data_nef_c25238_2mv1 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 PDB 6RLX PDB 2FHW PDB 2MV1 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 11 CYS SG 2 11 CYS SG 1 23 CYS SG 2 24 CYS SG 2 10 CYS SG 2 15 CYS SG 2 1 PCA C 2 2 LEU N 1 29 SER C 1 30 NH2 N 2 24 CYS C 2 25 NH2 N 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 ASP start . . 2 B 2 SER middle . . 3 B 3 TRP middle . . 4 B 4 MET middle . . 5 B 5 GLU middle . . 6 B 6 GLU middle . . 7 B 7 VAL middle . . 8 B 8 ILE middle . . 9 B 9 LYS middle . . 10 B 10 LEU middle . . 11 B 11 CYS middle -HG . 12 B 12 GLY middle . false 13 B 13 ARG middle . . 14 B 14 GLU middle . . 15 B 15 LEU middle . . 16 B 16 VAL middle . . 17 B 17 ARG middle . . 18 B 18 ALA middle . . 19 B 19 GLN middle . . 20 B 20 ILE middle . . 21 B 21 ALA middle . . 22 B 22 ILE middle . . 23 B 23 CYS middle -HG . 24 B 24 GLY middle . false 25 B 25 MET middle . . 26 B 26 SER middle . . 27 B 27 THR middle . . 28 B 28 TRP middle . . 29 B 29 SER middle -OXT . 30 B 30 NH2 end . . 31 A 1 PCA start -OXT . 32 A 2 LEU middle -H2 . 33 A 3 TYR middle . . 34 A 4 SER middle . . 35 A 5 ALA middle . . 36 A 6 LEU middle . . 37 A 7 ALA middle . . 38 A 8 ASN middle . . 39 A 9 LYS middle . . 40 A 10 CYS middle -HG . 41 A 11 CYS middle -HG . 42 A 12 HIS middle . . 43 A 13 VAL middle . . 44 A 14 GLY middle . false 45 A 15 CYS middle -HG . 46 A 16 THR middle . . 47 A 17 LYS middle . . 48 A 18 ARG middle . . 49 A 19 SER middle . . 50 A 20 LEU middle . . 51 A 21 ALA middle . . 52 A 22 ARG middle . . 53 A 23 PHE middle . . 54 A 24 CYS middle -HG,-OXT . 55 A 25 NH2 end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty B 1 ASP HA H 1 4.334 0.01 B 1 ASP HBx H 1 2.808 0.01 B 1 ASP HBy H 1 2.871 0.01 B 1 ASP CA C 13 52.822 0.1 B 2 SER H H 1 8.842 0.01 B 2 SER HA H 1 4.607 0.01 B 2 SER HBx H 1 3.759 0.01 B 2 SER HBy H 1 3.929 0.01 B 2 SER CA C 13 57.930 0.1 B 2 SER CB C 13 63.461 0.1 B 3 TRP H H 1 8.366 0.01 B 3 TRP HA H 1 4.430 0.01 B 3 TRP HBx H 1 3.297 0.01 B 3 TRP HBy H 1 3.420 0.01 B 3 TRP HD1 H 1 7.473 0.01 B 3 TRP HE1 H 1 10.314 0.01 B 3 TRP HE3 H 1 7.372 0.01 B 3 TRP HH2 H 1 7.158 0.01 B 3 TRP HZ2 H 1 7.491 0.01 B 3 TRP CA C 13 58.797 0.1 B 3 TRP CB C 13 28.185 0.1 B 5 GLU H H 1 7.520 0.01 B 5 GLU HA H 1 4.348 0.01 B 5 GLU HBx H 1 1.961 0.01 B 5 GLU HBy H 1 2.309 0.01 B 5 GLU HGx H 1 2.380 0.01 B 5 GLU HGy H 1 2.380 0.01 B 5 GLU CA C 13 55.284 0.1 B 6 GLU H H 1 7.449 0.01 B 6 GLU HA H 1 4.151 0.01 B 6 GLU HBx H 1 2.045 0.01 B 6 GLU HBy H 1 2.117 0.01 B 6 GLU HGx H 1 2.494 0.01 B 6 GLU HGy H 1 2.662 0.01 B 6 GLU CA C 13 56.333 0.1 B 7 VAL H H 1 8.435 0.01 B 7 VAL HA H 1 4.214 0.01 B 7 VAL HB H 1 1.888 0.01 B 7 VAL HGx% H 1 0.917 0.01 B 7 VAL HGy% H 1 0.786 0.01 B 7 VAL CA C 13 61.977 0.1 B 8 ILE H H 1 9.040 0.01 B 8 ILE HA H 1 4.535 0.01 B 8 ILE HB H 1 1.794 0.01 B 8 ILE HD1% H 1 0.740 0.01 B 8 ILE HG2% H 1 0.812 0.01 B 8 ILE CA C 13 58.671 0.1 B 8 ILE CB C 13 41.003 0.1 B 8 ILE CD1 C 13 14.05 0.1 B 8 ILE CG2 C 13 14.768 0.1 B 9 LYS H H 1 8.365 0.01 B 9 LYS HA H 1 5.350 0.01 B 9 LYS HBx H 1 1.395 0.01 B 9 LYS HBy H 1 1.811 0.01 B 9 LYS HDx H 1 1.514 0.01 B 9 LYS HDy H 1 1.514 0.01 B 9 LYS HEx H 1 2.786 0.01 B 9 LYS HEy H 1 2.786 0.01 B 9 LYS HGx H 1 1.105 0.01 B 9 LYS HGy H 1 1.260 0.01 B 9 LYS HZ1 H 1 7.519 0.01 B 9 LYS HZ2 H 1 7.519 0.01 B 9 LYS HZ3 H 1 7.519 0.01 B 9 LYS CA C 13 55.154 0.1 B 9 LYS CB C 13 33.725 0.1 B 9 LYS CE C 13 41.841 0.1 B 9 LYS CG C 13 24.848 0.1 B 10 LEU H H 1 7.034 0.01 B 10 LEU HA H 1 4.714 0.01 B 10 LEU HBx H 1 1.085 0.01 B 10 LEU HBy H 1 1.331 0.01 B 10 LEU HDx% H 1 0.992 0.01 B 10 LEU HDy% H 1 0.809 0.01 B 10 LEU HG H 1 1.481 0.01 B 10 LEU CA C 13 53.229 0.1 B 10 LEU CB C 13 48.544 0.1 B 11 CYS H H 1 8.377 0.01 B 11 CYS HA H 1 4.966 0.01 B 11 CYS HBx H 1 2.977 0.01 B 11 CYS HBy H 1 3.203 0.01 B 11 CYS CA C 13 54.937 0.1 B 11 CYS CB C 13 49.359 0.1 B 12 GLY H H 1 8.738 0.01 B 12 GLY HAy H 1 4.122 0.01 B 12 GLY HAx H 1 3.899 0.01 B 12 GLY CA C 13 45.806 0.1 B 13 ARG H H 1 9.178 0.01 B 13 ARG HA H 1 4.040 0.01 B 13 ARG HBx H 1 1.924 0.01 B 13 ARG HBy H 1 1.924 0.01 B 13 ARG HDx H 1 3.233 0.01 B 13 ARG HDy H 1 3.233 0.01 B 13 ARG HE H 1 7.270 0.01 B 13 ARG HGx H 1 1.757 0.01 B 13 ARG HGy H 1 1.757 0.01 B 13 ARG CA C 13 58.438 0.1 B 14 GLU H H 1 8.202 0.01 B 14 GLU HA H 1 4.115 0.01 B 14 GLU HBx H 1 2.159 0.01 B 14 GLU HBy H 1 2.357 0.01 B 14 GLU HGx H 1 2.517 0.01 B 14 GLU HGy H 1 2.561 0.01 B 14 GLU CA C 13 58.998 0.1 B 15 LEU H H 1 7.043 0.01 B 15 LEU HA H 1 3.965 