data_nef_c18374_2lri save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_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 35 HIS ND1 2 1 ZN ZN 1 56 CYS SG 2 2 ZN ZN 1 27 CYS SG 2 2 ZN ZN 1 30 CYS SG 2 2 ZN ZN 1 38 CYS SG 2 1 ZN ZN 1 53 CYS SG 2 2 ZN ZN 1 18 CYS SG 2 1 ZN ZN 1 15 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 GLU middle . . 5 C 5 GLY middle . false 6 C 6 GLN middle . . 7 C 7 GLN middle . . 8 C 8 ASN middle . . 9 C 9 LEU middle . . 10 C 10 ALA middle . . 11 C 11 PRO middle . false 12 C 12 GLY middle . false 13 C 13 ALA middle . . 14 C 14 ARG middle . . 15 C 15 CYS middle -HG . 16 C 16 GLY middle . false 17 C 17 VAL middle . . 18 C 18 CYS middle -HG . 19 C 19 GLY middle . false 20 C 20 ASP middle . . 21 C 21 GLY middle . false 22 C 22 THR middle . . 23 C 23 ASP middle . . 24 C 24 VAL middle . . 25 C 25 LEU middle . . 26 C 26 ARG middle . . 27 C 27 CYS middle -HG . 28 C 28 THR middle . . 29 C 29 HIS middle . . 30 C 30 CYS middle -HG . 31 C 31 ALA middle . . 32 C 32 ALA middle . . 33 C 33 ALA middle . . 34 C 34 PHE middle . . 35 C 35 HIS middle -HD1 . 36 C 36 TRP middle . . 37 C 37 ARG middle . . 38 C 38 CYS middle -HG . 39 C 39 HIS middle . . 40 C 40 PHE middle . . 41 C 41 PRO middle . false 42 C 42 ALA middle . . 43 C 43 GLY middle . false 44 C 44 THR middle . . 45 C 45 SER middle . . 46 C 46 ARG middle . . 47 C 47 PRO middle . false 48 C 48 GLY middle . false 49 C 49 THR middle . . 50 C 50 GLY middle . false 51 C 51 LEU middle . . 52 C 52 ARG middle . . 53 C 53 CYS middle -HG . 54 C 54 ARG middle . . 55 C 55 SER middle . . 56 C 56 CYS middle -HG . 57 C 57 SER middle . . 58 C 58 GLY middle . false 59 C 59 ASP middle . . 60 C 60 VAL middle . . 61 C 61 THR middle . . 62 C 62 PRO middle . false 63 C 63 ALA middle . . 64 C 64 PRO middle . false 65 C 65 VAL middle . . 66 C 66 GLU end . . 67 A 1 ZN . . . 68 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 CA C 13 43.361 0.000 C 2 ALA H H 1 8.653 0.000 C 2 ALA HA H 1 4.298 0.001 C 2 ALA HB% H 1 1.352 0.006 C 2 ALA CA C 13 52.710 0.046 C 2 ALA CB C 13 19.235 0.035 C 2 ALA N N 15 123.688 0.000 C 3 MET H H 1 8.545 0.000 C 3 MET HA H 1 4.426 0.002 C 3 MET HBx H 1 1.964 0.005 C 3 MET HBy H 1 2.040 0.004 C 3 MET HGx H 1 2.507 0.013 C 3 MET HGy H 1 2.557 0.011 C 3 MET CA C 13 55.430 0.074 C 3 MET CB C 13 32.532 0.209 C 3 MET CG C 13 32.030 0.010 C 3 MET N N 15 119.289 0.000 C 4 GLU H H 1 8.440 0.000 C 4 GLU HA H 1 4.244 0.001 C 4 GLU HBx H 1 1.930 0.002 C 4 GLU HBy H 1 2.008 0.003 C 4 GLU HG2 H 1 2.228 0.001 C 4 GLU HG3 H 1 2.228 0.001 C 4 GLU CA C 13 57.031 0.054 C 4 GLU CB C 13 30.006 0.012 C 4 GLU CG C 13 36.216 0.020 C 4 GLU N N 15 122.149 0.000 C 5 GLY H H 1 8.500 0.000 C 5 GLY HA3 H 1 3.958 0.000 C 5 GLY CA C 13 45.408 0.000 C 5 GLY N N 15 110.051 0.000 C 6 GLN H H 1 8.242 0.000 C 6 GLN HA H 1 4.286 0.012 C 6 GLN HBx H 1 1.925 0.039 C 6 GLN HBy H 1 2.081 0.008 C 6 GLN HG2 H 1 2.309 0.007 C 6 GLN HG3 H 1 2.309 0.007 C 6 GLN CA C 13 56.000 0.148 C 6 GLN CB C 13 29.208 0.032 C 6 GLN CG C 13 33.759 0.081 C 6 GLN N N 15 119.509 0.000 C 7 GLN H H 1 8.534 0.000 C 7 GLN HA H 1 4.261 0.004 C 7 GLN HBx H 1 2.017 0.077 C 7 GLN HBy H 1 2.051 0.009 C 7 GLN HG2 H 1 2.319 0.007 C 7 GLN HG3 H 1 2.319 0.007 C 7 GLN CA C 13 56.104 0.120 C 7 GLN CB C 13 29.204 0.014 C 7 GLN CG C 13 33.740 0.001 C 7 GLN N N 15 121.049 0.000 C 8 ASN H H 1 8.486 0.000 C 8 ASN HA H 1 4.645 0.002 C 8 ASN HBx H 1 2.704 0.031 C 8 ASN HBy H 1 2.781 0.015 C 8 ASN CA C 13 53.107 0.026 C 8 ASN CB C 13 38.519 0.046 C 8 ASN N N 15 119.289 0.000 C 9 LEU H H 1 8.145 0.001 C 9 LEU HA H 1 4.291 0.003 C 9 LEU HBx H 1 1.492 0.017 C 9 LEU HBy H 1 1.554 0.017 C 9 LEU HDx% H 1 0.838 0.014 C 9 LEU HDy% H 1 0.797 0.006 C 9 LEU HG H 1 1.539 0.011 C 9 LEU CA C 13 54.716 0.053 C 9 LEU CB C 13 42.397 0.047 C 9 LEU CDy C 13 24.953 0.040 C 9 LEU CDx C 13 23.174 0.047 C 9 LEU CG C 13 26.820 0.060 C 9 LEU N N 15 122.204 0.000 C 10 ALA H H 1 8.324 0.000 C 10 ALA HA H 1 4.532 0.011 C 10 ALA HB% H 1 1.301 0.003 C 10 ALA CA C 13 50.337 0.086 C 10 ALA CB C 13 17.793 0.023 C 10 ALA N N 15 126.188 0.000 C 11 PRO HA H 1 4.364 0.007 C 11 PRO HBx H 1 1.900 0.031 C 11 PRO HBy H 1 2.261 0.018 C 11 PRO HDx H 1 3.642 0.033 C 11 PRO HDy H 1 3.746 0.016 C 11 PRO HG2 H 1 1.970 0.016 C 11 PRO HG3 H 1 1.970 0.016 C 11 PRO CA C 13 63.908 0.099 C 11 PRO CB C 13 31.869 0.033 C 11 PRO CD C 13 50.491 0.051 C 11 PRO CG C 13 27.494 0.004 C 12 GLY H H 1 8.501 0.001 C 12 GLY HA2 H 1 3.888 0.000 C 12 GLY HA3 H 1 3.888 0.000 C 12 GLY CA C 13 45.221 0.000 C 12 GLY N N 15 108.951 0.000 C 13 ALA H H 1 7.957 0.000 C 13 ALA HA H 1 4.234 0.021 C 13 ALA HB% H 1 1.265 0.007 C 13 ALA CA C 13 52.109 0.093 C 13 ALA CB C 13 19.525 0.032 C 13 ALA N N 15 123.134 0.000 C 14 ARG H H 1 7.990 0.001 C 14 ARG HA H 1 4.119 0.013 C 14 ARG HBx H 1 1.258 0.020 C 14 ARG HBy H 1 1.367 0.025 C 14 ARG HDx H 1 3.063 0.014 C 14 ARG HDy H 1 3.069 0.013 C 14 ARG HGx H 1 1.273 0.016 C 14 ARG HGy H 1 1.441 0.002 C 14 ARG CA C 13 53.810 0.095 C 14 ARG CB C 13 32.453 0.030 C 14 ARG CD C 13 43.002 0.031 C 14 ARG CG C 13 27.179 0.143 C 14 ARG N N 15 116.759 0.000 C 15 CYS H H 1 7.646 0.000 C 15 CYS HA H 1 4.017 0.021 C 15 CYS HBx H 1 2.009 0.004 C 15 CYS HBy H 1 3.509 0.009 C 15 CYS CA C 13 59.110 0.113 C 15 CYS CB C 13 31.057 0.052 C 15 CYS N N 15 123.688 0.000 C 16 GLY H H 1 8.916 0.001 C 16 GLY HAy H 1 4.038 0.000 C 16 GLY HAx H 1 4.033 0.000 C 16 GLY CA C 13 46.785 0.037 C 16 GLY N N 15 117.749 0.000 C 17 VAL H H 1 8.856 0.000 C 17 VAL HA H 1 4.014 0.002 C 17 VAL HB H 1 2.177 0.004 C 17 VAL HGx% H 1 1.002 0.007 C 17 VAL HGy% H 1 0.999 0.017 C 17 VAL CA C 13 65.031 0.161 C 17 VAL CB C 13 32.840 0.092 C 17 VAL CGx C 13 20.476 0.069 C 17 VAL CGy C 13 22.122 0.095 C 17 VAL N N 15 122.602 0.000 C 18 CYS H H 1 7.758 0.001 C 18 CYS HA H 1 4.926 0.003 C 18 CYS HBy H 1 3.268 0.006 C 18 CYS HBx H 1 2.998 0.008 C 18 CYS CA C 13 58.179 0.063 C 18 CYS CB C 13 31.611 0.040 C 18 CYS N N 15 115.430 0.000 C 19 GLY H H 1 8.029 0.000 C 19 GLY HAy H 1 4.212 0.019 C 19 GLY HAx H 1 3.832 0.003 C 19 GLY CA C 13 46.357 0.096 C 19 GLY N N 15 113.040 0.000 C 20 ASP H H 1 8.722 0.000 C 20 ASP HA H 1 5.007 0.004 C 20 ASP HBy H 1 3.109 0.003 C 20 ASP HBx H 1 2.773 0.005 C 20 ASP CA C 13 53.514 0.095 C 20 ASP CB C 13 44.542 0.057 C 20 ASP N N 15 123.399 0.000 C 21 GLY H H 1 8.667 0.001 C 21 GLY HAy H 1 4.505 0.010 C 21 GLY HAx H 1 3.618 0.008 C 21 GLY CA C 13 45.107 0.078 C 21 GLY N N 15 111.371 0.000 C 22 THR H H 1 8.784 0.000 C 22 THR HA H 1 3.979 0.003 C 22 THR HB H 1 4.355 0.003 C 22 THR HG2% H 1 1.184 0.005 C 22 THR CA C 13 64.367 0.053 C 22 THR CB C 13 67.783 0.305 C 22 THR CG2 C 13 21.642 0.073 C 22 THR N N 15 118.220 0.000 C 23 ASP H H 1 9.376 0.001 C 23 ASP HA H 1 4.301 0.002 C 23 ASP HBy H 1 2.969 0.008 C 23 ASP HBx H 1 2.635 0.012 C 23 ASP CA C 13 55.427 0.133 C 23 ASP CB C 13 39.039 0.121 C 23 ASP N N 15 127.251 0.000 C 24 VAL H H 1 7.402 0.005 C 24 VAL HA H 1 3.560 0.035 C 24 VAL HB H 1 1.744 0.008 C 24 VAL HGx% H 1 0.581 0.016 C 24 VAL HGy% H 1 0.283 0.007 C 24 VAL CA C 13 61.716 0.089 C 24 VAL CB C 13 32.292 0.071 C 24 VAL CGx C 13 19.253 0.033 C 24 VAL CGy C 13 22.778 0.055 C 24 VAL N N 15 111.371 0.000 C 25 LEU H H 1 8.328 0.002 C 25 LEU HA H 1 4.339 0.004 C 25 LEU HBx H 1 0.585 0.012 C 25 LEU HBy H 1 0.902 0.048 C 25 LEU HDx% H 1 0.679 0.046 C 25 LEU HDy% H 1 0.684 0.043 C 25 LEU HG H 1 1.609 0.016 C 25 LEU CA C 13 52.522 0.026 C 25 LEU CB C 13 42.442 0.058 C 25 LEU CDx C 13 21.772 0.044 C 25 LEU CDy C 13 21.772 0.044 C 25 LEU CG C 13 26.850 0.078 C 25 LEU N N 15 123.908 0.000 C 26 ARG H H 1 7.877 0.000 C 26 ARG HA H 1 5.101 0.009 C 26 ARG HBy H 1 1.521 0.024 C 26 ARG HBx H 1 1.492 0.015 C 26 ARG HD2 H 1 3.036 0.004 C 26 ARG HD3 H 1 3.036 0.004 C 26 ARG HGx H 1 1.341 0.010 C 26 ARG HGy H 1 1.474 0.019 C 26 ARG CA C 13 52.655 0.188 C 26 ARG CB C 13 31.668 0.157 C 26 ARG CD C 13 42.379 0.113 C 26 ARG CG C 13 26.672 0.105 C 26 ARG N N 15 116.626 0.001 C 27 CYS H H 1 9.182 0.002 C 27 CYS HA H 1 4.315 0.010 C 27 CYS HBy H 1 3.470 0.009 C 27 CYS HBx H 1 2.848 0.016 C 27 CYS CA C 13 60.398 0.073 C 27 CYS CB C 13 30.667 0.102 C 27 CYS N N 15 126.328 0.000 C 28 THR H H 1 8.956 0.001 C 28 THR HA H 1 4.166 0.028 C 28 THR HB H 1 4.418 0.002 C 28 THR HG2% H 1 1.524 0.008 C 28 THR CA C 13 64.686 0.133 C 28 THR CB C 13 69.846 0.229 C 28 THR CG2 C 13 22.446 0.046 C 28 THR N N 15 122.470 0.000 C 29 HIS H H 1 9.464 0.000 C 29 HIS HA H 1 4.909 0.004 C 29 HIS HBy H 1 3.881 0.011 C 29 HIS HBx H 1 3.042 0.013 C 29 HIS HD2 H 1 7.580 0.022 C 29 HIS HE1 H 1 8.192 0.015 C 29 HIS CA C 13 58.104 0.058 C 29 HIS CB C 13 30.545 0.087 C 29 HIS CD2 C 13 120.220 0.017 C 29 HIS CE1 C 13 137.193 0.000 C 29 HIS N N 15 123.908 0.000 C 30 CYS H H 1 8.710 0.001 C 30 CYS HA H 1 4.811 0.006 C 30 CYS HBy H 1 3.227 0.005 C 30 CYS HBx H 1 2.547 0.006 C 30 CYS CA C 13 59.090 0.201 C 30 CYS CB C 13 32.898 0.052 C 30 CYS N N 15 119.946 0.000 C 31 ALA H H 1 7.626 0.001 C 31 ALA HA H 1 4.284 0.020 C 31 ALA HB% H 1 1.531 0.019 C 31 ALA CA C 13 54.490 0.077 C 31 ALA CB C 13 17.418 0.040 C 31 ALA N N 15 120.477 0.000 C 32 ALA H H 1 9.152 0.000 C 32 ALA HA H 1 4.246 0.020 C 32 ALA HB% H 1 1.495 0.006 C 32 ALA CA C 13 53.840 0.114 C 32 ALA CB C 13 20.334 0.044 C 32 ALA N N 15 125.524 0.000 C 33 ALA H H 1 8.490 0.001 C 33 ALA HA H 1 5.410 0.005 C 33 ALA HB% H 1 1.020 0.015 C 33 ALA CA C 13 49.806 0.084 C 33 ALA CB C 13 19.628 0.036 C 33 ALA N N 15 123.257 0.009 C 34 PHE H H 1 8.948 0.000 C 34 PHE HA H 1 5.074 0.011 C 34 PHE HBx H 1 1.829 0.008 C 34 PHE HBy H 1 2.678 0.014 C 34 PHE HDx H 1 6.728 0.014 C 34 PHE HDy H 1 6.728 0.014 C 34 PHE HEx H 1 6.990 0.006 C 34 PHE HEy H 1 6.990 0.006 C 34 PHE HZ H 1 6.991 0.008 C 34 PHE CA C 13 55.762 0.153 C 34 PHE CB C 13 39.222 0.083 C 34 PHE CDx C 13 132.320 0.078 C 34 PHE CDy C 13 132.320 0.078 C 34 PHE CEx C 13 129.460 0.167 C 34 PHE CEy C 13 129.460 0.167 C 34 PHE CZ C 13 129.460 0.185 C 