A 46 LYS H 1.0 1.8 5.5 1219 875 A 45 LEU H A 46 LYS H 1.0 1.8 3.0 1220 876 A 46 LYS H A 46 LYS HG2 1.0 2.8 6.0 1221 876 A 46 LYS HG3 A 46 LYS H 1.0 2.8 6.0 1222 877 A 47 ASP H A 46 LYS H 1.0 1.8 3.0 1223 878 A 47 ASP H A 44 THR HA 1.0 1.8 4.0 1224 879 A 47 ASP H A 46 LYS HA 1.0 1.8 4.0 1225 880 A 47 ASP H A 46 LYS HG2 1.0 2.8 6.0 1226 880 A 46 LYS HG3 A 47 ASP H 1.0 2.8 6.0 1227 881 A 47 ASP H A 47 ASP HA 1.0 2.8 6.0 1228 882 A 47 ASP H A 47 ASP HB2 1.0 1.8 5.5 1229 882 A 47 ASP H A 47 ASP HB3 1.0 1.8 5.5 1230 883 A 47 ASP H A 48 GLU HB2 1.0 2.8 6.0 1231 883 A 47 ASP H A 48 GLU HB3 1.0 2.8 6.0 1232 884 A 47 ASP H A 48 GLU H 1.0 1.8 3.0 1233 885 A 47 ASP H A 49 ILE H 1.0 2.8 6.0 1234 886 A 47 ASP H A 50 LEU HDx% 1.0 2.8 6.0 1235 887 A 44 THR HA A 48 GLU H 1.0 1.8 4.5 1236 888 A 48 GLU H A 47 ASP HB2 1.0 2.8 6.0 1237 888 A 47 ASP HB3 A 48 GLU H 1.0 2.8 6.0 1238 889 A 48 GLU H A 48 GLU HA 1.0 1.8 4.0 1239 890 A 48 GLU H A 48 GLU HB2 1.0 1.8 5.5 1240 890 A 48 GLU HB3 A 48 GLU H 1.0 1.8 5.5 1241 891 A 48 GLU H A 48 GLU HG2 1.0 1.8 5.5 1242 891 A 48 GLU HG3 A 48 GLU H 1.0 1.8 5.5 1243 892 A 48 GLU H A 49 ILE H 1.0 1.8 3.0 1244 893 A 46 LYS HA A 49 ILE H 1.0 1.8 4.0 1245 894 A 47 ASP HA A 49 ILE H 1.0 1.8 5.0 1246 895 A 48 GLU HA A 49 ILE H 1.0 1.8 4.0 1247 896 A 49 ILE H A 48 GLU HB2 1.0 1.8 5.5 1248 896 A 48 GLU HB3 A 49 ILE H 1.0 1.8 5.5 1249 897 A 49 ILE H A 48 GLU HB2 1.0 1.8 5.5 1250 897 A 48 GLU HB3 A 49 ILE H 1.0 1.8 5.5 1251 898 A 49 ILE H A 49 ILE HA 1.0 1.8 4.0 1252 899 A 49 ILE HB A 49 ILE H 1.0 1.8 4.0 1253 900 A 49 ILE HB A 49 ILE H 1.0 1.8 5.5 1254 901 A 49 ILE HD1% A 49 ILE H 1.0 1.8 5.5 1255 902 A 49 ILE H A 50 LEU H 1.0 1.8 3.0 1256 903 A 47 ASP HA A 50 LEU H 1.0 1.8 4.0 1257 904 A 48 GLU H A 50 LEU H 1.0 2.8 6.0 1258 905 A 49 ILE HA A 50 LEU H 1.0 1.8 4.0 1259 906 A 49 ILE H A 50 LEU H 1.0 1.8 4.0 1260 907 A 50 LEU HA A 50 LEU H 1.0 1.8 4.0 1261 908 A 50 LEU HBx A 50 LEU H 1.0 1.8 5.5 1262 909 A 50 LEU HBy A 50 LEU H 1.0 1.8 5.5 1263 910 A 50 LEU HDx% A 50 LEU H 1.0 1.8 5.5 1264 911 A 51 THR H A 50 LEU H 1.0 1.8 3.0 1265 912 A 52 PHE H A 50 LEU H 1.0 1.8 4.0 1266 913 A 51 THR H A 49 ILE HA 1.0 1.8 5.0 1267 914 A 51 THR H A 49 ILE H 1.0 2.8 6.0 1268 915 A 51 THR H A 50 LEU HA 1.0 1.8 4.0 1269 916 A 51 THR H