data_nef_c19473_2md8 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 19472 PDB 2MD8 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 22 CYS SG 1 34 CYS SG 1 35 HIS NE2 2 2 ZN ZN 1 31 HIS NE2 2 2 ZN ZN 1 11 CYS SG 2 2 ZN ZN 1 14 CYS SG 2 2 ZN ZN 1 48 CYS SG 2 1 ZN ZN 1 51 CYS SG 2 1 ZN ZN 1 23 CYS SG 2 1 ZN ZN 1 26 CYS SG 2 1 ZN ZN stop_ 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 C 1 GLY start . false 2 C 2 ALA middle . . 3 C 3 MET middle . . 4 C 4 GLY middle . false 5 C 5 MET middle . . 6 C 6 ARG middle . . 7 C 7 ASN middle . . 8 C 8 LEU middle . . 9 C 9 ASP middle . . 10 C 10 GLU middle . . 11 C 11 CYS middle -HG . 12 C 12 GLU middle . . 13 C 13 VAL middle . . 14 C 14 CYS middle -HG . 15 C 15 ARG middle . . 16 C 16 ASP middle . . 17 C 17 GLY middle . false 18 C 18 GLY middle . false 19 C 19 GLU middle . . 20 C 20 LEU middle . . 21 C 21 PHE middle . . 22 C 22 CYS middle -HG . 23 C 23 CYS middle -HG . 24 C 24 ASP middle . . 25 C 25 THR middle . . 26 C 26 CYS middle -HG . 27 C 27 SER middle . . 28 C 28 ARG middle . . 29 C 29 VAL middle . . 30 C 30 PHE middle . . 31 C 31 HIS middle -HE2 . 32 C 32 GLU middle . . 33 C 33 ASP middle . . 34 C 34 CYS middle -HG . 35 C 35 HIS middle -HE2 . 36 C 36 ILE middle . . 37 C 37 PRO middle . true 38 C 38 PRO middle . false 39 C 39 VAL middle . . 40 C 40 GLU middle . . 41 C 41 ALA middle . . 42 C 42 GLU middle . . 43 C 43 ARG middle . . 44 C 44 THR middle . . 45 C 45 PRO middle . true 46 C 46 TRP middle . . 47 C 47 ASN middle . . 48 C 48 CYS middle -HG . 49 C 49 ILE middle . . 50 C 50 PHE middle . . 51 C 51 CYS middle -HG . 52 C 52 ARG middle . . 53 C 53 MET middle . . 54 C 54 LYS middle . . 55 C 55 GLU middle . . 56 C 56 SER end . . 57 A 1 ZN . . . 58 A 2 ZN . . . 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 C 1 GLY HA3 H 1 4.366 0.002 C 1 GLY C C 13 175.865 0.000 C 1 GLY CA C 13 56.247 0.064 C 2 ALA H H 1 8.412 0.002 C 2 ALA HA H 1 4.369 0.012 C 2 ALA HB% H 1 1.461 0.008 C 2 ALA C C 13 177.984 0.000 C 2 ALA CA C 13 52.532 0.056 C 2 ALA CB C 13 19.489 0.034 C 2 ALA N N 15 126.848 0.032 C 3 MET H H 1 8.580 0.002 C 3 MET HA H 1 4.532 0.012 C 3 MET HBy H 1 2.103 0.034 C 3 MET HBx H 1 2.091 0.024 C 3 MET HGy H 1 2.651 0.022 C 3 MET HGx H 1 2.605 0.012 C 3 MET C C 13 176.901 0.000 C 3 MET CA C 13 55.644 0.033 C 3 MET CB C 13 32.952 0.057 C 3 MET N N 15 120.481 0.098 C 4 GLY H H 1 8.559 0.004 C 4 GLY HAy H 1 3.994 0.011 C 4 GLY HAx H 1 3.985 0.005 C 4 GLY C C 13 174.026 0.000 C 4 GLY CA C 13 45.304 0.014 C 4 GLY N N 15 110.838 0.022 C 5 MET H H 1 8.277 0.003 C 5 MET HA H 1 4.545 0.005 C 5 MET HBx H 1 2.079 0.010 C 5 MET HBy H 1 2.130 0.012 C 5 MET HGy H 1 2.655 0.015 C 5 MET HGx H 1 2.611 0.011 C 5 MET C C 13 176.221 0.000 C 5 MET CA C 13 55.410 0.015 C 5 MET CB C 13 32.973 0.019 C 5 MET N N 15 120.597 0.021 C 6 ARG H H 1 8.488 0.004 C 6 ARG HA H 1 4.439 0.008 C 6 ARG HBx H 1 1.846 0.006 C 6 ARG HBy H 1 1.847 0.007 C 6 ARG HDx H 1 3.266 0.007 C 6 ARG HDy H 1 3.267 0.007 C 6 ARG HGy H 1 1.724 0.012 C 6 ARG HGx H 1 1.719 0.014 C 6 ARG C C 13 175.812 0.000 C 6 ARG CA C 13 56.321 0.048 C 6 ARG CB C 13 31.036 0.030 C 6 ARG N N 15 122.923 0.079 C 7 ASN H H 1 8.655 0.005 C 7 ASN HA H 1 4.806 0.013 C 7 ASN HBx H 1 2.726 0.011 C 7 ASN HBy H 1 2.906 0.006 C 7 ASN HD21 H 1 7.030 0.004 C 7 ASN HD22 H 1 7.644 0.001 C 7 ASN C C 13 175.326 0.000 C 7 ASN CA C 13 52.922 0.033 C 7 ASN CB C 13 38.658 0.031 C 7 ASN N N 15 121.334 0.080 C 8 LEU H H 1 8.424 0.003 C 8 LEU HA H 1 4.179 0.010 C 8 LEU HBy H 1 1.649 0.017 C 8 LEU HBx H 1 1.610 0.027 C 8 LEU HDx% H 1 0.834 0.013 C 8 LEU HDy% H 1 0.914 0.009 C 8 LEU HG H 1 1.617 0.013 C 8 LEU CA C 13 56.236 0.018 C 8 LEU CB C 13 41.820 0.029 C 8 LEU N N 15 123.548 0.057 C 9 ASP H H 1 8.299 0.002 C 9 ASP HA H 1 4.505 0.007 C 9 ASP HBx H 1 2.685 0.010 C 9 ASP HBy H 1 2.694 0.011 C 9 ASP C C 13 176.739 0.000 C 9 ASP CA C 13 55.550 0.035 C 9 ASP CB C 13 40.864 0.019 C 9 ASP N N 15 119.761 0.033 C 10 GLU H H 1 7.856 0.005 C 10 GLU HA H 1 4.350 0.011 C 10 GLU HBy H 1 2.161 0.016 C 10 GLU HBx H 1 2.148 0.011 C 10 GLU HGy H 1 1.904 0.004 C 10 GLU HGx H 1 1.902 0.006 C 10 GLU C C 13 175.546 0.000 C 10 GLU CA C 13 56.141 0.021 C 10 GLU CB C 13 30.733 0.019 C 10 GLU N N 15 118.270 0.030 C 11 CYS H H 1 7.895 0.006 C 11 CYS HA H 1 4.616 0.004 C 11 CYS HBy H 1 3.159 0.010 C 11 CYS HBx H 1 2.974 0.007 C 11 CYS C C 13 176.541 0.000 C 11 CYS CA C 13 58.652 0.021 C 11 CYS CB C 13 29.237 0.044 C 11 CYS N N 15 123.172 0.043 C 12 GLU H H 1 9.516 0.003 C 12 GLU HA H 1 3.951 0.004 C 12 GLU HBy H 1 2.132 0.014 C 12 GLU HBx H 1 2.121 0.013 C 12 GLU HGx H 1 2.383 0.011 C 12 GLU HGy H 1 2.420 0.015 C 12 GLU C C 13 177.203 0.000 C 12 GLU CA C 13 59.486 0.039 C 12 GLU CB C 13 29.641 0.021 C 12 GLU N N 15 131.989 0.041 C 13 VAL H H 1 8.091 0.004 C 13 VAL HA H 1 3.753 0.008 C 13 VAL HB H 1 1.219 0.011 C 13 VAL HGx% H 1 0.955 0.005 C 13 VAL HGy% H 1 0.401 0.003 C 13 VAL C C 13 180.331 0.000 C 13 VAL CA C 13 66.055 0.014 C 13 VAL CB C 13 32.170 0.042 C 13 VAL N N 15 123.125 0.018 C 14 CYS H H 1 9.127 0.002 C 14 CYS HA H 1 4.208 0.005 C 14 CYS HBy H 1 3.177 0.009 C 14 CYS HBx H 1 2.992 0.013 C 14 CYS C C 13 179.874 0.000 C 14 CYS CA C 13 66.240 0.030 C 14 CYS CB C 13 28.719 0.056 C 14 CYS N N 15 125.679 0.026 C 15 ARG H H 1 8.074 0.004 C 15 ARG HA H 1 4.027 0.011 C 15 ARG HBx H 1 2.029 0.007 C 15 ARG HBy H 1 2.029 0.006 C 15 ARG HDx H 1 3.287 0.017 C 15 ARG HDy H 1 3.287 0.015 C 15 ARG HE H 1 7.389 0.002 C 15 ARG HGx H 1 1.648 0.007 C 15 ARG HGy H 1 1.916 0.006 C 15 ARG C C 13 177.657 0.000 C 15 ARG CA C 13 59.669 0.026 C 15 ARG CB C 13 29.972 0.013 C 15 ARG N N 15 122.006 0.073 C 15 ARG NE N 15 85.195 0.024 C 16 ASP H H 1 7.562 0.005 C 16 ASP HA H 1 4.823 0.010 C 16 ASP HBx H 1 2.740 0.006 C 16 ASP HBy H 1 2.963 0.010 C 16 ASP C C 13 176.502 0.000 C 16 ASP CA C 13 54.349 0.021 C 16 ASP CB C 13 40.757 0.012 C 16 ASP N N 15 117.964 0.025 C 17 GLY H H 1 7.933 0.007 C 17 GLY HAx H 1 3.856 0.014 C 17 GLY HAy H 1 4.268 0.003 C 17 GLY C C 13 175.569 0.000 C 17 GLY CA C 13 45.673 0.007 C 17 GLY N N 15 108.524 0.049 C 18 GLY H H 1 8.548 0.003 C 18 GLY HAy H 1 4.084 0.003 C 18 GLY HAx H 1 3.424 0.006 C 18 GLY C C 13 173.675 0.000 C 18 GLY CA C 13 45.786 0.010 C 18 GLY N N 15 110.089 0.042 C 19 GLU H H 1 8.734 0.002 C 19 GLU HA H 1 4.157 0.003 C 19 GLU HBx H 1 1.644 0.006 C 19 GLU HBy H 1 1.920 0.005 C 19 GLU HGy H 1 2.166 0.004 C 19 GLU HGx H 1 1.916 0.004 C 19 GLU C C 13 176.228 0.000 C 19 GLU CA C 13 56.982 0.012 C 19 GLU CB C 13 31.338 0.031 C 19 GLU N N 15 125.040 0.049 C 20 LEU H H 1 8.532 0.007 C 20 LEU HA H 1 4.498 0.006 C 20 LEU HBy H 1 1.658 0.006 C 20 LEU HBx H 1 1.333 0.015 C 20 LEU HDx% H 1 0.651 0.004 C 20 LEU HDy% H 1 0.087 0.009 C 20 LEU HG H 1 1.299 0.021 C 20 LEU C C 13 176.799 0.000 C 20 LEU CA C 13 53.358 0.041 C 20 LEU CB C 13 45.743 0.028 C 20 LEU N N 15 124.732 0.057 C 21 PHE H H 1 8.833 0.004 C 21 PHE HA H 1 4.647 0.006 C 21 PHE HBy H 1 3.522 0.017 C 21 PHE HBx H 1 2.680 0.002 C 21 PHE HDx H 1 7.105 0.011 C 21 PHE HDy H 1 7.105 0.011 C 21 PHE HEx H 1 7.336 0.004 C 21 PHE HEy H 1 7.336 0.004 C 21 PHE HZ H 1 7.245 0.012 C 21 PHE C C 13 173.681 0.000 C 21 PHE CA C 13 57.733 0.064 C 21 PHE CB C 13 38.281 0.016 C 21 PHE N N 15 123.079 0.045 C 22 CYS H H 1 6.899 0.003 C 22 CYS HA H 1 6.050 0.010 C 22 CYS HBy H 1 4.274 0.009 C 22 CYS HBx H 1 2.670 0.008 C 22 CYS C C 13 173.741 0.000 C 22 CYS CA C 13 52.376 0.004 C 22 CYS CB C 13 50.955 0.024 C 22 CYS N N 15 113.568 0.041 C 23 CYS H H 1 9.642 0.004 C 23 CYS HA H 1 5.060 0.008 C 23 CYS HBx H 1 3.254 0.007 C 23 CYS HBy H 1 3.677 0.008 C 23 CYS C C 13 175.487 0.000 C 23 CYS CA C 13 58.376 0.022 C 23 CYS CB C 13 31.383 0.017 C 23 CYS N N 15 119.782 0.021 C 24 ASP H H 1 8.949 0.009 C 24 ASP HA H 1 4.349 0.011 C 24 ASP HBx H 1 2.782 0.013 C 24 ASP HBy H 1 2.793 0.010 C 24 ASP C C 13 178.262 0.000 C 24 ASP CA C 13 58.127 0.015 C 24 ASP CB C 13 40.996 0.024 C 24 ASP N N 15 120.166 0.026 C 25 THR H H 1 8.261 0.003 C 25 THR HA H 1 4.048 0.001 C 25 THR HB H 1 4.431 0.005 C 25 THR HG2% H 1 1.271 0.002 C 25 THR C C 13 177.392 0.000 C 25 THR CA C 13 66.751 0.023 C 25 THR CB C 13 68.592 0.021 C 25 THR N N 15 116.950 0.033 C 26 CYS H H 1 9.039 0.008 C 26 CYS HA H 1 3.966 0.005 C 26 CYS HBy H 1 3.284 0.014 C 26 CYS HBx H 1 3.263 0.010 C 26 CYS C C 13 177.812 0.000 C 26 CYS CA C 13 65.183 0.023 C 26 CYS CB C 13 30.515 0.031 C 26 CYS N N 15 127.681 0.038 C 27 SER H H 1 8.739 0.003 C 27 SER HA