data_nef_c30748_6wqj 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 6WQJ 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 7 CYS SG 1 29 CYS SG 1 11 CYS SG 1 25 CYS SG 1 1 PCA C 1 2 LYS N stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 PCA start -OXT . 2 A 2 LYS middle -H2 . 3 A 3 GLU middle . . 4 A 4 THR middle . . 5 A 5 GLU middle . . 6 A 6 ILE middle . . 7 A 7 CYS middle -HG . 8 A 8 ARG middle . . 9 A 9 GLN middle . . 10 A 10 TRP middle . . 11 A 11 CYS middle -HG . 12 A 12 GLN middle . . 13 A 13 VAL middle . . 14 A 14 MET middle . . 15 A 15 LYS middle . . 16 A 16 PRO middle . false 17 A 17 GLN middle . . 18 A 18 GLY middle . false 19 A 19 GLY middle . false 20 A 20 GLU middle . . 21 A 21 GLU middle . . 22 A 22 GLN middle . . 23 A 23 ARG middle . . 24 A 24 ARG middle . . 25 A 25 CYS middle -HG . 26 A 26 GLN middle . . 27 A 27 GLN middle . . 28 A 28 GLU middle . . 29 A 29 CYS middle -HG . 30 A 30 GLU middle . . 31 A 31 GLU middle . . 32 A 32 ARG middle . . 33 A 33 LEU middle . . 34 A 34 ARG middle . . 35 A 35 ASP end . . 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 PCA H H 1 7.992 0.003 A 1 PCA HA H 1 4.452 0.000 A 1 PCA HBx H 1 2.114 0.009 A 1 PCA HBy H 1 2.114 0.009 A 1 PCA HGy H 1 2.571 0.000 A 1 PCA HGx H 1 2.438 0.001 A 1 PCA CA C 13 59.366 0.000 A 2 LYS H H 1 8.628 0.000 A 2 LYS HA H 1 4.294 0.001 A 2 LYS HBy H 1 1.889 0.009 A 2 LYS HBx H 1 1.846 0.008 A 2 LYS HGy H 1 1.478 0.010 A 2 LYS HGx H 1 1.432 0.000 A 2 LYS CA C 13 56.082 0.000 A 2 LYS CB C 13 32.552 0.000 A 2 LYS CG C 13 24.775 0.000 A 3 GLU H H 1 9.010 0.004 A 3 GLU HA H 1 4.175 0.004 A 3 GLU HBy H 1 2.096 0.006 A 3 GLU HBx H 1 2.055 0.005 A 3 GLU HGx H 1 2.424 0.008 A 3 GLU HGy H 1 2.424 0.008 A 3 GLU CA C 13 57.579 0.000 A 3 GLU CB C 13 27.993 0.000 A 3 GLU CG C 13 33.918 0.000 A 4 THR H H 1 7.913 0.001 A 4 THR HA H 1 3.998 0.000 A 4 THR HB H 1 4.167 0.000 A 4 THR HG2% H 1 1.204 0.000 A 4 THR CA C 13 64.427 0.000 A 4 THR CB C 13 45.219 23.538 A 5 GLU H H 1 7.990 0.000 A 5 GLU HA H 1 4.217 0.000 A 5 GLU HBx H 1 2.123 0.003 A 5 GLU HBy H 1 2.123 0.003 A 5 GLU HGx H 1 2.399 0.008 A 5 GLU HGy H 1 2.399 0.008 A 5 GLU CA C 13 56.702 0.000 A 5 GLU CB C 13 29.293 0.000 A 5 GLU CG C 13 33.726 0.000 A 6 ILE H H 1 8.041 0.001 A 6 ILE HA H 1 3.853 0.000 A 6 ILE HB H 1 1.798 0.000 A 6 ILE HD1% H 1 0.813 0.004 A 6 ILE HG1y H 1 1.571 0.000 A 6 ILE HG1x H 1 1.141 0.000 A 6 ILE HG2% H 1 0.793 0.015 A 6 ILE CA C 13 64.106 0.000 A 6 ILE CB C 13 37.914 0.000 A 7 CYS H H 1 8.101 0.000 A 7 CYS HA H 1 4.708 0.000 A 7 CYS HBy H 1 3.166 0.006 A 7 CYS HBx H 1 2.949 0.000 A 7 CYS CA C 13 52.862 0.000 A 7 CYS CB C 13 41.698 0.000 A 8 ARG H H 1 8.399 0.003 A 8 ARG HA H 1 3.975 0.000 A 8 ARG HBx H 1 1.948 0.000 A 8 ARG HBy H 1 1.948 0.000 A 8 ARG HDy H 1 3.242 0.000 A 8 ARG HDx H 1 3.178 0.006 A 8 ARG HE H 1 7.485 0.003 A 8 ARG HGy H 1 1.692 0.001 A 8 ARG HGx H 1 1.493 0.000 A 8 ARG CA C 13 58.422 0.000 A 8 ARG CB C 13 29.711 0.000 A 8 ARG CG C 13 27.198 0.000 A 9 GLN H H 1 8.011 0.000 A 9 GLN HA H 1 4.071 0.006 A 9 GLN HBx H 1 2.213 0.014 A 9 GLN HBy H 1 2.213 0.014 A 9 GLN HE2y H 1 7.407 0.000 A 9 GLN HE2x H 1 6.797 0.002 A 9 GLN HGy H 1 2.549 0.010 A 9 GLN HGx H 1 2.420 0.002 A 9 GLN CA C 13 58.732 0.000 A 9 GLN CB C 13 28.435 0.000 A 9 GLN CG C 13 33.163 0.000 A 10 TRP H H 1 8.517 0.000 A 10 TRP HA H 1 4.354 0.000 A 10 TRP HBy H 1 3.487 0.000 A 10 TRP HBx H 1 3.431 0.000 A 10 TRP HD1 H 1 7.269 0.001 A 10 TRP HE3 H 1 7.664 0.000 A 10 TRP CA C 13 56.117 0.000 A 10 TRP CB C 13 29.521 0.000 A 11 CYS H H 1 8.632 0.002 A 11 CYS HA H 1 4.247 0.007 A 11 CYS HBy H 1 3.276 0.000 A 11 CYS HBx H 1 2.981 0.000 A 11 CYS CA C 13 55.515 0.000 A 11 CYS CB C 13 41.736 0.000 A 12 GLN H H 1 8.044 0.001 A 12 GLN HA H 1 4.030 0.002 A 12 GLN HBy H 1 2.258 0.003 A 12 GLN HBx H 1 2.113 0.007 A 12 GLN HGy H 1 2.461 0.001 A 12 GLN HGx H 1 2.373 0.004 A 12 GLN CA C 13 58.388 0.000 A 12 GLN CB C 13 