data_nef_c25152_2mt8 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 2MT8 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 1 CYS SG 1 20 CYS SG 1 10 CYS SG 1 22 CYS SG 1 16 CYS SG 1 28 CYS SG 1 1 CYS N 1 39 ARG C 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 A 1 CYS cyclic -HG . 2 A 2 GLU middle . . 3 A 3 ALA middle . . 4 A 4 ILE middle . . 5 A 5 TYR middle . . 6 A 6 ALA middle . . 7 A 7 ALA middle . . 8 A 8 PRO middle . false 9 A 9 LYS middle . . 10 A 10 CYS middle -HG . 11 A 11 ARG middle . . 12 A 12 ARG middle . . 13 A 13 ASP middle . . 14 A 14 SER middle . . 15 A 15 ASP middle . . 16 A 16 CYS middle -HG . 17 A 17 PRO middle . false 18 A 18 GLY middle . false 19 A 19 ALA middle . . 20 A 20 CYS middle -HG . 21 A 21 ILE middle . . 22 A 22 CYS middle -HG . 23 A 23 ARG middle . . 24 A 24 GLY middle . false 25 A 25 ASN middle . . 26 A 26 GLY middle . false 27 A 27 TYR middle . . 28 A 28 CYS middle -HG . 29 A 29 GLY middle . false 30 A 30 GLU middle . . 31 A 31 ALA middle . . 32 A 32 ILE middle . . 33 A 33 TYR middle . . 34 A 34 ALA middle . . 35 A 35 ALA middle . . 36 A 36 PRO middle . false 37 A 37 PHE middle . . 38 A 38 ALA middle . . 39 A 39 ARG cyclic . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 CYS H1 H 1 8.743 0.001 A 1 CYS HA H 1 4.683 0.001 A 1 CYS HB2 H 1 3.005 0.002 A 1 CYS HB3 H 1 3.005 0.002 A 2 GLU H H 1 8.514 0.001 A 2 GLU HA H 1 4.461 0.003 A 2 GLU HBx H 1 2.041 0.000 A 2 GLU HBy H 1 2.227 0.003 A 2 GLU HG2 H 1 2.478 0.001 A 2 GLU HG3 H 1 2.478 0.001 A 3 ALA H H 1 8.119 0.001 A 3 ALA HA H 1 4.433 0.002 A 3 ALA HB% H 1 1.392 0.001 A 4 ILE H H 1 7.883 0.002 A 4 ILE HA H 1 4.049 0.002 A 4 ILE HB H 1 1.801 0.002 A 4 ILE HD1% H 1 0.859 0.002 A 4 ILE HG1y H 1 1.290 0.004 A 4 ILE HG1x H 1 1.081 0.002 A 4 ILE HG2% H 1 0.752 0.003 A 5 TYR H H 1 7.991 0.001 A 5 TYR HA H 1 4.566 0.002 A 5 TYR HBx H 1 3.012 0.002 A 5 TYR HBy H 1 3.171 0.002 A 5 TYR HDx H 1 7.202 0.002 A 5 TYR HDy H 1 7.202 0.002 A 5 TYR HEx H 1 6.901 0.001 A 5 TYR HEy H 1 6.901 0.001 A 6 ALA H H 1 8.070 0.002 A 6 ALA HA H 1 4.288 0.001 A 6 ALA HB% H 1 1.366 0.001 A 7 ALA H H 1 8.090 0.001 A 7 ALA HA H 1 4.543 0.002 A 7 ALA HB% H 1 1.482 0.004 A 8 PRO HA H 1 4.660 0.001 A 8 PRO HBy H 1 2.393 0.002 A 8 PRO HBx H 1 2.134 0.001 A 8 PRO HDy H 1 3.989 0.003 A 8 PRO HDx H 1 3.574 0.006 A 8 PRO HGy H 1 2.134 0.001 A 8 PRO HGx H 1 2.066 0.001 A 9 LYS H H 1 8.215 0.001 A 9 LYS HA H 1 4.427 0.002 A 9 LYS HB2 H 1 1.762 0.003 A 9 LYS HB3 H 1 1.762 0.003 A 9 LYS HD2 H 1 1.610 0.005 A 9 LYS HD3 H 1 1.610 0.005 A 9 LYS HE2 H 1 3.006 0.000 A 9 LYS HE3 H 1 3.006 0.000 A 9 LYS HGy H 1 1.466 0.006 A 9 LYS HGx H 1 1.109 0.003 A 9 LYS HZ1 H 1 7.515 0.001 A 9 LYS HZ2 H 1 7.515 0.001 A 9 LYS HZ3 H 1 7.515 0.001 A 10 CYS H H 1 8.416 0.001 A 10 CYS HA H 1 4.897 0.001 A 10 CYS HBy H 1 3.248 0.001 A 10 CYS HBx H 1 3.098 0.002 A 11 ARG H H 1 9.500 0.000 A 11 ARG HA H 1 4.496 0.001 A 11 ARG HBx H 1 1.812 0.001 A 11 ARG HBy H 1 1.948 0.000 A 11 ARG HD2 H 1 3.254 0.003 A 11 ARG HD3 H 1 3.254 0.003 A 11 ARG HE H 1 7.381 0.000 A 11 ARG HG2 H 1 1.698 0.001 A 11 ARG HG3 H 1 1.698 0.001 A 12 ARG H H 1 8.144 0.001 A 12 ARG HA H 1 4.790 0.002 A 12 ARG HBy H 1 2.094 0.002 A 12 ARG HBx H 1 1.872 0.002 A 12 ARG HD2 H 1 3.233 0.007 A 12 ARG HD3 H 1 3.233 0.007 A 12 ARG HE H 1 7.226 0.004 A 12 ARG HGx H 1 1.523 0.004 A 12 ARG HGy H 1 1.633 0.003 A 13 ASP H H 1 9.262 0.001 A 13 ASP HA H 1 4.205 0.002 A 13 ASP HBx H 1 2.837 0.005 A 13 ASP HBy H 1 2.995 0.007 A 14 SER H H 1 8.233 0.001 A 14 SER HA H 1 4.370 0.000 A 14 SER HBx H 1 3.901 0.003 A 14 SER HBy H 1 4.186 0.001 A 15 ASP H H 1 7.802 0.001 A 15 ASP HA H 1 4.697 0.001 A 15 ASP HB2 H 1 3.081 0.003 A 15 ASP HB3 H 1 3.081 0.003 A 16 CYS H H 1 8.184 0.001 A 16 CYS HA H 1 5.141 0.002 A 16 CYS HBy H 1 3.022 0.002 A 16 CYS HBx H 1 2.706 0.002 A 17 PRO HA H 1 4.672 0.004 A 17 PRO HBx H 1 2.018 0.003 A 17 PRO HBy H 1 2.352 0.002 A 17 PRO HDx H 1 3.464 0.002 A 17 PRO HDy H 1 3.994 0.001 A 17 PRO HG2 H 1 2.142 0.000 A 17 PRO HG3 H 1 2.142 0.000 A 18 GLY H H 1 8.579 0.002 A 18 GLY HA2 H 1 3.881 0.001 A 18 GLY HA3 H 1 3.881 0.001 A 19 ALA H H 1 8.626 0.002 A 19 ALA HA H 1 4.463 0.000 A 19 ALA HB% H 1 1.459 0.000 A 20 CYS H H 1 8.172 0.001 A 20 CYS HA H 1 4.713 0.002 A 20 CYS HBx H 1 3.243 0.007 A 20 CYS HBy H 1 3.323 0.002 A 21 ILE H H 1 8.947 0.003 A 21 ILE HA H 1 4.501 0.002 A 21 