data_nef_c19472_2md7 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 19473 PDB 2MD7 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 26 CYS SG 2 1 ZN ZN 1 14 CYS SG 2 2 ZN ZN 1 11 CYS SG 2 2 ZN ZN 1 51 CYS SG 2 1 ZN ZN 1 23 CYS SG 2 1 ZN ZN 1 48 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 B 1 GLY start . false 2 B 2 ALA middle . . 3 B 3 MET middle . . 4 B 4 GLY middle . false 5 B 5 MET middle . . 6 B 6 ARG middle . . 7 B 7 ASN middle . . 8 B 8 LEU middle . . 9 B 9 ASP middle . . 10 B 10 GLU middle . . 11 B 11 CYS middle -HG . 12 B 12 GLU middle . . 13 B 13 VAL middle . . 14 B 14 CYS middle -HG . 15 B 15 ARG middle . . 16 B 16 ASP middle . . 17 B 17 GLY middle . false 18 B 18 GLY middle . false 19 B 19 GLU middle . . 20 B 20 LEU middle . . 21 B 21 PHE middle . . 22 B 22 CYS middle -HG . 23 B 23 CYS middle -HG . 24 B 24 ASP middle . . 25 B 25 THR middle . . 26 B 26 CYS middle -HG . 27 B 27 SER middle . . 28 B 28 ARG middle . . 29 B 29 VAL middle . . 30 B 30 PHE middle . . 31 B 31 HIS middle -HE2 . 32 B 32 GLU middle . . 33 B 33 ASP middle . . 34 B 34 CYS middle -HG . 35 B 35 HIS middle -HE2 . 36 B 36 ILE middle . . 37 B 37 PRO middle . true 38 B 38 PRO middle . false 39 B 39 VAL middle . . 40 B 40 GLU middle . . 41 B 41 ALA middle . . 42 B 42 GLU middle . . 43 B 43 ARG middle . . 44 B 44 THR middle . . 45 B 45 PRO middle . false 46 B 46 TRP middle . . 47 B 47 ASN middle . . 48 B 48 CYS middle -HG . 49 B 49 ILE middle . . 50 B 50 PHE middle . . 51 B 51 CYS middle -HG . 52 B 52 ARG middle . . 53 B 53 MET middle . . 54 B 54 LYS middle . . 55 B 55 GLU middle . . 56 B 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 B 1 GLY HA3 H 1 4.350 0.008 B 1 GLY C C 13 175.875 0.000 B 1 GLY CA C 13 56.247 0.064 B 2 ALA H H 1 8.413 0.002 B 2 ALA HA H 1 4.432 0.003 B 2 ALA HB% H 1 1.467 0.006 B 2 ALA C C 13 177.917 0.000 B 2 ALA CA C 13 52.547 0.055 B 2 ALA CB C 13 19.509 0.032 B 2 ALA N N 15 126.844 0.031 B 3 MET H H 1 8.633 0.006 B 3 MET HA H 1 4.540 0.008 B 3 MET HBx H 1 2.122 0.021 B 3 MET HBy H 1 2.126 0.019 B 3 MET HGx H 1 2.612 0.020 B 3 MET HGy H 1 2.659 0.023 B 3 MET C C 13 176.819 0.000 B 3 MET CA C 13 55.634 0.024 B 3 MET CB C 13 32.623 0.033 B 3 MET N N 15 120.450 0.047 B 4 GLY H H 1 8.511 0.004 B 4 GLY HAy H 1 3.991 0.007 B 4 GLY HAx H 1 3.988 0.005 B 4 GLY C C 13 173.965 0.000 B 4 GLY CA C 13 45.425 0.022 B 4 GLY N N 15 110.698 0.079 B 5 MET H H 1 8.296 0.011 B 5 MET HA H 1 4.546 0.007 B 5 MET HBy H 1 2.112 0.021 B 5 MET HBx H 1 2.098 0.021 B 5 MET HGx H 1 2.614 0.019 B 5 MET HGy H 1 2.645 0.030 B 5 MET C C 13 176.221 0.000 B 5 MET CA C 13 55.554 0.109 B 5 MET CB C 13 32.968 0.063 B 5 MET N N 15 120.796 0.086 B 6 ARG H H 1 8.483 0.009 B 6 ARG HA H 1 4.443 0.007 B 6 ARG HBy H 1 1.849 0.006 B 6 ARG HBx H 1 1.845 0.005 B 6 ARG HDx H 1 3.270 0.007 B 6 ARG HDy H 1 3.270 0.008 B 6 ARG HGy H 1 1.712 0.007 B 6 ARG HGx H 1 1.711 0.003 B 6 ARG C C 13 175.812 0.000 B 6 ARG CA C 13 56.294 0.077 B 6 ARG CB C 13 31.036 0.023 B 6 ARG N N 15 122.905 0.074 B 7 ASN H H 1 8.653 0.005 B 7 ASN HA H 1 4.798 0.015 B 7 ASN HBx H 1 2.722 0.017 B 7 ASN HBy H 1 2.907 0.005 B 7 ASN HD21 H 1 7.650 0.012 B 7 ASN HD22 H 1 7.034 0.011 B 7 ASN C C 13 175.326 0.000 B 7 ASN CA C 13 52.922 0.033 B 7 ASN CB C 13 38.646 0.067 B 7 ASN N N 15 121.329 0.083 B 8 LEU H H 1 8.424 0.006 B 8 LEU HA H 1 4.179 0.011 B 8 LEU HBy H 1 1.644 0.019 B 8 LEU HBx H 1 1.603 0.026 B 8 LEU HDx% H 1 0.840 0.018 B 8 LEU HDy% H 1 0.903 0.028 B 8 LEU HG H 1 1.619 0.013 B 8 LEU C C 13 177.712 0.000 B 8 LEU CA C 13 56.239 0.015 B 8 LEU CB C 13 41.820 0.029 B 8 LEU N N 15 123.542 0.074 B 9 ASP H H 1 8.298 0.002 B 9 ASP HA H 1 4.507 0.004 B 9 ASP HBx H 1 2.694 0.022 B 9 ASP HBy H 1 2.709 0.019 B 9 ASP C C 13 176.739 0.000 B 9 ASP CA C 13 55.546 0.031 B 9 ASP CB C 13 40.862 0.027 B 9 ASP N N 15 119.812 0.118 B 10 GLU H H 1 7.859 0.014 B 10 GLU HA H 1 4.343 0.005 B 10 GLU HBy H 1 2.185 0.021 B 10 GLU HBx H 1 2.162 0.022 B 10 GLU HGx H 1 1.902 0.006 B 10 GLU HGy H 1 1.902 0.007 B 10 GLU C C 13 175.546 0.000 B 10 GLU CA C 13 56.161 0.074 B 10 GLU CB C 13 30.733 0.019 B 10 GLU N N 15 118.272 0.040 B 11 CYS H H 1 7.894 0.005 B 11 CYS HA H 1 4.615 0.010 B 11 CYS HBy H 1 3.157 0.018 B 11 CYS HBx H 1 2.969 0.013 B 11 CYS C C 13 176.541 0.000 B 11 CYS CA C 13 58.693 0.102 B 11 CYS CB C 13 29.238 0.047 B 11 CYS N N 15 123.189 0.085 B 12 GLU H H 1 9.514 0.011 B 12 GLU HA H 1 3.954 0.011 B 12 GLU HBx H 1 2.123 0.018 B 12 GLU HBy H 1 2.125 0.026 B 12 GLU HGy H 1 2.405 0.020 B 12 GLU HGx H 1 2.395 0.019 B 12 GLU C C 13 177.203 0.000 B 12 GLU CA C 13 59.482 0.040 B 12 GLU CB C 13 29.642 0.015 B 12 GLU N N 15 131.984 0.038 B 13 VAL H H 1 8.090 0.012 B 13 VAL HA H 1 3.753 0.008 B 13 VAL HB H 1 1.219 0.013 B 13 VAL HGx% H 1 0.401 0.003 B 13 VAL HGy% H 1 0.955 0.006 B 13 VAL C C 13 180.331 0.000 B 13 VAL CA C 13 66.056 0.010 B 13 VAL CB C 13 32.175 0.042 B 13 VAL N N 15 123.119 0.046 B 14 CYS H H 1 9.128 0.004 B 14 CYS HA H 1 4.209 0.005 B 14 CYS HBx H 1 2.985 0.016 B 14 CYS HBy H 1 3.183 0.018 B 14 CYS C C 13 179.874 0.000 B 14 CYS CA C 13 66.249 0.020 B 14 CYS CB C 13 28.837 0.071 B 14 CYS N N 15 125.667 0.037 B 15 ARG H H 1 8.074 0.009 B 15 ARG HA H 1 4.028 0.013 B 15 ARG HBx H 1 2.031 0.008 B 15 ARG HBy H 1 2.032 0.013 B 15 ARG HDx H 1 3.287 0.018 B 15 ARG HDy H 1 3.288 0.016 B 15 ARG HGx H 1 1.645 0.008 B 15 ARG HGy H 1 1.917 0.005 B 15 ARG C C 13 177.657 0.000 B 15 ARG CA C 13 59.665 0.026 B 15 ARG CB C 13 29.972 0.013 B 15 ARG N N 15 122.000 0.078 B 16 ASP H H 1 7.561 0.004 B 16 ASP HA H 1 4.823 0.010 B 16 ASP HBy H 1 2.965 0.008 B 16 ASP HBx H 1 2.740 0.009 B 16 ASP C C 13 176.502 0.000 B 16 ASP CA C 13 54.343 0.015 B 16 ASP CB C 13 40.756 0.011 B 16 ASP N N 15 117.958 0.022 B 17 GLY H H 1 7.933 0.007 B 17 GLY HAy H 1 4.266 0.012 B 17 GLY HAx H 1 3.856 0.017 B 17 GLY C C 13 175.569 0.000 B 17 GLY CA C 13 45.672 0.006 B 17 GLY N N 15 108.518 0.045 B 18 GLY H H 1 8.548 0.003 B 18 GLY HAx H 1 3.420 0.013 B 18 GLY HAy H 1 4.085 0.011 B 18 GLY C C 13 173.675 0.000 B 18 GLY CA C 13 45.785 0.009 B 18 GLY N N 15 110.087 0.038 B 19 GLU H H 1 8.733 0.005 B 19 GLU HA H 1 4.158 0.004 B 19 GLU HBy H 1 1.920 0.011 B 19 GLU HBx H 1 1.646 0.009 B 19 GLU HGx H 1 2.167 0.004 B 19 GLU HGy H 1 2.167 0.004 B 19 GLU C C 13 176.228 0.000 B 19 GLU CA C 13 56.979 0.024 B 19 GLU CB C 13 31.342 0.029 B 19 GLU N N 15 125.025 0.042 B 20 LEU H H 1 8.533 0.007 B 20 LEU HA H 1 4.494 0.010 B 20 LEU HBx H 1 1.273 0.010 B 20 LEU HBy H 1 1.652 0.008 B 20 LEU HDx% H 1 0.016 0.008 B 20 LEU HDy% H 1 0.655 0.005 B 20 LEU HG H 1 1.266 0.015 B 20 LEU C C 13 176.681 0.000 B 20 LEU CA C 13 53.345 0.031 B 20 LEU CB C 13 45.832 0.027 B 20 LEU N N 15 124.736 0.091 B 21 PHE H H 1 8.764 0.002 B 21 PHE HA H 1 4.769 0.012 B 21 PHE HBx H 1 2.678 0.006 B 21 PHE HBy H 1 3.572 0.009 B 21 PHE HDx H 1 7.163 0.016 B 21 PHE HDy H 1 7.163 0.016 B 21 PHE HEx H 1 7.240 0.030 B 21 PHE HEy H 1 7.240 0.030 B 21 PHE HZ H 1 7.302 0.022 B 21 PHE C C 13 174.253 0.000 B 21 PHE CA C 13 57.569 0.056 B 21 PHE CB C 13 38.386 0.041 B 21 PHE N N 15 122.602 0.038 B 22 CYS H H 1 6.850 0.003 B 22 CYS HA H 1 5.993 0.008 B 22 CYS HBy H 1 4.257 0.009 B 22 CYS HBx H 1 2.669 0.010 B 22 CYS C C 13 173.584 0.000 B 22 CYS CA C 13 52.441 0.054 B 22 CYS CB C 13 50.915 0.038 B 22 CYS N N 15 113.955 0.049 B 23 CYS H H 1 9.573 0.004 B 23 CYS HA H 1 4.958 0.006 B 23 CYS HBx H 1 3.186 0.020 B 23 CYS HBy H 1 3.607 0.004 B 23 CYS C C 13 175.485 0.000 B 23 CYS CA C 13 58.336 0.030 B 23 CYS CB C 13 31.086 0.043 B 23 CYS N N 15 119.842 0.038 B 24 ASP H H 1 8.924 0.005 B 24 ASP HA H 1 4.345 0.004 B 24 ASP HBx H 1 2.779 0.010 B 24 ASP HBy H 1 2.790 0.010 B 24 ASP C C 13 178.262 0.000 B 24 ASP CA C 13 58.123 0.013 B 24 ASP CB C 13 41.003 0.027 B 24 ASP N N 15 120.211 0.035 B 25 THR H H 1 8.262 0.005 B 25 THR HA H 1 4.047 0.009 B 25 THR HB H 1 4.431 0.004 B 25 THR HG2% H 1 1.270 0.003 B 25 THR C C 13 177.392 0.000 B 25 THR CA C 13 66.749 0.025 B 25 THR CB C 13 68.596 0.021 B 25 THR N N 15 116.939 0.046 B 26 CYS H H 1 9.037 0.005 B 26 CYS HA H 1 3.962 0.007 B 26 CYS HBx H 1 3.267 0.016 B 26 CYS HBy H 1 3.283 0.015 B 26 CYS C C 13 177.812 0.000 B 26 CYS CA C 13 65.189 0.014 B 26 CYS CB C 13 30.514 0.030 B 26 CYS N N 15 127.683 0.037 B 27 SER H H 1 8.739 0.004 B 27 SER HA H 1 4.332 0.009 B 27 SER HBx H 1 3.979 0.014 B 27 SER HBy H 1 3.979 0.012 B 27 SER C C 13 174.886 0.000 B 27 SER CA C 13 61.518 0.016 B 27 SER CB C 13 63.230 0.010 B 27 SER N N 15 113.442 0.050 B 28 ARG H H 1 7.167 0.006 B 28 ARG HA H 1 4.413 0.016 B 28 ARG HBy H 1 1.933 0.007 B 28 ARG HBx H 1 1.932 0.008 B 28 ARG HDx H 1 3.258 0.008 B 28 ARG HDy H 1 3.263 0.009 B 28 ARG HGy H 1 1.730 0.003 B 28 ARG HGx H 1 1.727 0.007 B 28 ARG C C 13 177.480 0.000 B 28 ARG CA C 13 57.562 