H 1 4.334 0.007 C 27 SER HBy H 1 3.982 0.007 C 27 SER HBx H 1 3.980 0.007 C 27 SER C C 13 174.886 0.000 C 27 SER CA C 13 61.525 0.018 C 27 SER CB C 13 63.240 0.015 C 27 SER N N 15 113.441 0.051 C 28 ARG H H 1 7.165 0.004 C 28 ARG HA H 1 4.420 0.008 C 28 ARG HBx H 1 1.930 0.009 C 28 ARG HBy H 1 2.038 0.002 C 28 ARG HDy H 1 3.267 0.009 C 28 ARG HDx H 1 3.265 0.010 C 28 ARG HGx H 1 1.730 0.002 C 28 ARG HGy H 1 1.730 0.009 C 28 ARG C C 13 177.480 0.000 C 28 ARG CA C 13 57.562 0.027 C 28 ARG CB C 13 30.618 0.020 C 28 ARG N N 15 116.951 0.072 C 29 VAL H H 1 7.180 0.004 C 29 VAL HA H 1 3.955 0.007 C 29 VAL HB H 1 1.498 0.007 C 29 VAL HGx% H 1 0.669 0.006 C 29 VAL HGy% H 1 0.212 0.004 C 29 VAL C C 13 176.065 0.000 C 29 VAL CA C 13 63.842 0.050 C 29 VAL CB C 13 33.305 0.028 C 29 VAL N N 15 117.437 0.063 C 30 PHE H H 1 8.142 0.012 C 30 PHE HA H 1 5.172 0.017 C 30 PHE HBx H 1 2.548 0.018 C 30 PHE HBy H 1 3.147 0.011 C 30 PHE HDx H 1 6.838 0.006 C 30 PHE HDy H 1 6.838 0.006 C 30 PHE HEx H 1 7.157 0.006 C 30 PHE HEy H 1 7.157 0.006 C 30 PHE HZ H 1 7.144 0.010 C 30 PHE C C 13 176.539 0.000 C 30 PHE CA C 13 54.799 0.018 C 30 PHE CB C 13 39.378 0.037 C 30 PHE N N 15 123.211 0.038 C 31 HIS H H 1 7.685 0.007 C 31 HIS HA H 1 3.736 0.005 C 31 HIS HBx H 1 3.147 0.004 C 31 HIS HBy H 1 3.498 0.007 C 31 HIS HD1 H 1 11.622 0.005 C 31 HIS HD2 H 1 7.204 0.006 C 31 HIS HE1 H 1 7.677 0.004 C 31 HIS C C 13 176.486 0.000 C 31 HIS CA C 13 63.365 0.042 C 31 HIS CB C 13 29.477 0.030 C 31 HIS N N 15 119.888 0.028 C 32 GLU H H 1 8.764 0.003 C 32 GLU HA H 1 4.188 0.005 C 32 GLU HBy H 1 2.235 0.010 C 32 GLU HBx H 1 2.212 0.010 C 32 GLU HGx H 1 2.561 0.007 C 32 GLU HGy H 1 2.561 0.009 C 32 GLU C C 13 180.770 0.000 C 32 GLU CA C 13 60.765 0.034 C 32 GLU CB C 13 29.253 0.003 C 32 GLU N N 15 114.077 0.019 C 33 ASP H H 1 8.359 0.003 C 33 ASP HA H 1 4.680 0.006 C 33 ASP HBy H 1 2.929 0.013 C 33 ASP HBx H 1 2.883 0.019 C 33 ASP C C 13 178.865 0.000 C 33 ASP CA C 13 56.903 0.033 C 33 ASP CB C 13 41.268 0.027 C 33 ASP N N 15 120.381 0.057 C 34 CYS H H 1 8.281 0.002 C 34 CYS HA H 1 4.565 0.007 C 34 CYS HBy H 1 3.295 0.010 C 34 CYS HBx H 1 2.643 0.009 C 34 CYS C C 13 174.421 0.000 C 34 CYS CA C 13 59.206 0.008 C 34 CYS CB C 13 42.851 0.025 C 34 CYS N N 15 116.794 0.052 C 35 HIS H H 1 7.759 0.007 C 35 HIS HA H 1 5.296 0.005 C 35 HIS HBx H 1 3.374 0.007 C 35 HIS HBy H 1 3.582 0.009 C 35 HIS HD1 H 1 11.402 0.003 C 35 HIS HD2 H 1 6.839 0.004 C 35 HIS HE1 H 1 7.907 0.006 C 35 HIS C C 13 174.513 0.000 C 35 HIS CA C 13 56.381 0.014 C 35 HIS CB C 13 30.010 0.038 C 35 HIS N N 15 117.507 0.003 C 36 ILE H H 1 7.718 0.006 C 36 ILE HA H 1 4.535 0.004 C 36 ILE HB H 1 2.143 0.004 C 36 ILE HD1% H 1 1.002 0.007 C 36 ILE HG1y H 1 1.800 0.006 C 36 ILE HG1x H 1 1.327 0.004 C 36 ILE HG2% H 1 0.937 0.012 C 36 ILE CA C 13 58.730 0.007 C 36 ILE CB C 13 37.798 0.025 C 36 ILE N N 15 125.930 0.064 C 37 PRO HA H 1 4.999 0.003 C 37 PRO HBx H 1 2.010 0.003 C 37 PRO HBy H 1 2.486 0.005 C 37 PRO HDy H 1 3.681 0.017 C 37 PRO HDx H 1 3.602 0.007 C 37 PRO HGy H 1 2.023 0.003 C 37 PRO HGx H 1 1.890 0.004 C 37 PRO CA C 13 63.220 0.018 C 37 PRO CB C 13 35.060 0.029 C 38 PRO HA H 1 4.429 0.007 C 38 PRO HBy H 1 2.157 0.006 C 38 PRO HBx H 1 2.156 0.005 C 38 PRO HDy H 1 3.062 0.011 C 38 PRO HDx H 1 2.884 0.010 C 38 PRO HGx H 1 1.794 0.016 C 38 PRO HGy H 1 1.824 0.016 C 38 PRO C C 13 176.427 0.000 C 38 PRO CA C 13 61.585 0.019 C 38 PRO CB C 13 32.452 0.015 C 39 VAL H H 1 8.222 0.004 C 39 VAL HA H 1 3.993 0.008 C 39 VAL HB H 1 2.131 0.007 C 39 VAL HGx% H 1 0.985 0.006 C 39 VAL HGy% H 1 0.988 0.005 C 39 VAL C C 13 176.261 0.000 C 39 VAL CA C 13 62.972 0.021 C 39 VAL CB C 13 31.773 0.004 C 39 VAL N N 15 118.069 0.045 C 40 GLU H H 1 8.453 0.002 C 40 GLU HA H 1 3.991 0.005 C 40 GLU HBx H 1 2.050 0.004 C 40 GLU HBy H 1 2.051 0.001 C 40 GLU HGx H 1 2.303 0.003 C 40 GLU HGy H 1 2.304 0.002 C 40 GLU C C 13 177.398 0.000 C 40 GLU CA C 13 58.663 0.014 C 40 GLU CB C 13 29.603 0.008 C 40 GLU N N 15 122.725 0.017 C 41 ALA H H 1 8.363 0.006 C 41 ALA HA H 1 4.238 0.011 C 41 ALA HB% H 1 1.435 0.003 C 41 ALA C C 13 178.127 0.000 C 41 ALA CA C 13 53.708 0.010 C 41 ALA CB C 13 19.121 0.017 C 41 ALA N N 15 121.993 0.049 C 42 GLU H H 1 8.173 0.001 C 42 GLU HA H 1 4.449 0.004 C 42 GLU HBy H 1 1.865 0.007 C 42 GLU HBx H 1 1.862 0.008 C 42 GLU HGx H 1 2.219 0.008 C 42 GLU HGy H 1 2.219 0.008 C 42 GLU C C 13 175.760 0.000 C 42 GLU CA C 13 55.900 0.047 C 42 GLU CB C 13 30.124 0.007 C 42 GLU N N 15 117.596 0.026 C 43 ARG H H 1 7.922 0.006 C 43 ARG HA H 1 4.299 0.007 C 43 ARG HBx H 1 1.854 0.009 C 43 ARG HBy H 1 2.005 0.006 C 43 ARG HDy H 1 3.246 0.010 C 43 ARG HDx H 1 3.240 0.005 C 43 ARG HGx H 1 1.674 0.018 C 43 ARG HGy H 1 1.690 0.014 C 43 ARG C C 13 175.397 0.000 C 43 ARG CA C 13 56.932 0.013 C 43 ARG CB C 13 31.286 0.034 C 43 ARG N N 15 120.615 0.040 C 44 THR H H 1 7.722 0.002 C 44 THR HA H 1 4.551 0.006 C 44 THR HB H 1 4.100 0.007 C 44 THR HG2% H 1 1.228 0.007 C 44 THR CA C 13 58.765 0.013 C 44 THR CB C 13 70.440 0.026 C 44 THR N N 15 113.684 0.055 C 45 PRO HA H 1 4.848 0.008 C 45 PRO HBy H 1 2.430 0.004 C 45 PRO HBx H 1 2.133 0.004 C 45 PRO HDy H 1 3.506 0.004 C 45 PRO HDx H 1 3.505 0.001 C 45 PRO HGx H 1 1.697 0.010 C 45 PRO HGy H 1 1.949 0.005 C 45 PRO C C 13 175.546 0.000 C 45 PRO CA C 13 63.026 0.017 C 45 PRO CB C 13 34.506 0.017 C 46 TRP H H 1 8.523 0.006 C 46 TRP HA H 1 4.449 0.009 C 46 TRP HBx H 1 3.330 0.023 C 46 TRP HBy H 1 3.416 0.019 C 46 TRP HD1 H 1 7.482 0.004 C 46 TRP HE1 H 1 10.185 0.005 C 46 TRP HE3 H 1 7.479 0.009 C 46 TRP HH2 H 1 6.953 0.009 C 46 TRP HZ2 H 1 7.296 0.009 C 46 TRP HZ3 H 1 7.019 0.011 C 46 TRP C C 13 176.173 0.000 C 46 TRP CA C 13 58.942 0.021 C 46 TRP CB C 13 29.741 0.030 C 46 TRP N N 15 122.827 0.023 C 47 ASN H H 1 7.776 0.004 C 47 ASN HA H 1 4.541 0.004 C 47 ASN HBx H 1 2.482 0.020 C 47 ASN HBy H 1 2.540 0.018 C 47 ASN HD21 H 1 7.402 0.002 C 47 ASN HD22 H 1 6.854 0.000 C 47 ASN C C 13 172.555 0.000 C 47 ASN CA C 13 52.591 0.022 C 47 ASN CB C 13 41.257 0.030 C 47 ASN N N 15 122.236 0.020 C 48 CYS H H 1 8.237 0.004 C 48 CYS HA H 1 4.291 0.005 C 48 CYS HBx H 1 3.078 0.008 C 48 CYS HBy H 1 3.143 0.007 C 48 CYS C C 13 176.923 0.000 C 48 CYS CA C 13 58.946 0.020 C 48 CYS CB C 13 30.101 0.025 C 48 CYS N N 15 123.430 0.060 C 49 ILE H H 1 8.209 0.002 C 49 ILE HA H 1 3.743 0.006 C 49 ILE HB H 1 1.620 0.007 C 49 ILE HD1% H 1 0.802 0.010 C 49 ILE HG1x H 1 1.181 0.013 C 49 ILE HG1y H 1 1.183 0.013 C 49 ILE HG2% H 1 0.634 0.008 C 49 ILE C C 13 176.658 0.000 C 49 ILE CA C 13 64.910 0.007 C 49 ILE CB C 13 38.888 0.010 C 49 ILE N N 15 126.493 0.041 C 50 PHE H H 1 8.264 0.003 C 50 PHE HA H 1 4.564 0.014 C 50 PHE HBx H 1 3.221 0.012 C 50 PHE HBy H 1 3.570 0.007 C 50 PHE HDx H 1 7.178 0.005 C 50 PHE HDy H 1 7.178 0.005 C 50 PHE HEx H 1 7.063 0.016 C 50 PHE HEy H 1 7.063 0.016 C 50 PHE HZ H 1 7.053 0.009 C 50 PHE C C 13 178.563 0.000 C 50 PHE CA C 13 61.473 0.027 C 50 PHE CB C 13 41.423 0.002 C 50 PHE N N 15 121.604 0.042 C 51 CYS H H 1 8.729 0.008 C 51 CYS HA H 1 4.404 0.006 C 51 CYS HBy H 1 3.035 0.010 C 51 CYS HBx H 1 3.026 0.012 C 51 CYS C C 13 177.436 0.000 C 51 CYS CA C 13 63.812 0.010 C 51 CYS CB C 13 30.650 0.009 C 51 CYS N N 15 125.154 0.030 C 52 ARG H H 1 7.834 0.002 C 52 ARG HA H 1 4.157 0.012 C 52 ARG HBx H 1 1.801 0.001 C 52 ARG HBy H 1 1.809 0.012 C 52 ARG HDy H 1 3.033 0.003 C 52 ARG HDx H 1 3.030 0.004 C 52 ARG HGy H 1 1.483 0.008 C 52 ARG HGx H 1 1.480 0.008 C 52 ARG C C 13 176.497 0.000 C 52 ARG CA C 13 57.490 0.018 C 52 ARG CB C 13 29.109 0.013 C 52 ARG N N 15 117.911 0.037 C 53 MET H H 1 7.845 0.003 C 53 MET HA H 1 4.410 0.014 C 53 MET HBx H 1 2.644 0.013 C 53 MET HBy H 1 2.650 0.009 C 53 MET HGx H 1 2.196 0.000 C 53 MET HGy H 1 2.198 0.006 C 53 MET C C 13 176.524 0.000 C 53 MET CA C 13 56.508 0.004 C 53 MET CB C 13 32.398 0.327 C 53 MET N N 15 119.532 0.043 C 54 LYS H H 1 7.953 0.010 C 54 LYS HA H 1 4.473 0.009 C 54 LYS HBx H 1 1.943 0.026 C 54 LYS HBy H 1 1.962 0.021 C 54 LYS HDy H 1 1.787 0.004 C 54 LYS HDx H 1 1.783 0.005 C 54 LYS HEx H 1 3.075 0.001 C 54 LYS HEy H 1 3.076 0.003 C 54 LYS HGx H 1 1.555 0.012 C 54 LYS HGy H 1 1.574 0.022 C 54 LYS C C 13 176.646 0.000 C 54 LYS CA C 13 56.740 0.010 C 54 LYS CB C 13 33.209 0.037 C 54 LYS N N 15 121.317 0.022 C 55 GLU H H 1 8.300 0.003 C 55 GLU HA H 1 4.395 0.008 C 55 GLU HBx H 1 2.013 0.004 C 55 GLU HBy H 1 2.181 0.005 C 55 GLU HGy H 1 2.356 0.018 C 55 GLU HGx H 1 2.342 0.020 C 55 GLU C C 13 175.746 0.000 