data_nef_c25917_2n9t 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 2N9T 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 2 CYS SG 1 16 CYS SG 1 9 CYS SG 1 21 CYS SG 1 15 CYS SG 1 25 CYS SG 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 TYR start . . 2 A 2 CYS middle -HG . 3 A 3 GLN middle . . 4 A 4 LYS middle . . 5 A 5 TRP middle . . 6 A 6 MET middle . . 7 A 7 TRP middle . . 8 A 8 THR middle . . 9 A 9 CYS middle -HG . 10 A 10 ASP middle . . 11 A 11 SER middle . . 12 A 12 GLU middle . . 13 A 13 ARG middle . . 14 A 14 LYS middle . . 15 A 15 CYS middle -HG . 16 A 16 CYS middle -HG . 17 A 17 GLU middle . . 18 A 18 GLY middle . false 19 A 19 MET middle . . 20 A 20 VAL middle . . 21 A 21 CYS middle -HG . 22 A 22 ARG middle . . 23 A 23 LEU middle . . 24 A 24 TRP middle . . 25 A 25 CYS middle -HG . 26 A 26 LYS middle . . 27 A 27 LYS middle . . 28 A 28 LYS middle . . 29 A 29 LEU middle . . 30 A 30 TRP 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 A 1 TYR HA H 1 4.389 0.000 A 1 TYR HBx H 1 3.240 0.000 A 1 TYR HBy H 1 3.293 0.002 A 1 TYR CA C 13 54.341 0.000 A 1 TYR CB C 13 35.812 0.000 A 2 CYS H H 1 8.171 0.000 A 2 CYS HA H 1 5.094 0.001 A 2 CYS HBx H 1 2.952 0.000 A 2 CYS HBy H 1 3.195 0.000 A 2 CYS CA C 13 51.805 0.000 A 2 CYS CB C 13 40.451 0.019 A 2 CYS N N 15 117.668 0.000 A 3 GLN H H 1 9.221 0.000 A 3 GLN HA H 1 4.517 0.000 A 3 GLN HBx H 1 2.195 0.000 A 3 GLN HBy H 1 2.365 0.000 A 3 GLN HE2x H 1 7.251 0.000 A 3 GLN HE2y H 1 8.788 0.000 A 3 GLN HGx H 1 2.120 0.095 A 3 GLN HGy H 1 2.773 0.000 A 3 GLN CA C 13 52.011 0.000 A 3 GLN CB C 13 28.970 0.000 A 3 GLN CG C 13 30.694 1.201 A 3 GLN N N 15 117.434 0.000 A 3 GLN NE2 N 15 112.742 0.023 A 4 LYS H H 1 5.270 0.000 A 4 LYS HA H 1 3.708 0.000 A 4 LYS HBx H 1 -0.434 0.000 A 4 LYS HBy H 1 1.440 0.000 A 4 LYS HDx H 1 1.335 0.009 A 4 LYS HDy H 1 1.335 0.009 A 4 LYS HEx H 1 2.833 0.005 A 4 LYS HEy H 1 2.833 0.005 A 4 LYS HGx H 1 0.432 0.000 A 4 LYS HGy H 1 0.685 0.000 A 4 LYS CA C 13 52.506 0.000 A 4 LYS CB C 13 29.985 0.033 A 4 LYS CD C 13 26.263 0.000 A 4 LYS CE C 13 39.250 0.000 A 4 LYS CG C 13 22.747 0.021 A 5 TRP H H 1 7.941 0.000 A 5 TRP HA H 1 4.317 0.000 A 5 TRP HBx H 1 3.120 0.000 A 5 TRP HBy H 1 3.120 0.000 A 5 TRP HD1 H 1 7.476 0.000 A 5 TRP HE1 H 1 10.741 0.000 A 5 TRP HE3 H 1 7.582 0.000 A 5 TRP HH2 H 1 7.287 0.001 A 5 TRP HZ2 H 1 7.550 0.005 A 5 TRP HZ3 H 1 7.180 0.002 A 5 TRP CA C 13 56.591 0.000 A 5 TRP CB C 13 25.632 0.000 A 5 TRP N N 15 118.577 0.000 A 5 TRP NE1 N 15 129.900 0.000 A 6 MET H H 1 9.139 0.000 A 6 MET HA H 1 3.924 0.000 A 6 MET HBx H 1 0.624 0.005 A 6 MET HBy H 1 1.379 0.004 A 6 MET HGx H 1 1.775 0.014 A 6 MET HGy H 1 1.951 0.000 A 6 MET CA C 13 53.883 0.000 A 6 MET CB C 13 27.846 0.000 A 6 MET CG C 13 24.596 0.019 A 6 MET N N 15 118.041 0.000 A 7 TRP H H 1 8.676 0.000 A 7 TRP HA H 1 5.075 0.000 A 7 TRP HBx H 1 3.468 0.000 A 7 TRP HBy H 1 3.619 0.000 A 7 TRP HD1 H 1 7.123 0.000 A 7 TRP HE1 H 1 10.239 0.000 A 7 TRP HE3 H 1 7.768 0.000 A 7 TRP HH2 H 1 7.370 0.000 A 7 TRP HZ2 H 1 7.633 0.000 A 7 TRP HZ3 H 1 7.253 0.005 A 7 TRP CA C 13 53.113 0.000 A 7 TRP CB C 13 26.919 0.000 A 7 TRP N N 15 121.757 0.000 A 7 TRP NE1 N 15 128.978 0.000 A 8 THR H H 1 8.533 0.000 A 8 THR HA H 1 4.576 0.000 A 8 THR HB H 1 4.317 0.000 A 8 THR HG2% H 1 1.313 0.000 A 8 THR CA C 13 60.134 0.000 A 8 THR CB C 13 67.139 0.000 A 8 THR CG2 C 13 19.267 0.000 A 8 THR N N 15 112.611 0.000 A 9 CYS H H 1 7.841 0.000 A 9 CYS HA H 1 5.198 0.000 A 9 CYS HBx H 1 3.340 0.000 A 9 CYS HBy H 1 3.440 0.000 A 9 CYS CA C 13 50.915 0.000 A 9 CYS CB C 13 45.428 0.000 A 9 CYS N N 15 116.041 0.000 A 10 ASP H H 1 8.744 0.000 A 10 ASP HA H 1 4.433 0.000 A 10 ASP HBx H 1 3.218 0.000 A 10 ASP HBy H 1 3.218 0.000 A 10 ASP CA C 13 51.222 0.000 A 10 ASP CB C 13 37.016 0.000 A 10 ASP N N 15 118.399 0.000 A 11 SER H H 1 8.424 0.000 A 11 SER HA H 1 4.124 0.003 A 11 SER HBx H 1 3.944 0.000 A 11 SER HBy H 1 3.944 0.000 A 11 SER CA C 13 59.020 0.000 A 11 SER CB C 13 60.066 0.000 A 11 SER N N 15 112.253 0.000 A 12 GLU H H 1 8.239 0.000 A 12 GLU HA H 1 4.481 0.000 A 12 GLU HBx H 1 2.051 0.000 A 12 GLU HBy H 1 2.172 0.000 A 12 GLU HGx H 1 2.427 0.000 A 12 GLU HGy H 1 2.427 0.000 A 12 GLU CA C 13 53.836 0.000 A 12 GLU CB C 13 26.863 0.002 A 12 GLU CG C 13 30.915 0.000 A 12 GLU N N 15 124.186 0.000 A 13 ARG H H 1 8.194 0.000 A 13 ARG HA H 1 4.557 0.000 A 13 ARG HBx H 1 1.820 0.000 A 13 ARG HBy H 1 