data_nef_c25939_2naj save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2NAJ stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 2 CYS SG 1 16 CYS SG 1 9 CYS SG 1 21 CYS SG 1 15 CYS SG 1 29 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 ASN start . . 2 A 2 CYS middle -HG . 3 A 3 ALA middle . . 4 A 4 LYS middle . . 5 A 5 GLU middle . . 6 A 6 GLY middle . false 7 A 7 GLU middle . . 8 A 8 VAL middle . . 9 A 9 CYS middle -HG . 10 A 10 GLY middle . false 11 A 11 TRP middle . . 12 A 12 GLY middle . false 13 A 13 SER middle . . 14 A 14 LYS middle . . 15 A 15 CYS middle -HG . 16 A 16 CYS middle -HG . 17 A 17 HIS middle . . 18 A 18 GLY middle . false 19 A 19 LEU middle . . 20 A 20 ASP middle . . 21 A 21 CYS middle -HG . 22 A 22 PRO middle . false 23 A 23 LEU middle . . 24 A 24 ALA middle . . 25 A 25 PHE middle . . 26 A 26 ILE middle . . 27 A 27 PRO middle . false 28 A 28 TYR middle . . 29 A 29 CYS middle -HG . 30 A 30 GLU middle . . 31 A 31 LYS middle . . 32 A 32 TYR middle . . 33 A 33 ARG end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 ASN HA H 1 4.459 0.020 A 1 ASN HB2 H 1 2.905 0.020 A 1 ASN HB3 H 1 3.032 0.020 A 1 ASN HD21 H 1 7.758 0.020 A 1 ASN HD22 H 1 7.078 0.020 A 2 CYS H H 1 8.573 0.020 A 2 CYS HA H 1 4.909 0.020 A 2 CYS HB2 H 1 3.040 0.020 A 2 CYS HB3 H 1 3.164 0.020 A 3 ALA H H 1 8.993 0.020 A 3 ALA HA H 1 4.449 0.020 A 3 ALA HB% H 1 1.267 0.020 A 4 LYS H H 1 8.210 0.020 A 4 LYS HA H 1 4.082 0.020 A 4 LYS HB2 H 1 1.496 0.020 A 4 LYS HB3 H 1 1.414 0.020 A 4 LYS HDx H 1 1.576 0.020 A 4 LYS HDy H 1 1.576 0.020 A 4 LYS HEx H 1 3.051 0.020 A 4 LYS HEy H 1 3.051 0.020 A 4 LYS HGy H 1 1.9544 0.020 A 4 LYS HGx H 1 1.954 0.020 A 5 GLU H H 1 8.369 0.020 A 5 GLU HA H 1 3.512 0.020 A 5 GLU HBx H 1 1.910 0.020 A 5 GLU HBy H 1 1.910 0.020 A 5 GLU HG2 H 1 2.197 0.020 A 5 GLU HG3 H 1 2.315 0.020 A 6 GLY H H 1 9.070 0.020 A 6 GLY HA2 H 1 3.574 0.020 A 6 GLY HA3 H 1 4.226 0.020 A 7 GLU H H 1 8.145 0.020 A 7 GLU HA H 1 4.651 0.020 A 7 GLU HBx H 1 2.065 0.020 A 7 GLU HBy H 1 2.065 0.020 A 7 GLU HG2 H 1 2.172 0.020 A 7 GLU HG3 H 1 2.311 0.020 A 8 VAL H H 1 8.298 0.020 A 8 VAL HA H 1 4.289 0.020 A 8 VAL HB H 1 1.915 0.020 A 8 VAL HGx% H 1 0.914 0.020 A 8 VAL HGy% H 1 0.875 0.020 A 9 CYS H H 1 7.986 0.020 A 9 CYS HA H 1 5.126 0.020 A 9 CYS HB2 H 1 3.302 0.020 A 9 CYS HB3 H 1 3.364 0.020 A 10 GLY H H 1 7.985 0.020 A 10 GLY HA2 H 1 3.790 0.020 A 10 GLY HA3 H 1 4.077 0.020 A 11 TRP H H 1 8.606 0.020 A 11 TRP HA H 1 4.359 0.020 A 11 TRP HB2 H 1 3.230 0.020 A 11 TRP HB3 H 1 3.310 0.020 A 11 TRP HD1 H 1 7.260 0.020 A 11 TRP HE1 H 1 10.130 0.020 A 11 TRP HE3 H 1 7.554 0.020 A 11 TRP HH2 H 1 7.243 0.020 A 11 TRP HZ2 H 1 7.421 0.020 A 11 TRP HZ3 H 1 7.146 0.020 A 12 GLY H H 1 8.415 0.020 A 12 GLY HA2 H 1 3.713 0.020 A 12 GLY HA3 H 1 3.940 0.020 A 13 SER H H 1 7.700 0.020 A 13 SER HA H 1 4.659 0.020 A 13 SER HB2 H 1 3.657 0.020 A 13 SER HB3 H 1 3.779 0.020 A 14 LYS H H 1 8.553 0.020 A 14 LYS HA H 1 4.556 0.020 A 14 LYS HB2 H 1 1.721 0.020 A 14 LYS HB3 H 1 1.860 0.020 A 14 LYS HGx H 1 1.470 0.020 A 14 LYS HGy H 1 1.470 0.020 A 15 CYS H H 1 9.151 0.020 A 15 CYS HA H 1 5.110 0.020 A 15 CYS HB2 H 1 2.510 0.020 A 15 CYS HB3 H 1 3.170 0.020 A 16 CYS H H 1 9.560 0.020 A 16 CYS HA H 1 4.536 0.020 A 16 CYS HB2 H 1 2.578 0.020 A 16 CYS HB3 H 1 3.421 0.020 A 17 HIS H H 1 8.575 0.020 A 17 HIS HA H 1 4.361 0.020 A 17 HIS HB2 H 1 3.150 0.020 A 17 HIS HB3 H 1 3.304 0.020 A 17 HIS HD2 H 1 7.690 0.020 A 17 HIS HE1 H 1 7.381 0.020 A 18 GLY H H 1 8.731 0.020 A 18 GLY HA2 H 1 3.514 0.020 A 18 GLY HA3 H 1 4.218 0.020 A 19 LEU H H 1 