C 55 GLU CA C 13 56.677 0.015 C 55 GLU CB C 13 30.439 0.007 C 55 GLU N N 15 122.145 0.054 C 56 SER H H 1 8.011 0.004 C 56 SER HA H 1 4.323 0.004 C 56 SER HBy H 1 3.924 0.000 C 56 SER HBx H 1 3.917 0.008 C 56 SER CA C 13 60.049 0.032 C 56 SER CB C 13 64.807 0.005 C 56 SER N N 15 122.834 0.051 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 C 30 PHE HBx C 30 PHE HDy 1.0 1.888 4.220 2 1 C 30 PHE HBx C 30 PHE HDx 1.0 1.888 4.220 3 2 C 30 PHE HDy C 30 PHE HZ 1.0 1.788 6.000 4 2 C 30 PHE HDx C 30 PHE HZ 1.0 1.788 6.000 5 3 C 29 VAL HB C 30 PHE HEy 1.0 1.987 5.365 6 3 C 29 VAL HB C 30 PHE HEx 1.0 1.987 5.365 7 4 C 30 PHE HEy C 29 VAL HGx% 1.0 1.996 6.350 8 4 C 30 PHE HEx C 29 VAL HGx% 1.0 1.996 6.350 9 5 C 30 PHE HEy C 29 VAL HGy% 1.0 1.977 5.173 10 5 C 30 PHE HEx C 29 VAL HGy% 1.0 1.977 5.173 11 6 C 35 HIS HBx C 35 HIS HD2 1.0 1.804 3.692 12 7 C 35 HIS HD2 C 35 HIS HBy 1.0 2.000 5.868 13 8 C 35 HIS HE1 C 20 LEU HDx% 1.0 1.907 4.369 14 9 C 35 HIS HE1 C 13 VAL HGy% 1.0 1.935 4.621 15 10 C 31 HIS HBx C 31 HIS HD2 1.0 1.824 3.798 16 11 C 35 HIS HD2 C 31 HIS HD2 1.0 1.846 6.000 17 12 C 30 PHE HDy C 29 VAL HB 1.0 1.985 5.313 18 12 C 30 PHE HDx C 29 VAL HB 1.0 1.985 5.313 19 13 C 30 PHE HDy C 29 VAL HA 1.0 1.999 5.879 20 13 C 30 PHE HDx C 29 VAL HA 1.0 1.999 5.879 21 14 C 30 PHE HDy C 30 PHE HBy 1.0 1.874 4.116 22 14 C 30 PHE HDx C 30 PHE HBy 1.0 1.874 4.116 23 15 C 30 PHE HDy C 30 PHE HEy 1.0 1.882 4.174 24 15 C 30 PHE HDx C 30 PHE HEy 1.0 1.882 4.174 25 15 C 30 PHE HDx C 30 PHE HEx 1.0 1.882 4.174 26 15 C 30 PHE HDy C 30 PHE HEx 1.0 1.882 4.174 27 16 C 30 PHE HZ C 29 VAL HGy% 1.0 1.981 5.237 28 17 C 30 PHE HBx C 30 PHE HEy 1.0 1.996 5.642 29 17 C 30 PHE HBx C 30 PHE HEx 1.0 1.996 5.642 30 18 C 20 LEU HDx% C 31 HIS HE1 1.0 1.707 3.229 31 19 C 48 CYS HBx C 46 TRP HH2 1.0 1.996 5.624 32 20 C 46 TRP HA C 46 TRP HE3 1.0 1.936 7.504 33 21 C 46 TRP HE3 C 46 TRP HBx 1.0 1.935 7.511 34 22 C 50 PHE HBy C 50 PHE HDy 1.0 1.896 4.274 35 22 C 50 PHE HBy C 50 PHE HDx 1.0 1.896 4.274 36 23 C 50 PHE HDy C 50 PHE HA 1.0 1.951 4.789 37 23 C 50 PHE HDx C 50 PHE HA 1.0 1.951 4.789 38 24 C 30 PHE HBy C 50 PHE HEy 1.0 1.992 6.510 39 24 C 30 PHE HBy C 50 PHE HEx 1.0 1.992 6.510 40 25 C 50 PHE HZ C 49 ILE HD1% 1.0 1.959 4.907 41 26 C 50 PHE HDy C 49 ILE HB 1.0 1.992 6.490 42 26 C 50 PHE HDx C 49 ILE HB 1.0 1.992 6.490 43 27 C 36 ILE HB C 36 ILE HD1% 1.0 1.747 3.405 44 28 C 36 ILE HD1% C 36 ILE HG1x 1.0 1.644 2.982 45 29 C 36 ILE HD1% C 36 ILE HG1y 1.0 1.615 2.875 46 30 C 50 PHE HBy C 50 PHE HA 1.0 1.962 4.934 47 31 C 50 PHE HA C 50 PHE HBx 1.0 1.865 4.055 48 32 C 30 PHE HBx C 30 PHE HBy 1.0 1.475 2.427 49 33 C 37 PRO HA C 37 PRO HBy 1.0 1.940 4.672 50 34 C 37 PRO HA C 37 PRO HBx 1.0 1.808 3.714 51 35 C 37 PRO HBy C 37 PRO HBx 1.0 1.567 2.711 52 36 C 37 PRO HDy C 37 PRO HGx 1.0 1.887 4.209 53 37 C 37 PRO HDx C 37 PRO HGy 1.0 1.996 5.632 54 38 C 37 PRO HBx C 37 PRO HGx 1.0 1.826 3.816 55 39 C 37 PRO HBx C 37 PRO HGy 1.0 1.996 6.378 56 40 C 34 CYS HBy C 34 CYS HA 1.0 1.745 3.399 57 41 C 20 LEU HDx% C 20 LEU HA 1.0 1.957 4.867 58 42 C 35 HIS HE1 C 14 CYS HA 1.0 1.839 3.895 59 43 C 14 CYS HA C 14 CYS HBx 1.0 1.759 3.463 60 44 C 14 CYS HA C 14 CYS HBy 1.0 1.680 3.120 61 45 C 13 VAL HGy% C 14 CYS HA 1.0 1.953 4.817 62 46 C 31 HIS HBx C 31 HIS HBy 1.0 1.415 2.259 63 47 C 11 CYS HBx C 11 CYS HA 1.0 1.856 4.002 64 48 C 22 CYS HBy C 22 CYS HBx 1.0 1.508 2.522 65 49 C 30 PHE HBy C 30 PHE HA 1.0 1.698 3.194 66 50 C 30 PHE HBx C 30 PHE HA 1.0 1.921 4.487 67 51 C 29 VAL HB C 29 VAL HA 1.0 1.720 3.288 68 52 C 29 VAL HGx% C 29 VAL HA 1.0 1.598 2.814 69 53 C 29 VAL HB C 29 VAL HGx% 1.0 1.572 2.726 70 54 C 29 VAL HGx% C 29 VAL HGy% 1.0 1.449 2.351 71 55 C 16 ASP HBx C 13 VAL HA 1.0 1.995 5.613 72 56 C 13 VAL HGy% C 13 VAL HA 1.0 1.607 2.845 73 57 C 13 VAL HA C 16 ASP HBy 1.0 1.740 3.374 74 58 C 13 VAL HGy% C 18 GLY HAy 1.0 1.936 4.628 75 59 C 13 VAL HGy% C 18 GLY HAx 1.0 1.529 2.591 76 60 C 13 VAL HGy% C 16 ASP HBy 1.0 1.980 5.218 77 61 C 13 VAL HGy% C 13 VAL HB 1.0 1.540 2.622 78 62 C 13 VAL HA C 13 VAL HGx% 1.0 1.713 3.255 79 63 C 16 ASP HBy C 13 VAL HGx% 1.0 2.000 5.930 80 64 C 13 VAL HB C 13 VAL HGx% 1.0 1.437 2.317 81 65 C 13 VAL HGy% C 13 VAL HGx% 1.0 1.359 2.111 82 66 C 3 MET HGy C 3 MET HA 1.0 1.818 3.770 83 67 C 3 MET HA C 3 MET HBx 1.0 1.621 2.899 84 68 C 3 MET HBx C 3 MET HGx 1.0 1.690 3.160 85 69 C 3 MET HGy C 3 MET HBy 1.0 1.690 3.160 86 70 C 7 ASN HA C 7 ASN HBy 1.0 1.749 3.417 87 71 C 7 ASN HA C 7 ASN HBx 1.0 1.780 3.568 88 72 C 7 ASN HBy C 7 ASN HBx 1.0 1.360 2.116 89 73 C 8 LEU HBx C 8 LEU HDx% 1.0 1.670 3.082 90 74 C 8 LEU HDx% C 8 LEU HBy 1.0 1.740 3.374 91 75 C 8 LEU HBy C 8 LEU HA 1.0 1.782 3.578 92 76 C 8 LEU HA C 8 LEU HDy% 1.0 1.580 2.756 93 77 C 8 LEU HDy% C 8 LEU HG 1.0 1.456 2.372 94 78 C 8 LEU HDx% C 8 LEU HG 1.0 1.426 2.288 95 79 C 9 ASP HBy C 9 ASP HA 1.0 1.723 3.299 96 80 C 9 ASP HA C 9 ASP HBx 1.0 1.818 3.766 97 81 C 12 GLU HGx C 12 GLU HA 1.0 1.844 3.916 98 82 C 12 GLU HA C 12 GLU HBy 1.0 1.651 3.009 99 83 C 12 GLU HA C 15 ARG HGy 1.0 1.981 5.235 100 84 C 12 GLU HA C 12 GLU HBx 1.0 1.690 3.158 101 85 C 15 ARG HGy C 15 ARG HA 1.0 1.791 3.623 102 86 C 16 ASP HBx C 15 ARG HA 1.0 1.957 7.217 103 87 C 15 ARG HA C 16 ASP HA 1.0 2.000 5.938 104 88 C 15 ARG HA C 15 ARG HGx 1.0 1.793 3.633 105 89 C 16 ASP HBx C 16 ASP HA 1.0 1.740 3.372 106 90 C 16 ASP HBy C 16 ASP HA 1.0 1.893 4.255 107 91 C 17 GLY HAy C 17 GLY HAx 1.0 1.424 2.284 108 92 C 18 GLY HAy C 18 GLY HAx 1.0 1.325 2.029 109 93 C 35 HIS HBx C 35 HIS HBy 1.0 1.406 2.236 110 94 C 36 ILE HB C 36 ILE HA 1.0 1.854 3.980 111 95 C 36 ILE HB C 36 ILE HG1x 1.0 1.690 3.158 112 96 C 36 ILE HB C 36 ILE HG1y 1.0 1.856 3.992 113 97 C 36 ILE HB C 36 ILE HG2% 1.0 1.562 2.696 114 98 C 36 ILE HG1y C 36 ILE HA 1.0 1.778 3.560 115 99 C 36 ILE HG1x C 36 ILE HA 1.0 1.901 4.319 116 100 C 36 ILE HG1x C 36 ILE HG1y 1.0 1.382 2.170 117 101 C 33 ASP HBy C 33 ASP HA 1.0 1.855 3.991 118 102 C 33 ASP HA C 33 ASP HBx 1.0 1.870 4.094 119 103 C 32 GLU HBy C 32 GLU HA 1.0 1.866 4.060 120 104 C 32 GLU HA C 32 GLU HBx 1.0 1.738 3.366 121 105 C 36 ILE HA C 36 ILE HG2% 1.0 1.656 3.024 122 106 C 36 ILE HG1x C 36 ILE HG2% 1.0 1.855 3.993 123 107 C 25 THR HB C 25 THR HA 1.0 1.763 3.481 124 108 C 25 THR HA C 28 ARG HBy 1.0 1.809 3.715 125 109 C 25 THR HB C 25 THR HG2% 1.0 1.503 2.509 126 110 C 25 THR HA C 25 THR HG2% 1.0 1.617 2.881 127 111 C 25 THR HG2% C 28 ARG HDy 1.0 1.975 5.117 128 112 C 26 CYS HBx C 26 CYS HA 1.0 1.731 3.337 129 113 C 26 CYS HA C 26 CYS HBy 1.0 1.858 4.014 130 114 C 22 CYS HBy C 26 CYS HBx 1.0 1.799 3.665 131 115 C 22 CYS HBy C 26 CYS HBy 1.0 1.698 3.192 132 116 C 22 CYS HBx C 26 CYS HBy 1.0 2.000 6.056 133 117 C 28 ARG HBy C 28 ARG HDy 1.0 1.664 3.058 134 118 C 28 ARG HBy C 28 ARG HA 1.0 1.755 3.445 135 119 C 39 VAL HA C 39 VAL HGx% 1.0 1.699 3.195 136 120 C 39 VAL HGx% C 39 VAL HB 1.0 1.497 2.491 137 121 C 41 ALA HA C 41 ALA HB% 1.0 1.559 2.685 138 122 C 49 ILE HB C 49 ILE HG2% 1.0 1.660 3.040 139 123 C 49 ILE HD1% C 49 ILE HB 1.0 1.671 3.083 140 124 C 38 PRO HDy C 38 PRO HDx 1.0 1.450 2.356 141 125 C 50 PHE HBy C 50 PHE HBx 1.0 1.455 2.367 142 126 C 51 CYS HA C 51 CYS HBy 1.0 1.900 4.310 143 127 C 55 GLU HA C 55 GLU HBx 1.0 1.729 3.327 144 128 C 55 GLU HA C 55 GLU HBy 1.0 1.791 3.625 145 129 C 35 HIS HD2 C 32 GLU HA 1.0 1.780 3.568 146 130 C 35 HIS HBx C 13 VAL HGx% 1.0 1.924 4.518 147 131 C 10 GLU HA C 10 GLU HBy 1.0 1.685 3.141 148 132 C 35 HIS HD2 C 13 VAL HGy% 1.0 1.999 5.835 149 133 C 35 HIS HBy C 13 VAL HGy% 1.0 1.809 3.719 150 134 C 16 ASP HBx C 13 VAL HGx% 1.0 1.961 7.159 151 135 C 34 CYS HBy C 27 SER HA 1.0 1.877 4.141 152 136 C 29 VAL HB C 29 VAL HGy% 1.0 1.584 2.770 153 137 C 30 PHE HDx C 29 VAL HGy% 1.0 1.985 5.313 154 137 C 30 PHE HDy C 29 VAL HGy% 1.0 1.985 5.313 155 138 C 30 PHE HDx C 29 VAL HGx% 1.0 1.996 6.346 156 138 C 30 PHE HDy C 29 VAL HGx% 1.0 1.996 6.346 157 139 C 29 VAL HGx% C 28 ARG HBy 1.0 1.790 3.620 158 140 C 49 ILE HG2% C 21 PHE HBx 1.0 1.941 4.693 159 141 C 50 PHE HDy C 26 CYS HBy 1.0 1.990 6.578 160 141 C 50 PHE HDx C 26 CYS HBy 1.0 1.990 6.578 161 142 C 31 HIS HBy C 31 HIS HA 1.0 1.666 3.066 162 143 C 31 HIS HA C 34 CYS HBx 1.0 1.683 3.133 163 144 C 31 HIS HBx C 31 HIS HA 1.0 1.845 3.929 164 145 C 34 CYS HBy C 31 HIS HA 1.0 1.984 5.290 165 146 C 35 HIS HBx C 13 VAL HGy% 1.0 1.999 5.805 166 147 C 35 HIS HBy C 13 VAL HGx% 1.0 1.888 4.214 167 148 C 14 CYS HA C 18 GLY HAx 1.0 1.960 4.902 168 149 C 8 LEU HBx C 8 LEU HA 1.0 1.785 