0.01 B 15 LEU HBx H 1 0.930 0.01 B 15 LEU HBy H 1 1.900 0.01 B 15 LEU HDx% H 1 0.927 0.01 B 15 LEU HDy% H 1 0.878 0.01 B 15 LEU HG H 1 1.595 0.01 B 15 LEU CA C 13 57.164 0.1 B 15 LEU CB C 13 40.062 0.1 B 15 LEU CDy C 13 18.899 0.1 B 16 VAL H H 1 7.377 0.01 B 16 VAL HA H 1 3.685 0.01 B 16 VAL HB H 1 2.135 0.01 B 16 VAL HGx% H 1 1.039 0.01 B 16 VAL HGy% H 1 0.963 0.01 B 16 VAL CA C 13 58.028 0.1 B 17 ARG H H 1 7.820 0.01 B 17 ARG HA H 1 3.954 0.01 B 17 ARG HBx H 1 1.853 0.01 B 17 ARG HBy H 1 1.906 0.01 B 17 ARG HDx H 1 3.209 0.01 B 17 ARG HDy H 1 3.209 0.01 B 17 ARG HE H 1 7.344 0.01 B 17 ARG HGx H 1 1.515 0.01 B 17 ARG HGy H 1 1.515 0.01 B 17 ARG CA C 13 59.304 0.1 B 18 ALA H H 1 7.729 0.01 B 18 ALA HA H 1 4.168 0.01 B 18 ALA HB% H 1 1.430 0.01 B 18 ALA CA C 13 54.742 0.1 B 18 ALA CB C 13 17.994 0.1 B 19 GLN H H 1 8.617 0.01 B 19 GLN HA H 1 3.848 0.01 B 19 GLN HBx H 1 2.144 0.01 B 19 GLN HBy H 1 2.401 0.01 B 19 GLN HE2y H 1 6.666 0.01 B 19 GLN HE2x H 1 6.588 0.01 B 19 GLN HGx H 1 2.232 0.01 B 19 GLN HGy H 1 2.232 0.01 B 19 GLN CA C 13 59.171 0.1 B 20 ILE H H 1 8.079 0.01 B 20 ILE HA H 1 3.639 0.01 B 20 ILE HB H 1 1.865 0.01 B 20 ILE HD1% H 1 0.907 0.01 B 20 ILE HG1x H 1 1.794 0.01 B 20 ILE HG1y H 1 1.794 0.01 B 20 ILE HG2% H 1 1.103 0.01 B 20 ILE CA C 13 64.962 0.1 B 20 ILE CB C 13 38.269 0.1 B 21 ALA H H 1 7.630 0.01 B 21 ALA HA H 1 4.147 0.01 B 21 ALA HB% H 1 1.505 0.01 B 21 ALA CA C 13 54.742 0.1 B 21 ALA CB C 13 17.824 0.1 B 22 ILE H H 1 8.356 0.01 B 22 ILE HA H 1 3.716 0.01 B 22 ILE HB H 1 2.005 0.01 B 22 ILE HD1% H 1 0.987 0.01 B 22 ILE HG1x H 1 2.008 0.01 B 22 ILE HG1y H 1 2.008 0.01 B 22 ILE HG2% H 1 1.265 0.01 B 22 ILE CA C 13 64.769 0.1 B 22 ILE CB C 13 38.571 0.1 B 23 CYS H H 1 8.501 0.01 B 23 CYS HA H 1 4.850 0.01 B 23 CYS HBx H 1 2.924 0.01 B 23 CYS HBy H 1 3.382 0.01 B 23 CYS CA C 13 54.909 0.1 B 24 GLY H H 1 8.088 0.01 B 24 GLY HAy H 1 3.961 0.01 B 24 GLY HAx H 1 3.822 0.01 B 24 GLY CA C 13 46.825 0.1 B 25 MET H H 1 7.712 0.01 B 25 MET HA H 1 4.403 0.01 B 25 MET HBx H 1 2.416 0.01 B 25 MET HBy H 1 2.416 0.01 B 25 MET HGx H 1 1.984 0.01 B 25 MET HGy H 1 1.984 0.01 B 25 MET CA C 13 55.772 0.1 B 26 SER H H 1 8.217 0.01 B 26 SER HA H 1 4.478 0.01 B 26 SER HBx H 1 3.791 0.01 B 26 SER HBy H 1 3.845 0.01 B 26 SER CA C 13 58.797 0.1 B 26 SER CB C 13 63.511 0.1 B 27 THR H H 1 7.935 0.01 B 27 THR HA H 1 4.324 0.01 B 27 THR HB H 1 4.174 0.01 B 27 THR HG2% H 1 1.133 0.01 B 27 THR CA C 13 61.945 0.1 B 27 THR CB C 13 69.47 0.1 B 27 THR CG2 C 13 21.262 0.1 B 28 TRP H H 1 8.098 0.01 B 28 TRP HA H 1 4.738 0.01 B 28 TRP HBx H 1 3.208 0.01 B 28 TRP HBy H 1 3.308 0.01 B 28 TRP HD1 H 1 7.289 0.01 B 28 TRP HE1 H 1 10.108 0.01 B 28 TRP HE3 H 1 7.619 0.01 B 28 TRP HH2 H 1 7.059 0.01 B 28 TRP HZ2 H 1 7.337 0.01 B 28 TRP CA C 13 57.327 0.1 B 28 TRP CB C 13 29.432 0.1 B 29 SER H H 1 7.991 0.01 B 29 SER HA H 1 4.293 0.01 B 29 SER HBy H 1 3.751 0.01 B 29 SER HBx H 1 3.652 0.01 B 29 SER CA C 13 57.817 0.1 B 29 SER CB C 13 63.644 0.1 A 1 PCA HA H 1 4.447 0.01 A 1 PCA HBy H 1 2.404 0.01 A 1 PCA HBx H 1 2.121 0.01 A 1 PCA HGy H 1 2.602 0.01 A 1 PCA HGx H 1 2.158 0.01 A 1 PCA CA C 13 59.309 0.1 A 1 PCA CB C 13 31.558 0.1 A 1 PCA CG C 13 27.817 0.1 A 2 LEU HA H 1 4.584 0.01 A 2 LEU HBy H 1 1.762 0.01 A 2 LEU HBx H 1 1.710 0.01 A 2 LEU HDx% H 1 0.978 0.1 A 2 LEU CA C 13 58.287 0.1 A 2 LEU CB C 13 42.435 0.1 A 3 TYR HA H 1 3.654 0.01 A 3 TYR HBy H 1 2.935 0.01 A 3 TYR HBx H 1 2.720 0.01 A 3 TYR HDx H 1 6.320 0.01 A 3 TYR HDy H 1 6.320 0.01 A 3 TYR HEx H 1 6.609 0.01 A 3 TYR HEy H 1 6.609 0.01 A 3 TYR CA C 13 66.270 0.1 A 4 SER HA H 1 4.149 0.01 A 4 SER HBy H 1 3.934 0.01 A 4 SER HBx H 1 3.886 0.01 A 4 SER CA C 13 61.716 0.1 A 4 SER CB C 13 61.268 0.1 A 5 ALA HA H 1 4.245 0.01 A 5 ALA HB% H 1 1.516 0.01 A 5 ALA CA C 13 54.507 0.1 A 5 ALA CB C 13 18.182 0.1 A 6 LEU HA H 1 4.196 0.01 A 6 LEU HBy H 1 1.595 0.01 A 6 LEU HBx H 1 1.435 0.01 A 6 LEU HDx% H 1 1.046 0.01 A 6 LEU HDy% H 1 0.939 0.01 A 6 LEU HG H 1 1.588 0.01 A 6 LEU CA C 13 57.112 0.1 A 6 LEU CB C 13 41.003 0.1 A 7 ALA HA H 1 3.501 0.01 A 7 ALA HB% H 1 1.091 0.01 A 7 ALA CA C 13 55.284 0.1 A 8 ASN HA H 1 4.403 0.01 A 8 ASN HBx H 1 2.866 0.01 A 8 ASN HBy H 1 2.866 0.01 A 8 ASN HD2y H 1 7.678 0.01 A 8 ASN HD2x H 1 7.018 0.01 A 8 ASN CA C 13 56.364 0.1 A 9 LYS HA H 1 4.253 0.01 A 9 LYS HBy H 1 2.174 0.01 A 9 LYS HBx H 1 2.078 0.01 A 9 LYS HDy H 1 1.775 0.01 A 9 LYS HDx H 1 1.739 0.01 A 9 LYS HEx H 1 3.054 0.01 A 9 LYS HEy H 1 3.054 0.01 A 9 LYS HGy H 1 1.583 0.01 A 9 LYS HGx H 