7.693 0.020 A 19 LEU HA H 1 5.064 0.020 A 19 LEU HB2 H 1 1.249 0.020 A 19 LEU HB3 H 1 2.124 0.020 A 19 LEU HDx% H 1 0.848 0.020 A 19 LEU HDy% H 1 0.675 0.020 A 19 LEU HG H 1 1.370 0.020 A 20 ASP H H 1 9.411 0.020 A 20 ASP HA H 1 4.874 0.020 A 20 ASP HBx H 1 2.499 0.020 A 20 ASP HBy H 1 2.499 0.020 A 21 CYS H H 1 8.705 0.020 A 21 CYS HA H 1 5.292 0.020 A 21 CYS HB2 H 1 3.098 0.020 A 21 CYS HB3 H 1 3.242 0.020 A 22 PRO HA H 1 4.440 0.020 A 22 PRO HBx H 1 2.226 0.020 A 22 PRO HBy H 1 2.226 0.020 A 22 PRO HD2 H 1 4.012 0.020 A 22 PRO HD3 H 1 3.595 0.020 A 22 PRO HG2 H 1 1.937 0.020 A 22 PRO HG3 H 1 2.053 0.020 A 23 LEU H H 1 8.152 0.020 A 23 LEU HA H 1 4.275 0.020 A 23 LEU HBx H 1 1.575 0.020 A 23 LEU HBy H 1 1.575 0.020 A 23 LEU HDx% H 1 0.846 0.020 A 23 LEU HDy% H 1 0.904 0.020 A 23 LEU HG H 1 1.575 0.020 A 24 ALA H H 1 7.469 0.020 A 24 ALA HA H 1 4.388 0.020 A 24 ALA HB% H 1 1.199 0.020 A 25 PHE H H 1 8.430 0.020 A 25 PHE HA H 1 4.390 0.020 A 25 PHE HB2 H 1 3.100 0.020 A 25 PHE HB3 H 1 3.221 0.020 A 25 PHE HDx H 1 7.355 0.020 A 25 PHE HDy H 1 7.355 0.020 A 25 PHE HEx H 1 7.413 0.020 A 25 PHE HEy H 1 7.413 0.020 A 26 ILE H H 1 7.795 0.020 A 26 ILE HA H 1 4.287 0.020 A 26 ILE HB H 1 1.760 0.020 A 26 ILE HD1% H 1 0.603 0.020 A 26 ILE HG1x H 1 1.360 0.020 A 26 ILE HG1y H 1 1.360 0.020 A 26 ILE HG2% H 1 0.848 0.020 A 27 PRO HA H 1 4.339 0.020 A 27 PRO HBx H 1 1.150 0.020 A 27 PRO HBy H 1 1.150 0.020 A 27 PRO HD2 H 1 3.610 0.020 A 27 PRO HD3 H 1 3.543 0.020 A 27 PRO HG2 H 1 1.910 0.020 A 27 PRO HG3 H 1 2.070 0.020 A 28 TYR H H 1 7.360 0.020 A 28 TYR HA H 1 5.060 0.020 A 28 TYR HB2 H 1 2.465 0.020 A 28 TYR HB3 H 1 2.636 0.020 A 28 TYR HDx H 1 6.904 0.020 A 28 TYR HDy H 1 6.904 0.020 A 28 TYR HEx H 1 6.702 0.020 A 28 TYR HEy H 1 6.702 0.020 A 29 CYS H H 1 8.706 0.020 A 29 CYS HA H 1 4.761 0.020 A 29 CYS HB2 H 1 2.658 0.020 A 29 CYS HB3 H 1 3.304 0.020 A 30 GLU H H 1 9.310 0.020 A 30 GLU HA H 1 5.044 0.020 A 30 GLU HB2 H 1 2.039 0.020 A 30 GLU HB3 H 1 2.127 0.020 A 30 GLU HG2 H 1 2.502 0.020 A 30 GLU HG3 H 1 2.556 0.020 A 31 LYS H H 1 8.862 0.020 A 31 LYS HA H 1 4.288 0.020 A 31 LYS HB2 H 1 1.674 0.020 A 31 LYS HB3 H 1 1.774 0.020 A 31 LYS HG2 H 1 1.340 0.020 A 31 LYS HG3 H 1 1.450 0.020 A 32 TYR H H 1 8.231 0.020 A 32 TYR HA H 1 4.534 0.020 A 32 TYR HB2 H 1 2.821 0.020 A 32 TYR HB3 H 1 2.886 0.020 A 32 TYR HDx H 1 7.010 0.020 A 32 TYR HDy H 1 7.010 0.020 A 32 TYR HEx H 1 6.690 0.020 A 32 TYR HEy H 1 6.690 0.020 A 33 ARG H H 1 8.355 0.020 A 33 ARG HA H 1 4.156 0.020 A 33 ARG HB2 H 1 1.533 0.020 A 33 ARG HB3 H 1 1.608 0.020 A 33 ARG HG2 H 1 1.767 0.020 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 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 11 TRP HE1 A 27 PRO HD3 1.0 0.0 5.24 2 2 A 11 TRP HE1 A 27 PRO HD2 1.0 0.0 5.23 3 3 A 11 TRP HE1 A 26 ILE HA 1.0 0.0 4.73 4 4 A 11 TRP HE1 A 11 TRP HZ2 1.0 0.0 4.40 5 5 A 16 CYS H A 16 CYS HB3 1.0 0.0 3.93 6 6 A 16 CYS H A 2 CYS HB3 1.0 0.0 4.30 7 7 A 16 CYS H A 16 CYS HB2 1.0 0.0 4.19 8 8 A 16 CYS H A 4 LYS HA 1.0 0.0 5.23 9 9 A 16 CYS H A 16 CYS HA 1.0 0.0 4.12 10 10 A 16 CYS H A 2 CYS HA 1.0 0.0 4.98 11 11 A 16 CYS H A 15 CYS HA 1.0 0.0 3.45 12 12 A 16 CYS H A 3 ALA H 1.0 0.0 4.56 13 13 A 16 CYS H A 15 CYS H 1.0 0.0 5.50 14 14 A 16 CYS H A 17 HIS H 1.0 0.0 4.72 15 15 A 19 LEU HDy% A 20 ASP H 1.0 0.0 4.25 16 16 A 20 ASP H A 19 LEU HB3 1.0 0.0 4.13 17 17 A 20 ASP H A 19 LEU HB2 1.0 0.0 4.23 18 18 A 20 ASP H A 20 ASP HBx 1.0 0.0 3.69 19 18 A 20 ASP H A 20 ASP HBy 1.0 0.0 3.69 20 19 A 20 ASP H A 31 LYS HA 1.0 0.0 4.71 21 20 A 20 ASP H A 20 ASP HA 1.0 0.0 4.44 22 