34 PHE N N 15 118.220 0.000 C 35 HIS H H 1 7.932 0.002 C 35 HIS HA H 1 4.886 0.031 C 35 HIS HBy H 1 3.929 0.020 C 35 HIS HBx H 1 3.428 0.032 C 35 HIS HD2 H 1 7.239 0.009 C 35 HIS HE1 H 1 7.587 0.004 C 35 HIS HE2 H 1 11.564 0.000 C 35 HIS CA C 13 56.138 0.063 C 35 HIS CB C 13 32.023 0.044 C 35 HIS CD2 C 13 118.386 0.085 C 35 HIS CE1 C 13 138.793 0.003 C 35 HIS N N 15 116.759 0.000 C 35 HIS NE2 N 15 105.359 0.000 C 36 TRP H H 1 9.421 0.001 C 36 TRP HA H 1 4.438 0.013 C 36 TRP HBx H 1 3.390 0.023 C 36 TRP HBy H 1 3.405 0.013 C 36 TRP HD1 H 1 7.195 0.012 C 36 TRP HE1 H 1 9.873 0.000 C 36 TRP HE3 H 1 7.517 0.007 C 36 TRP HH2 H 1 6.786 0.012 C 36 TRP HZ2 H 1 6.874 0.023 C 36 TRP HZ3 H 1 7.168 0.049 C 36 TRP CA C 13 62.373 0.083 C 36 TRP CB C 13 29.324 0.038 C 36 TRP CD1 C 13 126.371 0.039 C 36 TRP CE3 C 13 119.203 0.031 C 36 TRP CH2 C 13 124.997 0.000 C 36 TRP CZ2 C 13 114.857 0.000 C 36 TRP CZ3 C 13 122.931 0.074 C 36 TRP N N 15 127.649 0.000 C 36 TRP NE1 N 15 128.950 0.000 C 37 ARG H H 1 9.075 0.001 C 37 ARG HA H 1 4.404 0.005 C 37 ARG HBx H 1 1.954 0.032 C 37 ARG HBy H 1 1.971 0.029 C 37 ARG HDx H 1 3.264 0.011 C 37 ARG HDy H 1 3.264 0.011 C 37 ARG HGx H 1 1.835 0.069 C 37 ARG HGy H 1 1.908 0.033 C 37 ARG CA C 13 57.473 0.197 C 37 ARG CB C 13 29.167 0.140 C 37 ARG CD C 13 42.952 0.111 C 37 ARG CG C 13 27.649 0.088 C 37 ARG N N 15 113.040 0.000 C 38 CYS H H 1 7.169 0.001 C 38 CYS HA H 1 4.218 0.007 C 38 CYS HBy H 1 3.242 0.012 C 38 CYS HBx H 1 2.970 0.010 C 38 CYS CA C 13 62.459 0.149 C 38 CYS CB C 13 29.676 0.049 C 38 CYS N N 15 116.493 0.000 C 39 HIS H H 1 7.562 0.002 C 39 HIS HA H 1 4.223 0.004 C 39 HIS HBy H 1 2.634 0.021 C 39 HIS HBx H 1 1.894 0.017 C 39 HIS HD2 H 1 6.682 0.024 C 39 HIS HE1 H 1 7.531 0.011 C 39 HIS CA C 13 58.476 0.103 C 39 HIS CB C 13 35.340 0.057 C 39 HIS CD2 C 13 113.363 0.000 C 39 HIS CE1 C 13 137.445 0.044 C 39 HIS N N 15 118.220 0.000 C 40 PHE H H 1 8.282 0.000 C 40 PHE HA H 1 4.783 0.014 C 40 PHE HBx H 1 1.632 0.009 C 40 PHE HBy H 1 2.625 0.009 C 40 PHE HDx H 1 6.432 0.012 C 40 PHE HDy H 1 6.432 0.012 C 40 PHE HEx H 1 7.066 0.017 C 40 PHE HEy H 1 7.066 0.017 C 40 PHE HZ H 1 6.820 0.020 C 40 PHE CA C 13 52.659 0.000 C 40 PHE CB C 13 38.807 0.020 C 40 PHE CDx C 13 132.013 0.000 C 40 PHE CDy C 13 132.013 0.000 C 40 PHE CEx C 13 130.516 0.000 C 40 PHE CEy C 13 130.516 0.000 C 40 PHE CZ C 13 128.503 0.072 C 40 PHE N N 15 117.157 0.000 C 41 PRO HA H 1 4.487 0.020 C 41 PRO HBx H 1 1.970 0.005 C 41 PRO HBy H 1 2.353 0.004 C 41 PRO HDy H 1 3.623 0.035 C 41 PRO HDx H 1 3.494 0.031 C 41 PRO HGx H 1 1.961 0.010 C 41 PRO HGy H 1 1.962 0.010 C 41 PRO CA C 13 63.219 0.121 C 41 PRO CB C 13 32.215 0.067 C 41 PRO CD C 13 50.446 0.118 C 41 PRO CG C 13 27.100 0.078 C 42 ALA H H 1 8.635 0.001 C 42 ALA HA H 1 4.358 0.008 C 42 ALA HB% H 1 1.416 0.007 C 42 ALA CA C 13 53.013 0.019 C 42 ALA CB C 13 18.641 0.059 C 42 ALA N N 15 123.001 0.000 C 43 GLY H H 1 8.529 0.000 C 43 GLY HAx H 1 3.929 0.000 C 43 GLY HAy H 1 4.237 0.000 C 43 GLY CA C 13 45.466 0.000 C 43 GLY N N 15 108.291 0.000 C 44 THR H H 1 7.971 0.000 C 44 THR HA H 1 4.424 0.007 C 44 THR HB H 1 4.425 0.004 C 44 THR HG2% H 1 1.248 0.012 C 44 THR CA C 13 62.074 0.120 C 44 THR CB C 13 70.259 0.099 C 44 THR CG2 C 13 21.640 0.062 C 44 THR N N 15 113.961 0.000 C 45 SER H H 1 8.644 0.000 C 45 SER HA H 1 4.280 0.011 C 45 SER HBy H 1 3.671 0.005 C 45 SER HBx H 1 3.655 0.021 C 45 SER CA C 13 58.274 0.213 C 45 SER CB C 13 63.906 0.110 C 45 SER N N 15 120.467 0.007 C 46 ARG H H 1 8.197 0.000 C 46 ARG HA H 1 3.920 0.012 C 46 ARG HBx H 1 1.079 0.028 C 46 ARG HBy H 1 1.275 0.004 C 46 ARG HD2 H 1 2.719 0.002 C 46 ARG HD3 H 1 2.719 0.002 C 46 ARG HG2 H 1 0.989 0.017 C 46 ARG HG3 H 1 0.989 0.017 C 46 ARG CA C 13 53.152 0.018 C 46 ARG CB C 13 29.902 0.178 C 46 ARG CD C 13 43.832 0.000 C 46 ARG CG C 13 25.635 0.044 C 46 ARG N N 15 124.196 0.000 C 47 PRO HA H 1 4.298 0.009 C 47 PRO HBx H 1 1.943 0.014 C 47 PRO HBy H 1 2.115 0.008 C 47 PRO HDy H 1 3.557 0.007 C 47 PRO HDx H 1 3.326 0.006 C 47 PRO HGx H 1 1.904 0.018 C 47 PRO HGy H 1 1.904 0.018 C 47 PRO CA C 13 62.818 0.236 C 47 PRO CB C 13 32.186 0.061 C 47 PRO CD C 13 50.736 0.087 C 47 PRO CG C 13 26.925 0.070 C 48 GLY H H 1 8.492 0.000 C 48 GLY HA2 H 1 3.888 0.000 C 48 GLY HA3 H 1 3.888 0.000 C 48 GLY CA C 13 45.679 0.000 C 48 GLY N N 15 108.071 0.000 C 49 THR H H 1 7.669 0.000 C 49 THR HA H 1 4.377 0.003 C 49 THR HB H 1 4.205 0.009 C 49 THR HG2% H 1 1.103 0.017 C 49 THR CA C 13 60.690 0.072 C 49 THR CB C 13 70.332 0.088 C 49 THR CG2 C 13 21.013 0.141 C 49 THR N N 15 111.151 0.000 C 50 GLY H H 1 8.459 0.001 C 50 GLY HAx H 1 3.892 0.011 C 50 GLY HAy H 1 3.896 0.017 C 50 GLY CA C 13 46.181 0.107 C 50 GLY N N 15 110.491 0.000 C 51 LEU H H 1 8.248 0.000 C 51 LEU HA H 1 4.282 0.013 C 51 LEU HBx H 1 1.784 0.007 C 51 LEU HBy H 1 1.817 0.029 C 51 LEU HDx% H 1 0.953 0.014 C 51 LEU HDy% H 1 1.024 0.029 C 51 LEU HG H 1 1.749 0.020 C 51 LEU CA C 13 56.368 0.069 C 51 LEU CB C 13 42.819 0.082 C 51 LEU CDx C 13 25.580 0.221 C 51 LEU CDy C 13 25.899 0.067 C 51 LEU CG C 13 27.318 0.051 C 51 LEU N N 15 121.407 0.000 C 52 ARG H H 1 8.639 0.000 C 52 ARG HA H 1 5.847 0.005 C 52 ARG HBx H 1 1.737 0.006 C 52 ARG HBy H 1 1.737 0.006 C 52 ARG HDx H 1 2.979 0.007 C 52 ARG HDy H 1 2.979 0.007 C 52 ARG HGx H 1 1.488 0.017 C 52 ARG HGy H 1 1.744 0.011 C 52 ARG CA C 13 54.131 0.028 C 52 ARG CB C 13 34.985 0.106 C 52 ARG CD C 13 43.540 0.079 C 52 ARG CG C 13 28.125 0.088 C 52 ARG N N 15 124.997 0.007 C 53 CYS H H 1 8.933 0.001 C 53 CYS HA H 1 3.493 0.010 C 53 CYS HBy H 1 2.927 0.008 C 53 CYS HBx H 1 2.016 0.007 C 53 CYS CA C 13 57.204 0.061 C 53 CYS CB C 13 30.779 0.104 C 53 CYS N N 15 120.743 0.000 C 54 ARG H H 1 10.380 0.000 C 54 ARG HA H 1 3.810 0.006 C 54 ARG HBx H 1 1.133 0.055 C 54 ARG HBy H 1 1.282 0.039 C 54 ARG HDx H 1 2.465 0.016 C 54 ARG HDy H 1 2.775 0.015 C 54 ARG HGy H 1 1.183 0.025 C 54 ARG HGx H 1 1.168 0.017 C 54 ARG CA C 13 59.387 0.145 C 54 ARG CB C 13 28.883 0.190 C 54 ARG CD C 13 43.319 0.036 C 54 ARG CG C 13 26.060 0.128 C 54 ARG N N 15 121.407 0.000 C 55 SER H H 1 8.228 0.003 C 55 SER HA H 1 4.258 0.003 C 55 SER HB2 H 1 3.896 0.016 C 55 SER HB3 H 1 3.896 0.016 C 55 SER CA C 13 61.216 0.029 C 55 SER CB C 13 62.830 0.129 C 55 SER N N 15 117.300 0.010 C 56 CYS H H 1 7.999 0.000 C 56 CYS HA H 1 4.186 0.009 C 56 CYS HBy H 1 2.959 0.018 C 56 CYS HBx H 1 2.753 0.008 C 56 CYS CA C 13 61.242 0.033 C 56 CYS CB C 13 29.916 0.107 C 56 CYS N N 15 122.602 0.000 C 57 SER H H 1 7.938 0.000 C 57 SER HA H 1 4.266 0.019 C 57 SER HBy H 1 3.988 0.011 C 57 SER HBx H 1 3.987 0.011 C 57 SER CA C 13 59.992 0.256 C 57 SER CB C 13 63.492 0.179 C 57 SER N N 15 115.430 0.000 C 58 GLY H H 1 8.013 0.000 C 58 GLY HAx H 1 3.888 0.015 C 58 GLY HAy H 1 3.958 0.000 C 58 GLY CA C 13 45.426 0.000 C 58 GLY N N 15 109.391 0.000 C 59 ASP H H 1 8.130 0.000 C 59 ASP HA H 1 4.591 0.003 C 59 ASP HBx H 1 2.530 0.040 C 59 ASP HBy H 1 2.632 0.020 C 59 ASP CA C 13 54.292 0.078 C 59 ASP CB C 13 41.083 0.033 C 59 ASP N N 15 120.345 0.000 C 60 VAL H H 1 8.072 0.001 C 60 VAL HA H 1 4.158 0.007 C 60 VAL HB H 1 2.062 0.004 C 60 VAL HGx% H 1 0.857 0.010 C 60 VAL HGy% H 1 0.854 0.014 C 60 VAL CA C 13 61.915 0.021 C 60 VAL CB C 13 32.515 0.087 C 60 VAL CGy C 13 20.966 0.218 C 60 VAL CGx C 13 20.149 0.001 C 60 VAL N N 15 119.548 0.000 C 61 THR H H 1 8.335 0.000 C 61 THR HA H 1 4.509 0.021 C 61 THR HB H 1 4.058 0.001 C 61 THR HG2% H 1 1.197 0.011 C 61 THR CA C 13 59.848 0.045 C 61 THR CB C 13 69.602 0.096 C 61 THR CG2 C 13 21.300 0.141 C 61 THR N N 15 121.407 0.000 C 62 PRO HA H 1 4.362 0.006 C 62 PRO HBx H 1 1.900 0.031 C 62 PRO HBy H 1 2.252 0.012 C 62 PRO HDy H 1 3.826 0.032 C 62 PRO HDx H 1 3.651 0.028 C 62 PRO HG2 H 1 1.968 0.015 C 62 PRO HG3 H 1 1.968 0.015 C 62 PRO CA C 13 62.903 0.158 C 62 PRO CB C 13 31.949 0.097 C 62 PRO CD C 13 51.074 0.091 C 62 PRO CG C 13 27.310 0.024 C 63 ALA H H 1 8.368 0.001 C 63 ALA HA H 1 4.538 0.004 C 63 ALA HB% H 1 1.283 0.020 C 63 ALA CA C 13 50.268 0.023 C 63 ALA CB C 13 17.700 0.000 C 63 ALA N N 15 125.923 0.000 C 64 PRO HA H 1 4.410 0.018 C 64 PRO HBx H 1 1.894 0.022 C 64 PRO HBy H 1 2.258 0.017 C 64 PRO HDx H 1 3.624 0.033 C 64 PRO HDy H 1 3.756 0.028 C 64 PRO HG2 H 1 1.977 0.004 C 64 PRO HG3 H 1 1.977 0.004 C 64 PRO CA C 13 62.897 0.143 C 64 PRO CB C 13 31.924 0.075 C 64 PRO CD C 13 50.359 0.085 C 64 PRO CG C 13 27.296 0.035 C 65 VAL H H 1 8.270 0.000 C 65 VAL HA H 1 4.073 0.003 C 65 VAL HB H 1 2.048 0.006 C 65 VAL HGx% H 1 0.914 0.006 C 65 VAL HGy% H 1 0.910 0.005 C 65 VAL CA C 13 62.326 0.182 C 65 VAL CB C 13 32.080 0.070 C 65 VAL CGy C 13 21.010 0.152 C 65 VAL CGx C 13 20.273 0.052 C 65 VAL N N 15 120.526 0.028 C 66 GLU H H 1 7.981 0.001 C 66 GLU HA H 1 4.104 0.002 C 66 GLU HBx H 1 1.833 0.001 C 66 GLU HBy H 1 1.979 0.002 C 66 GLU HG2 H 1 2.132 0.002 C 66 GLU HG3 H 1 2.132 0.002 C 66 GLU CA C 13 57.840 0.000 C 66 GLU CB C 13 31.130 0.000 C 66 GLU CG C 13 36.550 0.000 C 66 GLU N N 15 129.243 0.000 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 27 CYS H C 32 ALA O 1.0 1.73 2.7 2 2 C 25 LEU H C 34 PHE O 1.0 1.73 2.7 3 3 C 34 PHE H C 25 LEU O 1.0 1.73 2.7 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _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 41 PRO HBx C 41 PRO HA 1.0 1.601 2.823 2 2 C 34 PHE HBx C 34 PHE HDy 1.0 1.809 3.721 3 2 C 34 PHE HDx C 34 PHE HBx 1.0 1.809 3.721 4 3 C 34 PHE HDy C 34 PHE HBy 1.0 1.846 3.934 5 3 C 34 PHE HDx C 34 PHE HBy 1.0 1.846 3.934 6 4 C 34 PHE HDy C 34 PHE HA 1.0 1.998 5.774 7 4 C 34 PHE HDx C 34 PHE HA 1.0 1.998 5.774 8 5 C 40 PHE HBy C 40 PHE HBx 1.0 1.483 2.451 9 6 C 40 PHE HZ C 40 PHE HEx 1.0 1.773 3.531 10 6 C 40 PHE HEy C 40 PHE HZ 1.0 1.773 3.531 11 7 C 40 PHE HA C 40 PHE HDx 1.0 1.996 5.646 12 7 C 40 PHE HA C 40 PHE HDy 1.0 1.996 5.646 13 8 C 34 PHE HBx C 34 PHE HA 1.0 1.733 3.343 14 9 C 34 PHE HBy C 34 PHE HA 1.0 1.746 3.406 15 10 C 40 PHE HBy C 40 PHE HA 1.0 1.869 4.087 16 11 C 40 