0.035 B 28 ARG CB C 13 30.619 0.015 B 28 ARG N N 15 116.960 0.103 B 29 VAL H H 1 7.180 0.011 B 29 VAL HA H 1 3.952 0.004 B 29 VAL HB H 1 1.500 0.006 B 29 VAL HGx% H 1 0.668 0.006 B 29 VAL HGy% H 1 0.213 0.004 B 29 VAL C C 13 176.045 0.000 B 29 VAL CA C 13 63.873 0.033 B 29 VAL CB C 13 33.379 0.064 B 29 VAL N N 15 117.398 0.084 B 30 PHE H H 1 8.195 0.005 B 30 PHE HA H 1 5.168 0.008 B 30 PHE HBx H 1 2.550 0.011 B 30 PHE HBy H 1 3.147 0.012 B 30 PHE HDx H 1 6.838 0.007 B 30 PHE HDy H 1 6.838 0.007 B 30 PHE HEx H 1 7.152 0.013 B 30 PHE HEy H 1 7.152 0.013 B 30 PHE HZ H 1 7.121 0.008 B 30 PHE C C 13 176.539 0.000 B 30 PHE CA C 13 54.782 0.039 B 30 PHE CB C 13 39.442 0.051 B 30 PHE N N 15 123.330 0.036 B 31 HIS H H 1 7.684 0.005 B 31 HIS HA H 1 3.734 0.006 B 31 HIS HBx H 1 3.148 0.006 B 31 HIS HBy H 1 3.494 0.007 B 31 HIS HD1 H 1 11.623 0.003 B 31 HIS HD2 H 1 7.195 0.011 B 31 HIS HE1 H 1 7.674 0.004 B 31 HIS C C 13 176.486 0.000 B 31 HIS CA C 13 63.361 0.039 B 31 HIS CB C 13 29.467 0.030 B 31 HIS N N 15 119.892 0.029 B 32 GLU H H 1 8.765 0.002 B 32 GLU HA H 1 4.187 0.006 B 32 GLU HBx H 1 2.213 0.014 B 32 GLU HBy H 1 2.234 0.013 B 32 GLU HGx H 1 2.563 0.011 B 32 GLU HGy H 1 2.564 0.009 B 32 GLU C C 13 180.770 0.000 B 32 GLU CA C 13 60.722 0.057 B 32 GLU CB C 13 29.253 0.002 B 32 GLU N N 15 114.056 0.048 B 33 ASP H H 1 8.357 0.008 B 33 ASP HA H 1 4.683 0.009 B 33 ASP HBx H 1 2.885 0.021 B 33 ASP HBy H 1 2.925 0.025 B 33 ASP C C 13 178.865 0.000 B 33 ASP CA C 13 56.896 0.035 B 33 ASP CB C 13 41.271 0.025 B 33 ASP N N 15 120.376 0.068 B 34 CYS H H 1 8.281 0.002 B 34 CYS HA H 1 4.563 0.010 B 34 CYS HBx H 1 2.640 0.012 B 34 CYS HBy H 1 3.294 0.010 B 34 CYS C C 13 174.431 0.000 B 34 CYS CA C 13 59.183 0.061 B 34 CYS CB C 13 42.809 0.060 B 34 CYS N N 15 116.785 0.047 B 35 HIS H H 1 7.736 0.005 B 35 HIS HA H 1 5.297 0.009 B 35 HIS HBx H 1 3.375 0.007 B 35 HIS HBy H 1 3.585 0.005 B 35 HIS HD1 H 1 11.401 0.006 B 35 HIS HD2 H 1 6.837 0.010 B 35 HIS HE1 H 1 7.902 0.008 B 35 HIS C C 13 174.507 0.000 B 35 HIS CA C 13 56.309 0.059 B 35 HIS CB C 13 30.007 0.039 B 35 HIS N N 15 117.514 0.035 B 36 ILE H H 1 7.721 0.006 B 36 ILE HA H 1 4.541 0.011 B 36 ILE HB H 1 2.143 0.004 B 36 ILE HD1% H 1 0.996 0.013 B 36 ILE HG1y H 1 1.797 0.012 B 36 ILE HG1x H 1 1.324 0.012 B 36 ILE HG2% H 1 0.940 0.016 B 36 ILE CA C 13 58.841 0.147 B 36 ILE CB C 13 37.800 0.021 B 36 ILE N N 15 125.647 0.076 B 37 PRO HA H 1 4.996 0.004 B 37 PRO HBy H 1 2.486 0.006 B 37 PRO HBx H 1 2.011 0.004 B 37 PRO HDy H 1 3.677 0.032 B 37 PRO HDx H 1 3.608 0.024 B 37 PRO HGy H 1 2.026 0.006 B 37 PRO HGx H 1 1.888 0.011 B 37 PRO CA C 13 63.247 0.048 B 37 PRO CB C 13 35.070 0.030 B 38 PRO HA H 1 4.427 0.005 B 38 PRO HBx H 1 2.157 0.002 B 38 PRO HBy H 1 2.157 0.003 B 38 PRO HDy H 1 3.058 0.006 B 38 PRO HDx H 1 2.884 0.016 B 38 PRO HGx H 1 1.798 0.014 B 38 PRO HGy H 1 1.827 0.015 B 38 PRO C C 13 177.005 0.000 B 38 PRO CA C 13 61.854 0.020 B 38 PRO CB C 13 32.188 0.021 B 39 VAL H H 1 8.300 0.011 B 39 VAL HA H 1 3.988 0.005 B 39 VAL HB H 1 2.140 0.009 B 39 VAL HGx% H 1 0.984 0.007 B 39 VAL HGy% H 1 0.983 0.007 B 39 VAL C C 13 176.915 0.000 B 39 VAL CA C 13 63.092 0.036 B 39 VAL CB C 13 31.948 0.098 B 39 VAL N N 15 120.124 0.097 B 40 GLU H H 1 8.450 0.013 B 40 GLU HA H 1 4.139 0.011 B 40 GLU HBy H 1 2.033 0.024 B 40 GLU HBx H 1 2.022 0.018 B 40 GLU HGx H 1 2.271 0.003 B 40 GLU HGy H 1 2.276 0.000 B 40 GLU C C 13 176.909 0.000 B 40 GLU CA C 13 57.652 0.029 B 40 GLU CB C 13 29.751 0.102 B 40 GLU N N 15 123.144 0.108 B 41 ALA H H 1 8.317 0.012 B 41 ALA HA H 1 4.215 0.002 B 41 ALA HB% H 1 1.430 0.004 B 41 ALA C C 13 177.980 0.000 B 41 ALA CA C 13 53.549 0.039 B 41 ALA CB C 13 19.117 0.044 B 41 ALA N N 15 123.246 0.094 B 42 GLU H H 1 8.217 0.003 B 42 GLU HA H 1 4.339 0.009 B 42 GLU HBx H 1 1.920 0.025 B 42 GLU HBy H 1 1.932 0.010 B 42 GLU HGx H 1 2.231 0.008 B 42 GLU HGy H 1 2.231 0.009 B 42 GLU C C 13 176.299 0.000 B 42 GLU CA C 13 56.201 0.059 B 42 GLU CB C 13 30.193 0.009 B 42 GLU N N 15 117.800 0.062 B 43 ARG H H 1 8.098 0.017 B 43 ARG HA H 1 4.356 0.010 B 43 ARG HBy H 1 1.897 0.025 B 43 ARG HBx H 1 1.819 0.016 B 43 ARG HDy H 1 3.231 0.003 B 43 ARG HDx H 1 3.229 0.004 B 43 ARG HGy H 1 1.655 0.022 B 43 ARG HGx H 1 1.608 0.015 B 43 ARG C C 13 176.096 0.000 B 43 ARG CA C 13 56.358 0.019 B 43 ARG CB C 13 30.335 0.071 B 43 ARG N N 15 121.982 0.059 B 44 THR H H 1 8.129 0.004 B 44 THR HA H 1 4.567 0.007 B 44 THR HB H 1 3.776 0.016 B 44 THR HG2% H 1 1.174 0.008 B 44 THR CA C 13 59.197 0.023 B 44 THR CB C 13 69.627 0.030 B 44 THR N N 15 116.808 0.052 B 45 PRO HA H 1 4.362 0.007 B 45 PRO HBy H 1 2.213 0.016 B 45 PRO HBx H 1 1.713 0.007 B 45 PRO HDx H 1 3.316 0.017 B 45 PRO HDy H 1 3.713 0.011 B 45 PRO HGy H 1 1.894 0.012 B 45 PRO HGx H 1 1.886 0.013 B 45 PRO C C 13 177.594 0.000 B 45 PRO CA C 13 63.849 0.016 B 45 PRO CB C 13 31.608 0.027 B 46 TRP H H 1 7.553 0.012 B 46 TRP HA H 1 4.699 0.008 B 46 TRP HBx H 1 3.350 0.014 B 46 TRP HBy H 1 3.362 0.015 B 46 TRP HD1 H 1 7.296 0.020 B 46 TRP HE1 H 1 10.310 0.003 B 46 TRP HE3 H 1 7.624 0.004 B 46 TRP HH2 H 1 7.228 0.004 B 46 TRP HZ2 H 1 7.523 0.007 B 46 TRP HZ3 H 1 7.195 0.005 B 46 TRP C C 13 175.728 0.000 B 46 TRP CA C 13 57.098 0.031 B 46 TRP CB C 13 29.161 0.037 B 46 TRP N N 15 117.832 0.075 B 47 ASN H H 1 7.897 0.007 B 47 ASN HA H 1 4.605 0.007 B 47 ASN HBy H 1 2.811 0.013 B 47 ASN HBx H 1 2.650 0.011 B 47 ASN HD21 H 1 6.978 0.014 B 47 ASN HD22 H 1 7.594 0.018 B 47 ASN C C 13 175.760 0.000 B 47 ASN CA C 13 53.345 0.030 B 47 ASN CB C 13 39.637 0.018 B 47 ASN N N 15 120.460 0.060 B 48 CYS H H 1 7.989 0.012 B 48 CYS HA H 1 4.742 0.008 B 48 CYS HBx H 1 3.094 0.014 B 48 CYS HBy H 1 3.184 0.020 B 48 CYS C C 13 176.395 0.000 B 48 CYS CA C 13 58.906 0.058 B 48 CYS CB C 13 30.932 0.011 B 48 CYS N N 15 122.391 0.104 B 49 ILE H H 1 8.145 0.006 B 49 ILE HA H 1 3.833 0.006 B 49 ILE HB H 1 1.629 0.007 B 49 ILE HD1% H 1 0.807 0.007 B 49 ILE HG13 H 1 1.170 0.007 B 49 ILE HG2% H 1 0.647 0.004 B 49 ILE C C 13 176.479 0.000 B 49 ILE CA C 13 64.706 0.042 B 49 ILE CB C 13 39.050 0.026 B 49 ILE N N 15 125.759 0.042 B 50 PHE H H 1 8.438 0.002 B 50 PHE HA H 1 4.610 0.014 B 50 PHE HBy H 1 3.570 0.007 B 50 PHE HBx H 1 3.234 0.017 B 50 PHE HDx H 1 7.183 0.012 B 50 PHE HDy H 1 7.183 0.012 B 50 PHE HEx H 1 7.055 0.012 B 50 PHE HEy H 1 7.055 0.012 B 50 PHE HZ H 1 7.055 0.014 B 50 PHE C C 13 178.199 0.000 B 50 PHE CA C 13 61.091 0.059 B 50 PHE CB C 13 41.681 0.025 B 50 PHE N N 15 121.788 0.055 B 51 CYS H H 1 8.708 0.005 B 51 CYS HA H 1 4.364 0.011 B 51 CYS HBx H 1 3.014 0.025 B 51 CYS HBy H 1 3.030 0.019 B 51 CYS C C 13 176.938 0.000 B 51 CYS CA C 13 63.792 0.072 B 51 CYS CB C 13 30.825 0.004 B 51 CYS N N 15 125.111 0.037 B 52 ARG H H 1 7.942 0.004 B 52 ARG HA H 1 4.159 0.008 B 52 ARG HBx H 1 1.802 0.001 B 52 ARG HBy H 1 1.808 0.012 B 52 ARG HDy H 1 3.031 0.003 B 52 ARG HDx H 1 3.030 0.005 B 52 ARG HGy H 1 1.482 0.008 B 52 ARG HGx H 1 1.481 0.008 B 52 ARG C C 13 176.497 0.000 B 52 ARG CA C 13 56.932 0.022 B 52 ARG CB C 13 29.460 0.034 B 52 ARG N N 15 117.942 0.038 B 53 MET H H 1 7.846 0.004 B 53 MET HA H 1 4.386 0.018 B 53 MET HBx H 1 2.548 0.002 B 53 MET HBy H 1 2.650 0.006 B 53 MET HGx H 1 2.079 0.018 B 53 MET HGy H 1 2.141 0.016 B 53 MET CA C 13 56.025 0.033 B 53 MET CB C 13 32.662 0.011 B 53 MET N N 15 119.526 0.042 B 54 LYS H H 1 8.038 0.016 B 54 LYS HA H 1 4.419 0.019 B 54 LYS HBy H 1 1.964 0.017 B 54 LYS HBx H 1 1.892 0.017 B 54 LYS HD3 H 1 1.785 0.014 B 54 LYS HE3 H 1 3.071 0.009 B 54 LYS HGy H 1 1.555 0.018 B 54 LYS HGx H 1 1.528 0.015 B 54 LYS C C 13 176.509 0.000 B 54 LYS CA C 13 56.526 0.153 B 54 LYS CB C 13 33.308 0.024 B 54 LYS N N 15 121.910 0.083 B 55 GLU H H 1 8.379 0.015 B 55 GLU HA H 1 4.400 0.016 B 55 GLU HBx H 1 2.013 0.006 B 55 GLU HBy H 1 2.181 0.009 B 55 GLU HGy H 1 2.365 0.008 B 55 GLU HGx H 1 2.348 0.018 B 55 GLU C C 13 175.746 0.000 B 55 GLU CA C 13 56.634 0.112 B 55 GLU CB C 13 30.451 0.057 B 55 GLU N N 15 122.834 0.071 B 56 SER H H 1 8.014 0.014 B 56 SER HA H 1 4.323 0.004 B 56 SER HB3 H 1 3.916 0.008 B 56 SER CA C 13 60.049 0.032 B 56 SER CB C 13 64.807 0.005 B 56 SER N N 15 122.853 0.070 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 B 30 PHE HDx B 30 PHE HEy 1.0 1.871 4.093 2 1 B 30 PHE HDy B 30 PHE HEy 1.0 1.871 4.093 3 1 B 30 PHE HEx B 30 PHE HDy 1.0 1.871 4.093 4 1 B 30 PHE HEx B 30 PHE HDx 1.0 1.871 4.093 5 2 B 21 PHE HBy B 21 PHE HDy 1.0 1.918 4.460 6 2 B 21 PHE HBy B 21 PHE HDx 1.0 1.918 4.460 7 3 B 50 PHE HBx B 50 PHE HDy 1.0 1.926 4.538 8 3 B 50 PHE HBx B 50 PHE HDx 1.0 1.926 4.538 9 4 B 30 PHE HEy B 29 VAL HB 1.0 1.997 5.667 10 4 B 30 PHE HEx B 29 VAL HB 1.0 1.997 5.667 11 5 B 46 TRP HH2 B 46 TRP HZ2 1.0 1.806 3.704 12 6 B 46 TRP HZ3 B 46 TRP HE3 1.0 1.848 3.950 13 7 B 35 HIS HBx B 35 HIS HD2 1.0 