data_nef_c30758_6x8r 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 6X8R 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 3 CYS SG 1 15 CYS SG 1 4 CYS SG 1 21 CYS SG 1 10 CYS SG 1 22 CYS SG 1 22 CYS C 1 23 NH2 N stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 ARG start . . 2 A 2 GLY middle . false 3 A 3 CYS middle -HG . 4 A 4 CYS middle -HG . 5 A 5 ASN middle . . 6 A 6 GLY middle . false 7 A 7 ARG middle . . 8 A 8 GLY middle . false 9 A 9 GLY middle . false 10 A 10 CYS middle -HG . 11 A 11 SER middle . . 12 A 12 SER middle . . 13 A 13 ARG middle . . 14 A 14 TRP middle . . 15 A 15 CYS middle -HG . 16 A 16 ARG middle . . 17 A 17 ASP middle . . 18 A 18 HIS middle . . 19 A 19 ALA middle . . 20 A 20 ARG middle . . 21 A 21 CYS middle -HG . 22 A 22 CYS middle -HG,-OXT . 23 A 23 NH2 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 ARG HA H 1 4.016 0.011 A 1 ARG HBx H 1 1.855 0.007 A 1 ARG HBy H 1 1.855 0.007 A 1 ARG HDx H 1 3.076 0.001 A 1 ARG HDy H 1 3.076 0.001 A 1 ARG HE H 1 7.043 0.002 A 1 ARG HGx H 1 1.581 0.009 A 1 ARG HGy H 1 1.581 0.009 A 1 ARG CA C 13 55.516 0.000 A 1 ARG CB C 13 30.618 0.000 A 1 ARG CD C 13 43.012 0.000 A 1 ARG CG C 13 26.128 0.000 A 2 GLY H H 1 8.117 0.001 A 2 GLY HAy H 1 4.045 0.003 A 2 GLY HAx H 1 3.934 0.002 A 2 GLY CA C 13 46.985 0.007 A 2 GLY N N 15 109.262 0.000 A 3 CYS H H 1 8.536 0.001 A 3 CYS HA H 1 4.921 0.005 A 3 CYS HBx H 1 2.827 0.004 A 3 CYS HBy H 1 3.023 0.003 A 3 CYS CA C 13 55.076 0.000 A 3 CYS CB C 13 39.414 0.003 A 3 CYS N N 15 117.960 0.000 A 4 CYS H H 1 8.280 0.001 A 4 CYS HA H 1 4.503 0.002 A 4 CYS HBx H 1 3.039 0.004 A 4 CYS HBy H 1 3.643 0.002 A 4 CYS CA C 13 54.521 0.000 A 4 CYS CB C 13 40.538 0.002 A 4 CYS N N 15 111.958 0.000 A 5 ASN H H 1 8.012 0.001 A 5 ASN HA H 1 4.791 0.017 A 5 ASN HBx H 1 2.744 0.010 A 5 ASN HBy H 1 2.770 0.001 A 5 ASN HD2y H 1 7.541 0.000 A 5 ASN HD2x H 1 6.899 0.001 A 5 ASN CA C 13 52.897 0.000 A 5 ASN CB C 13 38.635 0.000 A 5 ASN N N 15 118.553 0.000 A 6 GLY H H 1 8.409 0.005 A 6 GLY HAy H 1 4.125 0.001 A 6 GLY HAx H 1 3.835 0.001 A 6 GLY CA C 13 44.826 0.004 A 6 GLY N N 15 110.248 0.000 A 7 ARG H H 1 8.591 0.002 A 7 ARG HA H 1 4.238 0.004 A 7 ARG HBx H 1 1.739 0.004 A 7 ARG HBy H 1 1.838 0.003 A 7 ARG HDy H 1 3.190 0.002 A 7 ARG HDx H 1 3.187 0.007 A 7 ARG HE H 1 7.164 0.004 A 7 ARG HGx H 1 1.597 0.003 A 7 ARG HGy H 1 