A 50 LEU HBx 1.0 2.8 6.0 1270 917 A 51 THR H A 51 THR HA 1.0 1.8 4.0 1271 918 A 51 THR H A 51 THR HB 1.0 1.8 5.5 1272 919 A 51 THR H A 51 THR HG2% 1.0 2.8 6.0 1273 920 A 51 THR H A 52 PHE H 1.0 2.8 6.0 1274 921 A 49 ILE HD1% A 52 PHE H 1.0 2.8 6.0 1275 922 A 52 PHE H A 50 LEU HA 1.0 1.8 5.0 1276 923 A 52 PHE H A 51 THR HA 1.0 1.8 5.0 1277 924 A 51 THR H A 52 PHE H 1.0 1.8 4.0 1278 925 A 52 PHE H A 52 PHE HA 1.0 1.8 4.0 1279 926 A 52 PHE H A 52 PHE HB2 1.0 1.8 5.5 1280 926 A 52 PHE H A 52 PHE HB3 1.0 1.8 5.5 1281 927 A 52 PHE H A 52 PHE HE% 1.0 2.8 6.0 1282 928 A 52 PHE H A 53 THR HG2% 1.0 2.8 6.0 1283 929 A 52 PHE H A 53 THR H 1.0 1.8 4.0 1284 930 A 52 PHE HA A 53 THR H 1.0 2.8 6.0 1285 931 A 53 THR H A 52 PHE HB2 1.0 2.8 6.0 1286 931 A 52 PHE HB3 A 53 THR H 1.0 2.8 6.0 1287 932 A 53 THR H A 52 PHE HD% 1.0 2.8 6.0 1288 933 A 52 PHE H A 53 THR H 1.0 1.8 5.5 1289 934 A 53 THR H A 53 THR HA 1.0 1.8 4.0 1290 935 A 53 THR H A 53 THR HB 1.0 3.3 6.5 1291 936 A 53 THR H A 53 THR HG2% 1.0 2.8 6.0 1292 937 A 53 THR H A 54 VAL HB 1.0 2.8 6.0 1293 938 A 53 THR H A 54 VAL H 1.0 1.8 4.0 1294 939 A 53 THR HB A 54 VAL H 1.0 1.8 5.5 1295 940 A 53 THR H A 54 VAL H 1.0 2.8 6.0 1296 941 A 54 VAL HA A 54 VAL H 1.0 1.8 5.5 1297 942 A 54 VAL HB A 54 VAL H 1.0 2.8 6.0 1298 943 A 54 VAL HGx% A 54 VAL H 1.0 2.8 6.0 1299 944 A 54 VAL HGx% A 55 THR H 1.0 2.8 6.0 1300 945 A 54 VAL H A 55 THR H 1.0 2.8 6.0 1301 946 A 55 THR HA A 55 THR H 1.0 1.8 5.5 1302 947 A 55 THR HG2% A 55 THR H 1.0 2.8 6.0 1303 948 A 54 VAL HB A 56 GLU H 1.0 2.8 6.0 1304 949 A 55 THR H A 56 GLU H 1.0 2.8 6.0 1305 950 A 33 ILE HD1% A 17 ILE H 1.0 3.3 6.5 1306 951 A 13 LYS H A 33 ILE HG2% 1.0 1.8 5.0 1307 952 A 48 GLU HA A 50 LEU H 1.0 1.8 5.0 1308 953 A 46 LYS HA A 50 LEU H 1.0 1.8 5.0 1309 954 A 46 LYS HA A 49 ILE H 1.0 1.8 4.0 1310 955 A 45 LEU HA A 48 GLU H 1.0 1.8 4.0 1311 956 A 47 ASP H A 45 LEU HA 1.0 1.8 5.0 1312 957 A 40 GLU HA A 44 THR H 1.0 1.8 5.0 1313 958 A 40 GLU HA A 42 VAL H 1.0 1.8 5.0 1314 959 A 38 THR HA A 41 GLY H 1.0 1.8 4.0 1315 960 A 30 ILE HA A 33 ILE H 1.0 1.8 4.0 1316 961 A 27 GLU HA A 30 ILE H 1.0 1.8 4.0 1317 962 A 19 GLU HA A 21 VAL H 1.0 2.8 5.0 1318 963 A 15 GLU HA A 19 GLU H 1.0 1.8 5.0 1319 964 A 11 GLN HA A 15 GLU H 1.0 1.8 5.0 1320 965 A 11 GLN