21 A 20 ASP H A 19 LEU HA 1.0 0.0 3.59 23 22 A 20 ASP H A 30 GLU H 1.0 0.0 4.33 24 23 A 20 ASP H A 21 CYS H 1.0 0.0 4.87 25 24 A 20 ASP H A 32 TYR H 1.0 0.0 5.47 26 25 A 30 GLU H A 21 CYS H 1.0 0.0 5.13 27 26 A 30 GLU H A 21 CYS HA 1.0 0.0 4.77 28 27 A 30 GLU H A 30 GLU HA 1.0 0.0 4.12 29 28 A 30 GLU H A 29 CYS HA 1.0 0.0 4.21 30 29 A 30 GLU H A 29 CYS HB2 1.0 0.0 4.61 31 30 A 30 GLU H A 29 CYS HB3 1.0 0.0 4.33 32 31 A 30 GLU H A 30 GLU HG2 1.0 0.0 4.01 33 32 A 30 GLU H A 30 GLU HB3 1.0 0.0 4.39 34 33 A 30 GLU H A 30 GLU HB2 1.0 0.0 4.17 35 34 A 19 LEU HB3 A 30 GLU H 1.0 0.0 4.83 36 35 A 19 LEU HDy% A 30 GLU H 1.0 0.0 4.78 37 36 A 15 CYS H A 15 CYS HB3 1.0 0.0 3.90 38 37 A 15 CYS H A 15 CYS HB2 1.0 0.0 4.07 39 38 A 15 CYS HA A 15 CYS H 1.0 0.0 4.19 40 39 A 15 CYS H A 14 LYS H 1.0 0.0 4.85 41 40 A 6 GLY H A 29 CYS H 1.0 0.0 4.76 42 41 A 6 GLY H A 5 GLU H 1.0 0.0 4.68 43 42 A 6 GLY H A 7 GLU H 1.0 0.0 4.26 44 43 A 3 ALA H A 2 CYS H 1.0 0.0 4.37 45 44 A 3 ALA H A 4 LYS H 1.0 0.0 5.42 46 45 A 15 CYS HA A 3 ALA H 1.0 0.0 4.06 47 46 A 2 CYS HA A 3 ALA H 1.0 0.0 3.54 48 47 A 16 CYS HA A 3 ALA H 1.0 0.0 4.29 49 48 A 3 ALA H A 3 ALA HA 1.0 0.0 4.28 50 49 A 6 GLY H A 6 GLY HA2 1.0 0.0 3.77 51 50 A 6 GLY H A 6 GLY HA3 1.0 0.0 3.87 52 51 A 6 GLY H A 5 GLU HA 1.0 0.0 3.58 53 52 A 29 CYS HB2 A 6 GLY H 1.0 0.0 4.30 54 53 A 3 ALA H A 2 CYS HB2 1.0 0.0 3.74 55 54 A 2 CYS HB3 A 3 ALA H 1.0 0.0 3.80 56 55 A 29 CYS HB3 A 6 GLY H 1.0 0.0 4.44 57 56 A 6 GLY H A 28 TYR HB3 1.0 0.0 4.81 58 57 A 6 GLY H A 5 GLU HG2 1.0 0.0 4.19 59 58 A 6 GLY H A 5 GLU HG3 1.0 0.0 4.34 60 59 A 6 GLY H A 5 GLU HBx 1.0 0.0 3.95 61 59 A 6 GLY H A 5 GLU HBy 1.0 0.0 3.95 62 60 A 6 GLY H A 3 ALA HB% 1.0 0.0 5.08 63 61 A 3 ALA H A 3 ALA HB% 1.0 0.0 3.43 64 62 A 19 LEU HDy% A 6 GLY H 1.0 0.0 5.18 65 63 A 32 TYR H A 31 LYS H 1.0 0.0 4.90 66 64 A 30 GLU HA A 31 LYS H 1.0 0.0 3.54 67 65 A 31 LYS HA A 31 LYS H 1.0 0.0 4.24 68 66 A 30 GLU HB2 A 31 LYS H 1.0 0.0 4.00 69 67 A 30 GLU HB3 A 31 LYS H 1.0 0.0 4.08 70 68 A 31 LYS H A 31 LYS HB2 1.0 0.0 4.08 71 69 A 31 LYS H A 31 LYS HB3 1.0 0.0 3.67 72 70 A 31 LYS H A 31 LYS HG2 1.0 0.0 4.14 73 71 A 31 LYS H A 31 LYS HG3 1.0 0.0 4.38 74 72 A 19 LEU HDy% A 31 LYS H 1.0 0.0 4.41 75 73 A 29 CYS H A 3 ALA HB% 1.0 0.0 4.70 76 74 A 29 CYS HB3 A 29 CYS H 1.0 0.0 3.84 77 75 A 21 CYS H A 21 CYS HB3 1.0 0.0 3.75 78 76 A 17 HIS HB3 A 18 GLY H 1.0 0.0 3.93 79 77 A 21 CYS H A 21 CYS HB2 1.0 0.0 3.71 80 78 A 29 CYS HB2 A 29 CYS H 1.0 0.0 3.45 81 79 A 18 GLY H A 18 GLY HA3 1.0 0.0 3.37 82 80 A 21 CYS H A 22 PRO HD3 1.0 0.0 4.54 83 81 A 18 GLY H A 17 HIS HB2 1.0 0.0 3.74 84 82 A 18 GLY H A 18 GLY HA2 1.0 0.0 3.54 85 83 A 21 CYS H A 22 PRO HD2 1.0 0.0 5.38 86 84 A 29 CYS H A 8 VAL HA 1.0 0.0 4.20 87 85 A 18 GLY H A 17 HIS HA 1.0 0.0 3.18 88 86 A 20 ASP HA A 21 CYS H 1.0 0.0 3.31 89 87 A 29 CYS H A 28 TYR HA 1.0 0.0 3.45 90 88 A 21 CYS H A 21 CYS HA 1.0 0.0 4.20 91 89 A 17 HIS H A 18 GLY H 1.0 0.0 4.15 92 90 A 29 CYS H A 7 GLU H 1.0 0.0 4.98 93 91 A 29 CYS H A 9 CYS H 1.0 0.0 5.17 94 92 A 18 GLY H A 19 LEU H 1.0 0.0 3.77 95 93 A 29 CYS H A 28 TYR H 1.0 0.0 4.90 96 94 A 11 TRP H A 11 TRP HD1 1.0 0.0 4.75 97 95 A 11 TRP H A 11 TRP HE3 1.0 0.0 5.50 98 96 A 14 LYS H A 13 SER H 1.0 0.0 4.75 99 97 A 11 TRP H A 10 GLY H 1.0 0.0 4.54 100 98 A 11 TRP H A 12 GLY H 1.0 0.0 4.04 101 99 A 25 PHE H A 26 ILE H 1.0 0.0 4.21 102 100 A 13 SER H A 12 GLY H 1.0 0.0 3.87 103 101 A 25 PHE H A 24 ALA H 1.0 0.0 5.33 104 102 A 25 PHE H A 25 PHE HD% 1.0 0.0 4.37 105 103 A 29 CYS H A 28 TYR HD% 1.0 0.0 4.89 106 104 A 33 ARG H A 32 TYR HDx 1.0 0.0 4.73 107 104 A 33 