1.664 0.001 A 7 ARG CA C 13 56.986 0.000 A 7 ARG CB C 13 29.905 0.015 A 7 ARG CD C 13 42.973 0.000 A 7 ARG CG C 13 27.005 0.004 A 7 ARG N N 15 121.496 0.000 A 8 GLY H H 1 8.737 0.002 A 8 GLY HAx H 1 4.018 0.000 A 8 GLY HAy H 1 4.018 0.000 A 8 GLY CA C 13 45.480 0.000 A 8 GLY N N 15 110.283 0.000 A 9 GLY H H 1 8.783 0.003 A 9 GLY HAy H 1 4.108 0.012 A 9 GLY HAx H 1 4.091 0.013 A 9 GLY CA C 13 44.950 0.000 A 9 GLY N N 15 111.667 0.000 A 10 CYS H H 1 8.535 0.001 A 10 CYS HA H 1 4.814 0.012 A 10 CYS HBx H 1 2.825 0.003 A 10 CYS HBy H 1 3.330 0.002 A 10 CYS CA C 13 55.142 0.000 A 10 CYS CB C 13 39.462 0.052 A 10 CYS N N 15 117.467 0.000 A 11 SER H H 1 7.960 0.001 A 11 SER HA H 1 4.312 0.005 A 11 SER HBx H 1 3.918 0.000 A 11 SER HBy H 1 3.944 0.002 A 11 SER CA C 13 59.924 0.000 A 11 SER CB C 13 63.459 0.001 A 12 SER H H 1 7.956 0.008 A 12 SER HA H 1 4.597 0.003 A 12 SER HBx H 1 4.005 0.009 A 12 SER HBy H 1 4.283 0.008 A 12 SER CA C 13 56.661 0.000 A 12 SER CB C 13 64.847 0.007 A 13 ARG H H 1 8.976 0.002 A 13 ARG HA H 1 3.862 0.002 A 13 ARG HBx H 1 1.914 0.003 A 13 ARG HBy H 1 1.914 0.003 A 13 ARG HDx H 1 3.209 0.003 A 13 ARG HDy H 1 3.209 0.003 A 13 ARG HE H 1 7.495 0.002 A 13 ARG HGx H 1 1.652 0.001 A 13 ARG HGy H 1 1.715 0.000 A 13 ARG CA C 13 58.933 0.000 A 13 ARG CB C 13 29.700 0.000 A 13 ARG CD C 13 42.987 0.000 A 13 ARG CG C 13 26.659 0.008 A 13 ARG N N 15 125.875 0.000 A 14 TRP H H 1 8.722 0.002 A 14 TRP HA H 1 4.263 0.005 A 14 TRP HBx H 1 3.171 0.005 A 14 TRP HBy H 1 3.404 0.003 A 14 TRP HD1 H 1 7.191 0.001 A 14 TRP HE1 H 1 10.000 0.000 A 14 TRP HE3 H 1 7.333 0.005 A 14 TRP HH2 H 1 7.048 0.006 A 14 TRP HZ2 H 1 7.122 0.002 A 14 TRP HZ3 H 1 7.103 0.000 A 14 TRP CA C 13 62.581 0.000 A 14 TRP CB C 13 29.212 0.011 A 14 TRP N N 15 117.368 0.000 A 15 CYS H H 1 7.932 0.001 A 15 CYS HA H 1 4.470 0.002 A 15 CYS HBx H 1 3.094 0.001 A 15 CYS HBy H 1 3.430 0.001 A 15 CYS CA C 13 57.515 0.000 A 15 CYS CB C 13 36.845 0.010 A 16 ARG H H 1 8.227 0.002 A 16 ARG HA H 1 3.791 0.002 A 16 ARG HBx H 1 1.579 0.006 A 16 ARG HBy H 1 1.850 0.003 A 16 ARG HDx H 1 3.170 0.004 A 16 ARG HDy H 1 3.170 0.004 A 16 ARG HE H 1 7.076 0.001 A 16 ARG HGx H 1 1.630 0.003 A 16 ARG HGy H 1 1.630 0.003 A 16 ARG CA C 13 59.935 0.000 A 16 ARG CB C 13 27.889 0.023 A 16 ARG CD C 13 43.436 0.000 A 16 ARG CG C 13 26.648 0.000 A 17 ASP H H 1 7.927 0.001 A 17 ASP HA H 