1.820 0.000 A 13 ARG HDx H 1 3.071 0.000 A 13 ARG HDy H 1 3.221 0.000 A 13 ARG HE H 1 7.056 0.000 A 13 ARG HGx H 1 1.440 0.000 A 13 ARG HGy H 1 1.636 0.000 A 13 ARG CA C 13 51.992 0.000 A 13 ARG CB C 13 26.776 0.000 A 13 ARG CD C 13 41.008 0.026 A 13 ARG CG C 13 24.115 0.024 A 13 ARG N N 15 116.195 0.000 A 14 LYS H H 1 7.969 0.000 A 14 LYS HA H 1 4.405 0.000 A 14 LYS HBx H 1 1.773 0.000 A 14 LYS HBy H 1 1.923 0.000 A 14 LYS HDx H 1 3.087 0.004 A 14 LYS HDy H 1 3.087 0.004 A 14 LYS HEx H 1 3.082 0.000 A 14 LYS HEy H 1 3.082 0.000 A 14 LYS HGx H 1 1.475 0.008 A 14 LYS HGy H 1 1.706 0.005 A 14 LYS HZ1 H 1 7.549 0.000 A 14 LYS HZ2 H 1 7.549 0.000 A 14 LYS HZ3 H 1 7.549 0.000 A 14 LYS CA C 13 53.159 0.000 A 14 LYS CB C 13 31.014 0.020 A 14 LYS CE C 13 39.385 0.000 A 14 LYS CG C 13 26.469 0.001 A 14 LYS N N 15 121.150 0.000 A 15 CYS H H 1 9.162 0.000 A 15 CYS HA H 1 4.937 0.001 A 15 CYS HBx H 1 2.534 0.000 A 15 CYS HBy H 1 3.013 0.007 A 15 CYS CA C 13 53.093 0.000 A 15 CYS CB C 13 38.004 0.000 A 15 CYS N N 15 119.435 0.000 A 16 CYS H H 1 9.123 0.000 A 16 CYS HA H 1 4.555 0.000 A 16 CYS HBx H 1 2.393 0.000 A 16 CYS HBy H 1 3.376 0.002 A 16 CYS CA C 13 51.362 0.000 A 16 CYS CB C 13 37.233 0.070 A 16 CYS N N 15 120.864 0.000 A 17 GLU H H 1 8.305 0.000 A 17 GLU HA H 1 4.083 0.000 A 17 GLU HBx H 1 2.025 0.000 A 17 GLU HBy H 1 2.082 0.000 A 17 GLU HGx H 1 2.432 0.000 A 17 GLU HGy H 1 2.432 0.000 A 17 GLU CA C 13 54.840 0.000 A 17 GLU CB C 13 25.898 0.042 A 17 GLU CG C 13 31.093 0.000 A 17 GLU N N 15 118.077 0.000 A 18 GLY H H 1 8.861 0.000 A 18 GLY HAy H 1 4.298 0.000 A 18 GLY HAx H 1 3.706 0.000 A 18 GLY CA C 13 42.012 0.000 A 18 GLY N N 15 111.182 0.000 A 19 MET H H 1 7.528 0.000 A 19 MET HA H 1 5.097 0.000 A 19 MET HBx H 1 1.925 0.000 A 19 MET HBy H 1 2.174 0.007 A 19 MET HGx H 1 2.368 0.006 A 19 MET HGy H 1 2.368 0.006 A 19 MET CA C 13 51.128 0.000 A 19 MET CB C 13 34.904 0.014 A 19 MET CG C 13 30.485 0.000 A 19 MET N N 15 117.827 0.000 A 20 VAL H H 1 9.110 0.000 A 20 VAL HA H 1 4.473 0.000 A 20 VAL HB H 1 1.939 0.000 A 20 VAL HGx% H 1 0.856 0.000 A 20 VAL HGy% H 1 0.856 0.000 A 20 VAL CA C 13 56.451 0.000 A 20 VAL CB C 13 32.117 0.000 A 20 VAL CGx C 13 18.088 0.000 A 20 VAL N N 15 116.719 0.000 A 21 CYS H H 1 8.943 0.000 A 21 CYS HA H 1 4.808 0.000 A 21 CYS HBx H 1 2.854 0.000 A 21 CYS HBy H 1 3.337 0.000 A 21 CYS CA C 13 52.509 0.000 A 21 CYS CB C 13 37.078 0.028 A 21 CYS N N 15 122.699 0.000 A 22 ARG H H 1 8.248 0.000 A 22 ARG HA H 1 4.522 0.000 A 22 ARG HBx H 1 1.591 0.000 A 22 ARG HBy H 1 1.736 0.000 A 22 ARG HDx H 1 3.129 0.000 A 22 ARG HDy H 1 3.256 0.000 A 22 ARG HE H 1 7.243 0.001 A 22 ARG HGx H 1 1.479 0.000 A 22 ARG HGy H 1 1.559 0.002 A 22 ARG CA C 13 52.576 0.000 A 22 ARG CB C 13 33.792 6.612 A 22 ARG CG C 13 26.398 0.000 A 22 ARG N N 15 134.904 0.000 A 23 LEU H H 1 8.108 0.000 A 23 LEU HA H 1 3.723 0.005 A 23 LEU HBx H 1 1.027 0.005 A 23 LEU HBy H 1 2.153 0.000 A 23 LEU HDx% H 1 0.808 0.000 A 23 LEU HDy% H 1 0.808 0.000 A 23 LEU HG H 1 1.384 0.008 A 23 LEU CA C 13 58.762 0.000 A 23 LEU CB C 13 37.343 0.019 A 23 LEU CDx C 13 20.593 0.000 A 23 LEU CG C 13 24.734 0.000 A 23 LEU N N 15 123.936 0.000 A 24 TRP H H 1 8.115 0.000 A 24 TRP HA H 1 5.319 0.000 A 24 TRP HBx H 1 2.698 0.000 A 24 TRP HBy H 1 3.002 0.004 A 24 TRP HD1 H 1 7.063 0.000 A 24 TRP HE1 H 1 10.235 0.000 A 24 TRP HE3 H 1 7.793 0.816 A 24 TRP HH2 H 1 7.641 0.010 A 24 TRP HZ2 H 1 7.465 0.000 A 24 TRP HZ3 H 1 6.924 0.002 A 24 TRP CA C 13 53.633 0.000 A 24 TRP CB C 13 29.503 0.028 A 24 TRP N N 15 123.699 0.000 A 24 TRP NE1 N 15 129.418 0.000 A 25 CYS H H 1 8.671 0.000 A 25 CYS HA H 1 4.915 0.000 A 25 CYS HBx H 1 3.174 0.006 A 25 CYS HBy H 1 3.388 0.004 A 25 CYS CA C 13 53.656 0.000 A 25 CYS CB C 13 37.264 0.030 A 25 CYS N N 15 118.684 0.000 A 26 LYS H H 1 9.316 0.000 A 26 LYS HA H 1 4.973 0.000 A 26 LYS HBx H 1 1.731 0.000 A 26 LYS HBy H 1 2.035 0.000 A 26 LYS HEx H 1 2.830 0.001 A 26 LYS HEy H 1 2.830 0.001 A 26 LYS HGx H 1 1.479 0.000 A 26 LYS HGy H 1 1.615 0.000 A 26 LYS HZ1 H 1 7.610 0.002 A 26 LYS HZ2 H 1 7.610 0.002 A 26 LYS HZ3 H 1 7.610 0.002 A 26 LYS CA C 13 52.104 0.000 A 26 LYS CB C 13 32.887 0.014 A 26 LYS CE C 13 39.115 0.000 A 26 LYS CG C 13 24.038 0.027 A 26 LYS N N 15 124.865 0.000 A 27 LYS H H 1 8.461 0.000 A 27 LYS HA H 1 4.303 0.000 A 27 LYS HBx H 1 1.629 0.012 A 27 LYS HBy H 1 1.768 0.000 A 27 LYS HEx H 1 2.825 0.000 A 27 LYS HEy H 1 2.825 