ILE HB H 1 1.999 0.002 A 21 ILE HD1% H 1 0.857 0.016 A 21 ILE HG1y H 1 1.177 0.004 A 21 ILE HG1x H 1 1.047 0.001 A 21 ILE HG2% H 1 0.905 0.003 A 22 CYS H H 1 9.234 0.001 A 22 CYS HA H 1 4.934 0.008 A 22 CYS HBy H 1 2.856 0.003 A 22 CYS HBx H 1 2.571 0.002 A 23 ARG H H 1 8.231 0.002 A 23 ARG HA H 1 4.412 0.001 A 23 ARG HBx H 1 2.075 0.003 A 23 ARG HBy H 1 2.455 0.003 A 23 ARG HD2 H 1 3.256 0.000 A 23 ARG HD3 H 1 3.256 0.000 A 23 ARG HE H 1 7.060 0.000 A 23 ARG HGy H 1 1.776 0.002 A 23 ARG HGx H 1 1.637 0.003 A 24 GLY H H 1 8.892 0.001 A 24 GLY HA2 H 1 3.981 0.001 A 24 GLY HA3 H 1 3.981 0.001 A 25 ASN H H 1 7.912 0.001 A 25 ASN HA H 1 4.748 0.001 A 25 ASN HBx H 1 2.935 0.002 A 25 ASN HBy H 1 3.346 0.001 A 25 ASN HD2x H 1 6.595 0.000 A 25 ASN HD2y H 1 7.618 0.001 A 26 GLY H H 1 8.406 0.002 A 26 GLY HAy H 1 4.062 0.002 A 26 GLY HAx H 1 3.754 0.002 A 27 TYR H H 1 7.365 0.002 A 27 TYR HA H 1 5.111 0.001 A 27 TYR HBy H 1 2.915 0.002 A 27 TYR HBx H 1 2.694 0.002 A 27 TYR HDx H 1 6.996 0.002 A 27 TYR HDy H 1 6.996 0.002 A 27 TYR HEx H 1 6.860 0.018 A 27 TYR HEy H 1 6.860 0.018 A 28 CYS H H 1 8.779 0.001 A 28 CYS HA H 1 5.404 0.002 A 28 CYS HB2 H 1 2.853 0.001 A 28 CYS HB3 H 1 2.853 0.001 A 29 GLY H H 1 9.745 0.001 A 29 GLY HAx H 1 3.889 0.002 A 29 GLY HAy H 1 4.511 0.001 A 30 GLU H H 1 8.585 0.002 A 30 GLU HA H 1 4.503 0.002 A 30 GLU HBy H 1 2.084 0.002 A 30 GLU HBx H 1 1.989 0.004 A 30 GLU HG2 H 1 2.577 0.000 A 30 GLU HG3 H 1 2.577 0.000 A 31 ALA H H 1 8.829 0.002 A 31 ALA HA H 1 4.254 0.002 A 31 ALA HB% H 1 1.362 0.002 A 32 ILE H H 1 8.156 0.003 A 32 ILE HA H 1 3.965 0.000 A 32 ILE HB H 1 1.769 0.001 A 32 ILE HD1% H 1 0.879 0.002 A 32 ILE HG1x H 1 1.147 0.001 A 32 ILE HG1y H 1 1.385 0.001 A 32 ILE HG2% H 1 0.768 0.001 A 33 TYR H H 1 7.746 0.001 A 33 TYR HA H 1 4.633 0.001 A 33 TYR HBx H 1 3.065 0.002 A 33 TYR HBy H 1 3.112 0.000 A 33 TYR HDx H 1 7.167 0.001 A 33 TYR HDy H 1 7.167 0.001 A 33 TYR HEx H 1 6.890 0.000 A 33 TYR HEy H 1 6.890 0.000 A 34 ALA H H 1 7.802 0.001 A 34 ALA HA H 1 4.262 0.001 A 34 ALA HB% H 1 1.384 0.000 A 35 ALA H H 1 8.169 0.001 A 35 ALA HA H 1 4.544 0.000 A 35 ALA HB% H 1 1.320 0.004 A 36 PRO HA H 1 4.286 0.001 A 36 PRO HBy H 1 2.190 0.003 A 36 PRO HBx H 1 1.706 0.002 A 36 PRO HDy H 1 3.801 0.003 A 36 PRO HDx H 1 3.638 0.003 A 36 PRO HG2 H 1 2.011 0.004 A 36 PRO HG3 H 1 2.011 0.004 A 37 PHE H H 1 7.820 0.001 A 37 PHE HA H 1 4.605 0.001 A 37 PHE HBx H 1 3.203 0.002 A 37 PHE HBy H 1 3.242 0.002 A 37 PHE HD1 H 1 7.283 0.001 A 37 PHE HD2 H 1 7.283 0.001 A 37 PHE HE1 H 1 7.420 0.001 A 37 PHE HE2 H 1 7.420 0.001 A 38 ALA H H 1 7.812 0.001 A 38 ALA HA H 1 4.402 0.001 A 38 ALA HB% H 1 1.375 0.003 A 39 ARG H H 1 8.287 0.001 A 39 ARG HA H 1 4.482 0.002 A 39 ARG HBx H 1 1.786 0.002 A 39 ARG HBy H 1 1.885 0.004 A 39 ARG HD2 H 1 3.238 0.000 A 39 ARG HD3 H 1 3.238 0.000 A 39 ARG HE H 1 7.239 0.000 A 39 ARG HGy H 1 1.691 0.000 A 39 ARG HGx H 1 1.645 0.001 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 . 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 30 GLU H A 30 GLU HA 1.0 1.8 2.71 2 2 A 14 SER H A 14 SER HA 1.0 1.8 2.93 3 3 A 37 PHE H A 37 PHE HA 1.0 1.8 2.90 4 4 A 10 CYS H A 10 CYS HBy 1.0 1.8 4.04 5 5 A 10 CYS H A 10 CYS HBx 1.0 1.8 4.04 6 6 A 10 CYS HA A 11 ARG H 1.0 1.8 2.80 7 7 A 11 ARG H A 11 ARG HBy 1.0 1.8 3.79 8 8 A 11 ARG H A 11 ARG HBx 1.0 1.8 3.79 9 9 A 11 ARG H A 12 ARG H 1.0 1.8 2.62 10 10 A 12 ARG H A 12 ARG HBy 1.0 1.8 3.83 11 11 A 12 ARG H A 12 ARG HBx 1.0 1.8 3.83 12 12 A 10 CYS HA A 12 ARG H 1.0 1.8 4.00 13 13 A 12 ARG HA A 13 ASP H 1.0 1.8 2.68 14 14 A 13 ASP H A 12 ARG HBy 1.0 1.8 3.21 15 15 A 13 ASP H A 12 ARG HBx 1.0 1.8 3.50 16 16 A 13 ASP H A 13 ASP HBx 1.0 1.8 3.33 17 17 A 13 ASP H A 13 ASP HBy 1.0 1.8 3.33 18 18 A 13 ASP HA A 22 CYS H 1.0 1.8 3.50 19 19 A 14 SER H A 13 ASP HBx 1.0 1.8 3.48 20 20 A 14 SER H A 13 ASP HBy 1.0 1.8 3.48 21 21 A 14 SER H A 14 SER HBx 1.0 1.8 3.50 22 22 A 14 SER H A 14 SER HBy 1.0 1.8 3.50 23 23 A 14 SER HA A 15 ASP H 1.0 1.8 4.00 24 24 A 15 ASP H A 14 SER HBx 1.0 1.8 4.23 25 25 A 15 ASP H A 14 SER HBy 1.0 1.8 4.23 26 26 A 15 ASP H A 15 ASP HB2 1.0 1.8 3.90 27 26 A 15 ASP H A 15 ASP HB3 1.0 1.8 3.90 28 27 A 16 CYS H A 16 CYS HBy 1.0 1.8 3.50 29 28 A 16 CYS H A 16 CYS HBx 1.0 1.8 3.50 30 29 A 16 CYS H A 15 ASP HB2 1.0 1.8 4.58 31 29 A 15 ASP HB3 A 16 CYS H 1.0 1.8 4.58 32 30 A 17 PRO HA A 18 GLY H 1.0 1.8 2.68 