1 4.348 0.009 A 17 ASP HBx H 1 1.906 0.013 A 17 ASP HBy H 1 2.224 0.009 A 17 ASP CA C 13 55.447 0.000 A 17 ASP CB C 13 40.833 0.015 A 18 HIS H H 1 7.610 0.002 A 18 HIS HA H 1 4.454 0.008 A 18 HIS HBx H 1 1.329 0.002 A 18 HIS HBy H 1 2.567 0.001 A 18 HIS HD1 H 1 9.998 0.006 A 18 HIS HD2 H 1 6.303 0.002 A 18 HIS HE1 H 1 8.369 0.002 A 18 HIS CA C 13 56.503 0.000 A 18 HIS CB C 13 29.209 0.000 A 18 HIS N N 15 112.730 0.000 A 19 ALA H H 1 8.432 0.001 A 19 ALA HA H 1 4.752 0.012 A 19 ALA HB% H 1 1.628 0.003 A 19 ALA CA C 13 51.606 0.000 A 19 ALA CB C 13 20.656 0.000 A 19 ALA N N 15 123.611 0.000 A 20 ARG H H 1 9.155 0.003 A 20 ARG HA H 1 4.030 0.004 A 20 ARG HBx H 1 1.878 0.004 A 20 ARG HBy H 1 1.878 0.004 A 20 ARG HDx H 1 3.200 0.002 A 20 ARG HDy H 1 3.200 0.002 A 20 ARG HE H 1 7.182 0.000 A 20 ARG HGx H 1 1.680 0.016 A 20 ARG HGy H 1 1.719 0.016 A 20 ARG CA C 13 58.769 0.000 A 20 ARG CB C 13 29.358 0.000 A 20 ARG CD C 13 43.420 0.000 A 20 ARG CG C 13 27.008 0.004 A 20 ARG N N 15 128.874 0.000 A 21 CYS H H 1 8.226 0.002 A 21 CYS HA H 1 4.546 0.003 A 21 CYS HBx H 1 3.056 0.004 A 21 CYS HBy H 1 3.788 0.001 A 21 CYS CA C 13 56.715 0.000 A 21 CYS CB C 13 43.003 0.013 A 22 CYS H H 1 7.680 0.001 A 22 CYS HA H 1 4.893 0.004 A 22 CYS HBy H 1 3.284 0.003 A 22 CYS HBx H 1 3.013 0.001 A 22 CYS CA C 13 53.556 0.000 A 22 CYS CB C 13 38.432 0.020 A 22 CYS N N 15 120.149 0.000 A 23 NH2 HNy H 1 7.383 0.000 A 23 NH2 HNx H 1 7.195 0.000 A 23 NH2 N N 15 107.613 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 3 CYS H A 2 GLY HAy 1.0 0.0 3.36 2 2 A 3 CYS H A 2 GLY HAx 1.0 0.0 3.36 3 3 A 3 CYS H A 2 GLY H 1.0 0.0 3.36 4 4 A 3 CYS H A 4 CYS H 1.0 0.0 3.45 5 5 A 10 CYS H A 11 SER H 1.0 0.0 3.08 6 6 A 4 CYS HA A 5 ASN H 1.0 0.0 3.42 7 7 A 5 ASN H A 4 CYS HBy 1.0 0.0 3.98 8 8 A 5 ASN H A 4 CYS HBx 1.0 0.0 3.98 9 9 A 4 CYS H A 5 ASN H 1.0 0.0 3.30 10 10 A 6 GLY H A 7 ARG H 1.0 0.0 4.60 11 11 A 8 GLY H A 7 ARG HBx 1.0 0.0 3.98 12 12 A 8 GLY H A 7 ARG HBy 1.0 0.0 3.98 13 13 A 8 GLY H A 7 ARG HA 1.0 0.0 2.96 14 14 A 10 CYS H A 9 GLY HAy 1.0 0.0 2.99 15 15 A 10 CYS H A 9 GLY HAx 1.0 0.0 2.99 16 16 A 11 SER H A 10 CYS HA 1.0 0.0 3.36 17 17 A 11 SER H A 10 CYS HBy 1.0 0.0 4.20 18 18 A 11 SER H A 10 CYS HBx 1.0 0.0 4.20 19 19 A 12 SER HA A 13 ARG H 1.0 0.0 2.59 20 20 A 14 TRP H A 13 ARG HBx 1.0 0.0 4.30 21 20 A 13 ARG HBy A 14 TRP H 1.0 0.0 4.30 22 21 