28.058 0.000 A 12 GLN CG C 13 34.579 0.000 A 13 VAL H H 1 7.249 0.000 A 13 VAL HA H 1 3.877 0.000 A 13 VAL HB H 1 2.028 0.000 A 13 VAL HGy% H 1 0.827 0.000 A 13 VAL CA C 13 64.003 0.000 A 13 VAL CB C 13 32.053 0.000 A 14 MET H H 1 7.909 0.000 A 14 MET HA H 1 4.254 0.000 A 14 MET HBy H 1 1.627 0.003 A 14 MET HBx H 1 1.593 0.000 A 14 MET HGx H 1 2.268 0.000 A 14 MET HGy H 1 2.268 0.000 A 14 MET CA C 13 58.762 0.000 A 14 MET CG C 13 34.824 0.000 A 15 LYS H H 1 7.882 0.000 A 15 LYS HA H 1 4.883 0.000 A 15 LYS HBy H 1 1.908 0.004 A 15 LYS HBx H 1 1.490 0.000 A 15 LYS HGy H 1 1.329 0.000 A 15 LYS HGx H 1 1.218 0.000 A 15 LYS CA C 13 52.466 0.000 A 15 LYS CB C 13 31.621 0.000 A 15 LYS CG C 13 24.168 0.000 A 16 PRO HA H 1 4.448 0.000 A 16 PRO HBy H 1 2.338 0.000 A 16 PRO HBx H 1 1.941 0.000 A 16 PRO HDy H 1 3.597 0.000 A 16 PRO HDx H 1 3.487 0.000 A 16 PRO HGx H 1 1.991 0.000 A 16 PRO HGy H 1 1.991 0.000 A 16 PRO CA C 13 63.840 0.000 A 16 PRO CB C 13 31.793 0.000 A 16 PRO CG C 13 27.167 0.000 A 17 GLN H H 1 9.086 0.000 A 17 GLN HA H 1 4.264 0.000 A 17 GLN HBx H 1 2.085 0.000 A 17 GLN HBy H 1 2.085 0.000 A 17 GLN HE2y H 1 7.596 0.000 A 17 GLN HE2x H 1 6.889 0.005 A 17 GLN HGy H 1 2.476 0.000 A 17 GLN HGx H 1 2.412 0.000 A 17 GLN CA C 13 55.377 0.000 A 17 GLN CB C 13 27.130 0.000 A 17 GLN CG C 13 31.989 0.000 A 18 GLY H H 1 7.946 0.007 A 18 GLY HAy H 1 4.161 0.000 A 18 GLY HAx H 1 3.784 0.000 A 18 GLY CA C 13 45.085 0.000 A 19 GLY H H 1 8.574 0.000 A 19 GLY HAy H 1 4.102 0.008 A 19 GLY HAx H 1 3.900 0.000 A 19 GLY CA C 13 45.749 0.000 A 20 GLU H H 1 8.887 0.000 A 20 GLU HA H 1 4.114 0.000 A 20 GLU HBy H 1 2.122 0.000 A 20 GLU HBx H 1 2.052 0.000 A 20 GLU HGx H 1 2.411 0.003 A 20 GLU HGy H 1 2.411 0.003 A 20 GLU CA C 13 58.268 0.000 A 20 GLU CB C 13 28.405 0.000 A 20 GLU CG C 13 33.709 0.000 A 21 GLU H H 1 8.915 0.000 A 21 GLU HA H 1 4.060 0.006 A 21 GLU HBy H 1 2.100 0.003 A 21 GLU HBx H 1 1.970 0.000 A 21 GLU HGy H 1 2.459 0.000 A 21 GLU HGx H 1 2.404 0.008 A 21 GLU CA C 13 58.440 0.000 A 21 GLU CB C 13 27.938 0.000 A 22 GLN H H 1 8.106 0.000 A 22 GLN HA H 1 4.055 0.005 A 22 GLN HBx H 1 2.126 0.014 A 22 GLN HBy H 1 2.126 0.014 A 22 GLN HGx H 1 2.219 0.007 A 22 GLN HGy H 1 2.219 0.007 A 22 GLN CA C 13 58.526 0.000 A 22 GLN CG C 13 34.077 0.000 A 23 ARG H H 1 7.962 0.000 A 23 ARG HA H 1 4.075 0.000 A 23 ARG HBx H 1 1.911 0.007 A 23 ARG HBy H 1 1.911 0.007 A 23 ARG HDx H 1 3.232 0.009 A 23 ARG HDy H 1 3.232 0.009 A 23 ARG HE H 1 7.451 0.001 A 23 ARG HGy H 1 1.750 0.008 A 23 ARG HGx H 1 1.586 0.000 A 23 ARG CA C 13 58.853 0.000 A 23 ARG CB C 13 29.699 0.000 A 23 ARG CG C 13 27.319 0.000 A 24 ARG H H 1 8.484 0.007 A 24 ARG HA H 1 4.128 0.004 A 24 ARG HBx H 1 1.902 0.001 A 24 ARG HBy H 1 1.902 0.001 A 24 ARG HDx H 1 3.215 0.005 A 24 ARG HDy H 1 3.215 0.005 A 24 ARG HE H 1 7.399 0.000 A 24 ARG HGy H 1 1.761 0.005 A 24 ARG HGx H 1 1.632 0.002 A 24 ARG CA C 13 57.614 0.000 A 24 ARG CB C 13 28.443 0.000 A 24 ARG CG C 13 27.095 0.000 A 25 CYS H H 1 7.769 0.001 A 25 CYS HA H 1 4.299 0.003 A 25 CYS HBy H 1 3.605 0.000 A 25 CYS HBx H 1 3.129 0.000 A 25 CYS CA C 13 56.375 0.000 A 25 CYS CB C 13 43.157 0.000 A 26 GLN H H 1 8.384 0.003 A 26 GLN HA H 1 3.744 0.000 A 26 GLN HBy H 1 2.282 0.003 A 26 GLN HBx H 1 2.175 0.005 A 26 GLN HE2x H 1 7.773 0.000 A 26 GLN HGx H 1 2.417 0.002 A 26 GLN CB C 13 28.125 0.000 A 27 GLN H H 1 8.069 0.001 A 27 GLN HA H 1 4.071 0.006 A 27 GLN HBy H 1 2.236 0.000 A 27 GLN HBx H 1 2.155 0.006 A 27 GLN HE2y H 1 7.478 0.009 A 27 GLN HE2x H 1 6.797 0.000 A 27 GLN HGy H 1 2.532 0.000 A 27 GLN HGx H 1 2.396 0.003 A 27 GLN CA C 13 58.546 0.000 A 27 GLN CB C 13 28.283 0.000 A 27 GLN CG C 13 34.289 0.000 A 28 GLU H H 1 8.312 0.000 A 28 GLU HA H 1 4.055 0.003 A 28 GLU HBy H 1 2.227 0.000 A 28 GLU HBx H 1 2.109 0.006 A 28 GLU HGy H 1 2.602 0.006 A 28 GLU HGx H 1 2.409 0.007 A 28 GLU CA C 13 58.698 0.000 A 28 GLU CB C 13 28.228 0.000 A 28 GLU CG C 13 