data_nef_c30784_7jnn 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 7JNN 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 4 CYS SG 1 46 CYS SG 1 15 CYS SG 1 35 CYS SG 1 20 CYS SG 1 40 CYS SG 1 24 CYS SG 1 42 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 ALA start . . 2 A 2 LYS middle . . 3 A 3 HIS middle . . 4 A 4 CYS middle -HG . 5 A 5 GLY middle . false 6 A 6 LYS middle . . 7 A 7 HIS middle . . 8 A 8 SER middle . . 9 A 9 LYS middle . . 10 A 10 SER middle . . 11 A 11 TRP middle . . 12 A 12 ASN middle . . 13 A 13 GLY middle . false 14 A 14 LYS middle . . 15 A 15 CYS middle -HG . 16 A 16 PHE middle . . 17 A 17 HIS middle . . 18 A 18 LYS middle . . 19 A 19 LYS middle . . 20 A 20 CYS middle -HG . 21 A 21 ASN middle . . 22 A 22 HIS middle . . 23 A 23 TRP middle . . 24 A 24 CYS middle -HG . 25 A 25 MET middle . . 26 A 26 GLU middle . . 27 A 27 LYS middle . . 28 A 28 GLU middle . . 29 A 29 ASP middle . . 30 A 30 ALA middle . . 31 A 31 LYS middle . . 32 A 32 TYR middle . . 33 A 33 GLY middle . false 34 A 34 SER middle . . 35 A 35 CYS middle -HG . 36 A 36 SER middle . . 37 A 37 HIS middle . . 38 A 38 GLY middle . false 39 A 39 ASP middle . . 40 A 40 CYS middle -HG . 41 A 41 TYR middle . . 42 A 42 CYS middle -HG . 43 A 43 TYR middle . . 44 A 44 TYR middle . . 45 A 45 HIS middle . . 46 A 46 CYS end -HG . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 ALA HA H 1 4.096 0.001 A 1 ALA HB% H 1 1.476 0.004 A 1 ALA CA C 13 51.537 0.000 A 1 ALA CB C 13 19.407 0.000 A 2 LYS H H 1 8.581 0.002 A 2 LYS HA H 1 4.361 0.004 A 2 LYS HBx H 1 1.744 0.002 A 2 LYS HBy H 1 1.795 0.008 A 2 LYS HDx H 1 1.697 0.009 A 2 LYS HDy H 1 1.697 0.009 A 2 LYS HEx H 1 3.000 0.000 A 2 LYS HEy H 1 3.000 0.000 A 2 LYS HGx H 1 1.418 0.004 A 2 LYS HGy H 1 1.428 0.015 A 2 LYS CA C 13 56.467 0.000 A 2 LYS CB C 13 33.804 0.030 A 2 LYS CD C 13 29.124 0.000 A 2 LYS CG C 13 25.036 0.000 A 2 LYS N N 15 121.187 0.000 A 3 HIS H H 1 8.631 0.003 A 3 HIS HA H 1 5.274 0.002 A 3 HIS HBx H 1 3.206 0.004 A 3 HIS HBy H 1 3.206 0.004 A 3 HIS HD2 H 1 6.927 0.003 A 3 HIS HE1 H 1 8.553 0.000 A 3 HIS CA C 13 55.516 0.000 A 3 HIS CB C 13 31.407 0.000 A 3 HIS N N 15 119.111 0.000 A 4 CYS H H 1 9.196 0.001 A 4 CYS HA H 1 5.068 0.010 A 4 CYS HBx H 1 3.012 0.005 A 4 CYS HBy H 1 3.221 0.006 A 4 CYS CA C 13 58.609 0.000 A 4 CYS CB C 13 40.545 0.026 A 4 CYS N N 15 121.063 0.000 A 5 GLY H H 1 8.913 0.001 A 5 GLY HAx H 1 2.876 0.004 A 5 GLY HAy H 1 4.209 0.006 A 5 GLY CA C 13 44.566 0.007 A 5 GLY N N 15 112.952 0.000 A 6 LYS H H 1 9.046 0.001 A 6 LYS HA H 1 4.659 0.002 A 6 LYS HBx H 1 1.756 0.005 A 6 LYS HBy H 1 1.878 0.007 A 6 LYS HDx H 1 1.537 0.001 A 6 LYS HDy H 1 1.613 0.003 A 6 LYS HEx H 1 2.806 0.000 A 6 LYS HEy H 1 2.806 0.000 A 6 LYS HGx H 1 1.388 0.004 A 6 LYS HGy H 1 1.388 0.004 A 6 LYS CA C 13 54.635 0.000 A 6 LYS CB C 13 36.082 0.002 A 6 LYS CD C 13 29.084 0.008 A 6 LYS CG C 13 24.286 0.000 A 6 LYS N N 15 116.706 0.000 A 7 HIS H H 1 8.990 0.004 A 7 HIS HA H 1 3.541 0.005 A 7 HIS HBx H 1 2.908 0.004 A 7 HIS HBy H 1 2.980 0.007 A 7 HIS HD2 H 1 7.180 0.000 A 7 HIS HE1 H 1 8.648 0.000 A 7 HIS CA C 13 56.310 0.000 A 7 HIS CB C 13 28.259 0.000 A 7 HIS N N 15 130.943 0.000 A 8 SER H H 1 8.566 0.002 A 8 SER HA H 1 4.630 0.004 A 8 SER HBx H 1 3.578 0.008 A 8 SER HBy H 1 3.939 0.009 A 8 SER CA C 13 57.824 0.000 A 8 SER CB C 13 63.454 0.008 A 9 LYS H H 1 7.261 0.004 A 9 LYS HA H 1 4.268 0.005 A 9 LYS HBx H 1 1.789 0.000 A 9 LYS HBy H 1 1.789 0.000 A 10 SER H H 1 8.261 0.002 A 10 SER HA H 1 4.610 0.005 A 10 SER HBx H 1 3.818 0.004 A 10 SER HBy H 1 4.155 0.015 A 10 SER N N 15 111.893 0.000 A 11 TRP H H 1 8.328 0.001 A 11 TRP HA H 1 3.445 0.007 A 11 TRP HBx H 1 2.881 0.008 A 11 TRP HBy H 1 2.881 0.008 A 11 TRP HD1 H 1 7.001 0.000 A 11 TRP HE1 H 1 9.053 0.001 A 11 TRP CA C 13 58.415 0.000 A 11 TRP CB C 13 28.424 0.000 A 11 TRP N N 15 124.822 0.000 A 12 ASN HA H 1 4.640 0.002 A 12 ASN HBx H 1 2.342 0.012 A 12 ASN HBy H 1 2.379 0.011 A 12 ASN HD2y H 1 7.369 0.006 A 12 ASN HD2x H 1 6.766 0.007 A 12 ASN CA C 13 52.247 0.000 A 12 ASN CB C 13 41.526 0.000 A 12 ASN ND2 N 15 113.205 0.005 A 13 GLY H H 1 8.175 0.004 A 13 GLY HAx H 1 3.733 0.003 A 13 GLY HAy H 1 4.064 0.002 A 13 GLY CA C 13 43.873 0.000 A 13 GLY N N 15 109.282 0.000 A 14 LYS H H 1 8.408 0.002 A 14 LYS HA H 1 4.204 0.002 A 14 LYS HBx H 1 1.671 0.011 A 14 LYS HBy H 1 1.779 0.002 A 14 LYS HEx H 1 2.944 0.002 A 14 LYS HEy H 1 2.944 0.002 A 14 LYS HGx H 1 1.150 0.009 A 14 LYS HGy H 1 1.359 0.002 A 14 LYS CB C 13 32.682 0.062 A 14 LYS CG C 13 24.853 0.009 A 14 LYS N N 15 121.492 0.000 A 15 CYS H H 1 8.506 0.005 A 15 CYS HA H 1 4.243 0.006 A 15 CYS HBx H 1 2.460 0.006 A 15 CYS HBy H 1 2.626 0.010 A 15 CYS CA C 13 56.830 0.000 A 15 CYS CB C 13 39.252 0.036 A 15 CYS N N 15 123.656 0.000 A 16 PHE H H 1 6.725 0.009 A 16 PHE HA H 1 4.912 0.007 A 16 PHE HBx H 1 2.773 0.003 A 16 PHE HBy H 1 3.560 0.005 A 16 PHE HDx H 1 7.415 0.000 A 16 PHE HDy H 1 7.415 0.000 A 16 PHE HEx H 1 7.387 0.000 A 16 PHE HEy H 1 7.387 0.000 A 16 PHE CA C 13 57.162 0.000 A 16 PHE CB C 13 42.631 0.004 A 16 PHE N N 15 114.702 0.000 A 17 HIS HA H 1 4.137 0.005 A 17 HIS HBx H 1 3.388 0.009 A 17 HIS HBy H 1 3.464 0.002 A 17 HIS HD2 H 1 7.264 0.001 A 17 HIS HE1 H 1 8.630 0.000 A 17 HIS CA C 13 61.111 0.000 A 17 HIS CB C 13 30.021 0.018 A 18 LYS H H 1 9.223 0.003 A 18 LYS HA H 1 4.059 0.005 A 18 LYS HBx H 1 1.932 0.000 A 18 LYS HBy H 1 2.016 0.002 A 18 LYS