1 1.521 0.01 A 9 LYS HZ1 H 1 7.672 0.01 A 9 LYS HZ2 H 1 7.672 0.01 A 9 LYS HZ3 H 1 7.672 0.01 A 9 LYS CA C 13 59.99 0.1 A 9 LYS CB C 13 32.289 0.1 A 10 CYS HA H 1 4.093 0.01 A 10 CYS HBy H 1 3.197 0.01 A 10 CYS HBx H 1 2.941 0.01 A 10 CYS CA C 13 57.536 0.1 A 10 CYS CB C 13 43.049 0.1 A 11 CYS HA H 1 4.443 0.01 A 11 CYS HBy H 1 3.575 0.01 A 11 CYS HBx H 1 2.572 0.01 A 11 CYS CA C 13 55.847 0.1 A 11 CYS CB C 13 39.443 0.1 A 12 HIS HA H 1 4.592 0.01 A 12 HIS HBy H 1 3.383 0.01 A 12 HIS HBx H 1 3.219 0.01 A 12 HIS HD2 H 1 7.392 0.01 A 12 HIS HE1 H 1 8.650 0.01 A 12 HIS CA C 13 54.965 0.1 A 13 VAL HA H 1 4.420 0.01 A 13 VAL HB H 1 2.298 0.01 A 13 VAL HGx% H 1 1.070 0.01 A 13 VAL HGy% H 1 1.027 0.01 A 13 VAL CA C 13 62.826 0.1 A 14 GLY HAx H 1 4.280 0.01 A 14 GLY HAy H 1 4.624 0.01 A 14 GLY CA C 13 43.534 0.1 A 15 CYS HA H 1 5.182 0.01 A 15 CYS HBy H 1 4.002 0.01 A 15 CYS HBx H 1 2.608 0.01 A 15 CYS CA C 13 53.425 0.1 A 16 THR HA H 1 4.948 0.01 A 16 THR HB H 1 4.655 0.01 A 16 THR HG2% H 1 1.300 0.01 A 16 THR CA C 13 60.128 0.1 A 16 THR CB C 13 70.587 0.1 A 17 LYS HA H 1 3.978 0.01 A 17 LYS HBy H 1 2.192 0.01 A 17 LYS HBx H 1 1.791 0.01 A 17 LYS HDx H 1 0.885 0.01 A 17 LYS HDy H 1 0.885 0.01 A 17 LYS HEx H 1 2.828 0.01 A 17 LYS HEy H 1 2.828 0.01 A 17 LYS HGy H 1 1.656 0.01 A 17 LYS HGx H 1 1.179 0.01 A 17 LYS CA C 13 61.127 0.1 A 18 ARG HA H 1 3.857 0.01 A 18 ARG HBy H 1 1.836 0.01 A 18 ARG HBx H 1 1.569 0.01 A 18 ARG HDy H 1 3.059 0.01 A 18 ARG HDx H 1 3.012 0.01 A 18 ARG HE H 1 7.573 0.01 A 18 ARG HGx H 1 1.687 0.01 A 18 ARG HGy H 1 1.687 0.01 A 18 ARG CA C 13 59.056 0.1 A 18 ARG CD C 13 42.823 0.1 A 19 SER HA H 1 4.155 0.01 A 19 SER HBy H 1 4.073 0.01 A 19 SER HBx H 1 3.972 0.01 A 19 SER CB C 13 62.362 0.1 A 20 LEU HA H 1 4.462 0.01 A 20 LEU HBy H 1 2.008 0.01 A 20 LEU HBx H 1 1.750 0.01 A 20 LEU HDx% H 1 0.964 0.01 A 20 LEU HDy% H 1 0.839 0.01 A 20 LEU HG H 1 1.903 0.01 A 20 LEU CA C 13 57.112 0.1 A 20 LEU CB C 13 42.014 0.1 A 21 ALA HA H 1 4.329 0.01 A 21 ALA HB% H 1 1.469 0.01 A 21 ALA CA C 13 53.861 0.1 A 21 ALA CB C 13 17.394 0.1 A 22 ARG HA H 1 4.067 0.01 A 22 ARG HBx H 1 1.589 0.01 A 22 ARG HBy H 1 1.589 0.01 A 22 ARG HDy H 1 3.078 0.01 A 22 ARG HDx H 1 3.007 0.01 A 22 ARG HE H 1 7.151 0.01 A 22 ARG HGy H 1 1.707 0.01 A 22 ARG HGx H 1 1.472 0.01 A 22 ARG CA C 13 57.401 0.1 A 23 PHE HA H 1 4.585 0.01 A 23 PHE HBy H 1 3.427 0.01 A 23 PHE HBx H 1 2.860 0.01 A 23 PHE HDx H 1 7.507 0.01 A 23 PHE HDy H 1 7.507 0.01 A 23 PHE HEx H 1 7.481 0.01 A 23 PHE HEy H 1 7.481 0.01 A 23 PHE CA C 13 54.98 0.1 A 23 PHE CB C 13 38.561 0.1 A 24 CYS HA H 1 4.675 0.01 A 24 CYS HBx H 1 3.214 0.01 A 24 CYS CA C 13 54.362 0.1 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 A 12 HIS HBx A 13 VAL H 1.0 1.8 3.17 2 2 A 8 ASN HA A 9 LYS H 1.0 1.8 3.79 3 3 B 26 SER HBy B 27 THR H 1.0 1.8 4.42 4 4 B 27 THR H B 26 SER HBx 1.0 1.8 4.82 5 5 A 6 LEU HA A 7 ALA H 1.0 1.8 5.50 6 6 B 15 LEU HA B 16 VAL H 1.0 1.8 3.64 7 7 B 2 SER H B 3 TRP H 1.0 1.8 4.69 8 8 B 3 TRP H B 2 SER HBx 1.0 1.8 3.67 9 9 B 3 TRP H B 2 SER HBy 1.0 1.8 4.04 10 10 B 3 TRP H B 2 SER HA 1.0 1.8 3.02 11 11 B 2 SER H B 1 ASP HBy 1.0 1.8 4.07 12 12 B 2 SER H B 1 ASP HBx 1.0 1.8 3.70 13 13 B 2 SER H B 1 ASP HA 1.0 1.8 3.45 14 14 A 13 VAL H A 12 HIS HBy 1.0 1.8 3.58 15 15 A 13 VAL H A 12 HIS HA 1.0 1.8 4.26 16 16 A 13 VAL HB A 14 GLY H 1.0 1.8 3.30 17 17 A 14 GLY H A 13 VAL HA 1.0 1.8 3.98 18 18 A 13 VAL H A 14 GLY H 1.0 1.8 2.43 19 19 A 13 VAL H A 12 HIS H 1.0 1.8 2.80 20 20 A 14 GLY H A 10 CYS HA 1.0 1.8 3.42 21 21 A 13 VAL H A 10 CYS HA 1.0 1.8 3.98 22 22 A 13 VAL H A 9 LYS HA 1.0 1.8 3.86 23 23 A 14 GLY HAx A 15 CYS H 1.0 1.8 3.64 24 24 A 15 CYS HA A 16 THR H 1.0 1.8 2.52 25 25 A 16 THR H A 15 CYS HBy 1.0 1.8 2.96 26 26 A 16 THR H A 15 CYS HBx 1.0 1.8 3.67 27 27 A 16 THR HA B 8 ILE H 1.0 1.8 4.38 28 28 B 8 ILE H B 7 VAL HA 1.0 1.8 2.52 29 29 B 8 ILE HB B 9 LYS H 1.0 1.8 3.39 30 30 B 9 LYS H B 8 ILE HA 1.0 1.8 2.74 31 31 B 8 ILE H B 9 LYS H 1.0 1.8 5.22 32 32 A 12 HIS H A 11 CYS HBx 1.0 1.8 3.02 33 33 A 12 HIS H A 11 CYS HBy 1.0 1.8 3.86 34 34 A 12 HIS H A 11 CYS HA 1.0 1.8 3.83 35 35 A 12 HIS H A 11 CYS H 1.0 1.8 2.93 36 36 A 11 CYS H A 10 CYS HBy 1.0 1.8 4.48 37 37 A 15 CYS H A 14 GLY HAy 1.0 1.8 3.39 38 38 A 10 CYS HA A 11 CYS H 1.0 1.8 4.97 39 39 A 11 CYS H A 10 CYS H 1.0 1.8 3.39 40 40 A 15 CYS H B 8 ILE H 1.0 1.8 3.08 41 41 A 9 LYS H A 8 ASN HBx 1.0 1.8 4.05 42 41 A 9 LYS H A 8 ASN HBy 1.0 1.8 4.05 43 42 A 10 CYS H A 9 LYS HBy 1.0 1.8 3.98 44 43 A 9 LYS HA A 10 