HA A 14 GLU H 1.0 1.8 4.0 1321 966 A 9 LEU HA A 13 LYS H 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 13 LYS H A 9 LEU O 1.0 1.5 2.5 2 2 A 9 LEU O A 13 LYS N 1.0 2.3 3.2 3 3 A 14 GLU H A 10 LYS O 1.0 1.5 2.5 4 4 A 10 LYS O A 14 GLU N 1.0 2.3 3.2 5 5 A 15 GLU H A 11 GLN O 1.0 1.5 2.5 6 6 A 11 GLN O A 15 GLU N 1.0 2.3 3.2 7 7 A 16 ALA H A 12 ALA O 1.0 1.5 2.5 8 8 A 12 ALA O A 16 ALA N 1.0 2.3 3.2 9 9 A 17 ILE H A 13 LYS O 1.0 1.5 2.5 10 10 A 13 LYS O A 17 ILE N 1.0 2.3 3.2 11 11 A 18 LYS H A 14 GLU O 1.0 1.5 2.5 12 12 A 14 GLU O A 18 LYS N 1.0 2.3 3.2 13 13 A 19 GLU H A 15 GLU O 1.0 1.5 2.5 14 14 A 15 GLU O A 19 GLU N 1.0 2.3 3.2 15 15 A 20 LEU H A 16 ALA O 1.0 1.5 2.5 16 16 A 16 ALA O A 20 LEU N 1.0 2.3 3.2 17 17 A 21 VAL H A 17 ILE O 1.0 1.5 2.5 18 18 A 17 ILE O A 21 VAL N 1.0 2.3 3.2 19 19 A 22 ASP H A 18 LYS O 1.0 1.5 2.5 20 20 A 18 LYS O A 22 ASP N 1.0 2.3 3.2 21 21 A 23 ALA H A 19 GLU O 1.0 1.5 2.5 22 22 A 19 GLU O A 23 ALA N 1.0 2.3 3.2 23 23 A 31 LYS H A 27 GLU O 1.0 1.5 2.5 24 24 A 27 GLU O A 31 LYS N 1.0 2.3 3.2 25 25 A 32 LEU H A 28 LYS O 1.0 1.5 2.5 26 26 A 28 LYS O A 32 LEU N 1.0 2.3 3.2 27 27 A 33 ILE H A 29 TYR O 1.0 1.5 2.5 28 28 A 29 TYR O A 33 ILE N 1.0 2.3 3.2 29 29 A 34 ALA H A 30 ILE O 1.0 1.5 2.5 30 30 A 30 ILE O A 34 ALA N 1.0 2.3 3.2 31 31 A 43 TRP H A 39 VAL O 1.0 1.5 2.5 32 32 A 39 VAL O A 43 TRP N 1.0 2.3 3.2 33 33 A 44 THR H A 40 GLU O 1.0 1.5 2.5 34 34 A 40 GLU O A 44 THR N 1.0 2.3 3.2 35 35 A 45 LEU H A 41 GLY O 1.0 1.5 2.5 36 36 A 41 GLY O A 45 LEU N 1.0 2.3 3.2 37 37 A 46 LYS H A 42 VAL O 1.0 1.5 2.5 38 38 A 42 VAL O A 46 LYS N 1.0 2.3 3.2 39 39 A 47 ASP H A 43 TRP O 1.0 1.5 2.5 40 40 A 43 TRP O A 47 ASP N 1.0 2.3 3.2 41 41 A 48 GLU H A 44 THR O 1.0 1.5 2.5 42 42 A 44 THR O A 48 GLU N 1.0 2.3 3.2 43 43 A 49 ILE H A 45 LEU O 1.0 1.5 2.5 44 44 A 45 LEU O A 49 ILE N 1.0 2.3 3.2 45 45 A 50 LEU H A 46 LYS O 1.0 1.5 2.5 46 46 A 46 LYS O A 50 LEU 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 -85.2 -35.2 PHI 2 2 A 9 LEU N A 9 LEU CA A 9 LEU C A 10 LYS N 1.0 -48.8 -32.6 PSI 3 3 A 9 LEU C A 10 LYS N A 10 LYS CA A 10 LYS C 1.0 -87.1 -37.1 PHI 4 4 A 10 LYS N A 10 LYS CA A 10 LYS C A 11 GLN N 1.0 -47.3 -31.1 PSI 5 5 A 10 LYS C A 11 GLN N A 11 GLN CA A 11 GLN C 1.0 -94.5 -44.5 PHI 6 6 A 