PHE HBx C 40 PHE HA 1.0 1.914 4.430 17 12 C 40 PHE HBx C 40 PHE HDx 1.0 1.910 4.394 18 12 C 40 PHE HBx C 40 PHE HDy 1.0 1.910 4.394 19 13 C 15 CYS HBy C 35 HIS HE1 1.0 1.958 4.888 20 14 C 35 HIS HA C 35 HIS HBx 1.0 1.830 3.838 21 15 C 39 HIS HE1 C 53 CYS HBy 1.0 1.759 3.463 22 16 C 39 HIS HE1 C 53 CYS HA 1.0 1.999 5.777 23 17 C 40 PHE HEx C 39 HIS HBx 1.0 1.987 5.359 24 17 C 40 PHE HEy C 39 HIS HBx 1.0 1.987 5.359 25 18 C 39 HIS HBx C 39 HIS HD2 1.0 1.956 4.854 26 19 C 40 PHE HDx C 39 HIS HBx 1.0 1.996 5.642 27 19 C 40 PHE HDy C 39 HIS HBx 1.0 1.996 5.642 28 20 C 29 HIS HBy C 29 HIS HD2 1.0 1.994 6.438 29 21 C 39 HIS HBx C 39 HIS HBy 1.0 1.509 2.525 30 22 C 29 HIS HD2 C 29 HIS HBx 1.0 1.963 4.955 31 23 C 34 PHE HDy C 53 CYS HA 1.0 2.000 6.024 32 23 C 34 PHE HDx C 53 CYS HA 1.0 2.000 6.024 33 24 C 34 PHE HDy C 53 CYS HBy 1.0 1.999 6.183 34 24 C 34 PHE HDx C 53 CYS HBy 1.0 1.999 6.183 35 25 C 41 PRO HBx C 41 PRO HBy 1.0 1.320 2.016 36 26 C 34 PHE HBx C 34 PHE HEx 1.0 2.000 6.026 37 26 C 34 PHE HBx C 34 PHE HEy 1.0 2.000 6.026 38 27 C 36 TRP HA C 36 TRP HD1 1.0 1.949 4.771 39 28 C 36 TRP HH2 C 36 TRP HZ3 1.0 1.778 3.560 40 29 C 36 TRP HZ3 C 51 LEU HA 1.0 1.999 5.771 41 30 C 36 TRP HZ3 C 36 TRP HBx 1.0 1.992 6.528 42 31 C 36 TRP HBx C 36 TRP HE3 1.0 1.777 3.553 43 32 C 36 TRP HE3 C 25 LEU HBx 1.0 1.874 6.000 44 33 C 34 PHE HBx C 39 HIS HD2 1.0 2.000 6.044 45 34 C 8 ASN HBy C 8 ASN HA 1.0 1.824 3.802 46 35 C 8 ASN HA C 8 ASN HBx 1.0 1.841 3.905 47 36 C 9 LEU HA C 9 LEU HBy 1.0 1.801 3.673 48 37 C 9 LEU HA C 9 LEU HBx 1.0 1.855 3.989 49 38 C 40 PHE HEx C 54 ARG HGx 1.0 1.952 7.286 50 38 C 40 PHE HEy C 54 ARG HGx 1.0 1.952 7.286 51 39 C 9 LEU HBx C 9 LEU HDy% 1.0 1.813 3.741 52 40 C 9 LEU HA C 9 LEU HDy% 1.0 1.909 4.383 53 41 C 9 LEU HA C 9 LEU HDx% 1.0 1.619 2.889 54 42 C 45 SER HA C 36 TRP HZ2 1.0 1.984 5.294 55 43 C 11 PRO HBx C 11 PRO HA 1.0 1.671 3.085 56 44 C 21 GLY HAx C 14 ARG HA 1.0 1.808 3.714 57 45 C 10 ALA HA C 10 ALA HB% 1.0 1.466 2.400 58 46 C 10 ALA HB% C 11 PRO HDy 1.0 1.765 3.491 59 47 C 14 ARG HA C 14 ARG HBx 1.0 1.830 3.834 60 48 C 14 ARG HA C 14 ARG HBy 1.0 1.940 4.674 61 49 C 14 ARG HA C 14 ARG HGy 1.0 1.863 4.041 62 50 C 15 CYS HBy C 15 CYS HA 1.0 1.743 3.391 63 51 C 15 CYS HA C 24 VAL HGy% 1.0 1.990 5.440 64 52 C 34 PHE HA C 15 CYS HA 1.0 1.765 3.495 65 53 C 15 CYS HBy C 15 CYS HBx 1.0 1.378 2.160 66 54 C 15 CYS HA C 15 CYS HBx 1.0 1.922 4.494 67 55 C 24 VAL HGy% C 15 CYS HBx 1.0 1.977 5.165 68 56 C 15 CYS HBy C 24 VAL HGy% 1.0 1.835 3.865 69 57 C 34 PHE HA C 15 CYS HBy 1.0 1.830 3.836 70 58 C 17 VAL HB C 17 VAL HA 1.0 1.804 3.690 71 59 C 18 CYS HBy C 18 CYS HA 1.0 1.669 3.079 72 60 C 18 CYS HA C 18 CYS HBx 1.0 1.617 2.885 73 61 C 18 CYS HA C 17 VAL HGx% 1.0 1.874 4.118 74 62 C 18 CYS HBx C 17 VAL HGx% 1.0 1.979 5.193 75 63 C 18 CYS HBy C 17 VAL HGx% 1.0 1.999 5.809 76 64 C 19 GLY HAy C 19 GLY HAx 1.0 1.444 2.338 77 65 C 35 HIS HE1 C 20 ASP HA 1.0 1.926 7.618 78 66 C 20 ASP HA C 20 ASP HBx 1.0 1.821 3.783 79 67 C 20 ASP HA C 20 ASP HBy 1.0 1.654 3.020 80 68 C 14 ARG HGy C 20 ASP HA 1.0 1.955 4.845 81 69 C 20 ASP HBx C 20 ASP HBy 1.0 1.405 2.231 82 70 C 35 HIS HE1 C 20 ASP HBy 1.0 1.994 5.548 83 71 C 35 HIS HE1 C 20 ASP HBx 1.0 1.700 3.200 84 72 C 21 GLY HAx C 21 GLY HAy 1.0 1.386 2.182 85 73 C 14 ARG HBx C 21 GLY HAy 1.0 1.963 4.955 86 74 C 21 GLY HAy C 24 VAL HGx% 1.0 1.992 5.502 87 75 C 24 VAL HGy% C 21 GLY HAy 1.0 1.995 5.583 88 76 C 22 THR HA C 22 THR HB 1.0 1.844 3.918 89 77 C 22 THR HB C 22 THR HG2% 1.0 1.493 2.477 90 78 C 22 THR HG2% C 23 ASP HBx 1.0 1.999 5.861 91 79 C 23 ASP HBy C 23 ASP HA 1.0 1.836 3.874 92 80 C 23 ASP HBx C 23 ASP HBy 1.0 1.434 2.310 93 81 C 35 HIS HA C 24 VAL HA 1.0 1.995 5.603 94 82 C 24 VAL HA C 24 VAL HB 1.0 1.638 2.956 95 83 C 24 VAL HGx% C 24 VAL HB 1.0 1.556 2.672 96 84 C 24 VAL HGx% C 24 VAL HA 1.0 1.789 3.611 97 85 C 14 ARG HA C 24 VAL HGx% 1.0 1.908 4.372 98 86 C 21 GLY HAx C 24 VAL HGx% 1.0 1.869 4.079 99 87 C 24 VAL HGx% C 33 ALA HA 1.0 1.978 5.194 100 88 C 24 VAL HGy% C 33 ALA HB% 1.0 1.568 2.716 101 89 C 24 VAL HGy% C 24 VAL HB 1.0 1.500 2.502 102 90 C 24 VAL HGy% C 24 VAL HA 1.0 1.508 2.522 103 91 C 14 ARG HA C 24 VAL HGy% 1.0 1.828 3.828 104 92 C 21 GLY HAx C 24 VAL HGy% 1.0 1.607 2.849 105 93 C 34 PHE HA C 24 VAL HGy% 1.0 1.931 4.581 106 94 C 24 VAL HGy% C 33 ALA HA 1.0 1.975 5.131 107 95 C 24 VAL HGy% C 24 VAL HGx% 1.0 1.629 2.925 108 96 C 25 LEU HBx C 25 LEU HA 1.0 1.761 3.475 109 97 C 25 LEU HA C 25 LEU HG 1.0 1.950 4.794 110 98 C 35 HIS HA C 25 LEU HG 1.0 1.978 5.194 111 99 C 34 PHE HDy C 26 ARG HA 1.0 1.992 6.520 112 99 C 34 PHE HDx C 26 ARG HA 1.0 1.992 6.520 113 100 C 33 ALA HB% C 26 ARG HA 1.0 1.998 6.260 114 101 C 27 CYS HA C 26 ARG HBx 1.0 1.999 5.835 115 102 C 26 ARG HA C 26 ARG HBx 1.0 1.877 4.139 116 103 C 26 ARG HA C 26 ARG HBy 1.0 1.841 3.903 117 104 C 27 CYS HA C 26 ARG HBy 1.0 2.000 6.032 118 105 C 26 ARG HA C 26 ARG HGy 1.0 1.944 4.716 119 106 C 26 ARG HA C 26 ARG HGx 1.0 1.924 4.516 120 107 C 27 CYS HA C 52 ARG HA 1.0 1.788 3.608 121 108 C 27 CYS HA C 27 CYS HBy 1.0 1.692 3.170 122 109 C 27 CYS HA C 27 CYS HBx 1.0 1.856 3.998 123 110 C 27 CYS HBy C 27 CYS HBx 1.0 1.415 2.257 124 111 C 27 CYS HBx C 32 ALA HB% 1.0 1.940 4.676 125 112 C 27 CYS HBy C 53 CYS HBx 1.0 1.700 3.200 126 113 C 34 PHE HEx C 27 CYS HBx 1.0 1.978 6.864 127 113 C 34 PHE HEy C 27 CYS HBx 1.0 1.978 6.864 128 114 C 34 PHE HDy C 27 CYS HBx 1.0 1.940 7.446 129 114 C 34 PHE HDx C 27 CYS HBx 1.0 1.940 7.446 130 115 C 52 ARG HA C 27 CYS HBx 1.0 1.980 6.810 131 116 C 28 THR HA C 28 THR HG2% 1.0 1.613 2.871 132 117 C 28 THR HA C 28 THR HB 1.0 1.778 3.560 133 118 C 28 THR HG2% C 28 THR HB 1.0 1.484 2.450 134 119 C 29 HIS HBx C 29 HIS HA 1.0 1.933 4.601 135 120 C 30 CYS HBy C 30 CYS HA 1.0 1.874 4.120 136 121 C 30 CYS HBy C 30 CYS HBx 1.0 1.535 2.609 137 122 C 31 ALA HA C 31 ALA HB% 1.0 1.464 2.396 138 123 C 33 ALA HA C 26 ARG HA 1.0 1.790 3.616 139 124 C 24 VAL HB C 33 ALA HA 1.0 1.982 5.258 140 125 C 33 ALA HA C 32 ALA HB% 1.0 1.928 4.554 141 126 C 33 ALA HB% C 13 ALA HA 1.0 1.792 3.628 142 127 C 34 PHE HA C 15 CYS HBx 1.0 1.790 8.804 143 128 C 34 PHE HA C 33 ALA HB% 1.0 1.993 5.549 144 129 C 34 PHE HBy C 15 CYS HA 1.0 2.000 5.972 145 130 C 35 HIS HA C 35 HIS HBy 1.0 1.817 3.763 146 131 C 35 HIS HA C 24 VAL HGy% 1.0 1.960 7.182 147 132 C 35 HIS HBx C 35 HIS HBy 1.0 1.411 2.249 148 133 C 40 PHE HBx C 36 TRP HA 1.0 1.926 4.538 149 134 C 44 THR HA C 44 THR HG2% 1.0 1.615 2.875 150 135 C 40 PHE HDx C 36 TRP HA 1.0 1.942 4.694 151 135 C 40 PHE HDy C 36 TRP HA 1.0 1.942 4.694 152 136 C 34 PHE HDy C 36 TRP HA 1.0 1.951 4.791 153 136 C 34 PHE HDx C 36 TRP HA 1.0 1.951 4.791 154 137 C 34 PHE HEx C 36 TRP HA 1.0 1.853 3.981 155 137 C 34 PHE HEy C 36 TRP HA 1.0 1.853 3.981 156 138 C 36 TRP HA C 36 TRP HE3 1.0 1.801 3.671 157 139 C 35 HIS HBx C 37 ARG HGx 1.0 1.945 4.731 158 140 C 35 HIS HBx C 37 ARG HGy 1.0 1.965 7.089 159 141 C 38 CYS HBy C 38 CYS HA 1.0 1.864 4.050 160 142 C 38 CYS HA C 38 CYS HBx 1.0 1.683 3.131 161 143 C 39 HIS HBy C 38 CYS HA 1.0 1.983 6.775 162 144 C 39 HIS HD2 C 38 CYS HA 1.0 1.962 7.136 163 145 C 39 HIS HD2 C 38 CYS HBy 1.0 1.814 3.746 164 146 C 39 HIS HD2 C 38 CYS HBx 1.0 1.935 4.625 165 147 C 35 HIS HBx C 38 CYS HBy 1.0 2.000 5.852 166 148 C 38 CYS HBy C 38 CYS HBx 1.0 1.420 2.272 167 149 C 17 VAL HB C 38 CYS HBy 1.0 1.966 4.986 168 150 C 17 VAL HB C 38 CYS HBx 1.0 1.537 2.613 169 151 C 54 ARG HBy C 39 HIS HA 1.0 1.994 5.576 170 152 C 39 HIS HD2 C 39 HIS HBy 1.0 1.924 4.516 171 153 C 40 PHE HEx C 39 HIS HBy 1.0 1.977 6.883 172 153 C 40 PHE HEy C 39 HIS HBy 1.0 1.977 6.883 173 154 C 39 HIS HBy C 54 ARG HBy 1.0 2.000 5.944 174 155 C 39 HIS HBx C 54 ARG HBy 1.0 1.983 5.275 175 156 C 63 ALA HA C 64 PRO HDy 1.0 1.554 2.670 176 157 C 40 PHE HBx C 41 PRO HDy 1.0 1.905 7.839 177 158 C 40 PHE HBx C 41 PRO HDx 1.0 1.946 7.368 178 159 C 41 PRO HBx C 41 PRO HDy 1.0 1.981 5.231 179 160 C 40 PHE HA C 41 PRO HDy 1.0 1.670 3.082 180 161 C 40 PHE HA C 41 PRO HDx 1.0 1.752 3.428 181 162 C 41 PRO HBy C 42 ALA HA 1.0 1.988 6.610 182 163 C 42 ALA HA C 42 ALA HB% 1.0 1.470 2.414 183 164 C 44 THR HG2% C 45 SER HBy 1.0 1.997 5.743 184 165 C 36 TRP HZ2 C 44 THR HG2% 1.0 1.720 3.284 185 166 C 40 PHE HDx C 44 THR HG2% 1.0 1.971 5.055 186 166 C 40 PHE HDy C 44 THR HG2% 1.0 1.971 5.055 187 167 C 36 TRP HZ2 C 46 ARG HA 1.0 1.911 4.409 188 168 C 44 THR HG2% C 46 ARG HA 1.0 1.921 4.485 189 169 C 46 ARG HA C 46 ARG HBx 1.0 1.735 3.351 190 170 C 46 ARG HBx C 47 PRO HDy 1.0 1.984 6.738 191 171 C 47 PRO HDy C 46 ARG HBy 1.0 1.975 5.127 192 172 C 46 ARG HA C 47 PRO HDy 1.0 1.595 2.805 193 173 C 46 ARG HA C 47 PRO HDx 1.0 1.593 2.801 194 174 C 47 PRO HDy C 47 PRO HA 1.0 1.985 5.335 195 175 C 47 PRO HDx C 47 PRO HA 1.0 2.000 5.962 196 176 C 47 PRO HDy C 51 LEU HDy% 1.0 1.647 2.989 197 177 C 36 TRP HD1 C 47 PRO HDy 1.0 1.990 6.574 198 178 C 36 TRP HZ3 C 47 PRO HDx 1.0 1.994 6.440 199 179 C 36 TRP HH2 C 47 PRO HDy 1.0 1.954 4.844 200 180 C 36 TRP HH2 C 47 PRO HDx 1.0 1.887 4.211 201 181 C 49 THR HG2% C 49 THR HA 1.0 1.676 3.102 202 182 C 49 THR HG2% C 49 THR HB 1.0 1.520 2.562 203 183 C 51 LEU HA C 51 LEU HBy 1.0 1.803 3.685 204 184 C 51 LEU HA C 51 LEU HBx 1.0 1.708 3.234 205 185 C 51 LEU HA C 51 LEU HDx% 1.0 1.659 3.035 206 186 C 51 LEU HA C 51 LEU HDy% 1.0 1.661 3.045 207 187 C 47 PRO HDy C 51 LEU HDx% 1.0 1.869 4.081 208 188 C 51 LEU HDy% C 51 LEU HBx 1.0 1.631 2.935 209 189 C 52 ARG HA C 52 ARG HGy 1.0 1.839 3.887 210 190 C 52 ARG HA C 52 ARG HGx 1.0 1.791 3.621 211 191 C 53 CYS HA C 34 PHE HZ 1.0 1.834 3.860 212 192 C 53 CYS HA C 53 CYS HBx 1.0 1.813 3.741 213 193 C 53 CYS HBy C 53 CYS HBx 1.0 1.472 2.416 214 194 C 53 CYS HBy C 53 CYS HA 1.0 1.694 3.178 215 195 C 39 HIS HE1 C 53 CYS HBx 1.0 1.991 5.471 216 196 C 40 PHE HEx C 54 ARG HA 1.0 1.959 4.891 217 196 C 40 PHE HEy C 54 ARG HA 1.0 1.959 4.891 218 197 C 40 PHE HZ C 54 ARG HA 1.0 1.839 3.891 219 198 C 40 PHE HDx C 54 ARG HA 1.0 1.903 7.853 