1.835 3.865 14 8 B 46 TRP HE3 B 46 TRP HA 1.0 1.999 6.213 15 9 B 31 HIS HE1 B 20 LEU HDy% 1.0 1.889 4.225 16 10 B 35 HIS HE1 B 13 VAL HGy% 1.0 1.963 4.945 17 11 B 20 LEU HDy% B 35 HIS HE1 1.0 1.937 4.639 18 12 B 30 PHE HDy B 29 VAL HB 1.0 1.995 5.593 19 12 B 30 PHE HDx B 29 VAL HB 1.0 1.995 5.593 20 13 B 31 HIS HE1 B 20 LEU HDx% 1.0 1.769 3.513 21 14 B 19 GLU HBx B 21 PHE HZ 1.0 1.926 4.542 22 15 B 21 PHE HZ B 19 GLU HBy 1.0 1.909 4.387 23 16 B 35 HIS HD2 B 31 HIS HD2 1.0 1.875 4.121 24 17 B 31 HIS HE1 B 8 LEU HBx 1.0 1.963 4.945 25 18 B 31 HIS HD2 B 32 GLU HBy 1.0 1.947 7.359 26 19 B 31 HIS HD2 B 31 HIS HBx 1.0 1.986 6.684 27 20 B 31 HIS HD2 B 31 HIS HBy 1.0 1.878 4.142 28 21 B 30 PHE HDy B 30 PHE HBx 1.0 1.932 4.590 29 21 B 30 PHE HDx B 30 PHE HBx 1.0 1.932 4.590 30 22 B 30 PHE HDy B 26 CYS HBy 1.0 1.909 4.387 31 22 B 30 PHE HDx B 26 CYS HBy 1.0 1.909 4.387 32 23 B 35 HIS HE1 B 20 LEU HG 1.0 1.772 3.528 33 24 B 30 PHE HEy B 30 PHE HBy 1.0 2.000 5.874 34 24 B 30 PHE HEx B 30 PHE HBy 1.0 2.000 5.874 35 25 B 30 PHE HEy B 26 CYS HBy 1.0 1.981 5.245 36 25 B 30 PHE HEx B 26 CYS HBy 1.0 1.981 5.245 37 26 B 35 HIS HE1 B 18 GLY HAx 1.0 1.978 5.176 38 27 B 36 ILE HB B 36 ILE HD1% 1.0 1.761 3.475 39 28 B 36 ILE HD1% B 36 ILE HG1y 1.0 1.662 3.050 40 29 B 36 ILE HD1% B 36 ILE HG1x 1.0 1.639 2.961 41 30 B 21 PHE HBy B 21 PHE HA 1.0 1.860 4.026 42 31 B 21 PHE HBy B 21 PHE HBx 1.0 1.496 2.488 43 32 B 21 PHE HDy B 21 PHE HBx 1.0 1.892 4.246 44 32 B 21 PHE HDx B 21 PHE HBx 1.0 1.892 4.246 45 33 B 50 PHE HBx B 50 PHE HA 1.0 1.825 3.809 46 34 B 50 PHE HA B 50 PHE HBy 1.0 1.929 4.565 47 35 B 30 PHE HBx B 30 PHE HBy 1.0 1.504 2.512 48 36 B 38 PRO HBx B 38 PRO HA 1.0 1.604 2.838 49 37 B 37 PRO HA B 37 PRO HBy 1.0 1.925 4.529 50 38 B 37 PRO HBy B 37 PRO HDy 1.0 1.973 6.965 51 39 B 37 PRO HA B 37 PRO HBx 1.0 1.843 3.911 52 40 B 37 PRO HDy B 37 PRO HBx 1.0 1.957 7.203 53 41 B 37 PRO HBy B 37 PRO HBx 1.0 1.585 2.769 54 42 B 37 PRO HA B 37 PRO HGy 1.0 1.987 6.659 55 43 B 37 PRO HDx B 37 PRO HGx 1.0 1.995 5.605 56 44 B 37 PRO HBx B 37 PRO HGy 1.0 1.866 4.066 57 45 B 37 PRO HBx B 37 PRO HGx 1.0 1.996 5.626 58 46 B 44 THR HA B 45 PRO HDx 1.0 1.435 2.313 59 47 B 34 CYS HBx B 34 CYS HA 1.0 1.773 3.529 60 48 B 35 HIS HE1 B 20 LEU HA 1.0 1.999 6.123 61 49 B 20 LEU HA B 35 HIS HA 1.0 1.840 3.894 62 50 B 20 LEU HA B 20 LEU HBx 1.0 1.817 3.765 63 51 B 20 LEU HA B 20 LEU HBy 1.0 1.627 2.921 64 52 B 20 LEU HDy% B 20 LEU HA 1.0 1.682 3.130 65 53 B 35 HIS HE1 B 20 LEU HBx 1.0 1.929 7.571 66 54 B 20 LEU HBx B 20 LEU HBy 1.0 1.391 2.195 67 55 B 20 LEU HDy% B 20 LEU HBy 1.0 1.776 3.548 68 56 B 20 LEU HDy% B 20 LEU HG 1.0 1.739 3.371 69 57 B 20 LEU HDx% B 20 LEU HG 1.0 1.716 3.268 70 58 B 20 LEU HG B 20 LEU HBx 1.0 1.778 3.560 71 59 B 20 LEU HDy% B 31 HIS HD2 1.0 1.993 6.479 72 60 B 20 LEU HDy% B 27 SER HBx 1.0 1.904 4.344 73 61 B 20 LEU HDy% B 31 HIS HA 1.0 1.990 5.442 74 62 B 20 LEU HDy% B 20 LEU HBx 1.0 1.964 4.956 75 63 B 20 LEU HDx% B 35 HIS HA 1.0 1.933 7.527 76 64 B 20 LEU HDx% B 20 LEU HA 1.0 1.927 4.551 77 65 B 20 LEU HDx% B 20 LEU HBx 1.0 1.631 2.933 78 66 B 20 LEU HDy% B 20 LEU HDx% 1.0 1.498 2.494 79 67 B 35 HIS HE1 B 14 CYS HA 1.0 1.852 3.972 80 68 B 14 CYS HA B 14 CYS HBx 1.0 1.772 3.528 81 69 B 14 CYS HA B 14 CYS HBy 1.0 1.704 3.222 82 70 B 13 VAL HGy% B 14 CYS HA 1.0 1.971 5.061 83 71 B 31 HIS HBx B 31 HIS HBy 1.0 1.439 2.323 84 72 B 11 CYS HBy B 11 CYS HA 1.0 1.702 3.212 85 73 B 22 CYS HA B 22 CYS HBy 1.0 1.875 4.125 86 74 B 22 CYS HBy B 22 CYS HBx 1.0 1.514 2.544 87 75 B 23 CYS HBx B 23 CYS HA 1.0 1.789 3.613 88 76 B 23 CYS HA B 23 CYS HBy 1.0 1.892 4.248 89 77 B 30 PHE HBx B 30 PHE HA 1.0 1.866 4.064 90 78 B 30 PHE HBy B 30 PHE HA 1.0 1.816 3.758 91 79 B 29 VAL HB B 29 VAL HA 1.0 1.767 3.505 92 80 B 16 ASP HBy B 13 VAL HA 1.0 1.995 6.419 93 81 B 13 VAL HGy% B 13 VAL HA 1.0 1.617 2.883 94 82 B 13 VAL HA B 13 VAL HB 1.0 1.746 3.404 95 83 B 13 VAL HA B 12 GLU HBy 1.0 1.944 4.722 96 84 B 13 VAL HA B 16 ASP HBx 1.0 1.758 3.460 97 85 B 13 VAL HGy% B 18 GLY HAy 1.0 1.915 4.431 98 86 B 13 VAL HGy% B 18 GLY HAx 1.0 1.566 2.708 99 87 B 13 VAL HGy% B 13 VAL HB 1.0 1.559 2.683 100 88 B 13 VAL HA B 13 VAL HGx% 1.0 1.663 6.000 101 89 B 16 ASP HBx B 13 VAL HGx% 1.0 2.000 5.956 102 90 B 12 GLU HBy B 13 VAL HGx% 1.0 1.918 4.460 103 91 B 13 VAL HB B 13 VAL HGx% 1.0 1.460 2.384 104 92 B 13 VAL HGy% B 13 VAL HGx% 1.0 1.383 2.175 105 93 B 2 ALA HA B 2 ALA HB% 1.0 1.700 3.202 106 94 B 5 MET HBy B 5 MET HA 1.0 1.836 3.872 107 95 B 5 MET HBy B 5 MET HGy 1.0 1.759 3.463 108 96 B 7 ASN HA B 7 ASN HBy 1.0 1.781 3.573 109 97 B 7 ASN HA B 7 ASN HBx 1.0 1.778 3.556 110 98 B 7 ASN HBy B 7 ASN HBx 1.0 1.395 2.205 111 99 B 8 LEU HBx B 8 LEU HDx% 1.0 1.643 2.975 112 100 B 8 LEU HDx% B 8 LEU HBy 1.0 1.777 3.553 113 101 B 8 LEU HBy B 8 LEU HA 1.0 1.807 3.709 114 102 B 9 ASP HBy B 9 ASP HA 1.0 1.750 3.424 115 103 B 9 ASP HA B 9 ASP HBx 1.0 1.799 3.665 116 104 B 15 ARG HGy B 12 GLU HA 1.0 1.978 5.178 117 105 B 12 GLU HA B 12 GLU HBx 1.0 1.711 3.247 118 106 B 12 GLU HBy B 12 GLU HA 1.0 1.841 3.901 119 107 B 15 ARG HGy B 15 ARG HA 1.0 1.817 3.763 120 108 B 16 ASP HBy B 15 ARG HA 1.0 1.932 7.548 121 109 B 15 ARG HA B 16 ASP HA 1.0 1.999 6.129 122 110 B 15 ARG HA B 15 ARG HGx 1.0 1.800 3.666 123 111 B 16 ASP HBy B 16 ASP HA 1.0 1.765 3.491 124 112 B 16 ASP HBx B 16 ASP HA 1.0 1.906 4.358 125 113 B 17 GLY HAy B 17 GLY HAx 1.0 1.447 2.347 126 114 B 18 GLY HAx B 18 GLY HAy 1.0 1.353 2.097 127 115 B 19 GLU HBx B 19 GLU HA 1.0 1.797 3.651 128 116 B 19 GLU HBx B 19 GLU HBy 1.0 1.443 2.333 129 117 B 34 CYS HBx B 34 CYS HBy 1.0 1.455 2.367 130 118 B 35 HIS HD2 B 35 HIS HBy 1.0 2.000 6.128 131 119 B 35 HIS HBx B 35 HIS HBy 1.0 1.424 2.282 132 120 B 36 ILE HG1x B 36 ILE HA 1.0 1.808 3.712 133 121 B 36 ILE HB B 36 ILE HA 1.0 1.874 4.122 134 122 B 36 ILE HB B 36 ILE HG1y 1.0 1.724 3.304 135 123 B 36 ILE HB B 36 ILE HG1x 1.0 1.836 3.872 136 124 B 36 ILE HB B 36 ILE HG2% 1.0 1.584 2.766 137 125 B 36 ILE HG1y B 36 ILE HA 1.0 1.907 4.369 138 126 B 36 ILE HG1y B 36 ILE HG1x 1.0 1.403 2.225 139 127 B 33 ASP HBx B 33 ASP HA 1.0 1.871 4.093 140 128 B 33 ASP HA B 33 ASP HBy 1.0 1.887 4.217 141 129 B 32 GLU HBx B 32 GLU HA 1.0 1.879 4.153 142 130 B 32 GLU HBy B 32 GLU HA 1.0 1.765 3.491 143 131 B 36 ILE HG1y B 36 ILE HG2% 1.0 1.821 3.783 144 132 B 38 PRO HBx B 38 PRO HDy 1.0 2.000 6.098 145 133 B 38 PRO HBx B 38 PRO HDx 1.0 1.995 6.419 146 134 B 38 PRO HDy B 38 PRO HGy 1.0 1.734 3.352 147 135 B 39 VAL HB B 39 VAL HA 1.0 1.654 3.020 148 136 B 25 THR HB B 25 THR HA 1.0 1.787 3.601 149 137 B 25 THR HB B 25 THR HG2% 1.0 1.515 2.547 150 138 B 25 THR HA B 25 THR HG2% 1.0 1.650 3.002 151 139 B 26 CYS HA B 26 CYS HBx 1.0 1.857 4.001 152 140 B 26 CYS HBy B 26 CYS HA 1.0 1.803 3.691 153 141 B 22 CYS HBy B 26 CYS HBx 1.0 1.682 3.126 154 142 B 26 CYS HBy B 22 CYS HBy 1.0 1.892 4.256 155 143 B 39 VAL HA B 39 VAL HGx% 1.0 1.703 3.215 156 144 B 39 VAL HB B 39 VAL HGx% 1.0 1.470 2.410 157 145 B 41 ALA HA B 41 ALA HB% 1.0 1.583 2.763 158 146 B 43 ARG HA B 43 ARG HGy 1.0 1.979 5.203 159 147 B 44 THR HA B 44 THR HB 1.0 1.782 3.576 160 148 B 44 THR HB B 45 PRO HDy 1.0 1.877 4.133 161 149 B 44 THR HA B 44 THR HG2% 1.0 1.711 3.245 162 150 B 43 ARG HA B 44 THR HG2% 1.0 1.993 5.533 163 151 B 45 PRO HDy B 44 THR HG2% 1.0 1.996 5.670 164 152 B 49 ILE HB B 49 ILE HA 1.0 1.767 3.503 165 153 B 49 ILE HA B 49 ILE HG1x 1.0 1.900 4.308 166 154 B 49 ILE HB B 49 ILE HG1x 1.0 1.796 3.650 167 155 B 38 PRO HDy B 38 PRO HDx 1.0 1.435 2.313 168 156 B 49 ILE HB B 49 ILE HG2% 1.0 1.662 3.050 169 157 B 49 ILE HG1x B 49 ILE HG2% 1.0 1.635 2.947 170 158 B 50 PHE HBx B 50 PHE HBy 1.0 1.484 2.452 171 159 B 51 CYS HBy B 51 CYS HA 1.0 1.890 4.236 172 160 B 51 CYS HA B 51 CYS HBx 1.0 1.858 4.014 173 161 B 54 LYS HBx B 52 ARG HA 1.0 1.634 6.000 174 162 B 54 LYS HA B 54 LYS HBy 1.0 1.823 3.797 175 163 B 54 LYS HBx B 54 LYS HA 1.0 1.890 4.236 176 164 B 54 LYS HBy B 54 LYS HE3 1.0 1.915 7.741 177 165 B 54 LYS HBx B 54 LYS HGy 1.0 1.797 3.657 178 166 B 54 LYS HBy B 54 LYS HGy 1.0 1.907 4.369 179 167 B 54 LYS HE3 B 54 LYS HGx 1.0 1.982 5.258 180 168 B 54 LYS HA B 54 LYS HGy 1.0 1.925 4.525 181 169 B 54 LYS HA B 54 LYS HGx 1.0 1.932 4.600 182 170 B 54 LYS HE3 B 54 LYS HDx 1.0 1.665 3.063 183 171 B 54 LYS HE3 B 54 LYS HGy 1.0 1.701 3.207 184 172 B 55 GLU HBx B 55 GLU HA 1.0 1.581 2.757 185 173 B 55 GLU HA B 55 GLU HBy 1.0 1.791 3.623 186 174 B 55 GLU HA B 55 GLU HGx 1.0 1.949 4.783 187 175 B 35 HIS HBx B 13 VAL HGx% 1.0 1.963 4.943 188 176 B 8 LEU HDx% B 8 LEU HG 1.0 1.631 2.933 189 177 B 10 GLU HA B 10 GLU HBx 1.0 1.682 3.126 190 178 B 28 ARG HA B 28 ARG HGx 1.0 1.755 3.443 191 179 B 35 HIS HD2 B 13 VAL HGy% 1.0 1.999 6.111 192 180 B 13 VAL HGy% B 35 HIS HBy 1.0 1.832 3.846 193 181 B 44 THR HB B 44 THR HG2% 1.0 1.604 2.834 