33.189 0.000 A 29 CYS H H 1 8.470 0.008 A 29 CYS HA H 1 4.120 0.000 A 29 CYS HBy H 1 3.327 0.000 A 29 CYS HBx H 1 3.153 0.000 A 29 CYS CA C 13 58.509 0.000 A 29 CYS CB C 13 43.119 0.000 A 30 GLU H H 1 8.389 0.002 A 30 GLU HA H 1 3.848 0.000 A 30 GLU HBy H 1 2.171 0.000 A 30 GLU HBx H 1 2.094 0.000 A 30 GLU HGy H 1 2.690 0.000 A 30 GLU HGx H 1 2.235 0.000 A 30 GLU CB C 13 27.752 0.000 A 30 GLU CG C 13 34.242 0.000 A 31 GLU H H 1 7.799 0.000 A 31 GLU HA H 1 4.094 0.000 A 31 GLU HBx H 1 2.179 0.000 A 31 GLU HBy H 1 2.179 0.000 A 31 GLU HGy H 1 2.596 0.000 A 31 GLU HGx H 1 2.490 0.000 A 31 GLU CA C 13 58.801 0.000 A 31 GLU CB C 13 28.070 0.000 A 31 GLU CG C 13 33.696 0.000 A 32 ARG H H 1 7.690 0.006 A 32 ARG HA H 1 4.195 0.000 A 32 ARG HBx H 1 1.901 0.000 A 32 ARG HBy H 1 1.901 0.000 A 32 ARG HDx H 1 3.169 0.000 A 32 ARG HDy H 1 3.169 0.000 A 32 ARG HE H 1 7.184 0.000 A 32 ARG HGy H 1 1.733 0.000 A 32 ARG HGx H 1 1.637 0.004 A 32 ARG CA C 13 57.545 0.000 A 32 ARG CB C 13 28.546 0.000 A 32 ARG CG C 13 27.233 0.000 A 33 LEU H H 1 7.772 0.000 A 33 LEU HA H 1 4.255 0.000 A 33 LEU HBy H 1 1.681 0.004 A 33 LEU HBx H 1 1.547 0.000 A 33 LEU HDx% H 1 0.818 0.000 A 33 LEU HDy% H 1 0.762 0.000 A 33 LEU CA C 13 56.220 0.000 A 34 ARG H H 1 7.699 0.000 A 34 ARG HA H 1 4.295 0.000 A 34 ARG HBy H 1 1.910 0.007 A 34 ARG HBx H 1 1.836 0.000 A 34 ARG HDx H 1 3.193 0.000 A 34 ARG HDy H 1 3.193 0.000 A 34 ARG HE H 1 7.222 0.003 A 34 ARG HGy H 1 1.689 0.000 A 34 ARG HGx H 1 1.647 0.000 A 34 ARG CA C 13 57.321 0.000 A 34 ARG CB C 13 30.416 0.000 A 34 ARG CG C 13 26.872 0.000 A 35 ASP H H 1 7.917 0.001 A 35 ASP HA H 1 4.560 0.000 A 35 ASP HBy H 1 2.862 0.000 A 35 ASP HBx H 1 2.796 0.000 A 35 ASP CA C 13 52.862 0.000 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 3 GLU HA A 4 THR H 1.0 1.8 3.27 2 2 A 4 THR H A 4 THR HG2% 1.0 1.8 3.73 3 3 A 4 THR HG2% A 5 GLU H 1.0 1.8 4.70 4 4 A 5 GLU H A 4 THR HB 1.0 1.8 3.87 5 5 A 4 THR HB A 4 THR HA 1.0 1.8 2.92 6 6 A 4 THR HG2% A 4 THR HA 1.0 1.8 3.28 7 7 A 5 GLU H A 5 GLU HGx 1.0 1.8 3.95 8 7 A 5 GLU H A 5 GLU HGy 1.0 1.8 3.95 9 8 A 5 GLU H A 5 GLU HBx 1.0 1.8 3.09 10 8 A 5 GLU H A 5 GLU HBy 1.0 1.8 3.09 11 9 A 5 GLU HA A 5 GLU HGx 1.0 1.8 3.87 12 9 A 5 GLU HGy A 5 GLU HA 1.0 1.8 3.87 13 10 A 34 ARG HA A 34 ARG HDx 1.0 1.8 4.31 14 10 A 34 ARG HA A 34 ARG HDy 1.0 1.8 4.31 15 11 A 2 LYS HA A 2 LYS HDx 1.0 1.8 4.79 16 11 A 2 LYS HA A 2 LYS HDy 1.0 1.8 4.79 17 12 A 35 ASP H A 34 ARG HBx 1.0 1.8 4.59 18 13 A 34 ARG HA A 35 ASP H 1.0 1.8 3.41 19 14 A 18 GLY HAx A 19 GLY H 1.0 1.8 3.40 20 15 A 19 GLY H A 18 GLY HAy 1.0 1.8 3.40 21 16 A 7 CYS HA A 10 TRP H 1.0 1.8 4.32 22 17 A 6 ILE HG2% A 6 ILE HG1x 1.0 1.8 4.22 23 18 A 6 ILE H A 6 ILE HD1% 1.0 1.8 4.37 24 19 A 6 ILE HD1% A 7 CYS H 1.0 1.8 3.97 25 20 A 7 CYS H A 6 ILE HB 1.0 1.8 4.16 26 21 A 6 ILE H A 6 ILE HB 1.0 1.8 3.76 27 22 A 6 ILE HG2% A 6 ILE H 1.0 1.8 4.31 28 23 A 6 ILE H A 6 ILE HG1y 1.0 1.8 4.21 29 24 A 8 ARG H A 8 ARG HBx 1.0 1.8 3.13 30 24 A 8 ARG H A 8 ARG HBy 1.0 1.8 3.13 31 25 A 8 ARG H A 7 CYS HBx 1.0 1.8 4.39 32 26 A 5 GLU HA A 8 ARG H 1.0 1.8 5.11 33 27 A 33 LEU H A 33 LEU HDy% 1.0 1.8 5.16 34 28 A 33 LEU H A 33 LEU HDx% 1.0 1.8 5.16 35 29 A 33 LEU H A 33 LEU HBx 1.0 1.8 3.78 36 30 A 33 LEU H A 33 LEU HBy 1.0 1.8 3.78 37 31 A 33 LEU HA A 33 LEU HDx% 1.0 1.8 4.33 38 32 A 33 LEU HA A 33 LEU HDy% 1.0 1.8 4.33 39 33 A 33 LEU HBy A 33 LEU HDx% 1.0 1.8 4.06 40 34 A 33 LEU HBy A 33 LEU HDy% 1.0 1.8 4.06 41 35 A 33 LEU HDx% A 33 LEU HBx 1.0 1.8 4.06 42 36 A 33 LEU HBx A 33 LEU HDy% 1.0 1.8 4.06 43 37 A 6 ILE HG2% A 6 ILE HD1% 1.0 1.8 3.74 44 38 A 10 TRP H A 10 TRP HBy 1.0 1.8 3.53 45 39 A 10 TRP H A 10 TRP HBx 1.0 1.8 3.53 46 40 A 11 CYS H A 10 TRP HBx 1.0 1.8 4.01 47 41 A 11 CYS H A 10 TRP HBy 1.0 1.8 4.01 48 42 A 11 CYS H A 11 CYS HBy 1.0 1.8 4.01 49 43 A 11 CYS H A 11 CYS HBx 1.0 1.8 4.01 50 44 A 10 TRP HA A 10 TRP HE3 1.0 1.8 4.48 51 45 A 10 TRP HA A 10 TRP HD1 1.0 1.8 