220 198 C 40 PHE HDy C 54 ARG HA 1.0 1.903 7.853 221 199 C 54 ARG HA C 54 ARG HDx 1.0 1.999 5.825 222 200 C 54 ARG HA C 54 ARG HDy 1.0 1.990 5.452 223 201 C 54 ARG HDy C 54 ARG HBx 1.0 1.999 6.213 224 202 C 54 ARG HBy C 54 ARG HDy 1.0 1.996 5.640 225 203 C 54 ARG HDx C 54 ARG HBx 1.0 1.819 3.775 226 204 C 54 ARG HA C 54 ARG HBx 1.0 1.854 3.988 227 205 C 54 ARG HBy C 54 ARG HA 1.0 1.712 3.254 228 206 C 40 PHE HEx C 54 ARG HBx 1.0 1.815 8.615 229 206 C 40 PHE HEy C 54 ARG HBx 1.0 1.815 8.615 230 207 C 40 PHE HEx C 54 ARG HBy 1.0 1.990 6.578 231 207 C 40 PHE HEy C 54 ARG HBy 1.0 1.990 6.578 232 208 C 54 ARG HDx C 54 ARG HDy 1.0 1.362 2.120 233 209 C 54 ARG HGx C 54 ARG HDy 1.0 1.779 3.557 234 210 C 54 ARG HGx C 54 ARG HDx 1.0 1.867 4.069 235 211 C 56 CYS HA C 56 CYS HBx 1.0 1.784 3.588 236 212 C 56 CYS HA C 56 CYS HBy 1.0 1.854 3.980 237 213 C 52 ARG HGx C 56 CYS HBy 1.0 1.762 3.476 238 214 C 52 ARG HGx C 56 CYS HBx 1.0 1.830 3.834 239 215 C 52 ARG HDx C 57 SER HBy 1.0 1.999 5.819 240 216 C 59 ASP HBx C 59 ASP HA 1.0 1.854 3.986 241 217 C 59 ASP HA C 59 ASP HBy 1.0 1.765 3.495 242 218 C 60 VAL HA C 60 VAL HB 1.0 1.797 3.657 243 219 C 60 VAL HB C 60 VAL HGy% 1.0 1.546 2.644 244 220 C 60 VAL HA C 60 VAL HGy% 1.0 1.692 3.172 245 221 C 61 THR HA C 62 PRO HDx 1.0 1.616 2.880 246 222 C 61 THR HA C 62 PRO HBy 1.0 1.962 7.142 247 223 C 61 THR HA C 61 THR HG2% 1.0 1.772 3.528 248 224 C 61 THR HG2% C 61 THR HB 1.0 1.659 3.037 249 225 C 62 PRO HBx C 62 PRO HA 1.0 1.627 2.919 250 226 C 62 PRO HBy C 62 PRO HA 1.0 1.646 2.988 251 227 C 62 PRO HDx C 61 THR HG2% 1.0 1.995 5.607 252 228 C 64 PRO HA C 64 PRO HBy 1.0 1.753 3.437 253 229 C 64 PRO HA C 64 PRO HBx 1.0 1.831 3.841 254 230 C 65 VAL HB C 65 VAL HA 1.0 1.846 3.938 255 231 C 65 VAL HA C 65 VAL HGy% 1.0 1.878 4.146 256 232 C 65 VAL HB C 65 VAL HGx% 1.0 1.821 3.789 257 233 C 51 LEU HBy C 51 LEU HDx% 1.0 1.608 2.850 258 234 C 36 TRP HZ3 C 51 LEU HDy% 1.0 1.825 3.809 259 235 C 33 ALA HA C 33 ALA HB% 1.0 1.513 2.539 260 236 C 40 PHE HZ C 54 ARG HBy 1.0 2.000 5.956 261 237 C 35 HIS HE1 C 15 CYS HBx 1.0 1.870 4.086 262 238 C 23 ASP HBx C 23 ASP HA 1.0 1.635 2.947 263 239 C 9 LEU HA C 9 LEU HG 1.0 1.945 4.735 264 240 C 40 PHE HDx C 41 PRO HDx 1.0 1.997 6.285 265 240 C 40 PHE HDy C 41 PRO HDx 1.0 1.997 6.285 266 241 C 13 ALA HA C 13 ALA HB% 1.0 1.538 2.618 267 242 C 16 GLY HAy C 17 VAL HGy% 1.0 1.996 6.340 268 243 C 39 HIS HD2 C 17 VAL HB 1.0 1.999 5.823 269 244 C 24 VAL HB C 33 ALA HB% 1.0 1.842 3.912 270 245 C 32 ALA HB% C 32 ALA HA 1.0 1.505 2.513 271 246 C 27 CYS HBy C 32 ALA HB% 1.0 1.776 3.546 272 247 C 40 PHE HDx C 41 PRO HDy 1.0 1.949 7.331 273 247 C 40 PHE HDy C 41 PRO HDy 1.0 1.949 7.331 274 248 C 52 ARG HGy C 52 ARG HGx 1.0 1.611 2.859 275 249 C 54 ARG HDy C 54 ARG HGy 1.0 1.848 3.946 276 250 C 54 ARG HDx C 54 ARG HGy 1.0 1.844 3.924 277 251 C 52 ARG HA C 57 SER HA 1.0 1.939 7.465 278 252 C 22 THR HG2% C 23 ASP HBy 1.0 1.695 3.181 279 253 C 52 ARG HA C 56 CYS HBx 1.0 1.999 6.233 280 254 C 47 PRO HA C 47 PRO HBx 1.0 1.586 2.774 281 255 C 25 LEU HA C 25 LEU HBy 1.0 1.833 3.853 282 256 C 25 LEU HG C 25 LEU HBy 1.0 1.913 4.415 283 257 C 25 LEU HBx C 25 LEU HG 1.0 1.886 4.208 284 258 C 17 VAL HB C 17 VAL HGx% 1.0 1.465 2.399 285 259 C 17 VAL HA C 17 VAL HGx% 1.0 1.604 2.838 286 260 C 39 HIS HD2 C 17 VAL HGy% 1.0 1.756 3.452 287 261 C 25 LEU H C 24 VAL HGy% 1.0 1.828 3.828 288 262 C 28 THR HG2% C 51 LEU H 1.0 1.828 3.830 289 263 C 28 THR HG2% C 28 THR H 1.0 1.662 3.050 290 264 C 51 LEU HDx% C 52 ARG H 1.0 1.865 4.059 291 265 C 37 ARG H C 36 TRP HBy 1.0 1.746 3.404 292 266 C 27 CYS H C 27 CYS HBx 1.0 1.721 3.291 293 267 C 27 CYS H C 27 CYS HBy 1.0 1.667 3.071 294 268 C 27 CYS HBy C 28 THR H 1.0 1.972 5.070 295 269 C 15 CYS HBy C 16 GLY H 1.0 1.999 5.793 296 270 C 25 LEU H C 25 LEU HBy 1.0 1.985 5.315 297 271 C 51 LEU HBx C 51 LEU H 1.0 1.789 3.609 298 272 C 34 PHE H C 33 ALA HA 1.0 1.639 2.963 299 273 C 13 ALA HA C 13 ALA H 1.0 1.680 3.120 300 274 C 27 CYS H C 26 ARG HA 1.0 1.652 3.014 301 275 C 32 ALA HA C 32 ALA H 1.0 1.763 3.483 302 276 C 32 ALA HA C 33 ALA H 1.0 1.575 2.737 303 277 C 20 ASP HA C 21 GLY H 1.0 1.625 2.909 304 278 C 52 ARG HA C 53 CYS H 1.0 1.607 2.849 305 279 C 31 ALA HA C 31 ALA H 1.0 1.619 2.889 306 280 C 25 LEU H C 24 VAL HA 1.0 1.544 2.634 307 281 C 65 VAL HA C 66 GLU H 1.0 1.719 3.279 308 282 C 33 ALA HB% C 33 ALA H 1.0 1.748 3.412 309 283 C 32 ALA HB% C 33 ALA H 1.0 1.932 4.594 310 284 C 54 ARG HA C 54 ARG H 1.0 1.772 3.528 311 285 C 54 ARG HA C 55 SER H 1.0 1.944 4.716 312 286 C 55 SER H C 55 SER HA 1.0 1.826 3.816 313 287 C 57 SER HA C 57 SER H 1.0 1.732 3.342 314 288 C 56 CYS HA C 56 CYS H 1.0 1.779 3.561 315 289 C 28 THR HA C 28 THR H 1.0 1.782 3.572 316 290 C 28 THR HA C 29 HIS H 1.0 1.908 4.374 317 291 C 28 THR HB C 28 THR H 1.0 1.953 4.823 318 292 C 55 SER H C 55 SER HB2 1.0 1.689 3.157 319 293 C 40 PHE HA C 39 HIS HBx 1.0 1.999 5.815 320 294 C 40 PHE HEx C 41 PRO HDy 1.0 1.941 7.441 321 294 C 40 PHE HEy C 41 PRO HDy 1.0 1.941 7.441 322 295 C 40 PHE HEx C 40 PHE HDx 1.0 1.937 4.637 323 295 C 40 PHE HEx C 40 PHE HDy 1.0 1.937 4.637 324 295 C 40 PHE HEy C 40 PHE HDx 1.0 1.937 4.637 325 295 C 40 PHE HEy C 40 PHE HDy 1.0 1.937 4.637 326 296 C 40 PHE HZ C 40 PHE HDx 1.0 1.989 6.595 327 296 C 40 PHE HZ C 40 PHE HDy 1.0 1.989 6.595 328 297 C 40 PHE HDx C 34 PHE HEx 1.0 1.957 4.865 329 297 C 40 PHE HDy C 34 PHE HEx 1.0 1.957 4.865 330 297 C 40 PHE HDx C 34 PHE HEy 1.0 1.957 4.865 331 297 C 40 PHE HDy C 34 PHE HEy 1.0 1.957 4.865 332 298 C 40 PHE HEx C 36 TRP HE3 1.0 1.962 7.128 333 298 C 40 PHE HEy C 36 TRP HE3 1.0 1.962 7.128 334 299 C 35 HIS HA C 35 HIS HD2 1.0 1.734 3.348 335 300 C 34 PHE HDy C 40 PHE HDy 1.0 1.841 8.417 336 300 C 34 PHE HDy C 40 PHE HDx 1.0 1.841 8.417 337 300 C 34 PHE HDx C 40 PHE HDx 1.0 1.841 8.417 338 300 C 34 PHE HDx C 40 PHE HDy 1.0 1.841 8.417 339 301 C 40 PHE HDx C 36 TRP HD1 1.0 1.943 7.415 340 301 C 40 PHE HDy C 36 TRP HD1 1.0 1.943 7.415 341 302 C 40 PHE HDx C 36 TRP HE3 1.0 1.971 6.997 342 302 C 40 PHE HDy C 36 TRP HE3 1.0 1.971 6.997 343 303 C 40 PHE HBy C 40 PHE HEx 1.0 1.946 7.380 344 303 C 40 PHE HBy C 40 PHE HEy 1.0 1.946 7.380 345 304 C 40 PHE HBx C 40 PHE HEx 1.0 1.998 6.210 346 304 C 40 PHE HBx C 40 PHE HEy 1.0 1.998 6.210 347 305 C 36 TRP HD1 C 46 ARG HA 1.0 1.987 6.657 348 306 C 36 TRP HD1 C 37 ARG HGy 1.0 1.913 4.423 349 307 C 36 TRP HD1 C 37 ARG HGx 1.0 1.976 5.144 350 308 C 36 TRP HD1 C 37 ARG HBx 1.0 1.966 7.074 351 309 C 36 TRP HD1 C 36 TRP HBy 1.0 1.640 2.968 352 310 C 34 PHE HDy C 53 CYS HBx 1.0 1.985 6.713 353 310 C 34 PHE HDx C 53 CYS HBx 1.0 1.985 6.713 354 311 C 34 PHE HDx C 32 ALA HB% 1.0 1.974 5.104 355 311 C 34 PHE HDy C 32 ALA HB% 1.0 1.974 5.104 356 312 C 34 PHE HEx C 27 CYS HBy 1.0 1.968 5.018 357 312 C 34 PHE HEy C 27 CYS HBy 1.0 1.968 5.018 358 313 C 39 HIS HBy C 34 PHE HEx 1.0 1.985 5.319 359 313 C 39 HIS HBy C 34 PHE HEy 1.0 1.985 5.319 360 314 C 34 PHE HEx C 53 CYS HBx 1.0 1.999 5.827 361 314 C 34 PHE HEy C 53 CYS HBx 1.0 1.999 5.827 362 315 C 34 PHE HEy C 32 ALA HB% 1.0 1.999 5.769 363 315 C 34 PHE HEx C 32 ALA HB% 1.0 1.999 5.769 364 316 C 34 PHE HEx C 36 TRP HE3 1.0 1.873 4.111 365 316 C 34 PHE HEy C 36 TRP HE3 1.0 1.873 4.111 366 317 C 36 TRP HZ3 C 36 TRP HE3 1.0 1.775 3.541 367 318 C 34 PHE HDy C 34 PHE HEx 1.0 1.840 3.898 368 318 C 34 PHE HDx C 34 PHE HEx 1.0 1.840 3.898 369 318 C 34 PHE HDy C 34 PHE HEy 1.0 1.840 3.898 370 318 C 34 PHE HDx C 34 PHE HEy 1.0 1.840 3.898 371 319 C 40 PHE HEx C 34 PHE HEx 1.0 1.971 5.067 372 319 C 40 PHE HEx C 34 PHE HEy 1.0 1.971 5.067 373 319 C 40 PHE HEy C 34 PHE HEx 1.0 1.971 5.067 374 319 C 40 PHE HEy C 34 PHE HEy 1.0 1.971 5.067 375 320 C 36 TRP HH2 C 36 TRP HZ2 1.0 1.690 3.164 376 321 C 36 TRP HZ3 C 36 TRP HZ2 1.0 2.000 5.898 377 322 C 36 TRP HH2 C 51 LEU HA 1.0 1.957 7.219 378 323 C 36 TRP HH2 C 46 ARG HA 1.0 1.984 6.722 379 324 C 36 TRP HZ2 C 47 PRO HDx 1.0 1.986 5.354 380 325 C 36 TRP HZ2 C 47 PRO HDy 1.0 1.960 7.170 381 326 C 36 TRP HH2 C 44 THR HG2% 1.0 1.995 5.631 382 327 C 36 TRP HZ2 C 51 LEU HDx% 1.0 1.950 7.316 383 328 C 36 TRP HH2 C 51 LEU HDx% 1.0 1.965 7.091 384 329 C 39 HIS HE1 C 39 HIS HBx 1.0 1.983 6.745 385 330 C 39 HIS HE1 C 32 ALA HB% 1.0 1.938 4.658 386 331 C 35 HIS HE1 C 35 HIS HD2 1.0 1.975 6.915 387 332 C 35 HIS HBx C 35 HIS HD2 1.0 1.939 4.667 388 333 C 24 VAL HA C 35 HIS HD2 1.0 1.680 3.122 389 334 C 35 HIS HBy C 35 HIS HD2 1.0 1.917 4.453 390 335 C 23 ASP HBx C 35 HIS HD2 1.0 1.989 6.000 391 336 C 23 ASP HBy C 35 HIS HD2 1.0 1.981 6.000 392 337 C 39 HIS HBy C 54 ARG H 1.0 1.998 6.248 393 338 C 54 ARG HBx C 54 ARG H 1.0 1.807 3.709 394 339 C 24 VAL HGy% C 35 HIS HE2 1.0 1.821 3.787 395 340 C 24 VAL HGx% C 35 HIS HE2 1.0 1.995 6.391 396 341 C 35 HIS HE1 C 35 HIS HE2 1.0 1.764 3.486 397 342 C 35 HIS HD2 C 35 HIS HE2 1.0 1.702 3.208 398 343 C 24 VAL HA C 35 HIS HE2 1.0 1.967 5.003 399 344 C 20 ASP HBx C 35 HIS HE2 1.0 1.955 7.249 400 345 C 28 THR HB C 29 HIS H 1.0 1.997 5.721 401 346 C 36 TRP HD1 C 36 TRP H 1.0 1.981 6.803 402 347 C 36 TRP HZ3 C 52 ARG H 1.0 1.990 5.462 403 348 C 25 LEU H C 35 HIS HD2 1.0 1.958 4.884 404 349 C 35 HIS HD2 C 22 THR H 1.0 1.972 6.982 405 350 C 35 HIS HD2 C 36 TRP H 1.0 1.979 6.853 406 351 C 36 TRP H C 38 CYS H 1.0 1.997 5.697 407 352 C 34 PHE H C 34 PHE HEx 1.0 1.916 4.440 408 352 C 34 PHE H C 34 PHE HEy 1.0 1.916 4.440 409 353 C 36 TRP HH2 C 36 TRP HE1 1.0 1.980 6.818 410 354 C 34 PHE HDy C 33 ALA HA 1.0 1.991 5.467 411 354 C 34 PHE HDx C 33 ALA HA 1.0 1.991 5.467 412 355 C 40 PHE HBy C 40 PHE HDx 1.0 1.819 3.771 413 355 C 40 PHE HBy C 40 PHE HDy 1.0 1.819 3.771 414 356 C 40 PHE HDx C 39 HIS HBy 1.0 1.990 5.470 415 356 C 40 PHE HDy C 39 HIS HBy 1.0 1.990 5.470 416 357 C 34 PHE H C 24 VAL HGy% 1.0 1.851 3.967 417 358 C 34 PHE H C 24 VAL HGx% 1.0 1.993 5.535 418 359 C 24 VAL HGy% C 22 THR H 1.0 1.978 5.178 419 360 C 24 VAL HGx% C 22 THR H 1.0 1.989 5.417 420 361 C 24 VAL HGy% C 15 CYS H 1.0 1.883 