ARG H A 32 TYR HDy 1.0 0.0 4.73 108 105 A 28 TYR HD% A 8 VAL H 1.0 0.0 4.60 109 106 A 8 VAL H A 28 TYR HE% 1.0 0.0 5.16 110 107 A 2 CYS HA A 2 CYS H 1.0 0.0 3.96 111 108 A 21 CYS H A 29 CYS HA 1.0 0.0 4.84 112 109 A 14 LYS H A 13 SER HA 1.0 0.0 3.24 113 110 A 16 CYS HA A 17 HIS H 1.0 0.0 3.54 114 111 A 2 CYS H A 1 ASN HA 1.0 0.0 3.56 115 112 A 11 TRP H A 10 GLY HA2 1.0 0.0 3.86 116 113 A 11 TRP H A 10 GLY HA3 1.0 0.0 3.84 117 114 A 14 LYS H A 13 SER HB2 1.0 0.0 4.39 118 115 A 14 LYS H A 13 SER HB3 1.0 0.0 4.50 119 116 A 16 CYS HB2 A 17 HIS H 1.0 0.0 3.81 120 117 A 2 CYS H A 2 CYS HB2 1.0 0.0 3.41 121 118 A 2 CYS HB3 A 2 CYS H 1.0 0.0 3.75 122 119 A 2 CYS H A 1 ASN HB3 1.0 0.0 4.72 123 120 A 14 LYS H A 14 LYS HB3 1.0 0.0 3.64 124 121 A 14 LYS H A 14 LYS HB2 1.0 0.0 4.07 125 122 A 14 LYS H A 14 LYS HGy 1.0 0.0 3.89 126 123 A 14 LYS H A 3 ALA HB% 1.0 0.0 4.89 127 124 A 25 PHE H A 24 ALA HB% 1.0 0.0 3.72 128 125 A 19 LEU HDy% A 5 GLU H 1.0 0.0 4.46 129 126 A 25 PHE H A 25 PHE HB3 1.0 0.0 3.82 130 127 A 25 PHE H A 25 PHE HB2 1.0 0.0 3.70 131 128 A 12 GLY H A 11 TRP HB2 1.0 0.0 4.36 132 129 A 12 GLY H A 12 GLY HA3 1.0 0.0 3.46 133 130 A 5 GLU H A 5 GLU HA 1.0 0.0 4.20 134 131 A 12 GLY H A 10 GLY HA3 1.0 0.0 4.87 135 132 A 12 GLY H A 12 GLY HA2 1.0 0.0 3.53 136 133 A 5 GLU H A 3 ALA HB% 1.0 0.0 4.65 137 134 A 3 ALA HB% A 8 VAL H 1.0 0.0 4.52 138 135 A 4 LYS H A 3 ALA HB% 1.0 0.0 3.67 139 136 A 7 GLU H A 3 ALA HB% 1.0 0.0 4.25 140 137 A 24 ALA HB% A 23 LEU H 1.0 0.0 4.51 141 138 A 19 LEU HDy% A 32 TYR H 1.0 0.0 4.32 142 139 A 5 GLU H A 5 GLU HG3 1.0 0.0 4.19 143 140 A 5 GLU H A 5 GLU HG2 1.0 0.0 4.32 144 141 A 4 LYS HA A 5 GLU H 1.0 0.0 3.59 145 142 A 33 ARG H A 33 ARG HA 1.0 0.0 4.00 146 143 A 4 LYS HA A 4 LYS H 1.0 0.0 3.99 147 144 A 25 PHE H A 25 PHE HA 1.0 0.0 3.17 148 145 A 11 TRP H A 11 TRP HA 1.0 0.0 3.70 149 146 A 8 VAL H A 7 GLU HA 1.0 0.0 3.63 150 147 A 33 ARG H A 32 TYR HA 1.0 0.0 3.31 151 148 A 33 ARG H A 32 TYR HB3 1.0 0.0 4.69 152 149 A 33 ARG H A 32 TYR HB2 1.0 0.0 4.79 153 150 A 32 TYR H A 32 TYR HB2 1.0 0.0 4.00 154 151 A 32 TYR H A 32 TYR HB3 1.0 0.0 3.90 155 152 A 8 VAL H A 7 GLU HBx 1.0 0.0 3.94 156 152 A 8 VAL H A 7 GLU HBy 1.0 0.0 3.94 157 153 A 8 VAL H A 8 VAL HB 1.0 0.0 3.70 158 154 A 28 TYR HA A 8 VAL H 1.0 0.0 5.50 159 155 A 19 LEU HA A 32 TYR H 1.0 0.0 4.16 160 156 A 32 TYR H A 32 TYR HDx 1.0 0.0 4.90 161 156 A 32 TYR H A 32 TYR HDy 1.0 0.0 4.90 162 157 A 24 ALA H A 23 LEU H 1.0 0.0 5.01 163 158 A 9 CYS H A 28 TYR HD% 1.0 0.0 4.82 164 159 A 7 GLU H A 28 TYR HD% 1.0 0.0 5.50 165 160 A 13 SER H A 10 GLY H 1.0 0.0 4.84 166 161 A 11 TRP HE3 A 11 TRP HZ3 1.0 0.0 3.58 167 162 A 11 TRP HZ2 A 11 TRP HH2 1.0 0.0 3.63 168 163 A 11 TRP HZ3 A 11 TRP HH2 1.0 0.0 3.41 169 164 A 28 TYR H A 28 TYR HD% 1.0 0.0 4.51 170 165 A 28 TYR HA A 9 CYS H 1.0 0.0 4.06 171 166 A 9 CYS H A 9 CYS HA 1.0 0.0 3.51 172 167 A 19 LEU HA A 19 LEU H 1.0 0.0 4.13 173 168 A 13 SER H A 13 SER HA 1.0 0.0 4.05 174 169 A 28 TYR HA A 28 TYR H 1.0 0.0 4.48 175 170 A 28 TYR HD% A 7 GLU HA 1.0 0.0 4.61 176 171 A 32 TYR HA A 32 TYR HDx 1.0 0.0 3.74 177 171 A 32 TYR HA A 32 TYR HDy 1.0 0.0 3.74 178 172 A 8 VAL HA A 28 TYR HD% 1.0 0.0 3.91 179 173 A 8 VAL HA A 28 TYR HE% 1.0 0.0 4.45 180 174 A 6 GLY HA2 A 28 TYR HD% 1.0 0.0 4.85 181 175 A 11 TRP HD1 A 11 TRP HA 1.0 0.0 4.18 182 176 A 26 ILE HA A 11 TRP HD1 1.0 0.0 4.70 183 177 A 11 TRP HD1 A 10 GLY HA2 1.0 0.0 5.50 184 178 A 11 TRP HD1 A 10 GLY HA3 1.0 0.0 5.50 185 179 A 27 PRO HD2 A 11 TRP HD1 1.0 0.0 4.68 186 180 A 27 PRO HD3 A 11 TRP HD1 1.0 0.0 4.91 187 181 A 6 GLY HA3 A 28 TYR HD% 