4.02 52 46 A 12 GLN H A 11 CYS HBy 1.0 1.8 5.17 53 47 A 11 CYS H A 12 GLN H 1.0 1.8 4.99 54 48 A 12 GLN H A 12 GLN HGx 1.0 1.8 5.32 55 49 A 6 ILE H A 5 GLU HBx 1.0 1.8 3.33 56 49 A 5 GLU HBy A 6 ILE H 1.0 1.8 3.33 57 50 A 12 GLN H A 13 VAL H 1.0 1.8 5.01 58 51 A 13 VAL H A 13 VAL HG11 1.0 1.8 4.98 59 52 A 13 VAL H A 13 VAL HGy% 1.0 1.8 4.98 60 53 A 13 VAL H A 13 VAL HB 1.0 1.8 3.92 61 54 A 13 VAL HA A 13 VAL HG11 1.0 1.8 3.70 62 55 A 13 VAL HA A 13 VAL HGy% 1.0 1.8 3.70 63 56 A 17 GLN H A 17 GLN HBx 1.0 1.8 3.53 64 56 A 17 GLN H A 17 GLN HBy 1.0 1.8 3.53 65 57 A 18 GLY H A 17 GLN HBx 1.0 1.8 5.29 66 57 A 17 GLN HBy A 18 GLY H 1.0 1.8 5.29 67 58 A 17 GLN H A 18 GLY H 1.0 1.8 4.44 68 59 A 4 THR H A 3 GLU H 1.0 1.8 3.90 69 60 A 3 GLU H A 3 GLU HGx 1.0 1.8 3.95 70 60 A 3 GLU H A 3 GLU HGy 1.0 1.8 3.95 71 61 A 3 GLU HA A 3 GLU HGx 1.0 1.8 3.76 72 61 A 3 GLU HA A 3 GLU HGy 1.0 1.8 3.76 73 62 A 4 THR H A 3 GLU HGx 1.0 1.8 4.15 74 62 A 4 THR H A 3 GLU HGy 1.0 1.8 4.15 75 63 A 2 LYS H A 2 LYS HBy 1.0 1.8 3.54 76 64 A 2 LYS H A 2 LYS HBx 1.0 1.8 3.54 77 65 A 2 LYS HA A 3 GLU H 1.0 1.8 3.51 78 66 A 2 LYS H A 1 PCA HA 1.0 1.8 3.46 79 67 A 7 CYS H A 8 ARG H 1.0 1.8 4.14 80 68 A 9 GLN H A 9 GLN HBx 1.0 1.8 3.38 81 68 A 9 GLN H A 9 GLN HBy 1.0 1.8 3.38 82 69 A 9 GLN H A 8 ARG HBx 1.0 1.8 3.69 83 69 A 8 ARG HBy A 9 GLN H 1.0 1.8 3.69 84 70 A 10 TRP H A 9 GLN H 1.0 1.8 4.60 85 71 A 8 ARG H A 9 GLN H 1.0 1.8 4.51 86 72 A 10 TRP H A 9 GLN HBx 1.0 1.8 3.35 87 72 A 10 TRP H A 9 GLN HBy 1.0 1.8 3.35 88 73 A 15 LYS H A 15 LYS HGy 1.0 1.8 5.50 89 74 A 15 LYS H A 15 LYS HGx 1.0 1.8 5.50 90 75 A 20 GLU H A 20 GLU HGx 1.0 1.8 4.70 91 75 A 20 GLU H A 20 GLU HGy 1.0 1.8 4.70 92 76 A 32 ARG H A 32 ARG HGy 1.0 1.8 5.04 93 77 A 32 ARG H A 32 ARG HGx 1.0 1.8 5.04 94 78 A 32 ARG HA A 32 ARG HDx 1.0 1.8 4.46 95 78 A 32 ARG HA A 32 ARG HDy 1.0 1.8 4.46 96 79 A 25 CYS H A 24 ARG HBx 1.0 1.8 3.18 97 79 A 24 ARG HBy A 25 CYS H 1.0 1.8 3.18 98 80 A 31 GLU H A 31 GLU HGx 1.0 1.8 4.76 99 81 A 31 GLU H A 31 GLU HGy 1.0 1.8 4.76 100 82 A 31 GLU H A 31 GLU HBx 1.0 1.8 3.23 101 82 A 31 GLU H A 31 GLU HBy 1.0 1.8 3.23 102 83 A 32 ARG H A 31 GLU HBx 1.0 1.8 4.24 103 83 A 32 ARG H A 31 GLU HBy 1.0 1.8 4.24 104 84 A 31 GLU H A 30 GLU H 1.0 1.8 4.16 105 85 A 29 CYS H A 29 CYS HBy 1.0 1.8 3.70 106 86 A 29 CYS H A 29 CYS HBx 1.0 1.8 3.70 107 87 A 8 ARG H A 7 CYS HBy 1.0 1.8 4.39 108 88 A 24 ARG HA A 26 GLN H 1.0 1.8 4.68 109 89 A 23 ARG H A 23 ARG HBx 1.0 1.8 3.05 110 89 A 23 ARG H A 23 ARG HBy 1.0 1.8 3.05 111 90 A 23 ARG H A 23 ARG HGy 1.0 1.8 4.71 112 91 A 23 ARG H A 23 ARG HGx 1.0 1.8 4.71 113 92 A 24 ARG H A 23 ARG HBx 1.0 1.8 2.91 114 92 A 23 ARG HBy A 24 ARG H 1.0 1.8 2.91 115 93 A 24 ARG HA A 24 ARG HDx 1.0 1.8 4.40 116 93 A 24 ARG HA A 24 ARG HDy 1.0 1.8 4.40 117 94 A 23 ARG HBy A 23 ARG HDx 1.0 1.8 3.94 118 94 A 23 ARG HBx A 23 ARG HDx 1.0 1.8 3.94 119 94 A 23 ARG HDy A 23 ARG HBx 1.0 1.8 3.94 120 94 A 23 ARG HBy A 23 ARG HDy 1.0 1.8 3.94 121 95 A 23 ARG H A 24 ARG H 1.0 1.8 3.75 122 96 A 25 CYS H A 24 ARG H 1.0 1.8 5.50 123 97 A 25 CYS H A 25 CYS HBx 1.0 1.8 3.94 124 98 A 25 CYS H A 25 CYS HBy 1.0 1.8 3.94 125 99 A 25 CYS H A 26 GLN H 1.0 1.8 4.17 126 100 A 26 GLN H A 27 GLN H 1.0 1.8 4.76 127 101 A 26 GLN H A 26 GLN HBy 1.0 1.8 3.85 128 102 A 26 GLN H A 26 GLN HBx 1.0 1.8 3.85 129 103 A 27 GLN H A 27 GLN HGy 1.0 1.8 5.50 130 104 A 27 GLN H A 28 GLU H 1.0 1.8 4.26 131 105 A 28 GLU H A 28 GLU HBy 1.0 1.8 3.83 132 106 A 28 GLU H A 28 GLU HBx 1.0 1.8 3.83 133 107 A 29 CYS H A 28 GLU HBx 1.0 1.8 4.48 134 108 A 29 CYS H A 28 GLU HBy 1.0 1.8 4.48 135 109 A 21 GLU H A 21 GLU HBy 1.0 1.8 4.13 136 110 A 21 GLU H A 20 GLU HGx 1.0 1.8 4.27 137 110 A 20 GLU HGy A 21 GLU H 1.0 1.8 4.27 138 111 A 22 GLN H A 22 GLN HGx 1.0 1.8 5.50 139 111 A 22 GLN H A 22 GLN HGy 1.0 1.8 5.50 140 112 A 22 GLN HA A 22 GLN HGx 1.0 1.8 3.98 141 112 A 22 GLN HGy A 22 GLN HA 1.0 1.8 3.98 142 113 A 23 ARG H A 22 GLN HBx 