4.177 421 362 C 35 HIS HE1 C 24 VAL HGy% 1.0 1.951 4.797 422 363 C 24 VAL HGx% C 15 CYS H 1.0 1.999 5.815 423 364 C 24 VAL HGy% C 24 VAL H 1.0 1.909 4.385 424 365 C 24 VAL HGx% C 24 VAL H 1.0 1.702 3.210 425 366 C 24 VAL HGx% C 35 HIS HD2 1.0 2.000 6.012 426 367 C 24 VAL HGy% C 35 HIS HD2 1.0 1.872 4.104 427 368 C 34 PHE HDx C 24 VAL HGy% 1.0 1.877 8.107 428 368 C 34 PHE HDy C 24 VAL HGy% 1.0 1.877 8.107 429 369 C 53 CYS H C 54 ARG H 1.0 1.991 6.559 430 370 C 22 THR HA C 23 ASP H 1.0 1.634 2.942 431 371 C 22 THR HG2% C 23 ASP H 1.0 1.853 3.981 432 372 C 23 ASP HA C 23 ASP H 1.0 1.653 3.015 433 373 C 5 GLY H C 5 GLY HAx 1.0 1.794 3.640 434 374 C 5 GLY H C 4 GLU HA 1.0 1.771 3.519 435 375 C 4 GLU H C 3 MET HA 1.0 1.778 3.558 436 376 C 6 GLN H C 6 GLN HA 1.0 1.888 4.218 437 377 C 7 GLN H C 7 GLN HA 1.0 1.738 3.368 438 378 C 6 GLN H C 7 GLN H 1.0 1.732 3.340 439 379 C 7 GLN HA C 8 ASN H 1.0 1.726 3.314 440 380 C 9 LEU HA C 9 LEU H 1.0 1.800 3.670 441 381 C 9 LEU HBx C 9 LEU H 1.0 1.593 2.797 442 382 C 9 LEU HA C 10 ALA H 1.0 1.587 2.779 443 383 C 10 ALA HA C 10 ALA H 1.0 1.756 3.450 444 384 C 10 ALA HB% C 10 ALA H 1.0 1.661 3.047 445 385 C 11 PRO HA C 12 GLY H 1.0 1.732 3.340 446 386 C 11 PRO HBx C 12 GLY H 1.0 1.989 6.599 447 387 C 10 ALA HB% C 12 GLY H 1.0 1.948 4.756 448 388 C 13 ALA HB% C 13 ALA H 1.0 1.611 2.863 449 389 C 13 ALA HA C 14 ARG H 1.0 1.657 3.031 450 390 C 17 VAL HB C 17 VAL H 1.0 1.608 2.848 451 391 C 17 VAL HGy% C 17 VAL H 1.0 1.643 2.975 452 392 C 17 VAL H C 18 CYS H 1.0 1.664 3.056 453 393 C 39 HIS HD2 C 17 VAL H 1.0 1.997 6.331 454 394 C 15 CYS HBx C 17 VAL H 1.0 1.993 5.547 455 395 C 18 CYS HBx C 17 VAL H 1.0 1.997 6.283 456 396 C 18 CYS HA C 18 CYS H 1.0 1.918 4.460 457 397 C 17 VAL HB C 18 CYS H 1.0 1.614 2.874 458 398 C 17 VAL HA C 18 CYS H 1.0 1.921 4.491 459 399 C 18 CYS HBx C 18 CYS H 1.0 1.873 4.107 460 400 C 18 CYS HBy C 18 CYS H 1.0 1.894 4.258 461 401 C 18 CYS H C 19 GLY H 1.0 1.639 2.963 462 402 C 19 GLY HAy C 19 GLY H 1.0 1.589 2.785 463 403 C 19 GLY HAx C 19 GLY H 1.0 1.810 3.726 464 404 C 18 CYS HA C 19 GLY H 1.0 1.996 5.680 465 405 C 15 CYS HBx C 19 GLY H 1.0 1.836 3.872 466 406 C 19 GLY H C 20 ASP H 1.0 1.709 3.239 467 407 C 17 VAL HB C 19 GLY H 1.0 1.998 6.280 468 408 C 20 ASP HA C 20 ASP H 1.0 1.816 3.756 469 409 C 19 GLY HAy C 20 ASP H 1.0 1.920 4.484 470 410 C 19 GLY HAx C 20 ASP H 1.0 1.963 4.947 471 411 C 15 CYS HBx C 20 ASP H 1.0 1.825 3.807 472 412 C 20 ASP HBx C 20 ASP H 1.0 1.648 2.994 473 413 C 20 ASP HBy C 20 ASP H 1.0 1.882 4.176 474 414 C 15 CYS HBy C 20 ASP H 1.0 1.964 7.100 475 415 C 24 VAL HGy% C 20 ASP H 1.0 1.961 7.165 476 416 C 21 GLY HAx C 21 GLY H 1.0 1.872 4.102 477 417 C 20 ASP HBy C 21 GLY H 1.0 1.981 5.229 478 418 C 20 ASP HBx C 21 GLY H 1.0 1.998 5.744 479 419 C 14 ARG HGy C 21 GLY H 1.0 1.958 4.884 480 420 C 24 VAL HGy% C 21 GLY H 1.0 1.992 6.528 481 421 C 22 THR HA C 22 THR H 1.0 1.739 3.371 482 422 C 21 GLY HAy C 22 THR H 1.0 1.894 4.264 483 423 C 20 ASP HBy C 22 THR H 1.0 1.998 5.716 484 424 C 20 ASP HBx C 22 THR H 1.0 1.919 7.695 485 425 C 22 THR HB C 22 THR H 1.0 1.702 3.210 486 426 C 22 THR HG2% C 22 THR H 1.0 1.893 4.257 487 427 C 24 VAL H C 23 ASP H 1.0 1.883 4.187 488 428 C 23 ASP HBy C 23 ASP H 1.0 1.945 4.729 489 429 C 23 ASP HBx C 23 ASP H 1.0 1.999 6.097 490 430 C 24 VAL HA C 24 VAL H 1.0 1.933 4.597 491 431 C 23 ASP HA C 24 VAL H 1.0 1.893 4.257 492 432 C 24 VAL HB C 24 VAL H 1.0 1.968 5.020 493 433 C 25 LEU H C 25 LEU HA 1.0 1.917 4.453 494 434 C 25 LEU H C 34 PHE H 1.0 1.859 4.017 495 435 C 25 LEU H C 35 HIS HBx 1.0 1.980 6.828 496 436 C 25 LEU H C 25 LEU HG 1.0 1.687 3.149 497 437 C 25 LEU H C 25 LEU HBx 1.0 1.773 3.531 498 438 C 26 ARG HA C 26 ARG H 1.0 1.862 4.040 499 439 C 25 LEU HA C 26 ARG H 1.0 1.639 2.961 500 440 C 25 LEU HBx C 26 ARG H 1.0 1.895 4.273 501 441 C 27 CYS H C 27 CYS HA 1.0 1.889 4.229 502 442 C 27 CYS H C 32 ALA HB% 1.0 1.907 4.363 503 443 C 27 CYS H C 34 PHE HEx 1.0 1.986 5.334 504 443 C 27 CYS H C 34 PHE HEy 1.0 1.986 5.334 505 444 C 27 CYS HA C 28 THR H 1.0 1.546 2.642 506 445 C 52 ARG HA C 28 THR H 1.0 1.839 3.891 507 446 C 27 CYS HBx C 28 THR H 1.0 2.000 6.064 508 447 C 28 THR H C 29 HIS H 1.0 1.727 3.315 509 448 C 51 LEU HDy% C 28 THR H 1.0 1.991 6.547 510 449 C 29 HIS HA C 29 HIS H 1.0 1.886 4.204 511 450 C 29 HIS HBx C 29 HIS H 1.0 1.681 3.123 512 451 C 29 HIS HBy C 29 HIS H 1.0 1.927 4.539 513 452 C 52 ARG HA C 29 HIS H 1.0 1.967 4.997 514 453 C 29 HIS HD2 C 29 HIS H 1.0 1.870 4.088 515 454 C 29 HIS HBy C 30 CYS H 1.0 1.907 4.369 516 455 C 29 HIS HBx C 30 CYS H 1.0 1.735 3.355 517 456 C 30 CYS HBy C 30 CYS H 1.0 1.817 3.765 518 457 C 27 CYS HBx C 30 CYS H 1.0 1.784 3.590 519 458 C 28 THR HG2% C 30 CYS H 1.0 1.999 6.109 520 459 C 31 ALA H C 30 CYS H 1.0 1.766 6.000 521 460 C 29 HIS H C 30 CYS H 1.0 1.627 2.919 522 461 C 27 CYS HBx C 31 ALA H 1.0 1.866 4.064 523 462 C 31 ALA HB% C 31 ALA H 1.0 1.796 3.652 524 463 C 27 CYS HBy C 31 ALA H 1.0 1.999 5.887 525 464 C 30 CYS HBy C 31 ALA H 1.0 1.771 8.933 526 465 C 30 CYS HA C 31 ALA H 1.0 1.997 5.679 527 466 C 32 ALA H C 31 ALA H 1.0 1.967 4.995 528 467 C 31 ALA HA C 32 ALA H 1.0 1.779 3.561 529 468 C 27 CYS HBx C 32 ALA H 1.0 1.842 3.908 530 469 C 27 CYS HBy C 32 ALA H 1.0 1.964 4.968 531 470 C 32 ALA HB% C 32 ALA H 1.0 1.717 3.273 532 471 C 33 ALA HA C 33 ALA H 1.0 1.942 4.698 533 472 C 34 PHE H C 34 PHE HA 1.0 1.879 4.153 534 473 C 34 PHE H C 34 PHE HDy 1.0 1.932 4.592 535 473 C 34 PHE H C 34 PHE HDx 1.0 1.932 4.592 536 474 C 34 PHE H C 33 ALA HB% 1.0 1.965 4.973 537 475 C 34 PHE H C 34 PHE HBy 1.0 1.875 4.129 538 476 C 34 PHE H C 34 PHE HBx 1.0 1.975 5.121 539 477 C 34 PHE H C 24 VAL HA 1.0 1.988 6.644 540 478 C 34 PHE HBx C 35 HIS H 1.0 1.988 5.390 541 479 C 25 LEU HBx C 36 TRP H 1.0 1.800 3.668 542 480 C 25 LEU HG C 36 TRP H 1.0 1.927 4.541 543 481 C 36 TRP HA C 36 TRP H 1.0 1.806 3.702 544 482 C 35 HIS HA C 36 TRP H 1.0 1.672 3.088 545 483 C 37 ARG H C 36 TRP H 1.0 1.789 3.609 546 484 C 37 ARG H C 37 ARG HA 1.0 1.729 3.325 547 485 C 35 HIS HA C 37 ARG H 1.0 1.998 5.800 548 486 C 35 HIS HBx C 37 ARG H 1.0 1.862 4.038 549 487 C 37 ARG H C 38 CYS H 1.0 1.710 3.244 550 488 C 37 ARG H C 39 HIS H 1.0 1.993 5.539 551 489 C 38 CYS HA C 38 CYS H 1.0 1.899 4.301 552 490 C 35 HIS HBx C 38 CYS H 1.0 1.877 4.133 553 491 C 39 HIS HBx C 38 CYS H 1.0 1.701 9.393 554 492 C 38 CYS H C 35 HIS H 1.0 1.992 6.522 555 493 C 38 CYS H C 40 PHE H 1.0 2.000 6.158 556 494 C 39 HIS HBx C 39 HIS H 1.0 1.908 4.376 557 495 C 38 CYS HBy C 39 HIS H 1.0 1.779 3.565 558 496 C 39 HIS HBy C 39 HIS H 1.0 1.738 3.370 559 497 C 38 CYS H C 39 HIS H 1.0 1.612 2.864 560 498 C 39 HIS HD2 C 39 HIS H 1.0 1.820 3.782 561 499 C 37 ARG HA C 40 PHE H 1.0 1.791 3.623 562 500 C 39 HIS H C 40 PHE H 1.0 1.601 2.827 563 501 C 40 PHE HEx C 40 PHE H 1.0 1.977 5.169 564 501 C 40 PHE HEy C 40 PHE H 1.0 1.977 5.169 565 502 C 40 PHE HDx C 40 PHE H 1.0 1.939 4.663 566 502 C 40 PHE HDy C 40 PHE H 1.0 1.939 4.663 567 503 C 40 PHE HBx C 40 PHE H 1.0 1.756 3.448 568 504 C 40 PHE HBy C 40 PHE H 1.0 1.900 4.308 569 505 C 25 LEU H C 33 ALA HA 1.0 2.000 5.936 570 506 C 36 TRP HD1 C 36 TRP HE1 1.0 1.622 2.902 571 507 C 36 TRP HZ2 C 36 TRP HE1 1.0 1.727 3.317 572 508 C 41 PRO HA C 42 ALA H 1.0 1.647 6.000 573 509 C 42 ALA HB% C 42 ALA H 1.0 1.602 2.828 574 510 C 41 PRO HBx C 42 ALA H 1.0 1.871 6.000 575 511 C 45 SER HA C 44 THR H 1.0 1.718 6.000 576 512 C 44 THR H C 43 GLY HAx 1.0 1.900 4.312 577 513 C 44 THR HG2% C 44 THR H 1.0 1.953 4.821 578 514 C 42 ALA H C 44 THR H 1.0 1.966 4.992 579 515 C 36 TRP HE1 C 44 THR H 1.0 2.000 6.134 580 516 C 44 THR HA C 45 SER H 1.0 1.614 2.872 581 517 C 44 THR HG2% C 45 SER H 1.0 1.859 4.015 582 518 C 44 THR H C 45 SER H 1.0 1.988 5.402 583 519 C 46 ARG HA C 46 ARG H 1.0 1.768 3.508 584 520 C 45 SER HA C 46 ARG H 1.0 1.511 2.533 585 521 C 46 ARG HBy C 46 ARG H 1.0 1.781 3.571 586 522 C 46 ARG HBx C 46 ARG H 1.0 1.642 2.974 587 523 C 48 GLY H C 49 THR H 1.0 1.821 3.787 588 524 C 49 THR HA C 50 GLY H 1.0 1.736 3.358 589 525 C 51 LEU HA C 51 LEU H 1.0 1.703 3.217 590 526 C 51 LEU HDy% C 51 LEU H 1.0 1.981 5.227 591 527 C 52 ARG HA C 52 ARG H 1.0 1.842 3.906 592 528 C 51 LEU HA C 52 ARG H 1.0 1.533 2.599 593 529 C 51 LEU HDy% C 52 ARG H 1.0 1.995 5.629 594 530 C 53 CYS HA C 53 CYS H 1.0 1.834 3.862 595 531 C 27 CYS HA C 53 CYS H 1.0 1.971 5.065 596 532 C 53 CYS HBy C 53 CYS H 1.0 1.870 4.090 597 533 C 53 CYS HBx C 53 CYS H 1.0 1.746 3.400 598 534 C 53 CYS HA C 54 ARG H 1.0 1.773 3.535 599 535 C 53 CYS HBy C 54 ARG H 1.0 1.650 3.004 600 536 C 53 CYS HBx C 54 ARG H 1.0 1.995 5.619 601 537 C 39 HIS HBx C 54 ARG H 1.0 1.997 5.701 602 538 C 56 CYS HBx C 56 CYS H 1.0 1.802 3.678 603 539 C 52 ARG HA C 57 SER H 1.0 1.967 7.057 604 540 C 57 SER HA C 58 GLY H 1.0 1.881 4.169 605 541 C 59 ASP HA C 59 ASP H 1.0 1.847 3.939 606 542 C 60 VAL HA C 60 VAL H 1.0 1.808 3.710 607 543 C 59 ASP HA C 60 VAL H 1.0 1.695 3.179 608 544 C 60 VAL HB C 60 VAL H 1.0 1.778 3.552 609 545 C 59 ASP HBy C 60 VAL H 1.0 1.963 4.947 610 546 C 61 THR HA C 61 THR H 1.0 1.824 3.804 611 547 C 60 VAL HA C 61 THR H 1.0 1.569 2.717 612 548 C 60 VAL HB C 61 THR H 1.0 1.948 4.768 613 549 C 62 PRO HA C 63 ALA H 1.0 1.584 2.768 614 550 C 62 PRO HBy C 63 ALA H 1.0 1.973 5.089 615 551 C 63 ALA H C 63 ALA HB% 1.0 1.752 3.432 616 552 C 65 VAL HA C 65 VAL H 1.0 1.911 4.397 617 553 C 64 PRO HA C 65 VAL H 1.0 1.630 2.930 618 554 C 64 PRO HDy C 65 VAL H 1.0 1.893 7.959 619 555 C 65 VAL HB C 65 VAL H 1.0 1.849 3.955 620 556 C 65 VAL HGy% C 65 VAL H 1.0 1.883 4.183 621 557 C 66 GLU H C 66 GLU HA 1.0 1.723 3.297 622 558 C 14 ARG HA C 15 CYS H 1.0 1.795 3.643 623 559 C 15 CYS HBx C 15 CYS H 1.0 1.868 4.076 624 560 C 15 CYS HBy C 15 CYS H 1.0 1.896 4.276 625 561 C 21 GLY HAy C 21 GLY H 1.0 1.678 3.114 626 562 C 14 ARG HA C 21 GLY H 1.0 2.000 6.002 627 563 C 27 CYS H C 26 ARG H 1.0 1.983 6.769 628 564 C 28 THR HG2% C 29 HIS H 1.0 1.952 4.806 629 565 C 39 HIS