HDx H 1 1.771 0.005 A 18 LYS HDy H 1 1.771 0.005 A 18 LYS HEx H 1 3.048 0.000 A 18 LYS HEy H 1 3.048 0.000 A 18 LYS HGx H 1 1.471 0.011 A 18 LYS HGy H 1 1.631 0.011 A 18 LYS CA C 13 60.427 0.000 A 18 LYS CB C 13 32.193 0.020 A 18 LYS CD C 13 29.430 0.000 A 18 LYS CG C 13 25.658 0.027 A 18 LYS N N 15 119.362 0.000 A 19 LYS H H 1 7.256 0.005 A 19 LYS HA H 1 4.381 0.006 A 19 LYS HBx H 1 2.007 0.013 A 19 LYS HBy H 1 2.170 0.002 A 19 LYS HDx H 1 1.855 0.000 A 19 LYS HDy H 1 1.855 0.000 A 19 LYS HEx H 1 2.872 0.000 A 19 LYS HEy H 1 2.927 0.000 A 19 LYS HGx H 1 1.580 0.004 A 19 LYS HGy H 1 1.766 0.011 A 19 LYS CA C 13 59.423 0.000 A 19 LYS CB C 13 34.032 0.002 A 19 LYS CD C 13 29.598 0.000 A 19 LYS CG C 13 25.853 0.004 A 19 LYS N N 15 118.169 0.000 A 20 CYS H H 1 8.359 0.003 A 20 CYS HA H 1 4.246 0.006 A 20 CYS HBx H 1 2.379 0.003 A 20 CYS HBy H 1 2.379 0.003 A 20 CYS N N 15 119.533 0.000 A 21 ASN H H 1 8.602 0.003 A 21 ASN HA H 1 4.103 0.006 A 21 ASN HBx H 1 2.847 0.005 A 21 ASN HBy H 1 2.847 0.005 A 21 ASN HD2y H 1 7.781 0.006 A 21 ASN HD2x H 1 6.700 0.011 A 21 ASN CA C 13 57.970 0.000 A 21 ASN CB C 13 39.166 0.000 A 21 ASN N N 15 118.096 0.000 A 21 ASN ND2 N 15 113.730 0.018 A 22 HIS H H 1 8.108 0.004 A 22 HIS HA H 1 4.338 0.002 A 22 HIS HBx H 1 3.459 0.003 A 22 HIS HBy H 1 3.459 0.003 A 22 HIS HD2 H 1 7.501 0.002 A 22 HIS HE1 H 1 8.671 0.000 A 22 HIS CA C 13 55.659 0.000 A 22 HIS CB C 13 28.555 0.000 A 22 HIS N N 15 115.106 0.000 A 23 TRP H H 1 8.851 0.002 A 23 TRP HA H 1 4.222 0.002 A 23 TRP HBx H 1 3.727 0.005 A 23 TRP HBy H 1 3.869 0.007 A 23 TRP HD1 H 1 7.270 0.001 A 23 TRP HE1 H 1 10.445 0.004 A 23 TRP CB C 13 29.608 0.001 A 23 TRP N N 15 121.578 0.000 A 24 CYS H H 1 9.045 0.003 A 24 CYS HA H 1 4.195 0.001 A 24 CYS HBx H 1 2.453 0.005 A 24 CYS HBy H 1 2.719 0.003 A 24 CYS CB C 13 35.538 0.010 A 24 CYS N N 15 121.487 0.000 A 25 MET H H 1 7.919 0.004 A 25 MET HA H 1 4.256 0.002 A 25 MET HBy H 1 2.202 0.004 A 25 MET HBx H 1 2.201 0.004 A 25 MET HGx H 1 2.635 0.001 A 25 MET HGy H 1 2.635 0.001 A 25 MET CA C 13 59.298 0.000 A 25 MET CB C 13 31.343 0.000 A 25 MET CG C 13 31.370 0.000 A 25 MET N N 15 117.407 0.000 A 26 GLU H H 1 8.526 0.001 A 26 GLU HA H 1 4.164 0.003 A 26 GLU HBx H 1 1.878 0.002 A 26 GLU HBy H 1 1.878 0.002 A 26 GLU HGx H 1 2.243 0.007 A 26 GLU HGy H 1 2.295 0.003 A 26 GLU CA C 13 58.229 0.000 A 26 GLU CB C 13 30.014 0.000 A 26 GLU CG C 13 35.657 0.011 A 26 GLU N N 15 116.148 0.000 A 27 LYS H H 1 8.582 0.004 A 27 LYS HA H 1 4.336 0.006 A 27 LYS HBx H 1 1.090 0.001 A 27 LYS HBy H 1 1.234 0.002 A 27 LYS HDx H 1 0.898 0.003 A 27 LYS HDy H 1 1.091 0.001 A 27 LYS HEx H 1 2.496 0.001 A 27 LYS HEy H 1 2.496 0.001 A 27 LYS HGx H 1 0.109 0.003 A 27 LYS HGy H 1 0.706 0.015 A 27 LYS CA C 13 59.718 0.000 A 27 LYS CB C 13 32.328 0.012 A 27 LYS CD C 13 27.552 0.008 A 27 LYS CE C 13 41.787 0.021 A 27 LYS CG C 13 23.921 0.003 A 27 LYS N N 15 115.073 0.000 A 28 GLU H H 1 6.727 0.002 A 28 GLU HA H 1 4.835 0.005 A 28 GLU HBx H 1 2.303 0.011 A 28 GLU HBy H 1 2.598 0.010 A 28 GLU HGx H 1 1.985 0.000 A 28 GLU HGy H 1 2.155 0.000 A 28 GLU CA C 13 55.560 0.000 A 28 GLU CB C 13 29.580 0.041 A 28 GLU CG C 13 34.363 0.000 A 29 ASP H H 1 7.934 0.001 A 29 ASP HA H 1 4.539 0.002 A 29 ASP HBx H 1 2.772 0.000 A 29 ASP HBy H 1 3.237 0.001 A 29 ASP CA C 13 55.077 0.000 A 29 ASP CB C 13 38.208 0.033 A 30 ALA H H 1 7.912 0.003 A 30 ALA HA H 1 4.170 0.003 A 30 ALA HB% H 1 0.800 0.005 A 30 ALA CA C 13 50.740 0.000 A 30 ALA CB C 13 21.603 0.000 A 30 ALA N N 15 119.609 0.000 A 31 LYS H H 1 8.301 0.003 A 31 LYS HA H 1 4.235 0.002 A 31 LYS HBx H 1 1.634 0.001 A 31 LYS HBy H 1 1.901 0.003 A 31 LYS HDx H 1 1.743 0.002 A 31 LYS HDy H 1 1.743 0.002 A 31 LYS HEx H 1 3.099 0.000 A 31 LYS HEy H 1 3.099 0.000 A 31 LYS HGx H 1 1.621 0.011 A 31 LYS HGy H 1 1.621 0.011 A 31 LYS CA C 13 59.069 0.000 A 31 LYS CB C 13 32.378 0.012 A 31 LYS CD C 13 28.002 0.000 A 31 LYS CG C 13 24.508 0.000 A 31 LYS N N 15 117.289 0.000 A 32 TYR H H 1 7.215 0.005 A 32 TYR HA H 1 4.761 0.005 A 32 TYR HBx H 1 3.209 0.006 A 32 TYR HBy H 1 3.487 0.002 A 32 TYR HDx H 1 6.511 0.001 A 32 TYR HDy H 1 6.511 0.001 A 32 TYR HEx H 1 5.775 0.008 A 32 TYR HEy H 1 5.775 0.008 A 32 TYR CA C 13 56.701 0.000 A 32 TYR CB C 13 38.304 0.053 A 32 TYR N N 15 107.845 0.000 A 33 GLY H H 1 9.753 0.003 A 33 GLY HAx H 1 3.925 0.013 A 33 GLY HAy H 1 5.680 0.010 A 33 GLY CA C 13 45.763 0.009 A 33 GLY N N 15 108.203 0.000 A 34 SER H H 1 9.463 0.002 A 34 SER HA H 1 4.483 0.006 A 34 SER HBx H 1 3.872 0.003 A 34 SER HBy H 1 3.872 0.003 A 34 SER CA C 13 57.899 0.000 A 34 SER CB C 13 65.228 0.000 A 35 CYS H H 1 8.980 0.006 A 35 CYS HA H 1 5.587 0.003 A 35 CYS HBx H 1 2.772 0.013 A 35 CYS HBy H 1 2.936 0.012 A 35 CYS CA C 13 53.670 0.000 A 35 CYS CB C 13 40.878 0.013 A 35 CYS N N 15 121.896 0.000 A 36 SER H H 1 9.465 0.001 A 36 SER HA H 1 4.498 0.006 A 36 SER HBx H 1 3.467 0.010 A 36 SER HBy H 1 3.467 0.010 A 36 SER CA C 13 57.982 0.000 A 36 SER CB C 13 64.270 0.000 A 37 HIS H H 1 9.396 0.001 A 37 HIS HA H 1 4.281 0.004 A 37 HIS HBx H 1 3.392 0.007 A 37 HIS HBy H 1 3.451 0.005 A 37 HIS HD2 H 1 7.290 0.015 A 37 HIS HE1 H 1 8.570 0.000 A 37 HIS CB C 13 27.027 0.003 A 37 HIS N N 15 124.610 0.000 A 38 GLY H H 1 8.786 0.002 A 38 GLY HAx H 1 3.690 0.004 A 38 GLY HAy H 1 4.285 0.004 A 38 GLY CA C 13 45.309 0.000 A 38 GLY N N 15 104.260 0.000 A 39 ASP H H 1 8.074 0.004 A 39 ASP HA H 1 5.008 0.006 A 39 ASP HBx H 1 2.295 