194 182 B 11 CYS HBy B 13 VAL HGx% 1.0 2.000 5.970 195 183 B 22 CYS HBx B 27 SER HA 1.0 1.869 4.089 196 184 B 34 CYS HBy B 27 SER HA 1.0 1.852 3.970 197 185 B 38 PRO HA B 39 VAL HGx% 1.0 2.000 5.998 198 186 B 20 LEU HDy% B 34 CYS HBx 1.0 1.772 3.526 199 187 B 29 VAL HB B 29 VAL HGy% 1.0 1.598 2.816 200 188 B 30 PHE HDx B 29 VAL HGy% 1.0 1.992 5.500 201 188 B 30 PHE HDy B 29 VAL HGy% 1.0 1.992 5.500 202 189 B 30 PHE HEy B 29 VAL HGy% 1.0 1.943 4.713 203 189 B 30 PHE HEx B 29 VAL HGy% 1.0 1.943 4.713 204 190 B 46 TRP HE3 B 46 TRP HBx 1.0 1.964 7.110 205 191 B 45 PRO HBy B 45 PRO HA 1.0 1.650 3.004 206 192 B 45 PRO HA B 45 PRO HBx 1.0 1.889 4.231 207 193 B 45 PRO HBy B 45 PRO HBx 1.0 1.463 2.393 208 194 B 45 PRO HDx B 45 PRO HBy 1.0 1.968 7.054 209 195 B 45 PRO HDy B 45 PRO HBy 1.0 1.992 6.530 210 196 B 46 TRP HA B 46 TRP HBx 1.0 1.860 4.026 211 197 B 46 TRP HA B 46 TRP HBy 1.0 1.832 3.852 212 198 B 46 TRP HBy B 46 TRP HD1 1.0 1.997 6.337 213 199 B 45 PRO HDx B 45 PRO HBx 1.0 1.994 6.466 214 200 B 45 PRO HBx B 45 PRO HGx 1.0 1.698 3.192 215 201 B 44 THR HA B 45 PRO HDy 1.0 1.899 4.307 216 202 B 45 PRO HDy B 45 PRO HGy 1.0 1.924 4.516 217 203 B 47 ASN HBy B 47 ASN HA 1.0 1.766 3.496 218 204 B 47 ASN HA B 47 ASN HBx 1.0 1.850 3.958 219 205 B 48 CYS HA B 48 CYS HBx 1.0 1.951 4.801 220 206 B 35 HIS HD2 B 20 LEU HDy% 1.0 1.999 5.845 221 207 B 30 PHE HDy B 26 CYS HBx 1.0 1.999 6.173 222 207 B 30 PHE HDx B 26 CYS HBx 1.0 1.999 6.173 223 208 B 50 PHE HDy B 26 CYS HBy 1.0 1.996 5.610 224 208 B 50 PHE HDx B 26 CYS HBy 1.0 1.996 5.610 225 209 B 29 VAL HA B 29 VAL HGy% 1.0 1.714 3.260 226 210 B 35 HIS HA B 35 HIS HBy 1.0 1.680 3.120 227 211 B 31 HIS HBx B 31 HIS HA 1.0 1.689 3.157 228 212 B 31 HIS HA B 34 CYS HBy 1.0 1.700 3.204 229 213 B 31 HIS HBy B 31 HIS HA 1.0 1.864 4.048 230 214 B 34 CYS HBx B 31 HIS HA 1.0 1.999 5.833 231 215 B 35 HIS HBx B 13 VAL HGy% 1.0 2.000 6.134 232 216 B 13 VAL HGx% B 35 HIS HBy 1.0 1.903 4.331 233 217 B 35 HIS HE1 B 20 LEU HBy 1.0 1.994 6.440 234 218 B 35 HIS HE1 B 20 LEU HDx% 1.0 1.973 5.089 235 219 B 20 LEU HDx% B 34 CYS HBy 1.0 1.968 5.018 236 220 B 20 LEU HDx% B 34 CYS HBx 1.0 1.935 4.621 237 221 B 8 LEU HBx B 8 LEU HA 1.0 1.800 3.672 238 222 B 45 PRO HDx B 45 PRO HDy 1.0 1.413 2.255 239 223 B 20 LEU HDy% B 34 CYS HBy 1.0 1.874 4.120 240 224 B 30 PHE HDy B 50 PHE HBy 1.0 1.924 4.514 241 224 B 30 PHE HDx B 50 PHE HBy 1.0 1.924 4.514 242 225 B 30 PHE HDy B 50 PHE HBx 1.0 1.853 3.981 243 225 B 30 PHE HDx B 50 PHE HBx 1.0 1.853 3.981 244 226 B 21 PHE HBx B 49 ILE HG1x 1.0 1.902 4.330 245 227 B 23 CYS HBx B 23 CYS HBy 1.0 1.498 2.492 246 228 B 31 HIS HD2 B 31 HIS HA 1.0 1.997 6.313 247 229 B 22 CYS HBx B 26 CYS HBx 1.0 1.988 6.630 248 230 B 33 ASP HBy B 50 PHE HEy 1.0 1.982 5.262 249 230 B 33 ASP HBy B 50 PHE HEx 1.0 1.982 5.262 250 231 B 39 VAL HB B 39 VAL HGy% 1.0 1.500 2.500 251 232 B 45 PRO HDy B 45 PRO HA 1.0 1.998 5.774 252 233 B 39 VAL HA B 39 VAL HGy% 1.0 1.707 3.229 253 234 B 31 HIS HBx B 28 ARG HA 1.0 1.973 5.097 254 235 B 27 SER HBy B 24 ASP HA 1.0 1.833 3.859 255 236 B 24 ASP HA B 24 ASP HBx 1.0 1.845 3.927 256 237 B 24 ASP HA B 24 ASP HBy 1.0 1.747 3.407 257 238 B 35 HIS HD2 B 32 GLU HA 1.0 1.810 3.724 258 239 B 31 HIS HD2 B 32 GLU HA 1.0 1.933 4.599 259 240 B 49 ILE HA B 49 ILE HG2% 1.0 1.764 3.486 260 241 B 21 PHE HBy B 49 ILE HG2% 1.0 1.890 4.240 261 242 B 36 ILE HD1% B 33 ASP HA 1.0 1.870 4.088 262 243 B 36 ILE HD1% B 36 ILE HA 1.0 1.984 5.316 263 244 B 19 GLU HA B 21 PHE HEy 1.0 1.946 7.370 264 244 B 19 GLU HA B 21 PHE HEx 1.0 1.946 7.370 265 245 B 32 GLU HBy B 33 ASP HA 1.0 1.997 6.289 266 246 B 33 ASP HA B 32 GLU HBx 1.0 1.979 6.851 267 247 B 34 CYS HBx B 27 SER HA 1.0 1.958 4.890 268 248 B 30 PHE HDy B 30 PHE HA 1.0 1.925 4.525 269 248 B 30 PHE HDx B 30 PHE HA 1.0 1.925 4.525 270 249 B 50 PHE HA B 53 MET HGy 1.0 1.996 6.344 271 250 B 30 PHE HBx B 33 ASP HBy 1.0 1.997 5.649 272 251 B 45 PRO HDx B 44 THR HG2% 1.0 1.986 6.680 273 252 B 37 PRO HDy B 37 PRO HGy 1.0 1.886 4.200 274 253 B 34 CYS HBx B 20 LEU HBy 1.0 1.942 4.696 275 254 B 35 HIS HBx B 35 HIS HA 1.0 1.826 3.812 276 255 B 36 ILE HG1x B 35 HIS HBy 1.0 1.970 7.000 277 256 B 21 PHE HBx B 49 ILE HG2% 1.0 1.965 4.977 278 257 B 38 PRO HBx B 38 PRO HGx 1.0 1.660 3.040 279 258 B 38 PRO HBx B 38 PRO HGy 1.0 1.809 3.719 280 259 B 38 PRO HDx B 38 PRO HGy 1.0 1.899 4.303 281 260 B 38 PRO HDx B 38 PRO HGx 1.0 1.734 3.346 282 261 B 38 PRO HDy B 38 PRO HGx 1.0 1.959 4.905 283 262 B 38 PRO HA B 38 PRO HGy 1.0 2.000 5.870 284 263 B 45 PRO HDy B 45 PRO HBx 1.0 1.894 4.262 285 264 B 46 TRP HH2 B 45 PRO HDx 1.0 1.999 6.161 286 265 B 45 PRO HDx B 45 PRO HGx 1.0 1.905 4.353 287 266 B 45 PRO HA B 45 PRO HGx 1.0 1.992 6.506 288 267 B 43 ARG HA B 44 THR HB 1.0 1.988 6.000 289 268 B 35 HIS HBx B 32 GLU HA 1.0 1.942 4.702 290 269 B 31 HIS HD2 B 32 GLU HGy 1.0 1.980 5.212 291 270 B 50 PHE HDy B 49 ILE HG2% 1.0 1.996 6.388 292 270 B 50 PHE HDx B 49 ILE HG2% 1.0 1.996 6.388 293 271 B 38 PRO HA B 38 PRO HDx 1.0 1.978 5.172 294 272 B 35 HIS HD2 B 32 GLU HGy 1.0 1.925 7.633 295 273 B 31 HIS HD2 B 11 CYS HBy 1.0 1.947 4.753 296 274 B 11 CYS HA B 11 CYS HBx 1.0 1.880 4.164 297 275 B 13 VAL HGx% B 32 GLU HA 1.0 1.965 4.983 298 276 B 36 ILE HD1% B 32 GLU HA 1.0 1.999 5.799 299 277 B 14 CYS HBx B 8 LEU HDy% 1.0 2.000 5.934 300 278 B 8 LEU HBx B 11 CYS HBx 1.0 1.984 5.304 301 279 B 8 LEU HBx B 11 CYS HBy 1.0 1.990 5.450 302 280 B 14 CYS HBy B 8 LEU HDy% 1.0 1.935 4.617 303 281 B 21 PHE HA B 21 PHE HBx 1.0 1.965 4.977 304 282 B 26 CYS HBy B 22 CYS HBx 1.0 1.966 7.078 305 283 B 29 VAL HB B 26 CYS HA 1.0 1.828 3.824 306 284 B 25 THR HG2% B 26 CYS HA 1.0 1.961 4.913 307 285 B 31 HIS HA B 27 SER HA 1.0 1.847 3.939 308 286 B 20 LEU HDy% B 27 SER HA 1.0 1.998 5.748 309 287 B 20 LEU HDx% B 27 SER HA 1.0 1.967 7.061 310 288 B 29 VAL HB B 29 VAL HGx% 1.0 1.582 2.762 311 289 B 30 PHE HEx B 29 VAL HGx% 1.0 1.999 5.845 312 289 B 30 PHE HEy B 29 VAL HGx% 1.0 1.999 5.845 313 290 B 38 PRO HA B 38 PRO HDy 1.0 1.979 5.197 314 291 B 40 GLU HA B 40 GLU HGx 1.0 1.862 4.040 315 292 B 20 LEU HDy% B 35 HIS HA 1.0 1.900 4.310 316 293 B 35 HIS HD2 B 35 HIS HA 1.0 2.000 6.114 317 294 B 22 CYS HA B 22 CYS HBx 1.0 1.946 4.746 318 295 B 22 CYS HA B 48 CYS HBy 1.0 1.934 4.616 319 296 B 22 CYS HA B 48 CYS HA 1.0 1.748 3.412 320 297 B 36 ILE HA B 36 ILE HG2% 1.0 1.677 3.109 321 298 B 49 ILE HA B 49 ILE HD1% 1.0 1.999 6.129 322 299 B 49 ILE HB B 49 ILE HD1% 1.0 1.685 3.139 323 300 B 49 ILE HG1x B 49 ILE HD1% 1.0 1.461 2.387 324 301 B 21 PHE HBx B 49 ILE HD1% 1.0 1.780 3.564 325 302 B 21 PHE HBy B 49 ILE HD1% 1.0 1.970 5.040 326 303 B 34 CYS HA B 49 ILE HD1% 1.0 1.738 3.368 327 304 B 8 LEU HDx% B 8 LEU HA 1.0 1.983 5.285 328 305 B 30 PHE HDy B 29 VAL HGx% 1.0 1.990 6.576 329 305 B 30 PHE HDx B 29 VAL HGx% 1.0 1.990 6.576 330 306 B 20 LEU HG B 20 LEU HA 1.0 1.847 3.939 331 307 B 18 GLY HAx B 13 VAL HGx% 1.0 1.988 5.386 332 308 B 33 ASP HBx B 50 PHE HEy 1.0 1.990 5.454 333 308 B 33 ASP HBx B 50 PHE HEx 1.0 1.990 5.454 334 309 B 21 PHE HDy B 20 LEU HA 1.0 2.000 5.980 335 309 B 21 PHE HDx B 20 LEU HA 1.0 2.000 5.980 336 310 B 48 CYS HA B 48 CYS HBy 1.0 1.842 3.906 337 311 B 22 CYS HA B 48 CYS HBx 1.0 1.936 7.494 338 312 B 30 PHE HDy B 26 CYS HA 1.0 1.996 5.656 339 312 B 30 PHE HDx B 26 CYS HA 1.0 1.996 5.656 340 313 B 29 VAL HB B 26 CYS HBy 1.0 1.999 5.843 341 314 B 29 VAL HA B 29 VAL HGx% 1.0 1.617 2.879 342 315 B 29 VAL HGy% B 29 VAL HGx% 1.0 1.464 2.394 343 316 B 25 THR HA B 29 VAL HGx% 1.0 2.000 6.040 344 317 B 36 ILE HG1x B 33 ASP HA 1.0 1.986 6.698 345 318 B 30 PHE HA B 30 PHE H 1.0 1.942 4.700 346 319 B 30 PHE HBx B 30 PHE H 1.0 1.899 4.303 347 320 B 30 PHE HBy B 30 PHE H 1.0 1.976 5.142 348 321 B 29 VAL HB B 30 PHE H 1.0 1.838 3.884 349 322 B 29 VAL HGx% B 30 PHE H 1.0 2.000 5.938 350 323 B 29 VAL HGy% B 30 PHE H 1.0 2.000 5.942 351 324 B 21 PHE HDy B 21 PHE H 1.0 1.956 4.850 352 324 B 21 PHE HDx B 21 PHE H 1.0 1.956 4.850 353 325 B 35 HIS HA B 21 PHE H 1.0 1.997 5.653 354 326 B 21 PHE HA B 21 PHE H 1.0 1.925 4.529 355 327 B 20 LEU HA B 21 PHE H 1.0 1.639 2.963 356 328 B 21 PHE HBy B 21 PHE H 1.0 2.000 6.078 357 329 B 21 PHE HBx B 21 PHE H 1.0 1.773 3.531 358 330 B 20 LEU HBx B 21 PHE H 1.0 1.965 7.085 359 331 B 20 LEU HBy B 21 PHE H 1.0 1.924 4.514 360 332 B 20 LEU HDx% B 21 PHE H 1.0 1.957 7.227 361 333 B 50 PHE H B 51 CYS H 1.0 1.749 3.413 362 334 B 50 PHE H B 49 ILE H 1.0 1.821 3.787 363 335 B 50 PHE HDy B 50 PHE H 1.0 2.000 5.920 364 335 B 50 PHE HDx B 50 PHE H 1.0 2.000 5.920 365 336 B 48 CYS HA B 50 PHE H 1.0 1.993 6.455 366 337 B 50 PHE HA B 50 PHE H 1.0 1.922 4.504 367 338 B 49 ILE HA B 50 PHE H 1.0 1.984 5.302 368 339 B 50 PHE HBy B 50 PHE H 1.0 1.807 3.707 369 340 B 50 PHE HBx B 50 PHE H 1.0 1.999 6.153 370 341 B 49 ILE HB B 50 PHE H 1.0 1.979 