33 31 A 19 ALA HA A 20 CYS H 1.0 1.8 4.00 34 32 A 20 CYS H A 18 GLY HA2 1.0 1.8 4.98 35 32 A 20 CYS H A 18 GLY HA3 1.0 1.8 4.98 36 33 A 20 CYS H A 20 CYS HBy 1.0 1.8 3.50 37 34 A 20 CYS H A 20 CYS HBx 1.0 1.8 3.50 38 35 A 20 CYS HA A 21 ILE H 1.0 1.8 2.83 39 36 A 21 ILE H A 20 CYS HBx 1.0 1.8 3.79 40 37 A 21 ILE H A 20 CYS HBy 1.0 1.8 3.79 41 38 A 21 ILE H A 21 ILE HB 1.0 1.8 3.92 42 39 A 21 ILE H A 28 CYS HA 1.0 1.8 4.57 43 40 A 22 CYS H A 21 ILE HA 1.0 1.8 2.87 44 41 A 22 CYS H A 22 CYS HBx 1.0 1.8 3.21 45 42 A 22 CYS H A 22 CYS HBy 1.0 1.8 3.21 46 43 A 22 CYS H A 21 ILE HB 1.0 1.8 2.80 47 44 A 22 CYS HA A 23 ARG H 1.0 1.8 2.68 48 45 A 28 CYS HA A 23 ARG H 1.0 1.8 3.48 49 46 A 28 CYS HA A 22 CYS HA 1.0 1.8 3.08 50 47 A 23 ARG H A 23 ARG HBy 1.0 1.8 3.50 51 48 A 23 ARG H A 23 ARG HBx 1.0 1.8 3.50 52 49 A 23 ARG HA A 24 GLY H 1.0 1.8 2.83 53 50 A 24 GLY H A 23 ARG HBx 1.0 1.8 3.42 54 51 A 24 GLY H A 23 ARG HBy 1.0 1.8 3.42 55 52 A 25 ASN H A 25 ASN HBy 1.0 1.8 3.67 56 53 A 25 ASN H A 25 ASN HBx 1.0 1.8 3.67 57 54 A 25 ASN H A 23 ARG HBx 1.0 1.8 3.55 58 55 A 25 ASN H A 23 ARG HBy 1.0 1.8 3.55 59 56 A 27 TYR H A 27 TYR HBx 1.0 1.8 3.58 60 57 A 27 TYR H A 27 TYR HBy 1.0 1.8 3.58 61 58 A 27 TYR HA A 9 LYS HA 1.0 1.8 3.21 62 59 A 10 CYS H A 27 TYR HA 1.0 1.8 3.42 63 60 A 27 TYR HA A 28 CYS H 1.0 1.8 3.00 64 61 A 27 TYR H A 9 LYS HA 1.0 1.8 4.54 65 62 A 9 LYS HA A 28 CYS H 1.0 1.8 3.89 66 63 A 28 CYS H A 27 TYR HBy 1.0 1.8 4.00 67 64 A 28 CYS H A 27 TYR HBx 1.0 1.8 4.00 68 65 A 28 CYS HA A 29 GLY H 1.0 1.8 2.71 69 66 A 22 CYS HA A 29 GLY H 1.0 1.8 3.86 70 67 A 20 CYS HA A 29 GLY H 1.0 1.8 4.45 71 68 A 29 GLY H A 28 CYS HB2 1.0 1.8 4.71 72 68 A 29 GLY H A 28 CYS HB3 1.0 1.8 4.71 73 69 A 30 GLU H A 29 GLY . 1.0 1.8 3.50 74 70 A 30 GLU H A 29 GLY . 1.0 1.8 3.50 75 71 A 30 GLU H A 30 GLU HBx 1.0 1.8 3.05 76 72 A 30 GLU H A 30 GLU HBy 1.0 1.8 3.05 77 73 A 30 GLU HA A 31 ALA H 1.0 1.8 3.50 78 74 A 31 ALA H A 30 GLU HBx 1.0 1.8 3.70 79 75 A 31 ALA H A 30 GLU HBy 1.0 1.8 3.70 80 76 A 20 CYS HA A 31 ALA H 1.0 1.8 4.23 81 77 A 31 ALA HA A 32 ILE H 1.0 1.8 3.50 82 78 A 32 ILE H A 32 ILE HB 1.0 1.8 3.02 83 79 A 33 TYR H A 33 TYR HBy 1.0 1.8 3.52 84 80 A 33 TYR H A 33 TYR HBx 1.0 1.8 3.52 85 81 A 33 TYR H A 32 ILE HA 1.0 1.8 3.14 86 82 A 33 TYR HA A 34 ALA H 1.0 1.8 3.50 87 83 A 34 ALA HA A 35 ALA H 1.0 1.8 3.50 88 84 A 37 PHE H A 37 PHE HBy 1.0 1.8 3.24 89 85 A 37 PHE H A 37 PHE HBx 1.0 1.8 3.24 90 86 A 37 PHE HA A 38 ALA H 1.0 1.8 3.50 91 87 A 38 ALA HA A 39 ARG H 1.0 1.8 2.77 92 88 A 39 ARG H A 39 ARG HBx 1.0 1.8 3.58 93 89 A 39 ARG H A 39 ARG HBy 1.0 1.8 3.58 94 90 A 1 CYS HA A 2 GLU H 1.0 1.8 2.96 95 91 A 2 GLU H A 1 CYS HB2 1.0 1.8 5.20 96 91 A 1 CYS HB3 A 2 GLU H 1.0 1.8 5.20 97 92 A 2 GLU H A 2 GLU HBy 1.0 1.8 3.79 98 93 A 2 GLU H A 2 GLU HBx 1.0 1.8 3.79 99 94 A 3 ALA HA A 4 ILE H 1.0 1.8 2.96 100 95 A 4 ILE H A 4 ILE HB 1.0 1.8 3.17 101 96 A 4 ILE HA A 5 TYR H 1.0 1.8 3.50 102 97 A 5 TYR H A 5 TYR HBy 1.0 1.8 3.21 103 98 A 5 TYR H A 5 TYR HBx 1.0 1.8 3.21 104 99 A 5 TYR HA A 6 ALA H 1.0 1.8 3.50 105 100 A 6 ALA H A 5 TYR HBy 1.0 1.8 3.61 106 101 A 6 ALA H A 5 TYR HBx 1.0 1.8 3.61 107 102 A 6 ALA HA A 7 ALA H 1.0 1.8 3.50 108 103 A 21 ILE H A 29 GLY H 1.0 1.8 3.33 109 104 A 28 CYS H A 29 GLY H 1.0 1.8 4.57 110 105 A 30 GLU H A 29 GLY H 1.0 1.8 4.45 111 106 A 23 ARG H A 29 GLY H 1.0 1.8 4.48 112 107 A 14 SER H A 13 ASP H 1.0 1.8 3.21 113 108 A 13 ASP H A 15 ASP H 1.0 1.8 4.42 114 109 A 24 GLY H A 25 ASN H 1.0 1.8 3.39 115 110 A 23 ARG H A 24 GLY H 1.0 1.8 4.60 116 111 A 31 ALA H A 32 ILE H 1.0 1.8 3.92 117 112 A 31 ALA H A 32 ILE HA 1.0 1.8 5.00 118 113 A 27 TYR H A 28 CYS H 1.0 1.8 4.45 119 114 A 20 CYS H A 19 ALA H 1.0 1.8 3.24 120 115 A 10 CYS H A 9 LYS HA 1.0 1.8 2.65 121 116 A 8 PRO HA A 9 LYS H 1.0 1.8 2.65 122 117 A 25 ASN H A 26 GLY H 1.0 1.8 3.08 123 118 A 27 TYR H A 26 GLY H 1.0 1.8 2.99 124 119 A 26 GLY H A 23 ARG HBy 1.0 1.8 4.45 125 120 A 37 PHE H A 39 ARG H 1.0 1.8 4.07 126 121 A 14 SER H A 12 ARG HA 1.0 1.8 4.04 127 122 A 14 SER H A 15 ASP H 1.0 1.8 3.21 128 123 A 23 ARG H A 27 TYR H 1.0 1.8 4.04 129 124 A 15 ASP H A 16 CYS H 1.0 1.8 2.83 130 125 A 12 ARG H A 15 ASP HB2 1.0 1.8 4.40 131 125 A 12 ARG H A 15 ASP HB3 1.0 1.8 4.40 132 126 A 12 ARG H A 11 ARG HBx 1.0 1.8 3.70 133 127 A 12 ARG H A 11 ARG HBy 1.0 1.8 3.70 134 128 A 4 ILE H A 3 ALA H 1.0 1.8 3.92 135 129 A 3 ALA