CYS H 1.0 1.8 4.82 45 44 A 7 ALA H A 8 ASN H 1.0 1.8 3.52 46 45 A 7 ALA H A 6 LEU H 1.0 1.8 3.17 47 46 A 9 LYS H A 8 ASN H 1.0 1.8 3.48 48 47 A 7 ALA H A 6 LEU HBy 1.0 1.8 6.00 49 47 A 7 ALA H A 6 LEU HBx 1.0 1.8 6.00 50 48 B 27 THR H B 26 SER H 1.0 1.8 3.55 51 49 B 27 THR H B 26 SER HA 1.0 1.8 3.02 52 50 B 26 SER H B 25 MET HA 1.0 1.8 2.80 53 51 A 6 LEU H A 5 ALA HA 1.0 1.8 4.11 54 52 B 27 THR H B 28 TRP H 1.0 1.8 3.98 55 53 B 28 TRP H B 27 THR HB 1.0 1.8 2.99 56 54 B 28 TRP H B 27 THR HA 1.0 1.8 3.08 57 55 B 11 CYS HA B 12 GLY H 1.0 1.8 2.68 58 56 B 10 LEU HA B 11 CYS H 1.0 1.8 2.40 59 57 B 12 GLY HAx B 13 ARG H 1.0 1.8 2.46 60 58 B 13 ARG H B 12 GLY HAy 1.0 1.8 3.02 61 59 B 13 ARG H B 14 GLU H 1.0 1.8 2.90 62 60 B 11 CYS H B 10 LEU H 1.0 1.8 5.47 63 61 B 14 GLU H B 13 ARG HBx 1.0 1.8 4.21 64 61 B 14 GLU H B 13 ARG HBy 1.0 1.8 4.21 65 62 B 6 GLU H B 7 VAL H 1.0 1.8 4.17 66 63 B 7 VAL H B 6 GLU HA 1.0 1.8 2.40 67 64 B 7 VAL H B 6 GLU HBx 1.0 1.8 4.54 68 65 B 7 VAL H B 6 GLU HBy 1.0 1.8 3.21 69 66 B 6 GLU H B 5 GLU HA 1.0 1.8 3.92 70 67 A 16 THR HA B 7 VAL HA 1.0 1.8 2.80 71 68 A 14 GLY HAx B 9 LYS HA 1.0 1.8 3.67 72 69 B 10 LEU H B 9 LYS HBx 1.0 1.8 5.50 73 70 A 14 GLY HAy B 9 LYS HA 1.0 1.8 3.36 74 71 B 14 GLU HA B 15 LEU H 1.0 1.8 3.61 75 72 B 15 LEU H B 14 GLU HBx 1.0 1.8 3.45 76 73 B 15 LEU H B 14 GLU HBy 1.0 1.8 3.61 77 74 B 14 GLU H B 15 LEU H 1.0 1.8 2.71 78 75 B 26 SER H B 25 MET H 1.0 1.8 3.11 79 76 B 16 VAL H B 15 LEU H 1.0 1.8 2.77 80 77 B 17 ARG HA B 18 ALA H 1.0 1.8 3.42 81 78 A 21 ALA H A 22 ARG H 1.0 1.8 3.11 82 79 A 21 ALA HA A 23 PHE H 1.0 1.8 3.95 83 80 A 22 ARG H A 21 ALA HA 1.0 1.8 4.42 84 81 A 21 ALA H A 18 ARG HA 1.0 1.8 3.73 85 82 A 16 THR HB A 19 SER H 1.0 1.8 3.70 86 83 A 18 ARG HA A 19 SER H 1.0 1.8 3.64 87 84 B 19 GLN HBy B 20 ILE H 1.0 1.8 2.90 88 85 A 2 LEU H A 1 PCA HA 1.0 1.8 2.71 89 86 A 16 THR HA A 17 LYS H 1.0 1.8 2.62 90 87 A 19 SER H A 20 LEU H 1.0 1.8 3.05 91 88 A 19 SER H A 18 ARG H 1.0 1.8 2.90 92 89 A 20 LEU H A 19 SER HBy 1.0 1.8 3.86 93 90 A 20 LEU H A 19 SER HBx 1.0 1.8 5.50 94 91 B 11 CYS H B 14 GLU HBx 1.0 1.8 3.24 95 92 B 11 CYS H B 14 GLU HBy 1.0 1.8 3.86 96 93 B 23 CYS HBy B 24 GLY H 1.0 1.8 3.48 97 94 B 25 MET H B 24 GLY HAx 1.0 1.8 3.92 98 95 B 25 MET H B 24 GLY HAy 1.0 1.8 4.07 99 96 B 25 MET H B 24 GLY H 1.0 1.8 2.93 100 97 B 24 GLY H B 23 CYS H 1.0 1.8 2.99 101 98 B 26 SER H B 25 MET HBx 1.0 1.8 5.38 102 98 B 26 SER H B 25 MET HBy 1.0 1.8 5.38 103 99 B 16 VAL H B 15 LEU HBx 1.0 1.8 4.14 104 99 B 16 VAL H B 15 LEU HBy 1.0 1.8 4.14 105 100 A 16 THR HB A 17 LYS H 1.0 1.8 3.08 106 101 B 18 ALA H B 19 GLN H 1.0 1.8 2.90 107 102 B 19 GLN H B 18 ALA HA 1.0 1.8 3.92 108 103 A 12 HIS H A 9 LYS HA 1.0 1.8 3.39 109 104 A 18 ARG H A 17 LYS HA 1.0 1.8 3.64 110 105 A 7 ALA HA A 10 CYS HBx 1.0 1.8 5.22 111 106 A 6 LEU HA A 9 LYS HBx 1.0 1.8 4.07 112 107 A 6 LEU HA A 9 LYS HBy 1.0 1.8 3.30 113 108 A 19 SER H A 18 ARG HBy 1.0 1.8 3.30 114 109 A 19 SER H A 18 ARG HBx 1.0 1.8 3.89 115 110 A 16 THR H A 17 LYS H 1.0 1.8 4.32 116 111 A 18 ARG H A 17 LYS HBy 1.0 1.8 3.70 117 112 A 17 LYS HA A 20 LEU HBy 1.0 1.8 4.63 118 113 A 17 LYS HA A 20 LEU HBx 1.0 1.8 5.10 119 114 A 21 ALA H A 17 LYS HA 1.0 1.8 3.98 120 115 A 21 ALA H A 20 LEU HBy 1.0 1.8 3.17 121 116 A 21 ALA H A 20 LEU HBx 1.0 1.8 4.45 122 117 B 20 ILE H B 19 GLN HBx 1.0 1.8 3.58 123 118 A 21 ALA H A 20 LEU HA 1.0 1.8 3.30 124 119 A 23 PHE H A 22 ARG HA 1.0 1.8 3.73 125 120 A 14 GLY H A 12 HIS H 1.0 1.8 4.11 126 121 A 21 ALA H A 19 SER H 1.0 1.8 3.55 127 122 A 12 HIS HBy A 9 LYS HA 1.0 1.8 4.07 128 123 A 12 HIS HBx A 9 LYS HA 1.0 1.8 4.82 129 124 B 14 GLU H B 13 ARG HA 1.0 1.8 3.70 130 125 A 8 ASN H A 5 ALA HA 1.0 1.8 3.67 131 126 A 8 ASN H A 4 SER HBy 1.0 1.8 6.35 132 126 A 8 ASN H A 4 SER HBx 1.0 1.8 6.35 133 127 A 5 ALA HA A 8 ASN HBx 1.0 1.8 4.83 134 127 A 8 ASN HBy A 5 ALA HA 1.0 1.8 4.83 135 128 A 8 ASN H A 4 SER HA 1.0 1.8 5.19 136 129 A 21 ALA H A 20 LEU H 1.0 1.8 3.21 137 130 B 12 GLY H B 11 CYS HBy 1.0 1.8 4.07 138 131 B 12 GLY H B 11 CYS HBx 1.0 1.8 3.48 139 132 B 12 GLY H B 13 ARG H 1.0 1.8 4.94 140 133 A 16 THR HA A 19 SER HBx 1.0 1.8 4.48 141 134 B 3 TRP H B 5 GLU H 1.0 1.8 4.54 142 135 B 11 CYS H B 14 GLU H 1.0 1.8 3.86 143 136 B 24 GLY H B 23 CYS HA 1.0 1.8 4.66 144 137 A 10 CYS HA A 14 GLY HAy 1.0 1.8 3.36 145 138 A 19 SER HA A 22 ARG HBx 1.0 1.8 5.91 146 138 A 19 SER HA A 22 ARG HBy 1.0 1.8 5.91 147 139 B 22 ILE HA B 25 MET HBx 1.0 1.8 5.26 148 139 B 25 MET HBy B 22 ILE HA 1.0 1.8 5.26 149 140 B 18 ALA