5.197 371 342 B 49 ILE HG1x B 50 PHE H 1.0 1.998 5.762 372 343 B 49 ILE HG2% B 50 PHE H 1.0 1.992 6.516 373 344 B 35 HIS HA B 35 HIS H 1.0 1.872 4.104 374 345 B 34 CYS HA B 35 HIS H 1.0 1.944 4.714 375 346 B 35 HIS HBy B 35 HIS H 1.0 1.980 5.208 376 347 B 35 HIS HBx B 35 HIS H 1.0 1.638 2.960 377 348 B 34 CYS HBx B 35 HIS H 1.0 1.997 5.677 378 349 B 36 ILE HB B 35 HIS H 1.0 1.943 7.411 379 350 B 36 ILE HG1y B 35 HIS H 1.0 1.998 5.804 380 351 B 36 ILE HG1x B 35 HIS H 1.0 1.847 8.367 381 352 B 36 ILE HD1% B 35 HIS H 1.0 1.955 7.247 382 353 B 31 HIS H B 32 GLU H 1.0 1.866 4.066 383 354 B 30 PHE H B 31 HIS H 1.0 1.851 3.963 384 355 B 30 PHE HA B 31 HIS H 1.0 1.808 3.714 385 356 B 29 VAL HA B 31 HIS H 1.0 1.989 5.423 386 357 B 31 HIS HA B 31 HIS H 1.0 1.787 3.603 387 358 B 31 HIS HBx B 31 HIS H 1.0 1.636 2.950 388 359 B 31 HIS HBy B 31 HIS H 1.0 1.702 3.212 389 360 B 32 GLU HBx B 31 HIS H 1.0 1.956 7.232 390 361 B 30 PHE H B 29 VAL H 1.0 1.694 3.176 391 362 B 29 VAL HB B 29 VAL H 1.0 1.721 3.293 392 363 B 29 VAL HGx% B 29 VAL H 1.0 1.702 3.212 393 364 B 29 VAL HGy% B 29 VAL H 1.0 1.983 5.285 394 365 B 28 ARG H B 27 SER H 1.0 1.785 3.591 395 366 B 28 ARG HA B 28 ARG H 1.0 1.758 3.460 396 367 B 44 THR HA B 44 THR H 1.0 1.840 3.896 397 368 B 43 ARG HA B 44 THR H 1.0 1.637 2.953 398 369 B 44 THR HB B 44 THR H 1.0 1.968 5.022 399 370 B 44 THR HG2% B 44 THR H 1.0 1.833 3.853 400 371 B 44 THR H B 43 ARG HBy 1.0 1.963 4.951 401 372 B 44 THR H B 43 ARG HBx 1.0 2.000 6.060 402 373 B 7 ASN HD21 B 7 ASN HD22 1.0 1.329 2.037 403 374 B 7 ASN HBx B 7 ASN HD21 1.0 1.954 7.254 404 375 B 7 ASN HBy B 7 ASN HD22 1.0 1.872 4.102 405 376 B 47 ASN HD22 B 47 ASN HD21 1.0 1.325 2.029 406 377 B 47 ASN HBy B 47 ASN HD21 1.0 1.991 6.537 407 378 B 47 ASN HBx B 47 ASN HD21 1.0 1.961 7.147 408 379 B 44 THR HG2% B 47 ASN HD21 1.0 1.975 6.925 409 380 B 2 ALA HB% B 2 ALA H 1.0 1.986 6.692 410 381 B 2 ALA HA B 3 MET H 1.0 1.885 4.203 411 382 B 2 ALA HB% B 3 MET H 1.0 1.994 6.442 412 383 B 4 GLY H B 3 MET HA 1.0 1.809 3.723 413 384 B 5 MET HA B 5 MET H 1.0 1.809 3.717 414 385 B 5 MET HBy B 5 MET H 1.0 1.776 3.546 415 386 B 5 MET HA B 6 ARG H 1.0 1.651 3.007 416 387 B 6 ARG H B 7 ASN H 1.0 1.950 4.778 417 388 B 7 ASN H B 6 ARG HA 1.0 1.659 3.035 418 389 B 7 ASN HBx B 7 ASN H 1.0 1.868 4.074 419 390 B 7 ASN HBy B 7 ASN H 1.0 1.898 4.296 420 391 B 7 ASN H B 6 ARG HBy 1.0 1.970 5.046 421 392 B 8 LEU HA B 8 LEU H 1.0 1.754 3.444 422 393 B 7 ASN HBx B 8 LEU H 1.0 1.984 5.296 423 394 B 7 ASN HBy B 8 LEU H 1.0 1.980 5.230 424 395 B 6 ARG HBy B 8 LEU H 1.0 2.000 5.948 425 396 B 8 LEU HG B 8 LEU H 1.0 1.500 2.498 426 397 B 8 LEU HDy% B 8 LEU H 1.0 1.995 5.587 427 398 B 8 LEU HA B 9 ASP H 1.0 1.735 3.355 428 399 B 7 ASN HBx B 9 ASP H 1.0 1.996 6.372 429 400 B 9 ASP HBx B 9 ASP H 1.0 1.625 2.909 430 401 B 8 LEU HDy% B 9 ASP H 1.0 2.000 5.940 431 402 B 9 ASP H B 10 GLU H 1.0 1.708 3.234 432 403 B 9 ASP HA B 10 GLU H 1.0 1.848 3.950 433 404 B 10 GLU HA B 10 GLU H 1.0 1.809 3.719 434 405 B 10 GLU H B 10 GLU HBy 1.0 1.824 3.804 435 406 B 11 CYS HBy B 10 GLU H 1.0 2.000 5.990 436 407 B 11 CYS HBx B 10 GLU H 1.0 1.958 7.196 437 408 B 11 CYS H B 12 GLU H 1.0 1.996 5.664 438 409 B 11 CYS HA B 11 CYS H 1.0 1.814 3.744 439 410 B 10 GLU HA B 11 CYS H 1.0 1.730 3.330 440 411 B 8 LEU HA B 11 CYS H 1.0 1.975 5.137 441 412 B 11 CYS HBx B 11 CYS H 1.0 1.674 3.094 442 413 B 11 CYS HBy B 11 CYS H 1.0 1.675 3.099 443 414 B 11 CYS HA B 12 GLU H 1.0 1.588 2.780 444 415 B 11 CYS HBx B 12 GLU H 1.0 1.997 6.329 445 416 B 11 CYS HBy B 12 GLU H 1.0 1.992 6.538 446 417 B 13 VAL HB B 12 GLU H 1.0 1.949 7.323 447 418 B 13 VAL HGx% B 12 GLU H 1.0 1.993 6.485 448 419 B 12 GLU H B 13 VAL H 1.0 1.699 3.199 449 420 B 13 VAL H B 14 CYS H 1.0 1.658 3.032 450 421 B 11 CYS HA B 13 VAL H 1.0 1.950 4.784 451 422 B 12 GLU HA B 13 VAL H 1.0 1.914 4.430 452 423 B 13 VAL HA B 13 VAL H 1.0 1.784 3.588 453 424 B 11 CYS HBx B 13 VAL H 1.0 1.977 5.173 454 425 B 11 CYS HBy B 13 VAL H 1.0 1.998 6.262 455 426 B 12 GLU HBy B 13 VAL H 1.0 1.796 3.650 456 427 B 13 VAL HB B 13 VAL H 1.0 1.590 2.790 457 428 B 13 VAL HGx% B 13 VAL H 1.0 1.593 2.797 458 429 B 13 VAL HGy% B 13 VAL H 1.0 1.955 4.843 459 430 B 14 CYS H B 16 ASP H 1.0 1.998 6.226 460 431 B 16 ASP H B 18 GLY H 1.0 1.912 4.410 461 432 B 14 CYS H B 15 ARG H 1.0 1.727 3.321 462 433 B 14 CYS HA B 14 CYS H 1.0 1.842 3.910 463 434 B 12 GLU HA B 14 CYS H 1.0 1.999 5.823 464 435 B 15 ARG HA B 14 CYS H 1.0 1.953 7.279 465 436 B 13 VAL HA B 14 CYS H 1.0 1.951 4.793 466 437 B 14 CYS HBx B 14 CYS H 1.0 1.587 2.779 467 438 B 14 CYS HBy B 14 CYS H 1.0 1.972 5.080 468 439 B 13 VAL HB B 14 CYS H 1.0 1.721 6.000 469 440 B 13 VAL HGx% B 14 CYS H 1.0 1.868 4.074 470 441 B 13 VAL HGy% B 14 CYS H 1.0 1.937 4.643 471 442 B 15 ARG HA B 15 ARG H 1.0 1.748 3.414 472 443 B 14 CYS HA B 15 ARG H 1.0 1.893 4.251 473 444 B 13 VAL HA B 15 ARG H 1.0 1.983 5.285 474 445 B 14 CYS HBx B 15 ARG H 1.0 1.753 3.437 475 446 B 14 CYS HBy B 15 ARG H 1.0 1.851 3.963 476 447 B 16 ASP HBx B 15 ARG H 1.0 1.980 6.826 477 448 B 13 VAL HB B 15 ARG H 1.0 2.000 6.028 478 449 B 13 VAL HGx% B 15 ARG H 1.0 1.992 6.534 479 450 B 13 VAL HGy% B 15 ARG H 1.0 1.989 6.579 480 451 B 16 ASP H B 15 ARG H 1.0 1.717 3.273 481 452 B 16 ASP H B 17 GLY H 1.0 1.705 3.223 482 453 B 16 ASP HA B 16 ASP H 1.0 1.817 3.761 483 454 B 15 ARG HA B 16 ASP H 1.0 1.914 4.426 484 455 B 14 CYS HA B 16 ASP H 1.0 1.988 5.388 485 456 B 13 VAL HA B 16 ASP H 1.0 1.877 4.137 486 457 B 16 ASP HBy B 16 ASP H 1.0 1.946 4.732 487 458 B 16 ASP HBx B 16 ASP H 1.0 1.602 2.832 488 459 B 16 ASP H B 15 ARG HBy 1.0 1.687 3.149 489 460 B 15 ARG HGy B 16 ASP H 1.0 1.969 5.033 490 461 B 13 VAL HGy% B 16 ASP H 1.0 1.999 6.191 491 462 B 13 VAL HGx% B 16 ASP H 1.0 1.987 6.669 492 463 B 18 GLY H B 17 GLY H 1.0 1.695 3.183 493 464 B 35 HIS H B 34 CYS H 1.0 1.714 3.262 494 465 B 32 GLU H B 34 CYS H 1.0 1.845 3.933 495 466 B 16 ASP HA B 17 GLY H 1.0 1.901 4.323 496 467 B 17 GLY HAx B 17 GLY H 1.0 1.851 3.965 497 468 B 15 ARG HA B 17 GLY H 1.0 1.927 4.543 498 469 B 17 GLY HAy B 17 GLY H 1.0 1.641 2.969 499 470 B 18 GLY HAx B 17 GLY H 1.0 1.970 7.014 500 471 B 16 ASP HBy B 17 GLY H 1.0 2.000 6.048 501 472 B 16 ASP HBx B 17 GLY H 1.0 1.981 5.251 502 473 B 13 VAL HGy% B 17 GLY H 1.0 1.912 7.766 503 474 B 14 CYS HA B 18 GLY H 1.0 1.845 3.927 504 475 B 18 GLY HAy B 18 GLY H 1.0 1.797 3.653 505 476 B 17 GLY HAy B 18 GLY H 1.0 1.929 4.565 506 477 B 18 GLY HAx B 18 GLY H 1.0 1.594 2.802 507 478 B 16 ASP HBx B 18 GLY H 1.0 1.967 5.005 508 479 B 13 VAL HGy% B 18 GLY H 1.0 1.916 4.440 509 480 B 18 GLY HAy B 19 GLU H 1.0 1.557 2.679 510 481 B 18 GLY HAx B 19 GLU H 1.0 1.754 3.442 511 482 B 19 GLU HBy B 19 GLU H 1.0 1.596 2.810 512 483 B 19 GLU HBx B 19 GLU H 1.0 1.956 4.862 513 484 B 13 VAL HGy% B 19 GLU H 1.0 1.993 5.523 514 485 B 19 GLU H B 35 HIS HD1 1.0 2.000 5.838 515 486 B 20 LEU HDy% B 20 LEU H 1.0 1.966 7.084 516 487 B 20 LEU HDx% B 20 LEU H 1.0 1.999 6.127 517 488 B 20 LEU HBy B 20 LEU H 1.0 1.946 4.740 518 489 B 20 LEU HBx B 20 LEU H 1.0 1.643 2.977 519 490 B 19 GLU HBy B 20 LEU H 1.0 1.993 5.533 520 491 B 19 GLU HA B 20 LEU H 1.0 1.556 2.674 521 492 B 20 LEU HA B 20 LEU H 1.0 1.876 4.132 522 493 B 21 PHE HA B 20 LEU H 1.0 1.996 6.374 523 494 B 21 PHE H B 22 CYS H 1.0 1.906 4.364 524 495 B 22 CYS HA B 22 CYS H 1.0 1.910 4.388 525 496 B 21 PHE HA B 22 CYS H 1.0 1.882 4.170 526 497 B 20 LEU HA B 22 CYS H 1.0 2.000 6.102 527 498 B 22 CYS HBy B 22 CYS H 1.0 1.999 6.213 528 499 B 22 CYS HBx B 22 CYS H 1.0 1.795 3.643 529 500 B 20 LEU HBx B 22 CYS H 1.0 1.999 6.207 530 501 B 20 LEU HBy B 22 CYS H 1.0 1.752 3.430 531 502 B 20 LEU HDx% B 22 CYS H 1.0 1.991 6.543 532 503 B 20 LEU HDy% B 22 CYS H 1.0 1.987 6.647 533 504 B 22 CYS HA B 23 CYS H 1.0 1.800 3.672 534 505 B 23 CYS HA B 23 CYS H 1.0 1.926 4.532 535 506 B 48 CYS HA B 23 CYS H 1.0 2.000 6.026 536 507 B 22 CYS HBy B 23 CYS H 1.0 1.881 4.161 537 508 B 23 CYS HBx B 23 CYS H 1.0 2.000 6.012 538 509 B 23 CYS HBx B 24 ASP H 1.0 1.795 3.643 539 510 B 23 CYS HBy B 24 ASP H 1.0 1.998 5.752 540 511 B 25 THR H B 26 CYS H 1.0 1.731 3.337 541 512 B 24 ASP H B 25 THR H 1.0 1.816 3.760 542 513 B 25 THR HB B 25 THR H 1.0 1.640 2.966 543 514 B 25 THR HA B 25 THR H 1.0 1.762 3.476 544 515 B 23 CYS HBx B 25 THR H 1.0 1.928 4.556 545 516 B 24 ASP HBx B 25 THR H 1.0 1.770 3.516 546 517 B 25 THR HG2% B 25 THR H 1.0 1.985 5.325 547 518 B 28 ARG H B 26 CYS H 1.0 1.998 5.756 548 519 B 25 THR HB B 26 CYS H 1.0 1.731 3.337 549 520 B 26 CYS HA B 26 CYS H 1.0 1.861 4.031 550 521 B 26 CYS HBx B 26 CYS H 1.0 1.772 3.524 551 522 B 25 THR HG2% B 26 CYS H 1.0 1.990 5.450 552 523 B 27 SER H B 26 CYS H 1.0 1.785 3.591 553 524 B 27 SER HA B 27 SER H 1.0 1.815 3.753 554 525 B 27 SER HBy B 27 SER H 1.0 1.663 3.053 555 526 B 