H A 2 GLU HBy 1.0 1.8 3.83 136 130 A 3 ALA H A 2 GLU HBx 1.0 1.8 3.83 137 131 A 4 ILE HA A 6 ALA H 1.0 1.8 4.54 138 132 A 4 ILE HB A 5 TYR H 1.0 1.8 3.36 139 133 A 3 ALA HA A 5 TYR H 1.0 1.8 4.14 140 134 A 25 ASN H A 27 TYR H 1.0 1.8 4.20 141 135 A 37 PHE H A 36 PRO HA 1.0 1.8 3.50 142 136 A 37 PHE H A 36 PRO HBy 1.0 1.8 4.11 143 137 A 37 PHE H A 36 PRO HBx 1.0 1.8 4.11 144 138 A 15 ASP H A 12 ARG HBy 1.0 1.8 5.00 145 139 A 15 ASP H A 12 ARG HBx 1.0 1.8 5.00 146 140 A 32 ILE HB A 33 TYR H 1.0 1.8 3.76 147 141 A 13 ASP HA A 21 ILE HA 1.0 1.8 3.76 148 142 A 26 GLY H A 23 ARG HBx 1.0 1.8 4.45 149 143 A 11 ARG H A 11 ARG HD2 1.0 1.8 5.48 150 143 A 11 ARG H A 11 ARG HD3 1.0 1.8 5.48 151 144 A 11 ARG H A 11 ARG HG2 1.0 1.8 5.89 152 144 A 11 ARG H A 11 ARG HG3 1.0 1.8 5.89 153 145 A 11 ARG HE A 11 ARG HBy 1.0 1.8 5.50 154 146 A 11 ARG HE A 11 ARG HBx 1.0 1.8 5.50 155 147 A 11 ARG HA A 11 ARG HD2 1.0 1.8 5.70 156 147 A 11 ARG HD3 A 11 ARG HA 1.0 1.8 5.70 157 148 A 12 ARG H A 12 ARG HD2 1.0 1.8 5.23 158 148 A 12 ARG H A 12 ARG HD3 1.0 1.8 5.23 159 149 A 12 ARG HE A 12 ARG HBy 1.0 1.8 5.00 160 150 A 12 ARG HE A 12 ARG HBx 1.0 1.8 5.00 161 151 A 21 ILE H A 21 ILE HG1y 1.0 1.8 3.98 162 152 A 21 ILE H A 21 ILE HG1x 1.0 1.8 3.98 163 153 A 23 ARG HE A 23 ARG HBx 1.0 1.8 5.41 164 154 A 23 ARG HE A 23 ARG HBy 1.0 1.8 5.41 165 155 A 23 ARG H A 23 ARG HGx 1.0 1.8 3.45 166 156 A 23 ARG H A 23 ARG HGy 1.0 1.8 3.45 167 157 A 23 ARG H A 23 ARG HD2 1.0 1.8 6.38 168 157 A 23 ARG H A 23 ARG HD3 1.0 1.8 6.38 169 158 A 24 GLY H A 23 ARG HGx 1.0 1.8 5.50 170 159 A 24 GLY H A 23 ARG HGy 1.0 1.8 5.50 171 160 A 23 ARG HA A 23 ARG HD2 1.0 1.8 5.54 172 160 A 23 ARG HA A 23 ARG HD3 1.0 1.8 5.54 173 161 A 23 ARG HA A 23 ARG HGy 1.0 1.8 3.92 174 162 A 23 ARG HA A 23 ARG HGx 1.0 1.8 3.92 175 163 A 27 TYR H A 27 TYR HD% 1.0 1.8 7.41 176 164 A 27 TYR HA A 27 TYR HD% 1.0 1.8 6.64 177 165 A 9 LYS HA A 27 TYR HD% 1.0 1.8 7.01 178 166 A 9 LYS HA A 27 TYR HE% 1.0 1.8 7.63 179 167 A 29 GLY H A 23 ARG HGx 1.0 1.8 5.47 180 168 A 29 GLY H A 23 ARG HGy 1.0 1.8 5.47 181 169 A 30 GLU H A 30 GLU HG2 1.0 1.8 5.05 182 169 A 30 GLU H A 30 GLU HG3 1.0 1.8 5.05 183 170 A 31 ALA H A 30 GLU HG2 1.0 1.8 6.17 184 170 A 31 ALA H A 30 GLU HG3 1.0 1.8 6.17 185 171 A 32 ILE H A 32 ILE HG1x 1.0 1.8 4.17 186 172 A 32 ILE H A 32 ILE HG1y 1.0 1.8 4.17 187 173 A 33 TYR HA A 33 TYR HD% 1.0 1.8 6.39 188 174 A 39 ARG H A 39 ARG HGx 1.0 1.8 4.45 189 175 A 39 ARG H A 39 ARG HGy 1.0 1.8 4.45 190 176 A 39 ARG H A 39 ARG HD2 1.0 1.8 6.38 191 176 A 39 ARG H A 39 ARG HD3 1.0 1.8 6.38 192 177 A 39 ARG HA A 39 ARG HE 1.0 1.8 5.50 193 178 A 39 ARG HE A 39 ARG HBx 1.0 1.8 5.50 194 179 A 39 ARG HE A 39 ARG HBy 1.0 1.8 5.50 195 180 A 39 ARG HA A 39 ARG HD2 1.0 1.8 5.61 196 180 A 39 ARG HA A 39 ARG HD3 1.0 1.8 5.61 197 181 A 2 GLU H A 2 GLU HG2 1.0 1.8 6.20 198 181 A 2 GLU H A 2 GLU HG3 1.0 1.8 6.20 199 182 A 4 ILE H A 4 ILE HG1y 1.0 1.8 4.23 200 183 A 4 ILE H A 4 ILE HG1x 1.0 1.8 4.23 201 184 A 5 TYR HA A 5 TYR HD% 1.0 1.8 6.36 202 185 A 13 ASP H A 12 ARG HGy 1.0 1.8 5.50 203 186 A 13 ASP H A 12 ARG HGx 1.0 1.8 5.50 204 187 A 24 GLY H A 23 ARG HD2 1.0 1.8 6.38 205 187 A 24 GLY H A 23 ARG HD3 1.0 1.8 6.38 206 188 A 28 CYS H A 27 TYR HD% 1.0 1.8 7.63 207 189 A 30 GLU H A 23 ARG HD2 1.0 1.8 6.38 208 189 A 30 GLU H A 23 ARG HD3 1.0 1.8 6.38 209 190 A 16 CYS HA A 17 PRO HDx 1.0 1.8 3.39 210 191 A 16 CYS HA A 17 PRO HDy 1.0 1.8 3.39 211 192 A 9 LYS HZ% A 9 LYS HGy 1.0 1.8 6.48 212 193 A 9 LYS HZ% A 9 LYS HGx 1.0 1.8 6.48 213 194 A 9 LYS HZ% A 9 LYS HB2 1.0 1.8 7.36 214 194 A 9 LYS HZ% A 9 LYS HB3 1.0 1.8 7.36 215 195 A 9 LYS H A 9 LYS HD2 1.0 1.8 4.71 216 195 A 9 LYS H A 9 LYS HD3 1.0 1.8 4.71 217 196 A 26 GLY H A 27 TYR HD% 1.0 1.8 7.63 218 197 A 10 CYS H A 9 LYS HB2 1.0 1.8 5.39 219 197 A 10 CYS H A 9 LYS HB3 1.0 1.8 5.39 220 198 A 10 CYS H A 9 LYS HGy 1.0 1.8 5.50 221 199 A 10 CYS H A 9 LYS HGx 1.0 1.8 5.50 222 200 A 14 SER H A 12 ARG HE 1.0 1.8 5.50 223 201 A 12 ARG H A 22 CYS HBy 1.0 1.8 5.50 224 202 A 12 ARG H A 22 CYS HBx 1.0 1.8 5.50 225 203 A 3 ALA H A 2 GLU HG2 1.0 1.8 6.38 226 203 A 3 ALA H A 2 GLU HG3 1.0 1.8 6.38 227 204 A 7 ALA H A 8 PRO HDy 1.0 1.8 5.50 228 205 A 7 ALA H A 8 PRO HDx 1.0 1.8 5.50 229 206 A 6 ALA H A 5 TYR HD% 1.0 1.8 7.63 230 207 A 5 TYR H A 5 TYR HD% 1.0 1.8 7.63 231 208 A 5 TYR H A 4 ILE HG1y 1.0 1.8 5.41 232 209 A 5 TYR H A 4 ILE HG1x 