HE1 C 54 ARG H 1.0 1.888 4.216 630 566 C 54 ARG H C 55 SER H 1.0 1.871 4.093 631 567 C 35 HIS HE2 C 22 THR H 1.0 1.906 4.354 632 568 C 54 ARG H C 39 HIS H 1.0 1.846 8.370 633 569 C 36 TRP H C 39 HIS H 1.0 1.929 7.571 634 570 C 8 ASN H C 8 ASN HD2y 1.0 1.933 7.533 635 571 C 40 PHE HDx C 36 TRP HE1 1.0 1.961 7.153 636 571 C 40 PHE HDy C 36 TRP HE1 1.0 1.961 7.153 637 572 C 45 SER HA C 36 TRP HE1 1.0 1.857 4.005 638 573 C 46 ARG HA C 36 TRP HE1 1.0 1.948 4.760 639 574 C 40 PHE HBy C 36 TRP HE1 1.0 1.988 5.392 640 575 C 46 ARG HBy C 36 TRP HE1 1.0 1.937 4.647 641 576 C 59 ASP HBy C 61 THR H 1.0 1.943 7.409 642 577 C 8 ASN HD2y C 8 ASN HD2x 1.0 1.262 1.878 643 578 C 54 ARG HDx C 54 ARG HE 1.0 1.974 5.106 644 579 C 54 ARG HDy C 54 ARG HE 1.0 1.972 5.068 645 580 C 46 ARG H C 46 ARG HE 1.0 1.890 7.990 646 581 C 49 THR HG2% C 49 THR H 1.0 1.836 3.876 647 582 C 49 THR HA C 49 THR H 1.0 1.802 3.682 648 583 C 64 PRO HDy C 64 PRO HG2 1.0 1.502 2.506 649 583 C 41 PRO HDx C 41 PRO HGy 1.0 1.502 2.506 650 583 C 64 PRO HDy C 64 PRO HG3 1.0 1.502 2.506 651 584 C 39 HIS HE1 C 34 PHE HZ 1.0 1.999 6.151 652 584 C 39 HIS HE1 C 34 PHE HEx 1.0 1.999 6.151 653 584 C 39 HIS HE1 C 34 PHE HEy 1.0 1.999 6.151 654 585 C 39 HIS HE1 C 54 ARG HGy 1.0 1.945 4.735 655 585 C 39 HIS HE1 C 54 ARG HGx 1.0 1.945 4.735 656 586 C 34 PHE HDx C 51 LEU HDx% 1.0 1.998 5.798 657 586 C 34 PHE HDx C 25 LEU HBx 1.0 1.998 5.798 658 586 C 34 PHE HDy C 25 LEU HBx 1.0 1.998 5.798 659 586 C 34 PHE HDy C 51 LEU HDx% 1.0 1.998 5.798 660 587 C 34 PHE HEy C 51 LEU HG 1.0 1.960 4.912 661 587 C 34 PHE HEx C 51 LEU HBy 1.0 1.960 4.912 662 587 C 34 PHE HEx C 51 LEU HG 1.0 1.960 4.912 663 587 C 34 PHE HZ C 51 LEU HG 1.0 1.960 4.912 664 587 C 34 PHE HEy C 51 LEU HBy 1.0 1.960 4.912 665 587 C 51 LEU HBy C 34 PHE HZ 1.0 1.960 4.912 666 588 C 62 PRO HDx C 62 PRO HG3 1.0 1.693 3.173 667 588 C 62 PRO HDx C 62 PRO HG2 1.0 1.693 3.173 668 589 C 34 PHE HZ C 25 LEU HBy 1.0 1.997 6.271 669 589 C 34 PHE HEx C 25 LEU HBy 1.0 1.997 6.271 670 589 C 34 PHE HEy C 25 LEU HBy 1.0 1.997 6.271 671 590 C 64 PRO HG2 C 64 PRO HDx 1.0 1.567 2.713 672 590 C 11 PRO HDx C 11 PRO HG2 1.0 1.567 2.713 673 590 C 11 PRO HG3 C 11 PRO HDx 1.0 1.567 2.713 674 591 C 64 PRO HDy C 63 ALA HB% 1.0 1.806 3.702 675 591 C 10 ALA HB% C 11 PRO HDy 1.0 1.806 3.702 676 592 C 10 ALA HB% C 11 PRO HDx 1.0 1.942 4.696 677 592 C 63 ALA HB% C 64 PRO HDx 1.0 1.942 4.696 678 593 C 7 GLN HA C 7 GLN HBy 1.0 1.622 2.898 679 593 C 6 GLN HA C 6 GLN HBy 1.0 1.622 2.898 680 594 C 7 GLN HA C 7 GLN HBx 1.0 1.831 3.847 681 594 C 7 GLN HA C 7 GLN HBy 1.0 1.831 3.847 682 594 C 6 GLN HA C 6 GLN HBx 1.0 1.831 3.847 683 595 C 6 GLN HA C 6 GLN HG2 1.0 1.842 3.910 684 595 C 6 GLN HA C 6 GLN HG3 1.0 1.842 3.910 685 596 C 8 ASN HBy C 8 ASN HA 1.0 1.717 3.273 686 596 C 8 ASN HA C 8 ASN HBx 1.0 1.717 3.273 687 597 C 40 PHE HZ C 54 ARG HBy 1.0 2.000 5.942 688 597 C 40 PHE HZ C 44 THR HG2% 1.0 2.000 5.942 689 598 C 40 PHE HDy C 41 PRO HDy 1.0 1.922 7.662 690 598 C 40 PHE HDx C 41 PRO HDy 1.0 1.922 7.662 691 598 C 40 PHE HDx C 41 PRO HDx 1.0 1.922 7.662 692 598 C 40 PHE HDy C 41 PRO HDx 1.0 1.922 7.662 693 599 C 36 TRP HH2 C 47 PRO HGy 1.0 1.999 5.829 694 599 C 36 TRP HH2 C 47 PRO HGx 1.0 1.999 5.829 695 600 C 9 LEU HDx% C 9 LEU HG 1.0 1.683 3.131 696 600 C 9 LEU HBy C 9 LEU HDx% 1.0 1.683 3.131 697 601 C 63 ALA HA C 64 PRO HDx 1.0 1.468 2.406 698 601 C 10 ALA HA C 11 PRO HDx 1.0 1.468 2.406 699 602 C 10 ALA HA C 11 PRO HG2 1.0 1.984 6.730 700 602 C 10 ALA HA C 11 PRO HG3 1.0 1.984 6.730 701 603 C 11 PRO HA C 11 PRO HBy 1.0 1.748 3.410 702 603 C 11 PRO HA C 11 PRO HG2 1.0 1.748 3.410 703 604 C 11 PRO HA C 11 PRO HBy 1.0 1.780 3.564 704 604 C 62 PRO HBy C 62 PRO HA 1.0 1.780 3.564 705 604 C 64 PRO HA C 64 PRO HBx 1.0 1.780 3.564 706 605 C 14 ARG HA C 14 ARG HDx 1.0 1.995 6.405 707 605 C 14 ARG HA C 14 ARG HDy 1.0 1.995 6.405 708 606 C 14 ARG HA C 14 ARG HBy 1.0 1.649 2.999 709 606 C 14 ARG HA C 14 ARG HGy 1.0 1.649 2.999 710 606 C 14 ARG HA C 14 ARG HBx 1.0 1.649 2.999 711 607 C 14 ARG HBx C 14 ARG HDx 1.0 1.919 4.473 712 607 C 14 ARG HBx C 14 ARG HDy 1.0 1.919 4.473 713 608 C 14 ARG HBy C 14 ARG HDx 1.0 1.879 4.153 714 608 C 14 ARG HBy C 14 ARG HDy 1.0 1.879 4.153 715 609 C 33 ALA HB% C 26 ARG HD2 1.0 1.965 4.987 716 609 C 33 ALA HB% C 26 ARG HD3 1.0 1.965 4.987 717 610 C 24 VAL HGx% C 26 ARG HD2 1.0 1.932 4.598 718 610 C 24 VAL HGx% C 26 ARG HD3 1.0 1.932 4.598 719 611 C 14 ARG HGy C 14 ARG HDy 1.0 1.789 3.611 720 611 C 14 ARG HGy C 14 ARG HDx 1.0 1.789 3.611 721 612 C 17 VAL HA C 17 VAL HGx% 1.0 1.513 2.539 722 612 C 17 VAL HA C 17 VAL HGy% 1.0 1.513 2.539 723 613 C 17 VAL HB C 17 VAL HGy% 1.0 1.468 2.408 724 613 C 17 VAL HB C 17 VAL HGx% 1.0 1.468 2.408 725 614 C 21 GLY HAx C 14 ARG HGy 1.0 1.928 4.554 726 614 C 21 GLY HAx C 14 ARG HBx 1.0 1.928 4.554 727 615 C 24 VAL HGy% C 26 ARG HD3 1.0 1.997 5.663 728 615 C 24 VAL HGy% C 26 ARG HD2 1.0 1.997 5.663 729 616 C 25 LEU HG C 25 LEU HDx% 1.0 1.491 2.471 730 616 C 25 LEU HG C 25 LEU HDy% 1.0 1.491 2.471 731 617 C 25 LEU HA C 25 LEU HDy% 1.0 1.515 2.547 732 617 C 25 LEU HA C 25 LEU HDx% 1.0 1.515 2.547 733 618 C 26 ARG HA C 26 ARG HD2 1.0 1.665 3.061 734 618 C 26 ARG HA C 26 ARG HD3 1.0 1.665 3.061 735 619 C 26 ARG HA C 26 ARG HBx 1.0 1.659 3.039 736 619 C 26 ARG HA C 26 ARG HBy 1.0 1.659 3.039 737 620 C 26 ARG HBy C 26 ARG HD3 1.0 1.881 4.171 738 620 C 26 ARG HBy C 26 ARG HD2 1.0 1.881 4.171 739 621 C 26 ARG HBx C 26 ARG HD3 1.0 1.970 5.058 740 621 C 26 ARG HBx C 26 ARG HD2 1.0 1.970 5.058 741 622 C 26 ARG HGy C 26 ARG HD3 1.0 1.677 3.107 742 622 C 26 ARG HGy C 26 ARG HD2 1.0 1.677 3.107 743 623 C 27 CYS HA C 26 ARG HBy 1.0 1.969 5.037 744 623 C 27 CYS HA C 26 ARG HBx 1.0 1.969 5.037 745 624 C 33 ALA HA C 26 ARG HD2 1.0 1.691 3.163 746 624 C 33 ALA HA C 26 ARG HD3 1.0 1.691 3.163 747 625 C 36 TRP HA C 36 TRP HBy 1.0 1.658 3.034 748 625 C 36 TRP HA C 36 TRP HBx 1.0 1.658 3.034 749 626 C 37 ARG HA C 37 ARG HBy 1.0 1.633 2.941 750 626 C 37 ARG HGy C 37 ARG HA 1.0 1.633 2.941 751 626 C 37 ARG HBx C 37 ARG HA 1.0 1.633 2.941 752 627 C 37 ARG HBx C 37 ARG HDy 1.0 1.799 3.665 753 627 C 37 ARG HBx C 37 ARG HDx 1.0 1.799 3.665 754 628 C 37 ARG HA C 37 ARG HDx 1.0 1.950 4.778 755 628 C 37 ARG HA C 37 ARG HDy 1.0 1.950 4.778 756 629 C 37 ARG HGy C 37 ARG HDy 1.0 1.544 2.634 757 629 C 37 ARG HGx C 37 ARG HDy 1.0 1.544 2.634 758 629 C 37 ARG HGy C 37 ARG HDx 1.0 1.544 2.634 759 629 C 37 ARG HGx C 37 ARG HDx 1.0 1.544 2.634 760 629 C 37 ARG HBx C 37 ARG HDx 1.0 1.544 2.634 761 630 C 37 ARG HGy C 37 ARG HDy 1.0 1.755 3.447 762 630 C 37 ARG HGy C 37 ARG HDx 1.0 1.755 3.447 763 631 C 37 ARG HGx C 37 ARG HDx 1.0 1.698 3.194 764 631 C 37 ARG HGx C 37 ARG HDy 1.0 1.698 3.194 765 632 C 38 CYS HA C 38 CYS HBx 1.0 1.689 3.155 766 632 C 56 CYS HA C 56 CYS HBx 1.0 1.689 3.155 767 633 C 56 CYS HBx C 55 SER HB3 1.0 2.000 5.956 768 633 C 35 HIS HBx C 38 CYS HBx 1.0 2.000 5.956 769 633 C 56 CYS HBx C 55 SER HB2 1.0 2.000 5.956 770 634 C 17 VAL HGx% C 38 CYS HBx 1.0 1.678 3.110 771 634 C 38 CYS HBx C 17 VAL HGy% 1.0 1.678 3.110 772 635 C 38 CYS HBy C 17 VAL HGy% 1.0 1.964 4.972 773 635 C 17 VAL HGx% C 38 CYS HBy 1.0 1.964 4.972 774 636 C 39 HIS HA C 17 VAL HGy% 1.0 1.924 4.522 775 636 C 17 VAL HGx% C 39 HIS HA 1.0 1.924 4.522 776 637 C 41 PRO HBx C 41 PRO HDy 1.0 1.956 4.854 777 637 C 41 PRO HBx C 41 PRO HDx 1.0 1.956 4.854 778 638 C 41 PRO HBy C 41 PRO HDy 1.0 1.910 4.394 779 638 C 41 PRO HBy C 41 PRO HDx 1.0 1.910 4.394 780 639 C 41 PRO HDy C 41 PRO HGx 1.0 1.678 3.110 781 639 C 41 PRO HDy C 41 PRO HGy 1.0 1.678 3.110 782 640 C 40 PHE HA C 41 PRO HGy 1.0 1.883 8.057 783 640 C 40 PHE HA C 41 PRO HGx 1.0 1.883 8.057 784 641 C 41 PRO HA C 41 PRO HGy 1.0 1.941 4.687 785 641 C 41 PRO HA C 41 PRO HGx 1.0 1.941 4.687 786 641 C 64 PRO HA C 64 PRO HG3 1.0 1.941 4.687 787 641 C 64 PRO HA C 64 PRO HG2 1.0 1.941 4.687 788 642 C 44 THR HG2% C 44 THR HB 1.0 1.548 2.648 789 642 C 44 THR HA C 44 THR HG2% 1.0 1.548 2.648 790 643 C 45 SER HA C 45 SER HBx 1.0 1.600 2.822 791 643 C 45 SER HA C 45 SER HBy 1.0 1.600 2.822 792 644 C 46 ARG HA C 47 PRO HGx 1.0 1.964 7.102 793 644 C 46 ARG HA C 47 PRO HGy 1.0 1.964 7.102 794 645 C 46 ARG HBx C 46 ARG HD3 1.0 1.841 3.907 795 645 C 46 ARG HBx C 46 ARG HD2 1.0 1.841 3.907 796 646 C 46 ARG HBy C 46 ARG HD2 1.0 1.851 3.967 797 646 C 46 ARG HBy C 46 ARG HD3 1.0 1.851 3.967 798 647 C 46 ARG HA C 46 ARG HG3 1.0 1.879 4.149 799 647 C 46 ARG HA C 46 ARG HG2 1.0 1.879 4.149 800 648 C 46 ARG HD2 C 46 ARG HG2 1.0 1.765 3.495 801 648 C 46 ARG HD2 C 46 ARG HG3 1.0 1.765 3.495 802 648 C 46 ARG HD3 C 46 ARG HG3 1.0 1.765 3.495 803 648 C 46 ARG HD3 C 46 ARG HG2 1.0 1.765 3.495 804 649 C 47 PRO HDx C 47 PRO HGx 1.0 1.596 2.806 805 649 C 47 PRO HDx C 47 PRO HGy 1.0 1.596 2.806 806 650 C 47 PRO HDy C 47 PRO HGy 1.0 1.593 2.801 807 650 C 47 PRO HDy C 47 PRO HGx 1.0 1.593 2.801 808 651 C 47 PRO HDx C 46 ARG HG3 1.0 1.991 5.459 809 651 C 47 PRO HDx C 46 ARG HG2 1.0 1.991 5.459 810 652 C 47 PRO HA C 47 PRO HGx 1.0 1.920 4.484 811 652 C 47 PRO HA C 47 PRO HGy 1.0 1.920 4.484 812 653 C 28 THR HG2% C 50 GLY HAy 1.0 1.819 3.771 813 653 C 28 THR HG2% C 50 GLY HAx 1.0 1.819 3.771 814 654 C 51 LEU HBy C 34 PHE HZ 1.0 1.978 5.190 815 654 C 34 PHE HEx C 51 LEU HBy 1.0 1.978 5.190 816 654 C 34 PHE HEy C 51 LEU HBy 1.0 1.978 5.190 817 655 C 34 PHE HEx C 51 LEU HBx 1.0 1.993 6.481 818 655 C 34 PHE HEy C 51 LEU HBx 1.0 1.993 6.481 819 655 C 51 LEU HBx C 34 PHE HZ 1.0 1.993 6.481 820 656 C 51 LEU HDx% C 51 LEU HG 1.0 1.811 3.729 821 656 C 51 LEU HDy% C 51 LEU HG 1.0 1.811 3.729 822 657 C 27 CYS HA C 52 ARG HA 1.0 1.836 3.872 823 657 C 51 LEU HA C 52 ARG HA 1.0 1.836 3.872 824 658 C 52 ARG HA C 52 ARG HDy 1.0 1.991 5.469 825 658 C 52 ARG HA C 52 ARG HDx 1.0 1.991 5.469 826 659 C 52 ARG HA C 52 ARG HBx 1.0 1.602 2.828 827 659 C 52 ARG HA C 52 ARG HBy 1.0 1.602 2.828 828 660 C 52 ARG HGy C 52 ARG HBx 1.0 1.782 3.576 829 660 C 52 ARG HGy C 52 ARG