0.000 A 27 LYS HGx H 1 1.161 0.000 A 27 LYS HGy H 1 1.161 0.000 A 27 LYS HZ1 H 1 7.448 0.000 A 27 LYS HZ2 H 1 7.448 0.000 A 27 LYS HZ3 H 1 7.448 0.000 A 27 LYS C C 13 54.469 0.000 A 27 LYS CB C 13 30.360 0.000 A 27 LYS CE C 13 39.234 0.000 A 27 LYS CG C 13 22.775 0.000 A 27 LYS N N 15 119.792 0.000 A 28 LYS H H 1 8.157 0.000 A 28 LYS HA H 1 4.106 0.000 A 28 LYS HBx H 1 1.510 0.000 A 28 LYS HBy H 1 1.629 0.000 A 28 LYS HEx H 1 2.735 0.001 A 28 LYS HEy H 1 2.735 0.001 A 28 LYS HGx H 1 1.146 0.000 A 28 LYS HGy H 1 1.146 0.000 A 28 LYS HZ1 H 1 7.443 0.006 A 28 LYS HZ2 H 1 7.443 0.006 A 28 LYS HZ3 H 1 7.443 0.006 A 28 LYS CA C 13 53.883 0.000 A 28 LYS CB C 13 30.390 0.013 A 28 LYS CE C 13 39.088 0.000 A 28 LYS CG C 13 22.126 0.000 A 28 LYS N N 15 122.343 0.000 A 29 LEU H H 1 8.290 0.300 A 29 LEU HA H 1 4.320 0.000 A 29 LEU HBy H 1 1.721 0.123 A 29 LEU HBx H 1 1.650 0.196 A 29 LEU HDx% H 1 0.886 0.005 A 29 LEU HDy% H 1 0.812 0.007 A 29 LEU HG H 1 1.365 0.000 A 29 LEU CA C 13 52.134 0.000 A 29 LEU CB C 13 26.262 0.080 A 29 LEU CDx C 13 22.047 0.000 A 29 LEU CDy C 13 22.047 0.000 A 29 LEU N N 15 118.006 0.000 A 30 TRP H H 1 8.009 0.000 A 30 TRP HA H 1 4.643 0.000 A 30 TRP HBx H 1 3.228 0.000 A 30 TRP HBy H 1 3.321 0.002 A 30 TRP HD1 H 1 7.252 0.000 A 30 TRP HE1 H 1 10.163 0.000 A 30 TRP HZ2 H 1 7.494 0.004 A 30 TRP CA C 13 53.813 0.000 A 30 TRP CB C 13 27.048 0.014 A 30 TRP N N 15 121.543 0.000 A 30 TRP NE1 N 15 129.172 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 A 26 LYS H A 26 LYS HBx 1.0 0.0 4.13 2 2 A 26 LYS H A 26 LYS HBy 1.0 0.0 4.13 3 3 A 26 LYS H A 26 LYS HGx 1.0 0.0 4.29 4 4 A 26 LYS H A 26 LYS HGy 1.0 0.0 4.29 5 5 A 3 GLN H A 3 GLN HBx 1.0 0.0 3.50 6 6 A 3 GLN H A 3 GLN HBy 1.0 0.0 4.06 7 7 A 3 GLN H A 3 GLN HGy 1.0 0.0 4.27 8 8 A 15 CYS H A 15 CYS HBy 1.0 0.0 4.08 9 9 A 15 CYS H A 15 CYS HBx 1.0 0.0 3.37 10 10 A 5 TRP HA A 6 MET H 1.0 0.0 3.05 11 11 A 6 MET H A 6 MET HGy 1.0 0.0 4.59 12 12 A 6 MET H A 6 MET HGx 1.0 0.0 4.47 13 13 A 20 VAL H A 20 VAL HGx% 1.0 0.0 3.29 14 13 A 20 VAL H A 20 VAL HGy% 1.0 0.0 3.29 15 14 A 16 CYS H A 16 CYS HBy 1.0 0.0 3.75 16 15 A 21 CYS H A 21 CYS HBx 1.0 0.0 3.31 17 16 A 21 CYS H A 21 CYS HBy 1.0 0.0 3.45 18 17 A 10 ASP H A 10 ASP HBx 1.0 0.0 4.10 19 17 A 10 ASP H A 10 ASP HBy 1.0 0.0 4.10 20 18 A 7 TRP H A 7 TRP HBy 1.0 0.0 3.87 21 19 A 7 TRP H A 7 TRP HBx 1.0 0.0 3.26 22 20 A 25 CYS H A 25 CYS HBx 1.0 0.0 3.25 23 21 A 25 CYS H A 25 CYS HBy 1.0 0.0 3.67 24 22 A 8 THR H A 8 THR HG2% 1.0 0.0 3.52 25 23 A 27 LYS H A 27 LYS HGx 1.0 0.0 3.62 26 23 A 27 LYS H A 27 LYS HGy 1.0 0.0 3.62 27 24 A 27 LYS H A 27 LYS HBy 1.0 0.0 3.79 28 25 A 27 LYS H A 27 LYS HBx 1.0 0.0 3.79 29 26 A 11 SER H A 11 SER HBx 1.0 0.0 3.30 30 26 A 11 SER H A 11 SER HBy 1.0 0.0 3.30 31 27 A 22 ARG H A 22 ARG HBx 1.0 0.0 3.88 32 28 A 22 ARG H A 22 ARG HBy 1.0 0.0 3.55 33 29 A 22 ARG H A 22 ARG HGy 1.0 0.0 5.19 34 30 A 29 LEU H A 28 LYS HBy 1.0 0.0 4.36 35 31 A 12 GLU H A 12 GLU HBy 1.0 0.0 3.81 36 32 A 12 GLU H A 12 GLU HBx 1.0 0.0 3.81 37 33 A 13 ARG H A 13 ARG HBx 1.0 0.0 3.36 38 33 A 13 ARG H A 13 ARG HBy 1.0 0.0 3.36 39 34 A 13 ARG H A 13 ARG HGy 1.0 0.0 4.74 40 35 A 5 TRP H A 5 TRP HBx 1.0 0.0 2.91 41 35 A 5 TRP H A 5 TRP HBy 1.0 0.0 2.91 42 36 A 24 TRP H A 24 TRP HBy 1.0 0.0 4.09 43 37 A 14 LYS H A 14 LYS HBy 1.0 0.0 3.85 44 38 A 14 LYS H A 14 LYS HBx 1.0 0.0 3.85 45 39 A 19 MET H A 19 MET HGx 1.0 0.0 3.88 46 39 A 19 MET H A 19 MET HGy 1.0 0.0 3.88 47 40 A 19 MET H A 19 MET HBx 1.0 0.0 3.51 48 41 A 20 VAL H A 19 MET HBy 1.0 0.0 3.90 49 42 A 21 CYS H A 20 VAL HA 1.0 0.0 3.01 50 43 A 21 CYS H A 20 VAL HB 1.0 0.0 4.21 51 44 A 21 CYS H A 20 VAL HGx% 1.0 0.0 3.67 52 44 A 20 VAL HGy% A 21 CYS H 1.0 0.0 3.67 53 45 A 20 VAL HA A 20 VAL HGx% 1.0 0.0 3.32 54 45 A 20 VAL HGy% A 20 VAL HA 1.0 0.0 3.32 55 46 A 21 CYS H A 22 ARG H 1.0 0.0 5.15 56 47 A 21 CYS HBy A 22 ARG H 1.0 0.0 4.66 57 48 A 21 CYS HBx A 22 ARG H 1.0 0.0 4.74 58 49 A 22 ARG H A 21 CYS HA 1.0 0.0 3.00 59 50 A 22 ARG HA A 22 ARG HDy 1.0 0.0 4.30 60 51 A 22 ARG HA A 22 ARG HDx 1.0 0.0 4.30 61 52 A 23 LEU H A 23 LEU HDx% 1.0 0.0 3.81 62 52 A 23 LEU H A 23 LEU HDy% 1.0 0.0 3.81 63 53 A 23 LEU H A 23 LEU HBy 1.0 0.0 4.15 64 54 A 23 LEU H A 23 LEU HBx 1.0 0.0 4.15 65 55 A 8 THR HB A 9 CYS H 1.0 0.0 3.56 66 56 A 8 THR HG2% A 9 CYS H 1.0 0.0 4.05 67 57 A 10 ASP H A 9 CYS HA 1.0 0.0 3.20 68 58 A 10 ASP H A 9 CYS HBy 1.0 0.0 3.91 69 59 A 10 ASP H A 9 CYS HBx 1.0 