1.0 0.0 4.28 188 182 A 11 TRP HD1 A 11 TRP HB2 1.0 0.0 4.24 189 183 A 11 TRP HD1 A 11 TRP HB3 1.0 0.0 4.18 190 184 A 32 TYR HB2 A 32 TYR HDx 1.0 0.0 3.62 191 184 A 32 TYR HB2 A 32 TYR HDy 1.0 0.0 3.62 192 185 A 32 TYR HB3 A 32 TYR HDx 1.0 0.0 3.75 193 185 A 32 TYR HB3 A 32 TYR HDy 1.0 0.0 3.75 194 186 A 1 ASN HB2 A 1 ASN HD22 1.0 0.0 4.23 195 187 A 28 TYR H A 28 TYR HB2 1.0 0.0 4.05 196 188 A 28 TYR HB3 A 28 TYR H 1.0 0.0 4.35 197 189 A 20 ASP HBy A 32 TYR HDx 1.0 0.0 4.33 198 189 A 20 ASP HBx A 32 TYR HDy 1.0 0.0 4.33 199 189 A 20 ASP HBy A 32 TYR HDy 1.0 0.0 4.33 200 189 A 32 TYR HDx A 20 ASP HBx 1.0 0.0 4.33 201 190 A 28 TYR HE% A 26 ILE HB 1.0 0.0 4.59 202 191 A 26 ILE H A 26 ILE HD1% 1.0 0.0 4.41 203 192 A 19 LEU HDy% A 19 LEU H 1.0 0.0 4.42 204 193 A 24 ALA H A 24 ALA HB% 1.0 0.0 3.78 205 194 A 19 LEU H A 19 LEU HG 1.0 0.0 3.86 206 195 A 19 LEU HB3 A 19 LEU H 1.0 0.0 3.99 207 196 A 26 ILE H A 24 ALA HB% 1.0 0.0 4.04 208 197 A 26 ILE H A 26 ILE HG1x 1.0 0.0 4.22 209 197 A 26 ILE H A 26 ILE HG1y 1.0 0.0 4.22 210 198 A 24 ALA H A 23 LEU HBx 1.0 0.0 3.79 211 198 A 24 ALA H A 23 LEU HBy 1.0 0.0 3.79 212 199 A 29 CYS HB3 A 7 GLU H 1.0 0.0 4.46 213 200 A 7 GLU H A 28 TYR HB3 1.0 0.0 5.26 214 201 A 16 CYS HB3 A 17 HIS H 1.0 0.0 3.95 215 202 A 23 LEU H A 23 LEU HBx 1.0 0.0 3.31 216 202 A 23 LEU H A 23 LEU HBy 1.0 0.0 3.31 217 203 A 9 CYS H A 8 VAL HB 1.0 0.0 3.91 218 204 A 26 ILE H A 26 ILE HB 1.0 0.0 3.85 219 205 A 28 TYR HD% A 26 ILE HB 1.0 0.0 5.50 220 206 A 7 GLU H A 7 GLU HA 1.0 0.0 3.90 221 207 A 23 LEU H A 22 PRO HA 1.0 0.0 3.21 222 208 A 4 LYS H A 3 ALA HA 1.0 0.0 3.14 223 209 A 23 LEU H A 23 LEU HA 1.0 0.0 3.45 224 210 A 31 LYS HA A 32 TYR H 1.0 0.0 3.33 225 211 A 8 VAL HA A 8 VAL H 1.0 0.0 3.44 226 212 A 8 VAL HA A 9 CYS H 1.0 0.0 3.38 227 213 A 10 GLY H A 10 GLY HA2 1.0 0.0 3.84 228 214 A 10 GLY H A 10 GLY HA3 1.0 0.0 3.57 229 215 A 26 ILE H A 25 PHE HA 1.0 0.0 4.15 230 216 A 26 ILE HA A 26 ILE H 1.0 0.0 4.09 231 217 A 17 HIS HA A 19 LEU H 1.0 0.0 3.88 232 218 A 18 GLY HA2 A 19 LEU H 1.0 0.0 4.12 233 219 A 11 TRP HE3 A 11 TRP HA 1.0 0.0 4.21 234 220 A 24 ALA H A 23 LEU HA 1.0 0.0 3.32 235 221 A 24 ALA H A 24 ALA HA 1.0 0.0 3.89 236 222 A 25 PHE HD% A 25 PHE HA 1.0 0.0 3.58 237 223 A 28 TYR H A 27 PRO HA 1.0 0.0 3.35 238 224 A 13 SER H A 12 GLY HA2 1.0 0.0 4.26 239 225 A 13 SER H A 13 SER HB2 1.0 0.0 4.16 240 226 A 13 SER H A 12 GLY HA3 1.0 0.0 4.16 241 227 A 7 GLU H A 5 GLU HA 1.0 0.0 4.28 242 228 A 7 GLU H A 6 GLY HA3 1.0 0.0 4.21 243 229 A 29 CYS HB2 A 7 GLU H 1.0 0.0 4.38 244 230 A 9 CYS H A 9 CYS HB3 1.0 0.0 3.52 245 231 A 9 CYS H A 9 CYS HB2 1.0 0.0 3.73 246 232 A 26 ILE H A 25 PHE HB3 1.0 0.0 3.98 247 233 A 26 ILE H A 25 PHE HB2 1.0 0.0 4.09 248 234 A 1 ASN HB2 A 1 ASN HD21 1.0 0.0 4.63 249 235 A 1 ASN HB3 A 1 ASN HD21 1.0 0.0 5.00 250 236 A 11 TRP HE3 A 11 TRP HB3 1.0 0.0 4.02 251 237 A 11 TRP HE3 A 11 TRP HB2 1.0 0.0 3.95 252 238 A 25 PHE HB2 A 25 PHE HE% 1.0 0.0 4.47 253 239 A 25 PHE HB3 A 25 PHE HE% 1.0 0.0 4.53 254 240 A 25 PHE HD% A 25 PHE HB3 1.0 0.0 3.69 255 241 A 25 PHE HD% A 25 PHE HB2 1.0 0.0 3.91 256 242 A 22 PRO HD3 A 28 TYR H 1.0 0.0 4.40 257 243 A 18 GLY HA3 A 19 LEU H 1.0 0.0 4.09 258 244 A 13 SER H A 13 SER HB3 1.0 0.0 3.85 259 245 A 10 GLY H A 13 SER HB3 1.0 0.0 4.58 260 246 A 7 GLU H A 7 GLU HG2 1.0 0.0 4.01 261 247 A 7 GLU H A 7 GLU HG3 1.0 0.0 4.00 262 248 A 7 GLU H A 7 GLU HBx 1.0 0.0 3.67 263 248 A 7 GLU H A 7 GLU HBy 1.0 0.0 3.67 264 249 A 4 LYS H A 4 LYS HB3 1.0 0.0 3.63 265 249 A 4 LYS H A 4 LYS HB2 1.0 0.0 3.63 266 250 A 4 LYS H A 7 GLU HBx 1.0 0.0 3.81 267 250 A 4 LYS