HBy 1.0 1.782 3.576 830 661 C 56 CYS HBy C 52 ARG HBy 1.0 1.941 4.689 831 661 C 56 CYS HBy C 52 ARG HBx 1.0 1.941 4.689 832 662 C 52 ARG HDy C 52 ARG HBx 1.0 1.659 3.039 833 662 C 56 CYS HBx C 52 ARG HBy 1.0 1.659 3.039 834 662 C 52 ARG HDx C 52 ARG HBx 1.0 1.659 3.039 835 662 C 52 ARG HDx C 52 ARG HBy 1.0 1.659 3.039 836 663 C 52 ARG HBy C 57 SER HBx 1.0 1.915 4.435 837 663 C 57 SER HBy C 52 ARG HBx 1.0 1.915 4.435 838 663 C 57 SER HBy C 52 ARG HBy 1.0 1.915 4.435 839 664 C 51 LEU HA C 52 ARG HBx 1.0 1.956 4.860 840 664 C 57 SER HA C 52 ARG HBx 1.0 1.956 4.860 841 664 C 57 SER HA C 52 ARG HBy 1.0 1.956 4.860 842 665 C 52 ARG HDx C 52 ARG HBx 1.0 1.528 2.584 843 665 C 52 ARG HGx C 52 ARG HDx 1.0 1.528 2.584 844 665 C 52 ARG HGx C 52 ARG HDy 1.0 1.528 2.584 845 665 C 52 ARG HDx C 52 ARG HBy 1.0 1.528 2.584 846 666 C 57 SER HA C 52 ARG HDy 1.0 1.822 3.796 847 666 C 52 ARG HDx C 57 SER HA 1.0 1.822 3.796 848 667 C 52 ARG HGy C 52 ARG HDy 1.0 1.756 3.448 849 667 C 52 ARG HGy C 52 ARG HDx 1.0 1.756 3.448 850 668 C 52 ARG HGx C 52 ARG HDx 1.0 1.720 3.288 851 668 C 52 ARG HGx C 52 ARG HDy 1.0 1.720 3.288 852 669 C 54 ARG HBy C 54 ARG HA 1.0 1.635 2.947 853 669 C 54 ARG HA C 54 ARG HBx 1.0 1.635 2.947 854 670 C 54 ARG HGx C 54 ARG HDx 1.0 1.658 3.034 855 670 C 54 ARG HDx C 54 ARG HGy 1.0 1.658 3.034 856 671 C 54 ARG HGx C 54 ARG HDy 1.0 1.645 2.985 857 671 C 54 ARG HDy C 54 ARG HGy 1.0 1.645 2.985 858 672 C 55 SER HA C 55 SER HB3 1.0 1.638 2.960 859 672 C 55 SER HA C 55 SER HB2 1.0 1.638 2.960 860 673 C 54 ARG HGy C 55 SER HA 1.0 1.962 4.936 861 673 C 54 ARG HGx C 55 SER HA 1.0 1.962 4.936 862 674 C 56 CYS HBy C 55 SER HB3 1.0 1.976 6.898 863 674 C 56 CYS HBy C 55 SER HB2 1.0 1.976 6.898 864 675 C 56 CYS HBx C 57 SER HA 1.0 1.801 3.675 865 675 C 52 ARG HDx C 57 SER HA 1.0 1.801 3.675 866 675 C 57 SER HA C 52 ARG HDy 1.0 1.801 3.675 867 676 C 57 SER HA C 52 ARG HBy 1.0 1.807 3.709 868 676 C 57 SER HA C 52 ARG HBx 1.0 1.807 3.709 869 677 C 57 SER HA C 57 SER HBx 1.0 1.733 3.347 870 677 C 57 SER HBy C 57 SER HA 1.0 1.733 3.347 871 678 C 52 ARG HBy C 57 SER HBx 1.0 1.867 4.069 872 678 C 57 SER HBy C 52 ARG HBy 1.0 1.867 4.069 873 678 C 57 SER HBy C 52 ARG HBx 1.0 1.867 4.069 874 678 C 52 ARG HBx C 57 SER HBx 1.0 1.867 4.069 875 679 C 40 PHE HEy C 57 SER HBy 1.0 1.999 5.801 876 679 C 40 PHE HEx C 57 SER HBy 1.0 1.999 5.801 877 679 C 40 PHE HEx C 57 SER HBx 1.0 1.999 5.801 878 679 C 40 PHE HEy C 57 SER HBx 1.0 1.999 5.801 879 680 C 40 PHE HZ C 57 SER HBy 1.0 1.927 4.543 880 680 C 40 PHE HZ C 57 SER HBx 1.0 1.927 4.543 881 681 C 59 ASP HBx C 59 ASP HA 1.0 1.682 3.130 882 681 C 59 ASP HA C 59 ASP HBy 1.0 1.682 3.130 883 682 C 60 VAL HB C 60 VAL HGx% 1.0 1.575 2.737 884 682 C 60 VAL HB C 60 VAL HGy% 1.0 1.575 2.737 885 683 C 62 PRO HBx C 62 PRO HA 1.0 1.609 2.855 886 683 C 11 PRO HBx C 11 PRO HA 1.0 1.609 2.855 887 683 C 64 PRO HA C 64 PRO HBy 1.0 1.609 2.855 888 684 C 10 ALA HA C 10 ALA HB% 1.0 1.554 2.668 889 684 C 63 ALA HA C 63 ALA HB% 1.0 1.554 2.668 890 685 C 62 PRO HBy C 62 PRO HBx 1.0 1.284 1.930 891 685 C 64 PRO HBy C 64 PRO HBx 1.0 1.284 1.930 892 685 C 11 PRO HBx C 11 PRO HBy 1.0 1.284 1.930 893 686 C 64 PRO HDy C 64 PRO HBy 1.0 1.926 4.536 894 686 C 62 PRO HBx C 62 PRO HDy 1.0 1.926 4.536 895 686 C 62 PRO HDx C 62 PRO HBx 1.0 1.926 4.536 896 686 C 64 PRO HBy C 64 PRO HDx 1.0 1.926 4.536 897 686 C 11 PRO HBx C 11 PRO HDy 1.0 1.926 4.536 898 687 C 11 PRO HDy C 11 PRO HBy 1.0 1.911 4.395 899 687 C 64 PRO HDy C 64 PRO HBx 1.0 1.911 4.395 900 687 C 62 PRO HBy C 62 PRO HDy 1.0 1.911 4.395 901 688 C 64 PRO HBy C 64 PRO HDx 1.0 1.999 5.875 902 688 C 11 PRO HBx C 11 PRO HDx 1.0 1.999 5.875 903 689 C 65 VAL HA C 65 VAL HGy% 1.0 1.853 3.973 904 689 C 65 VAL HA C 65 VAL HGx% 1.0 1.853 3.973 905 690 C 7 GLN HA C 7 GLN HG3 1.0 1.919 4.469 906 690 C 7 GLN HA C 7 GLN HG2 1.0 1.919 4.469 907 691 C 19 GLY HAx C 14 ARG HDy 1.0 1.999 6.185 908 691 C 19 GLY HAx C 14 ARG HDx 1.0 1.999 6.185 909 692 C 52 ARG HGy C 50 GLY HAx 1.0 1.986 5.342 910 692 C 52 ARG HGy C 50 GLY HAy 1.0 1.986 5.342 911 693 C 49 THR HG2% C 48 GLY HA2 1.0 1.938 4.646 912 693 C 49 THR HG2% C 48 GLY HA3 1.0 1.938 4.646 913 694 C 33 ALA HB% C 26 ARG HA 1.0 1.979 5.207 914 694 C 34 PHE HA C 33 ALA HB% 1.0 1.979 5.207 915 695 C 18 CYS HBy C 17 VAL HGx% 1.0 1.983 5.289 916 695 C 17 VAL HGx% C 38 CYS HBy 1.0 1.983 5.289 917 696 C 32 ALA HB% C 32 ALA H 1.0 1.706 3.228 918 696 C 27 CYS H C 32 ALA HB% 1.0 1.706 3.228 919 697 C 16 GLY H C 16 GLY HAx 1.0 1.767 3.499 920 697 C 16 GLY HAy C 16 GLY H 1.0 1.767 3.499 921 698 C 56 CYS H C 55 SER HB3 1.0 1.748 3.414 922 698 C 56 CYS H C 55 SER HB2 1.0 1.748 3.414 923 699 C 52 ARG HGy C 53 CYS H 1.0 1.999 6.113 924 699 C 52 ARG HGy C 28 THR H 1.0 1.999 6.113 925 700 C 36 TRP HD1 C 37 ARG HDx 1.0 1.993 6.481 926 700 C 36 TRP HD1 C 37 ARG HDy 1.0 1.993 6.481 927 701 C 27 CYS HA C 34 PHE HZ 1.0 1.834 3.858 928 701 C 34 PHE HEx C 27 CYS HA 1.0 1.834 3.858 929 701 C 34 PHE HEy C 27 CYS HA 1.0 1.834 3.858 930 702 C 51 LEU HDy% C 34 PHE HZ 1.0 1.940 4.678 931 702 C 34 PHE HEx C 51 LEU HDy% 1.0 1.940 4.678 932 702 C 34 PHE HEy C 51 LEU HDy% 1.0 1.940 4.678 933 703 C 34 PHE HEy C 51 LEU HDx% 1.0 1.775 3.545 934 703 C 51 LEU HDx% C 34 PHE HZ 1.0 1.775 3.545 935 703 C 34 PHE HEx C 51 LEU HDx% 1.0 1.775 3.545 936 704 C 25 LEU HBx C 34 PHE HZ 1.0 1.894 4.268 937 704 C 34 PHE HEx C 25 LEU HBx 1.0 1.894 4.268 938 704 C 34 PHE HEy C 25 LEU HBx 1.0 1.894 4.268 939 705 C 34 PHE HZ C 25 LEU HDx% 1.0 1.999 5.897 940 705 C 34 PHE HEy C 25 LEU HDy% 1.0 1.999 5.897 941 705 C 34 PHE HEy C 25 LEU HDx% 1.0 1.999 5.897 942 705 C 34 PHE HEx C 25 LEU HDx% 1.0 1.999 5.897 943 705 C 34 PHE HEx C 25 LEU HDy% 1.0 1.999 5.897 944 706 C 34 PHE HZ C 51 LEU HG 1.0 1.949 4.773 945 706 C 34 PHE HEx C 51 LEU HG 1.0 1.949 4.773 946 706 C 34 PHE HEy C 51 LEU HG 1.0 1.949 4.773 947 707 C 36 TRP HZ3 C 34 PHE HZ 1.0 1.956 4.860 948 707 C 34 PHE HEx C 36 TRP HZ3 1.0 1.956 4.860 949 707 C 34 PHE HEy C 36 TRP HZ3 1.0 1.956 4.860 950 708 C 36 TRP HZ2 C 47 PRO HA 1.0 1.997 6.307 951 708 C 45 SER HA C 36 TRP HZ2 1.0 1.997 6.307 952 709 C 53 CYS HBy C 34 PHE HEx 1.0 1.964 7.116 953 709 C 53 CYS HBy C 34 PHE HEy 1.0 1.964 7.116 954 709 C 53 CYS HBy C 34 PHE HZ 1.0 1.964 7.116 955 710 C 36 TRP HBy C 36 TRP HE1 1.0 1.979 6.841 956 710 C 36 TRP HBx C 36 TRP HE1 1.0 1.979 6.841 957 711 C 52 ARG HA C 34 PHE HZ 1.0 1.992 5.498 958 711 C 34 PHE HEx C 52 ARG HA 1.0 1.992 5.498 959 711 C 34 PHE HEy C 52 ARG HA 1.0 1.992 5.498 960 712 C 4 GLU H C 4 GLU HBx 1.0 1.828 3.828 961 712 C 4 GLU H C 4 GLU HBy 1.0 1.828 3.828 962 713 C 5 GLY H C 4 GLU HBx 1.0 1.982 5.258 963 713 C 5 GLY H C 4 GLU HBy 1.0 1.982 5.258 964 714 C 6 GLN H C 5 GLY HA3 1.0 1.772 3.528 965 714 C 5 GLY HAx C 6 GLN H 1.0 1.772 3.528 966 715 C 6 GLN H C 6 GLN HG3 1.0 1.896 4.276 967 715 C 6 GLN H C 6 GLN HG2 1.0 1.896 4.276 968 716 C 6 GLN H C 7 GLN HBy 1.0 1.964 4.964 969 716 C 6 GLN H C 7 GLN HBx 1.0 1.964 4.964 970 717 C 7 GLN H C 7 GLN HG3 1.0 1.892 4.246 971 717 C 7 GLN H C 7 GLN HG2 1.0 1.892 4.246 972 718 C 7 GLN H C 7 GLN HBx 1.0 1.756 3.450 973 718 C 7 GLN H C 7 GLN HBy 1.0 1.756 3.450 974 719 C 8 ASN HBx C 8 ASN H 1.0 1.851 3.969 975 719 C 8 ASN HBy C 8 ASN H 1.0 1.851 3.969 976 720 C 8 ASN H C 7 GLN HG3 1.0 1.979 5.197 977 720 C 8 ASN H C 7 GLN HG2 1.0 1.979 5.197 978 721 C 8 ASN H C 7 GLN HBy 1.0 1.936 4.632 979 721 C 8 ASN H C 7 GLN HBx 1.0 1.936 4.632 980 722 C 8 ASN HBy C 9 LEU H 1.0 1.963 4.953 981 722 C 8 ASN HBx C 9 LEU H 1.0 1.963 4.953 982 723 C 9 LEU HDy% C 9 LEU H 1.0 1.971 5.075 983 723 C 9 LEU HDx% C 9 LEU H 1.0 1.971 5.075 984 724 C 10 ALA H C 11 PRO HDx 1.0 1.990 6.560 985 724 C 11 PRO HDy C 10 ALA H 1.0 1.990 6.560 986 725 C 12 GLY H C 12 GLY HA3 1.0 1.755 3.445 987 725 C 12 GLY H C 12 GLY HA2 1.0 1.755 3.445 988 726 C 13 ALA H C 12 GLY HA3 1.0 1.673 3.093 989 726 C 13 ALA H C 12 GLY HA2 1.0 1.673 3.093 990 727 C 14 ARG HBy C 14 ARG H 1.0 1.731 3.335 991 727 C 14 ARG HBx C 14 ARG H 1.0 1.731 3.335 992 728 C 15 CYS HA C 16 GLY H 1.0 1.725 3.309 993 728 C 16 GLY HAy C 16 GLY H 1.0 1.725 3.309 994 729 C 17 VAL HA C 17 VAL H 1.0 1.721 3.293 995 729 C 16 GLY HAy C 17 VAL H 1.0 1.721 3.293 996 729 C 17 VAL H C 16 GLY HAx 1.0 1.721 3.293 997 730 C 17 VAL HGx% C 18 CYS H 1.0 1.899 4.299 998 730 C 17 VAL HGy% C 18 CYS H 1.0 1.899 4.299 999 731 C 17 VAL HGx% C 19 GLY H 1.0 1.961 7.151 1000 731 C 17 VAL HGy% C 19 GLY H 1.0 1.961 7.151 1001 732 C 35 HIS HE1 C 20 ASP H 1.0 1.899 4.305 1002 732 C 15 CYS H C 20 ASP H 1.0 1.899 4.305 1003 733 C 25 LEU H C 25 LEU HDy% 1.0 1.825 3.809 1004 733 C 25 LEU H C 25 LEU HDx% 1.0 1.825 3.809 1005 734 C 26 ARG H C 25 LEU HDx% 1.0 1.934 4.616 1006 734 C 26 ARG H C 25 LEU HDy% 1.0 1.934 4.616 1007 735 C 26 ARG HBy C 26 ARG H 1.0 1.714 3.264 1008 735 C 26 ARG HBx C 26 ARG H 1.0 1.714 3.264 1009 736 C 28 THR HB C 29 HIS H 1.0 1.867 4.067 1010 736 C 28 THR HA C 29 HIS H 1.0 1.867 4.067 1011 737 C 34 PHE H C 26 ARG HD2 1.0 1.929 7.587 1012 737 C 34 PHE H C 26 ARG HD3 1.0 1.929 7.587 1013 738 C 36 TRP HBy C 36 TRP H 1.0 1.566 2.708 1014 738 C 36 TRP HBx C 36 TRP H 1.0 1.566 2.708 1015 739 C 35 HIS HBy C 37 ARG H 1.0 1.634 2.942 1016 739 C 37 ARG H C 36 TRP HBy 1.0 1.634 2.942 1017 740 C 38 CYS H C 37 ARG HBy 1.0 1.905 4.351 1018 740 C 37 ARG HBx C 38 CYS H 1.0 1.905 4.351 1019 741 C 39 HIS HA C 39 HIS H 1.0 1.792 3.630 1020 741 C 38 CYS HA C 39 HIS H 1.0 1.792 3.630 1021 742 C 17 VAL HGx% C 39 HIS H 1.0 2.000 6.028 1022 742 C 17 VAL HGy% C 39 HIS H 1.0 2.000 6.028 1023 743 C 41 PRO HBy C 42 ALA H 1.0 1.829 3.835 1024 743 C 42 ALA H C 41 PRO HGy 1.0 1.829 3.835 1025 744 C 41 PRO HDy C 42 ALA H 1.0 1.955 4.835 1026 744 C 41 PRO HDx C 42 ALA H 1.0 1.955 4.835 1027 745 C 45 SER H C 45 SER HBx 1.0 1.814 3.748 1028 745 C 45 SER HBy C 45 SER H 1.0 1.814 3.748 1029 746 C 46 ARG H C 45 SER HBx 1.0 1.865 4.059 1030 746 C 45 SER HBy C 46 ARG H 1.0 1.865 4.059 1031 747 C 46 ARG H C 46 ARG HD3 1.0 1.937 