0.0 3.94 70 60 A 11 SER H A 10 ASP HBx 1.0 0.0 2.83 71 60 A 10 ASP HBy A 11 SER H 1.0 0.0 2.83 72 61 A 11 SER H A 10 ASP HA 1.0 0.0 3.37 73 62 A 17 GLU H A 17 GLU HGx 1.0 0.0 4.42 74 62 A 17 GLU H A 17 GLU HGy 1.0 0.0 4.42 75 63 A 17 GLU H A 17 GLU HBx 1.0 0.0 3.22 76 64 A 17 GLU HA A 18 GLY H 1.0 0.0 3.09 77 65 A 18 GLY H A 17 GLU HGx 1.0 0.0 4.89 78 65 A 17 GLU HGy A 18 GLY H 1.0 0.0 4.89 79 66 A 17 GLU HBx A 18 GLY H 1.0 0.0 4.73 80 67 A 18 GLY H A 17 GLU HBy 1.0 0.0 4.15 81 68 A 23 LEU H A 23 LEU HG 1.0 0.0 4.19 82 69 A 16 CYS H A 16 CYS HBx 1.0 0.0 3.75 83 70 A 17 GLU H A 16 CYS HA 1.0 0.0 3.02 84 71 A 22 ARG HA A 23 LEU H 1.0 0.0 2.93 85 72 A 22 ARG HBx A 23 LEU H 1.0 0.0 3.95 86 73 A 22 ARG HBx A 24 TRP H 1.0 0.0 4.35 87 74 A 22 ARG HBy A 23 LEU H 1.0 0.0 4.13 88 75 A 22 ARG HBy A 24 TRP H 1.0 0.0 4.67 89 76 A 23 LEU H A 22 ARG HGy 1.0 0.0 4.34 90 77 A 6 MET H A 5 TRP H 1.0 0.0 5.50 91 78 A 22 ARG H A 24 TRP H 1.0 0.0 4.01 92 79 A 10 ASP H A 11 SER H 1.0 0.0 5.28 93 80 A 16 CYS H A 17 GLU H 1.0 0.0 4.66 94 81 A 8 THR H A 9 CYS H 1.0 0.0 4.97 95 82 A 19 MET H A 18 GLY H 1.0 0.0 3.50 96 83 A 20 VAL H A 19 MET HA 1.0 0.0 3.09 97 84 A 3 GLN HBy A 16 CYS H 1.0 0.0 4.23 98 85 A 20 VAL H A 19 MET HGx 1.0 0.0 4.58 99 85 A 20 VAL H A 19 MET HGy 1.0 0.0 4.58 100 86 A 20 VAL H A 19 MET HBx 1.0 0.0 3.97 101 87 A 16 CYS H A 15 CYS HA 1.0 0.0 2.99 102 88 A 15 CYS HBx A 16 CYS H 1.0 0.0 4.69 103 89 A 15 CYS HBy A 16 CYS H 1.0 0.0 3.45 104 90 A 15 CYS H A 14 LYS HA 1.0 0.0 2.99 105 91 A 14 LYS H A 13 ARG HA 1.0 0.0 2.93 106 92 A 13 ARG H A 12 GLU HBy 1.0 0.0 4.30 107 93 A 13 ARG H A 12 GLU HBx 1.0 0.0 4.30 108 94 A 14 LYS H A 13 ARG HBx 1.0 0.0 4.04 109 94 A 13 ARG HBy A 14 LYS H 1.0 0.0 4.04 110 95 A 14 LYS H A 13 ARG HGx 1.0 0.0 4.79 111 96 A 13 ARG HGy A 14 LYS H 1.0 0.0 3.36 112 97 A 12 GLU H A 11 SER HBx 1.0 0.0 3.82 113 97 A 11 SER HBy A 12 GLU H 1.0 0.0 3.82 114 98 A 10 ASP HA A 10 ASP HBx 1.0 0.0 2.91 115 98 A 10 ASP HBy A 10 ASP HA 1.0 0.0 2.91 116 99 A 8 THR HG2% A 8 THR HA 1.0 0.0 3.61 117 100 A 19 MET HA A 19 MET HGx 1.0 0.0 3.90 118 100 A 19 MET HGy A 19 MET HA 1.0 0.0 3.90 119 101 A 28 LYS H A 27 LYS HBy 1.0 0.0 4.33 120 102 A 27 LYS H A 26 LYS HA 1.0 0.0 3.10 121 103 A 7 TRP HA A 7 TRP HD1 1.0 0.0 3.69 122 104 A 24 TRP H A 24 TRP HBx 1.0 0.0 3.99 123 105 A 23 LEU HA A 23 LEU HDx% 1.0 0.0 3.44 124 105 A 23 LEU HDy% A 23 LEU HA 1.0 0.0 3.44 125 106 A 23 LEU HDy% A 23 LEU HBx 1.0 0.0 3.95 126 106 A 23 LEU HBx A 23 LEU HDx% 1.0 0.0 3.95 127 107 A 23 LEU HDy% A 23 LEU HBy 1.0 0.0 3.95 128 107 A 23 LEU HBy A 23 LEU HDx% 1.0 0.0 3.95 129 108 A 3 GLN H A 2 CYS HA 1.0 0.0 3.21 130 109 A 3 GLN H A 2 CYS HBy 1.0 0.0 3.93 131 110 A 3 GLN H A 2 CYS HBx 1.0 0.0 3.93 132 111 A 15 CYS H A 14 LYS HBy 1.0 0.0 4.16 133 112 A 15 CYS H A 14 LYS HBx 1.0 0.0 4.16 134 113 A 25 CYS H A 24 TRP HA 1.0 0.0 3.23 135 114 A 26 LYS H A 25 CYS HA 1.0 0.0 2.93 136 115 A 28 LYS H A 27 LYS HA 1.0 0.0 3.14 137 116 A 29 LEU HA A 30 TRP H 1.0 0.0 3.57 138 117 A 5 TRP HD1 A 5 TRP HBx 1.0 0.0 3.52 139 117 A 5 TRP HBy A 5 TRP HD1 1.0 0.0 3.52 140 118 A 25 CYS H A 24 TRP HBy 1.0 0.0 3.80 141 119 A 8 THR H A 8 THR HB 1.0 0.0 3.49 142 120 A 9 CYS H A 8 THR HA 1.0 0.0 2.56 143 121 A 8 THR H A 7 TRP HA 1.0 0.0 3.08 144 122 A 7 TRP HBy A 8 THR H 1.0 0.0 4.34 145 123 A 7 TRP HBx A 8 THR H 1.0 0.0 3.79 146 124 A 7 TRP HBx A 7 TRP HE3 1.0 0.0 3.97 147 125 A 7 TRP HBy A 7 TRP HE3 1.0 0.0 3.72 148 126 A 7 TRP HBy A 3 GLN HE2y 1.0 0.0 4.73 149 127 A 7 TRP HBx A 3 GLN HE2y 1.0 0.0 5.50 150 128 A 5 TRP HE3 A 5 TRP HBx 1.0 0.0 2.76 151 128 A 5 TRP HBy A 5 TRP HE3 1.0 0.0 2.76 152 129 A 3 GLN HE2y A 3 GLN HGx 1.0 0.0 4.09 153 130 A 3 GLN HBy A 3 GLN HE2y 1.0 0.0 5.14 154 131 A 5 TRP H A 4 LYS HA 1.0 0.0 3.30 155 132 A 3 GLN HBy A 7 TRP HE3 1.0 0.0 4.76 156 133 A 7 TRP HZ2 A 4 LYS HEx 1.0 0.0 4.48 157 133 A 4 LYS HEy A 7 TRP HZ2 1.0 0.0 4.48 158 134 A 7 TRP HH2 A 4 LYS HEx 1.0 0.0 5.00 159 134 A 4 LYS HEy A 7 TRP HH2 1.0 0.0 5.00 160 135 A 5 TRP H A 4 LYS HBy 1.0 0.0 3.55 161 136 A 7 TRP H A 8 THR HA 1.0 0.0 4.96 162 137 A 3 GLN H A 15 CYS HA 1.0 0.0 3.87 163 138 A 26 LYS H A 25 CYS HBy 1.0 0.0 4.25 164 139 A 26 LYS H A 20 VAL HGx% 1.0 0.0 4.69 165 139 A 26 LYS H A 20 VAL HGy% 1.0 0.0 4.69 166 140 A 5 TRP HD1 A 6 MET HBy 1.0 0.0 5.36 167 141 A 13 ARG HE A 13 ARG HBx 1.0 0.0 3.69 168 141 A 13 ARG HBy A 13 ARG HE 1.0 0.0 3.69 169 142 A 13 ARG HGx A 13 ARG HE 1.0 0.0 3.76 170 