1.0 1.8 3.70 143 113 A 23 ARG H A 22 GLN HBy 1.0 1.8 3.70 144 114 A 8 ARG HE A 8 ARG HBx 1.0 1.8 4.26 145 114 A 8 ARG HBy A 8 ARG HE 1.0 1.8 4.26 146 115 A 23 ARG HE A 23 ARG HBx 1.0 1.8 3.99 147 115 A 23 ARG HBy A 23 ARG HE 1.0 1.8 3.99 148 116 A 24 ARG HE A 24 ARG HBx 1.0 1.8 4.32 149 116 A 24 ARG HBy A 24 ARG HE 1.0 1.8 4.32 150 117 A 32 ARG HE A 32 ARG HBx 1.0 1.8 4.64 151 117 A 32 ARG HBy A 32 ARG HE 1.0 1.8 4.64 152 118 A 32 ARG H A 32 ARG HBx 1.0 1.8 4.09 153 118 A 32 ARG H A 32 ARG HBy 1.0 1.8 4.09 154 119 A 15 LYS HA A 16 PRO HDy 1.0 1.8 3.63 155 120 A 15 LYS HA A 16 PRO HDx 1.0 1.8 3.63 156 121 A 7 CYS HA A 10 TRP HBy 1.0 1.8 4.03 157 122 A 7 CYS HA A 10 TRP HBx 1.0 1.8 4.03 158 123 A 14 MET H A 14 MET HGx 1.0 1.8 4.08 159 123 A 14 MET H A 14 MET HGy 1.0 1.8 4.08 160 124 A 11 CYS HA A 14 MET HBy 1.0 1.8 5.50 161 125 A 11 CYS HA A 14 MET HBx 1.0 1.8 5.50 162 126 A 14 MET H A 13 VAL HGy% 1.0 1.8 5.50 163 127 A 15 LYS HA A 15 LYS HDx 1.0 1.8 4.46 164 127 A 15 LYS HA A 15 LYS HDy 1.0 1.8 4.46 165 128 A 13 VAL H A 14 MET H 1.0 1.8 4.43 166 129 A 21 GLU H A 21 GLU HBx 1.0 1.8 4.13 167 130 A 21 GLU H A 20 GLU HBx 1.0 1.8 5.37 168 131 A 23 ARG H A 22 GLN HGx 1.0 1.8 5.50 169 131 A 23 ARG H A 22 GLN HGy 1.0 1.8 5.50 170 132 A 12 GLN H A 11 CYS HBx 1.0 1.8 5.17 171 133 A 17 GLN H A 17 GLN HGy 1.0 1.8 5.50 172 134 A 17 GLN H A 17 GLN HGx 1.0 1.8 5.50 173 135 A 17 GLN HE2y A 17 GLN HBx 1.0 1.8 5.38 174 135 A 17 GLN HBy A 17 GLN HE2y 1.0 1.8 5.38 175 136 A 2 LYS H A 2 LYS HDx 1.0 1.8 5.50 176 136 A 2 LYS HDy A 2 LYS H 1.0 1.8 5.50 177 137 A 6 ILE HG2% A 6 ILE HA 1.0 1.8 3.57 178 138 A 6 ILE HG2% A 6 ILE HG1y 1.0 1.8 4.22 179 139 A 6 ILE H A 6 ILE HG1x 1.0 1.8 4.21 180 140 A 6 ILE HG2% A 10 TRP HD1 1.0 1.8 4.78 181 141 A 11 CYS H A 8 ARG HA 1.0 1.8 5.50 182 142 A 14 MET H A 13 VAL HG11 1.0 1.8 5.50 183 143 A 8 ARG HE A 12 GLN HA 1.0 1.8 3.76 184 144 A 21 GLU H A 20 GLU HBy 1.0 1.8 5.37 185 145 A 24 ARG HA A 28 GLU H 1.0 1.8 5.01 186 146 A 24 ARG HA A 27 GLN H 1.0 1.8 4.94 187 147 A 28 GLU H A 25 CYS HA 1.0 1.8 5.15 188 148 A 35 ASP H A 34 ARG HBy 1.0 1.8 4.59 189 149 A 27 GLN H A 27 GLN HGx 1.0 1.8 5.50 190 150 A 31 GLU H A 28 GLU HA 1.0 1.8 4.70 191 151 A 12 GLN H A 12 GLN HGy 1.0 1.8 5.32 192 152 A 3 GLU H A 2 LYS H 1.0 1.8 3.91 193 153 A 5 GLU HA A 8 ARG HBx 1.0 1.8 3.84 194 153 A 5 GLU HA A 8 ARG HBy 1.0 1.8 3.84 195 154 A 30 GLU H A 27 GLN HA 1.0 1.8 4.92 196 155 A 17 GLN HE2x A 17 GLN HBx 1.0 1.8 5.38 197 155 A 17 GLN HBy A 17 GLN HE2x 1.0 1.8 5.38 198 156 A 29 CYS H A 28 GLU H 1.0 1.8 3.86 199 157 A 2 LYS H A 2 LYS HGy 1.0 1.8 3.86 200 157 A 2 LYS H A 2 LYS HGx 1.0 1.8 3.86 201 158 A 2 LYS HBy A 2 LYS HEx 1.0 1.8 4.61 202 158 A 2 LYS HBx A 2 LYS HEx 1.0 1.8 4.61 203 158 A 2 LYS HEy A 2 LYS HBx 1.0 1.8 4.61 204 158 A 2 LYS HBy A 2 LYS HEy 1.0 1.8 4.61 205 159 A 3 GLU H A 2 LYS HBx 1.0 1.8 4.28 206 159 A 3 GLU H A 2 LYS HBy 1.0 1.8 4.28 207 160 A 3 GLU H A 3 GLU HBy 1.0 1.8 3.58 208 160 A 3 GLU H A 3 GLU HBx 1.0 1.8 3.58 209 161 A 4 THR H A 3 GLU HBy 1.0 1.8 4.30 210 161 A 4 THR H A 3 GLU HBx 1.0 1.8 4.30 211 162 A 6 ILE H A 6 ILE HG1y 1.0 1.8 3.58 212 162 A 6 ILE H A 6 ILE HG1x 1.0 1.8 3.58 213 163 A 7 CYS H A 7 CYS HBy 1.0 1.8 3.44 214 163 A 7 CYS H A 7 CYS HBx 1.0 1.8 3.44 215 164 A 7 CYS HA A 10 TRP HBx 1.0 1.8 3.46 216 164 A 7 CYS HA A 10 TRP HBy 1.0 1.8 3.46 217 165 A 8 ARG H A 8 ARG HGy 1.0 1.8 4.37 218 165 A 8 ARG H A 8 ARG HGx 1.0 1.8 4.37 219 166 A 8 ARG HA A 8 ARG HDy 1.0 1.8 4.30 220 166 A 8 ARG HA A 8 ARG HDx 1.0 1.8 4.30 221 167 A 8 ARG HE A 12 GLN HBy 1.0 1.8 4.05 222 167 A 8 ARG HE A 12 GLN HBx 1.0 1.8 4.05 223 168 A 8 ARG HE A 12 GLN HGx 1.0 1.8 4.16 224 168 A 8 ARG HE A 12 GLN HGy 1.0 1.8 4.16 225 169 A 9 GLN H A 9 GLN HGy 1.0 1.8 4.35 226 169 A 9 GLN H A 9 GLN HGx 1.0 1.8 4.35 227 170 A 9 GLN HBy A 9 GLN HE2x 1.0 1.8 4.53 228 170 A 9 GLN HBx A 9 GLN HE2x 1.0 1.8 4.53 229 170 A 9 GLN HE2y A 9 GLN HBx 1.0 1.8 4.53 230 170 A 