3.597 169 150 C 31 HIS HD2 C 32 GLU HA 1.0 1.914 4.424 170 151 C 50 PHE HZ C 33 ASP HBy 1.0 1.787 3.601 171 152 C 30 PHE HDy C 26 CYS HA 1.0 1.992 5.484 172 152 C 30 PHE HDx C 26 CYS HA 1.0 1.992 5.484 173 153 C 50 PHE HZ C 33 ASP HBx 1.0 1.792 3.628 174 154 C 30 PHE HDy C 33 ASP HBx 1.0 1.840 8.426 175 154 C 30 PHE HDx C 33 ASP HBx 1.0 1.840 8.426 176 155 C 21 PHE HBx C 21 PHE HA 1.0 1.925 4.531 177 156 C 45 PRO HGx C 45 PRO HDy 1.0 1.877 4.139 178 157 C 46 TRP HA C 46 TRP HBx 1.0 1.908 4.380 179 158 C 45 PRO HA C 44 THR HB 1.0 1.870 4.086 180 159 C 44 THR HB C 44 THR HA 1.0 1.867 4.071 181 160 C 44 THR HB C 44 THR HG2% 1.0 1.720 3.286 182 161 C 48 CYS HBx C 48 CYS HA 1.0 1.892 4.248 183 162 C 48 CYS HA C 22 CYS HA 1.0 1.903 4.331 184 163 C 49 ILE HD1% C 21 PHE HBx 1.0 1.965 4.973 185 164 C 38 PRO HDx C 38 PRO HA 1.0 1.973 5.101 186 165 C 38 PRO HDy C 38 PRO HA 1.0 1.983 5.263 187 166 C 39 VAL HB C 39 VAL HGy% 1.0 1.511 2.533 188 167 C 39 VAL HA C 39 VAL HGy% 1.0 1.702 3.210 189 168 C 21 PHE HBy C 21 PHE HDy 1.0 1.881 4.165 190 168 C 21 PHE HBy C 21 PHE HDx 1.0 1.881 4.165 191 169 C 21 PHE HA C 21 PHE HBy 1.0 1.972 5.088 192 170 C 21 PHE HBx C 21 PHE HBy 1.0 1.478 2.436 193 171 C 49 ILE HG2% C 21 PHE HBy 1.0 1.932 4.594 194 172 C 22 CYS HA C 23 CYS HBx 1.0 1.927 7.601 195 173 C 22 CYS HBx C 22 CYS HA 1.0 1.977 5.167 196 174 C 22 CYS HBy C 22 CYS HA 1.0 1.745 3.399 197 175 C 20 LEU HDx% C 20 LEU HG 1.0 1.808 3.716 198 176 C 20 LEU HA C 20 LEU HBx 1.0 1.966 4.988 199 177 C 20 LEU HDx% C 20 LEU HBx 1.0 1.971 5.071 200 178 C 20 LEU HBx C 20 LEU HDy% 1.0 1.876 4.132 201 179 C 20 LEU HBx C 20 LEU HBy 1.0 1.385 2.179 202 180 C 20 LEU HDy% C 20 LEU HBy 1.0 1.979 5.187 203 181 C 20 LEU HDx% C 20 LEU HBy 1.0 1.680 3.120 204 182 C 34 CYS HBy C 20 LEU HDy% 1.0 1.905 4.357 205 183 C 34 CYS HBx C 20 LEU HDy% 1.0 1.995 5.613 206 184 C 22 CYS HBx C 20 LEU HG 1.0 1.989 5.417 207 185 C 23 CYS HBx C 23 CYS HBy 1.0 1.599 2.821 208 186 C 23 CYS HBy C 23 CYS HA 1.0 1.869 4.087 209 187 C 23 CYS HBx C 23 CYS HA 1.0 1.892 4.248 210 188 C 24 ASP HBy C 24 ASP HA 1.0 1.825 3.807 211 189 C 24 ASP HA C 24 ASP HBx 1.0 1.726 3.310 212 190 C 45 PRO HGx C 45 PRO HGy 1.0 1.634 2.942 213 191 C 45 PRO HDy C 45 PRO HGy 1.0 1.943 4.699 214 192 C 45 PRO HA C 45 PRO HBx 1.0 1.867 4.075 215 193 C 45 PRO HA C 45 PRO HBy 1.0 1.871 4.097 216 194 C 45 PRO HBx C 45 PRO HBy 1.0 1.549 2.651 217 195 C 45 PRO HGx C 45 PRO HBy 1.0 1.998 5.738 218 196 C 45 PRO HGy C 45 PRO HBx 1.0 1.961 4.929 219 197 C 45 PRO HGy C 45 PRO HBy 1.0 1.847 3.939 220 198 C 50 PHE HDy C 50 PHE HBx 1.0 1.922 4.496 221 198 C 50 PHE HDx C 50 PHE HBx 1.0 1.922 4.496 222 199 C 39 VAL HA C 39 VAL HB 1.0 1.744 3.392 223 200 C 34 CYS HA C 34 CYS HBx 1.0 1.766 3.500 224 201 C 20 LEU HDx% C 34 CYS HBy 1.0 1.982 5.264 225 202 C 30 PHE HBy C 33 ASP HBy 1.0 1.998 5.714 226 203 C 30 PHE HDy C 30 PHE HA 1.0 1.908 4.376 227 203 C 30 PHE HDx C 30 PHE HA 1.0 1.908 4.376 228 204 C 4 GLY HAx C 5 MET HA 1.0 1.860 6.000 229 205 C 5 MET HBx C 5 MET HGx 1.0 1.697 3.193 230 206 C 5 MET HBx C 5 MET HGy 1.0 1.852 3.974 231 207 C 2 ALA HA C 2 ALA HB% 1.0 1.747 3.407 232 208 C 8 LEU HA C 8 LEU HG 1.0 1.865 4.063 233 209 C 45 PRO HA C 44 THR HA 1.0 1.706 3.230 234 210 C 46 TRP HA C 46 TRP HBy 1.0 1.930 4.570 235 211 C 49 ILE HD1% C 34 CYS HA 1.0 1.711 3.249 236 212 C 49 ILE HG2% C 49 ILE HA 1.0 1.817 3.765 237 213 C 19 GLU HA C 19 GLU HGx 1.0 1.930 4.576 238 214 C 10 GLU HA C 10 GLU HBx 1.0 1.837 3.883 239 215 C 45 PRO HA C 44 THR HG2% 1.0 1.993 5.537 240 216 C 47 ASN HBy C 47 ASN HA 1.0 1.957 4.875 241 217 C 36 ILE HD1% C 33 ASP HA 1.0 1.840 3.900 242 218 C 36 ILE HD1% C 36 ILE HA 1.0 1.981 5.239 243 219 C 35 HIS HBx C 32 GLU HA 1.0 1.952 4.808 244 220 C 30 PHE HEy C 26 CYS HBx 1.0 1.977 6.000 245 220 C 30 PHE HEx C 26 CYS HBx 1.0 1.977 6.000 246 221 C 30 PHE HDy C 26 CYS HBx 1.0 1.982 5.266 247 221 C 30 PHE HDx C 26 CYS HBx 1.0 1.982 5.266 248 222 C 27 SER HA C 31 HIS HA 1.0 1.822 3.794 249 223 C 27 SER HA C 34 CYS HBx 1.0 1.877 4.137 250 224 C 13 VAL HA C 13 VAL HB 1.0 1.722 3.298 251 225 C 35 HIS HD2 C 13 VAL HGx% 1.0 1.948 4.754 252 226 C 31 HIS HD2 C 11 CYS HBy 1.0 1.930 4.574 253 227 C 8 LEU HDx% C 6 ARG HA 1.0 1.932 4.600 254 228 C 38 PRO HDy C 38 PRO HGx 1.0 1.741 3.379 255 229 C 19 GLU HGx C 19 GLU HBy 1.0 1.676 3.102 256 230 C 11 CYS HBx C 8 LEU HBx 1.0 1.950 4.776 257 231 C 38 PRO HDx C 38 PRO HGy 1.0 1.724 3.302 258 232 C 38 PRO HDx C 38 PRO HGx 1.0 1.894 4.258 259 233 C 38 PRO HDy C 38 PRO HGy 1.0 1.964 4.956 260 234 C 38 PRO HA C 38 PRO HGx 1.0 1.998 6.240 261 235 C 49 ILE HD1% C 21 PHE HBy 1.0 1.770 3.516 262 236 C 49 ILE HB C 49 ILE HA 1.0 1.804 3.688 263 237 C 35 HIS HE1 C 18 GLY HAx 1.0 1.993 5.531 264 238 C 18 GLY HAx C 13 VAL HGx% 1.0 1.986 5.350 265 239 C 11 CYS HBx C 11 CYS HBy 1.0 1.289 1.943 266 240 C 29 VAL HGy% C 28 ARG HBy 1.0 1.992 5.502 267 241 C 29 VAL HGy% C 29 VAL HA 1.0 1.738 3.366 268 242 C 35 HIS HE1 C 20 LEU HG 1.0 1.961 4.921 269 243 C 20 LEU HG C 20 LEU HDy% 1.0 1.811 3.733 270 244 C 50 PHE HA C 49 ILE HA 1.0 1.995 5.619 271 245 C 44 THR HA C 44 THR HG2% 1.0 1.825 3.803 272 246 C 44 THR HB C 43 ARG HA 1.0 1.998 5.742 273 247 C 39 VAL HGx% C 38 PRO HA 1.0 1.971 5.081 274 248 C 45 PRO HGx C 45 PRO HBx 1.0 1.955 4.845 275 249 C 35 HIS HBy C 35 HIS HA 1.0 1.652 3.012 276 250 C 35 HIS HBx C 35 HIS HA 1.0 1.830 3.832 277 251 C 8 LEU HDx% C 28 ARG HA 1.0 1.475 6.000 278 252 C 19 GLU HA C 19 GLU HGy 1.0 1.749 3.417 279 253 C 19 GLU HBy C 19 GLU HGy 1.0 1.940 4.676 280 254 C 19 GLU HA C 19 GLU HBy 1.0 1.806 3.704 281 255 C 19 GLU HBy C 19 GLU HBx 1.0 1.436 2.316 282 256 C 34 CYS HBy C 34 CYS HBx 1.0 1.435 2.313 283 257 C 20 LEU HDx% C 34 CYS HBx 1.0 1.969 5.041 284 258 C 20 LEU HA C 20 LEU HDy% 1.0 1.934 4.608 285 259 C 35 HIS HE1 C 20 LEU HA 1.0 1.992 5.512 286 260 C 20 LEU HA C 20 LEU HBy 1.0 1.711 3.245 287 261 C 11 CYS HA C 11 CYS HBy 1.0 1.682 3.128 288 262 C 8 LEU HDx% C 8 LEU HA 1.0 1.925 4.523 289 263 C 29 VAL HGx% C 28 ARG HBx 1.0 1.904 4.344 290 264 C 31 HIS H C 32 GLU H 1.0 1.844 3.924 291 265 C 30 PHE H C 31 HIS H 1.0 1.831 3.843 292 266 C 29 VAL H C 31 HIS H 1.0 1.952 4.810 293 267 C 30 PHE HA C 31 HIS H 1.0 1.785 3.593 294 268 C 29 VAL HA C 31 HIS H 1.0 1.983 5.293 295 269 C 31 HIS HA C 31 HIS H 1.0 1.765 3.493 296 270 C 31 HIS HBy C 31 HIS H 1.0 1.620 2.890 297 271 C 34 CYS HBx C 31 HIS H 1.0 1.990 5.442 298 272 C 31 HIS HBx C 31 HIS H 1.0 1.676 3.102 299 273 C 29 VAL HA C 29 VAL H 1.0 1.714 3.264 300 274 C 28 ARG HDy C 28 ARG H 1.0 1.977 5.165 301 275 C 29 VAL HB C 29 VAL H 1.0 1.730 6.000 302 276 C 28 ARG HGx C 28 ARG H 1.0 1.767 3.501 303 277 C 29 VAL HGx% C 29 VAL H 1.0 1.667 3.067 304 278 C 29 VAL HGy% C 29 VAL H 1.0 1.836 3.874 305 279 C 27 SER H C 28 ARG H 1.0 1.757 3.453 306 280 C 28 ARG HBy C 28 ARG H 1.0 1.497 2.493 307 281 C 7 ASN HD21 C 7 ASN HD22 1.0 1.305 1.981 308 282 C 7 ASN HBx C 7 ASN HD22 1.0 1.998 5.722 309 283 C 7 ASN HBx C 7 ASN HD21 1.0 1.937 7.485 310 284 C 7 ASN HBy C 7 ASN HD22 1.0 1.784 3.586 311 285 C 7 ASN HBy C 7 ASN HD21 1.0 1.987 6.653 312 286 C 2 ALA HB% C 2 ALA H 1.0 1.999 6.213 313 287 C 5 MET HGy C 6 ARG H 1.0 2.000 6.030 314 288 C 5 MET HBx C 6 ARG H 1.0 1.995 5.633 315 289 C 8 LEU HA C 8 LEU H 1.0 1.764 3.488 316 290 C 7 ASN HBx C 8 LEU H 1.0 1.986 5.352 317 291 C 7 ASN HBy C 8 LEU H 1.0 1.997 5.691 318 292 C 8 LEU HA C 9 ASP H 1.0 1.653 3.015 319 293 C 9 ASP H C 10 GLU H 1.0 1.638 2.960 320 294 C 9 ASP HA C 10 GLU H 1.0 1.842 3.912 321 295 C 10 GLU HA C 10 GLU H 1.0 1.786 3.600 322 296 C 11 CYS H C 12 GLU H 1.0 1.999 5.785 323 297 C 10 GLU HA C 11 CYS H 1.0 1.721 6.000 324 298 C 11 CYS HBx C 11 CYS H 1.0 1.691 3.167 325 299 C 11 CYS HBy C 11 CYS H 1.0 1.624 2.908 326 300 C 11 CYS HA C 12 GLU H 1.0 1.572 2.730 327 301 C 12 GLU HA C 12 GLU H 1.0 1.836 3.872 328 302 C 13 VAL HA C 12 GLU H 1.0 1.934 7.522 329 303 C 11 CYS HBx C 12 GLU H 1.0 1.999 6.163 330 304 C 11 CYS HBy C 12 GLU H 1.0 1.995 6.413 331 305 C 12 GLU HGy C 12 GLU H 1.0 1.999 6.247 332 306 C 12 GLU HBy C 12 GLU H 1.0 1.685 3.137 333 307 C 13 VAL HB C 12 GLU H 1.0 1.964 7.120 334 308 C 13 VAL HGx% C 12 GLU H 1.0 1.995 6.379 335 309 C 12 GLU H C 13 VAL H 1.0 1.688 3.152 336 310 C 13 VAL H C 14 CYS H 1.0 1.633 2.939 337 311 C 11 CYS HA C 13 VAL H 1.0 1.945 4.723 338 312 C 12 GLU HA C 13 VAL H 1.0 1.898 4.296 339 313 C 13 VAL HA C 13 VAL H 1.0 1.762 3.480 340 314 C 11 CYS HBx C 13 VAL H 1.0 1.964 4.958 341 315 C 11 CYS HBy C 13 VAL H 1.0 