H A 7 GLU HBy 1.0 0.0 3.81 268 251 A 4 LYS H A 7 GLU HG3 1.0 0.0 4.13 269 252 A 4 LYS H A 7 GLU HG2 1.0 0.0 3.88 270 253 A 19 LEU HB2 A 19 LEU H 1.0 0.0 3.77 271 254 A 33 ARG H A 33 ARG HGy 1.0 0.0 3.89 272 255 A 10 GLY H A 11 TRP HA 1.0 0.0 4.57 273 256 A 4 LYS H A 4 LYS HGx 1.0 0.0 3.69 274 257 A 4 LYS H A 4 LYS HGy 1.0 0.0 3.51 275 258 A 30 GLU H A 30 GLU HG3 1.0 0.0 4.19 276 259 A 26 ILE H A 26 ILE HG2% 1.0 0.0 3.89 277 260 A 19 LEU H A 19 LEU HDx% 1.0 0.0 4.45 278 261 A 23 LEU H A 23 LEU HDx% 1.0 0.0 3.89 279 262 A 23 LEU H A 23 LEU HDy% 1.0 0.0 4.33 280 263 A 21 CYS HA A 22 PRO HD2 1.0 0.0 3.98 281 264 A 21 CYS HA A 22 PRO HD3 1.0 0.0 3.60 282 265 A 21 CYS HA A 21 CYS HB2 1.0 0.0 4.30 283 266 A 21 CYS HA A 21 CYS HB3 1.0 0.0 3.83 284 267 A 21 CYS HA A 22 PRO HG2 1.0 0.0 4.03 285 268 A 21 CYS HA A 22 PRO HG3 1.0 0.0 4.08 286 269 A 30 GLU HA A 30 GLU HB3 1.0 0.0 3.56 287 270 A 20 ASP HA A 20 ASP HBx 1.0 0.0 3.32 288 270 A 20 ASP HBy A 20 ASP HA 1.0 0.0 3.32 289 271 A 2 CYS HB3 A 2 CYS HA 1.0 0.0 3.63 290 272 A 28 TYR HA A 28 TYR HB2 1.0 0.0 3.60 291 273 A 22 PRO HA A 22 PRO HBx 1.0 0.0 3.42 292 273 A 22 PRO HA A 22 PRO HBy 1.0 0.0 3.42 293 274 A 7 GLU HA A 7 GLU HG2 1.0 0.0 3.67 294 275 A 7 GLU HA A 7 GLU HG3 1.0 0.0 3.62 295 276 A 13 SER HA A 13 SER HB2 1.0 0.0 4.12 296 277 A 13 SER HA A 13 SER HB3 1.0 0.0 3.80 297 278 A 30 GLU HA A 30 GLU HB2 1.0 0.0 3.31 298 279 A 30 GLU HA A 5 GLU HG3 1.0 0.0 4.27 299 280 A 22 PRO HA A 22 PRO HG3 1.0 0.0 4.16 300 281 A 22 PRO HA A 22 PRO HG2 1.0 0.0 3.89 301 282 A 2 CYS HA A 2 CYS HB2 1.0 0.0 3.67 302 283 A 22 PRO HD2 A 22 PRO HG2 1.0 0.0 3.99 303 284 A 22 PRO HD2 A 22 PRO HG3 1.0 0.0 4.04 304 285 A 19 LEU HDy% A 5 GLU HA 1.0 0.0 4.12 305 286 A 29 CYS HB2 A 5 GLU HA 1.0 0.0 4.02 306 287 A 5 GLU HA A 5 GLU HG2 1.0 0.0 3.99 307 288 A 29 CYS HB3 A 5 GLU HA 1.0 0.0 4.12 308 289 A 5 GLU HA A 5 GLU HBx 1.0 0.0 3.09 309 289 A 5 GLU HA A 5 GLU HBy 1.0 0.0 3.09 310 290 A 5 GLU HA A 5 GLU HG3 1.0 0.0 3.99 311 291 A 27 PRO HD2 A 27 PRO HG2 1.0 0.0 3.88 312 292 A 26 ILE HB A 26 ILE HD1% 1.0 0.0 3.37 313 293 A 19 LEU HDy% A 31 LYS HB3 1.0 0.0 3.89 314 294 A 19 LEU HDy% A 19 LEU HB2 1.0 0.0 3.82 315 295 A 19 LEU HDy% A 19 LEU HB3 1.0 0.0 3.79 316 296 A 26 ILE HD1% A 26 ILE HG1x 1.0 0.0 3.92 317 296 A 26 ILE HD1% A 26 ILE HG1y 1.0 0.0 3.92 318 297 A 19 LEU HDy% A 19 LEU HG 1.0 0.0 3.29 319 298 A 19 LEU HG A 19 LEU HDx% 1.0 0.0 2.92 320 299 A 19 LEU HB3 A 19 LEU HDx% 1.0 0.0 5.50 321 300 A 19 LEU HB3 A 19 LEU HB2 1.0 0.0 3.31 322 301 A 19 LEU HB2 A 19 LEU HG 1.0 0.0 4.08 323 302 A 4 LYS HGx A 4 LYS HB3 1.0 0.0 3.13 324 302 A 4 LYS HB2 A 4 LYS HGx 1.0 0.0 3.13 325 303 A 4 LYS HGy A 4 LYS HB3 1.0 0.0 4.37 326 303 A 4 LYS HB2 A 4 LYS HGy 1.0 0.0 4.37 327 304 A 4 LYS HB3 A 4 LYS HDy 1.0 0.0 4.06 328 304 A 4 LYS HB2 A 4 LYS HDy 1.0 0.0 4.06 329 304 A 4 LYS HDx A 4 LYS HB3 1.0 0.0 4.06 330 304 A 4 LYS HB2 A 4 LYS HDx 1.0 0.0 4.06 331 305 A 27 PRO HD2 A 24 ALA HB% 1.0 0.0 4.55 332 306 A 27 PRO HD3 A 24 ALA HB% 1.0 0.0 4.67 333 307 A 14 LYS H A 14 LYS HA 1.0 0.0 4.03 334 308 A 7 GLU H A 6 GLY HA2 1.0 0.0 4.31 335 309 A 11 TRP H A 11 TRP HB3 1.0 0.0 3.67 336 310 A 11 TRP H A 11 TRP HB2 1.0 0.0 3.27 337 311 A 32 TYR H A 32 TYR HA 1.0 0.0 3.87 338 312 A 15 CYS HB3 A 19 LEU H 1.0 0.0 4.47 339 313 A 15 CYS HB2 A 19 LEU H 1.0 0.0 4.35 340 314 A 31 LYS H A 31 LYS HEx 1.0 0.0 5.46 341 314 A 31 LYS H A 31 LYS HEy 1.0 0.0 5.46 342 315 A 32 TYR HB3 A 32 TYR HE% 1.0 0.0 5.50 343 316 A 32 TYR HB2 A 32 TYR HE% 1.0 0.0 5.50 344 317 A 32 TYR HA A 32 TYR HE% 1.0 0.0 5.50 345 318 A 33 ARG H A 33 ARG HDy 