0.004 A 39 ASP HBy H 1 2.757 0.006 A 39 ASP CA C 13 52.350 0.000 A 39 ASP CB C 13 43.401 0.003 A 39 ASP N N 15 120.889 0.000 A 40 CYS H H 1 8.660 0.003 A 40 CYS HA H 1 4.699 0.013 A 40 CYS HBx H 1 1.750 0.000 A 40 CYS HBy H 1 2.057 0.003 A 40 CYS CA C 13 54.802 0.000 A 40 CYS N N 15 116.953 0.000 A 41 TYR H H 1 8.994 0.004 A 41 TYR HA H 1 4.633 0.008 A 41 TYR HBx H 1 2.099 0.005 A 41 TYR HBy H 1 3.087 0.008 A 41 TYR HDx H 1 6.742 0.000 A 41 TYR HDy H 1 6.742 0.000 A 41 TYR HEx H 1 6.668 0.001 A 41 TYR HEy H 1 6.668 0.001 A 41 TYR CB C 13 41.282 0.011 A 41 TYR N N 15 123.110 0.000 A 42 CYS H H 1 8.653 0.005 A 42 CYS HA H 1 5.232 0.003 A 42 CYS HBx H 1 2.726 0.008 A 42 CYS HBy H 1 2.843 0.010 A 42 CYS CA C 13 50.631 0.000 A 42 CYS CB C 13 37.120 0.014 A 42 CYS N N 15 120.042 0.000 A 43 TYR H H 1 8.470 0.003 A 43 TYR HA H 1 4.832 0.012 A 43 TYR HBx H 1 1.008 0.002 A 43 TYR HBy H 1 1.966 0.006 A 43 TYR HDx H 1 6.563 0.003 A 43 TYR HDy H 1 6.563 0.003 A 43 TYR HEx H 1 6.663 0.000 A 43 TYR HEy H 1 6.663 0.000 A 43 TYR CA C 13 58.115 0.000 A 43 TYR CB C 13 40.350 0.021 A 43 TYR N N 15 119.985 0.000 A 44 TYR H H 1 8.365 0.002 A 44 TYR HA H 1 4.705 0.007 A 44 TYR HBx H 1 2.676 0.002 A 44 TYR HBy H 1 3.368 0.005 A 44 TYR HDx H 1 7.209 0.002 A 44 TYR HDy H 1 7.209 0.002 A 44 TYR HEx H 1 6.686 0.003 A 44 TYR HEy H 1 6.686 0.003 A 44 TYR CA C 13 57.029 0.000 A 44 TYR CB C 13 42.439 0.002 A 44 TYR N N 15 119.543 0.000 A 45 HIS H H 1 9.326 0.002 A 45 HIS HA H 1 4.757 0.005 A 45 HIS HBx H 1 3.384 0.001 A 45 HIS HBy H 1 3.384 0.001 A 45 HIS HD2 H 1 7.433 0.002 A 45 HIS HE1 H 1 8.649 0.000 A 45 HIS CA C 13 56.648 0.000 A 45 HIS CB C 13 28.522 0.000 A 45 HIS N N 15 120.419 0.000 A 46 CYS H H 1 8.149 0.003 A 46 CYS HA H 1 4.505 0.002 A 46 CYS HBx H 1 3.126 0.004 A 46 CYS HBy H 1 3.389 0.007 A 46 CYS CA C 13 56.794 0.000 A 46 CYS CB C 13 43.137 0.020 A 46 CYS N N 15 128.070 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 30 ALA H A 30 ALA HB% 1.0 1.8 3.17 2 2 A 1 ALA HB% A 2 LYS H 1.0 1.8 3.87 3 3 A 2 LYS H A 1 ALA HA 1.0 1.8 3.12 4 4 A 3 HIS HA A 4 CYS H 1.0 1.8 3.42 5 5 A 4 CYS H A 3 HIS H 1.0 1.8 4.86 6 6 A 4 CYS HA A 5 GLY H 1.0 1.8 3.07 7 7 A 5 GLY H A 4 CYS HBx 1.0 1.8 4.59 8 8 A 5 GLY H A 4 CYS HBy 1.0 1.8 4.59 9 9 A 32 TYR HBy A 33 GLY H 1.0 1.8 4.37 10 10 A 33 GLY H A 32 TYR HBx 1.0 1.8 3.49 11 11 A 33 GLY H A 32 TYR HD% 1.0 1.8 4.41 12 12 A 30 ALA HB% A 31 LYS H 1.0 1.8 3.38 13 13 A 31 LYS H A 30 ALA HA 1.0 1.8 3.30 14 14 A 30 ALA HA A 44 TYR HD% 1.0 1.8 3.40 15 15 A 31 LYS H A 44 TYR HA 1.0 1.8 3.79 16 16 A 31 LYS H A 32 TYR H 1.0 1.8 3.36 17 17 A 30 ALA H A 31 LYS H 1.0 1.8 4.97 18 18 A 27 LYS H A 27 LYS HBx 1.0 1.8 4.13 19 19 A 27 LYS H A 27 LYS HBy 1.0 1.8 4.13 20 20 A 27 LYS H A 27 LYS HGx 1.0 1.8 4.74 21 21 A 27 LYS H A 25 MET H 1.0 1.8 4.78 22 22 A 27 LYS H A 29 ASP H 1.0 1.8 5.12 23 23 A 1 ALA HB% A 2 LYS HA 1.0 1.8 4.25 24 24 A 3 HIS H A 2 LYS HA 1.0 1.8 2.80 25 25 A 3 HIS HA A 3 HIS HD2 1.0 1.8 4.67 26 26 A 3 HIS HD2 A 32 TYR HE% 1.0 1.8 5.50 27 27 A 5 GLY H A 43 TYR HE% 1.0 1.8 4.73 28 28 A 5 GLY H A 43 TYR HD% 1.0 1.8 4.78 29 29 A 30 ALA HB% A 24 CYS H 1.0 1.8 4.86 30 30 A 6 LYS H A 6 LYS HGx 1.0 1.8 5.46 31 31 A 6 LYS H A 6 LYS HGy 1.0 1.8 5.46 32 32 A 24 CYS H A 24 CYS HBx 1.0 1.8 3.70 33 33 A 24 CYS H A 24 CYS HBy 1.0 1.8 3.70 34 34 A 24 CYS H A 23 TRP HBx 1.0 1.8 3.80 35 35 A 24 CYS H A 23 TRP HBy 1.0 1.8 3.80 36 36 A 25 MET H A 24 CYS H 1.0 1.8 3.77 37 37 A 24 CYS H A 23 TRP H 1.0 1.8 3.64 38 38 A 25 MET H A 26 GLU H 1.0 1.8 3.64 39 39 A 38 GLY H A 39 ASP H 1.0 1.8 3.61 40 40 A 38 GLY H A 37 HIS H 1.0 1.8 3.74 41 41 A 37 HIS H A 36 SER HA 1.0 1.8 2.94 42 42 A 38 GLY H A 37 HIS HBx 1.0 1.8 4.70 43 43 A 38 GLY H A 37 HIS HBy 1.0 1.8 4.70 44 44 A 38 GLY H A 36 SER HA 1.0 1.8 4.55 45 45 A 38 GLY H A 37 HIS HA 1.0 1.8 3.21 46 46 A 37 HIS H A 37 HIS HA 1.0 1.8 2.93 47 47 A 39 ASP H A 39 ASP HBx 1.0 1.8 3.30 48 48 A 39 ASP H A 39 ASP HBy 1.0 1.8 4.08 49 49 A 39 ASP H A 35 CYS HA 1.0 1.8 4.89 50 50 A 39 ASP H A 41 TYR HD% 1.0 1.8 4.48 51 51 A 39 ASP H A 36 SER H 1.0 1.8 3.73 52 52 A 12 ASN HA A 13 GLY H 1.0 1.8 3.15 53 53 A 13 GLY H A 14 LYS H 1.0 1.8 4.56 54 54 A 14 LYS H A 14 LYS HBx 1.0 1.8 3.61 55 55 A 14 LYS H A 14 LYS HBy 1.0 1.8 3.61 56 56 A 14 LYS H A 14 LYS HGx 1.0 1.8 4.74 57 57 A 14 LYS H A 14 LYS HGy 1.0 1.8 4.74 58 58 A 14 LYS HA A 15 CYS H 1.0 1.8 2.75 59 59 A 15 CYS H A 14 LYS HEx 1.0 1.8 5.50 60 60 A 15 CYS H A 14 LYS HEy 1.0 1.8 5.50 61 61 A 15 CYS H A 15 CYS HBx 1.0 1.8 3.36 62 62 A 15 CYS H A 15 CYS HBy 1.0 1.8 3.36 63 63 A 15 CYS H A 14 LYS HBx 1.0 1.8 4.32 64 64 A 15 CYS H A 14 LYS HBy 1.0 1.8 4.32 65 65 A 15 CYS H A 14 LYS HGx 1.0 1.8 4.39 66 66 A 15 CYS H A 14 LYS HGy 1.0 1.8 4.39 67 67 A 23 TRP H A 23 TRP HBx 1.0 1.8 3.43 68 68 A 31 LYS H A 31 LYS HBx 1.0 1.8 3.84 69 69 A 31 LYS H A 31 LYS HBy 1.0 1.8 3.84 70 70 A 32 TYR H A 31 LYS HBx 1.0 1.8 3.73 71 71 A 32 TYR H A 31 LYS HBy 1.0 1.8 3.73 72 72 A 32 TYR HD% A 32 TYR HA 1.0 1.8 4.75 73 73 A 32 TYR HD% A 32 TYR H 1.0 1.8 4.12 74 74 A 33 GLY H A 21 ASN HA 1.0 1.8 3.38 75 75 A 33 GLY H A 21 ASN HBx 1.0 1.8 4.18 76 76 A 33 GLY H A 24 CYS HBx 1.0 1.8 5.50 77 77 A 21 ASN HA A 33 GLY HAx 1.0 1.8 4.33 78 78 A 33 GLY HAx A 24 CYS HBx 1.0 1.8 5.25 79 79 A 33 GLY HAx A 24 CYS HBy 1.0 1.8 5.25 80 80 A 33 GLY HAx A 42 CYS HA 1.0 1.8 4.56 81 81 A 42 CYS HA A 33 GLY HAy 1.0 1.8 4.17 82 82 A 34 SER H A 41 TYR H 1.0 1.8 3.69 83 83 A 38 GLY H A 36 