1.0 1.8 5.41 233 210 A 37 PHE HA A 37 PHE HD% 1.0 1.8 7.01 234 211 A 37 PHE H A 37 PHE HD% 1.0 1.8 7.63 235 212 A 35 ALA HA A 36 PRO HDy 1.0 1.8 3.73 236 213 A 35 ALA HA A 36 PRO HDx 1.0 1.8 3.73 237 214 A 33 TYR H A 33 TYR HD% 1.0 1.8 7.63 238 215 A 27 TYR HE% A 9 LYS HD2 1.0 1.8 8.52 239 215 A 27 TYR HE% A 9 LYS HD3 1.0 1.8 8.52 240 216 A 27 TYR HE% A 9 LYS HB2 1.0 1.8 8.51 241 216 A 27 TYR HE% A 9 LYS HB3 1.0 1.8 8.51 242 217 A 27 TYR HE% A 9 LYS HE2 1.0 1.8 8.52 243 217 A 27 TYR HE% A 9 LYS HE3 1.0 1.8 8.52 244 218 A 27 TYR HD% A 9 LYS HD2 1.0 1.8 8.51 245 218 A 27 TYR HD% A 9 LYS HD3 1.0 1.8 8.51 246 219 A 7 ALA HA A 8 PRO HDx 1.0 1.8 3.42 247 220 A 7 ALA HA A 8 PRO HDy 1.0 1.8 3.42 248 221 A 13 ASP HA A 22 CYS HBx 1.0 1.8 3.92 249 222 A 13 ASP HA A 22 CYS HBy 1.0 1.8 3.92 250 223 A 9 LYS HB2 A 9 LYS HE2 1.0 1.8 7.26 251 223 A 9 LYS HB3 A 9 LYS HE2 1.0 1.8 7.26 252 223 A 9 LYS HE3 A 9 LYS HB2 1.0 1.8 7.26 253 223 A 9 LYS HB3 A 9 LYS HE3 1.0 1.8 7.26 254 224 A 23 ARG HD3 A 21 ILE HG1x 1.0 1.8 6.38 255 224 A 21 ILE HG1x A 23 ARG HD2 1.0 1.8 6.38 256 225 A 23 ARG HD3 A 21 ILE HG1y 1.0 1.8 6.38 257 225 A 21 ILE HG1y A 23 ARG HD2 1.0 1.8 6.38 258 226 A 31 ALA HA A 21 ILE HG1y 1.0 1.8 5.31 259 227 A 31 ALA HA A 21 ILE HG1x 1.0 1.8 5.31 260 228 A 37 PHE HD% A 36 PRO HG2 1.0 1.8 8.52 261 228 A 37 PHE HD% A 36 PRO HG3 1.0 1.8 8.52 262 229 A 17 PRO HDy A 16 CYS HBx 1.0 1.8 5.38 263 230 A 16 CYS HBy A 17 PRO HDy 1.0 1.8 5.38 264 231 A 16 CYS HBx A 17 PRO HDx 1.0 1.8 5.38 265 232 A 16 CYS HBy A 17 PRO HDx 1.0 1.8 5.38 266 233 A 28 CYS HB3 A 8 PRO HDy 1.0 1.8 6.38 267 233 A 8 PRO HDy A 28 CYS HB2 1.0 1.8 6.38 268 234 A 28 CYS HB3 A 8 PRO HDx 1.0 1.8 6.38 269 234 A 8 PRO HDx A 28 CYS HB2 1.0 1.8 6.38 270 235 A 21 ILE H A 21 ILE HD1% 1.0 1.8 5.75 271 236 A 21 ILE H A 21 ILE HG2% 1.0 1.8 5.22 272 237 A 22 CYS H A 21 ILE HG2% 1.0 1.8 5.22 273 238 A 22 CYS H A 21 ILE HD1% 1.0 1.8 5.96 274 239 A 31 ALA H A 31 ALA HB% 1.0 1.8 4.01 275 240 A 31 ALA H A 21 ILE HD1% 1.0 1.8 6.52 276 241 A 31 ALA H A 21 ILE HG2% 1.0 1.8 6.52 277 242 A 32 ILE H A 32 ILE HG2% 1.0 1.8 5.22 278 243 A 32 ILE H A 32 ILE HD1% 1.0 1.8 5.96 279 244 A 32 ILE HG2% A 32 ILE HD1% 1.0 1.8 7.54 280 245 A 34 ALA H A 34 ALA HB% 1.0 1.8 3.85 281 246 A 35 ALA H A 35 ALA HB% 1.0 1.8 4.01 282 247 A 38 ALA H A 38 ALA HB% 1.0 1.8 3.76 283 248 A 39 ARG H A 38 ALA HB% 1.0 1.8 5.00 284 249 A 3 ALA H A 3 ALA HB% 1.0 1.8 4.04 285 250 A 4 ILE H A 3 ALA HB% 1.0 1.8 4.94 286 251 A 4 ILE H A 4 ILE HG2% 1.0 1.8 5.28 287 252 A 4 ILE H A 4 ILE HD1% 1.0 1.8 6.52 288 253 A 4 ILE HA A 4 ILE HD1% 1.0 1.8 5.47 289 254 A 6 ALA H A 6 ALA HB% 1.0 1.8 4.04 290 255 A 7 ALA H A 7 ALA HB% 1.0 1.8 3.88 291 256 A 28 CYS H A 7 ALA HB% 1.0 1.8 6.05 292 257 A 23 ARG H A 21 ILE HD1% 1.0 1.8 6.52 293 258 A 6 ALA H A 4 ILE HG2% 1.0 1.8 6.46 294 259 A 5 TYR H A 4 ILE HG2% 1.0 1.8 5.53 295 260 A 5 TYR H A 3 ALA HB% 1.0 1.8 5.62 296 261 A 33 TYR H A 32 ILE HG2% 1.0 1.8 5.77 297 262 A 31 ALA HA A 21 ILE HD1% 1.0 1.8 4.69 298 263 A 21 ILE HD1% A 23 ARG HD2 1.0 1.8 6.94 299 263 A 23 ARG HD3 A 21 ILE HD1% 1.0 1.8 6.94 300 264 A 21 ILE HG2% A 23 ARG HD2 1.0 1.8 7.40 301 264 A 23 ARG HD3 A 21 ILE HG2% 1.0 1.8 7.40 302 265 A 21 ILE HD1% A 13 ASP HBy 1.0 1.8 6.52 303 266 A 21 ILE HD1% A 13 ASP HBx 1.0 1.8 6.52 304 267 A 31 ALA HA A 21 ILE HG2% 1.0 1.8 5.84 305 268 A 21 ILE HA A 21 ILE HD1% 1.0 1.8 5.44 306 269 A 21 ILE HA A 21 ILE HG2% 1.0 1.8 4.01 307 270 A 21 ILE HG2% A 31 ALA HB% 1.0 1.8 7.26 308 271 A 7 ALA HB% A 8 PRO HDx 1.0 1.8 5.37 309 272 A 23 ARG HE A 21 ILE HD1% 1.0 1.8 6.52 310 273 A 5 TYR HD% A 4 ILE HG2% 1.0 1.8 8.65 311 274 A 30 GLU H A 38 ALA HB% 1.0 1.8 6.52 312 275 A 4 ILE HG2% A 5 TYR HE% 1.0 1.8 8.65 313 276 A 4 ILE HD1% A 5 TYR HE% 1.0 1.8 8.65 314 277 A 33 TYR HD% A 32 ILE HG2% 1.0 1.8 8.65 315 278 A 37 PHE HD% A 38 ALA HB% 1.0 1.8 8.65 316 279 A 32 ILE HA A 32 ILE HD1% 1.0 1.8 5.44 317 280 A 20 CYS HA A 21 ILE HG2% 1.0 1.8 6.46 318 281 A 7 ALA HB% A 8 PRO HDy 1.0 1.8 5.37 319 282 A 6 ALA HA A 7 ALA HB% 1.0 1.8 6.02 320 283 A 5 TYR HA A 4 ILE HG2% 1.0 1.8 6.15 321 284 A 23 ARG HA A 21 ILE HD1% 1.0 1.8 5.84 322 285 A 19 ALA HB% A 18 GLY HA2 1.0 1.8 7.40 323 285 A 18 GLY HA3 A 19 ALA HB% 1.0 1.8 7.40 324 286 A 35 ALA HB% A 36 PRO HDx 1.0 1.8 5.22 325 287 A 35 ALA HB% A 36 PRO HDy 1.0 1.8 5.22 326 288 A 33 TYR H A 34 ALA HB% 1.0 1.8 5.28 327 289 A 5 TYR