H B 17 ARG HBx 1.0 1.8 3.05 150 141 B 19 GLN HBy B 16 VAL HA 1.0 1.8 3.55 151 142 A 22 ARG H A 23 PHE H 1.0 1.8 3.05 152 143 A 3 TYR HA A 4 SER H 1.0 1.8 3.61 153 144 A 4 SER H A 3 TYR HBy 1.0 1.8 4.79 154 145 A 4 SER H A 3 TYR HBx 1.0 1.8 3.14 155 146 B 11 CYS H B 10 LEU HBx 1.0 1.8 3.42 156 147 B 11 CYS H B 10 LEU HBy 1.0 1.8 3.36 157 148 B 16 VAL H B 17 ARG H 1.0 1.8 2.96 158 149 A 12 HIS HBy A 13 VAL HA 1.0 1.8 5.50 159 150 B 28 TRP HA B 29 SER H 1.0 1.8 2.96 160 151 B 24 GLY H B 23 CYS HBx 1.0 1.8 4.35 161 152 B 23 CYS H B 22 ILE HA 1.0 1.8 4.23 162 153 B 23 CYS H B 22 ILE H 1.0 1.8 3.21 163 154 B 20 ILE H B 21 ALA H 1.0 1.8 2.80 164 155 B 22 ILE H B 21 ALA HA 1.0 1.8 3.73 165 156 B 22 ILE H B 21 ALA H 1.0 1.8 2.96 166 157 B 21 ALA H B 20 ILE HA 1.0 1.8 3.79 167 158 B 21 ALA H B 20 ILE HB 1.0 1.8 3.05 168 159 B 20 ILE H B 19 GLN H 1.0 1.8 2.96 169 160 B 17 ARG H B 16 VAL HB 1.0 1.8 3.02 170 161 B 16 VAL HA B 17 ARG H 1.0 1.8 4.57 171 162 B 14 GLU HA B 17 ARG H 1.0 1.8 3.55 172 163 B 18 ALA H B 17 ARG H 1.0 1.8 3.17 173 164 B 16 VAL H B 13 ARG HA 1.0 1.8 3.61 174 165 A 2 LEU HA A 3 TYR H 1.0 1.8 3.45 175 166 A 4 SER H A 3 TYR H 1.0 1.8 4.60 176 167 A 9 LYS H A 10 CYS H 1.0 1.8 3.08 177 168 A 23 PHE HA A 24 CYS H 1.0 1.8 3.36 178 169 A 24 CYS H A 23 PHE HBy 1.0 1.8 3.08 179 170 A 24 CYS H A 23 PHE HBx 1.0 1.8 3.36 180 171 A 23 PHE H A 24 CYS H 1.0 1.8 3.05 181 172 A 17 LYS H A 18 ARG H 1.0 1.8 3.33 182 173 A 20 LEU HA A 24 CYS H 1.0 1.8 3.45 183 174 A 22 ARG H A 20 LEU HA 1.0 1.8 4.04 184 175 B 23 CYS H B 20 ILE HA 1.0 1.8 4.11 185 176 B 23 CYS H B 19 GLN HA 1.0 1.8 4.42 186 177 A 6 LEU H A 5 ALA H 1.0 1.8 2.99 187 178 A 4 SER H A 5 ALA H 1.0 1.8 3.48 188 179 B 19 GLN H B 16 VAL HA 1.0 1.8 3.33 189 180 A 16 THR HB A 18 ARG H 1.0 1.8 3.17 190 181 A 23 PHE H A 22 ARG HBx 1.0 1.8 5.54 191 181 A 23 PHE H A 22 ARG HBy 1.0 1.8 5.54 192 182 B 10 LEU H B 9 LYS HA 1.0 1.8 2.80 193 183 B 18 ALA H B 17 ARG HBy 1.0 1.8 3.79 194 184 B 20 ILE H B 19 GLN HA 1.0 1.8 3.61 195 185 B 19 GLN HA B 22 ILE HB 1.0 1.8 3.42 196 186 A 18 ARG H A 17 LYS HBx 1.0 1.8 3.27 197 187 B 13 ARG HA B 16 VAL HB 1.0 1.8 2.80 198 188 A 16 THR HA A 18 ARG H 1.0 1.8 4.79 199 189 B 14 GLU HA B 17 ARG HBx 1.0 1.8 3.08 200 190 B 14 GLU HA B 17 ARG HBy 1.0 1.8 3.76 201 191 A 7 ALA H A 6 LEU HG 1.0 1.8 4.72 202 192 B 14 GLU H B 13 ARG HGx 1.0 1.8 6.38 203 192 B 14 GLU H B 13 ARG HGy 1.0 1.8 6.38 204 193 B 7 VAL H B 6 GLU HGx 1.0 1.8 5.50 205 194 B 7 VAL H B 6 GLU HGy 1.0 1.8 5.50 206 195 B 6 GLU H B 5 GLU HGx 1.0 1.8 6.38 207 195 B 6 GLU H B 5 GLU HGy 1.0 1.8 6.38 208 196 B 9 LYS H B 8 ILE HG1y 1.0 1.8 4.48 209 197 B 9 LYS H B 8 ILE HG1x 1.0 1.8 4.32 210 198 B 10 LEU H B 9 LYS HDx 1.0 1.8 6.38 211 198 B 10 LEU H B 9 LYS HDy 1.0 1.8 6.38 212 199 B 10 LEU H B 9 LYS HGx 1.0 1.8 5.50 213 200 B 10 LEU H B 9 LYS HGy 1.0 1.8 5.10 214 201 B 15 LEU H B 14 GLU HGy 1.0 1.8 5.50 215 202 B 20 ILE H B 19 GLN HGx 1.0 1.8 6.38 216 202 B 20 ILE H B 19 GLN HGy 1.0 1.8 6.38 217 203 A 2 LEU H A 1 PCA HGx 1.0 1.8 5.50 218 204 A 2 LEU H A 1 PCA HGy 1.0 1.8 5.50 219 205 B 26 SER H B 25 MET HGx 1.0 1.8 5.66 220 205 B 26 SER H B 25 MET HGy 1.0 1.8 5.66 221 206 A 19 SER H A 18 ARG HGx 1.0 1.8 4.49 222 206 A 19 SER H A 18 ARG HGy 1.0 1.8 4.49 223 207 A 21 ALA H A 20 LEU HG 1.0 1.8 4.72 224 208 A 11 CYS HBx A 12 HIS HD2 1.0 1.8 3.67 225 209 A 11 CYS HBy A 12 HIS HD2 1.0 1.8 4.26 226 210 A 11 CYS HBy B 11 CYS HA 1.0 1.8 3.17 227 211 A 15 CYS HA A 9 LYS HEx 1.0 1.8 6.38 228 211 A 15 CYS HA A 9 LYS HEy 1.0 1.8 6.38 229 212 A 2 LEU HA A 3 TYR HE% 1.0 1.8 7.63 230 213 A 6 LEU HG A 3 TYR HE% 1.0 1.8 7.63 231 214 A 3 TYR HE% A 6 LEU HBy 1.0 1.8 8.51 232 214 A 6 LEU HBx A 3 TYR HE% 1.0 1.8 8.51 233 215 A 5 ALA HA A 8 ASN HD2x 1.0 1.8 5.50 234 216 A 17 LYS HBx B 3 TRP HE3 1.0 1.8 4.14 235 217 A 3 TYR HE% A 23 PHE HE% 1.0 1.8 9.75 236 218 A 20 LEU HBy B 19 GLN HA 1.0 1.8 2.99 237 219 B 22 ILE HA B 3 TRP HE3 1.0 1.8 5.50 238 220 A 11 CYS HBy B 12 GLY H 1.0 1.8 5.50 239 221 B 6 GLU HBy A 17 LYS HEx 1.0 1.8 5.26 240 221 B 6 GLU HBy A 17 LYS HEy 1.0 1.8 5.26 241 222 B 3 TRP HZ2 B 25 MET HGx 1.0 1.8 5.35 242 222 B 25 MET HGy B 3 TRP HZ2 1.0 1.8 5.35 243 223 B 6 GLU HBx A 17 LYS HEx 1.0 1.8 6.19 244 223 B 6 GLU HBx A 17 LYS HEy 1.0 1.8 6.19 245 224 B 11 CYS H B 10 LEU HG 1.0 1.8 3.21 246 225 A 12 HIS HA B 9 LYS HEx 1.0 1.8 6.38 247 225 A 12 HIS HA B 9 LYS HEy 1.0 1.8 6.38 248 226 A 15 CYS HBx A 10 CYS HBx 1.0 1.8 5.50 249 227 A 3 TYR HBx A 23 PHE HE% 1.0 1.8 7.56 250 228 A 3 TYR HBx A 23 PHE