SER H 1.0 1.8 4.72 84 84 A 34 SER H A 42 CYS H 1.0 1.8 5.50 85 85 A 36 SER H A 40 CYS H 1.0 1.8 5.50 86 86 A 41 TYR HD% A 36 SER H 1.0 1.8 3.62 87 87 A 43 TYR HE% A 34 SER H 1.0 1.8 3.68 88 88 A 43 TYR HD% A 34 SER H 1.0 1.8 4.11 89 89 A 33 GLY HAx A 34 SER H 1.0 1.8 3.37 90 90 A 35 CYS HA A 36 SER H 1.0 1.8 2.95 91 91 A 42 CYS HA A 34 SER H 1.0 1.8 4.50 92 92 A 39 ASP HBx A 36 SER H 1.0 1.8 3.97 93 93 A 35 CYS HA A 36 SER HBx 1.0 1.8 5.50 94 94 A 35 CYS HA A 36 SER HBy 1.0 1.8 5.50 95 95 A 7 HIS H A 7 HIS HBx 1.0 1.8 3.40 96 96 A 7 HIS H A 7 HIS HBy 1.0 1.8 3.40 97 97 A 17 HIS HA A 35 CYS H 1.0 1.8 5.08 98 98 A 35 CYS H A 34 SER HA 1.0 1.8 3.27 99 99 A 35 CYS HA A 41 TYR H 1.0 1.8 4.46 100 100 A 41 TYR HD% A 41 TYR H 1.0 1.8 3.57 101 101 A 7 HIS H A 8 SER H 1.0 1.8 4.56 102 102 A 34 SER H A 41 TYR HBy 1.0 1.8 4.93 103 103 A 34 SER H A 41 TYR HBx 1.0 1.8 4.93 104 104 A 36 SER H A 36 SER HBx 1.0 1.8 3.87 105 105 A 36 SER H A 36 SER HBy 1.0 1.8 3.87 106 106 A 33 GLY HAy A 34 SER H 1.0 1.8 3.48 107 107 A 42 CYS H A 42 CYS HBx 1.0 1.8 3.59 108 108 A 42 CYS H A 42 CYS HBy 1.0 1.8 4.09 109 109 A 42 CYS H A 41 TYR HA 1.0 1.8 3.07 110 110 A 41 TYR H A 42 CYS H 1.0 1.8 4.62 111 111 A 42 CYS HA A 43 TYR H 1.0 1.8 3.17 112 112 A 32 TYR HE% A 43 TYR HE% 1.0 1.8 4.43 113 113 A 32 TYR HE% A 43 TYR HD% 1.0 1.8 4.21 114 114 A 43 TYR HE% A 33 GLY HAx 1.0 1.8 4.51 115 115 A 43 TYR HD% A 33 GLY HAx 1.0 1.8 3.46 116 116 A 43 TYR HE% A 42 CYS HA 1.0 1.8 4.81 117 117 A 43 TYR HD% A 42 CYS HA 1.0 1.8 3.87 118 118 A 4 CYS HA A 43 TYR HE% 1.0 1.8 5.50 119 119 A 4 CYS HA A 43 TYR HD% 1.0 1.8 4.83 120 120 A 42 CYS HBx A 44 TYR HE% 1.0 1.8 3.55 121 121 A 42 CYS HBy A 44 TYR HE% 1.0 1.8 3.82 122 122 A 42 CYS HBx A 43 TYR H 1.0 1.8 4.39 123 123 A 42 CYS HBy A 43 TYR H 1.0 1.8 3.93 124 124 A 41 TYR H A 41 TYR HBx 1.0 1.8 3.89 125 125 A 41 TYR H A 41 TYR HBy 1.0 1.8 3.89 126 126 A 30 ALA HB% A 43 TYR H 1.0 1.8 3.77 127 127 A 30 ALA HB% A 44 TYR HE% 1.0 1.8 3.58 128 128 A 32 TYR H A 43 TYR HBx 1.0 1.8 4.32 129 129 A 30 ALA HB% A 32 TYR H 1.0 1.8 3.55 130 130 A 30 ALA HB% A 44 TYR HD% 1.0 1.8 3.85 131 131 A 43 TYR H A 43 TYR HBx 1.0 1.8 3.68 132 132 A 43 TYR H A 43 TYR HBy 1.0 1.8 4.00 133 133 A 33 GLY HAy A 43 TYR H 1.0 1.8 4.65 134 134 A 33 GLY HAx A 43 TYR H 1.0 1.8 4.32 135 135 A 23 TRP HD1 A 24 CYS HA 1.0 1.8 3.64 136 136 A 23 TRP H A 23 TRP HBy 1.0 1.8 3.43 137 137 A 23 TRP H A 23 TRP HD1 1.0 1.8 5.19 138 138 A 23 TRP H A 22 HIS H 1.0 1.8 3.72 139 139 A 22 HIS H A 21 ASN HBy 1.0 1.8 3.25 140 140 A 19 LYS H A 21 ASN H 1.0 1.8 4.59 141 141 A 22 HIS H A 21 ASN H 1.0 1.8 3.73 142 142 A 19 LYS H A 19 LYS HBx 1.0 1.8 3.75 143 143 A 19 LYS H A 19 LYS HBy 1.0 1.8 3.75 144 144 A 19 LYS H A 18 LYS H 1.0 1.8 4.05 145 145 A 18 LYS H A 18 LYS HBx 1.0 1.8 4.02 146 146 A 18 LYS H A 18 LYS HBy 1.0 1.8 4.02 147 147 A 18 LYS H A 18 LYS HGx 1.0 1.8 5.03 148 148 A 18 LYS H A 17 HIS HBx 1.0 1.8 4.18 149 149 A 18 LYS H A 17 HIS HBy 1.0 1.8 4.18 150 150 A 24 CYS H A 21 ASN HA 1.0 1.8 4.53 151 151 A 44 TYR H A 44 TYR HBy 1.0 1.8 4.09 152 152 A 44 TYR H A 4 CYS HBx 1.0 1.8 4.51 153 153 A 44 TYR H A 4 CYS HBy 1.0 1.8 4.51 154 154 A 44 TYR H A 44 TYR HBx 1.0 1.8 4.09 155 155 A 44 TYR HE% A 44 TYR H 1.0 1.8 4.93 156 156 A 43 TYR HD% A 44 TYR H 1.0 1.8 4.53 157 157 A 44 TYR HD% A 44 TYR H 1.0 1.8 3.30 158 158 A 19 LYS H A 20 CYS H 1.0 1.8 3.72 159 159 A 44 TYR H A 45 HIS H 1.0 1.8 4.79 160 160 A 4 CYS H A 44 TYR H 1.0 1.8 4.34 161 161 A 21 ASN H A 20 CYS H 1.0 1.8 3.55 162 162 A 21 ASN H A 20 CYS HBx 1.0 1.8 4.20 163 163 A 21 ASN H A 20 CYS HBy 1.0 1.8 4.20 164 164 A 21 ASN HBx A 21 ASN H 1.0 1.8 3.29 165 165 A 21 ASN HBy A 21 ASN H 1.0 1.8 3.42 166 166 A 21 ASN H A 21 ASN HD2y 1.0 1.8 4.66 167 167 A 22 HIS HD2 A 18 LYS HGx 1.0 1.8 5.05 168 168 A 22 HIS HD2 A 18 LYS HGy 1.0 1.8 5.05 169 169 A 21 ASN HBy A 22 HIS HD2 1.0 1.8 4.90 170 170 A 22 HIS HD2 A 22 HIS HA 1.0 1.8 4.49 171 171 A 22 HIS H A 22 HIS HD2 1.0 1.8 4.81 172 172 A 22 HIS H A 21 ASN HD2x 1.0 1.8 4.82 173 173 A 22 HIS H A 21 ASN HD2y 1.0 1.8 4.59 174 174 A 25 MET H A 24 CYS HBx 1.0 1.8 4.01 175 175 A 25 MET H A 24 CYS HBy 1.0 1.8 4.01 176 176 A 25 MET H A 25 MET HBy 1.0 1.8 3.89 177 177 A 25 MET H A 25 MET HBx 1.0 1.8 3.89 178 178 A 26 GLU H A 26 GLU HBx 1.0 1.8 3.55 179 179 A 26 GLU H A 26 GLU HBy 1.0 1.8 3.55 180 180 A 26 GLU H A 28 GLU H 1.0 1.8 4.47 181 181 A 39 ASP HBy A 41 TYR HD% 1.0 1.8 3.63 182 182 A 46 CYS H A 46 CYS HBx 1.0 1.8 3.66 183 183 A 46 CYS H A 4 CYS HBx 1.0 1.8 4.97 184 184 A 46 CYS H A 46 CYS HBy 1.0 1.8 3.66 185 185 A 46 CYS H A 45 HIS HA 1.0 1.8 3.29 186 186 A 45 HIS H A 46 CYS H 1.0 1.8 4.90 187 187 A 44 TYR HA A 45 HIS H 1.0 1.8 3.35 188 188 A 45 HIS HA A 45 HIS HD2 1.0 1.8 4.68 189 189 A 44 TYR HD% A 45 HIS H 1.0 1.8 4.43 190 190 A 43 TYR HBx A 44 TYR H 1.0 1.8 4.62 191 191 A 44 TYR HD% A 44 TYR HA 1.0 1.8 3.46 192 192 A 43 TYR HE% A 43 TYR H 1.0 1.8 4.88 193 193 A 43 TYR HD% A 43 TYR H 1.0 1.8 3.62 194 194 A 32 TYR H A 43 TYR H 1.0 1.8 4.00 195 195 A 40 CYS H A 39 ASP HA 1.0 1.8 3.13 196 196 A 7 HIS H A 6 LYS HBx 1.0 1.8 4.11 197 197 A 7 HIS H A 6 LYS HBy 1.0 1.8 4.11 198 198 A 24 CYS H A 23 TRP HD1 1.0 1.8 4.56 199 199 A 7 HIS H A 6 LYS HGx 1.0 1.8 5.35 200 200 A 7 HIS H A 6 LYS HGy 1.0 1.8 5.35 201 201 A 8 SER H A 8 SER HBy 1.0 1.8 3.93 202 202 A 8 SER H A 8 SER HBx 1.0 1.8 3.93 203 203 A 10 SER H A 9 LYS HBx 1.0 1.8 4.63 204 204 A 10 SER H A 9 LYS HBy 1.0 1.8 4.63 205 205 A 29 