HD% A 6 ALA HB% 1.0 1.8 8.65 328 290 A 6 ALA HB% A 5 TYR HE% 1.0 1.8 8.65 329 291 A 33 TYR HD% A 34 ALA HB% 1.0 1.8 8.49 330 292 A 35 ALA HB% A 37 PHE HE% 1.0 1.8 8.65 331 293 A 4 ILE HG2% A 7 ALA HB% 1.0 1.8 7.54 332 294 A 10 CYS H A 10 CYS HBx 1.0 1.8 3.37 333 294 A 10 CYS H A 10 CYS HBy 1.0 1.8 3.37 334 295 A 10 CYS HA A 10 CYS HBx 1.0 1.8 2.58 335 295 A 10 CYS HA A 10 CYS HBy 1.0 1.8 2.58 336 296 A 11 ARG H A 10 CYS HBx 1.0 1.8 3.26 337 296 A 11 ARG H A 10 CYS HBy 1.0 1.8 3.26 338 297 A 10 CYS HBx A 22 CYS HBx 1.0 1.8 4.09 339 297 A 10 CYS HBy A 22 CYS HBx 1.0 1.8 4.09 340 297 A 22 CYS HBy A 10 CYS HBx 1.0 1.8 4.09 341 297 A 10 CYS HBy A 22 CYS HBy 1.0 1.8 4.09 342 298 A 28 CYS H A 10 CYS HBx 1.0 1.8 5.34 343 298 A 28 CYS H A 10 CYS HBy 1.0 1.8 5.34 344 299 A 28 CYS HA A 10 CYS HBx 1.0 1.8 5.34 345 299 A 28 CYS HA A 10 CYS HBy 1.0 1.8 5.34 346 300 A 11 ARG H A 11 ARG HBy 1.0 1.8 3.09 347 300 A 11 ARG H A 11 ARG HBx 1.0 1.8 3.09 348 301 A 11 ARG HE A 11 ARG HBy 1.0 1.8 4.75 349 301 A 11 ARG HE A 11 ARG HBx 1.0 1.8 4.75 350 302 A 12 ARG H A 11 ARG HBy 1.0 1.8 3.50 351 302 A 12 ARG H A 11 ARG HBx 1.0 1.8 3.50 352 303 A 12 ARG H A 12 ARG HBx 1.0 1.8 3.23 353 303 A 12 ARG H A 12 ARG HBy 1.0 1.8 3.23 354 304 A 12 ARG H A 12 ARG HGy 1.0 1.8 3.71 355 304 A 12 ARG H A 12 ARG HGx 1.0 1.8 3.71 356 305 A 12 ARG HE A 12 ARG HBx 1.0 1.8 4.40 357 305 A 12 ARG HE A 12 ARG HBy 1.0 1.8 4.40 358 306 A 13 ASP H A 12 ARG HBx 1.0 1.8 2.75 359 306 A 13 ASP H A 12 ARG HBy 1.0 1.8 2.75 360 307 A 14 SER H A 12 ARG HBx 1.0 1.8 3.38 361 307 A 14 SER H A 12 ARG HBy 1.0 1.8 3.38 362 308 A 15 ASP H A 12 ARG HBx 1.0 1.8 3.71 363 308 A 15 ASP H A 12 ARG HBy 1.0 1.8 3.71 364 309 A 14 SER H A 12 ARG HGy 1.0 1.8 3.62 365 309 A 14 SER H A 12 ARG HGx 1.0 1.8 3.62 366 310 A 15 ASP H A 12 ARG HGy 1.0 1.8 4.11 367 310 A 15 ASP H A 12 ARG HGx 1.0 1.8 4.11 368 311 A 12 ARG HD3 A 14 SER HBy 1.0 1.8 6.02 369 311 A 12 ARG HD2 A 14 SER HBy 1.0 1.8 6.02 370 311 A 14 SER HBx A 12 ARG HD2 1.0 1.8 6.02 371 311 A 12 ARG HD3 A 14 SER HBx 1.0 1.8 6.02 372 312 A 13 ASP H A 13 ASP HBy 1.0 1.8 2.69 373 312 A 13 ASP H A 13 ASP HBx 1.0 1.8 2.69 374 313 A 13 ASP HA A 22 CYS HBx 1.0 1.8 3.40 375 313 A 13 ASP HA A 22 CYS HBy 1.0 1.8 3.40 376 314 A 14 SER H A 13 ASP HBy 1.0 1.8 2.89 377 314 A 14 SER H A 13 ASP HBx 1.0 1.8 2.89 378 315 A 21 ILE HB A 13 ASP HBy 1.0 1.8 4.85 379 315 A 21 ILE HB A 13 ASP HBx 1.0 1.8 4.85 380 316 A 21 ILE HG2% A 13 ASP HBy 1.0 1.8 5.31 381 316 A 21 ILE HG2% A 13 ASP HBx 1.0 1.8 5.31 382 317 A 13 ASP HBy A 22 CYS HBx 1.0 1.8 4.94 383 317 A 22 CYS HBy A 13 ASP HBy 1.0 1.8 4.94 384 317 A 22 CYS HBy A 13 ASP HBx 1.0 1.8 4.94 385 317 A 13 ASP HBx A 22 CYS HBx 1.0 1.8 4.94 386 318 A 14 SER H A 14 SER HBy 1.0 1.8 2.71 387 318 A 14 SER H A 14 SER HBx 1.0 1.8 2.71 388 319 A 15 ASP H A 14 SER HBy 1.0 1.8 3.50 389 319 A 15 ASP H A 14 SER HBx 1.0 1.8 3.50 390 320 A 16 CYS H A 16 CYS HBx 1.0 1.8 3.00 391 320 A 16 CYS H A 16 CYS HBy 1.0 1.8 3.00 392 321 A 16 CYS H A 17 PRO HDx 1.0 1.8 5.35 393 321 A 16 CYS H A 17 PRO HDy 1.0 1.8 5.35 394 322 A 16 CYS HA A 17 PRO HDx 1.0 1.8 2.90 395 322 A 16 CYS HA A 17 PRO HDy 1.0 1.8 2.90 396 323 A 16 CYS HBy A 17 PRO HDx 1.0 1.8 3.76 397 323 A 16 CYS HBx A 17 PRO HDx 1.0 1.8 3.76 398 323 A 17 PRO HDy A 16 CYS HBx 1.0 1.8 3.76 399 323 A 16 CYS HBy A 17 PRO HDy 1.0 1.8 3.76 400 324 A 16 CYS HBx A 20 CYS HBy 1.0 1.8 3.59 401 324 A 16 CYS HBy A 20 CYS HBy 1.0 1.8 3.59 402 324 A 20 CYS HBx A 16 CYS HBx 1.0 1.8 3.59 403 324 A 16 CYS HBy A 20 CYS HBx 1.0 1.8 3.59 404 325 A 21 ILE HA A 16 CYS HBx 1.0 1.8 4.21 405 325 A 21 ILE HA A 16 CYS HBy 1.0 1.8 4.21 406 326 A 29 GLY H A 16 CYS HBx 1.0 1.8 5.34 407 326 A 29 GLY H A 16 CYS HBy 1.0 1.8 5.34 408 327 A 18 GLY H A 17 PRO HBx 1.0 1.8 3.50 409 327 A 18 GLY H A 17 PRO HBy 1.0 1.8 3.50 410 328 A 17 PRO HDx A 28 CYS HB2 1.0 1.8 6.17 411 328 A 17 PRO HDy A 28 CYS HB2 1.0 1.8 6.17 412 328 A 28 CYS HB3 A 17 PRO HDx 1.0 1.8 6.17 413 328 A 28 CYS HB3 A 17 PRO HDy 1.0 1.8 6.17 414 329 A 19 ALA H A 20 CYS HBy 1.0 1.8 4.44 415 329 A 19 ALA H A 20 CYS HBx 1.0 1.8 4.44 416 330 A 20 CYS H A 20 CYS HBy 1.0 1.8 2.75 417 330 A 20 CYS H A 20 CYS HBx 1.0 1.8 2.75 418 331 A 21 ILE H A 20 CYS HBy 1.0 1.8 3.07 419 331 A 21 ILE H A 20 CYS HBx 1.0 1.8 3.07 420 332 A 28 CYS HA A 20 CYS HBy 1.0 1.8 5.34 421 332 A 28 CYS HA A 20 CYS HBx 1.0 1.8 5.34 422 333 A 29 GLY H A 20 