1.0 0.0 4.74 346 319 A 33 ARG H A 33 ARG HB2 1.0 0.0 3.61 347 320 A 33 ARG H A 33 ARG HB3 1.0 0.0 3.73 348 321 A 27 PRO HD3 A 26 ILE H 1.0 0.0 4.83 349 322 A 27 PRO HD2 A 26 ILE H 1.0 0.0 4.73 350 323 A 16 CYS HB2 A 16 CYS HA 1.0 0.0 4.31 351 324 A 32 TYR HA A 32 TYR HB3 1.0 0.0 3.88 352 325 A 32 TYR HA A 32 TYR HB2 1.0 0.0 3.66 353 326 A 9 CYS HA A 9 CYS HB2 1.0 0.0 3.82 354 327 A 9 CYS HA A 9 CYS HB3 1.0 0.0 3.69 355 328 A 3 ALA HA A 3 ALA HB% 1.0 0.0 3.22 356 329 A 4 LYS HA A 4 LYS HB3 1.0 0.0 3.59 357 330 A 4 LYS HA A 4 LYS HDy 1.0 0.0 3.86 358 331 A 4 LYS HA A 4 LYS HGx 1.0 0.0 3.30 359 332 A 31 LYS HA A 31 LYS HB2 1.0 0.0 3.40 360 333 A 16 CYS HA A 2 CYS HB2 1.0 0.0 3.24 361 334 A 2 CYS HB3 A 16 CYS HA 1.0 0.0 3.84 362 335 A 22 PRO HD3 A 22 PRO HD2 1.0 0.0 3.27 363 336 A 22 PRO HD2 A 22 PRO HG2 1.0 0.0 3.56 364 337 A 22 PRO HD2 A 22 PRO HG3 1.0 0.0 3.42 365 338 A 22 PRO HD2 A 22 PRO HBx 1.0 0.0 4.38 366 338 A 22 PRO HD2 A 22 PRO HBy 1.0 0.0 4.38 367 339 A 21 CYS HB2 A 22 PRO HD2 1.0 0.0 4.78 368 340 A 21 CYS HB3 A 22 PRO HD2 1.0 0.0 4.67 369 341 A 31 LYS HA A 31 LYS HG2 1.0 0.0 3.92 370 342 A 31 LYS HA A 31 LYS HB3 1.0 0.0 3.43 371 343 A 27 PRO HD3 A 24 ALA H 1.0 0.0 5.50 372 344 A 27 PRO HD2 A 24 ALA H 1.0 0.0 5.24 373 345 A 20 ASP H A 19 LEU H 1.0 0.0 5.50 374 346 A 20 ASP H A 32 TYR HDx 1.0 0.0 5.50 375 347 A 32 TYR HE% A 20 ASP HBx 1.0 0.0 5.29 376 347 A 20 ASP HBy A 32 TYR HE% 1.0 0.0 5.29 377 348 A 30 GLU H A 31 LYS H 1.0 0.0 5.50 378 349 A 9 CYS H A 8 VAL H 1.0 0.0 5.16 379 350 A 9 CYS H A 28 TYR HE% 1.0 0.0 5.23 380 351 A 6 GLY H A 28 TYR HD% 1.0 0.0 5.32 381 352 A 28 TYR HE% A 7 GLU HA 1.0 0.0 5.26 382 353 A 30 GLU HA A 6 GLY H 1.0 0.0 5.05 383 354 A 7 GLU H A 28 TYR HA 1.0 0.0 4.98 384 355 A 20 ASP H A 19 LEU HG 1.0 0.0 4.94 385 356 A 10 GLY H A 13 SER HA 1.0 0.0 4.55 386 357 A 31 LYS HA A 19 LEU H 1.0 0.0 4.99 387 358 A 11 TRP HD1 A 10 GLY H 1.0 0.0 5.50 388 359 A 19 LEU HDy% A 30 GLU HG2 1.0 0.0 4.66 389 360 A 17 HIS H A 17 HIS HA 1.0 0.0 3.56 390 361 A 6 GLY H A 19 LEU HDx% 1.0 0.0 4.49 391 362 A 11 TRP HD1 A 12 GLY H 1.0 0.0 5.23 392 363 A 29 CYS H A 28 TYR HE% 1.0 0.0 5.50 393 364 A 10 GLY H A 12 GLY H 1.0 0.0 5.27 394 365 A 13 SER H A 9 CYS HA 1.0 0.0 4.87 395 366 A 5 GLU H A 19 LEU HDx% 1.0 0.0 3.83 396 367 A 20 ASP H A 19 LEU HDx% 1.0 0.0 4.58 397 368 A 30 GLU H A 19 LEU HDx% 1.0 0.0 4.68 398 369 A 24 ALA H A 23 LEU HDx% 1.0 0.0 4.87 399 370 A 5 GLU HA A 19 LEU HDx% 1.0 0.0 3.83 400 371 A 16 CYS HB2 A 19 LEU HDx% 1.0 0.0 4.53 401 372 A 23 LEU HDy% A 23 LEU HBx 1.0 0.0 3.30 402 372 A 23 LEU HBy A 23 LEU HDy% 1.0 0.0 3.30 403 373 A 23 LEU HDx% A 23 LEU HBx 1.0 0.0 3.54 404 373 A 23 LEU HBy A 23 LEU HDx% 1.0 0.0 3.54 405 374 A 18 GLY H A 19 LEU HDx% 1.0 0.0 5.22 406 375 A 3 ALA H A 19 LEU HDx% 1.0 0.0 4.68 407 376 A 31 LYS H A 19 LEU HDx% 1.0 0.0 4.73 408 377 A 19 LEU HDy% A 18 GLY H 1.0 0.0 5.11 409 378 A 21 CYS HA A 20 ASP HBx 1.0 0.0 4.18 410 378 A 20 ASP HBy A 21 CYS HA 1.0 0.0 4.18 411 379 A 22 PRO HA A 23 LEU HDy% 1.0 0.0 4.82 412 380 A 22 PRO HA A 23 LEU HDx% 1.0 0.0 4.61 413 381 A 11 TRP HE3 A 10 GLY HA3 1.0 0.0 5.44 414 382 A 11 TRP HE3 A 10 GLY HA2 1.0 0.0 5.47 415 383 A 11 TRP H A 13 SER H 1.0 0.0 4.72 416 384 A 18 GLY H A 19 LEU HG 1.0 0.0 4.54 417 385 A 27 PRO HD3 A 9 CYS H 1.0 0.0 5.40 418 386 A 27 PRO HD2 A 9 CYS H 1.0 0.0 4.70 419 387 A 11 TRP H A 12 GLY HA3 1.0 0.0 5.02 420 388 A 10 GLY H A 23 LEU HDx% 1.0 0.0 4.76 421 389 A 19 LEU HDy% A 29 CYS H 1.0 0.0 5.50 422 390 A 6 GLY HA2 A 28 TYR HE% 1.0 0.0 5.50 423 391 A 5 GLU H A 19 LEU HDx% 1.0 0.0 3.75 424 392 A 9 CYS H A 28 