2.000 6.088 342 316 C 12 GLU HGx C 13 VAL H 1.0 1.999 5.783 343 317 C 12 GLU HBy C 13 VAL H 1.0 1.721 3.291 344 318 C 13 VAL HB C 13 VAL H 1.0 1.574 2.732 345 319 C 13 VAL HGx% C 13 VAL H 1.0 1.558 2.684 346 320 C 13 VAL HGy% C 13 VAL H 1.0 1.934 4.612 347 321 C 14 CYS H C 16 ASP H 1.0 1.999 6.173 348 322 C 16 ASP H C 18 GLY H 1.0 1.904 4.344 349 323 C 14 CYS H C 15 ARG H 1.0 1.705 3.223 350 324 C 14 CYS HA C 14 CYS H 1.0 1.819 3.775 351 325 C 14 CYS HBx C 14 CYS H 1.0 1.559 2.685 352 326 C 14 CYS HBy C 14 CYS H 1.0 1.962 4.934 353 327 C 13 VAL HB C 14 CYS H 1.0 1.797 6.000 354 328 C 13 VAL HGx% C 14 CYS H 1.0 1.827 3.815 355 329 C 13 VAL HGy% C 14 CYS H 1.0 1.886 4.198 356 330 C 15 ARG HA C 15 ARG H 1.0 1.724 3.306 357 331 C 14 CYS HA C 15 ARG H 1.0 1.875 4.127 358 332 C 13 VAL HA C 15 ARG H 1.0 1.973 5.107 359 333 C 14 CYS HBx C 15 ARG H 1.0 1.708 3.236 360 334 C 14 CYS HBy C 15 ARG H 1.0 1.844 3.924 361 335 C 16 ASP HBy C 15 ARG H 1.0 1.993 6.507 362 336 C 13 VAL HB C 15 ARG H 1.0 1.998 5.714 363 337 C 13 VAL HGx% C 15 ARG H 1.0 1.995 6.385 364 338 C 13 VAL HGy% C 15 ARG H 1.0 1.997 6.263 365 339 C 15 ARG H C 16 ASP H 1.0 1.694 3.178 366 340 C 16 ASP H C 17 GLY H 1.0 1.679 3.113 367 341 C 16 ASP HA C 16 ASP H 1.0 1.796 3.654 368 342 C 15 ARG HA C 16 ASP H 1.0 1.899 4.301 369 343 C 14 CYS HA C 16 ASP H 1.0 1.981 5.229 370 344 C 13 VAL HA C 16 ASP H 1.0 1.858 4.012 371 345 C 16 ASP HBx C 16 ASP H 1.0 1.864 4.052 372 346 C 16 ASP HBy C 16 ASP H 1.0 1.588 2.782 373 347 C 15 ARG HGy C 16 ASP H 1.0 1.951 4.797 374 348 C 13 VAL HGy% C 16 ASP H 1.0 2.000 5.994 375 349 C 13 VAL HGx% C 16 ASP H 1.0 1.994 6.458 376 350 C 17 GLY H C 18 GLY H 1.0 1.666 3.062 377 351 C 34 CYS H C 35 HIS H 1.0 1.718 3.280 378 352 C 34 CYS H C 32 GLU H 1.0 1.824 3.806 379 353 C 16 ASP HA C 17 GLY H 1.0 1.885 4.195 380 354 C 17 GLY HAx C 17 GLY H 1.0 1.830 3.838 381 355 C 15 ARG HA C 17 GLY H 1.0 1.907 4.369 382 356 C 17 GLY HAy C 17 GLY H 1.0 1.616 2.878 383 357 C 18 GLY HAx C 17 GLY H 1.0 1.978 6.842 384 358 C 16 ASP HBx C 17 GLY H 1.0 2.000 6.014 385 359 C 16 ASP HBy C 17 GLY H 1.0 1.968 5.010 386 360 C 14 CYS HA C 18 GLY H 1.0 1.828 3.830 387 361 C 18 GLY HAy C 18 GLY H 1.0 1.768 3.508 388 362 C 17 GLY HAy C 18 GLY H 1.0 1.929 4.559 389 363 C 18 GLY HAx C 18 GLY H 1.0 1.567 2.709 390 364 C 16 ASP HBx C 18 GLY H 1.0 2.000 6.078 391 365 C 16 ASP HBy C 18 GLY H 1.0 1.949 4.771 392 366 C 13 VAL HGy% C 18 GLY H 1.0 1.903 4.339 393 367 C 49 ILE HA C 51 CYS H 1.0 2.000 5.944 394 368 C 18 GLY HAx C 19 GLU H 1.0 1.736 3.354 395 369 C 13 VAL HGy% C 19 GLU H 1.0 1.990 5.448 396 370 C 20 LEU HDx% C 20 LEU H 1.0 1.995 6.391 397 371 C 20 LEU HBy C 20 LEU H 1.0 1.659 3.039 398 372 C 20 LEU HA C 20 LEU H 1.0 1.860 4.028 399 373 C 25 THR H C 26 CYS H 1.0 1.704 3.220 400 374 C 24 ASP H C 25 THR H 1.0 1.789 3.613 401 375 C 25 THR HB C 25 THR H 1.0 1.614 2.872 402 376 C 25 THR HA C 25 THR H 1.0 1.730 3.330 403 377 C 24 ASP HBy C 25 THR H 1.0 1.743 3.385 404 378 C 25 THR HG2% C 25 THR H 1.0 1.977 5.161 405 379 C 25 THR HB C 26 CYS H 1.0 1.719 3.281 406 380 C 26 CYS HA C 26 CYS H 1.0 1.837 3.877 407 381 C 25 THR HG2% C 26 CYS H 1.0 1.986 5.350 408 382 C 26 CYS H C 27 SER H 1.0 1.766 3.498 409 383 C 27 SER HA C 27 SER H 1.0 1.799 3.667 410 384 C 27 SER HBy C 27 SER H 1.0 1.654 3.016 411 385 C 26 CYS HBy C 27 SER H 1.0 1.770 3.520 412 386 C 32 GLU HA C 32 GLU H 1.0 1.798 3.662 413 387 C 31 HIS HA C 32 GLU H 1.0 1.959 4.897 414 388 C 31 HIS HBy C 32 GLU H 1.0 1.998 5.744 415 389 C 31 HIS HBx C 32 GLU H 1.0 1.664 3.056 416 390 C 34 CYS HBx C 32 GLU H 1.0 1.998 5.772 417 391 C 33 ASP HBx C 32 GLU H 1.0 1.989 6.595 418 392 C 32 GLU HGx C 32 GLU H 1.0 1.961 4.921 419 393 C 32 GLU HBy C 32 GLU H 1.0 1.607 2.845 420 394 C 32 GLU H C 33 ASP H 1.0 1.708 3.234 421 395 C 30 PHE HA C 33 ASP H 1.0 1.997 5.723 422 396 C 33 ASP HA C 33 ASP H 1.0 1.790 3.616 423 397 C 32 GLU HA C 33 ASP H 1.0 1.944 4.720 424 398 C 34 CYS HBx C 33 ASP H 1.0 1.977 6.891 425 399 C 30 PHE HBy C 33 ASP H 1.0 1.961 4.923 426 400 C 33 ASP HBx C 33 ASP H 1.0 1.615 2.873 427 401 C 32 GLU HBy C 33 ASP H 1.0 1.689 3.157 428 402 C 34 CYS HA C 34 CYS H 1.0 1.814 3.748 429 403 C 33 ASP HA C 34 CYS H 1.0 1.941 4.687 430 404 C 31 HIS HA C 34 CYS H 1.0 1.939 4.659 431 405 C 34 CYS HBx C 34 CYS H 1.0 1.602 2.830 432 406 C 33 ASP HBx C 34 CYS H 1.0 1.772 3.528 433 407 C 34 CYS HBy C 34 CYS H 1.0 1.925 4.519 434 408 C 32 GLU HBy C 34 CYS H 1.0 1.999 6.153 435 409 C 33 ASP HA C 36 ILE H 1.0 2.000 6.058 436 410 C 36 ILE HA C 36 ILE H 1.0 1.865 4.057 437 411 C 36 ILE HB C 36 ILE H 1.0 1.764 3.490 438 412 C 36 ILE HG1x C 36 ILE H 1.0 1.835 3.863 439 413 C 36 ILE HG1y C 36 ILE H 1.0 1.966 4.994 440 414 C 36 ILE HG2% C 36 ILE H 1.0 1.996 5.612 441 415 C 53 MET H C 53 MET HA 1.0 1.815 3.753 442 416 C 53 MET H C 52 ARG HA 1.0 1.840 3.894 443 417 C 55 GLU HA C 56 SER H 1.0 1.640 2.968 444 418 C 55 GLU HBx C 56 SER H 1.0 1.903 4.335 445 419 C 55 GLU HBy C 56 SER H 1.0 2.000 5.862 446 420 C 19 GLU HBy C 19 GLU H 1.0 1.737 3.361 447 421 C 50 PHE HBx C 51 CYS H 1.0 2.000 5.924 448 422 C 35 HIS HD1 C 19 GLU H 1.0 1.995 5.619 449 423 C 20 LEU HBx C 20 LEU H 1.0 1.875 4.123 450 424 C 19 GLU HA C 20 LEU H 1.0 1.537 2.613 451 425 C 21 PHE HA C 21 PHE H 1.0 1.962 4.932 452 426 C 20 LEU HA C 21 PHE H 1.0 1.743 3.387 453 427 C 21 PHE HBx C 21 PHE H 1.0 1.985 6.691 454 428 C 21 PHE HBy C 21 PHE H 1.0 1.859 4.013 455 429 C 20 LEU HBx C 21 PHE H 1.0 1.993 5.535 456 430 C 21 PHE H C 22 CYS H 1.0 1.955 4.841 457 431 C 22 CYS HA C 22 CYS H 1.0 1.945 4.729 458 432 C 21 PHE HA C 22 CYS H 1.0 1.951 4.799 459 433 C 22 CYS HBy C 22 CYS H 1.0 1.999 6.177 460 434 C 22 CYS HBx C 22 CYS H 1.0 1.875 4.121 461 435 C 20 LEU HBx C 22 CYS H 1.0 1.889 4.227 462 436 C 46 TRP HH2 C 23 CYS H 1.0 1.993 6.473 463 437 C 22 CYS HA C 23 CYS H 1.0 1.858 4.012 464 438 C 23 CYS HA C 23 CYS H 1.0 1.946 4.736 465 439 C 23 CYS HBy C 23 CYS H 1.0 1.968 7.032 466 440 C 23 CYS HBx C 23 CYS H 1.0 1.844 3.922 467 441 C 48 CYS HBx C 23 CYS H 1.0 1.901 4.315 468 442 C 22 CYS HBx C 23 CYS H 1.0 1.946 7.364 469 443 C 23 CYS HA C 24 ASP H 1.0 1.877 4.137 470 444 C 24 ASP HA C 24 ASP H 1.0 1.948 4.760 471 445 C 23 CYS HBy C 24 ASP H 1.0 1.851 3.963 472 446 C 23 CYS HBx C 24 ASP H 1.0 2.000 6.092 473 447 C 30 PHE H C 29 VAL H 1.0 1.781 3.569 474 448 C 30 PHE HDy C 30 PHE H 1.0 1.999 6.149 475 448 C 30 PHE HDx C 30 PHE H 1.0 1.999 6.149 476 449 C 30 PHE HA C 30 PHE H 1.0 1.976 5.148 477 450 C 29 VAL HA C 30 PHE H 1.0 1.967 4.993 478 451 C 30 PHE HBy C 30 PHE H 1.0 1.992 6.490 479 452 C 30 PHE HBx C 30 PHE H 1.0 1.905 4.353 480 453 C 29 VAL HB C 30 PHE H 1.0 1.900 4.316 481 454 C 29 VAL HGx% C 30 PHE H 1.0 2.000 6.082 482 455 C 36 ILE HD1% C 33 ASP H 1.0 1.999 6.047 483 456 C 28 ARG HA C 29 VAL H 1.0 1.901 4.319 484 457 C 28 ARG HDy C 29 VAL H 1.0 1.995 6.417 485 458 C 28 ARG HBy C 29 VAL H 1.0 1.734 3.348 486 459 C 28 ARG HBx C 29 VAL H 1.0 1.929 4.571 487 460 C 28 ARG HGx C 29 VAL H 1.0 1.958 7.204 488 461 C 35 HIS HBy C 34 CYS H 1.0 1.968 7.036 489 462 C 35 HIS HA C 35 HIS H 1.0 1.939 4.671 490 463 C 34 CYS HA C 35 HIS H 1.0 1.986 5.358 491 464 C 35 HIS HBy C 35 HIS H 1.0 1.998 5.714 492 465 C 35 HIS HBx C 35 HIS H 1.0 1.744 3.394 493 466 C 42 GLU H C 43 ARG H 1.0 1.906 4.366 494 467 C 42 GLU H C 42 GLU HA 1.0 1.937 4.635 495 468 C 41 ALA HA C 42 GLU H 1.0 1.894 4.266 496 469 C 41 ALA HB% C 42 GLU H 1.0 1.977 5.167 497 470 C 43 ARG H C 42 GLU HA 1.0 1.911 4.397 498 471 C 43 ARG HA C 43 ARG H 1.0 1.946 4.732 499 472 C 43 ARG H C 44 THR H 1.0 1.831 3.845 500 473 C 44 THR HA C 44 THR H 1.0 1.920 4.482 501 474 C 43 ARG HA C 44 THR H 1.0 1.824 3.802 502 475 C 44 THR HB C 44 THR H 1.0 1.995 5.607 503 476 C 44 THR H C 43 ARG HBy 1.0 1.999 6.169 504 477 C 44 THR H C 43 ARG HBx 1.0 1.999 5.807 505 478 C 44 THR HG2% C 44 THR H 1.0 1.968 5.020 506 479 C 47 ASN HA C 48 CYS H 1.0 1.807 3.709 507 480 C 48 CYS HA C 48 CYS H 1.0 1.935 4.629 508 481 C 22 CYS HA C 49 ILE H 1.0 1.987 5.371 509 482 C 48 CYS HA C 49 ILE H 1.0 1.752 3.432 510 483 C 49 ILE HA C 49 ILE H 1.0 1.911 4.395 511 484 C 49 ILE HB C 49 ILE H 1.0 1.996 5.664 512 485 C 49 ILE HG2% C 49 ILE H 1.0 1.893 4.261 513 486 C 51 CYS H C 50 PHE H 1.0 1.895 4.265 514 487 C 50 PHE HDy C 50 PHE H 1.0 1.995 6.383 515 487 C 50 PHE HDx C 50 PHE H 1.0 1.995 6.383 516 488 C 50 PHE HA C 50 PHE H 1.0 1.953 4.811 517 489 C 49 ILE HA C 50 PHE H 1.0 1.996 5.650 518 490 C 50 PHE HBx C 50 PHE H 1.0 1.997 6.311 519 491 