7.481 1032 747 C 46 ARG H C 46 ARG HD2 1.0 1.937 7.481 1033 748 C 50 GLY H C 50 GLY HAy 1.0 1.669 3.075 1034 748 C 50 GLY H C 50 GLY HAx 1.0 1.669 3.075 1035 749 C 51 LEU H C 50 GLY HAy 1.0 1.613 2.867 1036 749 C 51 LEU H C 50 GLY HAx 1.0 1.613 2.867 1037 750 C 51 LEU HBx C 51 LEU H 1.0 1.524 2.572 1038 750 C 51 LEU HBy C 51 LEU H 1.0 1.524 2.572 1039 751 C 52 ARG HGx C 52 ARG H 1.0 1.798 3.662 1040 751 C 51 LEU HBx C 52 ARG H 1.0 1.798 3.662 1041 751 C 51 LEU HBy C 52 ARG H 1.0 1.798 3.662 1042 752 C 52 ARG HDx C 52 ARG H 1.0 1.991 6.541 1043 752 C 52 ARG H C 52 ARG HDy 1.0 1.991 6.541 1044 753 C 52 ARG H C 50 GLY HAy 1.0 2.000 5.996 1045 753 C 52 ARG H C 50 GLY HAx 1.0 2.000 5.996 1046 754 C 53 CYS H C 52 ARG HBx 1.0 1.799 3.669 1047 754 C 53 CYS H C 52 ARG HBy 1.0 1.799 3.669 1048 755 C 34 PHE HEy C 53 CYS H 1.0 2.000 5.918 1049 755 C 34 PHE HZ C 53 CYS H 1.0 2.000 5.918 1050 755 C 34 PHE HEx C 53 CYS H 1.0 2.000 5.918 1051 756 C 53 CYS H C 57 SER H 1.0 1.992 5.488 1052 756 C 53 CYS H C 56 CYS H 1.0 1.992 5.488 1053 757 C 54 ARG HBy C 54 ARG H 1.0 1.647 2.991 1054 757 C 54 ARG HGx C 54 ARG H 1.0 1.647 2.991 1055 758 C 54 ARG HGx C 55 SER H 1.0 1.917 4.455 1056 758 C 54 ARG HGy C 55 SER H 1.0 1.917 4.455 1057 759 C 56 CYS HBx C 57 SER H 1.0 1.855 3.987 1058 759 C 56 CYS HBy C 57 SER H 1.0 1.855 3.987 1059 760 C 57 SER H C 52 ARG HBy 1.0 1.922 4.504 1060 760 C 57 SER H C 52 ARG HBx 1.0 1.922 4.504 1061 761 C 58 GLY H C 58 GLY HAy 1.0 1.677 3.107 1062 761 C 58 GLY H C 58 GLY HAx 1.0 1.677 3.107 1063 762 C 59 ASP H C 58 GLY HAx 1.0 1.715 3.265 1064 762 C 59 ASP H C 58 GLY HAy 1.0 1.715 3.265 1065 763 C 59 ASP HBx C 59 ASP H 1.0 1.769 3.515 1066 763 C 59 ASP HBy C 59 ASP H 1.0 1.769 3.515 1067 764 C 60 VAL H C 60 VAL HGx% 1.0 1.740 3.374 1068 764 C 60 VAL HGy% C 60 VAL H 1.0 1.740 3.374 1069 765 C 61 THR H C 60 VAL HGx% 1.0 1.888 4.218 1070 765 C 60 VAL HGy% C 61 THR H 1.0 1.888 4.218 1071 766 C 66 GLU H C 66 GLU HBy 1.0 1.878 4.150 1072 766 C 66 GLU H C 66 GLU HBx 1.0 1.878 4.150 1073 767 C 4 GLU HBx C 3 MET H 1.0 1.934 7.526 1074 767 C 4 GLU HBy C 3 MET H 1.0 1.934 7.526 1075 768 C 14 ARG HBy C 15 CYS H 1.0 1.970 5.042 1076 768 C 14 ARG HGy C 15 CYS H 1.0 1.970 5.042 1077 769 C 57 SER HBy C 53 CYS H 1.0 1.996 5.656 1078 769 C 53 CYS H C 57 SER HBx 1.0 1.996 5.656 1079 770 C 37 ARG H C 37 ARG HBy 1.0 1.556 2.674 1080 770 C 37 ARG HGx C 37 ARG H 1.0 1.556 2.674 1081 770 C 37 ARG H C 37 ARG HBx 1.0 1.556 2.674 1082 771 C 20 ASP HBx C 19 GLY H 1.0 1.999 6.163 1083 771 C 18 CYS HBx C 19 GLY H 1.0 1.999 6.163 1084 772 C 57 SER H C 57 SER HBx 1.0 1.612 2.864 1085 772 C 57 SER HBy C 57 SER H 1.0 1.612 2.864 1086 773 C 17 VAL HGx% C 38 CYS H 1.0 1.792 8.788 1087 773 C 17 VAL HGy% C 38 CYS H 1.0 1.792 8.788 1088 774 C 34 PHE HZ C 54 ARG H 1.0 1.998 6.278 1089 774 C 34 PHE HEx C 54 ARG H 1.0 1.998 6.278 1090 774 C 34 PHE HEy C 54 ARG H 1.0 1.998 6.278 1091 775 C 15 CYS H C 14 ARG HDy 1.0 1.801 8.725 1092 775 C 15 CYS H C 14 ARG HDx 1.0 1.801 8.725 1093 776 C 34 PHE HZ C 52 ARG H 1.0 1.966 4.984 1094 776 C 34 PHE HEx C 52 ARG H 1.0 1.966 4.984 1095 776 C 34 PHE HEy C 52 ARG H 1.0 1.966 4.984 1096 777 C 47 PRO HDx C 36 TRP HE1 1.0 1.997 5.691 1097 777 C 47 PRO HDy C 36 TRP HE1 1.0 1.997 5.691 1098 778 C 36 TRP HE1 C 46 ARG HD3 1.0 2.000 6.148 1099 778 C 36 TRP HE1 C 46 ARG HD2 1.0 2.000 6.148 1100 779 C 8 ASN HBy C 8 ASN HD2y 1.0 1.874 4.116 1101 779 C 8 ASN HBx C 8 ASN HD2y 1.0 1.874 4.116 1102 780 C 26 ARG HD3 C 26 ARG HE 1.0 1.962 4.938 1103 780 C 26 ARG HD2 C 26 ARG HE 1.0 1.962 4.938 1104 781 C 26 ARG HBx C 26 ARG HE 1.0 1.971 5.055 1105 781 C 26 ARG HGx C 26 ARG HE 1.0 1.971 5.055 1106 782 C 54 ARG HGy C 54 ARG HE 1.0 1.888 4.214 1107 782 C 54 ARG HGx C 54 ARG HE 1.0 1.888 4.214 1108 783 C 37 ARG HDy C 37 ARG HE 1.0 1.973 5.093 1109 783 C 37 ARG HDx C 37 ARG HE 1.0 1.973 5.093 1110 784 C 37 ARG HGx C 37 ARG HE 1.0 1.999 5.895 1111 784 C 37 ARG HBy C 37 ARG HE 1.0 1.999 5.895 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _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 17 VAL C C 18 CYS N C 18 CYS CA C 18 CYS C 1.0 -150.00 -90.00 PHI 2 2 C 23 ASP C C 24 VAL N C 24 VAL CA C 24 VAL C 1.0 -150.00 -90.00 PHI 3 3 C 28 THR C C 29 HIS N C 29 HIS CA C 29 HIS C 1.0 -150.00 -90.00 PHI 4 4 C 29 HIS C C 30 CYS N C 30 CYS CA C 30 CYS C 1.0 -150.00 -90.00 PHI 5 5 C 29 HIS C C 30 CYS N C 30 CYS CA C 30 CYS C 1.0 -165.93 -111.69 PHI 6 6 C 30 CYS C C 31 ALA N C 31 ALA CA C 31 ALA C 1.0 -150.00 -90.00 PHI 7 7 C 30 CYS C C 31 ALA N C 31 ALA CA C 31 ALA C 1.0 -103.50 -40.50 PHI 8 8 C 38 CYS C C 39 HIS N C 39 HIS CA C 39 HIS C 1.0 -150.00 -90.00 PHI 9 9 C 39 HIS C C 40 PHE N C 40 PHE CA C 40 PHE C 1.0 -150.00 -90.00 PHI 10 10 C 44 THR C C 45 SER N C 45 SER CA C 45 SER C 1.0 -150.00 -90.00 PHI 11 11 C 48 GLY C C 49 THR N C 49 THR CA C 49 THR C 1.0 -150.00 -90.00 PHI 12 12 C 58 GLY C C 59 ASP N C 59 ASP CA C 59 ASP C 1.0 -150.00 -90.00 PHI 13 13 C 59 ASP C C 60 VAL N C 60 VAL CA C 60 VAL C 1.0 -150.00 -90.00 PHI 14 14 C 64 PRO C C 65 VAL N C 65 VAL CA C 65 VAL C 1.0 -150.00 -90.00 PHI 15 15 C 65 VAL C C 66 GLU N C 66 GLU CA C 66 GLU C 1.0 -150.00 -90.00 PHI 16 16 C 9 LEU C C 10 ALA N C 10 ALA CA C 10 ALA C 1.0 -93.50 -60.50 PHI 17 17 C 10 ALA C C 11 PRO N C 11 PRO CA C 11 PRO C 1.0 -70.50 -49.50 PHI 18 18 C 12 GLY C C 13 ALA N C 13 ALA CA C 13 ALA C 1.0 -161.00 13.00 PHI 19 19 C 13 ALA C C 14 ARG N C 14 ARG CA C 14 ARG C 1.0 -169.50 -94.50 PHI 20 20 C 14 ARG C C 15 CYS N C 15 CYS CA C 15 CYS C 1.0 -120.50 -51.50 PHI 21 21 C 16 GLY C C 17 VAL N C 17 VAL CA C 17 VAL C 1.0 -115.00 -61.00 PHI 22 22 C 19 GLY C C 20 ASP N C 20 ASP CA C 20 ASP C 1.0 -153.50 -78.50 PHI 23 23 C 21 GLY C C 22 THR N C 22 THR CA C 22 THR C 1.0 -80.00 -44.00 PHI 24 24 C 24 VAL C C 25 LEU N C 25 LEU CA C 25 LEU C 1.0 -136.00 -46.00 PHI 25 25 C 25 LEU C C 26 ARG N C 26 ARG CA C 26 ARG C 1.0 -136.50 -97.50 PHI 26 26 C 26 ARG C C 27 CYS N C 27 CYS CA C 27 CYS C 1.0 -97.00 -55.00 PHI 27 27 C 31 ALA C C 32 ALA N C 32 ALA CA C 32 ALA C 1.0 -185.25 35.25 PHI 28 28 C 32 ALA C C 33 ALA N C 33 ALA CA C 33 ALA C 1.0 -140.00 -80.00 PHI 29 29 C 33 ALA C C 34 PHE N C 34 PHE CA C 34 PHE C 1.0 -172.00 -112.00 PHI 30 30 C 34 PHE C C 35 HIS N C 35 HIS CA C 35 HIS C 1.0 -131.00 -47.00 PHI 31 31 C 35 HIS C C 36 TRP N C 36 TRP CA C 36 TRP C 1.0 -68.00 -44.00 PHI 32 32 C 36 TRP C C 37 ARG N C 37 ARG CA C 37 ARG C 1.0 -76.50 -55.50 PHI 33 33 C 37 ARG C C 38 CYS N C 38 CYS CA C 38 CYS C 1.0 -92.00 -50.00 PHI 34 34 C 41 PRO C C 42 ALA N C 42 ALA CA C 42 ALA C 1.0 -85.00 -43.00 PHI 35 35 C 43 GLY C C 44 THR N C 44 THR CA C 44 THR C 1.0 -140.00 -62.00 PHI 36 36 C 45 SER C C 46 ARG N C 46 ARG CA C 46 ARG C 1.0 -123.50 -54.50 PHI 37 37 C 46 ARG C C 47 PRO N C 47 PRO CA C 47 PRO C 1.0 -70.50 -49.50 PHI 38 38 C 50 GLY C C 51 LEU N C 51 LEU CA C 51 LEU C 1.0 -90.00 -60.00 PHI 39 39 C 51 LEU C C 52 ARG N C 52 ARG CA C 52 ARG C 1.0 -164.00 -86.00 PHI 40 40 C 52 ARG C C 53 CYS N C 53 CYS CA C 53 CYS C 1.0 -100.50 -73.50 PHI 41 41 C 53 CYS C C 54 ARG N C 54 ARG CA C 54 ARG C 1.0 -80.50 -41.50 PHI 42 42 C 54 ARG C C 55 SER N C 55 SER CA C 55 SER C 1.0 -68.50 -59.50 PHI 43 43 C 55 SER C C 56 CYS N C 56 CYS CA C 56 CYS C 1.0 -71.50 -56.50 PHI 44 44 C 56 CYS C C 57 SER N C 57 SER CA C 57 SER C 1.0 -109.50 -76.50 PHI 45 45 C 60 VAL C C 61 THR N C 61 THR CA C 61 THR C 1.0 -121.00 -55.00 PHI 46 46 C 61 THR C C 62 PRO N C 62 PRO CA C 62 PRO C 1.0 -84.50 -51.50 PHI 47 47 C 62 PRO C C 63 ALA N C 63 ALA CA C 63 ALA C 1.0 -109.50 -58.50 PHI 48 48 C 10 ALA N C 10 ALA CA C 10 ALA C C 11 PRO N 1.0 124.00 166.00 PSI 49 49 C 13 ALA N C 13 ALA CA C 13 ALA C C 14 ARG N 1.0 75.50 186.50 PSI 50 50 C 14 ARG N C 14 ARG CA C 14 ARG C C 15 CYS N 1.0 103.50 166.50 PSI 51 51 C 15 CYS N C 15 CYS CA C 15 CYS C C 16 GLY N 1.0 106.50 157.50 PSI 52 52 C 17 VAL N C 17 VAL CA C 17 VAL C C 18 CYS N 1.0 -52.50 -13.50 PSI 53 53 C 20 ASP N C 20 ASP CA C 20 ASP C C 21 GLY N 1.0 112.50 163.50 PSI 54 54 C 22 THR N C 22 THR CA C 22 THR C C 23 ASP N 1.0 117.00 135.00 PSI 55 55 C 25 LEU N C 25 LEU CA C 25 LEU C C 26 ARG N 1.0 144.50 165.50 PSI 56 56 C 26 ARG N C 26 ARG CA C 26 ARG C C 27 CYS N 1.0 120.00 156.00 PSI 57 57 C 27 CYS N C 27 CYS CA C 27 CYS C C 28 THR N 1.0 116.00 146.00 PSI 58 58 C 30 CYS N C 30 CYS CA C 30 CYS C C 31 ALA N 1.0 -191.59 -141.95 PSI 59 59 C 31 ALA N C 31 ALA CA C 31 ALA C C 32 ALA N 1.0 116.00 158.00 PSI 60 60 C 32 ALA N C 32 ALA CA C 32 ALA C C 33 ALA N 1.0 90.13 200.49 PSI 61 61 C 33 ALA N C 33 ALA CA C 33 ALA C C 34 PHE N 1.0 113.00 179.00 PSI 62 62 C 34 PHE N C 34 PHE CA C 34 PHE C C 35 HIS N 1.0 144.00 192.00 PSI 63 63 C 35 HIS N C 35 HIS CA C 35 HIS C C 36 TRP N 1.0 106.00 160.00 PSI 64 64 C 36 TRP N C 36 TRP CA C 36 TRP C C 37 ARG N 1.0 -53.00 -23.00 PSI 65 65 C 37 ARG N C 37 ARG CA C 37 ARG C C 38 CYS N 1.0 -48.00 -6.00 PSI 66 66 C 38 CYS N C 38 CYS CA C 38 CYS C C 39 HIS N 1.0 -56.50 -23.50 PSI 67 67 C 42 ALA N C 42 ALA CA C 42 ALA C C 43 GLY N 1.0 -53.50 3.50 PSI 68 68 C 44 THR N C 44 THR CA C 44 THR C C 45 SER N 1.0 96.50 171.50 PSI 69 69 C 46 ARG N C 46 ARG CA C 46 ARG C C 47 PRO N 1.0 111.50 168.50 PSI 70 70 C 47 PRO N C 47 PRO CA C 47 PRO C C 48 GLY N 1.0 133.00 163.00 PSI 71 71 C 51 LEU N C 51 LEU CA C 51 LEU C C 52 ARG N 1.0 124.00 160.00 PSI 72 72 C 52 ARG N C 52 ARG CA C 52 ARG C C 53 CYS N 1.0 117.00 177.00 PSI 73 73 C 53 CYS N C 53 CYS CA C 53 CYS C C 54 ARG N 1.0 148.00 190.00 PSI 74 74 C 54 ARG N C 54 ARG CA C 54 ARG C C 55 SER N 1.0 -52.50 -31.50 PSI 75 75 C 55 SER N C 55 SER CA C 55 SER C C 56 CYS N 1.0 -57.00 -27.00 PSI 76 76 C 56 CYS N C 56 CYS CA C 56 CYS C C 57 SER N 1.0 -54.00 -18.00 PSI 77 77 C 57 SER N C 57 SER CA C 57 SER C C 58 GLY N 1.0 -13.50 19.50 PSI 78 78 C 61 THR N C 61 THR CA C 61 THR C C 62 PRO N 1.0 106.00 160.00 PSI 79 79 C 62 PRO N C 62 PRO CA C 62 PRO C C 63 ALA N 1.0 134.50 161.50 PSI 80 80 C 63 ALA N C 63 ALA CA C 63 ALA C C 64 PRO N 1.0 117.00 171.00 PSI stop_ save_