A 13 ARG H A 14 TRP H 1.0 0.0 3.30 23 22 A 14 TRP H A 15 CYS H 1.0 0.0 3.17 24 23 A 15 CYS H A 14 TRP HA 1.0 0.0 3.42 25 24 A 15 CYS H A 16 ARG H 1.0 0.0 2.77 26 25 A 18 HIS H A 17 ASP HBy 1.0 0.0 3.92 27 26 A 18 HIS H A 17 ASP HBx 1.0 0.0 3.92 28 27 A 18 HIS H A 17 ASP H 1.0 0.0 3.02 29 28 A 18 HIS HA A 19 ALA H 1.0 0.0 3.36 30 29 A 18 HIS H A 19 ALA H 1.0 0.0 2.77 31 30 A 21 CYS H A 20 ARG HBx 1.0 0.0 3.90 32 30 A 20 ARG HBy A 21 CYS H 1.0 0.0 3.90 33 31 A 19 ALA H A 20 ARG H 1.0 0.0 4.48 34 32 A 21 CYS H A 22 CYS H 1.0 0.0 3.24 35 33 A 20 ARG H A 20 ARG HBx 1.0 0.0 4.05 36 33 A 20 ARG HBy A 20 ARG H 1.0 0.0 4.05 37 34 A 13 ARG H A 13 ARG HBx 1.0 0.0 3.84 38 34 A 13 ARG H A 13 ARG HBy 1.0 0.0 3.84 39 35 A 14 TRP H A 14 TRP HBy 1.0 0.0 2.96 40 36 A 14 TRP H A 14 TRP HBx 1.0 0.0 2.96 41 37 A 14 TRP H A 14 TRP HA 1.0 0.0 2.87 42 38 A 7 ARG H A 7 ARG HBy 1.0 0.0 3.52 43 39 A 7 ARG H A 7 ARG HBx 1.0 0.0 3.52 44 40 A 2 GLY H A 2 GLY HAy 1.0 0.0 2.87 45 41 A 2 GLY H A 2 GLY HAx 1.0 0.0 2.87 46 42 A 5 ASN H A 5 ASN HBy 1.0 0.0 3.30 47 43 A 5 ASN H A 5 ASN HBx 1.0 0.0 3.30 48 44 A 11 SER H A 11 SER HBy 1.0 0.0 3.08 49 45 A 11 SER H A 11 SER HBx 1.0 0.0 3.08 50 46 A 12 SER H A 12 SER HBy 1.0 0.0 3.30 51 47 A 12 SER H A 12 SER HBx 1.0 0.0 3.30 52 48 A 15 CYS H A 15 CYS HBx 1.0 0.0 3.30 53 49 A 15 CYS H A 15 CYS HBy 1.0 0.0 3.30 54 50 A 17 ASP H A 17 ASP HBy 1.0 0.0 3.14 55 51 A 17 ASP H A 17 ASP HBx 1.0 0.0 3.14 56 52 A 22 CYS H A 22 CYS HBx 1.0 0.0 3.67 57 53 A 22 CYS H A 22 CYS HBy 1.0 0.0 3.67 58 54 A 18 HIS H A 18 HIS HBy 1.0 0.0 3.86 59 55 A 18 HIS H A 18 HIS HBx 1.0 0.0 3.86 60 56 A 5 ASN H A 2 GLY HAy 1.0 0.0 4.01 61 57 A 5 ASN H A 2 GLY HAx 1.0 0.0 4.01 62 58 A 5 ASN H A 6 GLY H 1.0 0.0 3.73 63 59 A 16 ARG H A 13 ARG HA 1.0 0.0 3.73 64 60 A 17 ASP H A 13 ARG HA 1.0 0.0 4.07 65 61 A 2 GLY H A 7 ARG HA 1.0 0.0 4.48 66 62 A 14 TRP HA A 17 ASP HBx 1.0 0.0 4.35 67 63 A 14 TRP HA A 17 ASP HBy 1.0 0.0 4.35 68 64 A 14 TRP HA A 14 TRP HD1 1.0 0.0 4.45 69 65 A 14 TRP HA A 14 TRP HE3 1.0 0.0 5.19 70 66 A 17 ASP H A 16 ARG HGx 1.0 0.0 6.38 71 66 A 17 ASP H A 16 ARG HGy 1.0 0.0 6.38 72 67 A 18 HIS HA A 18 HIS HD2 1.0 0.0 5.50 73 68 A 21 CYS H A 20 ARG HGy 1.0 0.0 5.50 74 69 A 21 CYS H A 20 ARG HGx 1.0 0.0 5.50 75 70 A 20 ARG H A 20 ARG HDx 1.0 0.0 6.38 76 70 A 20 ARG H A 20 ARG HDy 1.0 0.0 6.38 77 71 A 13 ARG H A 13 ARG HDx 1.0 