26 CYS HBy B 27 SER H 1.0 1.964 4.966 556 527 B 31 HIS HD2 B 32 GLU H 1.0 1.997 5.705 557 528 B 30 PHE HA B 32 GLU H 1.0 1.999 6.111 558 529 B 32 GLU HA B 32 GLU H 1.0 1.821 3.787 559 530 B 31 HIS HA B 32 GLU H 1.0 1.971 5.055 560 531 B 31 HIS HBx B 32 GLU H 1.0 2.000 5.942 561 532 B 31 HIS HBy B 32 GLU H 1.0 1.686 3.142 562 533 B 34 CYS HBy B 32 GLU H 1.0 2.000 5.952 563 534 B 32 GLU HBx B 32 GLU H 1.0 1.668 3.072 564 535 B 32 GLU H B 33 ASP H 1.0 1.726 3.312 565 536 B 30 PHE HA B 33 ASP H 1.0 2.000 5.896 566 537 B 33 ASP HA B 33 ASP H 1.0 1.821 3.781 567 538 B 32 GLU HA B 33 ASP H 1.0 1.955 4.839 568 539 B 34 CYS HBy B 33 ASP H 1.0 1.961 7.153 569 540 B 33 ASP HBy B 33 ASP H 1.0 1.644 2.980 570 541 B 30 PHE HBy B 33 ASP H 1.0 1.942 4.690 571 542 B 32 GLU HBx B 33 ASP H 1.0 1.713 3.255 572 543 B 50 PHE HEy B 34 CYS H 1.0 1.981 6.797 573 543 B 50 PHE HEx B 34 CYS H 1.0 1.981 6.797 574 544 B 34 CYS HA B 34 CYS H 1.0 1.837 3.875 575 545 B 33 ASP HA B 34 CYS H 1.0 1.958 4.880 576 546 B 31 HIS HA B 34 CYS H 1.0 1.960 4.904 577 547 B 34 CYS HBy B 34 CYS H 1.0 1.614 2.874 578 548 B 31 HIS HBy B 34 CYS H 1.0 1.980 6.000 579 549 B 33 ASP HBy B 34 CYS H 1.0 1.797 3.657 580 550 B 34 CYS HBx B 34 CYS H 1.0 1.974 5.124 581 551 B 35 HIS HBy B 36 ILE H 1.0 1.997 6.329 582 552 B 35 HIS HBx B 36 ILE H 1.0 1.967 5.013 583 553 B 36 ILE HB B 36 ILE H 1.0 1.673 3.093 584 554 B 36 ILE HG1y B 36 ILE H 1.0 1.713 3.255 585 555 B 36 ILE HG1x B 36 ILE H 1.0 1.970 5.050 586 556 B 36 ILE HG2% B 36 ILE H 1.0 1.979 5.195 587 557 B 39 VAL HA B 39 VAL H 1.0 1.784 3.586 588 558 B 39 VAL HB B 39 VAL H 1.0 1.684 3.136 589 559 B 39 VAL HGx% B 39 VAL H 1.0 1.700 3.202 590 560 B 40 GLU HA B 40 GLU H 1.0 1.819 3.771 591 561 B 39 VAL HA B 40 GLU H 1.0 1.638 2.956 592 562 B 40 GLU HGx B 40 GLU H 1.0 1.910 4.394 593 563 B 40 GLU HA B 41 ALA H 1.0 1.730 3.330 594 564 B 41 ALA HB% B 41 ALA H 1.0 1.746 3.404 595 565 B 39 VAL HGy% B 41 ALA H 1.0 1.980 5.220 596 566 B 41 ALA HB% B 42 GLU H 1.0 1.845 3.929 597 567 B 39 VAL HGy% B 42 GLU H 1.0 1.778 3.560 598 568 B 47 ASN HBy B 44 THR H 1.0 1.823 8.553 599 569 B 46 TRP HA B 46 TRP H 1.0 1.903 4.331 600 570 B 45 PRO HA B 46 TRP H 1.0 1.903 4.335 601 571 B 46 TRP H B 47 ASN H 1.0 1.931 4.585 602 572 B 46 TRP HA B 47 ASN H 1.0 1.826 3.816 603 573 B 47 ASN HA B 47 ASN H 1.0 1.816 3.762 604 574 B 47 ASN HBx B 47 ASN H 1.0 1.954 4.834 605 575 B 47 ASN HBy B 47 ASN H 1.0 1.934 4.612 606 576 B 48 CYS HA B 48 CYS H 1.0 1.878 4.144 607 577 B 47 ASN HA B 48 CYS H 1.0 1.753 3.439 608 578 B 47 ASN HBx B 48 CYS H 1.0 1.977 6.883 609 579 B 47 ASN HBy B 48 CYS H 1.0 1.983 6.763 610 580 B 48 CYS HBx B 48 CYS H 1.0 1.812 3.738 611 581 B 48 CYS HBy B 48 CYS H 1.0 1.863 4.043 612 582 B 48 CYS HA B 49 ILE H 1.0 1.666 3.062 613 583 B 49 ILE HA B 49 ILE H 1.0 1.857 4.005 614 584 B 48 CYS HBy B 49 ILE H 1.0 1.946 7.372 615 585 B 49 ILE HB B 49 ILE H 1.0 1.976 5.158 616 586 B 49 ILE HG1x B 49 ILE H 1.0 1.597 2.813 617 587 B 49 ILE HD1% B 49 ILE H 1.0 1.931 7.555 618 588 B 49 ILE HG2% B 49 ILE H 1.0 1.889 4.223 619 589 B 48 CYS HBy B 50 PHE H 1.0 1.990 6.582 620 590 B 51 CYS H B 52 ARG H 1.0 1.852 3.974 621 591 B 51 CYS HA B 51 CYS H 1.0 1.939 4.673 622 592 B 51 CYS HBy B 51 CYS H 1.0 1.823 3.795 623 593 B 50 PHE HBx B 51 CYS H 1.0 1.985 5.329 624 594 B 51 CYS HA B 52 ARG H 1.0 1.892 4.246 625 595 B 52 ARG HA B 52 ARG H 1.0 1.796 3.644 626 596 B 53 MET H B 53 MET HA 1.0 1.854 3.986 627 597 B 52 ARG HA B 53 MET H 1.0 1.858 4.008 628 598 B 53 MET H B 53 MET HBy 1.0 1.939 4.661 629 599 B 54 LYS H B 55 GLU H 1.0 1.937 4.649 630 600 B 53 MET H B 54 LYS H 1.0 1.787 3.603 631 601 B 53 MET HA B 54 LYS H 1.0 1.776 3.544 632 602 B 52 ARG HA B 54 LYS H 1.0 1.996 5.644 633 603 B 53 MET HGy B 54 LYS H 1.0 1.991 5.475 634 604 B 54 LYS HBx B 54 LYS H 1.0 1.775 3.541 635 605 B 54 LYS HGy B 54 LYS H 1.0 1.948 4.760 636 606 B 55 GLU HBx B 55 GLU H 1.0 1.999 5.895 637 607 B 55 GLU HBy B 55 GLU H 1.0 1.807 3.705 638 608 B 54 LYS HBx B 55 GLU H 1.0 1.942 4.690 639 609 B 55 GLU HA B 56 SER H 1.0 1.654 3.018 640 610 B 56 SER H B 56 SER HB3 1.0 1.906 4.364 641 611 B 55 GLU HBx B 56 SER H 1.0 1.991 5.451 642 612 B 55 GLU HBy B 56 SER H 1.0 1.999 6.167 643 613 B 22 CYS HBx B 23 CYS H 1.0 1.995 6.405 644 614 B 35 HIS HD2 B 32 GLU H 1.0 1.985 6.707 645 615 B 50 PHE HDy B 33 ASP H 1.0 1.899 7.895 646 615 B 50 PHE HDx B 33 ASP H 1.0 1.899 7.895 647 616 B 21 PHE H B 35 HIS HD1 1.0 1.920 7.674 648 617 B 35 HIS HD1 B 20 LEU H 1.0 1.956 7.232 649 618 B 35 HIS HD1 B 36 ILE H 1.0 1.868 8.188 650 619 B 13 VAL HA B 12 GLU H 1.0 1.920 7.682 651 620 B 22 CYS HBy B 26 CYS H 1.0 1.999 6.115 652 621 B 28 ARG HA B 31 HIS H 1.0 1.995 5.629 653 622 B 33 ASP HBy B 32 GLU H 1.0 1.975 6.921 654 623 B 50 PHE HBy B 51 CYS H 1.0 1.988 5.406 655 624 B 49 ILE HD1% B 50 PHE H 1.0 1.809 8.661 656 625 B 22 CYS HBx B 27 SER H 1.0 1.992 5.524 657 626 B 44 THR H B 43 ARG HGx 1.0 1.926 7.614 658 627 B 44 THR HG2% B 46 TRP H 1.0 1.944 7.398 659 628 B 12 GLU HA B 15 ARG H 1.0 1.796 3.648 660 629 B 34 CYS HBy B 21 PHE H 1.0 1.887 8.011 661 630 B 38 PRO HA B 39 VAL H 1.0 1.612 2.864 662 631 B 33 ASP HA B 35 HIS H 1.0 1.996 5.642 663 632 B 32 GLU HA B 35 HIS H 1.0 1.968 5.018 664 633 B 2 ALA H B 1 GLY HA3 1.0 1.906 7.832 665 634 B 45 PRO HDy B 44 THR H 1.0 1.886 8.028 666 635 B 47 ASN HBx B 44 THR H 1.0 1.920 7.686 667 636 B 44 THR HB B 46 TRP H 1.0 1.873 4.109 668 637 B 45 PRO HBx B 46 TRP H 1.0 1.967 5.005 669 638 B 47 ASN HA B 46 TRP H 1.0 1.963 6.000 670 639 B 44 THR HA B 46 TRP H 1.0 1.976 5.148 671 640 B 44 THR HG2% B 46 TRP HE1 1.0 1.999 6.095 672 641 B 47 ASN HD21 B 47 ASN H 1.0 1.432 10.830 673 642 B 49 ILE HG1x B 48 CYS H 1.0 1.894 7.952 674 643 B 41 ALA H B 42 GLU HA 1.0 1.955 7.241 675 644 B 39 VAL HA B 41 ALA H 1.0 1.893 7.961 676 645 B 42 GLU H B 42 GLU HA 1.0 1.822 3.796 677 646 B 41 ALA HA B 42 GLU H 1.0 1.840 3.900 678 647 B 39 VAL HB B 40 GLU H 1.0 1.943 4.707 679 648 B 39 VAL HGy% B 40 GLU H 1.0 1.882 4.170 680 649 B 20 LEU HDy% B 21 PHE H 1.0 1.995 5.593 681 650 B 48 CYS HBx B 49 ILE H 1.0 1.985 6.717 682 651 B 35 HIS H B 33 ASP H 1.0 1.984 5.298 683 652 B 16 ASP HBy B 18 GLY H 1.0 2.000 6.070 684 653 B 12 GLU H B 14 CYS H 1.0 1.994 5.554 685 654 B 26 CYS HBy B 23 CYS H 1.0 2.000 5.922 686 655 B 48 CYS HBy B 23 CYS H 1.0 1.823 3.801 687 656 B 23 CYS HA B 24 ASP H 1.0 1.788 3.610 688 657 B 42 GLU H B 42 GLU HGy 1.0 1.810 3.724 689 658 B 43 ARG HGy B 42 GLU H 1.0 1.993 5.543 690 659 B 43 ARG HBx B 43 ARG H 1.0 1.777 3.555 691 660 B 43 ARG HGx B 43 ARG H 1.0 1.971 5.065 692 661 B 41 ALA HB% B 43 ARG H 1.0 1.999 6.195 693 662 B 44 THR HG2% B 43 ARG H 1.0 1.971 5.065 694 663 B 27 SER HA B 30 PHE H 1.0 1.986 5.356 695 664 B 34 CYS HBy B 30 PHE H 1.0 2.000 5.950 696 665 B 29 VAL HA B 30 PHE H 1.0 1.943 4.709 697 666 B 33 ASP HA B 36 ILE H 1.0 1.979 5.205 698 667 B 36 ILE HA B 36 ILE H 1.0 1.828 3.826 699 668 B 7 ASN HD22 B 10 GLU HBy 1.0 1.999 5.905 700 669 B 43 ARG HBx B 41 ALA H 1.0 1.988 6.634 701 670 B 41 ALA H B 43 ARG HGx 1.0 1.995 5.607 702 671 B 46 TRP HZ2 B 46 TRP HE1 1.0 1.767 3.501 703 672 B 46 TRP HD1 B 46 TRP HE1 1.0 1.637 2.955 704 673 B 35 HIS HE1 B 35 HIS HD1 1.0 1.782 3.578 705 674 B 20 LEU HA B 35 HIS HD1 1.0 1.946 4.734 706 675 B 35 HIS HA B 35 HIS HD1 1.0 1.817 3.761 707 676 B 35 HIS HBy B 35 HIS HD1 1.0 1.902 4.324 708 677 B 35 HIS HBx B 35 HIS HD1 1.0 1.975 6.919 709 678 B 20 LEU HG B 35 HIS HD1 1.0 1.999 5.925 710 679 B 13 VAL HGy% B 35 HIS HD1 1.0 1.882 4.176 711 680 B 20 LEU HDy% B 35 HIS HD1 1.0 1.992 5.506 712 681 B 27 SER HBy B 31 HIS HD1 1.0 1.847 8.371 713 682 B 35 HIS H B 35 HIS HD1 1.0 1.903 7.861 714 683 B 31 HIS HE1 B 31 HIS HD1 1.0 1.959 4.893 715 684 B 20 LEU HDx% B 35 HIS HD1 1.0 1.939 7.457 716 685 B 35 HIS HD2 B 35 HIS HD1 1.0 1.955 7.249 717 686 B 35 HIS HE1 B 35 HIS HA 1.0 1.996 6.326 718 687 B 22 CYS HA B 49 ILE H 1.0 1.967 5.007 719 688 B 35 HIS HA B 36 ILE H 1.0 1.890 4.236 720 689 B 34 CYS HA B 34 CYS HBy 1.0 1.969 5.033 721 690 B 30 PHE HDy B 30 PHE H 1.0 1.996 5.642 722 690 B 30 PHE HDx B 30 PHE H 1.0 1.996 5.642 723 691 B 35 HIS HD2 B 35 HIS H 1.0 1.951 4.795 724 692 B 46 TRP HE3 B 46 TRP HBy 1.0 1.853 3.979 725 693 B 11 CYS H B 10 GLU HGx 1.0 1.985 5.307 726 694 B 47 ASN HBy B 47 ASN HD22 1.0 1.905 4.349 727 695 B 47 ASN HBx B 47 ASN HD22 1.0 1.904 4.336 728 696 B 7 ASN HBx B 7 ASN HD22 1.0 1.969 5.037 729 697 B 7 ASN HBy B 7 ASN HD21 1.0 1.998 6.232 730 698 B 12 GLU HA B 12 GLU H 1.0 1.845 3.931 731 699 B 24 ASP HA B 24 ASP H 1.0 1.907 4.363 732 700 B 32 GLU HA B 32 GLU HGy 1.0 1.791 3.621 733 701 B 20 LEU HDx% B 20 LEU HBy 1.0 1.717 3.273 734 702 B 36 ILE HG1x B 36 ILE HG2% 1.0 1.763 3.481 735 703 B 46 TRP HH2 B 46 TRP HE3 1.0 1.997 5.657 736 704 B 46 TRP HZ2 B 46 TRP HZ3 1.0 1.998 5.748 737 705 B 46 TRP