ASP H A 29 ASP HA 1.0 1.8 2.87 206 206 A 29 ASP H A 28 GLU H 1.0 1.8 3.34 207 207 A 27 LYS H A 28 GLU H 1.0 1.8 3.40 208 208 A 28 GLU H A 27 LYS HBx 1.0 1.8 4.42 209 209 A 28 GLU H A 27 LYS HBy 1.0 1.8 4.42 210 210 A 27 LYS H A 27 LYS HGy 1.0 1.8 4.74 211 211 A 15 CYS HA A 16 PHE H 1.0 1.8 3.30 212 212 A 16 PHE HA A 16 PHE HD% 1.0 1.8 3.59 213 213 A 16 PHE H A 16 PHE HD% 1.0 1.8 4.14 214 214 A 41 TYR HD% A 41 TYR HA 1.0 1.8 3.41 215 215 A 41 TYR HD% A 36 SER HBx 1.0 1.8 4.29 216 216 A 41 TYR HD% A 36 SER HBy 1.0 1.8 4.29 217 217 A 43 TYR HE% A 41 TYR HBx 1.0 1.8 3.56 218 218 A 43 TYR HD% A 41 TYR HBx 1.0 1.8 4.91 219 219 A 43 TYR HD% A 5 GLY HAy 1.0 1.8 4.30 220 220 A 39 ASP HBx A 41 TYR HD% 1.0 1.8 3.36 221 221 A 43 TYR HE% A 41 TYR HBy 1.0 1.8 3.56 222 222 A 43 TYR HD% A 41 TYR HBy 1.0 1.8 4.91 223 223 A 42 CYS HBx A 41 TYR HA 1.0 1.8 5.05 224 224 A 18 LYS HA A 18 LYS HDx 1.0 1.8 5.49 225 225 A 18 LYS HA A 18 LYS HDy 1.0 1.8 5.49 226 226 A 21 ASN HBx A 33 GLY HAy 1.0 1.8 4.45 227 227 A 33 GLY HAy A 24 CYS HBx 1.0 1.8 4.75 228 228 A 33 GLY HAy A 24 CYS HBy 1.0 1.8 4.75 229 229 A 25 MET H A 26 GLU HBx 1.0 1.8 5.50 230 230 A 25 MET H A 26 GLU HBy 1.0 1.8 5.50 231 231 A 30 ALA HB% A 28 GLU HBy 1.0 1.8 4.47 232 232 A 30 ALA HB% A 42 CYS HBx 1.0 1.8 3.83 233 233 A 30 ALA HB% A 24 CYS HBx 1.0 1.8 3.85 234 234 A 30 ALA HB% A 42 CYS HBy 1.0 1.8 3.43 235 235 A 30 ALA HB% A 28 GLU HBx 1.0 1.8 4.47 236 236 A 30 ALA HB% A 24 CYS HBy 1.0 1.8 3.85 237 237 A 27 LYS HA A 27 LYS HDx 1.0 1.8 4.45 238 238 A 27 LYS HA A 27 LYS HDy 1.0 1.8 4.45 239 239 A 17 HIS HA A 34 SER HA 1.0 2.2 4.87 240 240 A 32 TYR HBx A 43 TYR HBx 1.0 1.8 4.92 241 241 A 44 TYR HA A 31 LYS HGx 1.0 1.8 5.20 242 242 A 44 TYR HA A 31 LYS HGy 1.0 1.8 5.20 243 243 A 30 ALA HB% A 44 TYR HA 1.0 1.8 4.54 244 244 A 30 ALA HB% A 42 CYS HA 1.0 1.8 4.10 245 245 A 30 ALA HB% A 42 CYS H 1.0 1.8 5.50 246 246 A 18 LYS H A 18 LYS HDx 1.0 1.8 5.50 247 247 A 18 LYS H A 18 LYS HDy 1.0 1.8 5.50 248 248 A 45 HIS H A 31 LYS HDx 1.0 1.8 5.50 249 249 A 45 HIS H A 31 LYS HDy 1.0 1.8 5.50 250 250 A 18 LYS H A 18 LYS HGy 1.0 1.8 5.03 251 251 A 39 ASP HBy A 36 SER H 1.0 1.8 5.19 252 252 A 39 ASP HBy A 40 CYS H 1.0 1.8 3.58 253 253 A 39 ASP H A 15 CYS HBx 1.0 1.8 5.35 254 254 A 39 ASP H A 15 CYS HBy 1.0 1.8 5.35 255 255 A 33 GLY H A 24 CYS HBy 1.0 1.8 5.50 256 256 A 45 HIS H A 31 LYS HEx 1.0 1.8 5.50 257 257 A 45 HIS H A 31 LYS HEy 1.0 1.8 5.50 258 258 A 46 CYS H A 4 CYS HBy 1.0 1.8 4.97 259 259 A 15 CYS H A 39 ASP HA 1.0 1.8 5.50 260 260 A 38 GLY H A 39 ASP HA 1.0 1.8 5.50 261 261 A 31 LYS H A 44 TYR HE% 1.0 1.8 4.90 262 262 A 45 HIS H A 45 HIS HD2 1.0 1.8 5.20 263 263 A 33 GLY H A 32 TYR H 1.0 1.8 5.33 264 264 A 8 SER H A 7 HIS HD2 1.0 1.8 4.60 265 265 A 24 CYS H A 22 HIS H 1.0 1.8 5.06 266 266 A 34 SER H A 43 TYR H 1.0 1.8 5.18 267 267 A 24 CYS H A 26 GLU H 1.0 1.8 4.74 268 268 A 35 CYS HA A 41 TYR HD% 1.0 1.8 4.27 269 269 A 32 TYR H A 32 TYR HE% 1.0 1.8 5.30 270 270 A 32 TYR H A 42 CYS HA 1.0 1.8 5.00 271 271 A 41 TYR HD% A 39 ASP HA 1.0 1.8 4.87 272 272 A 32 TYR HD% A 31 LYS HA 1.0 1.8 4.62 273 273 A 43 TYR HD% A 5 GLY HAx 1.0 1.8 4.30 274 274 A 30 ALA HA A 44 TYR HE% 1.0 1.8 3.31 275 275 A 15 CYS HA A 16 PHE HD% 1.0 1.8 4.67 276 276 A 43 TYR HE% A 34 SER HBx 1.0 1.8 4.35 277 277 A 43 TYR HE% A 34 SER HBy 1.0 1.8 4.35 278 278 A 11 TRP HA A 11 TRP HD1 1.0 1.8 4.58 279 279 A 32 TYR HBx A 32 TYR H 1.0 1.8 4.07 280 280 A 44 TYR HE% A 6 LYS HBx 1.0 1.8 3.90 281 281 A 44 TYR HE% A 6 LYS HBy 1.0 1.8 3.90 282 282 A 44 TYR HE% A 6 LYS HDx 1.0 1.8 4.27 283 283 A 44 TYR HE% A 6 LYS HDy 1.0 1.8 4.27 284 284 A 32 TYR HD% A 31 LYS HBx 1.0 1.8 3.39 285 285 A 32 TYR HD% A 31 LYS HDx 1.0 1.8 5.50 286 286 A 32 TYR HD% A 31 LYS HDy 1.0 1.8 5.50 287 287 A 32 TYR HD% A 31 LYS HBy 1.0 1.8 3.39 288 288 A 16 PHE HD% A 14 LYS HGx 1.0 1.8 5.14 289 289 A 16 PHE HD% A 14 LYS HGy 1.0 1.8 5.14 290 290 A 30 ALA HB% A 43 TYR HD% 1.0 1.8 5.40 291 291 A 32 TYR HE% A 31 LYS HDx 1.0 1.8 5.50 292 292 A 32 TYR HE% A 31 LYS HDy 1.0 1.8 5.50 293 293 A 34 SER H A 41 TYR HA 1.0 1.8 5.47 294 294 A 21 ASN HA A 34 SER H 1.0 1.8 5.50 295 295 A 30 ALA H A 44 TYR HD% 1.0 1.8 4.88 296 296 A 32 TYR HBx A 43 TYR H 1.0 1.8 5.50 297 297 A 3 HIS HA A 44 TYR H 1.0 1.8 5.50 298 298 A 4 CYS H A 43 TYR HD% 1.0 1.8 5.29 299 299 A 30 ALA HB% A 44 TYR H 1.0 1.8 5.44 300 300 A 11 TRP HD1 A 11 TRP H 1.0 1.8 5.05 301 301 A 35 CYS HA A 40 CYS H 1.0 1.8 5.49 302 302 A 39 ASP H A 40 CYS H 1.0 1.8 5.15 303 303 A 2 LYS H A 2 LYS HBx 1.0 1.8 3.39 304 303 A 2 LYS H A 2 LYS HBy 1.0 1.8 3.39 305 304 A 2 LYS HA A 3 HIS HBx 1.0 1.8 5.34 306 304 A 2 LYS HA A 3 HIS HBy 1.0 1.8 5.34 307 305 A 4 CYS H A 3 HIS HBx 1.0 1.8 3.76 308 305 A 4 CYS H A 3 HIS HBy 1.0 1.8 3.76 309 306 A 4 CYS HA A 3 HIS HBx 1.0 1.8 4.37 310 306 A 4 CYS HA A 3 HIS HBy 1.0 1.8 4.37 311 307 A 32 TYR HE% A 3 HIS HBx 1.0 1.8 4.73 312 307 A 32 TYR HE% A 3 HIS HBy 1.0 1.8 4.73 313 308 A 43 TYR HBy A 3 HIS HBx 1.0 1.8 3.88 314 308 A 43 TYR HBy A 3 HIS HBy 1.0 1.8 3.88 315 309 A 43 TYR HD% A 3 HIS HBx 1.0 1.8 3.43 316 309 A 43 TYR HD% A 3 HIS HBy 1.0 1.8 3.43 317 310 A 4 CYS H A 4 CYS HBx 1.0 1.8 3.58 318 310 A 4 CYS H A 4 CYS HBy 1.0 1.8 3.58 319 311 A 5 GLY H A 4 CYS HBx 1.0 1.8 3.83 320 311 A 5 GLY H A 4 CYS HBy 1.0 1.8 3.83 321 312 A 44 TYR H A 4 CYS HBx 1.0 1.8 3.88 322 312 A 44 TYR H A 4 CYS HBy 1.0 1.8 3.88 323 313 A 46 CYS HA A 4 CYS HBx 1.0 1.8 4.45 324 313 A 4 CYS HBy A 46 CYS HA 1.0 