0.0 6.38 78 71 A 13 ARG H A 13 ARG HDy 1.0 0.0 6.38 79 72 A 13 ARG H A 13 ARG HGx 1.0 0.0 5.50 80 73 A 13 ARG H A 13 ARG HGy 1.0 0.0 5.50 81 74 A 7 ARG H A 7 ARG HGy 1.0 0.0 5.22 82 75 A 7 ARG H A 7 ARG HGx 1.0 0.0 5.22 83 76 A 16 ARG H A 16 ARG HGx 1.0 0.0 5.51 84 76 A 16 ARG H A 16 ARG HGy 1.0 0.0 5.51 85 77 A 18 HIS HE1 A 17 ASP HBy 1.0 0.0 5.38 86 78 A 18 HIS HE1 A 17 ASP HBx 1.0 0.0 5.38 87 79 A 14 TRP HA A 18 HIS HE1 1.0 0.0 5.50 88 80 A 14 TRP HZ2 A 18 HIS HBy 1.0 0.0 5.28 89 81 A 14 TRP HH2 A 18 HIS HBy 1.0 0.0 5.50 90 82 A 14 TRP HZ2 A 18 HIS HBx 1.0 0.0 5.28 91 83 A 14 TRP HH2 A 18 HIS HBx 1.0 0.0 5.50 92 84 A 14 TRP HE3 A 15 CYS HA 1.0 0.0 3.52 93 85 A 14 TRP HA A 18 HIS HD2 1.0 0.0 3.55 94 86 A 14 TRP HD1 A 18 HIS HD2 1.0 0.0 5.10 95 87 A 18 HIS H A 18 HIS HD2 1.0 0.0 5.31 96 88 A 14 TRP HA A 18 HIS HD1 1.0 0.0 5.50 97 89 A 19 ALA HA A 1 ARG HBx 1.0 0.0 6.38 98 89 A 1 ARG HBy A 19 ALA HA 1.0 0.0 6.38 99 90 A 1 ARG HA A 1 ARG HE 1.0 0.0 4.35 100 91 A 1 ARG HE A 1 ARG HBx 1.0 0.0 4.58 101 91 A 1 ARG HBy A 1 ARG HE 1.0 0.0 4.58 102 92 A 1 ARG HA A 1 ARG HDx 1.0 0.0 5.17 103 92 A 1 ARG HA A 1 ARG HDy 1.0 0.0 5.17 104 93 A 7 ARG HA A 7 ARG HE 1.0 0.0 4.76 105 94 A 7 ARG HE A 7 ARG HGy 1.0 0.0 3.95 106 95 A 7 ARG HE A 7 ARG HGx 1.0 0.0 3.95 107 96 A 7 ARG HE A 7 ARG HBy 1.0 0.0 3.70 108 97 A 7 ARG HE A 7 ARG HBx 1.0 0.0 3.70 109 98 A 13 ARG HA A 13 ARG HE 1.0 0.0 5.31 110 99 A 13 ARG HE A 13 ARG HBx 1.0 0.0 5.33 111 99 A 13 ARG HBy A 13 ARG HE 1.0 0.0 5.33 112 100 A 13 ARG HE A 13 ARG HGx 1.0 0.0 4.11 113 101 A 13 ARG HE A 13 ARG HGy 1.0 0.0 4.11 114 102 A 16 ARG HA A 16 ARG HE 1.0 0.0 4.66 115 103 A 16 ARG HA A 16 ARG HDx 1.0 0.0 5.36 116 103 A 16 ARG HA A 16 ARG HDy 1.0 0.0 5.36 117 104 A 13 ARG HA A 13 ARG HDx 1.0 0.0 4.92 118 104 A 13 ARG HA A 13 ARG HDy 1.0 0.0 4.92 119 105 A 20 ARG HA A 20 ARG HE 1.0 0.0 4.60 120 106 A 20 ARG HE A 20 ARG HBx 1.0 0.0 4.77 121 106 A 20 ARG HBy A 20 ARG HE 1.0 0.0 4.77 122 107 A 20 ARG HE A 20 ARG HGx 1.0 0.0 3.61 123 108 A 20 ARG HE A 20 ARG HGy 1.0 0.0 3.61 124 109 A 20 ARG HA A 20 ARG HDx 1.0 0.0 4.96 125 109 A 20 ARG HDy A 20 ARG HA 1.0 0.0 4.96 126 110 A 20 ARG H A 19 ALA HB% 1.0 0.0 5.19 127 111 A 19 ALA H A 19 ALA HB% 1.0 0.0 4.07 128 112 A 22 CYS H A 19 ALA HB% 1.0 0.0 5.22 129 113 A 18 HIS H A 19 ALA HB% 1.0 0.0 6.52 130 114 A 14 TRP HE3 A 19 ALA HB% 1.0 0.0 6.52 131 