9 GLN HBy A 9 GLN HE2y 1.0 1.8 4.53 231 171 A 10 TRP H A 10 TRP HBx 1.0 1.8 3.01 232 171 A 10 TRP H A 10 TRP HBy 1.0 1.8 3.01 233 172 A 10 TRP HA A 13 VAL HGy% 1.0 1.8 4.86 234 172 A 10 TRP HA A 13 VAL HG11 1.0 1.8 4.86 235 173 A 10 TRP HE3 A 10 TRP HBx 1.0 1.8 3.69 236 173 A 10 TRP HE3 A 10 TRP HBy 1.0 1.8 3.69 237 174 A 11 CYS H A 10 TRP HBx 1.0 1.8 3.49 238 174 A 11 CYS H A 10 TRP HBy 1.0 1.8 3.49 239 175 A 11 CYS H A 11 CYS HBy 1.0 1.8 3.25 240 175 A 11 CYS H A 11 CYS HBx 1.0 1.8 3.25 241 176 A 12 GLN H A 11 CYS HBy 1.0 1.8 4.40 242 176 A 12 GLN H A 11 CYS HBx 1.0 1.8 4.40 243 177 A 12 GLN H A 12 GLN HBy 1.0 1.8 3.50 244 177 A 12 GLN H A 12 GLN HBx 1.0 1.8 3.50 245 178 A 12 GLN HA A 12 GLN HGx 1.0 1.8 3.71 246 178 A 12 GLN HA A 12 GLN HGy 1.0 1.8 3.71 247 179 A 12 GLN HBy A 13 VAL HGy% 1.0 1.8 4.40 248 179 A 12 GLN HBx A 13 VAL HGy% 1.0 1.8 4.40 249 179 A 13 VAL HG11 A 12 GLN HBy 1.0 1.8 4.40 250 179 A 12 GLN HBx A 13 VAL HG11 1.0 1.8 4.40 251 180 A 13 VAL H A 13 VAL HGy% 1.0 1.8 3.55 252 180 A 13 VAL H A 13 VAL HG11 1.0 1.8 3.55 253 181 A 14 MET H A 13 VAL HGy% 1.0 1.8 4.83 254 181 A 14 MET H A 13 VAL HG11 1.0 1.8 4.83 255 182 A 14 MET H A 14 MET HBy 1.0 1.8 3.64 256 182 A 14 MET H A 14 MET HBx 1.0 1.8 3.64 257 183 A 15 LYS H A 16 PRO HDy 1.0 1.8 4.85 258 183 A 15 LYS H A 16 PRO HDx 1.0 1.8 4.85 259 184 A 15 LYS HA A 16 PRO HDy 1.0 1.8 3.09 260 184 A 15 LYS HA A 16 PRO HDx 1.0 1.8 3.09 261 185 A 15 LYS HBx A 15 LYS HDx 1.0 1.8 3.65 262 185 A 15 LYS HBy A 15 LYS HDx 1.0 1.8 3.65 263 185 A 15 LYS HDy A 15 LYS HBy 1.0 1.8 3.65 264 185 A 15 LYS HDy A 15 LYS HBx 1.0 1.8 3.65 265 186 A 15 LYS HBy A 15 LYS HEx 1.0 1.8 4.74 266 186 A 15 LYS HEy A 15 LYS HBy 1.0 1.8 4.74 267 186 A 15 LYS HBx A 15 LYS HEy 1.0 1.8 4.74 268 186 A 15 LYS HBx A 15 LYS HEx 1.0 1.8 4.74 269 187 A 17 GLN HE2x A 16 PRO HBy 1.0 1.8 4.68 270 187 A 17 GLN HE2x A 16 PRO HBx 1.0 1.8 4.68 271 187 A 17 GLN HE2y A 16 PRO HBx 1.0 1.8 4.68 272 187 A 17 GLN HE2y A 16 PRO HBy 1.0 1.8 4.68 273 188 A 17 GLN H A 16 PRO HDy 1.0 1.8 4.87 274 188 A 17 GLN H A 16 PRO HDx 1.0 1.8 4.87 275 189 A 17 GLN H A 17 GLN HGx 1.0 1.8 4.70 276 189 A 17 GLN H A 17 GLN HGy 1.0 1.8 4.70 277 190 A 17 GLN HE2x A 17 GLN HBx 1.0 1.8 4.56 278 190 A 17 GLN HE2y A 17 GLN HBx 1.0 1.8 4.56 279 190 A 17 GLN HBy A 17 GLN HE2y 1.0 1.8 4.56 280 190 A 17 GLN HBy A 17 GLN HE2x 1.0 1.8 4.56 281 191 A 17 GLN HE2x A 17 GLN HGx 1.0 1.8 3.11 282 191 A 17 GLN HE2y A 17 GLN HGy 1.0 1.8 3.11 283 191 A 17 GLN HE2x A 17 GLN HGy 1.0 1.8 3.11 284 191 A 17 GLN HE2y A 17 GLN HGx 1.0 1.8 3.11 285 192 A 18 GLY H A 19 GLY HAy 1.0 1.8 5.17 286 192 A 18 GLY H A 19 GLY HAx 1.0 1.8 5.17 287 193 A 20 GLU H A 20 GLU HBy 1.0 1.8 3.48 288 193 A 20 GLU H A 20 GLU HBx 1.0 1.8 3.48 289 194 A 21 GLU H A 21 GLU HGy 1.0 1.8 4.59 290 194 A 21 GLU H A 21 GLU HGx 1.0 1.8 4.59 291 195 A 21 GLU HA A 21 GLU HGy 1.0 1.8 3.56 292 195 A 21 GLU HGx A 21 GLU HA 1.0 1.8 3.56 293 196 A 23 ARG H A 23 ARG HGx 1.0 1.8 3.84 294 196 A 23 ARG H A 23 ARG HGy 1.0 1.8 3.84 295 197 A 23 ARG HA A 23 ARG HGx 1.0 1.8 3.67 296 197 A 23 ARG HGy A 23 ARG HA 1.0 1.8 3.67 297 198 A 24 ARG H A 23 ARG HGx 1.0 1.8 4.20 298 198 A 24 ARG H A 23 ARG HGy 1.0 1.8 4.20 299 199 A 24 ARG H A 24 ARG HGy 1.0 1.8 4.55 300 199 A 24 ARG H A 24 ARG HGx 1.0 1.8 4.55 301 200 A 26 GLN H A 25 CYS HBy 1.0 1.8 3.66 302 200 A 26 GLN H A 25 CYS HBx 1.0 1.8 3.66 303 201 A 26 GLN H A 26 GLN HGx 1.0 1.8 3.94 304 201 A 26 GLN H A 26 GLN HGy 1.0 1.8 3.94 305 202 A 26 GLN HBx A 26 GLN HGx 1.0 1.8 2.34 306 202 A 26 GLN HBy A 26 GLN HGx 1.0 1.8 2.34 307 202 A 26 GLN HGy A 26 GLN HBx 1.0 1.8 2.34 308 202 A 26 GLN HGy A 26 GLN HBy 1.0 1.8 2.34 309 203 A 26 GLN HBy A 26 GLN HE2y 1.0 1.8 3.83 310 203 A 26 GLN HE2x A 26 GLN HBx 1.0 1.8 3.83 311 203 A 26 GLN HBy A 26 GLN HE2x 1.0 1.8 3.83 312 203 A 26 GLN HBx A 26 GLN HE2y 1.0 1.8 3.83 313 204 A 27 GLN H A 26 GLN HBx 1.0 1.8 3.64 314 204 A 27 GLN H A 26 GLN HBy 1.0 1.8 