143 A 13 ARG HGy A 13 ARG HE 1.0 0.0 3.93 171 144 A 28 LYS H A 27 LYS HGx 1.0 0.0 4.44 172 144 A 27 LYS HGy A 28 LYS H 1.0 0.0 4.44 173 145 A 28 LYS H A 28 LYS HGx 1.0 0.0 4.64 174 145 A 28 LYS H A 28 LYS HGy 1.0 0.0 4.64 175 146 A 10 ASP H A 13 ARG HBx 1.0 0.0 3.57 176 146 A 10 ASP H A 13 ARG HBy 1.0 0.0 3.57 177 147 A 10 ASP H A 13 ARG HGx 1.0 0.0 4.71 178 148 A 10 ASP H A 13 ARG HGy 1.0 0.0 5.10 179 149 A 5 TRP HD1 A 27 LYS HGx 1.0 0.0 4.68 180 149 A 27 LYS HGy A 5 TRP HD1 1.0 0.0 4.68 181 150 A 24 TRP HE3 A 23 LEU HBy 1.0 0.0 4.40 182 151 A 24 TRP HE3 A 23 LEU HDx% 1.0 0.0 4.30 183 151 A 23 LEU HDy% A 24 TRP HE3 1.0 0.0 4.30 184 152 A 24 TRP HE3 A 23 LEU HBx 1.0 0.0 4.40 185 153 A 26 LYS HA A 5 TRP HD1 1.0 0.0 3.58 186 154 A 5 TRP H A 4 LYS HBx 1.0 0.0 4.49 187 155 A 5 TRP H A 4 LYS HGx 1.0 0.0 5.50 188 156 A 7 TRP HBx A 4 LYS H 1.0 0.0 5.05 189 157 A 24 TRP HA A 24 TRP HD1 1.0 0.0 5.05 190 158 A 26 LYS H A 19 MET HBx 1.0 0.0 5.06 191 159 A 26 LYS H A 19 MET HBy 1.0 0.0 4.25 192 160 A 26 LYS H A 20 VAL H 1.0 0.0 4.01 193 161 A 26 LYS H A 22 ARG H 1.0 0.0 5.50 194 162 A 6 MET H A 5 TRP HD1 1.0 0.0 3.65 195 163 A 10 ASP H A 13 ARG H 1.0 0.0 3.68 196 164 A 7 TRP HE3 A 3 GLN HE2x 1.0 0.0 3.95 197 165 A 7 TRP H A 7 TRP HD1 1.0 0.0 3.96 198 166 A 27 LYS H A 5 TRP HD1 1.0 0.0 4.05 199 167 A 11 SER H A 12 GLU H 1.0 0.0 3.51 200 168 A 13 ARG H A 14 LYS H 1.0 0.0 4.58 201 169 A 24 TRP H A 24 TRP HE3 1.0 0.0 4.62 202 170 A 7 TRP HE3 A 3 GLN HE2y 1.0 0.0 4.03 203 171 A 13 ARG H A 13 ARG HE 1.0 0.0 4.68 204 172 A 25 CYS H A 24 TRP H 1.0 0.0 4.48 205 173 A 7 TRP HD1 A 4 LYS HBx 1.0 0.0 4.94 206 174 A 4 LYS HBx A 7 TRP HE1 1.0 0.0 4.68 207 175 A 8 THR HG2% A 24 TRP HE1 1.0 0.0 4.08 208 176 A 4 LYS HBy A 7 TRP HE1 1.0 0.0 5.39 209 177 A 5 TRP HE1 A 27 LYS HGx 1.0 0.0 4.72 210 177 A 27 LYS HGy A 5 TRP HE1 1.0 0.0 4.72 211 178 A 6 MET HBy A 5 TRP HE1 1.0 0.0 5.50 212 179 A 5 TRP HA A 5 TRP HE1 1.0 0.0 5.50 213 180 A 27 LYS H A 5 TRP HE1 1.0 0.0 4.61 214 181 A 26 LYS HA A 5 TRP HE1 1.0 0.0 4.96 215 182 A 8 THR HG2% A 24 TRP HD1 1.0 0.0 4.65 216 183 A 27 LYS HA A 27 LYS HGx 1.0 0.0 3.43 217 183 A 27 LYS HGy A 27 LYS HA 1.0 0.0 3.43 218 184 A 29 LEU HA A 29 LEU HDx% 1.0 0.0 4.07 219 185 A 29 LEU HA A 29 LEU HDy% 1.0 0.0 4.07 220 186 A 29 LEU H A 29 LEU HDx% 1.0 0.0 5.06 221 187 A 29 LEU H A 29 LEU HDy% 1.0 0.0 5.06 222 188 A 2 CYS H A 1 TYR HBx 1.0 0.0 4.31 223 189 A 3 GLN HGy A 3 GLN HA 1.0 0.0 3.58 224 190 A 12 GLU HA A 12 GLU HGx 1.0 0.0 3.88 225 190 A 12 GLU HA A 12 GLU HGy 1.0 0.0 3.88 226 191 A 13 ARG HA A 13 ARG HGx 1.0 0.0 3.79 227 192 A 13 ARG HGy A 13 ARG HA 1.0 0.0 3.86 228 193 A 27 LYS H A 26 LYS HBx 1.0 0.0 4.16 229 194 A 27 LYS H A 26 LYS HBy 1.0 0.0 4.16 230 195 A 30 TRP HD1 A 30 TRP HBx 1.0 0.0 3.65 231 196 A 30 TRP HD1 A 30 TRP HBy 1.0 0.0 3.65 232 197 A 24 TRP HBx A 24 TRP HE3 1.0 0.0 3.76 233 198 A 24 TRP HBy A 24 TRP HE3 1.0 0.0 3.91 234 199 A 6 MET H A 7 TRP H 1.0 0.0 4.39 235 200 A 6 MET HGx A 7 TRP H 1.0 0.0 5.50 236 201 A 6 MET HGy A 7 TRP H 1.0 0.0 4.86 237 202 A 6 MET H A 5 TRP HBx 1.0 0.0 4.20 238 202 A 6 MET H A 5 TRP HBy 1.0 0.0 4.20 239 203 A 6 MET HGx A 5 TRP HE1 1.0 0.0 5.50 240 204 A 29 LEU H A 28 LYS HA 1.0 0.0 3.25 241 205 A 29 LEU H A 28 LYS HGx 1.0 0.0 4.61 242 205 A 29 LEU H A 28 LYS HGy 1.0 0.0 4.61 243 206 A 29 LEU H A 28 LYS HBx 1.0 0.0 4.36 244 207 A 28 LYS H A 27 LYS HBx 1.0 0.0 4.33 245 208 A 28 LYS HA A 28 LYS HGx 1.0 0.0 3.58 246 208 A 28 LYS HGy A 28 LYS HA 1.0 0.0 3.58 247 209 A 4 LYS H A 4 LYS HDx 1.0 0.0 5.50 248 209 A 4 LYS H A 4 LYS HDy 1.0 0.0 5.50 249 210 A 4 LYS HBx A 4 LYS H 1.0 0.0 3.62 250 211 A 7 TRP HE3 A 4 LYS H 1.0 0.0 4.53 251 212 A 7 TRP HE3 A 3 GLN HA 1.0 0.0 3.38 252 213 A 4 LYS H A 3 GLN HA 1.0 0.0 3.06 253 214 A 3 GLN HGy A 4 LYS H 1.0 0.0 5.50 254 215 A 4 LYS HBx A 4 LYS HEx 1.0 0.0 5.50 255 215 A 4 LYS HEy A 4 LYS HBx 1.0 0.0 5.50 256 216 A 4 LYS HA A 4 LYS HDx 1.0 0.0 5.50 257 216 A 4 LYS HA A 4 LYS HDy 1.0 0.0 5.50 258 217 A 4 LYS HBy A 4 LYS HEx 1.0 0.0 5.50 259 217 A 4 LYS HEy A 4 LYS HBy 1.0 0.0 5.50 260 218 A 5 TRP H A 4 LYS HGy 1.0 0.0 5.50 261 219 A 5 TRP H A 4 LYS HDx 1.0 0.0 5.13 262 219 A 5 TRP H A 4 LYS HDy 1.0 0.0 5.13 263 220 A 7 TRP HZ2 A 4 LYS HBx 1.0 0.0 5.50 264 221 A 7 TRP HH2 A 4 LYS H 1.0 0.0 5.50 265 222 A 3 GLN HGx A 3 GLN HE2x 1.0 0.0 3.53 266 223 A 3 GLN HBy A 3 GLN HE2x 1.0 0.0 4.27 267 224 A 7 TRP HBx A 3 GLN HE2x 1.0 0.0 4.88 268 225 A 7 TRP