115 A 15 CYS HA A 19 ALA HB% 1.0 0.0 5.09 132 116 A 19 ALA HB% A 3 CYS HBx 1.0 0.0 4.63 133 117 A 19 ALA HB% A 3 CYS HBy 1.0 0.0 4.63 134 118 A 3 CYS H A 2 GLY HAx 1.0 0.0 2.85 135 118 A 3 CYS H A 2 GLY HAy 1.0 0.0 2.85 136 119 A 4 CYS H A 2 GLY HAx 1.0 0.0 3.62 137 119 A 4 CYS H A 2 GLY HAy 1.0 0.0 3.62 138 120 A 5 ASN H A 2 GLY HAx 1.0 0.0 3.48 139 120 A 5 ASN H A 2 GLY HAy 1.0 0.0 3.48 140 121 A 5 ASN HA A 2 GLY HAx 1.0 0.0 4.15 141 121 A 2 GLY HAy A 5 ASN HA 1.0 0.0 4.15 142 122 A 3 CYS H A 3 CYS HBy 1.0 0.0 2.64 143 122 A 3 CYS H A 3 CYS HBx 1.0 0.0 2.64 144 123 A 4 CYS H A 3 CYS HBy 1.0 0.0 3.41 145 123 A 4 CYS H A 3 CYS HBx 1.0 0.0 3.41 146 124 A 19 ALA HB% A 3 CYS HBy 1.0 0.0 3.98 147 124 A 19 ALA HB% A 3 CYS HBx 1.0 0.0 3.98 148 125 A 4 CYS H A 4 CYS HBy 1.0 0.0 2.90 149 125 A 4 CYS H A 4 CYS HBx 1.0 0.0 2.90 150 126 A 5 ASN H A 4 CYS HBy 1.0 0.0 3.49 151 126 A 5 ASN H A 4 CYS HBx 1.0 0.0 3.49 152 127 A 6 GLY H A 5 ASN HBy 1.0 0.0 3.94 153 127 A 6 GLY H A 5 ASN HBx 1.0 0.0 3.94 154 128 A 7 ARG H A 6 GLY HAy 1.0 0.0 2.89 155 128 A 7 ARG H A 6 GLY HAx 1.0 0.0 2.89 156 129 A 7 ARG H A 7 ARG HBy 1.0 0.0 2.95 157 129 A 7 ARG H A 7 ARG HBx 1.0 0.0 2.95 158 130 A 7 ARG H A 7 ARG HGy 1.0 0.0 4.50 159 130 A 7 ARG H A 7 ARG HGx 1.0 0.0 4.50 160 131 A 7 ARG HBx A 7 ARG HGy 1.0 0.0 2.00 161 131 A 7 ARG HGx A 7 ARG HBy 1.0 0.0 2.00 162 131 A 7 ARG HBx A 7 ARG HGx 1.0 0.0 2.00 163 131 A 7 ARG HBy A 7 ARG HGy 1.0 0.0 2.00 164 132 A 7 ARG HE A 7 ARG HBy 1.0 0.0 3.21 165 132 A 7 ARG HE A 7 ARG HBx 1.0 0.0 3.21 166 133 A 7 ARG HE A 7 ARG HGy 1.0 0.0 3.29 167 133 A 7 ARG HE A 7 ARG HGx 1.0 0.0 3.29 168 134 A 8 GLY H A 7 ARG HGy 1.0 0.0 5.34 169 134 A 8 GLY H A 7 ARG HGx 1.0 0.0 5.34 170 135 A 14 TRP HD1 A 7 ARG HDy 1.0 0.0 4.27 171 135 A 14 TRP HD1 A 7 ARG HDx 1.0 0.0 4.27 172 136 A 10 CYS H A 10 CYS HBy 1.0 0.0 2.64 173 136 A 10 CYS H A 10 CYS HBx 1.0 0.0 2.64 174 137 A 11 SER H A 11 SER HBy 1.0 0.0 2.69 175 137 A 11 SER H A 11 SER HBx 1.0 0.0 2.69 176 138 A 12 SER H A 12 SER HBy 1.0 0.0 2.85 177 138 A 12 SER H A 12 SER HBx 1.0 0.0 2.85 178 139 A 13 ARG H A 12 SER HBy 1.0 0.0 3.14 179 139 A 13 ARG H A 12 SER HBx 1.0 0.0 3.14 180 140 A 13 ARG H A 13 ARG HGy 1.0 0.0 4.81 181 140 A 13 ARG H A 13 ARG HGx 1.0 0.0 4.81 182 141 A 13 ARG HA A 16 ARG HBx 1.0 0.0 3.26 183 141 A 13 ARG HA A 16 ARG HBy 1.0 0.0 3.26 184 142 A 14 TRP H A 14 