C 50 PHE HBy C 50 PHE H 1.0 1.948 4.770 520 492 C 49 ILE HB C 50 PHE H 1.0 1.999 5.811 521 493 C 49 ILE HG2% C 50 PHE H 1.0 1.911 7.773 522 494 C 51 CYS H C 52 ARG H 1.0 1.900 4.310 523 495 C 53 MET HA C 54 LYS H 1.0 1.871 4.093 524 496 C 54 LYS H C 55 GLU H 1.0 1.951 4.805 525 497 C 55 GLU H C 54 LYS HA 1.0 1.854 3.986 526 498 C 55 GLU HBx C 55 GLU H 1.0 1.999 5.823 527 499 C 55 GLU HBy C 55 GLU H 1.0 1.843 3.919 528 500 C 2 ALA HA C 2 ALA H 1.0 1.990 5.438 529 501 C 3 MET HA C 3 MET H 1.0 1.975 5.143 530 502 C 2 ALA HA C 3 MET H 1.0 1.979 5.195 531 503 C 3 MET HGy C 3 MET H 1.0 1.887 8.021 532 504 C 2 ALA HB% C 3 MET H 1.0 1.965 7.085 533 505 C 3 MET HA C 4 GLY H 1.0 1.950 4.776 534 506 C 47 ASN HD22 C 47 ASN HD21 1.0 1.491 2.475 535 507 C 30 PHE H C 28 ARG H 1.0 1.967 4.997 536 508 C 28 ARG HA C 28 ARG H 1.0 1.729 3.327 537 509 C 30 PHE HA C 29 VAL H 1.0 1.979 6.835 538 510 C 22 CYS HBx C 27 SER H 1.0 1.996 5.642 539 511 C 6 ARG HA C 7 ASN H 1.0 1.672 3.088 540 512 C 7 ASN HBx C 7 ASN H 1.0 1.872 4.104 541 513 C 7 ASN HBy C 7 ASN H 1.0 1.893 4.255 542 514 C 7 ASN HA C 8 LEU H 1.0 1.510 2.530 543 515 C 8 LEU HDy% C 8 LEU H 1.0 1.979 5.207 544 516 C 8 LEU HDx% C 8 LEU H 1.0 1.911 4.401 545 517 C 9 ASP HA C 9 ASP H 1.0 1.739 3.373 546 518 C 41 ALA HA C 41 ALA H 1.0 1.928 4.562 547 519 C 41 ALA H C 40 GLU HA 1.0 1.882 4.180 548 520 C 41 ALA HB% C 41 ALA H 1.0 1.761 3.471 549 521 C 46 TRP HBx C 46 TRP H 1.0 1.984 5.304 550 522 C 46 TRP HBy C 46 TRP H 1.0 1.945 4.727 551 523 C 44 THR HA C 46 TRP H 1.0 1.957 4.869 552 524 C 45 PRO HA C 46 TRP H 1.0 1.890 4.238 553 525 C 46 TRP HA C 47 ASN H 1.0 1.887 4.209 554 526 C 48 CYS HBx C 48 CYS H 1.0 1.851 3.969 555 527 C 48 CYS H C 48 CYS HBy 1.0 1.804 3.692 556 528 C 48 CYS H C 47 ASN HBx 1.0 1.934 4.612 557 529 C 47 ASN HBy C 48 CYS H 1.0 1.996 5.662 558 530 C 12 GLU HA C 14 CYS H 1.0 1.997 5.713 559 531 C 13 VAL HA C 14 CYS H 1.0 1.927 4.547 560 532 C 35 HIS HBy C 36 ILE H 1.0 1.937 7.491 561 533 C 35 HIS HBx C 36 ILE H 1.0 2.000 6.002 562 534 C 22 CYS HBy C 26 CYS H 1.0 2.000 5.864 563 535 C 20 LEU H C 21 PHE H 1.0 1.995 6.435 564 536 C 30 PHE HBx C 31 HIS H 1.0 1.996 5.636 565 537 C 43 ARG H C 43 ARG HBx 1.0 2.000 5.918 566 538 C 39 VAL HA C 39 VAL H 1.0 1.883 4.183 567 539 C 5 MET HA C 6 ARG H 1.0 1.621 2.897 568 540 C 49 ILE HD1% C 36 ILE H 1.0 1.956 4.848 569 541 C 9 ASP HBx C 9 ASP H 1.0 1.650 3.004 570 542 C 15 ARG HGy C 15 ARG HE 1.0 1.984 5.304 571 543 C 13 VAL HGy% C 17 GLY H 1.0 1.912 7.760 572 544 C 39 VAL HB C 39 VAL H 1.0 1.851 3.965 573 545 C 48 CYS H C 47 ASN H 1.0 1.995 5.595 574 546 C 51 CYS HBy C 51 CYS H 1.0 1.805 3.697 575 547 C 8 LEU HDy% C 9 ASP H 1.0 1.999 5.883 576 548 C 8 LEU HA C 11 CYS H 1.0 1.983 5.283 577 549 C 19 GLU HGy C 20 LEU H 1.0 1.978 5.174 578 550 C 38 PRO HA C 39 VAL H 1.0 1.730 3.328 579 551 C 39 VAL HGx% C 39 VAL H 1.0 1.711 3.247 580 552 C 46 TRP HE1 C 46 TRP HZ2 1.0 1.932 4.586 581 553 C 21 PHE HA C 46 TRP HE1 1.0 1.992 5.524 582 554 C 31 HIS HE1 C 31 HIS HD1 1.0 1.910 4.386 583 555 C 27 SER HBy C 31 HIS HD1 1.0 1.888 8.000 584 556 C 31 HIS HA C 31 HIS HD1 1.0 1.983 5.263 585 557 C 31 HIS HBy C 31 HIS HD1 1.0 1.978 5.184 586 558 C 35 HIS HE1 C 35 HIS HD1 1.0 1.737 3.363 587 559 C 35 HIS HA C 35 HIS HD1 1.0 1.786 3.598 588 560 C 20 LEU HA C 35 HIS HD1 1.0 1.905 4.353 589 561 C 18 GLY HAy C 35 HIS HD1 1.0 1.901 7.879 590 562 C 35 HIS HBy C 35 HIS HD1 1.0 1.864 4.048 591 563 C 35 HIS HBx C 35 HIS HD1 1.0 1.988 6.636 592 564 C 20 LEU HG C 35 HIS HD1 1.0 1.987 5.381 593 565 C 20 LEU HDx% C 35 HIS HD1 1.0 1.987 6.653 594 566 C 13 VAL HGy% C 35 HIS HD1 1.0 1.838 3.882 595 567 C 35 HIS HA C 36 ILE H 1.0 1.868 4.076 596 568 C 21 PHE HDy C 35 HIS HA 1.0 1.988 5.384 597 568 C 21 PHE HDx C 35 HIS HA 1.0 1.988 5.384 598 569 C 35 HIS HD2 C 35 HIS HA 1.0 1.997 6.303 599 570 C 22 CYS HBy C 23 CYS H 1.0 1.946 4.738 600 571 C 21 PHE HA C 21 PHE HDy 1.0 1.974 5.118 601 571 C 21 PHE HA C 21 PHE HDx 1.0 1.974 5.118 602 572 C 20 LEU HA C 21 PHE HDy 1.0 1.998 6.284 603 572 C 20 LEU HA C 21 PHE HDx 1.0 1.998 6.284 604 573 C 21 PHE HBx C 21 PHE HDy 1.0 1.920 4.482 605 573 C 21 PHE HBx C 21 PHE HDx 1.0 1.920 4.482 606 574 C 21 PHE HDy C 46 TRP HBy 1.0 1.989 6.599 607 574 C 21 PHE HDx C 46 TRP HBy 1.0 1.989 6.599 608 575 C 50 PHE HEy C 33 ASP HBy 1.0 1.961 7.157 609 575 C 50 PHE HEx C 33 ASP HBy 1.0 1.961 7.157 610 576 C 21 PHE HDy C 21 PHE H 1.0 1.981 5.247 611 576 C 21 PHE HDx C 21 PHE H 1.0 1.981 5.247 612 577 C 21 PHE HDy C 21 PHE HEx 1.0 1.785 3.595 613 577 C 21 PHE HDy C 21 PHE HEy 1.0 1.785 3.595 614 577 C 21 PHE HDx C 21 PHE HEy 1.0 1.785 3.595 615 577 C 21 PHE HDx C 21 PHE HEx 1.0 1.785 3.595 616 578 C 21 PHE HDy C 21 PHE HZ 1.0 1.716 6.000 617 578 C 21 PHE HDx C 21 PHE HZ 1.0 1.716 6.000 618 579 C 19 GLU HBy C 21 PHE HEy 1.0 1.963 4.941 619 579 C 19 GLU HBy C 21 PHE HEx 1.0 1.963 4.941 620 580 C 46 TRP HE3 C 47 ASN HA 1.0 1.933 4.603 621 581 C 21 PHE HA C 46 TRP HD1 1.0 1.991 5.483 622 582 C 46 TRP HA C 46 TRP HD1 1.0 1.934 4.618 623 583 C 46 TRP HE1 C 46 TRP HD1 1.0 1.807 3.709 624 584 C 46 TRP HE3 C 46 TRP HBy 1.0 1.831 3.841 625 585 C 46 TRP HBx C 46 TRP HD1 1.0 1.870 4.092 626 586 C 46 TRP HE3 C 46 TRP HZ3 1.0 1.805 3.697 627 587 C 11 CYS HA C 11 CYS H 1.0 1.785 3.589 628 588 C 35 HIS HE1 C 20 LEU HDy% 1.0 2.000 6.094 629 589 C 31 HIS HE1 C 20 LEU HDy% 1.0 1.989 5.423 630 590 C 20 LEU HDx% C 20 LEU HDy% 1.0 1.590 2.786 631 591 C 35 HIS HE1 C 20 LEU HBx 1.0 1.996 6.354 632 592 C 46 TRP HH2 C 23 CYS HA 1.0 1.999 5.955 633 593 C 46 TRP HH2 C 46 TRP HZ2 1.0 1.808 3.716 634 594 C 19 GLU HBx C 21 PHE HZ 1.0 1.839 3.893 635 595 C 19 GLU HBy C 21 PHE HZ 1.0 1.888 4.218 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 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 C 31 HIS HD2 C 32 GLU HGy 1.0 1.981 5.241 2 1 C 31 HIS HD2 C 32 GLU HGx 1.0 1.981 5.241 3 2 C 50 PHE HDy C 49 ILE HG1x 1.0 1.999 5.813 4 2 C 50 PHE HDx C 49 ILE HG1x 1.0 1.999 5.813 5 2 C 50 PHE HDy C 49 ILE HG1y 1.0 1.999 5.813 6 2 C 50 PHE HDx C 49 ILE HG1y 1.0 1.999 5.813 7 3 C 50 PHE HZ C 33 ASP HBy 1.0 1.788 3.606 8 3 C 50 PHE HZ C 33 ASP HBx 1.0 1.788 3.606 9 4 C 38 PRO HA C 38 PRO HBy 1.0 1.608 2.852 10 4 C 38 PRO HA C 38 PRO HBx 1.0 1.608 2.852 11 5 C 38 PRO HA C 38 PRO HGx 1.0 1.794 3.634 12 5 C 38 PRO HA C 38 PRO HGy 1.0 1.794 3.634 13 6 C 38 PRO HGy C 38 PRO HBy 1.0 1.494 2.482 14 6 C 38 PRO HGx C 38 PRO HBy 1.0 1.494 2.482 15 6 C 38 PRO HGx C 38 PRO HBx 1.0 1.494 2.482 16 7 C 22 CYS HBx C 27 SER HBx 1.0 1.852 3.972 17 7 C 22 CYS HBx C 27 SER HBy 1.0 1.852 3.972 18 8 C 22 CYS HBx C 26 CYS HBy 1.0 1.992 5.502 19 8 C 22 CYS HBx C 34 CYS HBx 1.0 1.992 5.502 20 8 C 22 CYS HBx C 26 CYS HBx 1.0 1.992 5.502 21 9 C 13 VAL HA C 12 GLU HBx 1.0 1.962 4.940 22 9 C 13 VAL HA C 12 GLU HBy 1.0 1.962 4.940 23 10 C 6 ARG HA C 6 ARG HBy 1.0 1.690 3.162 24 10 C 6 ARG HA C 6 ARG HBx 1.0 1.690 3.162 25 11 C 6 ARG HBy C 6 ARG HDy 1.0 1.729 3.329 26 11 C 6 ARG HBy C 6 ARG HDx 1.0 1.729 3.329 27 11 C 6 ARG HBx C 6 ARG HDx 1.0 1.729 3.329 28 12 C 6 ARG HDy C 6 ARG HGx 1.0 1.596 2.810 29 12 C 6 ARG HDy C 6 ARG HGy 1.0 1.596 2.810 30 12 C 6 ARG HDx C 6 ARG HGy 1.0 1.596 2.810 31 13 C 9 ASP HA C 9 ASP HBx 1.0 1.590 2.788 32 13 C 9 ASP HBy C 9 ASP HA 1.0 1.590 2.788 33 14 C 12 GLU HA C 15 ARG HDy 1.0 1.884 4.184 34 14 C 12 GLU HA C 15 ARG HDx 1.0 1.884 4.184 35 15 C 15 ARG HA C 15 ARG HDy 1.0 1.996 5.614 36 15 C 15 ARG HA C 15 ARG HDx 1.0 1.996 5.614 37 16 C 15 ARG HDx C 15 ARG HBx 1.0 1.629 2.923 38 16 C 15 ARG HDy C 15 ARG HBy 1.0 1.629 2.923 39 16 C 15 ARG HDx C 15 ARG HBy 1.0 1.629 2.923 40 17 C 15 ARG HA C 15 ARG HBy 1.0 1.562 2.696 41 17 C 15 ARG HA C 15 ARG HBx 1.0 1.562 2.696 42 18 C 15 ARG HGx C 15 ARG HDy 1.0 1.620 2.894 43 18 C 15 ARG HGx C 15 ARG HDx 1.0 1.620 2.894 44 19 C 15 ARG HGy C 15 ARG HDy 1.0 1.567 2.711 45 19 C 15 ARG HGy C 15 ARG HDx 1.0 1.567 2.711 46 20 C 32 GLU HA C 32 GLU HGy 1.0 1.717 3.275 47 20 C 32 GLU HA C 32 GLU HGx 1.0 1.717 3.275 48 21 C 32 GLU HBy C 32 GLU HA 1.0 1.599 2.817 49 21 C 32 GLU HA C 32 GLU HBx 1.0 1.599 2.817 50 22 C 32 GLU HBy C 32 GLU HGy 1.0 1.711 3.245 51 22 C 32 GLU HBy C 32 GLU HGx 1.0 1.711 3.245 52 23 C 32 GLU HBx C 32 GLU HGy 1.0 1.714 3.264 53 23 C 32 GLU HBx C 32 GLU HGx 1.0 1.714 3.264 54 24 C 32 GLU HBx C 32 GLU HGy 1.0 1.526 2.578 55 24 C 32 GLU HBx C 32 GLU HGx 1.0 1.526 2.578 56 24 C 32 GLU HBy C 32 GLU HGy 1.0 1.526 2.578 57 25 C 38 PRO HDx C 38 PRO HGx 1.0 1.695 3.179 58 25 C 38 PRO HDx C 38 PRO