HBy A 3 GLN HE2x 1.0 0.0 4.19 269 226 A 3 GLN HE2y A 3 GLN HA 1.0 0.0 3.86 270 227 A 24 TRP HD1 A 6 MET HA 1.0 0.0 3.72 271 228 A 6 MET HGy A 7 TRP HD1 1.0 0.0 4.53 272 229 A 13 ARG HE A 12 GLU HBx 1.0 0.0 5.50 273 230 A 5 TRP HA A 5 TRP HE3 1.0 0.0 5.20 274 231 A 5 TRP HA A 5 TRP HD1 1.0 0.0 3.47 275 232 A 15 CYS H A 9 CYS HBx 1.0 0.0 4.58 276 233 A 15 CYS H A 9 CYS HBy 1.0 0.0 4.77 277 234 A 9 CYS HA A 3 GLN HGx 1.0 0.0 4.14 278 235 A 13 ARG HGy A 9 CYS HA 1.0 0.0 4.68 279 236 A 9 CYS HA A 13 ARG HBx 1.0 0.0 3.90 280 236 A 13 ARG HBy A 9 CYS HA 1.0 0.0 3.90 281 237 A 24 TRP HBx A 6 MET HA 1.0 0.0 4.51 282 238 A 24 TRP HBy A 6 MET HA 1.0 0.0 4.30 283 239 A 9 CYS HA A 13 ARG HGx 1.0 0.0 4.83 284 240 A 3 GLN HGy A 9 CYS HA 1.0 0.0 4.30 285 241 A 6 MET HGy A 6 MET HA 1.0 0.0 4.02 286 242 A 26 LYS HA A 26 LYS HGx 1.0 0.0 3.90 287 243 A 5 TRP H A 4 LYS H 1.0 0.0 4.56 288 244 A 3 GLN HE2x A 3 GLN HA 1.0 0.0 5.35 289 245 A 6 MET H A 24 TRP HBy 1.0 0.0 4.98 290 246 A 5 TRP HD1 A 6 MET HA 1.0 0.0 4.36 291 247 A 2 CYS HA A 3 GLN HE2y 1.0 0.0 4.33 292 248 A 19 MET HA A 27 LYS HA 1.0 0.0 4.35 293 249 A 7 TRP HBy A 4 LYS H 1.0 0.0 5.20 294 250 A 7 TRP HBx A 3 GLN HA 1.0 0.0 5.10 295 251 A 4 LYS HA A 3 GLN HA 1.0 0.0 5.27 296 252 A 22 ARG HA A 23 LEU HA 1.0 0.0 5.50 297 253 A 3 GLN HBy A 4 LYS H 1.0 0.0 5.10 298 254 A 3 GLN HBx A 4 LYS H 1.0 0.0 5.50 299 255 A 17 GLU HBy A 19 MET HA 1.0 0.0 5.50 300 256 A 3 GLN HBx A 15 CYS HA 1.0 0.0 3.25 301 257 A 3 GLN HBy A 15 CYS HA 1.0 0.0 3.77 302 258 A 4 LYS HA A 5 TRP HBx 1.0 0.0 4.12 303 258 A 5 TRP HBy A 4 LYS HA 1.0 0.0 4.12 304 259 A 10 ASP HBx A 11 SER HBx 1.0 0.0 4.44 305 259 A 10 ASP HBy A 11 SER HBx 1.0 0.0 4.44 306 259 A 11 SER HBy A 10 ASP HBx 1.0 0.0 4.44 307 259 A 10 ASP HBy A 11 SER HBy 1.0 0.0 4.44 308 260 A 15 CYS HBy A 19 MET HBx 1.0 0.0 3.27 309 261 A 25 CYS HBy A 19 MET HBx 1.0 0.0 3.91 310 262 A 15 CYS HBy A 19 MET HBy 1.0 0.0 3.66 311 263 A 25 CYS HBy A 19 MET HBy 1.0 0.0 3.64 312 264 A 25 CYS HBx A 19 MET HBy 1.0 0.0 4.94 313 265 A 10 ASP HBx A 13 ARG HBx 1.0 0.0 3.99 314 265 A 10 ASP HBy A 13 ARG HBx 1.0 0.0 3.99 315 265 A 13 ARG HBy A 10 ASP HBx 1.0 0.0 3.99 316 265 A 10 ASP HBy A 13 ARG HBy 1.0 0.0 3.99 317 266 A 3 GLN HBy A 15 CYS HBy 1.0 0.0 4.55 318 267 A 15 CYS HBy A 19 MET HGx 1.0 0.0 5.22 319 267 A 15 CYS HBy A 19 MET HGy 1.0 0.0 5.22 320 268 A 26 LYS H A 25 CYS HBx 1.0 0.0 5.37 321 269 A 3 GLN HGy A 7 TRP HE3 1.0 0.0 5.50 322 270 A 20 VAL H A 25 CYS HBy 1.0 0.0 4.79 323 271 A 3 GLN HGy A 7 TRP H 1.0 0.0 5.50 324 272 A 3 GLN HBy A 7 TRP H 1.0 0.0 4.29 325 273 A 5 TRP HD1 A 26 LYS HBy 1.0 0.0 5.06 326 274 A 19 MET H A 17 GLU HBy 1.0 0.0 4.97 327 275 A 3 GLN H A 3 GLN HGx 1.0 0.0 4.11 328 276 A 5 TRP HD1 A 26 LYS HEx 1.0 0.0 4.63 329 276 A 5 TRP HD1 A 26 LYS HEy 1.0 0.0 4.63 330 277 A 27 LYS HA A 19 MET HGx 1.0 0.0 3.54 331 277 A 19 MET HGy A 27 LYS HA 1.0 0.0 3.54 332 278 A 3 GLN HBy A 7 TRP HBx 1.0 0.0 3.76 333 279 A 21 CYS HBy A 22 ARG HBx 1.0 0.0 5.50 334 280 A 2 CYS H A 1 TYR HBy 1.0 0.0 4.31 335 281 A 22 ARG HBy A 22 ARG HE 1.0 0.0 5.50 336 282 A 22 ARG H A 22 ARG HGx 1.0 0.0 5.19 337 283 A 23 LEU H A 22 ARG HGx 1.0 0.0 4.34 338 284 A 4 LYS HA A 4 LYS HEx 1.0 0.0 5.50 339 284 A 4 LYS HA A 4 LYS HEy 1.0 0.0 5.50 340 285 A 13 ARG HA A 10 ASP HBx 1.0 0.0 5.50 341 285 A 10 ASP HBy A 13 ARG HA 1.0 0.0 5.50 342 286 A 13 ARG HA A 13 ARG HDx 1.0 0.0 5.50 343 287 A 13 ARG HA A 13 ARG HDy 1.0 0.0 5.50 344 288 A 13 ARG H A 10 ASP HBx 1.0 0.0 5.50 345 288 A 10 ASP HBy A 13 ARG H 1.0 0.0 5.50 346 289 A 14 LYS HA A 14 LYS HDx 1.0 0.0 5.50 347 289 A 14 LYS HA A 14 LYS HDy 1.0 0.0 5.50 348 290 A 14 LYS HA A 14 LYS HEx 1.0 0.0 5.50 349 290 A 14 LYS HA A 14 LYS HEy 1.0 0.0 5.50 350 291 A 14 LYS HEy A 14 LYS HBx 1.0 0.0 5.50 351 291 A 14 LYS HBx A 14 LYS HEx 1.0 0.0 5.50 352 292 A 14 LYS HEy A 14 LYS HBy 1.0 0.0 5.50 353 292 A 14 LYS HBy A 14 LYS HEx 1.0 0.0 5.50 354 293 A 26 LYS HA A 26 LYS HEx 1.0 0.0 5.50 355 293 A 26 LYS HA A 26 LYS HEy 1.0 0.0 5.50 356 294 A 26 LYS HA A 26 LYS HGy 1.0 0.0 3.90 357 295 A 26 LYS HEy A 26 LYS HBx 1.0 0.0 5.50 358 295 A 26 LYS HBx A 26 LYS HEx 1.0 0.0 5.50 359 296 A 26 LYS HEy A 26 LYS HBy 1.0 0.0 5.50 360 296 A 26 LYS HBy A 26 LYS HEx 1.0 0.0 5.50 361 297 A 19 MET HA A 20 VAL HGx% 1.0 0.0 4.09 362 297 A 20 VAL HGy% A 19 MET HA 1.0 0.0 4.09 363 298 A 9 CYS HBx A 10 ASP HA 1.0 0.0 4.64 364 299 A 3 GLN HBx A 25 CYS HBx 1.0 0.0 4.80 365 300 A 25 CYS