HD% 1.0 1.8 7.50 251 229 A 20 LEU HA A 23 PHE HD% 1.0 1.8 6.16 252 230 A 8 ASN HA A 12 HIS HD2 1.0 1.8 4.17 253 231 A 12 HIS HD2 A 8 ASN HBx 1.0 1.8 6.38 254 231 A 8 ASN HBy A 12 HIS HD2 1.0 1.8 6.38 255 232 A 20 LEU HBx B 19 GLN HE2x 1.0 1.8 4.26 256 233 A 20 LEU HBx A 23 PHE HD% 1.0 1.8 6.72 257 234 A 23 PHE H A 22 ARG HGy 1.0 1.8 5.50 258 235 A 23 PHE H A 22 ARG HGx 1.0 1.8 3.92 259 236 B 21 ALA H B 20 ILE HG1x 1.0 1.8 6.38 260 236 B 21 ALA H B 20 ILE HG1y 1.0 1.8 6.38 261 237 B 1 ASP HA B 3 TRP HZ3 1.0 1.8 5.38 262 238 B 15 LEU HA B 10 LEU HBx 1.0 1.8 4.11 263 239 B 15 LEU HA B 10 LEU HBy 1.0 1.8 3.36 264 240 B 6 GLU HBy A 17 LYS HBx 1.0 1.8 2.90 265 241 A 15 CYS HBx A 10 CYS HBy 1.0 1.8 5.22 266 242 A 23 PHE HD% A 3 TYR HD% 1.0 1.8 9.76 267 243 A 3 TYR HE% A 23 PHE HD% 1.0 1.8 9.75 268 244 B 3 TRP HD1 B 28 TRP HD1 1.0 1.8 2.40 269 245 B 6 GLU HBx A 17 LYS HBx 1.0 1.8 3.61 270 246 A 18 ARG H A 17 LYS HGy 1.0 1.8 5.50 271 247 B 3 TRP HE3 A 17 LYS HGy 1.0 1.8 3.64 272 248 B 3 TRP HZ3 A 17 LYS HGy 1.0 1.8 5.38 273 249 A 17 LYS HBx B 3 TRP HZ3 1.0 1.8 4.17 274 250 B 23 CYS H B 22 ILE HG1x 1.0 1.8 4.55 275 250 B 23 CYS H B 22 ILE HG1y 1.0 1.8 4.55 276 251 B 6 GLU HBy A 17 LYS HGy 1.0 1.8 3.11 277 252 A 3 TYR HE% B 19 GLN HGx 1.0 1.8 8.51 278 252 B 19 GLN HGy A 3 TYR HE% 1.0 1.8 8.51 279 253 A 14 GLY H A 13 VAL HGx% 1.0 1.8 6.53 280 254 A 14 GLY H A 13 VAL HGy% 1.0 1.8 6.53 281 255 B 8 ILE H B 7 VAL HGx% 1.0 1.8 6.53 282 256 B 8 ILE H B 7 VAL HGy% 1.0 1.8 4.85 283 257 B 9 LYS H B 8 ILE HG2% 1.0 1.8 6.40 284 258 A 12 HIS H A 13 VAL HGx% 1.0 1.8 6.53 285 259 A 12 HIS H A 13 VAL HGy% 1.0 1.8 6.53 286 260 A 8 ASN H A 7 ALA HB% 1.0 1.8 4.57 287 261 A 7 ALA H A 6 LEU HDy% 1.0 1.8 6.53 288 262 A 6 LEU H A 5 ALA HB% 1.0 1.8 4.36 289 263 B 28 TRP H B 27 THR HG2% 1.0 1.8 5.38 290 264 B 9 LYS H B 8 ILE HD1% 1.0 1.8 6.53 291 265 B 15 LEU HA B 18 ALA HB% 1.0 1.8 3.99 292 266 B 17 ARG H B 16 VAL HGx% 1.0 1.8 5.63 293 267 A 22 ARG H A 21 ALA HB% 1.0 1.8 4.67 294 268 A 7 ALA H A 6 LEU HDx% 1.0 1.8 6.53 295 269 B 19 GLN H B 18 ALA HB% 1.0 1.8 4.17 296 270 A 3 TYR HE% A 6 LEU HDx% 1.0 1.8 8.19 297 271 A 17 LYS H A 16 THR HG2% 1.0 1.8 6.53 298 272 A 19 SER H A 16 THR HG2% 1.0 1.8 6.53 299 273 A 17 LYS HA A 20 LEU HDx% 1.0 1.8 4.17 300 274 A 17 LYS HA A 20 LEU HDy% 1.0 1.8 3.99 301 275 A 18 ARG HA A 21 ALA HB% 1.0 1.8 4.23 302 276 B 3 TRP HZ3 A 21 ALA HB% 1.0 1.8 5.81 303 277 A 21 ALA H A 20 LEU HDx% 1.0 1.8 5.16 304 278 A 21 ALA H A 20 LEU HDy% 1.0 1.8 6.53 305 279 A 12 HIS HD2 A 13 VAL HGx% 1.0 1.8 5.81 306 280 A 12 HIS HD2 A 13 VAL HGy% 1.0 1.8 6.25 307 281 A 3 TYR HD% A 6 LEU HDy% 1.0 1.8 8.67 308 282 A 16 THR HA B 7 VAL HGx% 1.0 1.8 4.76 309 283 A 16 THR HA B 7 VAL HGy% 1.0 1.8 5.81 310 284 A 15 CYS HA B 7 VAL HGy% 1.0 1.8 6.53 311 285 A 15 CYS HA A 16 THR HG2% 1.0 1.8 6.19 312 286 B 16 VAL H B 15 LEU HDx% 1.0 1.8 5.50 313 287 B 16 VAL H B 15 LEU HDy% 1.0 1.8 6.53 314 288 B 19 GLN HE2x A 20 LEU HDx% 1.0 1.8 6.53 315 289 A 3 TYR HE% A 6 LEU HDy% 1.0 1.8 6.71 316 290 B 22 ILE H B 21 ALA HB% 1.0 1.8 4.23 317 291 B 14 GLU H B 10 LEU HDx% 1.0 1.8 6.53 318 292 A 15 CYS H B 7 VAL HGy% 1.0 1.8 5.60 319 293 B 19 GLN HA A 20 LEU HDx% 1.0 1.8 5.66 320 294 B 19 GLN HA A 20 LEU HDy% 1.0 1.8 5.81 321 295 B 7 VAL HGx% A 16 THR HG2% 1.0 1.8 6.38 322 296 B 7 VAL HGy% A 16 THR HG2% 1.0 1.8 7.56 323 297 A 16 THR HB B 7 VAL HGx% 1.0 1.8 6.53 324 298 B 14 GLU HBx B 10 LEU HDy% 1.0 1.8 6.53 325 299 B 14 GLU HBy B 10 LEU HDy% 1.0 1.8 4.92 326 300 B 14 GLU HBy B 10 LEU HDx% 1.0 1.8 4.08 327 301 B 14 GLU HBx B 10 LEU HDx% 1.0 1.8 5.78 328 302 B 11 CYS H B 10 LEU HDx% 1.0 1.8 5.10 329 303 B 11 CYS H B 10 LEU HDy% 1.0 1.8 6.53 330 304 A 20 LEU HDx% B 19 GLN HGx 1.0 1.8 7.40 331 304 B 19 GLN HGy A 20 LEU HDx% 1.0 1.8 7.40 332 305 A 20 LEU HDy% B 19 GLN HGx 1.0 1.8 7.40 333 305 B 19 GLN HGy A 20 LEU HDy% 1.0 1.8 7.40 334 306 B 8 ILE HD1% B 18 ALA HB% 1.0 1.8 6.35 335 307 B 8 ILE HG2% B 18 ALA HB% 1.0 1.8 6.63 336 308 B 3 TRP HZ3 B 22 ILE HD1% 1.0 1.8 4.88 337 309 B 3 TRP HZ3 B 22 ILE HG2% 1.0 1.8 5.66 338 310 B 19 GLN HA B 22 ILE HD1% 1.0 1.8 5.69 339 311 A 21 ALA HA B 22 ILE HD1% 1.0 1.8 4.08 340 312 A 12 HIS HBy A 13 VAL HGy% 1.0 1.8 6.53 341 313 A 12 HIS HBx A 13 VAL HGy% 1.0 1.8 6.53 342 314 A 12 HIS HBx A 13 VAL HGx% 1.0 1.8 5.13 343 315 A 12 HIS HBy A 13 VAL HGx% 1.0 1.8 5.66 344 316 A 13 VAL HGy% A 9 LYS HEx 1.0 1.8 7.40 345 316 A 9 LYS HEy A 13 VAL HGy% 1.0 1.8 7.40 346 317 A 13 VAL HGx% A 9 LYS HEx 1.0 1.8 7.40 347 317 A 9 LYS HEy A 13 VAL HGx% 