HGy 1.0 1.695 3.179 59 26 C 39 VAL HA C 38 PRO HBy 1.0 1.819 6.000 60 26 C 39 VAL HA C 38 PRO HBx 1.0 1.819 6.000 61 27 C 39 VAL HA C 39 VAL HGy% 1.0 1.610 2.856 62 27 C 39 VAL HA C 39 VAL HGx% 1.0 1.610 2.856 63 28 C 25 THR HA C 26 CYS HBx 1.0 1.974 6.000 64 28 C 25 THR HA C 26 CYS HBy 1.0 1.974 6.000 65 29 C 26 CYS HA C 26 CYS HBy 1.0 1.696 3.188 66 29 C 26 CYS HBx C 26 CYS HA 1.0 1.696 3.188 67 30 C 27 SER HA C 27 SER HBx 1.0 1.628 2.920 68 30 C 27 SER HA C 27 SER HBy 1.0 1.628 2.920 69 31 C 34 CYS HBy C 27 SER HBx 1.0 1.948 6.000 70 31 C 34 CYS HBy C 27 SER HBy 1.0 1.948 6.000 71 32 C 47 ASN HA C 47 ASN HBx 1.0 1.825 3.811 72 32 C 47 ASN HBy C 47 ASN HA 1.0 1.825 3.811 73 33 C 49 ILE HB C 49 ILE HG1x 1.0 1.700 3.202 74 33 C 49 ILE HB C 49 ILE HG1y 1.0 1.700 3.202 75 34 C 52 ARG HA C 52 ARG HDx 1.0 1.880 4.158 76 34 C 52 ARG HA C 52 ARG HDy 1.0 1.880 4.158 77 35 C 52 ARG HDy C 52 ARG HBy 1.0 1.766 3.496 78 35 C 52 ARG HDx C 52 ARG HBx 1.0 1.766 3.496 79 35 C 52 ARG HDy C 52 ARG HBx 1.0 1.766 3.496 80 36 C 52 ARG HDy C 52 ARG HGx 1.0 1.640 2.966 81 36 C 52 ARG HDx C 52 ARG HGx 1.0 1.640 2.966 82 36 C 52 ARG HDx C 52 ARG HGy 1.0 1.640 2.966 83 36 C 52 ARG HDy C 52 ARG HGy 1.0 1.640 2.966 84 37 C 52 ARG HA C 52 ARG HGx 1.0 1.869 4.083 85 37 C 52 ARG HA C 52 ARG HGy 1.0 1.869 4.083 86 38 C 54 LYS HEx C 54 LYS HDy 1.0 1.696 3.186 87 38 C 54 LYS HEy C 54 LYS HDy 1.0 1.696 3.186 88 38 C 54 LYS HDx C 54 LYS HEy 1.0 1.696 3.186 89 38 C 54 LYS HDx C 54 LYS HEx 1.0 1.696 3.186 90 39 C 54 LYS HEy C 54 LYS HGx 1.0 1.772 3.526 91 39 C 54 LYS HEx C 54 LYS HGx 1.0 1.772 3.526 92 39 C 54 LYS HEy C 54 LYS HGy 1.0 1.772 3.526 93 39 C 54 LYS HEx C 54 LYS HGy 1.0 1.772 3.526 94 40 C 55 GLU HA C 55 GLU HGy 1.0 1.885 4.195 95 40 C 55 GLU HA C 55 GLU HGx 1.0 1.885 4.195 96 41 C 28 ARG HDx C 28 ARG HGy 1.0 1.614 2.874 97 41 C 28 ARG HGx C 28 ARG HDx 1.0 1.614 2.874 98 41 C 28 ARG HDy C 28 ARG HGx 1.0 1.614 2.874 99 42 C 25 THR HA C 28 ARG HGy 1.0 1.998 6.238 100 42 C 25 THR HA C 28 ARG HGx 1.0 1.998 6.238 101 43 C 30 PHE HZ C 29 VAL HGy% 1.0 1.907 4.371 102 43 C 30 PHE HEy C 29 VAL HGy% 1.0 1.907 4.371 103 43 C 30 PHE HEx C 29 VAL HGy% 1.0 1.907 4.371 104 44 C 30 PHE HZ C 29 VAL HGx% 1.0 1.988 5.402 105 44 C 30 PHE HEx C 29 VAL HGx% 1.0 1.988 5.402 106 44 C 30 PHE HEy C 29 VAL HGx% 1.0 1.988 5.402 107 45 C 49 ILE HD1% C 33 ASP HBx 1.0 1.924 4.524 108 45 C 49 ILE HD1% C 33 ASP HBy 1.0 1.924 4.524 109 46 C 30 PHE HBy C 50 PHE HEy 1.0 1.950 4.786 110 46 C 30 PHE HBy C 50 PHE HEx 1.0 1.950 4.786 111 46 C 30 PHE HBy C 50 PHE HZ 1.0 1.950 4.786 112 47 C 30 PHE HBx C 50 PHE HZ 1.0 1.975 5.139 113 47 C 30 PHE HBx C 50 PHE HEy 1.0 1.975 5.139 114 47 C 30 PHE HBx C 50 PHE HEx 1.0 1.975 5.139 115 48 C 45 PRO HGy C 45 PRO HDx 1.0 1.858 4.008 116 48 C 45 PRO HDy C 45 PRO HGy 1.0 1.858 4.008 117 49 C 46 TRP HA C 46 TRP HBx 1.0 1.865 4.053 118 49 C 46 TRP HA C 46 TRP HBy 1.0 1.865 4.053 119 50 C 38 PRO HDy C 38 PRO HBy 1.0 1.962 4.942 120 50 C 38 PRO HDy C 38 PRO HBx 1.0 1.962 4.942 121 51 C 38 PRO HDx C 38 PRO HBy 1.0 1.996 6.334 122 51 C 38 PRO HDx C 38 PRO HBx 1.0 1.996 6.334 123 52 C 38 PRO HGy C 38 PRO HBy 1.0 1.694 3.176 124 52 C 38 PRO HGy C 38 PRO HBx 1.0 1.694 3.176 125 53 C 21 PHE HBy C 49 ILE HG1x 1.0 1.936 4.636 126 53 C 21 PHE HBy C 49 ILE HG1y 1.0 1.936 4.636 127 54 C 20 LEU HBx C 20 LEU HDy% 1.0 1.671 3.083 128 54 C 20 LEU HG C 20 LEU HDy% 1.0 1.671 3.083 129 55 C 20 LEU HDy% C 27 SER HBx 1.0 1.929 4.565 130 55 C 20 LEU HDy% C 27 SER HBy 1.0 1.929 4.565 131 56 C 22 CYS HBy C 26 CYS HBy 1.0 1.798 3.664 132 56 C 22 CYS HBy C 26 CYS HBx 1.0 1.798 3.664 133 57 C 24 ASP HBy C 24 ASP HA 1.0 1.666 3.066 134 57 C 24 ASP HA C 24 ASP HBx 1.0 1.666 3.066 135 58 C 24 ASP HA C 27 SER HBx 1.0 1.815 3.755 136 58 C 24 ASP HA C 27 SER HBy 1.0 1.815 3.755 137 59 C 39 VAL HGx% C 39 VAL HB 1.0 1.518 2.554 138 59 C 39 VAL HB C 39 VAL HGy% 1.0 1.518 2.554 139 60 C 51 CYS HA C 51 CYS HBy 1.0 1.926 4.538 140 60 C 51 CYS HA C 51 CYS HBx 1.0 1.926 4.538 141 61 C 55 GLU HA C 54 LYS HBx 1.0 1.837 6.000 142 61 C 55 GLU HA C 54 LYS HBy 1.0 1.837 6.000 143 62 C 34 CYS HA C 49 ILE HG1x 1.0 1.738 6.000 144 62 C 34 CYS HA C 49 ILE HG1y 1.0 1.738 6.000 145 63 C 6 ARG HA C 6 ARG HGx 1.0 1.783 3.583 146 63 C 6 ARG HA C 6 ARG HGy 1.0 1.783 3.583 147 64 C 10 GLU HA C 10 GLU HGy 1.0 1.578 2.746 148 64 C 10 GLU HA C 10 GLU HGx 1.0 1.578 2.746 149 65 C 9 ASP HBx C 10 GLU HA 1.0 1.964 4.964 150 65 C 9 ASP HBy C 10 GLU HA 1.0 1.964 4.964 151 66 C 5 MET HA C 6 ARG HGx 1.0 1.984 6.714 152 66 C 5 MET HA C 6 ARG HGy 1.0 1.984 6.714 153 67 C 42 GLU HA C 42 GLU HGy 1.0 1.715 3.267 154 67 C 42 GLU HA C 42 GLU HGx 1.0 1.715 3.267 155 68 C 49 ILE HG2% C 49 ILE HG1y 1.0 1.804 3.692 156 68 C 49 ILE HG2% C 49 ILE HG1x 1.0 1.804 3.692 157 69 C 49 ILE HA C 49 ILE HG1x 1.0 1.902 4.330 158 69 C 49 ILE HA C 49 ILE HG1y 1.0 1.902 4.330 159 70 C 40 GLU HA C 40 GLU HBx 1.0 1.842 3.914 160 70 C 40 GLU HA C 40 GLU HBy 1.0 1.842 3.914 161 71 C 43 ARG HA C 43 ARG HDx 1.0 1.956 4.848 162 71 C 43 ARG HA C 43 ARG HDy 1.0 1.956 4.848 163 72 C 20 LEU HDx% C 27 SER HBx 1.0 1.904 4.346 164 72 C 20 LEU HDx% C 27 SER HBy 1.0 1.904 4.346 165 73 C 28 ARG HA C 28 ARG HDx 1.0 1.989 5.425 166 73 C 28 ARG HDy C 28 ARG HA 1.0 1.989 5.425 167 74 C 28 ARG HA C 28 ARG HGy 1.0 1.714 3.258 168 74 C 28 ARG HA C 28 ARG HGx 1.0 1.714 3.258 169 75 C 28 ARG HGx C 27 SER HBy 1.0 1.945 4.725 170 75 C 28 ARG HGx C 27 SER HBx 1.0 1.945 4.725 171 76 C 13 VAL HGx% C 12 GLU HGy 1.0 1.996 5.656 172 76 C 13 VAL HGx% C 12 GLU HGx 1.0 1.996 5.656 173 77 C 13 VAL HGx% C 12 GLU HBy 1.0 1.952 4.812 174 77 C 13 VAL HGx% C 12 GLU HBx 1.0 1.952 4.812 175 78 C 54 LYS HGy C 54 LYS HBy 1.0 1.825 3.803 176 78 C 54 LYS HGy C 54 LYS HBx 1.0 1.825 3.803 177 78 C 54 LYS HGx C 54 LYS HBy 1.0 1.825 3.803 178 79 C 41 ALA HB% C 42 GLU HGx 1.0 1.781 3.569 179 79 C 41 ALA HB% C 42 GLU HGy 1.0 1.781 3.569 180 80 C 38 PRO HGx C 38 PRO HBy 1.0 1.753 3.439 181 80 C 38 PRO HGx C 38 PRO HBx 1.0 1.753 3.439 182 81 C 49 ILE HD1% C 49 ILE HG1y 1.0 1.448 2.350 183 81 C 49 ILE HD1% C 49 ILE HG1x 1.0 1.448 2.350 184 82 C 3 MET HA C 3 MET HBx 1.0 1.744 3.394 185 82 C 3 MET HA C 3 MET HBy 1.0 1.744 3.394 186 82 C 5 MET HA C 5 MET HBy 1.0 1.744 3.394 187 83 C 3 MET HBy C 4 GLY HAx 1.0 2.000 5.996 188 83 C 3 MET HBx C 4 GLY HAy 1.0 2.000 5.996 189 83 C 3 MET HBy C 4 GLY HAy 1.0 2.000 5.996 190 83 C 3 MET HBx C 4 GLY HAx 1.0 2.000 5.996 191 84 C 3 MET HBy C 4 GLY HAx 1.0 1.938 4.656 192 84 C 4 GLY HAx C 5 MET HBx 1.0 1.938 4.656 193 84 C 5 MET HBx C 4 GLY HAy 1.0 1.938 4.656 194 84 C 3 MET HBy C 4 GLY HAy 1.0 1.938 4.656 195 84 C 3 MET HBx C 4 GLY HAx 1.0 1.938 4.656 196 85 C 3 MET HGy C 3 MET HBx 1.0 1.772 3.528 197 85 C 3 MET HBx C 3 MET HGx 1.0 1.772 3.528 198 85 C 3 MET HGy C 3 MET HBy 1.0 1.772 3.528 199 85 C 5 MET HGy C 5 MET HBy 1.0 1.772 3.528 200 86 C 42 GLU HA C 42 GLU HBx 1.0 1.764 3.486 201 86 C 42 GLU HA C 42 GLU HBy 1.0 1.764 3.486 202 87 C 50 PHE HEx C 49 ILE HD1% 1.0 1.910 4.394 203 87 C 50 PHE HEy C 49 ILE HD1% 1.0 1.910 4.394 204 87 C 50 PHE HZ C 49 ILE HD1% 1.0 1.910 4.394 205 88 C 45 PRO HDy C 44 THR HG2% 1.0 2.000 6.114 206 88 C 44 THR HG2% C 45 PRO HDx 1.0 2.000 6.114 207 89 C 6 ARG HA C 6 ARG HDx 1.0 1.777 3.553 208 89 C 6 ARG HA C 6 ARG HDy 1.0 1.777 3.553 209 90 C 40 GLU HA C 40 GLU HGx 1.0 1.914 4.428 210 90 C 40 GLU HA C 40 GLU HGy 1.0 1.914 4.428 211 91 C 19 GLU HA C 19 GLU HBx 1.0 1.613 2.867 212 91 C 19 GLU HA C 19 GLU HGx 1.0 1.613 2.867 213 92 C 20 LEU HDx% C 20 LEU HG 1.0 1.571 2.723 214 92 C 20 LEU HDx% C 20 LEU HBx 1.0 1.571 2.723 215 93 C 8 LEU HBy C 11 CYS HBy 1.0 1.942 4.690 216 93 C 8 LEU HBx C 11 CYS HBy 1.0 1.942 4.690 217 94 C 53 MET HA C 53 MET HBx 1.0 1.870 4.090 218 94 C 53 MET HA C 53 MET HBy 1.0 1.870 4.090 219 95 C 8 LEU HDx% C 6 ARG HDx 1.0 1.961 4.921 220 95 C 8 LEU HDx% C 6 ARG HDy 1.0 1.961 4.921 221 96 C 6 ARG H C 6 ARG HDy 1.0 1.981 6.793 222 96 C 6 ARG H C 6 ARG HDx 1.0 1.981 6.793 223 97 C 6 ARG H C 6 ARG HBy 1.0 1.726 3.314 224 97 C 6 ARG H C 6 ARG HBx 1.0 1.726 3.314 225 98 C 8 LEU HBy C 8 LEU H 1.0 1.556 2.674 226 98 C 8 LEU HG C 8 LEU H 1.0 1.556 2.674 227 98 C 8 LEU HBx C 8 LEU H 1.0 1.556 2.674 228 99 C 8 LEU HBy C 9 ASP H 1.0 1.909 4.383 229 99 C 8 LEU HBx C 9 ASP H 1.0 1.909 4.383 230 100 C 9 ASP HBy C 10 GLU H 1.0 1.877 4.139 231 100 C 9 ASP HBx C 10 GLU H 1.0 1.877 4.139 232 101 C 10 GLU HBx C 11 CYS H 1.0 1.907 4.367 233 101 C 10 GLU HBy C 11 CYS H 1.0 1.907 4.367 234 