11 GLN N A 11 GLN CA A 11 GLN C A 12 ALA N 1.0 -48.8 -29.2 PSI 7 7 A 11 GLN C A 12 ALA N A 12 ALA CA A 12 ALA C 1.0 -86.7 -36.7 PHI 8 8 A 12 ALA N A 12 ALA CA A 12 ALA C A 13 LYS N 1.0 -51.8 -32.2 PSI 9 9 A 12 ALA C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -84.9 -34.9 PHI 10 10 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 GLU N 1.0 -55.2 -35.6 PSI 11 11 A 13 LYS C A 14 GLU N A 14 GLU CA A 14 GLU C 1.0 -85.7 -35.7 PHI 12 12 A 14 GLU N A 14 GLU CA A 14 GLU C A 15 GLU N 1.0 -50.0 -30.4 PSI 13 13 A 14 GLU C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -88.6 -38.6 PHI 14 14 A 15 GLU N A 15 GLU CA A 15 GLU C A 16 ALA N 1.0 -50.7 -31.3 PSI 15 15 A 15 GLU C A 16 ALA N A 16 ALA CA A 16 ALA C 1.0 -88.0 -38.0 PHI 16 16 A 16 ALA N A 16 ALA CA A 16 ALA C A 17 ILE N 1.0 -54.0 -34.4 PSI 17 17 A 16 ALA C A 17 ILE N A 17 ILE CA A 17 ILE C 1.0 -89.8 -39.8 PHI 18 18 A 17 ILE N A 17 ILE CA A 17 ILE C A 18 LYS N 1.0 -52.8 -33.2 PSI 19 19 A 17 ILE C A 18 LYS N A 18 LYS CA A 18 LYS C 1.0 -83.8 -33.8 PHI 20 20 A 18 LYS N A 18 LYS CA A 18 LYS C A 19 GLU N 1.0 -52.9 -33.3 PSI 21 21 A 18 LYS C A 19 GLU N A 19 GLU CA A 19 GLU C 1.0 -90.8 -40.8 PHI 22 22 A 19 GLU N A 19 GLU CA A 19 GLU C A 20 LEU N 1.0 -52.3 -32.7 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 -45.7 -26.1 PSI 25 25 A 20 LEU C A 21 VAL N A 21 VAL CA A 21 VAL C 1.0 -91.7 -41.7 PHI 26 26 A 21 VAL N A 21 VAL CA A 21 VAL C A 22 ASP N 1.0 -51.0 -31.4 PSI 27 27 A 21 VAL C A 22 ASP N A 22 ASP CA A 22 ASP C 1.0 -92.9 -42.9 PHI 28 28 A 22 ASP N A 22 ASP CA A 22 ASP C A 23 ALA N 1.0 -42.4 -21.2 PSI 29 29 A 22 ASP C A 23 ALA N A 23 ALA CA A 23 ALA C 1.0 -115.2 -65.2 PHI 30 30 A 23 ALA N A 23 ALA CA A 23 ALA C A 24 GLY N 1.0 -14.4 12.4 PSI 31 31 A 26 ALA C A 27 GLU N A 27 GLU CA A 27 GLU C 1.0 -85.7 -35.7 PHI 32 32 A 27 GLU N A 27 GLU CA A 27 GLU C A 28 LYS N 1.0 -52.6 -25.8 PSI 33 33 A 27 GLU C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 -90.0 -40.0 PHI 34 34 A 28 LYS N A 28 LYS CA A 28 LYS C A 29 TYR N 1.0 -50.5 -23.7 PSI 35 35 A 29 TYR C A 30 ILE N A 30 ILE CA A 30 ILE C 1.0 -88.4 -38.4 PHI 36 36 A 30 ILE N A 30 ILE CA A 30 ILE C A 31 LYS N 1.0 -53.5 -26.7 PSI 37 37 A 30 ILE C A 31 LYS N A 31 LYS CA A 31 LYS C 1.0 -84.1 -34.1 PHI 38 38 A 31 LYS N A 