3.64 315 205 A 27 GLN H A 27 GLN HBy 1.0 1.8 3.63 316 205 A 27 GLN H A 27 GLN HBx 1.0 1.8 3.63 317 206 A 27 GLN HBy A 27 GLN HE2x 1.0 1.8 4.36 318 206 A 27 GLN HBx A 27 GLN HE2x 1.0 1.8 4.36 319 206 A 27 GLN HE2y A 27 GLN HBy 1.0 1.8 4.36 320 206 A 27 GLN HBx A 27 GLN HE2y 1.0 1.8 4.36 321 207 A 28 GLU H A 27 GLN HBy 1.0 1.8 3.84 322 207 A 28 GLU H A 27 GLN HBx 1.0 1.8 3.84 323 208 A 28 GLU H A 28 GLU HBy 1.0 1.8 3.10 324 208 A 28 GLU H A 28 GLU HBx 1.0 1.8 3.10 325 209 A 28 GLU H A 28 GLU HGy 1.0 1.8 3.44 326 209 A 28 GLU H A 28 GLU HGx 1.0 1.8 3.44 327 210 A 29 CYS H A 28 GLU HBy 1.0 1.8 3.80 328 210 A 29 CYS H A 28 GLU HBx 1.0 1.8 3.80 329 211 A 30 GLU H A 29 CYS HBy 1.0 1.8 4.34 330 211 A 30 GLU H A 29 CYS HBx 1.0 1.8 4.34 331 212 A 30 GLU H A 30 GLU HGy 1.0 1.8 3.50 332 212 A 30 GLU H A 30 GLU HGx 1.0 1.8 3.50 333 213 A 30 GLU HA A 30 GLU HGy 1.0 1.8 3.49 334 213 A 30 GLU HGx A 30 GLU HA 1.0 1.8 3.49 335 214 A 31 GLU H A 30 GLU HBy 1.0 1.8 4.18 336 214 A 31 GLU H A 30 GLU HBx 1.0 1.8 4.18 337 215 A 31 GLU H A 31 GLU HGx 1.0 1.8 4.18 338 215 A 31 GLU H A 31 GLU HGy 1.0 1.8 4.18 339 216 A 32 ARG H A 33 LEU HBx 1.0 1.8 4.92 340 216 A 32 ARG H A 33 LEU HBy 1.0 1.8 4.92 341 217 A 33 LEU H A 32 ARG HGx 1.0 1.8 3.78 342 217 A 33 LEU H A 32 ARG HGy 1.0 1.8 3.78 343 218 A 33 LEU H A 33 LEU HBx 1.0 1.8 3.14 344 218 A 33 LEU H A 33 LEU HBy 1.0 1.8 3.14 345 219 A 33 LEU HA A 33 LEU HDy% 1.0 1.8 3.16 346 219 A 33 LEU HA A 33 LEU HDx% 1.0 1.8 3.16 347 220 A 34 ARG HBx A 34 ARG HDx 1.0 1.8 3.64 348 220 A 34 ARG HBy A 34 ARG HDx 1.0 1.8 3.64 349 220 A 34 ARG HDy A 34 ARG HBx 1.0 1.8 3.64 350 220 A 34 ARG HDy A 34 ARG HBy 1.0 1.8 3.64 351 221 A 34 ARG HE A 34 ARG HBx 1.0 1.8 4.52 352 221 A 34 ARG HBy A 34 ARG HE 1.0 1.8 4.52 353 222 A 35 ASP H A 34 ARG HBx 1.0 1.8 3.92 354 222 A 35 ASP H A 34 ARG HBy 1.0 1.8 3.92 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin 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 5 GLU H A 1 PCA O 1.0 0.0 2.3 2 2 A 1 PCA O A 5 GLU N 1.0 0.0 3.3 3 3 A 6 ILE H A 2 LYS O 1.0 0.0 2.3 4 4 A 2 LYS O A 6 ILE N 1.0 0.0 3.3 5 5 A 7 CYS H A 3 GLU O 1.0 0.0 2.3 6 6 A 3 GLU O A 7 CYS N 1.0 0.0 3.3 7 7 A 9 GLN H A 5 GLU O 1.0 0.0 2.3 8 8 A 5 GLU O A 9 GLN N 1.0 0.0 3.3 9 9 A 10 TRP H A 6 ILE O 1.0 0.0 2.3 10 10 A 6 ILE O A 10 TRP N 1.0 0.0 3.3 11 11 A 12 GLN H A 8 ARG O 1.0 0.0 2.3 12 12 A 8 ARG O A 12 GLN N 1.0 0.0 3.3 13 13 A 13 VAL H A 9 GLN O 1.0 0.0 2.3 14 14 A 9 GLN O A 13 VAL N 1.0 0.0 3.3 15 15 A 14 MET H A 10 TRP O 1.0 0.0 2.3 16 16 A 10 TRP O A 14 MET N 1.0 0.0 3.3 17 17 A 15 LYS H A 11 CYS O 1.0 0.0 2.3 18 18 A 11 CYS O A 15 LYS N 1.0 0.0 3.3 19 19 A 23 ARG H A 19 GLY O 1.0 0.0 2.3 20 20 A 19 GLY O A 23 ARG N 1.0 0.0 3.3 21 21 A 25 CYS H A 21 GLU O 1.0 0.0 2.3 22 22 A 21 GLU O A 25 CYS N 1.0 0.0 3.3 23 23 A 26 GLN N A 22 GLN O 1.0 0.0 3.3 24 24 A 26 GLN N A 22 GLN O 1.0 0.0 3.3 25 25 A 27 GLN H A 23 ARG O 1.0 0.0 2.3 26 26 A 23 ARG O A 27 GLN N 1.0 0.0 3.3 27 27 A 28 GLU H A 24 ARG O 1.0 0.0 2.3 28 28 A 24 ARG O A 28 GLU N 1.0 0.0 3.3 29 29 A 29 CYS H A 25 CYS O 1.0 0.0 2.3 30 30 A 25 CYS O A 29 CYS N 1.0 0.0 3.3 31 31 A 30 GLU H A 26 GLN O 1.0 0.0 2.3 32 32 A 26 GLN O A 30 GLU N 1.0 0.0 3.3 33 33 A 31 GLU H A 27 GLN O 1.0 0.0 2.3 34 34 A 27 GLN O A 31 GLU N 1.0 0.0 3.3 35 35 A 32 ARG H A 28 GLU O 1.0 0.0 2.3 36 36 A 28 GLU O A 32 ARG N 1.0 0.0 3.3 37 37 A 33 LEU H A 29 CYS O 1.0 0.0 2.3 38 38 A 29 CYS O A 33 LEU N 1.0 0.0 3.3 39 39 A 34 ARG H A 30 GLU O 1.0 0.0 2.3 40 40 A 30 GLU O A 34 ARG N 1.0 0.0 3.3 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _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 2 LYS C A 3 GLU N A 3 GLU CA A 3 GLU C 1.0 -84.5 -44.5 PHI 2 2 A 3 GLU N A 3 GLU CA A 3 GLU C A 4 THR N 1.0 -51.9 -11.9 PSI 3 3 A 3 GLU C A 4 THR N A 4 THR CA A 4 THR C 1.0 -87.2 -47.2 PHI 4 4 A 4 THR N A 4 THR CA A 4 THR C A 5 GLU N 1.0 -51.8 -11.2 PSI 5 5 A 4 THR C A 5 GLU N A 5 GLU CA A 5 GLU C 1.0 -88.5 -48.5 PHI 6 6 A 5 GLU N A 5 GLU CA A 5 GLU C A 6 ILE N 1.0 -52.0 -12.0 PSI 7 7 A 5 GLU C A 6 ILE N A 6 ILE CA A 6 ILE C 1.0 -91.0 -51.0 PHI 8 8 A 6 ILE N A 6 ILE CA A 6 ILE C A 7 CYS N 1.0 -54.6 -14.6 PSI 9 9 A 7 CYS C A 8 ARG N A 8 ARG CA A 8 ARG C 1.0 -79.8 -39.8 PHI 10 10 A 8 ARG N A 8 ARG CA A 8 ARG C A 9 GLN N 1.0 -52.7 -12.7 PSI 11 11 A 8 ARG C A 9 GLN N A 9 GLN CA A 9 GLN C 1.0 -91.4 -51.4 PHI 12 12 A 9 GLN N A 9 GLN CA A 9 GLN C A 10 TRP N 1.0 -43.4 -3.4 PSI 13 13 A 10 TRP C A 11 CYS N A 11 CYS CA A 11 CYS C 1.0 -90.3 -30.3 PHI 14 14 A 11 CYS N A 11 CYS CA A 11 CYS C A 12 GLN N 1.0 -71.3 -11.3 PSI 15 15 A 11 CYS C A 12 GLN N A 12 GLN CA A 12 GLN C 1.0 -84.3 -44.3 PHI 16 16 A 12 GLN N A 12 GLN CA A 12 GLN C A 13 VAL N 1.0 -54.2 -14.2 PSI 17 17 A 12 GLN C A 13 VAL N A 13 VAL CA A 13 VAL C 1.0 -87.8 -47.8 PHI 18 18 A 13 VAL N A 13 VAL CA A 13 VAL C A 14 MET N 1.0 -51.8 -11.8 PSI 19 19 A 13 VAL C A 14 MET N A 14 MET CA A 14 MET C 1.0 -95.9 -55.9 PHI 20 20 A 14 MET N A 14 MET CA A 14 MET C A 15 LYS N 1.0 -54.0 -14.0 PSI 21 21 A 14 MET C A 15 LYS N A 15 LYS CA A 15 LYS C 1.0 -156.0 -110.2 PHI 22 22 A 15 LYS N A 15 LYS CA A 15 LYS C A 16 PRO N 1.0 48.8 107.2 PSI 23 23 A 16 PRO N A 16 PRO CA A 16 PRO C A 17 GLN N 1.0 120.3 160.3 PSI 24 24 A 19 GLY C A 20 GLU N A 20 GLU CA A 20 GLU C 1.0 -83.4 -43.4 PHI 25 25 A 20 GLU N A 20 GLU CA A 20 GLU C A 21 GLU N 1.0 -58.7 -18.7 PSI 26 26 A 20 GLU C A 21 GLU N A 21 GLU CA A 21 GLU C 1.0 -83.8 -43.8 PHI 27 27 A 21 GLU N A 21 GLU CA A 21 GLU C A 22 GLN N 1.0 -59.5 -19.5 PSI 28 28 A 21 GLU C A 22 GLN N A 22 GLN CA A 22 GLN C 1.0 -88.7 -48.7 PHI 29 29 A 22 GLN N A 22 GLN CA A 22 GLN C A 23 ARG N 1.0 -59.6 -19.6 PSI 30 30 A 22 GLN C A 23 ARG N A 23 ARG CA A 23 ARG C 1.0 -87.4 -47.4 PHI 31 31 A 23 ARG N A 23 ARG CA A 23 ARG C A 24 ARG N 1.0 -57.3 -17.3 PSI 32 32 A 23 ARG C A 24 ARG N A 24 ARG CA A 24 ARG C 1.0 -87.8 -47.8 PHI 33 33 A 24 ARG N A 24 ARG CA A 24 ARG C A 25 CYS N 1.0 -56.5 -16.5 PSI 34 34 A 24 ARG C A 25 CYS N A 25 CYS CA A 25 CYS C 1.0 -86.6 -46.6 PHI 35 35 A 25 CYS N A 25 CYS CA A 25 CYS C A 26 GLN N 1.0 -57.7 -17.7 PSI 36 36 A 25 CYS C A 26 GLN N A 26 GLN CA A 26 GLN C 1.0 -85.6 -45.6 PHI 37 37 A 26 GLN N A 26 GLN CA A 26 GLN C A 27 GLN N 1.0 -60.2 -20.2 PSI 38 38 A 26 GLN C A 27 GLN N A 27 GLN CA A 27 GLN C 1.0 -86.7 -46.7 PHI 39 39 A 27 GLN N A 27 GLN CA A 27 GLN C A 28 GLU N 1.0 -60.0 -20.0 PSI 40 40 A 27 GLN C A 28 GLU N A 28 GLU CA A 28 GLU C 1.0 -87.4 -47.4 PHI 41 41 A 28 GLU N A 28 GLU CA A 28 GLU C A 29 CYS N 1.0 -58.4 -18.4 PSI 42 42 A 28 GLU C A 29 CYS N A 29 CYS CA A 29 CYS C 1.0 -84.8 -44.8 PHI 43 43 A 29 CYS N A 29 CYS CA A 29 CYS C A 30 GLU N 1.0 -58.0 -18.0 PSI 44 44 A 29 CYS C A 30 GLU N A 30 GLU CA A 30 GLU C 1.0 -85.7 -45.7 PHI 45 45 A 30 GLU N A 30 GLU CA A 30 GLU C A 31 GLU N 1.0 -55.6 -15.6 PSI 46 46 A 30 GLU C A 31 GLU N A 31 GLU CA A 31 GLU C 1.0 -87.5 -47.5 PHI 47 47 A 31 GLU N A 31 GLU CA A 31 GLU C A 32 ARG N 1.0 -57.5 -17.5 PSI 48 48 A 31 GLU C A 32 ARG N A 32 ARG CA A 32 ARG C 1.0 -88.8 -48.8 PHI 49 49 A 32 ARG N A 32 ARG CA A 32 ARG C A 33 LEU N 1.0 -54.5 -14.5 PSI 50 50 A 32 ARG C A 33 LEU N A 33 LEU CA A 33 LEU C 1.0 -90.3 -50.3 PHI 51 51 A 33 LEU N A 33 LEU CA A 33 LEU C A 34 ARG N 1.0 -47.4 0.0 PSI 52 52 A 11 CYS N A 11 CYS CA A 11 CYS CB A 11 CYS SG 1.0 -90.0 -30.0 CHI1 53 53 A 25 CYS N A 25 CYS CA A 25 CYS CB A 25 CYS SG 1.0 -90.0 -30.0 CHI1 54 54 A 29 CYS N A 29 CYS CA A 29 CYS CB A 29 CYS SG 1.0 150.0 210.0 CHI1 55 55 A 7 CYS CA A 7 CYS CB A 7 CYS SG A 29 CYS SG 1.0 -120.0 -30.0 . 56 56 A 11 CYS CA A 11 CYS CB A 11 CYS SG A 25 CYS SG 1.0 -120.0 -30.0 . 57 57 A 25 CYS CA A 25 CYS CB A 25 CYS SG A 11 CYS SG 1.0 -120.0 -30.0 . 58 58 A 29 CYS CA A 29 CYS CB A 29 CYS SG A 7 CYS SG 1.0 30.0 120.0 . stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 2 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 12.0755 . . . . 2 ppm . . 12.0755 . . . . stop_ save_