HBx A 19 MET HBx 1.0 0.0 5.19 366 301 A 13 ARG HGy A 3 GLN HE2x 1.0 0.0 5.34 367 302 A 10 ASP H A 13 ARG HA 1.0 0.0 5.19 368 303 A 22 ARG H A 25 CYS HA 1.0 0.0 3.76 369 304 A 7 TRP HH2 A 4 LYS HBx 1.0 0.0 5.50 370 305 A 8 THR HG2% A 24 TRP HZ2 1.0 0.0 5.50 371 306 A 7 TRP HA A 24 TRP HD1 1.0 0.0 4.39 372 307 A 13 ARG HE A 12 GLU HBy 1.0 0.0 5.50 373 308 A 8 THR H A 3 GLN HE2x 1.0 0.0 4.49 374 309 A 10 ASP H A 9 CYS H 1.0 0.0 5.50 375 310 A 8 THR H A 24 TRP HD1 1.0 0.0 5.50 376 311 A 8 THR H A 7 TRP HD1 1.0 0.0 5.50 377 312 A 7 TRP H A 24 TRP HD1 1.0 0.0 5.00 378 313 A 25 CYS H A 24 TRP HD1 1.0 0.0 5.50 379 314 A 21 CYS HBy A 20 VAL HA 1.0 0.0 5.34 380 315 A 15 CYS HA A 3 GLN HGx 1.0 0.0 3.91 381 316 A 8 THR HG2% A 7 TRP HA 1.0 0.0 4.40 382 317 A 8 THR HG2% A 24 TRP HA 1.0 0.0 5.17 383 318 A 3 GLN HGy A 7 TRP HBx 1.0 0.0 4.31 384 319 A 15 CYS HBx A 14 LYS HA 1.0 0.0 5.13 385 320 A 22 ARG HBx A 25 CYS HA 1.0 0.0 4.86 386 321 A 25 CYS HA A 26 LYS HGx 1.0 0.0 5.50 387 322 A 25 CYS HA A 26 LYS HGy 1.0 0.0 5.50 388 323 A 19 MET HBy A 25 CYS HA 1.0 0.0 4.11 389 324 A 19 MET HBy A 26 LYS HA 1.0 0.0 4.60 390 325 A 13 ARG HGy A 13 ARG HBx 1.0 0.0 2.69 391 325 A 13 ARG HBy A 13 ARG HGy 1.0 0.0 2.69 392 326 A 7 TRP HE1 A 4 LYS HEx 1.0 0.0 5.33 393 326 A 4 LYS HEy A 7 TRP HE1 1.0 0.0 5.33 394 327 A 22 ARG H A 20 VAL HGx% 1.0 0.0 4.49 395 327 A 20 VAL HGy% A 22 ARG H 1.0 0.0 4.49 396 328 A 15 CYS HBx A 19 MET HBx 1.0 0.0 3.66 397 329 A 12 GLU H A 12 GLU HGx 1.0 0.0 3.94 398 329 A 12 GLU H A 12 GLU HGy 1.0 0.0 3.94 399 330 A 13 ARG H A 12 GLU HGx 1.0 0.0 5.37 400 330 A 13 ARG H A 12 GLU HGy 1.0 0.0 5.37 401 331 A 13 ARG HA A 13 ARG HE 1.0 0.0 4.21 402 332 A 5 TRP HD1 A 26 LYS HGy 1.0 0.0 4.71 403 333 A 5 TRP HD1 A 26 LYS HGx 1.0 0.0 4.71 404 334 A 5 TRP HD1 A 26 LYS HBx 1.0 0.0 5.06 405 335 A 2 CYS H A 1 TYR HBy 1.0 0.0 3.58 406 335 A 2 CYS H A 1 TYR HBx 1.0 0.0 3.58 407 336 A 2 CYS H A 2 CYS HBx 1.0 0.0 3.60 408 336 A 2 CYS H A 2 CYS HBy 1.0 0.0 3.60 409 337 A 3 GLN H A 2 CYS HBx 1.0 0.0 3.24 410 337 A 3 GLN H A 2 CYS HBy 1.0 0.0 3.24 411 338 A 4 LYS H A 4 LYS HGy 1.0 0.0 3.60 412 338 A 4 LYS H A 4 LYS HGx 1.0 0.0 3.60 413 339 A 4 LYS HA A 4 LYS HGy 1.0 0.0 3.68 414 339 A 4 LYS HA A 4 LYS HGx 1.0 0.0 3.68 415 340 A 5 TRP H A 4 LYS HGy 1.0 0.0 4.77 416 340 A 5 TRP H A 4 LYS HGx 1.0 0.0 4.77 417 341 A 7 TRP HH2 A 4 LYS HGy 1.0 0.0 5.34 418 341 A 7 TRP HH2 A 4 LYS HGx 1.0 0.0 5.34 419 342 A 5 TRP HD1 A 26 LYS HBy 1.0 0.0 4.19 420 342 A 5 TRP HD1 A 26 LYS HBx 1.0 0.0 4.19 421 343 A 5 TRP HD1 A 26 LYS HGy 1.0 0.0 4.07 422 343 A 5 TRP HD1 A 26 LYS HGx 1.0 0.0 4.07 423 344 A 5 TRP HE1 A 26 LYS HBy 1.0 0.0 5.34 424 344 A 5 TRP HE1 A 26 LYS HBx 1.0 0.0 5.34 425 345 A 5 TRP HE1 A 26 LYS HGy 1.0 0.0 5.34 426 345 A 5 TRP HE1 A 26 LYS HGx 1.0 0.0 5.34 427 346 A 12 GLU H A 12 GLU HBy 1.0 0.0 3.19 428 346 A 12 GLU H A 12 GLU HBx 1.0 0.0 3.19 429 347 A 13 ARG H A 12 GLU HBy 1.0 0.0 3.71 430 347 A 13 ARG H A 12 GLU HBx 1.0 0.0 3.71 431 348 A 13 ARG H A 13 ARG HDy 1.0 0.0 5.34 432 348 A 13 ARG H A 13 ARG HDx 1.0 0.0 5.34 433 349 A 14 LYS H A 14 LYS HBy 1.0 0.0 3.06 434 349 A 14 LYS H A 14 LYS HBx 1.0 0.0 3.06 435 350 A 14 LYS H A 14 LYS HGx 1.0 0.0 3.08 436 350 A 14 LYS H A 14 LYS HGy 1.0 0.0 3.08 437 351 A 14 LYS HA A 14 LYS HGx 1.0 0.0 3.51 438 351 A 14 LYS HA A 14 LYS HGy 1.0 0.0 3.51 439 352 A 14 LYS HBx A 14 LYS HDx 1.0 0.0 3.36 440 352 A 14 LYS HBy A 14 LYS HDx 1.0 0.0 3.36 441 352 A 14 LYS HDy A 14 LYS HBy 1.0 0.0 3.36 442 352 A 14 LYS HDy A 14 LYS HBx 1.0 0.0 3.36 443 353 A 15 CYS H A 14 LYS HBy 1.0 0.0 3.52 444 353 A 15 CYS H A 14 LYS HBx 1.0 0.0 3.52 445 354 A 15 CYS H A 14 LYS HGx 1.0 0.0 4.63 446 354 A 15 CYS H A 14 LYS HGy 1.0 0.0 4.63 447 355 A 17 GLU H A 16 CYS HBx 1.0 0.0 3.26 448 355 A 17 GLU H A 16 CYS HBy 1.0 0.0 3.26 449 356 A 22 ARG H A 22 ARG HGy 1.0 0.0 4.43 450 356 A 22 ARG H A 22 ARG HGx 1.0 0.0 4.43 451 357 A 22 ARG H A 22 ARG HDy 1.0 0.0 4.60 452 357 A 22 ARG H A 22 ARG HDx 1.0 0.0 4.60 453 358 A 22 ARG HA A 22 ARG HGy 1.0 0.0 3.56 454 358 A 22 ARG HA A 22 ARG HGx 1.0 0.0 3.56 455 359 A 22 ARG HA A 22 ARG HDy 1.0 0.0 3.59 456 359 A 22 ARG HA A 22 ARG HDx 1.0 0.0 3.59 457 360 A 23 LEU H A 23 LEU HBx 1.0 0.0 3.55 458 360 A 23 LEU H A 23 LEU HBy 1.0 0.0 3.55 459 361 A 24 TRP H A 23 LEU HBx 1.0 0.0 4.12 460 361 A 24 TRP H A 23 LEU HBy 1.0 0.0 4.12 461 362 A 24 TRP HE3 A 23 LEU HBx 1.0 0.0 3.54 462 362 A 24 TRP HE3 A 23 LEU HBy 