1.8 4.45 325 314 A 6 LYS H A 5 GLY HAy 1.0 1.8 2.99 326 314 A 6 LYS H A 5 GLY HAx 1.0 1.8 2.99 327 315 A 43 TYR HD% A 5 GLY HAy 1.0 1.8 3.73 328 315 A 43 TYR HD% A 5 GLY HAx 1.0 1.8 3.73 329 316 A 6 LYS H A 6 LYS HGy 1.0 1.8 4.68 330 316 A 6 LYS H A 6 LYS HGx 1.0 1.8 4.68 331 317 A 6 LYS HA A 6 LYS HDy 1.0 1.8 4.82 332 317 A 6 LYS HA A 6 LYS HDx 1.0 1.8 4.82 333 318 A 6 LYS HA A 7 HIS HBx 1.0 1.8 4.43 334 318 A 6 LYS HA A 7 HIS HBy 1.0 1.8 4.43 335 319 A 7 HIS H A 6 LYS HBy 1.0 1.8 3.61 336 319 A 7 HIS H A 6 LYS HBx 1.0 1.8 3.61 337 320 A 44 TYR HD% A 6 LYS HBy 1.0 1.8 3.89 338 320 A 44 TYR HD% A 6 LYS HBx 1.0 1.8 3.89 339 321 A 44 TYR HE% A 6 LYS HBy 1.0 1.8 3.24 340 321 A 44 TYR HE% A 6 LYS HBx 1.0 1.8 3.24 341 322 A 6 LYS HDx A 6 LYS HGy 1.0 1.8 2.34 342 322 A 6 LYS HGx A 6 LYS HDy 1.0 1.8 2.34 343 322 A 6 LYS HGx A 6 LYS HDx 1.0 1.8 2.34 344 322 A 6 LYS HDy A 6 LYS HGy 1.0 1.8 2.34 345 323 A 7 HIS H A 6 LYS HGy 1.0 1.8 4.63 346 323 A 7 HIS H A 6 LYS HGx 1.0 1.8 4.63 347 324 A 44 TYR HE% A 6 LYS HGy 1.0 1.8 4.46 348 324 A 44 TYR HE% A 6 LYS HGx 1.0 1.8 4.46 349 325 A 44 TYR HE% A 6 LYS HDy 1.0 1.8 3.75 350 325 A 44 TYR HE% A 6 LYS HDx 1.0 1.8 3.75 351 326 A 8 SER H A 7 HIS HBx 1.0 1.8 4.36 352 326 A 8 SER H A 7 HIS HBy 1.0 1.8 4.36 353 327 A 8 SER H A 8 SER HBy 1.0 1.8 3.16 354 327 A 8 SER H A 8 SER HBx 1.0 1.8 3.16 355 328 A 10 SER H A 9 LYS HBy 1.0 1.8 4.01 356 328 A 10 SER H A 9 LYS HBx 1.0 1.8 4.01 357 329 A 10 SER H A 10 SER HBx 1.0 1.8 3.68 358 329 A 10 SER H A 10 SER HBy 1.0 1.8 3.68 359 330 A 11 TRP H A 11 TRP HBx 1.0 1.8 3.28 360 330 A 11 TRP H A 11 TRP HBy 1.0 1.8 3.28 361 331 A 13 GLY H A 12 ASN HBx 1.0 1.8 4.38 362 331 A 13 GLY H A 12 ASN HBy 1.0 1.8 4.38 363 332 A 14 LYS H A 13 GLY HAx 1.0 1.8 3.11 364 332 A 14 LYS H A 13 GLY HAy 1.0 1.8 3.11 365 333 A 14 LYS H A 14 LYS HBy 1.0 1.8 3.11 366 333 A 14 LYS H A 14 LYS HBx 1.0 1.8 3.11 367 334 A 14 LYS HA A 14 LYS HGy 1.0 1.8 3.71 368 334 A 14 LYS HA A 14 LYS HGx 1.0 1.8 3.71 369 335 A 15 CYS H A 14 LYS HBy 1.0 1.8 3.57 370 335 A 15 CYS H A 14 LYS HBx 1.0 1.8 3.57 371 336 A 16 PHE HD% A 14 LYS HBy 1.0 1.8 3.44 372 336 A 16 PHE HD% A 14 LYS HBx 1.0 1.8 3.44 373 337 A 15 CYS H A 14 LYS HGy 1.0 1.8 3.79 374 337 A 15 CYS H A 14 LYS HGx 1.0 1.8 3.79 375 338 A 16 PHE HD% A 14 LYS HGy 1.0 1.8 4.49 376 338 A 16 PHE HD% A 14 LYS HGx 1.0 1.8 4.49 377 339 A 15 CYS H A 38 GLY HAx 1.0 1.8 4.74 378 339 A 15 CYS H A 38 GLY HAy 1.0 1.8 4.74 379 340 A 36 SER H A 15 CYS HBx 1.0 1.8 5.28 380 340 A 36 SER H A 15 CYS HBy 1.0 1.8 5.28 381 341 A 15 CYS HBx A 38 GLY HAx 1.0 1.8 4.08 382 341 A 15 CYS HBy A 38 GLY HAx 1.0 1.8 4.08 383 341 A 38 GLY HAy A 15 CYS HBx 1.0 1.8 4.08 384 341 A 38 GLY HAy A 15 CYS HBy 1.0 1.8 4.08 385 342 A 39 ASP H A 15 CYS HBx 1.0 1.8 4.65 386 342 A 39 ASP H A 15 CYS HBy 1.0 1.8 4.65 387 343 A 39 ASP HA A 15 CYS HBx 1.0 1.8 4.24 388 343 A 39 ASP HA A 15 CYS HBy 1.0 1.8 4.24 389 344 A 40 CYS H A 15 CYS HBx 1.0 1.8 5.07 390 344 A 40 CYS H A 15 CYS HBy 1.0 1.8 5.07 391 345 A 19 LYS H A 16 PHE HBx 1.0 1.8 4.08 392 345 A 19 LYS H A 16 PHE HBy 1.0 1.8 4.08 393 346 A 17 HIS HD2 A 17 HIS HBx 1.0 1.8 3.38 394 346 A 17 HIS HBy A 17 HIS HD2 1.0 1.8 3.38 395 347 A 18 LYS H A 17 HIS HBx 1.0 1.8 3.50 396 347 A 18 LYS H A 17 HIS HBy 1.0 1.8 3.50 397 348 A 18 LYS H A 18 LYS HBy 1.0 1.8 3.44 398 348 A 18 LYS H A 18 LYS HBx 1.0 1.8 3.44 399 349 A 18 LYS H A 18 LYS HGy 1.0 1.8 4.26 400 349 A 18 LYS H A 18 LYS HGx 1.0 1.8 4.26 401 350 A 18 LYS HA A 18 LYS HDy 1.0 1.8 4.67 402 350 A 18 LYS HA A 18 LYS HDx 1.0 1.8 4.67 403 351 A 19 LYS H A 19 LYS HBy 1.0 1.8 3.12 404 351 A 19 LYS H A 19 LYS HBx 1.0 1.8 3.12 405 352 A 19 LYS H A 19 LYS HGx 1.0 1.8 4.55 406 352 A 19 LYS H A 19 LYS HGy 1.0 1.8 4.55 407 353 A 20 CYS H A 19 LYS HBy 1.0 1.8 3.87 408 353 A 20 CYS H A 19 LYS HBx 1.0 1.8 3.87 409 354 A 20 CYS HA A 19 LYS HBy 1.0 1.8 4.58 410 354 A 19 LYS HBx A 20 CYS HA 1.0 1.8 4.58 411 355 A 21 ASN H A 19 LYS HBy 1.0 1.8 5.16 412 355 A 21 ASN H A 19 LYS HBx 1.0 1.8 5.16 413 356 A 20 CYS H A 19 LYS HGx 1.0 1.8 4.91 414 356 A 20 CYS H A 19 LYS HGy 1.0 1.8 4.91 415 357 A 20 CYS H A 20 CYS HBx 1.0 1.8 3.08 416 357 A 20 CYS H A 20 CYS HBy 1.0 1.8 3.08 417 358 A 21 ASN H A 20 CYS HBx 1.0 1.8 3.61 418 358 A 21 ASN H A 20 CYS HBy 1.0 1.8 3.61 419 359 A 21 ASN HA A 24 CYS HBx 1.0 1.8 4.34 420 359 A 21 ASN HA A 24 CYS HBy 1.0 1.8 4.34 421 360 A 21 ASN HBy A 22 HIS HBx 1.0 1.8 4.61 422 360 A 21 ASN HBy A 22 HIS HBy 1.0 1.8 4.61 423 361 A 22 HIS H A 22 HIS HBx 1.0 1.8 2.94 424 361 A 22 HIS H A 22 HIS HBy 1.0 1.8 2.94 425 362 A 23 TRP H A 22 HIS HBx 1.0 1.8 3.58 426 362 A 23 TRP H A 22 HIS HBy 1.0 1.8 3.58 427 363 A 24 CYS H A 23 TRP HBy 1.0 1.8 3.20 428 363 A 24 CYS H A 23 TRP HBx 1.0 1.8 3.20 429 364 A 23 TRP HD1 A 27 LYS HBy 1.0 1.8 4.09 430 364 A 23 TRP HD1 A 27 LYS HBx 1.0 1.8 4.09 431 365 A 24 CYS H A 24 CYS HBx 1.0 1.8 3.08 432 365 A 24 CYS H A 24 CYS HBy 1.0 1.8 3.08 433 366 A 25 MET H A 24 CYS HBx 1.0 1.8 3.39 434 366 A 25 MET H A 24 CYS HBy 1.0 1.8 3.39 435 367 A 30 ALA HB% A 24 CYS HBx 1.0 1.8 3.11 436 367 A 30 ALA HB% A 24 CYS HBy 1.0 1.8 3.11 437 368 A 33 GLY H A 24 CYS HBx 1.0 1.8 4.77 438 368 A 33 GLY H A 24 CYS HBy 1.0 1.8 4.77 439 369 A 33 GLY HAx A 24 CYS HBx 1.0 1.8 4.59 440 369 A 33 GLY HAx A 24 CYS HBy 1.0 1.8 4.59 441 370 A 33 GLY HAy A 24 CYS HBx 1.0 1.8 3.90 442 370 A 33 GLY HAy A 24 CYS HBy 1.0 1.8 3.90 443 371 A 42 CYS HA A 24 CYS HBx 1.0 1.8 4.39 444 371 A 42 CYS