TRP HBx 1.0 0.0 2.56 185 142 A 14 TRP H A 14 TRP HBy 1.0 0.0 2.56 186 143 A 14 TRP HA A 17 ASP HBx 1.0 0.0 3.72 187 143 A 14 TRP HA A 17 ASP HBy 1.0 0.0 3.72 188 144 A 14 TRP HD1 A 14 TRP HBx 1.0 0.0 3.15 189 144 A 14 TRP HD1 A 14 TRP HBy 1.0 0.0 3.15 190 145 A 14 TRP HE3 A 14 TRP HBx 1.0 0.0 3.50 191 145 A 14 TRP HE3 A 14 TRP HBy 1.0 0.0 3.50 192 146 A 15 CYS H A 14 TRP HBx 1.0 0.0 3.02 193 146 A 15 CYS H A 14 TRP HBy 1.0 0.0 3.02 194 147 A 14 TRP HE3 A 18 HIS HBx 1.0 0.0 5.34 195 147 A 14 TRP HE3 A 18 HIS HBy 1.0 0.0 5.34 196 148 A 15 CYS H A 15 CYS HBy 1.0 0.0 2.66 197 148 A 15 CYS H A 15 CYS HBx 1.0 0.0 2.66 198 149 A 16 ARG H A 15 CYS HBy 1.0 0.0 2.83 199 149 A 16 ARG H A 15 CYS HBx 1.0 0.0 2.83 200 150 A 19 ALA HA A 15 CYS HBy 1.0 0.0 3.59 201 150 A 19 ALA HA A 15 CYS HBx 1.0 0.0 3.59 202 151 A 19 ALA HB% A 15 CYS HBy 1.0 0.0 5.51 203 151 A 19 ALA HB% A 15 CYS HBx 1.0 0.0 5.51 204 152 A 16 ARG H A 16 ARG HBx 1.0 0.0 2.53 205 152 A 16 ARG H A 16 ARG HBy 1.0 0.0 2.53 206 153 A 16 ARG HBx A 16 ARG HDx 1.0 0.0 3.62 207 153 A 16 ARG HBy A 16 ARG HDx 1.0 0.0 3.62 208 153 A 16 ARG HDy A 16 ARG HBx 1.0 0.0 3.62 209 153 A 16 ARG HDy A 16 ARG HBy 1.0 0.0 3.62 210 154 A 16 ARG HE A 16 ARG HBx 1.0 0.0 3.08 211 154 A 16 ARG HE A 16 ARG HBy 1.0 0.0 3.08 212 155 A 17 ASP H A 16 ARG HBx 1.0 0.0 3.05 213 155 A 17 ASP H A 16 ARG HBy 1.0 0.0 3.05 214 156 A 17 ASP H A 17 ASP HBx 1.0 0.0 2.64 215 156 A 17 ASP H A 17 ASP HBy 1.0 0.0 2.64 216 157 A 18 HIS H A 17 ASP HBx 1.0 0.0 3.30 217 157 A 18 HIS H A 17 ASP HBy 1.0 0.0 3.30 218 158 A 18 HIS HD1 A 17 ASP HBx 1.0 0.0 5.34 219 158 A 18 HIS HD1 A 17 ASP HBy 1.0 0.0 5.34 220 159 A 18 HIS HD2 A 17 ASP HBx 1.0 0.0 4.82 221 159 A 18 HIS HD2 A 17 ASP HBy 1.0 0.0 4.82 222 160 A 18 HIS H A 18 HIS HBx 1.0 0.0 3.01 223 160 A 18 HIS H A 18 HIS HBy 1.0 0.0 3.01 224 161 A 19 ALA H A 18 HIS HBx 1.0 0.0 4.29 225 161 A 19 ALA H A 18 HIS HBy 1.0 0.0 4.29 226 162 A 21 CYS H A 20 ARG HGy 1.0 0.0 4.84 227 162 A 21 CYS H A 20 ARG HGx 1.0 0.0 4.84 228 163 A 21 CYS H A 21 CYS HBx 1.0 0.0 2.98 229 163 A 21 CYS H A 21 CYS HBy 1.0 0.0 2.98 230 164 A 22 CYS H A 21 CYS HBx 1.0 0.0 3.28 231 164 A 22 CYS H A 21 CYS HBy 1.0 0.0 3.28 232 165 A 21 CYS HBx A 22 CYS HBx 1.0 0.0 3.67 233 165 A 21 CYS HBy A 22 CYS HBx 1.0 0.0 3.67 234 165 A 22 CYS HBy A 21 CYS HBx 1.0 0.0 3.67 235 165 A 21 CYS HBy A 22 CYS HBy 1.0 0.0 