102 C 14 CYS H C 15 ARG H 1.0 1.580 2.752 235 102 C 13 VAL H C 14 CYS H 1.0 1.580 2.752 236 103 C 15 ARG HBy C 14 CYS H 1.0 1.989 6.615 237 103 C 15 ARG HBx C 14 CYS H 1.0 1.989 6.615 238 104 C 15 ARG HBx C 15 ARG H 1.0 1.516 2.550 239 104 C 15 ARG HBy C 15 ARG H 1.0 1.516 2.550 240 105 C 15 ARG HBx C 16 ASP H 1.0 1.663 3.055 241 105 C 15 ARG HBy C 16 ASP H 1.0 1.663 3.055 242 106 C 15 ARG HDx C 16 ASP H 1.0 1.982 5.278 243 106 C 15 ARG HDy C 16 ASP H 1.0 1.982 5.278 244 107 C 15 ARG HBx C 17 GLY H 1.0 1.998 6.256 245 107 C 15 ARG HBy C 17 GLY H 1.0 1.998 6.256 246 108 C 19 GLU HBx C 20 LEU H 1.0 1.942 4.694 247 108 C 19 GLU HGx C 20 LEU H 1.0 1.942 4.694 248 109 C 23 CYS HBx C 26 CYS H 1.0 1.712 3.256 249 109 C 26 CYS HBy C 26 CYS H 1.0 1.712 3.256 250 110 C 50 PHE HEx C 33 ASP H 1.0 1.973 6.961 251 110 C 50 PHE HEy C 33 ASP H 1.0 1.973 6.961 252 110 C 50 PHE HZ C 33 ASP H 1.0 1.973 6.961 253 111 C 30 PHE HBx C 33 ASP H 1.0 1.993 5.547 254 111 C 32 GLU HGx C 33 ASP H 1.0 1.993 5.547 255 111 C 32 GLU HGy C 33 ASP H 1.0 1.993 5.547 256 112 C 40 GLU HA C 40 GLU H 1.0 1.679 3.117 257 112 C 39 VAL HA C 40 GLU H 1.0 1.679 3.117 258 113 C 53 MET H C 52 ARG HBy 1.0 1.926 4.536 259 113 C 53 MET H C 52 ARG HBx 1.0 1.926 4.536 260 114 C 53 MET H C 52 ARG HGx 1.0 2.000 6.030 261 114 C 53 MET H C 52 ARG HGy 1.0 2.000 6.030 262 115 C 56 SER H C 56 SER HBy 1.0 1.858 4.008 263 115 C 56 SER H C 56 SER HBx 1.0 1.858 4.008 264 116 C 24 ASP HBx C 24 ASP H 1.0 1.852 3.976 265 116 C 24 ASP HBy C 24 ASP H 1.0 1.852 3.976 266 117 C 42 GLU H C 42 GLU HGy 1.0 1.893 4.257 267 117 C 42 GLU H C 42 GLU HGx 1.0 1.893 4.257 268 118 C 42 GLU H C 42 GLU HBx 1.0 1.889 4.223 269 118 C 42 GLU H C 42 GLU HBy 1.0 1.889 4.223 270 119 C 39 VAL HGx% C 42 GLU H 1.0 1.971 5.069 271 119 C 39 VAL HGy% C 42 GLU H 1.0 1.971 5.069 272 120 C 43 ARG H C 42 GLU HBy 1.0 1.915 4.435 273 120 C 43 ARG H C 43 ARG HBy 1.0 1.915 4.435 274 121 C 49 ILE H C 49 ILE HG1x 1.0 1.740 3.374 275 121 C 49 ILE H C 49 ILE HG1y 1.0 1.740 3.374 276 122 C 50 PHE H C 49 ILE HG1x 1.0 1.944 4.712 277 122 C 50 PHE H C 49 ILE HG1y 1.0 1.944 4.712 278 123 C 55 GLU H C 55 GLU HGx 1.0 1.996 5.656 279 123 C 55 GLU H C 55 GLU HGy 1.0 1.996 5.656 280 124 C 7 ASN H C 6 ARG HBy 1.0 1.969 5.033 281 124 C 7 ASN H C 6 ARG HBx 1.0 1.969 5.033 282 125 C 7 ASN H C 6 ARG HGx 1.0 1.988 6.640 283 125 C 7 ASN H C 6 ARG HGy 1.0 1.988 6.640 284 126 C 10 GLU HBx C 9 ASP H 1.0 1.996 5.646 285 126 C 10 GLU HBy C 9 ASP H 1.0 1.996 5.646 286 127 C 39 VAL HGy% C 41 ALA H 1.0 1.999 5.817 287 127 C 39 VAL HGx% C 41 ALA H 1.0 1.999 5.817 288 128 C 43 ARG H C 43 ARG HGy 1.0 1.980 5.226 289 128 C 43 ARG H C 43 ARG HGx 1.0 1.980 5.226 290 129 C 4 GLY H C 4 GLY HAy 1.0 1.879 4.157 291 129 C 4 GLY HAx C 4 GLY H 1.0 1.879 4.157 292 130 C 41 ALA H C 40 GLU HBx 1.0 1.990 5.450 293 130 C 41 ALA H C 40 GLU HBy 1.0 1.990 5.450 294 131 C 27 SER HBy C 28 ARG H 1.0 1.725 3.309 295 131 C 27 SER HBx C 28 ARG H 1.0 1.725 3.309 296 132 C 53 MET H C 53 MET HBy 1.0 1.920 4.480 297 132 C 53 MET H C 53 MET HBx 1.0 1.920 4.480 298 133 C 41 ALA H C 42 GLU HGy 1.0 1.985 6.695 299 133 C 41 ALA H C 42 GLU HGx 1.0 1.985 6.695 300 134 C 10 GLU HGy C 10 GLU H 1.0 1.716 3.270 301 134 C 10 GLU HGx C 10 GLU H 1.0 1.716 3.270 302 135 C 15 ARG HE C 15 ARG HDy 1.0 1.920 4.480 303 135 C 15 ARG HE C 15 ARG HDx 1.0 1.920 4.480 304 136 C 15 ARG HE C 15 ARG HBx 1.0 1.920 7.680 305 136 C 15 ARG HE C 15 ARG HBy 1.0 1.920 7.680 306 137 C 44 THR H C 43 ARG HGx 1.0 2.000 5.860 307 137 C 44 THR H C 43 ARG HGy 1.0 2.000 5.860 308 138 C 39 VAL HGy% C 40 GLU H 1.0 1.968 5.022 309 138 C 39 VAL HGx% C 40 GLU H 1.0 1.968 5.022 310 139 C 51 CYS H C 52 ARG HGx 1.0 1.994 6.444 311 139 C 51 CYS H C 52 ARG HGy 1.0 1.994 6.444 312 140 C 51 CYS HBy C 52 ARG H 1.0 1.911 4.403 313 140 C 52 ARG H C 51 CYS HBx 1.0 1.911 4.403 314 141 C 54 LYS H C 53 MET HGy 1.0 1.868 8.182 315 141 C 54 LYS H C 53 MET HGx 1.0 1.868 8.182 316 142 C 54 LYS H C 54 LYS HBx 1.0 1.903 4.335 317 142 C 54 LYS H C 54 LYS HBy 1.0 1.903 4.335 318 143 C 19 GLU HBx C 19 GLU H 1.0 1.613 2.867 319 143 C 19 GLU HGx C 19 GLU H 1.0 1.613 2.867 320 144 C 10 GLU HGy C 11 CYS H 1.0 1.905 4.345 321 144 C 10 GLU HGx C 11 CYS H 1.0 1.905 4.345 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 C 10 GLU C C 11 CYS N C 11 CYS CA C 11 CYS C 1.0 -102.91 -62.07 PHI 2 2 C 11 CYS C C 12 GLU N C 12 GLU CA C 12 GLU C 1.0 -65.03 -48.71 PHI 3 3 C 12 GLU C C 13 VAL N C 13 VAL CA C 13 VAL C 1.0 -71.06 -56.86 PHI 4 4 C 13 VAL C C 14 CYS N C 14 CYS CA C 14 CYS C 1.0 -68.37 -57.77 PHI 5 5 C 14 CYS C C 15 ARG N C 15 ARG CA C 15 ARG C 1.0 -74.62 -60.28 PHI 6 6 C 15 ARG C C 16 ASP N C 16 ASP CA C 16 ASP C 1.0 -103.74 -71.26 PHI 7 7 C 19 GLU C C 20 LEU N C 20 LEU CA C 20 LEU C 1.0 -163.58 -89.36 PHI 8 8 C 20 LEU C C 21 PHE N C 21 PHE CA C 21 PHE C 1.0 -148.00 -64.00 PHI 9 9 C 21 PHE C C 22 CYS N C 22 CYS CA C 22 CYS C 1.0 -157.62 -119.44 PHI 10 10 C 22 CYS C C 23 CYS N C 23 CYS CA C 23 CYS C 1.0 -85.61 -65.13 PHI 11 11 C 23 CYS C C 24 ASP N C 24 ASP CA C 24 ASP C 1.0 -81.50 -42.50 PHI 12 12 C 24 ASP C C 25 THR N C 25 THR CA C 25 THR C 1.0 -73.25 -58.33 PHI 13 13 C 25 THR C C 26 CYS N C 26 CYS CA C 26 CYS C 1.0 -75.42 -54.70 PHI 14 14 C 26 CYS C C 27 SER N C 27 SER CA C 27 SER C 1.0 -72.96 -46.42 PHI 15 15 C 27 SER C C 28 ARG N C 28 ARG CA C 28 ARG C 1.0 -86.53 -59.15 PHI 16 16 C 30 PHE C C 31 HIS N C 31 HIS CA C 31 HIS C 1.0 -69.85 -47.49 PHI 17 17 C 31 HIS C C 32 GLU N C 32 GLU CA C 32 GLU C 1.0 -74.44 -54.18 PHI 18 18 C 32 GLU C C 33 ASP N C 33 ASP CA C 33 ASP C 1.0 -78.37 -62.17 PHI 19 19 C 33 ASP C C 34 CYS N C 34 CYS CA C 34 CYS C 1.0 -115.50 -46.50 PHI 20 20 C 47 ASN C C 48 CYS N C 48 CYS CA C 48 CYS C 1.0 -108.10 -61.86 PHI 21 21 C 48 CYS C C 49 ILE N C 49 ILE CA C 49 ILE C 1.0 -67.46 -49.50 PHI 22 22 C 49 ILE C C 50 PHE N C 50 PHE CA C 50 PHE C 1.0 -74.05 -53.95 PHI 23 23 C 50 PHE C C 51 CYS N C 51 CYS CA C 51 CYS C 1.0 -75.22 -57.06 PHI 24 24 C 51 CYS C C 52 ARG N C 52 ARG CA C 52 ARG C 1.0 -88.42 -53.80 PHI 25 25 C 11 CYS N C 11 CYS CA C 11 CYS C C 12 GLU N 1.0 94.95 160.39 PSI 26 26 C 12 GLU N C 12 GLU CA C 12 GLU C C 13 VAL N 1.0 -53.00 -24.14 PSI 27 27 C 13 VAL N C 13 VAL CA C 13 VAL C C 14 CYS N 1.0 -54.84 -27.42 PSI 28 28 C 14 CYS N C 14 CYS CA C 14 CYS C C 15 ARG N 1.0 -55.10 -28.36 PSI 29 29 C 15 ARG N C 15 ARG CA C 15 ARG C C 16 ASP N 1.0 -35.86 -8.82 PSI 30 30 C 16 ASP N C 16 ASP CA C 16 ASP C C 17 GLY N 1.0 -14.78 13.52 PSI 31 31 C 20 LEU N C 20 LEU CA C 20 LEU C C 21 PHE N 1.0 120.53 166.77 PSI 32 32 C 22 CYS N C 22 CYS CA C 22 CYS C C 23 CYS N 1.0 141.53 178.31 PSI 33 33 C 23 CYS N C 23 CYS CA C 23 CYS C C 24 ASP N 1.0 147.41 183.31 PSI 34 34 C 24 ASP N C 24 ASP CA C 24 ASP C C 25 THR N 1.0 -48.50 -27.50 PSI 35 35 C 25 THR N C 25 THR CA C 25 THR C C 26 CYS N 1.0 -52.95 -23.79 PSI 36 36 C 26 CYS N C 26 CYS CA C 26 CYS C C 27 SER N 1.0 -48.90 -31.48 PSI 37 37 C 27 SER N C 27 SER CA C 27 SER C C 28 ARG N 1.0 -53.03 -13.63 PSI 38 38 C 28 ARG N C 28 ARG CA C 28 ARG C C 29 VAL N 1.0 -50.86 -20.26 PSI 39 39 C 31 HIS N C 31 HIS CA C 31 HIS C C 32 GLU N 1.0 -48.77 -34.99 PSI 40 40 C 32 GLU N C 32 GLU CA C 32 GLU C C 33 ASP N 1.0 -52.63 -29.49 PSI 41 41 C 33 ASP N C 33 ASP CA C 33 ASP C C 34 CYS N 1.0 -52.26 -25.18 PSI 42 42 C 34 CYS N C 34 CYS CA C 34 CYS C C 35 HIS N 1.0 -42.00 -6.00 PSI 43 43 C 48 CYS N C 48 CYS CA C 48 CYS C C 49 ILE N 1.0 95.59 162.43 PSI 44 44 C 49 ILE N C 49 ILE CA C 49 ILE C C 50 PHE N 1.0 -53.52 -14.02 PSI 45 45 C 50 PHE N C 50 PHE CA C 50 PHE C C 51 CYS N 1.0 -53.31 -30.73 PSI 46 46 C 51 CYS N C 51 CYS CA C 51 CYS C C 52 ARG N 1.0 -55.38 -26.50 PSI 47 47 C 52 ARG N C 52 ARG CA C 52 ARG C C 53 MET N 1.0 -36.34 10.60 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 C 9 ASP H C 9 ASP N 1.0 . . . 2 2 C 10 GLU H C 10 GLU N 1.0 . . . 3 3 C 11 CYS H C 11 CYS N 1.0 . . . 4 4 C 12 GLU H C 12 GLU N 1.0 . . . 5 5 C 13 VAL H C 13 VAL N 1.0 . . . 6 6 C 14 CYS H C 14 CYS N 1.0 . . . 7 7 C 15 ARG H C 15 ARG N 1.0 . . . 8 8 C 16 ASP H C 16 ASP N 1.0 . . . 9 9 C 17 GLY H C 17 GLY N 1.0 . . . 10 10 C 18 GLY H C 18 GLY N 1.0 . . . 11 11 C 19 GLU H C 19 GLU N 1.0 . . . 12 12 C 25 THR H C 25 THR N 1.0 . . . 13 13 C 26 CYS H C 26 CYS N 1.0 . . . 14 14 C 27 SER H C 27 SER N 1.0 . . . 15 15 C 28 ARG H C 28 ARG N 1.0 . . . 16 16 C 29 VAL H C 29 VAL N 1.0 . . . 17 17 C 31 HIS H C 31 HIS N 1.0 . . . 18 18 C 32 GLU H C 32 GLU N 1.0 . . . 19 19 C 33 ASP H C 33 ASP N 1.0 . . . stop_ save_