1.0 1.8 7.40 348 318 B 23 CYS H B 22 ILE HD1% 1.0 1.8 5.38 349 319 B 21 ALA H B 20 ILE HD1% 1.0 1.8 5.26 350 320 B 17 ARG H B 16 VAL HGy% 1.0 1.8 5.47 351 321 A 23 PHE HD% A 20 LEU HDy% 1.0 1.8 8.65 352 322 A 23 PHE HE% A 6 LEU HDy% 1.0 1.8 6.88 353 323 B 8 ILE HG2% A 17 LYS HEx 1.0 1.8 5.39 354 323 A 17 LYS HEy B 8 ILE HG2% 1.0 1.8 5.39 355 324 B 8 ILE HD1% A 17 LYS HEx 1.0 1.8 6.75 356 324 A 17 LYS HEy B 8 ILE HD1% 1.0 1.8 6.75 357 325 A 2 LEU H A 5 ALA HB% 1.0 1.8 5.16 358 326 B 20 ILE H B 21 ALA HB% 1.0 1.8 6.53 359 327 B 22 ILE HD1% B 3 TRP HH2 1.0 1.8 5.13 360 328 B 5 GLU HA A 16 THR HG2% 1.0 1.8 4.85 361 329 B 7 VAL HA A 16 THR HG2% 1.0 1.8 5.69 362 330 B 13 ARG HA B 16 VAL HGx% 1.0 1.8 4.08 363 331 A 9 LYS HA A 13 VAL HGx% 1.0 1.8 4.67 364 332 A 7 ALA HA B 15 LEU HDx% 1.0 1.8 4.11 365 333 A 20 LEU HBy A 6 LEU HDy% 1.0 1.8 4.02 366 334 B 10 LEU HBx B 15 LEU HDy% 1.0 1.8 4.70 367 335 B 18 ALA HB% B 15 LEU HDy% 1.0 1.8 6.66 368 336 B 15 LEU HA B 10 LEU HDy% 1.0 1.8 4.36 369 337 A 14 GLY HAx B 7 VAL HGy% 1.0 1.8 4.14 370 338 A 14 GLY HAy B 7 VAL HGy% 1.0 1.8 5.26 371 339 B 13 ARG HA B 16 VAL HGy% 1.0 1.8 5.47 372 340 B 11 CYS HBx B 15 LEU HDy% 1.0 1.8 5.16 373 341 B 11 CYS HBx B 15 LEU HDx% 1.0 1.8 4.51 374 342 B 11 CYS HBy B 15 LEU HDy% 1.0 1.8 4.85 375 343 A 4 SER HA A 7 ALA HB% 1.0 1.8 4.61 376 344 A 18 ARG H A 16 THR HG2% 1.0 1.8 5.35 377 345 A 17 LYS HA B 8 ILE HD1% 1.0 1.8 5.91 378 346 B 18 ALA H B 10 LEU HDy% 1.0 1.8 5.85 379 347 B 18 ALA HB% B 10 LEU HDy% 1.0 1.8 5.70 380 348 B 6 GLU HBx B 8 ILE HG2% 1.0 1.8 6.03 381 349 A 20 LEU HG A 6 LEU HDy% 1.0 1.8 3.55 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 hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 6 LEU H A 2 LEU O 1.0 1.2 2.3 2 2 A 2 LEU O A 6 LEU N 1.0 1.8 3.3 3 3 A 9 LYS H A 5 ALA O 1.0 1.2 2.3 4 4 A 5 ALA O A 9 LYS N 1.0 1.8 3.3 5 5 A 11 CYS H A 7 ALA O 1.0 1.2 2.3 6 6 A 7 ALA O A 11 CYS N 1.0 1.8 3.3 7 7 A 12 HIS H A 8 ASN O 1.0 1.2 2.3 8 8 A 8 ASN O A 12 HIS N 1.0 1.8 3.3 9 9 A 20 LEU H A 16 THR O 1.0 1.2 2.3 10 10 A 16 THR O A 20 LEU N 1.0 1.8 3.3 11 11 A 22 ARG H A 18 ARG O 1.0 1.2 2.3 12 12 A 18 ARG O A 22 ARG N 1.0 1.8 3.3 13 13 A 24 CYS H A 20 LEU O 1.0 1.2 2.3 14 14 A 20 LEU O A 24 CYS N 1.0 1.8 3.3 15 15 B 15 LEU H B 11 CYS O 1.0 1.2 2.3 16 16 B 11 CYS O B 15 LEU N 1.0 1.8 3.3 17 17 B 16 VAL H B 12 GLY O 1.0 1.2 2.3 18 18 B 12 GLY O B 16 VAL N 1.0 1.8 3.3 19 19 B 17 ARG H B 13 ARG O 1.0 1.2 2.3 20 20 B 13 ARG O B 17 ARG N 1.0 1.8 3.3 21 21 B 18 ALA H B 14 GLU O 1.0 1.2 2.3 22 22 B 14 GLU O B 18 ALA N 1.0 1.8 3.3 23 23 B 20 ILE H B 16 VAL O 1.0 1.2 2.3 24 24 B 16 VAL O B 20 ILE N 1.0 1.8 3.3 25 25 B 21 ALA H B 17 ARG O 1.0 1.2 2.3 26 26 B 17 ARG O B 21 ALA N 1.0 1.8 3.3 27 27 B 22 ILE H B 18 ALA O 1.0 1.2 2.3 28 28 B 18 ALA O B 22 ILE N 1.0 1.8 3.3 29 29 B 24 GLY H B 20 ILE O 1.0 1.2 2.3 30 30 B 20 ILE O B 24 GLY N 1.0 1.8 3.3 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 9 LYS N A 9 LYS CA A 9 LYS CB A 9 LYS CG 1.0 -210.0 -30.0 CHI1 2 2 A 20 LEU N A 20 LEU CA A 20 LEU CB A 20 LEU CG 1.0 -210.0 -30.0 CHI1 3 3 A 23 PHE N A 23 PHE CA A 23 PHE CB A 23 PHE CG 1.0 -210.0 -30.0 CHI1 4 4 B 5 GLU N B 5 GLU CA B 5 GLU CB B 5 GLU CG 1.0 -210.0 -30.0 CHI1 5 5 B 6 GLU N B 6 GLU CA B 6 GLU CB B 6 GLU CG 1.0 -210.0 -30.0 CHI1 6 6 B 19 GLN N B 19 GLN CA B 19 GLN CB B 19 GLN CG 1.0 -90.0 -30.0 CHI1 7 7 A 1 PCA C A 2 LEU N A 2 LEU CA A 2 LEU C 1.0 -82.0 -42.0 PHI 8 8 A 2 LEU N A 2 LEU CA A 2 LEU C A 3 TYR N 1.0 -62.9 -22.9 PSI 9 9 A 2 LEU C A 3 TYR N A 3 TYR CA A 3 TYR C 1.0 -82.1 -42.1 PHI 10 10 A 3 TYR N A 3 TYR CA A 3 TYR C A 4 SER N 1.0 -59.2 -19.2 PSI 11 11 A 3 TYR C A 4 SER N A 4 SER CA A 4 SER C 1.0 -81.7 -41.7 PHI 12 12 A 4 SER N A 4 SER CA A 4 SER C A 5 ALA N 1.0 -62.2 -22.2 PSI 13 13 A 4 SER C A 5 ALA N A 5 ALA CA A 5 ALA C 1.0 -83.4 -43.4 PHI 14 14 A 5 ALA N A 5 ALA CA A 5 ALA C A 6 LEU N 1.0 -62.0 -22.0 PSI 15 15 A 5 ALA C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 -84.1 -44.1 PHI 16 16 A 6 LEU N A 6 LEU CA A 6 LEU C A 7 ALA N 1.0 -61.3 -21.3 PSI 17 17 A 6 LEU C A 7 ALA N A 7 ALA CA A 7 ALA C 1.0 -83.1 -43.1 PHI 18 18 A 7 ALA N A 7 ALA CA A 7 ALA C A 8 ASN N 1.0 -58.2 -18.2 PSI 19 19 A 7 ALA C A 8 ASN N A 8 ASN CA A 8 ASN C 1.0 -84.3 -44.3 PHI 20 20 A 8 ASN N A 8 ASN CA A 8 ASN C A 9 LYS N 1.0 -63.3 -23.3 PSI 21 21 A 8 ASN C A 9 LYS N A 9 LYS CA A 9 LYS C 1.0 -84.2 -44.2 PHI 22 22 A 9 LYS N A 9 LYS CA A 9 LYS C A 10 CYS N 1.0 -57.0 -17.0 PSI 23 23 A 9 LYS C A 10 CYS N A 10 CYS CA A 10 CYS C 1.0 -93.8 -37.8 PHI 24 24 A 10 CYS N A 10 CYS CA A 10 CYS C A 11 CYS N 1.0 -54.2 -14.2 PSI 25 25 A 10 CYS C A 11 CYS N A 11 CYS CA A 11 CYS C 1.0 -124.7 -52.5 PHI 26 26 A 11 CYS N A 11 CYS CA A 11 CYS C A 12 HIS N 1.0 -59.2 56.6 PSI 27 27 A 12 HIS C A 13 VAL N A 13 VAL CA A 13 VAL C 1.0 -161.0 -59.8 PHI 28 28 A 14 GLY N A 14 GLY CA A 14 GLY C A 15 CYS N 1.0 109.7 182.7 PSI 29 29 A 14 GLY C A 15 CYS N A 15 CYS CA A 15 CYS C 1.0 -159.1 -88.3 PHI 30 30 A 15 CYS N A 15 CYS CA A 15 CYS C A 16 THR N 1.0 104.2 163.2 PSI 31 31 A 15 CYS C A 16 THR N A 16 THR CA A 16 THR C 1.0 -140.1 -36.7 PHI 32 32 A 16 THR N A 16 THR CA A 16 THR C A 17 LYS N 1.0 145.3 185.3 PSI 33 33 A 16 THR C A 17 LYS N A 17 LYS CA A 17 LYS C 1.0 -80.2 -40.2 PHI 34 34 A 17 LYS N A 17 LYS CA A 17 LYS C A 18 ARG N 1.0 -62.7 -22.7 PSI 35 35 A 17 LYS C A 18 ARG N A 18 ARG CA A 18 ARG C 1.0 -84.0 -44.0 PHI 36 36 A 18 ARG N A 18 ARG CA A 18 ARG C A 19 SER N 1.0 -61.1 -21.1 PSI 37 37 A 18 ARG C A 19 SER N A 19 SER CA A 19 SER C 1.0 -82.2 -42.2 PHI 38 38 A 19 SER N A 19 SER CA A 19 SER C A 20 LEU N 1.0 -62.2 -22.2 PSI 39 39 A 19 SER C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -89.3 -49.3 PHI 40 40 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 ALA N 1.0 -60.8 -20.8 PSI 41 41 A 20 LEU C A 21 ALA N A 21 ALA CA A 21 ALA C 1.0 -83.8 -43.8 PHI 42 42 A 21 ALA N A 21 ALA CA A 21 ALA C A 22 ARG N 1.0 -54.9 -9.1 PSI 43 43 A 21 ALA C A 22 ARG N A 22 ARG CA A 22 ARG C 1.0 -109.6 -59.2 PHI 44 44 A 22 ARG N A 22 ARG CA A 22 ARG C A 23 PHE N 1.0 -32.5 16.1 PSI 45 45 A 22 ARG C A 23 PHE N A 23 PHE CA A 23 PHE C 1.0 -189.1 -55.5 PHI 46 46 B 1 ASP C B 2 SER N B 2 SER CA B 2 SER C 1.0 -180.0 -20.0 PHI 47 47 B 2 SER C B 3 TRP N B 3 TRP CA B 3 TRP C 1.0 -91.3 -40.9 PHI 48 48 B 3 TRP N B 3 TRP CA B 3 TRP C B 4 MET N 1.0 -53.3 -9.3 PSI 49 49 B 3 TRP C B 4 MET N B 4 MET CA B 4 MET C 1.0 -96.1 -42.7 PHI 50 50 B 4 MET N B 4 MET CA B 4 MET C B 5 GLU N 1.0 -45.0 2.8 PSI 51 51 B 4 MET C B 5 GLU N B 5 GLU CA B 5 GLU C 1.0 -134.5 -68.3 PHI 52 52 B 6 GLU C B 7 VAL N B 7 VAL CA B 7 VAL C 1.0 -150.8 -84.2 PHI 53 53 B 7 VAL N B 7 VAL CA B 7 VAL C B 8 ILE N 1.0 99.2 160.6 PSI 54 54 B 7 VAL C B 8 ILE N B 8 ILE CA B 8 ILE C 1.0 -142.0 -93.8 PHI 55 55 B 8 ILE N B 8 ILE CA B 8 ILE C B 9 LYS N 1.0 106.6 171.8 PSI 56 56 B 8 ILE C B 9 LYS N B 9 LYS CA B 9 LYS C 1.0 -180.0 -20.0 PHI 57 57 B 9 LYS C B 10 LEU N B 10 LEU CA B 10 LEU C 1.0 -166.7 -103.1 PHI 58 58 B 10 LEU N B 10 LEU CA B 10 LEU C B 11 CYS N 1.0 124.5 175.1 PSI 59 59 B 10 LEU C B 11 CYS N B 11 CYS CA B 11 CYS C 1.0 -161.5 -121.5 PHI 60 60 B 11 CYS N B 11 CYS CA B 11 CYS C B 12 GLY N 1.0 112.9 168.5 PSI 61 61 B 12 GLY C B 13 ARG N B 13 ARG CA B 13 ARG C 1.0 -78.4 -38.4 PHI 62 62 B 13 ARG N B 13 ARG CA B 13 ARG C B 14 GLU N 1.0 -57.0 -10.4 PSI 63 63 B 13 ARG C B 14 GLU N B 14 GLU CA B 14 GLU C 1.0 -83.5 -43.5 PHI 64 64 B 14 GLU N B 14 GLU CA B 14 GLU C B 15 LEU N 1.0 -59.7 -19.7 PSI 65 65 B 14 GLU C B 15 LEU N B 15 LEU CA B 15 LEU C 1.0 -102.2 -57.8 PHI 66 66 B 15 LEU N B 15 LEU CA B 15 LEU C B 16 VAL N 1.0 -39.8 4.2 PSI 67 67 B 15 LEU C B 16 VAL N B 16 VAL CA B 16 VAL C 1.0 -180.0 -20.0 PHI 68 68 B 16 VAL C B 17 ARG N B 17 ARG CA B 17 ARG C 1.0 -85.2 -45.2 PHI 69 69 B 17 ARG N B 17 ARG CA B 17 ARG C B 18 ALA N 1.0 -57.1 -5.5 PSI 70 70 B 17 ARG C B 18 ALA N B 18 ALA CA B 18 ALA C 1.0 -92.0 -44.2 PHI 71 71 B 18 ALA N B 18 ALA CA B 18 ALA C B 19 GLN N 1.0 -60.3 -20.3 PSI 72 72 B 18 ALA C B 19 GLN N B 19 GLN CA B 19 GLN C 1.0 -85.4 -45.4 PHI 73 73 B 19 GLN N B 19 GLN CA B 19 GLN C B 20 ILE N 1.0 -61.1 -21.1 PSI 74 74 B 19 GLN C B 20 ILE N B 20 ILE CA B 20 ILE C 1.0 -87.3 -43.9 PHI 75 75 B 20 ILE N B 20 ILE CA B 20 ILE C B 21 ALA N 1.0 -57.5 -17.5 PSI 76 76 B 20 ILE C B 21 ALA N B 21 ALA CA B 21 ALA C 1.0 -82.1 -42.1 PHI 77 77 B 21 ALA N B 21 ALA CA B 21 ALA C B 22 ILE N 1.0 -60.3 -20.3 PSI 78 78 B 21 ALA C B 22 ILE N B 22 ILE CA B 22 ILE C 1.0 -88.4 -48.4 PHI 79 79 B 22 ILE N B 22 ILE CA B 22 ILE C B 23 CYS N 1.0 -63.2 -22.8 PSI 80 80 B 22 ILE C B 23 CYS N B 23 CYS CA B 23 CYS C 1.0 -116.3 -76.3 PHI 81 81 B 23 CYS N B 23 CYS CA B 23 CYS C B 24 GLY N 1.0 -22.1 22.7 PSI 82 82 B 24 GLY C B 25 MET N B 25 MET CA B 25 MET C 1.0 -180.0 -20.0 PHI 83 83 B 25 MET C B 26 SER N B 26 SER CA B 26 SER C 1.0 -180.0 -20.0 PHI 84 84 B 26 SER C B 27 THR N B 27 THR CA B 27 THR C 1.0 -180.0 -20.0 PHI 85 85 B 27 THR C B 28 TRP N B 28 TRP CA B 28 TRP C 1.0 -180.0 -20.0 PHI 86 86 B 28 TRP C B 29 SER N B 29 SER CA B 29 SER C 1.0 -180.0 -20.0 PHI stop_ save_