1.0 0.0 3.54 463 363 A 25 CYS HA A 26 LYS HBy 1.0 0.0 4.48 464 363 A 25 CYS HA A 26 LYS HBx 1.0 0.0 4.48 465 364 A 25 CYS HA A 26 LYS HGy 1.0 0.0 4.73 466 364 A 25 CYS HA A 26 LYS HGx 1.0 0.0 4.73 467 365 A 26 LYS H A 26 LYS HBy 1.0 0.0 3.53 468 365 A 26 LYS H A 26 LYS HBx 1.0 0.0 3.53 469 366 A 26 LYS HA A 26 LYS HGy 1.0 0.0 3.17 470 366 A 26 LYS HA A 26 LYS HGx 1.0 0.0 3.17 471 367 A 27 LYS HBy A 27 LYS HEx 1.0 0.0 5.34 472 367 A 27 LYS HBx A 27 LYS HEx 1.0 0.0 5.34 473 367 A 27 LYS HEy A 27 LYS HBy 1.0 0.0 5.34 474 367 A 27 LYS HBx A 27 LYS HEy 1.0 0.0 5.34 475 368 A 28 LYS H A 27 LYS HBy 1.0 0.0 3.73 476 368 A 28 LYS H A 27 LYS HBx 1.0 0.0 3.73 477 369 A 28 LYS H A 28 LYS HBy 1.0 0.0 3.68 478 369 A 28 LYS H A 28 LYS HBx 1.0 0.0 3.68 479 370 A 28 LYS HBy A 28 LYS HEx 1.0 0.0 3.97 480 370 A 28 LYS HBx A 28 LYS HEx 1.0 0.0 3.97 481 370 A 28 LYS HEy A 28 LYS HBy 1.0 0.0 3.97 482 370 A 28 LYS HBx A 28 LYS HEy 1.0 0.0 3.97 483 371 A 29 LEU H A 28 LYS HBy 1.0 0.0 3.62 484 371 A 29 LEU H A 28 LYS HBx 1.0 0.0 3.62 485 372 A 29 LEU H A 29 LEU HDx% 1.0 0.0 4.25 486 372 A 29 LEU H A 29 LEU HDy% 1.0 0.0 4.25 487 373 A 29 LEU HA A 29 LEU HDx% 1.0 0.0 3.51 488 373 A 29 LEU HA A 29 LEU HDy% 1.0 0.0 3.51 489 374 A 30 TRP H A 30 TRP HBy 1.0 0.0 3.66 490 374 A 30 TRP H A 30 TRP HBx 1.0 0.0 3.66 491 375 A 30 TRP HD1 A 30 TRP HBy 1.0 0.0 3.16 492 375 A 30 TRP HD1 A 30 TRP HBx 1.0 0.0 3.16 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 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 2 CYS O A 4 LYS N 1.0 0.0 3.3 2 2 A 25 CYS O A 7 TRP N 1.0 0.0 3.3 3 3 A 13 ARG O A 10 ASP N 1.0 0.0 3.3 4 4 A 15 CYS O A 19 MET N 1.0 0.0 3.3 5 5 A 7 TRP O A 25 CYS N 1.0 0.0 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 1 TYR C A 2 CYS N A 2 CYS CA A 2 CYS C 1.0 -163.5 -51.5 PHI 2 2 A 2 CYS N A 2 CYS CA A 2 CYS C A 3 GLN N 1.0 112.7 181.5 PSI 3 3 A 2 CYS C A 3 GLN N A 3 GLN CA A 3 GLN C 1.0 -128.3 -88.3 PHI 4 4 A 3 GLN C A 4 LYS N A 4 LYS CA A 4 LYS C 1.0 -100.4 -42.8 PHI 5 5 A 4 LYS N A 4 LYS CA A 4 LYS C A 5 TRP N 1.0 113.8 177.6 PSI 6 6 A 5 TRP C A 6 MET N A 6 MET CA A 6 MET C 1.0 -115.9 -59.3 PHI 7 7 A 6 MET N A 6 MET CA A 6 MET C A 7 TRP N 1.0 105.6 145.6 PSI 8 8 A 7 TRP C A 8 THR N A 8 THR CA A 8 THR C 1.0 -189.5 -42.1 PHI 9 9 A 8 THR N A 8 THR CA A 8 THR C A 9 CYS N 1.0 41.7 209.3 PSI 10 10 A 8 THR C A 9 CYS N A 9 CYS CA A 9 CYS C 1.0 -150.1 -110.1 PHI 11 11 A 9 CYS N A 9 CYS CA A 9 CYS C A 10 ASP N 1.0 134.8 174.8 PSI 12 12 A 12 GLU C A 13 ARG N A 13 ARG CA A 13 ARG C 1.0 -109.4 -69.4 PHI 13 13 A 13 ARG N A 13 ARG CA A 13 ARG C A 14 LYS N 1.0 50.9 123.1 PSI 14 14 A 13 ARG C A 14 LYS N A 14 LYS CA A 14 LYS C 1.0 -152.3 -42.3 PHI 15 15 A 14 LYS N A 14 LYS CA A 14 LYS C A 15 CYS N 1.0 111.7 162.9 PSI 16 16 A 14 LYS C A 15 CYS N A 15 CYS CA A 15 CYS C 1.0 -121.7 -55.9 PHI 17 17 A 15 CYS N A 15 CYS CA A 15 CYS C A 16 CYS N 1.0 94.7 161.5 PSI 18 18 A 15 CYS C A 16 CYS N A 16 CYS CA A 16 CYS C 1.0 -178.9 -37.5 PHI 19 19 A 16 CYS N A 16 CYS CA A 16 CYS C A 17 GLU N 1.0 68.0 167.6 PSI 20 20 A 16 CYS C A 17 GLU N A 17 GLU CA A 17 GLU C 1.0 25.3 85.3 PHI 21 21 A 17 GLU N A 17 GLU CA A 17 GLU C A 18 GLY N 1.0 7.8 67.8 PSI 22 22 A 18 GLY C A 19 MET N A 19 MET CA A 19 MET C 1.0 -135.8 -95.8 PHI 23 23 A 19 MET N A 19 MET CA A 19 MET C A 20 VAL N 1.0 121.1 161.1 PSI 24 24 A 19 MET C A 20 VAL N A 20 VAL CA A 20 VAL C 1.0 -134.2 -78.0 PHI 25 25 A 20 VAL N A 20 VAL CA A 20 VAL C A 21 CYS N 1.0 107.1 147.3 PSI 26 26 A 20 VAL C A 21 CYS N A 21 CYS CA A 21 CYS C 1.0 -112.9 -72.9 PHI 27 27 A 21 CYS N A 21 CYS CA A 21 CYS C A 22 ARG N 1.0 97.2 137.2 PSI 28 28 A 24 TRP C A 25 CYS N A 25 CYS CA A 25 CYS C 1.0 -118.5 -67.5 PHI 29 29 A 25 CYS N A 25 CYS CA A 25 CYS C A 26 LYS N 1.0 97.8 151.6 PSI 30 30 A 25 CYS C A 26 LYS N A 26 LYS CA A 26 LYS C 1.0 -159.9 -50.7 PHI 31 31 A 26 LYS N A 26 LYS CA A 26 LYS C A 27 LYS N 1.0 98.2 185.4 PSI 32 32 A 27 LYS C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 -105.8 -65.8 PHI 33 33 A 28 LYS N A 28 LYS CA A 28 LYS C A 29 LEU N 1.0 82.4 147.0 PSI 34 34 A 9 CYS N A 9 CYS CA A 9 CYS CB A 9 CYS SG 1.0 30.0 90.0 CHI1 35 35 A 25 CYS N A 25 CYS CA A 25 CYS CB A 25 CYS SG 1.0 -90.0 -30.0 CHI1 36 36 A 15 CYS N A 15 CYS CA A 15 CYS CB A 15 CYS SG 1.0 -90.0 -30.0 CHI1 37 37 A 21 CYS N A 21 CYS CA A 21 CYS CB A 21 CYS SG 1.0 -210.0 -150.0 CHI1 38 38 A 16 CYS N A 16 CYS CA A 16 CYS CB A 16 CYS SG 1.0 -90.0 -30.0 CHI1 stop_ save_