CYS HBy 1.0 1.8 4.03 423 333 A 29 GLY H A 20 CYS HBx 1.0 1.8 4.03 424 334 A 21 ILE H A 21 ILE HG1x 1.0 1.8 3.49 425 334 A 21 ILE H A 21 ILE HG1y 1.0 1.8 3.49 426 335 A 22 CYS H A 21 ILE HG1x 1.0 1.8 5.34 427 335 A 22 CYS H A 21 ILE HG1y 1.0 1.8 5.34 428 336 A 31 ALA H A 21 ILE HG1x 1.0 1.8 5.34 429 336 A 31 ALA H A 21 ILE HG1y 1.0 1.8 5.34 430 337 A 31 ALA HA A 21 ILE HG1x 1.0 1.8 4.49 431 337 A 31 ALA HA A 21 ILE HG1y 1.0 1.8 4.49 432 338 A 21 ILE HD1% A 23 ARG HGx 1.0 1.8 6.26 433 338 A 21 ILE HD1% A 23 ARG HGy 1.0 1.8 6.26 434 339 A 23 ARG H A 23 ARG HBy 1.0 1.8 2.71 435 339 A 23 ARG H A 23 ARG HBx 1.0 1.8 2.71 436 340 A 23 ARG H A 23 ARG HGx 1.0 1.8 2.97 437 340 A 23 ARG H A 23 ARG HGy 1.0 1.8 2.97 438 341 A 23 ARG HA A 23 ARG HGx 1.0 1.8 3.35 439 341 A 23 ARG HA A 23 ARG HGy 1.0 1.8 3.35 440 342 A 23 ARG HE A 23 ARG HBy 1.0 1.8 4.66 441 342 A 23 ARG HE A 23 ARG HBx 1.0 1.8 4.66 442 343 A 24 GLY H A 23 ARG HBy 1.0 1.8 2.75 443 343 A 24 GLY H A 23 ARG HBx 1.0 1.8 2.75 444 344 A 25 ASN H A 23 ARG HBy 1.0 1.8 3.09 445 344 A 25 ASN H A 23 ARG HBx 1.0 1.8 3.09 446 345 A 27 TYR H A 23 ARG HBy 1.0 1.8 3.55 447 345 A 27 TYR H A 23 ARG HBx 1.0 1.8 3.55 448 346 A 29 GLY H A 23 ARG HGx 1.0 1.8 4.69 449 346 A 29 GLY H A 23 ARG HGy 1.0 1.8 4.69 450 347 A 25 ASN H A 25 ASN HBy 1.0 1.8 3.07 451 347 A 25 ASN H A 25 ASN HBx 1.0 1.8 3.07 452 348 A 25 ASN H A 26 GLY HAy 1.0 1.8 4.47 453 348 A 25 ASN H A 26 GLY HAx 1.0 1.8 4.47 454 349 A 25 ASN HBy A 25 ASN HD2x 1.0 1.8 3.02 455 349 A 25 ASN HBx A 25 ASN HD2x 1.0 1.8 3.02 456 349 A 25 ASN HD2y A 25 ASN HBy 1.0 1.8 3.02 457 349 A 25 ASN HBx A 25 ASN HD2y 1.0 1.8 3.02 458 350 A 27 TYR HD% A 25 ASN HBy 1.0 1.8 7.31 459 350 A 27 TYR HD% A 25 ASN HBx 1.0 1.8 7.31 460 351 A 27 TYR HE% A 25 ASN HBy 1.0 1.8 7.32 461 351 A 27 TYR HE% A 25 ASN HBx 1.0 1.8 7.32 462 352 A 25 ASN HD2x A 27 TYR HBy 1.0 1.8 4.63 463 352 A 25 ASN HD2y A 27 TYR HBy 1.0 1.8 4.63 464 352 A 27 TYR HBx A 25 ASN HD2x 1.0 1.8 4.63 465 352 A 25 ASN HD2y A 27 TYR HBx 1.0 1.8 4.63 466 353 A 27 TYR HD% A 25 ASN HD2x 1.0 1.8 7.31 467 353 A 27 TYR HD% A 25 ASN HD2y 1.0 1.8 7.31 468 354 A 26 GLY H A 26 GLY HAy 1.0 1.8 2.56 469 354 A 26 GLY H A 26 GLY HAx 1.0 1.8 2.56 470 355 A 26 GLY H A 27 TYR HBy 1.0 1.8 3.91 471 355 A 26 GLY H A 27 TYR HBx 1.0 1.8 3.91 472 356 A 27 TYR HD% A 26 GLY HAy 1.0 1.8 7.31 473 356 A 27 TYR HD% A 26 GLY HAx 1.0 1.8 7.31 474 357 A 27 TYR H A 27 TYR HBy 1.0 1.8 2.93 475 357 A 27 TYR H A 27 TYR HBx 1.0 1.8 2.93 476 358 A 28 CYS H A 27 TYR HBy 1.0 1.8 2.93 477 358 A 28 CYS H A 27 TYR HBx 1.0 1.8 2.93 478 359 A 7 ALA HB% A 27 TYR HBy 1.0 1.8 4.61 479 359 A 7 ALA HB% A 27 TYR HBx 1.0 1.8 4.61 480 360 A 27 TYR HD% A 9 LYS HGx 1.0 1.8 6.23 481 360 A 27 TYR HD% A 9 LYS HGy 1.0 1.8 6.23 482 361 A 27 TYR HE% A 9 LYS HGx 1.0 1.8 6.35 483 361 A 27 TYR HE% A 9 LYS HGy 1.0 1.8 6.35 484 362 A 28 CYS H A 8 PRO HDy 1.0 1.8 5.35 485 362 A 28 CYS H A 8 PRO HDx 1.0 1.8 5.35 486 363 A 28 CYS HA A 29 GLY HAy 1.0 1.8 4.29 487 363 A 28 CYS HA A 29 GLY HAx 1.0 1.8 4.29 488 364 A 30 GLU H A 29 GLY HAy 1.0 1.8 2.30 489 364 A 30 GLU H A 29 GLY HAx 1.0 1.8 2.30 490 365 A 30 GLU H A 30 GLU HBy 1.0 1.8 2.63 491 365 A 30 GLU H A 30 GLU HBx 1.0 1.8 2.63 492 366 A 32 ILE H A 32 ILE HG1y 1.0 1.8 3.38 493 366 A 32 ILE H A 32 ILE HG1x 1.0 1.8 3.38 494 367 A 35 ALA HA A 36 PRO HDy 1.0 1.8 3.17 495 367 A 35 ALA HA A 36 PRO HDx 1.0 1.8 3.17 496 368 A 35 ALA HB% A 36 PRO HDy 1.0 1.8 4.35 497 368 A 35 ALA HB% A 36 PRO HDx 1.0 1.8 4.35 498 369 A 37 PHE H A 36 PRO HBy 1.0 1.8 3.52 499 369 A 37 PHE H A 36 PRO HBx 1.0 1.8 3.52 500 370 A 37 PHE HD% A 36 PRO HBy 1.0 1.8 7.31 501 370 A 37 PHE HD% A 36 PRO HBx 1.0 1.8 7.31 502 371 A 37 PHE H A 36 PRO HDy 1.0 1.8 4.93 503 371 A 37 PHE H A 36 PRO HDx 1.0 1.8 4.93 504 372 A 39 ARG H A 39 ARG HBy 1.0 1.8 2.99 505 372 A 39 ARG H A 39 ARG HBx 1.0 1.8 2.99 506 373 A 39 ARG HA A 39 ARG HGx 1.0 1.8 3.29 507 373 A 39 ARG HA A 39 ARG HGy 1.0 1.8 3.29 508 374 A 39 ARG HE A 39 ARG HBy 1.0 1.8 4.84 509 374 A 39 ARG HE A 39 ARG HBx 1.0 1.8 4.84 510 375 A 2 GLU H A 39 ARG HBy 1.0 1.8 4.21 511 375 A 2 GLU H A 39 ARG HBx 1.0 1.8 4.21 512 376 A 2 GLU H A 2 GLU HBx 1.0 1.8 3.17 513 376 A 2 GLU H A 2 GLU HBy 1.0 1.8 3.17 514 377 A 4 ILE H A 4 ILE HG1x 1.0 1.8 3.65 515 377 A 4 ILE H A 4 ILE HG1y 1.0 1.8 3.65 516 378 A 5 TYR H A 4 ILE HG1x 1.0 1.8 4.74 517 378 A 5 TYR H A 4 ILE HG1y 