HZ2 B 44 THR HG2% 1.0 1.982 5.256 738 706 B 46 TRP HH2 B 45 PRO HDy 1.0 1.905 4.349 739 707 B 21 PHE HA B 21 PHE HEy 1.0 2.000 5.850 740 707 B 21 PHE HA B 21 PHE HEx 1.0 2.000 5.850 741 708 B 21 PHE HDy B 21 PHE HA 1.0 1.922 4.506 742 708 B 21 PHE HDx B 21 PHE HA 1.0 1.922 4.506 743 709 B 46 TRP HA B 46 TRP HD1 1.0 1.999 5.829 744 710 B 46 TRP HBx B 46 TRP HD1 1.0 1.832 3.850 745 711 B 46 TRP HE3 B 45 PRO HBx 1.0 1.965 4.971 746 712 B 50 PHE HDy B 33 ASP HBy 1.0 2.000 5.890 747 712 B 50 PHE HDx B 33 ASP HBy 1.0 2.000 5.890 748 713 B 50 PHE HDy B 50 PHE HBy 1.0 1.791 3.627 749 713 B 50 PHE HDx B 50 PHE HBy 1.0 1.791 3.627 750 714 B 50 PHE HDy B 50 PHE HA 1.0 1.874 4.114 751 714 B 50 PHE HDx B 50 PHE HA 1.0 1.874 4.114 752 715 B 21 PHE HDy B 35 HIS HA 1.0 1.945 4.735 753 715 B 21 PHE HDx B 35 HIS HA 1.0 1.945 4.735 754 716 B 50 PHE HDy B 49 ILE HB 1.0 1.990 5.444 755 716 B 50 PHE HDx B 49 ILE HB 1.0 1.990 5.444 756 717 B 50 PHE HDy B 49 ILE HG1x 1.0 1.999 6.103 757 717 B 50 PHE HDx B 49 ILE HG1x 1.0 1.999 6.103 758 718 B 50 PHE HDx B 49 ILE HD1% 1.0 1.994 5.550 759 718 B 50 PHE HDy B 49 ILE HD1% 1.0 1.994 5.550 760 719 B 19 GLU HBy B 21 PHE HEy 1.0 1.958 4.884 761 719 B 19 GLU HBy B 21 PHE HEx 1.0 1.958 4.884 762 720 B 19 GLU HBx B 21 PHE HEy 1.0 1.976 5.142 763 720 B 19 GLU HBx B 21 PHE HEx 1.0 1.976 5.142 764 721 B 38 PRO HA B 38 PRO HGx 1.0 1.795 3.645 765 721 B 38 PRO HA B 38 PRO HGy 1.0 1.795 3.645 766 722 B 38 PRO HBx B 38 PRO HGx 1.0 1.491 2.473 767 722 B 38 PRO HBx B 38 PRO HGy 1.0 1.491 2.473 768 723 B 20 LEU HDy% B 20 LEU HG 1.0 1.573 2.731 769 723 B 20 LEU HDy% B 20 LEU HBy 1.0 1.573 2.731 770 724 B 20 LEU HDx% B 20 LEU HG 1.0 1.544 2.634 771 724 B 20 LEU HDx% B 20 LEU HBy 1.0 1.544 2.634 772 725 B 22 CYS HBx B 26 CYS HBx 1.0 1.998 6.296 773 725 B 26 CYS HBy B 22 CYS HBx 1.0 1.998 6.296 774 726 B 29 VAL HB B 26 CYS HA 1.0 1.748 3.412 775 726 B 29 VAL HB B 29 VAL HA 1.0 1.748 3.412 776 727 B 2 ALA HA B 3 MET HBx 1.0 1.996 5.668 777 727 B 2 ALA HA B 3 MET HBy 1.0 1.996 5.668 778 728 B 5 MET HA B 5 MET HGy 1.0 1.878 4.142 779 728 B 3 MET HA B 3 MET HGx 1.0 1.878 4.142 780 729 B 5 MET HBy B 5 MET HA 1.0 1.682 3.126 781 729 B 3 MET HA B 3 MET HBx 1.0 1.682 3.126 782 729 B 3 MET HA B 3 MET HBy 1.0 1.682 3.126 783 730 B 5 MET HBy B 5 MET HGx 1.0 1.752 3.430 784 730 B 5 MET HBx B 5 MET HGx 1.0 1.752 3.430 785 730 B 3 MET HBy B 3 MET HGy 1.0 1.752 3.430 786 731 B 5 MET HGy B 5 MET HBx 1.0 1.738 3.368 787 731 B 5 MET HBy B 5 MET HGy 1.0 1.738 3.368 788 731 B 3 MET HBx B 3 MET HGx 1.0 1.738 3.368 789 732 B 6 ARG HA B 6 ARG HBx 1.0 1.710 3.246 790 732 B 6 ARG HA B 6 ARG HBy 1.0 1.710 3.246 791 733 B 6 ARG HBy B 6 ARG HDy 1.0 1.749 3.415 792 733 B 6 ARG HBx B 6 ARG HDx 1.0 1.749 3.415 793 733 B 6 ARG HBy B 6 ARG HDx 1.0 1.749 3.415 794 734 B 8 LEU HDx% B 8 LEU HG 1.0 1.467 2.401 795 734 B 8 LEU HBx B 8 LEU HDx% 1.0 1.467 2.401 796 735 B 9 ASP HA B 9 ASP HBx 1.0 1.605 2.841 797 735 B 9 ASP HBy B 9 ASP HA 1.0 1.605 2.841 798 736 B 12 GLU HA B 15 ARG HDx 1.0 1.887 4.213 799 736 B 12 GLU HA B 15 ARG HDy 1.0 1.887 4.213 800 737 B 12 GLU HA B 12 GLU HGx 1.0 1.841 3.903 801 737 B 12 GLU HA B 12 GLU HGy 1.0 1.841 3.903 802 738 B 12 GLU HA B 12 GLU HBx 1.0 1.570 2.722 803 738 B 12 GLU HBy B 12 GLU HA 1.0 1.570 2.722 804 739 B 15 ARG HA B 15 ARG HDx 1.0 1.999 6.209 805 739 B 15 ARG HA B 15 ARG HDy 1.0 1.999 6.209 806 740 B 15 ARG HBy B 15 ARG HDx 1.0 1.666 3.064 807 740 B 15 ARG HBy B 15 ARG HDy 1.0 1.666 3.064 808 740 B 15 ARG HDx B 15 ARG HBx 1.0 1.666 3.064 809 741 B 15 ARG HA B 15 ARG HBx 1.0 1.591 2.791 810 741 B 15 ARG HA B 15 ARG HBy 1.0 1.591 2.791 811 742 B 15 ARG HGx B 15 ARG HDx 1.0 1.662 3.050 812 742 B 15 ARG HGx B 15 ARG HDy 1.0 1.662 3.050 813 743 B 15 ARG HGy B 15 ARG HDx 1.0 1.577 2.745 814 743 B 15 ARG HGy B 15 ARG HDy 1.0 1.577 2.745 815 744 B 19 GLU HBx B 19 GLU HGy 1.0 1.878 4.144 816 744 B 19 GLU HBx B 19 GLU HGx 1.0 1.878 4.144 817 745 B 32 GLU HBx B 32 GLU HA 1.0 1.625 2.911 818 745 B 32 GLU HBy B 32 GLU HA 1.0 1.625 2.911 819 746 B 32 GLU HBx B 32 GLU HGx 1.0 1.711 3.249 820 746 B 32 GLU HBx B 32 GLU HGy 1.0 1.711 3.249 821 747 B 32 GLU HBy B 32 GLU HGx 1.0 1.754 3.442 822 747 B 32 GLU HBy B 32 GLU HGy 1.0 1.754 3.442 823 748 B 32 GLU HBy B 32 GLU HGy 1.0 1.567 2.709 824 748 B 32 GLU HBx B 32 GLU HGy 1.0 1.567 2.709 825 749 B 39 VAL HA B 39 VAL HGy% 1.0 1.620 2.894 826 749 B 39 VAL HA B 39 VAL HGx% 1.0 1.620 2.894 827 750 B 25 THR HA B 28 ARG HDx 1.0 1.913 4.421 828 750 B 25 THR HA B 28 ARG HDy 1.0 1.913 4.421 829 751 B 25 THR HA B 28 ARG HBx 1.0 1.870 4.090 830 751 B 25 THR HA B 28 ARG HBy 1.0 1.870 4.090 831 752 B 27 SER HA B 27 SER HBy 1.0 1.653 3.013 832 752 B 27 SER HBx B 27 SER HA 1.0 1.653 3.013 833 753 B 27 SER HBx B 22 CYS HBx 1.0 1.881 4.171 834 753 B 22 CYS HBx B 27 SER HBy 1.0 1.881 4.171 835 754 B 28 ARG HDx B 28 ARG HBx 1.0 1.729 3.329 836 754 B 28 ARG HDy B 28 ARG HBx 1.0 1.729 3.329 837 754 B 28 ARG HDy B 28 ARG HBy 1.0 1.729 3.329 838 755 B 28 ARG HA B 28 ARG HBy 1.0 1.707 3.231 839 755 B 28 ARG HA B 28 ARG HBx 1.0 1.707 3.231 840 756 B 39 VAL HB B 39 VAL HGx% 1.0 1.500 2.500 841 756 B 39 VAL HB B 39 VAL HGy% 1.0 1.500 2.500 842 757 B 43 ARG HGy B 43 ARG HDx 1.0 1.793 3.637 843 757 B 43 ARG HGy B 43 ARG HDy 1.0 1.793 3.637 844 758 B 44 THR HA B 45 PRO HGy 1.0 1.976 6.902 845 758 B 44 THR HA B 45 PRO HGx 1.0 1.976 6.902 846 758 B 44 THR HA B 43 ARG HBy 1.0 1.976 6.902 847 759 B 51 CYS HA B 51 CYS HBx 1.0 1.801 3.677 848 759 B 51 CYS HBy B 51 CYS HA 1.0 1.801 3.677 849 760 B 51 CYS HBy B 52 ARG HA 1.0 1.908 4.370 850 760 B 51 CYS HBx B 52 ARG HA 1.0 1.908 4.370 851 761 B 52 ARG HA B 52 ARG HDx 1.0 1.997 6.291 852 761 B 52 ARG HA B 52 ARG HDy 1.0 1.997 6.291 853 762 B 52 ARG HDy B 52 ARG HBx 1.0 1.798 3.660 854 762 B 52 ARG HDx B 52 ARG HBy 1.0 1.798 3.660 855 762 B 52 ARG HDy B 52 ARG HBy 1.0 1.798 3.660 856 762 B 52 ARG HDx B 52 ARG HBx 1.0 1.798 3.660 857 763 B 52 ARG HDy B 52 ARG HGy 1.0 1.665 3.059 858 763 B 52 ARG HDx B 52 ARG HGx 1.0 1.665 3.059 859 763 B 52 ARG HDy B 52 ARG HGx 1.0 1.665 3.059 860 764 B 52 ARG HA B 52 ARG HGx 1.0 1.897 4.283 861 764 B 52 ARG HA B 52 ARG HGy 1.0 1.897 4.283 862 765 B 11 CYS HA B 10 GLU HBx 1.0 1.999 5.831 863 765 B 11 CYS HA B 10 GLU HBy 1.0 1.999 5.831 864 766 B 28 ARG HGx B 28 ARG HDy 1.0 1.649 2.997 865 766 B 28 ARG HDx B 28 ARG HGy 1.0 1.649 2.997 866 766 B 28 ARG HGx B 28 ARG HDx 1.0 1.649 2.997 867 767 B 46 TRP HA B 46 TRP HBy 1.0 1.911 4.401 868 767 B 46 TRP HA B 46 TRP HBx 1.0 1.911 4.401 869 768 B 34 CYS HA B 34 CYS HBy 1.0 1.802 3.682 870 768 B 44 THR HA B 45 PRO HDy 1.0 1.802 3.682 871 769 B 20 LEU HDx% B 27 SER HBx 1.0 1.782 3.576 872 769 B 20 LEU HDx% B 27 SER HBy 1.0 1.782 3.576 873 770 B 30 PHE HBx B 50 PHE HEy 1.0 1.985 5.323 874 770 B 30 PHE HBx B 50 PHE HEx 1.0 1.985 5.323 875 770 B 30 PHE HBx B 50 PHE HZ 1.0 1.985 5.323 876 771 B 30 PHE HBy B 50 PHE HZ 1.0 1.995 5.607 877 771 B 30 PHE HBy B 50 PHE HEy 1.0 1.995 5.607 878 771 B 30 PHE HBy B 50 PHE HEx 1.0 1.995 5.607 879 772 B 3 MET HBx B 4 GLY HAy 1.0 1.878 4.144 880 772 B 3 MET HBy B 4 GLY HAy 1.0 1.878 4.144 881 772 B 3 MET HBx B 4 GLY HAx 1.0 1.878 4.144 882 772 B 3 MET HBy B 4 GLY HAx 1.0 1.878 4.144 883 773 B 32 GLU HA B 32 GLU HGx 1.0 1.755 3.445 884 773 B 32 GLU HA B 32 GLU HGy 1.0 1.755 3.445 885 774 B 21 PHE HZ B 19 GLU HGx 1.0 1.985 6.715 886 774 B 21 PHE HZ B 19 GLU HGy 1.0 1.985 6.715 887 775 B 24 ASP HA B 24 ASP HBx 1.0 1.689 3.157 888 775 B 24 ASP HA B 24 ASP HBy 1.0 1.689 3.157 889 776 B 38 PRO HDx B 38 PRO HGy 1.0 1.688 3.150 890 776 B 38 PRO HDx B 38 PRO HGx 1.0 1.688 3.150 891 777 B 19 GLU HA B 19 GLU HGy 1.0 1.791 3.623 892 777 B 19 GLU HA B 19 GLU HGx 1.0 1.791 3.623 893 778 B 42 GLU HA B 42 GLU HGx 1.0 1.713 3.255 894 778 B 42 GLU HA B 42 GLU HGy 1.0 1.713 3.255 895 779 B 43 ARG HA B 43 ARG HDx 1.0 1.965 4.971 896 779 B 43 ARG HA B 43 ARG HDy 1.0 1.965 4.971 897 780 B 45 PRO HA B 45 PRO HGx 1.0 1.911 4.399 898 780 B 45 PRO HA B 45 PRO HGy 1.0 1.911 4.399 899 781 B 41 ALA HA B 42 GLU HGy 1.0 1.976 5.150 900 781 B 41 ALA HA B 42 GLU HGx 1.0 1.976 5.150 901 782 B 40 GLU HA B 40 GLU HBx 1.0 1.733 3.345 902 782 B 40 GLU HA B 40 GLU HBy 1.0 1.733 3.345 903 783 B 39 VAL HGx% B 40 GLU HA 1.0 1.989 5.405 904 783 B 39 VAL HGy% B 40 GLU HA 1.0 1.989 5.405 905 784 B 40 GLU HA B 40 GLU HGy 1.0 1.821 3.787 906 784 B 40 GLU HA B 40 GLU HGx 1.0 1.821 3.787 907 785 B 13 VAL HGx% B 12 GLU HGy 1.0 1.992 5.508 908 785 B 13 VAL HGx% B 12 GLU HGx 1.0 1.992 5.508 909 786 B 19 GLU HBx B 21 PHE HEy 1.0 1.972 5.084 910 786 B 19 GLU HBx B 21 PHE HEx 1.0 1.972 5.084 911 786 B 19 GLU HBx B 21 PHE HZ 1.0 1.972 5.084 912 787 B 19 GLU HBy B 21 PHE HEy 1.0 1.965 4.987 913 787 B 19 GLU HBy B 21 PHE HEx 1.0 1.965 4.987 914 787 B 21 PHE HZ B 19 GLU HBy 1.0 1.965 