3.67 236 166 A 22 CYS H A 22 CYS HBx 1.0 0.0 2.82 237 166 A 22 CYS H A 22 CYS HBy 1.0 0.0 2.82 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 16 ARG H A 12 SER O 1.0 0.0 2.3 2 2 A 12 SER O A 16 ARG N 1.0 0.0 3.3 3 3 A 17 ASP H A 13 ARG O 1.0 0.0 2.3 4 4 A 13 ARG O A 17 ASP N 1.0 0.0 3.3 5 5 A 18 HIS H A 14 TRP O 1.0 0.0 2.3 6 6 A 14 TRP O A 18 HIS 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 2 GLY C A 3 CYS N A 3 CYS CA A 3 CYS C 1.0 -116.8 -50.0 PHI 2 2 A 3 CYS N A 3 CYS CA A 3 CYS C A 4 CYS N 1.0 -34.7 25.3 PSI 3 3 A 3 CYS N A 3 CYS CA A 3 CYS CB A 3 CYS SG 1.0 -90.0 -30.0 CHI1 4 4 A 3 CYS C A 4 CYS N A 4 CYS CA A 4 CYS C 1.0 -125.6 -65.6 PHI 5 5 A 4 CYS N A 4 CYS CA A 4 CYS C A 5 ASN N 1.0 -51.2 48.8 PSI 6 6 A 4 CYS N A 4 CYS CA A 4 CYS CB A 4 CYS SG 1.0 -90.0 -30.0 CHI1 7 7 A 5 ASN C A 6 GLY N A 6 GLY CA A 6 GLY C 1.0 60.0 150.0 PHI 8 8 A 7 ARG C A 8 GLY N A 8 GLY CA A 8 GLY C 1.0 -120.0 0.0 PHI 9 9 A 11 SER C A 12 SER N A 12 SER CA A 12 SER C 1.0 -148.5 -46.5 PHI 10 10 A 12 SER N A 12 SER CA A 12 SER C A 13 ARG N 1.0 97.6 174.4 PSI 11 11 A 12 SER C A 13 ARG N A 13 ARG CA A 13 ARG C 1.0 -82.6 -42.6 PHI 12 12 A 13 ARG N A 13 ARG CA A 13 ARG C A 14 TRP N 1.0 -55.2 -15.2 PSI 13 13 A 13 ARG C A 14 TRP N A 14 TRP CA A 14 TRP C 1.0 -92.2 -32.2 PHI 14 14 A 14 TRP N A 14 TRP CA A 14 TRP C A 15 CYS N 1.0 -65.1 -25.1 PSI 15 15 A 14 TRP C A 15 CYS N A 15 CYS CA A 15 CYS C 1.0 -88.1 -48.1 PHI 16 16 A 15 CYS N A 15 CYS CA A 15 CYS C A 16 ARG N 1.0 -60.8 -10.8 PSI 17 17 A 15 CYS N A 15 CYS CA A 15 CYS CB A 15 CYS SG 1.0 -90.0 -30.0 CHI1 18 18 A 15 CYS C A 16 ARG N A 16 ARG CA A 16 ARG C 1.0 -83.6 -43.6 PHI 19 19 A 16 ARG N A 16 ARG CA A 16 ARG C A 17 ASP N 1.0 -57.8 -17.8 PSI 20 20 A 17 ASP N A 17 ASP CA A 17 ASP C A 18 HIS N 1.0 -52.5 7.5 PSI 21 21 A 17 ASP C A 18 HIS N A 18 HIS CA A 18 HIS C 1.0 -117.7 -57.7 PHI 22 22 A 18 HIS C A 19 ALA N A 19 ALA CA A 19 ALA C 1.0 -124.5 -43.3 PHI 23 23 A 19 ALA N A 19 ALA CA A 19 ALA C A 20 ARG N 1.0 88.4 168.4 PSI 24 24 A 19 ALA C A 20 ARG N A 20 ARG CA A 20 ARG C 1.0 -107.9 -27.9 PHI 25 25 A 20 ARG N A 20 ARG CA A 20 ARG C A 21 CYS N 1.0 -57.8 2.2 PSI 26 26 A 21 CYS N A 21 CYS CA A 21 CYS CB A 21 CYS SG 1.0 -90.0 -30.0 CHI1 27 27 A 4 CYS CA A 4 CYS CB A 4 CYS SG A 21 CYS SG 1.0 -100.0 -20.0 . 28 28 A 15 CYS CA A 15 CYS CB A 15 CYS SG A 3 CYS SG 1.0 -90.0 -30.0 . stop_ save_