HA A 24 CYS HBy 1.0 1.8 4.39 445 372 A 25 MET H A 25 MET HBx 1.0 1.8 3.30 446 372 A 25 MET H A 25 MET HBy 1.0 1.8 3.30 447 373 A 26 GLU H A 25 MET HBx 1.0 1.8 3.76 448 373 A 26 GLU H A 25 MET HBy 1.0 1.8 3.76 449 374 A 26 GLU H A 26 GLU HBy 1.0 1.8 3.05 450 374 A 26 GLU H A 26 GLU HBx 1.0 1.8 3.05 451 375 A 26 GLU H A 26 GLU HGx 1.0 1.8 4.39 452 375 A 26 GLU H A 26 GLU HGy 1.0 1.8 4.39 453 376 A 27 LYS H A 26 GLU HBy 1.0 1.8 3.66 454 376 A 27 LYS H A 26 GLU HBx 1.0 1.8 3.66 455 377 A 27 LYS H A 27 LYS HBy 1.0 1.8 3.41 456 377 A 27 LYS H A 27 LYS HBx 1.0 1.8 3.41 457 378 A 27 LYS H A 27 LYS HGy 1.0 1.8 4.14 458 378 A 27 LYS H A 27 LYS HGx 1.0 1.8 4.14 459 379 A 27 LYS HA A 27 LYS HDy 1.0 1.8 3.80 460 379 A 27 LYS HA A 27 LYS HDx 1.0 1.8 3.80 461 380 A 28 GLU H A 27 LYS HBy 1.0 1.8 3.75 462 380 A 28 GLU H A 27 LYS HBx 1.0 1.8 3.75 463 381 A 27 LYS HBy A 28 GLU HGx 1.0 1.8 4.28 464 381 A 27 LYS HBx A 28 GLU HGx 1.0 1.8 4.28 465 381 A 28 GLU HGy A 27 LYS HBy 1.0 1.8 4.28 466 381 A 27 LYS HBx A 28 GLU HGy 1.0 1.8 4.28 467 382 A 27 LYS HDx A 28 GLU HGx 1.0 1.8 5.18 468 382 A 27 LYS HDy A 28 GLU HGx 1.0 1.8 5.18 469 382 A 28 GLU HGy A 27 LYS HDy 1.0 1.8 5.18 470 382 A 27 LYS HDx A 28 GLU HGy 1.0 1.8 5.18 471 383 A 28 GLU H A 28 GLU HGx 1.0 1.8 4.45 472 383 A 28 GLU H A 28 GLU HGy 1.0 1.8 4.45 473 384 A 30 ALA HB% A 31 LYS HBy 1.0 1.8 5.34 474 384 A 30 ALA HB% A 31 LYS HBx 1.0 1.8 5.34 475 385 A 30 ALA HB% A 31 LYS HGy 1.0 1.8 5.34 476 385 A 30 ALA HB% A 31 LYS HGx 1.0 1.8 5.34 477 386 A 31 LYS H A 31 LYS HBy 1.0 1.8 3.37 478 386 A 31 LYS H A 31 LYS HBx 1.0 1.8 3.37 479 387 A 31 LYS H A 31 LYS HGy 1.0 1.8 4.05 480 387 A 31 LYS H A 31 LYS HGx 1.0 1.8 4.05 481 388 A 31 LYS HBx A 31 LYS HEy 1.0 1.8 4.62 482 388 A 31 LYS HBy A 31 LYS HEy 1.0 1.8 4.62 483 388 A 31 LYS HEx A 31 LYS HBy 1.0 1.8 4.62 484 388 A 31 LYS HBx A 31 LYS HEx 1.0 1.8 4.62 485 389 A 32 TYR H A 31 LYS HBy 1.0 1.8 3.16 486 389 A 32 TYR H A 31 LYS HBx 1.0 1.8 3.16 487 390 A 32 TYR HE% A 31 LYS HBy 1.0 1.8 4.57 488 390 A 32 TYR HE% A 31 LYS HBx 1.0 1.8 4.57 489 391 A 44 TYR HA A 31 LYS HBy 1.0 1.8 4.46 490 391 A 44 TYR HA A 31 LYS HBx 1.0 1.8 4.46 491 392 A 44 TYR HA A 31 LYS HGy 1.0 1.8 4.53 492 392 A 44 TYR HA A 31 LYS HGx 1.0 1.8 4.53 493 393 A 45 HIS H A 31 LYS HGy 1.0 1.8 4.45 494 393 A 45 HIS H A 31 LYS HGx 1.0 1.8 4.45 495 394 A 31 LYS HGy A 45 HIS HBx 1.0 1.8 4.26 496 394 A 31 LYS HGx A 45 HIS HBx 1.0 1.8 4.26 497 394 A 45 HIS HBy A 31 LYS HGy 1.0 1.8 4.26 498 394 A 31 LYS HGx A 45 HIS HBy 1.0 1.8 4.26 499 395 A 32 TYR HD% A 31 LYS HDy 1.0 1.8 4.74 500 395 A 32 TYR HD% A 31 LYS HDx 1.0 1.8 4.74 501 396 A 31 LYS HDy A 45 HIS HBx 1.0 1.8 4.67 502 396 A 31 LYS HDx A 45 HIS HBx 1.0 1.8 4.67 503 396 A 45 HIS HBy A 31 LYS HDy 1.0 1.8 4.67 504 396 A 45 HIS HBy A 31 LYS HDx 1.0 1.8 4.67 505 397 A 32 TYR HD% A 34 SER HBy 1.0 1.8 4.08 506 397 A 32 TYR HD% A 34 SER HBx 1.0 1.8 4.08 507 398 A 32 TYR HE% A 34 SER HBy 1.0 1.8 4.51 508 398 A 32 TYR HE% A 34 SER HBx 1.0 1.8 4.51 509 399 A 34 SER H A 41 TYR HBy 1.0 1.8 4.12 510 399 A 34 SER H A 41 TYR HBx 1.0 1.8 4.12 511 400 A 35 CYS H A 34 SER HBy 1.0 1.8 3.56 512 400 A 35 CYS H A 34 SER HBx 1.0 1.8 3.56 513 401 A 43 TYR HE% A 34 SER HBy 1.0 1.8 3.75 514 401 A 43 TYR HE% A 34 SER HBx 1.0 1.8 3.75 515 402 A 35 CYS H A 35 CYS HBx 1.0 1.8 3.39 516 402 A 35 CYS H A 35 CYS HBy 1.0 1.8 3.39 517 403 A 35 CYS HA A 36 SER HBy 1.0 1.8 4.63 518 403 A 35 CYS HA A 36 SER HBx 1.0 1.8 4.63 519 404 A 36 SER H A 35 CYS HBx 1.0 1.8 4.16 520 404 A 36 SER H A 35 CYS HBy 1.0 1.8 4.16 521 405 A 38 GLY H A 35 CYS HBx 1.0 1.8 4.38 522 405 A 38 GLY H A 35 CYS HBy 1.0 1.8 4.38 523 406 A 35 CYS HBx A 38 GLY HAx 1.0 1.8 4.91 524 406 A 35 CYS HBy A 38 GLY HAx 1.0 1.8 4.91 525 406 A 38 GLY HAy A 35 CYS HBx 1.0 1.8 4.91 526 406 A 38 GLY HAy A 35 CYS HBy 1.0 1.8 4.91 527 407 A 36 SER H A 36 SER HBy 1.0 1.8 3.30 528 407 A 36 SER H A 36 SER HBx 1.0 1.8 3.30 529 408 A 36 SER H A 41 TYR HBy 1.0 1.8 5.34 530 408 A 36 SER H A 41 TYR HBx 1.0 1.8 5.34 531 409 A 41 TYR HD% A 36 SER HBy 1.0 1.8 3.69 532 409 A 41 TYR HD% A 36 SER HBx 1.0 1.8 3.69 533 410 A 37 HIS H A 37 HIS HBx 1.0 1.8 3.49 534 410 A 37 HIS H A 37 HIS HBy 1.0 1.8 3.49 535 411 A 38 GLY H A 37 HIS HBx 1.0 1.8 4.03 536 411 A 38 GLY H A 37 HIS HBy 1.0 1.8 4.03 537 412 A 41 TYR H A 41 TYR HBy 1.0 1.8 3.37 538 412 A 41 TYR H A 41 TYR HBx 1.0 1.8 3.37 539 413 A 42 CYS H A 41 TYR HBy 1.0 1.8 4.14 540 413 A 42 CYS H A 41 TYR HBx 1.0 1.8 4.14 541 414 A 43 TYR HD% A 41 TYR HBy 1.0 1.8 4.05 542 414 A 43 TYR HD% A 41 TYR HBx 1.0 1.8 4.05 543 415 A 43 TYR HE% A 41 TYR HBy 1.0 1.8 3.09 544 415 A 43 TYR HE% A 41 TYR HBx 1.0 1.8 3.09 545 416 A 44 TYR H A 44 TYR HBy 1.0 1.8 3.33 546 416 A 44 TYR H A 44 TYR HBx 1.0 1.8 3.33 547 417 A 45 HIS H A 44 TYR HBy 1.0 1.8 3.07 548 417 A 45 HIS H A 44 TYR HBx 1.0 1.8 3.07 549 418 A 45 HIS H A 45 HIS HBx 1.0 1.8 3.43 550 418 A 45 HIS H A 45 HIS HBy 1.0 1.8 3.43 551 419 A 46 CYS H A 46 CYS HBx 1.0 1.8 3.13 552 419 A 46 CYS H A 46 CYS HBy 1.0 1.8 3.13 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 21 ASN H A 17 HIS O 1.0 0.0 2.0 2 2 A 17 HIS O A 21 ASN N 1.0 0.0 3.0 3 3 A 23 TRP H A 19 LYS O 1.0 0.0 2.0 4 4 A 19 LYS O A 23 TRP N 1.0 0.0 3.0 5 5 A 24 CYS H A 20 CYS O 1.0 0.0 2.0 6 6 A 20 CYS O A 24 CYS N 1.0 0.0 3.0 7 7 A 25 MET H A 21 ASN O 1.0 0.0 2.0 8 8 A 21 ASN O A 25 MET N 1.0 0.0 3.0 9 9 A 28 GLU H A 24 CYS O 1.0 0.0 2.0 10 10 A 24 CYS O A 28 GLU N 1.0 0.0 3.0 