4.987 915 788 B 14 CYS HBx B 15 ARG HGy 1.0 2.000 5.950 916 788 B 8 LEU HBx B 14 CYS HBx 1.0 2.000 5.950 917 789 B 8 LEU HA B 8 LEU HDy% 1.0 1.755 3.445 918 789 B 8 LEU HDx% B 8 LEU HA 1.0 1.755 3.445 919 790 B 27 SER HBx B 34 CYS HBy 1.0 1.996 5.650 920 790 B 34 CYS HBy B 27 SER HBy 1.0 1.996 5.650 921 791 B 28 ARG HA B 28 ARG HGy 1.0 1.770 3.514 922 791 B 28 ARG HA B 28 ARG HGx 1.0 1.770 3.514 923 792 B 29 VAL HGx% B 28 ARG HBx 1.0 1.970 5.062 924 792 B 29 VAL HGx% B 28 ARG HBy 1.0 1.970 5.062 925 793 B 27 SER HBx B 22 CYS HBy 1.0 1.999 5.859 926 793 B 22 CYS HBy B 27 SER HBy 1.0 1.999 5.859 927 794 B 8 LEU HDy% B 6 ARG HDx 1.0 1.966 4.992 928 794 B 8 LEU HDy% B 6 ARG HDy 1.0 1.966 4.992 929 795 B 6 ARG HA B 6 ARG HDy 1.0 1.782 3.572 930 795 B 6 ARG HA B 6 ARG HDx 1.0 1.782 3.572 931 796 B 44 THR HG2% B 43 ARG HBy 1.0 1.998 5.744 932 796 B 44 THR HG2% B 45 PRO HGy 1.0 1.998 5.744 933 797 B 41 ALA HB% B 42 GLU HGx 1.0 1.804 3.692 934 797 B 41 ALA HB% B 42 GLU HGy 1.0 1.804 3.692 935 798 B 6 ARG HA B 6 ARG HGy 1.0 1.799 3.661 936 798 B 6 ARG HA B 6 ARG HGx 1.0 1.799 3.661 937 799 B 6 ARG HDy B 6 ARG HGx 1.0 1.611 2.861 938 799 B 6 ARG HDy B 6 ARG HGy 1.0 1.611 2.861 939 799 B 6 ARG HDx B 6 ARG HGx 1.0 1.611 2.861 940 800 B 49 ILE HA B 52 ARG HGy 1.0 1.944 4.716 941 800 B 49 ILE HA B 52 ARG HGx 1.0 1.944 4.716 942 801 B 49 ILE HA B 52 ARG HDy 1.0 1.969 5.039 943 801 B 49 ILE HA B 52 ARG HDx 1.0 1.969 5.039 944 802 B 39 VAL HGy% B 42 GLU HGy 1.0 1.925 4.529 945 802 B 39 VAL HGy% B 42 GLU HGx 1.0 1.925 4.529 946 803 B 26 CYS HBy B 26 CYS HA 1.0 1.733 3.341 947 803 B 26 CYS HA B 26 CYS HBx 1.0 1.733 3.341 948 804 B 29 VAL HGy% B 28 ARG HBy 1.0 1.999 5.755 949 804 B 29 VAL HGy% B 28 ARG HBx 1.0 1.999 5.755 950 805 B 25 THR HA B 28 ARG HGx 1.0 1.994 6.452 951 805 B 25 THR HA B 28 ARG HGy 1.0 1.994 6.452 952 806 B 32 GLU HGy B 31 HIS H 1.0 1.987 6.655 953 806 B 31 HIS H B 32 GLU HGx 1.0 1.987 6.655 954 807 B 26 CYS HA B 29 VAL H 1.0 1.743 3.391 955 807 B 29 VAL HA B 29 VAL H 1.0 1.743 3.391 956 808 B 28 ARG H B 28 ARG HDx 1.0 1.998 6.206 957 808 B 28 ARG H B 28 ARG HDy 1.0 1.998 6.206 958 809 B 28 ARG H B 28 ARG HGy 1.0 1.897 4.289 959 809 B 28 ARG HGx B 28 ARG H 1.0 1.897 4.289 960 810 B 28 ARG H B 28 ARG HBx 1.0 1.579 2.751 961 810 B 28 ARG H B 28 ARG HBy 1.0 1.579 2.751 962 811 B 10 GLU HBx B 7 ASN HD21 1.0 1.998 6.276 963 811 B 7 ASN HD21 B 10 GLU HBy 1.0 1.998 6.276 964 812 B 7 ASN HD22 B 10 GLU HGy 1.0 1.962 7.144 965 812 B 7 ASN HD22 B 10 GLU HGx 1.0 1.962 7.144 966 813 B 3 MET H B 3 MET HBy 1.0 1.953 4.823 967 813 B 3 MET H B 3 MET HBx 1.0 1.953 4.823 968 814 B 3 MET H B 3 MET HGy 1.0 1.993 6.487 969 814 B 3 MET H B 3 MET HGx 1.0 1.993 6.487 970 815 B 4 GLY H B 4 GLY HAx 1.0 1.764 3.488 971 815 B 4 GLY H B 4 GLY HAy 1.0 1.764 3.488 972 816 B 4 GLY H B 3 MET HBx 1.0 2.000 6.072 973 816 B 4 GLY H B 3 MET HBy 1.0 2.000 6.072 974 817 B 4 GLY H B 3 MET HGx 1.0 1.933 7.523 975 817 B 5 MET HGy B 4 GLY H 1.0 1.933 7.523 976 818 B 4 GLY H B 3 MET HGy 1.0 1.905 7.845 977 818 B 4 GLY H B 5 MET HGx 1.0 1.905 7.845 978 819 B 5 MET H B 4 GLY HAx 1.0 1.706 3.228 979 819 B 5 MET H B 4 GLY HAy 1.0 1.706 3.228 980 820 B 5 MET H B 5 MET HGx 1.0 1.936 4.628 981 820 B 5 MET HGy B 5 MET H 1.0 1.936 4.628 982 821 B 6 ARG H B 5 MET HGx 1.0 1.972 6.990 983 821 B 5 MET HGy B 6 ARG H 1.0 1.972 6.990 984 822 B 6 ARG H B 5 MET HBx 1.0 1.979 5.205 985 822 B 5 MET HBy B 6 ARG H 1.0 1.979 5.205 986 823 B 6 ARG H B 6 ARG HBx 1.0 1.739 3.373 987 823 B 6 ARG H B 6 ARG HBy 1.0 1.739 3.373 988 824 B 6 ARG H B 6 ARG HGy 1.0 1.791 3.621 989 824 B 6 ARG H B 6 ARG HGx 1.0 1.791 3.621 990 825 B 7 ASN H B 6 ARG HGy 1.0 1.961 7.167 991 825 B 7 ASN H B 6 ARG HGx 1.0 1.961 7.167 992 826 B 8 LEU HG B 9 ASP H 1.0 1.811 3.729 993 826 B 8 LEU HBy B 9 ASP H 1.0 1.811 3.729 994 826 B 8 LEU HBx B 9 ASP H 1.0 1.811 3.729 995 827 B 9 ASP HBx B 10 GLU H 1.0 1.901 4.317 996 827 B 9 ASP HBy B 10 GLU H 1.0 1.901 4.317 997 828 B 10 GLU H B 10 GLU HGy 1.0 1.755 3.445 998 828 B 10 GLU H B 10 GLU HGx 1.0 1.755 3.445 999 829 B 10 GLU HBy B 11 CYS H 1.0 1.923 4.507 1000 829 B 10 GLU HBx B 11 CYS H 1.0 1.923 4.507 1001 830 B 11 CYS H B 10 GLU HGy 1.0 1.995 5.585 1002 830 B 11 CYS H B 10 GLU HGx 1.0 1.995 5.585 1003 831 B 12 GLU H B 12 GLU HGy 1.0 1.878 4.150 1004 831 B 12 GLU H B 12 GLU HGx 1.0 1.878 4.150 1005 832 B 12 GLU HBx B 12 GLU H 1.0 1.736 3.356 1006 832 B 12 GLU HBy B 12 GLU H 1.0 1.736 3.356 1007 833 B 13 VAL H B 12 GLU HGx 1.0 1.975 6.925 1008 833 B 13 VAL H B 12 GLU HGy 1.0 1.975 6.925 1009 834 B 14 CYS H B 15 ARG H 1.0 1.604 2.836 1010 834 B 13 VAL H B 14 CYS H 1.0 1.604 2.836 1011 835 B 14 CYS H B 15 ARG HBx 1.0 1.976 6.904 1012 835 B 14 CYS H B 15 ARG HBy 1.0 1.976 6.904 1013 836 B 16 ASP H B 15 ARG HDx 1.0 1.988 5.380 1014 836 B 16 ASP H B 15 ARG HDy 1.0 1.988 5.380 1015 837 B 17 GLY H B 15 ARG HBx 1.0 1.996 6.384 1016 837 B 17 GLY H B 15 ARG HBy 1.0 1.996 6.384 1017 838 B 19 GLU H B 20 LEU H 1.0 1.952 4.800 1018 838 B 18 GLY H B 19 GLU H 1.0 1.952 4.800 1019 839 B 19 GLU H B 19 GLU HGy 1.0 1.929 4.563 1020 839 B 19 GLU H B 19 GLU HGx 1.0 1.929 4.563 1021 840 B 20 LEU H B 19 GLU HGy 1.0 1.998 6.300 1022 840 B 20 LEU H B 19 GLU HGx 1.0 1.998 6.300 1023 841 B 24 ASP HBy B 24 ASP H 1.0 1.814 3.748 1024 841 B 24 ASP HBx B 24 ASP H 1.0 1.814 3.748 1025 842 B 32 GLU H B 32 GLU HGx 1.0 1.815 3.755 1026 842 B 32 GLU HGy B 32 GLU H 1.0 1.815 3.755 1027 843 B 30 PHE HBx B 33 ASP H 1.0 1.996 6.382 1028 843 B 31 HIS HBy B 33 ASP H 1.0 1.996 6.382 1029 844 B 40 GLU H B 40 GLU HBy 1.0 1.765 3.493 1030 844 B 40 GLU H B 40 GLU HBx 1.0 1.765 3.493 1031 845 B 41 ALA H B 40 GLU HBx 1.0 1.963 4.937 1032 845 B 41 ALA H B 40 GLU HBy 1.0 1.963 4.937 1033 846 B 42 GLU H B 42 GLU HBy 1.0 1.824 3.806 1034 846 B 42 GLU H B 42 GLU HBx 1.0 1.824 3.806 1035 847 B 42 GLU HA B 43 ARG H 1.0 1.713 3.255 1036 847 B 43 ARG HA B 43 ARG H 1.0 1.713 3.255 1037 848 B 46 TRP HBx B 46 TRP H 1.0 1.904 4.344 1038 848 B 46 TRP HBy B 46 TRP H 1.0 1.904 4.344 1039 849 B 46 TRP HBy B 47 ASN H 1.0 1.978 5.174 1040 849 B 46 TRP HBx B 47 ASN H 1.0 1.978 5.174 1041 850 B 52 ARG H B 52 ARG HGy 1.0 1.792 3.630 1042 850 B 52 ARG H B 52 ARG HGx 1.0 1.792 3.630 1043 851 B 52 ARG H B 52 ARG HBy 1.0 1.814 3.750 1044 851 B 52 ARG H B 52 ARG HBx 1.0 1.814 3.750 1045 852 B 51 CYS HBy B 52 ARG H 1.0 1.826 3.818 1046 852 B 51 CYS HBx B 52 ARG H 1.0 1.826 3.818 1047 853 B 53 MET H B 53 MET HGx 1.0 1.873 4.109 1048 853 B 53 MET HGy B 53 MET H 1.0 1.873 4.109 1049 854 B 53 MET H B 52 ARG HBy 1.0 1.940 4.678 1050 854 B 53 MET H B 52 ARG HBx 1.0 1.940 4.678 1051 855 B 53 MET H B 52 ARG HGy 1.0 1.999 6.087 1052 855 B 53 MET H B 52 ARG HGx 1.0 1.999 6.087 1053 856 B 55 GLU HA B 55 GLU H 1.0 1.725 3.307 1054 856 B 54 LYS HA B 55 GLU H 1.0 1.725 3.307 1055 857 B 55 GLU H B 55 GLU HGy 1.0 1.983 5.283 1056 857 B 55 GLU HGx B 55 GLU H 1.0 1.983 5.283 1057 858 B 46 TRP HBx B 46 TRP HE1 1.0 1.916 7.732 1058 858 B 46 TRP HBy B 46 TRP HE1 1.0 1.916 7.732 1059 859 B 54 LYS HGx B 56 SER H 1.0 1.999 6.175 1060 859 B 54 LYS HGy B 56 SER H 1.0 1.999 6.175 1061 860 B 50 PHE HEy B 33 ASP H 1.0 1.881 8.067 1062 860 B 50 PHE HEx B 33 ASP H 1.0 1.881 8.067 1063 860 B 33 ASP H B 50 PHE HZ 1.0 1.881 8.067 1064 861 B 27 SER H B 28 ARG HBx 1.0 1.952 7.282 1065 861 B 27 SER H B 28 ARG HBy 1.0 1.952 7.282 1066 862 B 32 GLU HBy B 34 CYS H 1.0 1.996 6.356 1067 862 B 32 GLU HBx B 34 CYS H 1.0 1.996 6.356 1068 863 B 45 PRO HGy B 46 TRP H 1.0 1.999 5.773 1069 863 B 45 PRO HGx B 46 TRP H 1.0 1.999 5.773 1070 864 B 41 ALA H B 42 GLU HGx 1.0 1.975 6.923 1071 864 B 41 ALA H B 42 GLU HGy 1.0 1.975 6.923 1072 865 B 9 ASP HBx B 11 CYS H 1.0 1.981 6.801 1073 865 B 9 ASP HBy B 11 CYS H 1.0 1.981 6.801 1074 866 B 43 ARG H B 42 GLU HBy 1.0 1.931 4.575 1075 866 B 43 ARG H B 42 GLU HBx 1.0 1.931 4.575 1076 867 B 46 TRP HBy B 48 CYS H 1.0 1.990 6.588 1077 867 B 46 TRP HBx B 48 CYS H 1.0 1.990 6.588 1078 868 B 6 ARG H B 6 ARG HDy 1.0 1.978 6.848 1079 868 B 6 ARG H B 6 ARG HDx 1.0 1.978 6.848 1080 869 B 8 LEU HBy B 10 GLU H 1.0 1.991 6.541 1081 869 B 8 LEU HG B 10 GLU H 1.0 1.991 6.541 1082 870 B 7 ASN HD21 B 10 GLU HGx 1.0 1.988 5.410 1083 870 B 7 ASN HD21 B 10 GLU HGy 1.0 1.988 5.410 1084 871 B 21 PHE HEy B 43 ARG HDx 1.0 1.986 5.358 1085 871 B 21 PHE HEx B 43 ARG HDx 1.0 1.986 5.358 1086 871 B 21 PHE HEy B 43 ARG HDy 1.0 1.986 5.358 1087 871 B 21 PHE HEx B 43 ARG HDy 1.0 1.986 5.358 1088 872 B 21 PHE HEx B 19 GLU HGy 1.0 1.953 7.265 1089 872 B 21 PHE HEy B 19 GLU HGy 1.0 1.953 7.265 1090 872 B 21 PHE HEy B 19 GLU HGx 1.0 1.953 7.265 1091 872 B 21 PHE HEx B 19 GLU HGx 1.0 1.953 7.265 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 save_ save_CNS/XPLOR_dipolar_coupling_3 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_3 save_