31 LYS CA A 31 LYS C A 32 LEU N 1.0 -57.4 -30.4 PSI 39 39 A 31 LYS C A 32 LEU N A 32 LEU CA A 32 LEU C 1.0 -89.4 -39.4 PHI 40 40 A 32 LEU N A 32 LEU CA A 32 LEU C A 33 ILE N 1.0 -51.4 -24.4 PSI 41 41 A 32 LEU C A 33 ILE N A 33 ILE CA A 33 ILE C 1.0 -91.7 -41.7 PHI 42 42 A 33 ILE N A 33 ILE CA A 33 ILE C A 34 ALA N 1.0 -54.0 -27.0 PSI 43 43 A 33 ILE C A 34 ALA N A 34 ALA CA A 34 ALA C 1.0 -84.8 -34.8 PHI 44 44 A 34 ALA N A 34 ALA CA A 34 ALA C A 35 ASN N 1.0 -49.4 -22.4 PSI 45 45 A 34 ALA C A 35 ASN N A 35 ASN CA A 35 ASN C 1.0 -109.5 -59.5 PHI 46 46 A 35 ASN N A 35 ASN CA A 35 ASN C A 36 ALA N 1.0 -40.7 -3.1 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 -59.9 -22.3 PSI 49 49 A 39 VAL C A 40 GLU N A 40 GLU CA A 40 GLU C 1.0 -87.1 -37.1 PHI 50 50 A 40 GLU N A 40 GLU CA A 40 GLU C A 41 GLY N 1.0 -57.9 -20.1 PSI 51 51 A 40 GLU C A 41 GLY N A 41 GLY CA A 41 GLY C 1.0 -90.8 -40.8 PHI 52 52 A 41 GLY N A 41 GLY CA A 41 GLY C A 42 VAL N 1.0 -58.4 -20.8 PSI 53 53 A 41 GLY C A 42 VAL N A 42 VAL CA A 42 VAL C 1.0 -91.0 -41.0 PHI 54 54 A 42 VAL N A 42 VAL CA A 42 VAL C A 43 TRP N 1.0 -58.3 -20.7 PSI 55 55 A 42 VAL C A 43 TRP N A 43 TRP CA A 43 TRP C 1.0 -91.4 -41.4 PHI 56 56 A 43 TRP N A 43 TRP CA A 43 TRP C A 44 THR N 1.0 -52.9 -15.3 PSI 57 57 A 43 TRP C A 44 THR N A 44 THR CA A 44 THR C 1.0 -92.4 -42.4 PHI 58 58 A 44 THR N A 44 THR CA A 44 THR C A 45 LEU N 1.0 -62.1 -24.3 PSI 59 59 A 44 THR C A 45 LEU N A 45 LEU CA A 45 LEU C 1.0 -90.3 -40.3 PHI 60 60 A 45 LEU N A 45 LEU CA A 45 LEU C A 46 LYS N 1.0 -55.6 -18.0 PSI 61 61 A 45 LEU C A 46 LYS N A 46 LYS CA A 46 LYS C 1.0 -85.6 -35.6 PHI 62 62 A 46 LYS N A 46 LYS CA A 46 LYS C A 47 ASP N 1.0 -62.1 -24.5 PSI 63 63 A 46 LYS C A 47 ASP N A 47 ASP CA A 47 ASP C 1.0 -87.6 -37.6 PHI 64 64 A 47 ASP N A 47 ASP CA A 47 ASP C A 48 GLU N 1.0 -57.3 -19.7 PSI 65 65 A 47 ASP C A 48 GLU N A 48 GLU CA A 48 GLU C 1.0 -93.0 -43.0 PHI 66 66 A 48 GLU N A 48 GLU CA A 48 GLU C A 49 ILE N 1.0 -59.3 -21.7 PSI 67 67 A 48 GLU C A 49 ILE N A 49 ILE CA A 49 ILE C 1.0 -91.2 -41.2 PHI 68 68 A 49 ILE N A 49 ILE CA A 49 ILE C A 50 LEU N 1.0 -62.4 -24.6 PSI 69 69 A 49 ILE C A 50 LEU N A 50 LEU CA A 50 LEU C 1.0 -86.2 -36.4 PHI 70 70 A 50 LEU N A 50 LEU CA A 50 LEU C A 51 THR N 1.0 -53.2 -15.6 PSI stop_ save_