1.0 1.8 4.74 518 379 A 5 TYR H A 5 TYR HBx 1.0 1.8 2.80 519 379 A 5 TYR H A 5 TYR HBy 1.0 1.8 2.80 520 380 A 6 ALA H A 5 TYR HBx 1.0 1.8 3.14 521 380 A 6 ALA H A 5 TYR HBy 1.0 1.8 3.14 522 381 A 7 ALA H A 8 PRO HDy 1.0 1.8 4.66 523 381 A 7 ALA H A 8 PRO HDx 1.0 1.8 4.66 524 382 A 7 ALA HA A 8 PRO HDy 1.0 1.8 2.92 525 382 A 7 ALA HA A 8 PRO HDx 1.0 1.8 2.92 526 383 A 7 ALA HB% A 8 PRO HDy 1.0 1.8 4.51 527 383 A 7 ALA HB% A 8 PRO HDx 1.0 1.8 4.51 528 384 A 9 LYS H A 9 LYS HGx 1.0 1.8 3.72 529 384 A 9 LYS H A 9 LYS HGy 1.0 1.8 3.72 530 385 A 10 CYS H A 26 GLY O 1.0 1.8 2.00 531 386 A 26 GLY O A 10 CYS N 1.0 1.8 3.00 532 387 A 11 ARG H A 15 ASP OD1 1.0 1.8 2.00 533 388 A 15 ASP OD1 A 11 ARG N 1.0 1.8 3.00 534 389 A 12 ARG H A 15 ASP OD1 1.0 1.8 2.00 535 390 A 15 ASP OD1 A 12 ARG N 1.0 1.8 3.00 536 391 A 15 ASP H A 12 ARG O 1.0 1.8 2.00 537 392 A 12 ARG O A 15 ASP N 1.0 1.8 3.00 538 393 A 16 CYS H A 13 ASP O 1.0 1.8 2.00 539 394 A 13 ASP O A 16 CYS N 1.0 1.8 3.00 540 395 A 20 CYS H A 17 PRO O 1.0 1.8 2.00 541 396 A 17 PRO O A 20 CYS N 1.0 1.8 3.00 542 397 A 21 ILE H A 29 GLY O 1.0 1.8 2.00 543 398 A 29 GLY O A 21 ILE N 1.0 1.8 3.00 544 399 A 22 CYS H A 13 ASP OD1 1.0 1.8 2.00 545 400 A 13 ASP OD1 A 22 CYS N 1.0 1.8 3.00 546 401 A 23 ARG H A 27 TYR O 1.0 1.8 2.00 547 402 A 27 TYR O A 23 ARG N 1.0 1.8 3.00 548 403 A 26 GLY H A 23 ARG O 1.0 1.8 2.00 549 404 A 23 ARG O A 26 GLY N 1.0 1.8 3.00 550 405 A 27 TYR H A 25 ASN OD1 1.0 1.8 2.00 551 406 A 25 ASN OD1 A 27 TYR N 1.0 1.8 3.00 552 407 A 28 CYS H A 8 PRO O 1.0 1.8 2.00 553 408 A 8 PRO O A 28 CYS N 1.0 1.8 3.00 554 409 A 29 GLY H A 21 ILE O 1.0 1.8 2.00 555 410 A 21 ILE O A 29 GLY N 1.0 1.8 3.00 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 10 CYS C A 11 ARG N A 11 ARG CA A 11 ARG C 1.0 -150.0 -90.0 PHI 2 2 A 11 ARG C A 12 ARG N A 12 ARG CA A 12 ARG C 1.0 -150.0 -90.0 PHI 3 3 A 12 ARG C A 13 ASP N A 13 ASP CA A 13 ASP C 1.0 -80.0 -50.0 PHI 4 4 A 15 ASP C A 16 CYS N A 16 CYS CA A 16 CYS C 1.0 -150.0 -90.0 PHI 5 5 A 20 CYS C A 21 ILE N A 21 ILE CA A 21 ILE C 1.0 -150.0 -90.0 PHI 6 6 A 21 ILE C A 22 CYS N A 22 CYS CA A 22 CYS C 1.0 -150.0 -90.0 PHI 7 7 A 24 GLY C A 25 ASN N A 25 ASN CA A 25 ASN C 1.0 -150.0 -90.0 PHI 8 8 A 26 GLY C A 27 TYR N A 27 TYR CA A 27 TYR C 1.0 -150.0 -90.0 PHI 9 9 A 27 TYR C A 28 CYS N A 28 CYS CA A 28 CYS C 1.0 -80.0 -50.0 PHI 10 10 A 17 PRO C A 18 GLY N A 18 GLY CA A 18 GLY C 1.0 10.0 90.0 PHI 11 11 A 29 GLY C A 30 GLU N A 30 GLU CA A 30 GLU C 1.0 -80.0 -50.0 PHI 12 12 A 3 ALA C A 4 ILE N A 4 ILE CA A 4 ILE C 1.0 -150.0 -90.0 PHI 13 13 A 39 ARG C A 1 CYS N A 1 CYS CA A 1 CYS C 1.0 -180.0 -20.0 . 14 14 A 38 ALA C A 39 ARG N A 39 ARG CA A 39 ARG C 1.0 -180.0 -20.0 PHI 15 15 A 2 GLU C A 3 ALA N A 3 ALA CA A 3 ALA C 1.0 -180.0 -20.0 PHI 16 16 A 32 ILE C A 33 TYR N A 33 TYR CA A 33 TYR C 1.0 -180.0 -20.0 PHI 17 17 A 4 ILE C A 5 TYR N A 5 TYR CA A 5 TYR C 1.0 -150.0 -90.0 PHI 18 18 A 6 ALA C A 7 ALA N A 7 ALA CA A 7 ALA C 1.0 -80.0 -50.0 PHI 19 19 A 36 PRO C A 37 PHE N A 37 PHE CA A 37 PHE C 1.0 -150.0 -90.0 PHI 20 20 A 1 CYS C A 2 GLU N A 2 GLU CA A 2 GLU C 1.0 -150.0 -90.0 PHI 21 21 A 34 ALA C A 35 ALA N A 35 ALA CA A 35 ALA C 1.0 -80.0 -50.0 PHI 22 22 A 30 GLU C A 31 ALA N A 31 ALA CA A 31 ALA C 1.0 -80.0 -50.0 PHI 23 23 A 5 TYR C A 6 ALA N A 6 ALA CA A 6 ALA C 1.0 -180.0 -20.0 PHI 24 24 A 31 ALA C A 32 ILE N A 32 ILE CA A 32 ILE C 1.0 -180.0 -20.0 PHI 25 25 A 11 ARG N A 11 ARG CA A 11 ARG CB A 11 ARG CG 1.0 -90.0 -30.0 CHI1 26 26 A 13 ASP N A 13 ASP CA A 13 ASP CB A 13 ASP CG 1.0 -90.0 -30.0 CHI1 27 27 A 14 SER N A 14 SER CA A 14 SER CB A 14 SER OG 1.0 45.0 75.0 CHI1 28 28 A 23 ARG N A 23 ARG CA A 23 ARG CB A 23 ARG CG 1.0 -90.0 -30.0 CHI1 29 29 A 25 ASN N A 25 ASN CA A 25 ASN CB A 25 ASN CG 1.0 45.0 75.0 CHI1 30 30 A 27 TYR N A 27 TYR CA A 27 TYR CB A 27 TYR CG 1.0 -90.0 -30.0 CHI1 31 31 A 10 CYS N A 10 CYS CA A 10 CYS CB A 10 CYS SG 1.0 45.0 75.0 CHI1 32 32 A 16 CYS N A 16 CYS CA A 16 CYS CB A 16 CYS SG 1.0 -90.0 -30.0 CHI1 33 33 A 20 CYS N A 20 CYS CA A 20 CYS CB A 20 CYS SG 1.0 -90.0 -30.0 CHI1 34 34 A 22 CYS N A 22 CYS CA A 22 CYS CB A 22 CYS SG 1.0 -195.0 -165.0 CHI1 35 35 A 28 CYS N A 28 CYS CA A 28 CYS CB A 28 CYS SG 1.0 -90.0 -30.0 CHI1 36 36 A 39 ARG N A 39 ARG CA A 39 ARG CB A 39 ARG CG 1.0 -90.0 -30.0 CHI1 37 37 A 30 GLU N A 30 GLU CA A 30 GLU CB A 30 GLU CG 1.0 -195.0 -165.0 CHI1 stop_ save_