11 11 A 31 LYS H A 43 TYR O 1.0 0.0 2.0 12 12 A 43 TYR O A 31 LYS N 1.0 0.0 3.0 13 13 A 34 SER H A 41 TYR O 1.0 0.0 2.0 14 14 A 41 TYR O A 34 SER N 1.0 0.0 3.0 15 15 A 36 SER H A 39 ASP O 1.0 0.0 2.0 16 16 A 39 ASP O A 36 SER N 1.0 0.0 3.0 17 17 A 39 ASP H A 36 SER O 1.0 0.0 2.0 18 18 A 36 SER O A 39 ASP N 1.0 0.0 3.0 19 19 A 41 TYR H A 34 SER O 1.0 0.0 2.0 20 20 A 34 SER O A 41 TYR N 1.0 0.0 3.0 21 21 A 44 TYR H A 4 CYS O 1.0 0.0 2.0 22 22 A 4 CYS O A 44 TYR N 1.0 0.0 3.0 23 23 A 43 TYR H A 32 TYR O 1.0 0.0 2.0 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 ALA C A 2 LYS N A 2 LYS CA A 2 LYS C 1.0 -180.0 -60.0 PHI 2 2 A 2 LYS C A 3 HIS N A 3 HIS CA A 3 HIS C 1.0 -150.0 -70.0 PHI 3 3 A 5 GLY C A 6 LYS N A 6 LYS CA A 6 LYS C 1.0 -140.0 -60.0 PHI 4 4 A 6 LYS N A 6 LYS CA A 6 LYS C A 7 HIS N 1.0 110.0 170.0 PSI 5 5 A 6 LYS C A 7 HIS N A 7 HIS CA A 7 HIS C 1.0 -100.0 -40.0 PHI 6 6 A 7 HIS N A 7 HIS CA A 7 HIS C A 8 SER N 1.0 90.0 170.0 PSI 7 7 A 8 SER C A 9 LYS N A 9 LYS CA A 9 LYS C 1.0 -140.0 -40.0 PHI 8 8 A 9 LYS N A 9 LYS CA A 9 LYS C A 10 SER N 1.0 -60.0 20.0 PSI 9 9 A 13 GLY C A 14 LYS N A 14 LYS CA A 14 LYS C 1.0 -150.0 -50.0 PHI 10 10 A 14 LYS N A 14 LYS CA A 14 LYS C A 15 CYS N 1.0 100.0 180.0 PSI 11 11 A 15 CYS C A 16 PHE N A 16 PHE CA A 17 HIS C 1.0 -180.0 -20.0 . 12 12 A 14 LYS C A 15 CYS N A 15 CYS CA A 15 CYS C 1.0 -140.0 -40.0 PHI 13 13 A 16 PHE C A 17 HIS N A 17 HIS CA A 17 HIS C 1.0 -120.0 -20.0 PHI 14 14 A 17 HIS C A 18 LYS N A 18 LYS CA A 18 LYS C 1.0 -120.0 -20.0 PHI 15 15 A 18 LYS N A 18 LYS CA A 18 LYS C A 19 LYS N 1.0 -70.0 -10.0 PSI 16 16 A 18 LYS C A 19 LYS N A 19 LYS CA A 19 LYS C 1.0 -120.0 -20.0 PHI 17 17 A 19 LYS N A 19 LYS CA A 19 LYS C A 20 CYS N 1.0 -70.0 -10.0 PSI 18 18 A 19 LYS C A 20 CYS N A 20 CYS CA A 20 CYS C 1.0 -100.0 -40.0 PHI 19 19 A 20 CYS N A 20 CYS CA A 20 CYS C A 21 ASN N 1.0 -70.0 -10.0 PSI 20 20 A 20 CYS C A 21 ASN N A 21 ASN CA A 21 ASN C 1.0 -180.0 -20.0 PHI 21 21 A 21 ASN N A 21 ASN CA A 21 ASN C A 22 HIS N 1.0 -70.0 -10.0 PSI 22 22 A 21 ASN C A 22 HIS N A 22 HIS CA A 22 HIS C 1.0 -180.0 -20.0 PHI 23 23 A 22 HIS N A 22 HIS CA A 22 HIS C A 23 TRP N 1.0 -70.0 0.0 PSI 24 24 A 23 TRP C A 24 CYS N A 24 CYS CA A 24 CYS C 1.0 -120.0 -40.0 PHI 25 25 A 24 CYS N A 24 CYS CA A 24 CYS C A 25 MET N 1.0 -60.0 0.0 PSI 26 26 A 24 CYS C A 25 MET N A 25 MET CA A 25 MET C 1.0 -120.0 -40.0 PHI 27 27 A 25 MET N A 25 MET CA A 25 MET C A 26 GLU N 1.0 -70.0 -10.0 PSI 28 28 A 25 MET C A 26 GLU N A 26 GLU CA A 26 GLU C 1.0 -120.0 -20.0 PHI 29 29 A 26 GLU N A 26 GLU CA A 26 GLU C A 27 LYS N 1.0 -70.0 -10.0 PSI 30 30 A 26 GLU C A 27 LYS N A 27 LYS CA A 27 LYS C 1.0 -120.0 -40.0 PHI 31 31 A 27 LYS N A 27 LYS CA A 27 LYS C A 28 GLU N 1.0 -60.0 0.0 PSI 32 32 A 27 LYS C A 28 GLU N A 28 GLU CA A 28 GLU C 1.0 -140.0 -60.0 PHI 33 33 A 28 GLU C A 29 ASP N A 29 ASP CA A 29 ASP C 1.0 30.0 90.0 PHI 34 34 A 29 ASP C A 30 ALA N A 30 ALA CA A 30 ALA C 1.0 -140.0 -40.0 PHI 35 35 A 30 ALA N A 30 ALA CA A 30 ALA C A 31 LYS N 1.0 120.0 180.0 PSI 36 36 A 30 ALA C A 31 LYS N A 31 LYS CA A 31 LYS C 1.0 -100.0 -40.0 PHI 37 37 A 31 LYS N A 31 LYS CA A 31 LYS C A 32 TYR N 1.0 -70.0 -10.0 PSI 38 38 A 33 GLY C A 34 SER N A 34 SER CA A 34 SER C 1.0 -160.0 -80.0 PHI 39 39 A 34 SER C A 35 CYS N A 35 CYS CA A 35 CYS C 1.0 -160.0 -60.0 PHI 40 40 A 35 CYS N A 35 CYS CA A 35 CYS C A 36 SER N 1.0 100.0 160.0 PSI 41 41 A 35 CYS C A 36 SER N A 36 SER CA A 36 SER C 1.0 -180.0 -80.0 PHI 42 42 A 36 SER C A 37 HIS N A 37 HIS CA A 37 HIS C 1.0 30.0 90.0 PHI 43 43 A 37 HIS C A 38 GLY N A 38 GLY CA A 38 GLY C 1.0 40.0 120.0 PHI 44 44 A 38 GLY C A 39 ASP N A 39 ASP CA A 39 ASP C 1.0 -160.0 -80.0 PHI 45 45 A 39 ASP N A 39 ASP CA A 39 ASP C A 40 CYS N 1.0 110.0 170.0 PSI 46 46 A 39 ASP C A 40 CYS N A 40 CYS CA A 40 CYS C 1.0 -110.0 -50.0 PHI 47 47 A 40 CYS N A 40 CYS CA A 40 CYS C A 41 TYR N 1.0 100.0 160.0 PSI 48 48 A 40 CYS C A 41 TYR N A 41 TYR CA A 41 TYR C 1.0 -160.0 -80.0 PHI 49 49 A 41 TYR N A 41 TYR CA A 41 TYR C A 42 CYS N 1.0 100.0 180.0 PSI 50 50 A 41 TYR C A 42 CYS N A 42 CYS CA A 42 CYS C 1.0 -140.0 -70.0 PHI 51 51 A 42 CYS N A 42 CYS CA A 42 CYS C A 43 TYR N 1.0 100.0 160.0 PSI 52 52 A 42 CYS C A 43 TYR N A 43 TYR CA A 43 TYR C 1.0 -130.0 -70.0 PHI 53 53 A 43 TYR N A 43 TYR CA A 43 TYR C A 44 TYR N 1.0 110.0 170.0 PSI 54 54 A 43 TYR C A 44 TYR N A 44 TYR CA A 44 TYR C 1.0 -160.0 -100.0 PHI 55 55 A 44 TYR C A 45 HIS N A 45 HIS CA A 45 HIS C 1.0 -180.0 -20.0 PHI 56 56 A 15 CYS N A 15 CYS CA A 15 CYS CB A 15 CYS SG 1.0 150.0 210.0 CHI1 57 57 A 16 PHE N A 16 PHE CA A 16 PHE CB A 16 PHE CG 1.0 -90.0 -30.0 CHI1 58 58 A 23 TRP N A 23 TRP CA A 23 TRP CB A 23 TRP CG 1.0 150.0 210.0 CHI1 59 59 A 25 MET N A 25 MET CA A 25 MET CB A 25 MET CG 1.0 150.0 210.0 CHI1 60 60 A 27 LYS N A 27 LYS CA A 27 LYS CB A 27 LYS CG 1.0 -210.0 -30.0 CHI1 61 61 A 28 GLU N A 28 GLU CA A 28 GLU CB A 28 GLU CG 1.0 -90.0 -30.0 CHI1 62 62 A 31 LYS N A 31 LYS CA A 31 LYS CB A 31 LYS CG 1.0 -210.0 -30.0 CHI1 63 63 A 35 CYS N A 35 CYS CA A 35 CYS CB A 35 CYS SG 1.0 -210.0 -30.0 CHI1 64 64 A 39 ASP N A 39 ASP CA A 39 ASP CB A 39 ASP CG 1.0 -90.0 -30.0 CHI1 65 65 A 42 CYS N A 42 CYS CA A 42 CYS CB A 42 CYS SG 1.0 -90.0 -30.0 CHI1 66 66 A 43 TYR N A 43 TYR CA A 43 TYR CB A 43 TYR CG 1.0 -90.0 -30.0 CHI1 67 67 A 44 TYR N A 44 TYR CA A 44 TYR CB A 44 TYR CG 1.0 -90.0 -30.0 CHI1 68 68 A 46 CYS N A 46 CYS CA A 46 CYS CB A 46 CYS SG 1.0 -90.0 -30.0 CHI1 stop_ save_