TYR H 1.0 0.0 4.36 425 393 A 27 PRO HD2 A 26 ILE HA 1.0 0.0 4.37 426 394 A 27 PRO HD3 A 26 ILE HA 1.0 0.0 4.68 427 395 A 11 TRP HE3 A 12 GLY H 1.0 0.0 5.50 428 396 A 11 TRP HD1 A 27 PRO HG3 1.0 0.0 4.74 429 397 A 12 GLY H A 13 SER HA 1.0 0.0 4.81 430 398 A 26 ILE H A 25 PHE HE% 1.0 0.0 5.11 431 399 A 8 VAL HA A 28 TYR HA 1.0 0.0 4.08 432 400 A 27 PRO HD2 A 26 ILE HA 1.0 0.0 3.46 433 401 A 27 PRO HD3 A 26 ILE HA 1.0 0.0 3.29 434 402 A 19 LEU HB2 A 19 LEU HDx% 1.0 0.0 4.00 435 403 A 22 PRO HA A 22 PRO HBx 1.0 0.0 4.75 436 403 A 22 PRO HA A 22 PRO HBy 1.0 0.0 4.75 437 404 A 27 PRO HD2 A 27 PRO HG3 1.0 0.0 3.88 438 405 A 27 PRO HD2 A 27 PRO HBx 1.0 0.0 3.91 439 405 A 27 PRO HD2 A 27 PRO HBy 1.0 0.0 3.91 440 406 A 24 ALA H A 22 PRO HA 1.0 0.0 5.42 441 407 A 23 LEU H A 24 ALA HA 1.0 0.0 5.21 442 408 A 21 CYS HB2 A 9 CYS H 1.0 0.0 4.53 443 409 A 27 PRO HD3 A 11 TRP HZ2 1.0 0.0 5.50 444 410 A 27 PRO HD2 A 11 TRP HZ2 1.0 0.0 5.50 445 411 A 11 TRP HA A 11 TRP HZ3 1.0 0.0 5.43 446 412 A 14 LYS H A 10 GLY H 1.0 0.0 5.50 447 413 A 11 TRP HD1 A 27 PRO HBx 1.0 0.0 5.26 448 413 A 11 TRP HD1 A 27 PRO HBy 1.0 0.0 5.26 449 414 A 11 TRP HD1 A 27 PRO HG2 1.0 0.0 5.23 450 415 A 16 CYS HA A 18 GLY H 1.0 0.0 4.73 451 416 A 12 GLY H A 10 GLY HA2 1.0 0.0 4.54 452 417 A 29 CYS H A 7 GLU HA 1.0 0.0 5.36 453 418 A 24 ALA HB% A 27 PRO HA 1.0 0.0 3.43 454 419 A 17 HIS H A 19 LEU HDx% 1.0 0.0 4.13 455 420 A 17 HIS H A 19 LEU HB3 1.0 0.0 5.22 456 421 A 17 HIS H A 19 LEU H 1.0 0.0 5.37 457 422 A 25 PHE H A 27 PRO HG3 1.0 0.0 4.33 458 423 A 4 LYS HA A 19 LEU HDx% 1.0 0.0 3.67 459 424 A 9 CYS H A 27 PRO HBx 1.0 0.0 4.13 460 424 A 9 CYS H A 27 PRO HBy 1.0 0.0 4.13 461 425 A 9 CYS H A 27 PRO HG2 1.0 0.0 4.87 462 426 A 22 PRO HD2 A 24 ALA HB% 1.0 0.0 5.42 463 427 A 24 ALA HB% A 27 PRO HG3 1.0 0.0 3.34 464 428 A 24 ALA HB% A 25 PHE HB2 1.0 0.0 4.20 465 429 A 27 PRO HD3 A 24 ALA HB% 1.0 0.0 4.84 466 430 A 27 PRO HD2 A 24 ALA HB% 1.0 0.0 4.36 467 431 A 24 ALA HB% A 27 PRO HBx 1.0 0.0 3.19 468 431 A 24 ALA HB% A 27 PRO HBy 1.0 0.0 3.19 469 432 A 24 ALA H A 27 PRO HG3 1.0 0.0 4.23 470 433 A 28 TYR H A 27 PRO HBx 1.0 0.0 3.60 471 433 A 28 TYR H A 27 PRO HBy 1.0 0.0 3.60 472 434 A 24 ALA H A 27 PRO HBx 1.0 0.0 4.13 473 434 A 24 ALA H A 27 PRO HBy 1.0 0.0 4.13 474 435 A 16 CYS H A 15 CYS HB3 1.0 0.0 4.21 475 436 A 15 CYS HB2 A 14 LYS H 1.0 0.0 4.98 476 437 A 3 ALA HB% A 13 SER HB3 1.0 0.0 4.40 477 438 A 3 ALA HB% A 13 SER HB2 1.0 0.0 4.28 478 439 A 3 ALA HB% A 13 SER HA 1.0 0.0 4.12 479 440 A 13 SER HB3 A 9 CYS HA 1.0 0.0 4.38 480 441 A 13 SER HB2 A 9 CYS HA 1.0 0.0 4.18 481 442 A 28 TYR HD% A 26 ILE HD1% 1.0 0.0 4.51 482 443 A 28 TYR HE% A 26 ILE HD1% 1.0 0.0 4.09 483 444 A 28 TYR HD% A 8 VAL HB 1.0 0.0 4.29 484 445 A 28 TYR HE% A 8 VAL HB 1.0 0.0 4.37 485 446 A 28 TYR HD% A 27 PRO HBx 1.0 0.0 4.34 486 446 A 28 TYR HD% A 27 PRO HBy 1.0 0.0 4.34 487 447 A 6 GLY HA3 A 28 TYR HE% 1.0 0.0 4.69 488 448 A 19 LEU HDy% A 31 LYS HA 1.0 0.0 3.54 489 449 A 4 LYS HA A 19 LEU HDy% 1.0 0.0 4.75 490 450 A 29 CYS HB3 A 19 LEU HDx% 1.0 0.0 3.88 491 451 A 19 LEU HDy% A 29 CYS HB3 1.0 0.0 4.29 492 452 A 15 CYS H A 29 CYS HB2 1.0 0.0 4.59 493 453 A 13 SER HB2 A 8 VAL HGy% 1.0 0.0 5.26 494 454 A 4 LYS HA A 3 ALA HB% 1.0 0.0 4.29 495 455 A 5 GLU HA A 19 LEU HDx% 1.0 0.0 3.62 496 456 A 19 LEU HDy% A 5 GLU HA 1.0 0.0 3.98 497 457 A 19 LEU HDy% A 5 GLU HBx 1.0 0.0 3.48 498 457 A 19 LEU HDy% A 5 GLU HBy 1.0 0.0 3.48 499 458 A 19 LEU HDy% A 31 LYS HB3 1.0 0.0 3.51 500 459 A 19 LEU HDy% A 31 LYS HB2 1.0 0.0 4.03 501 460 A 24 ALA HB% A 25 PHE HB2 1.0 0.0 4.48 502 461 A 24 ALA HB% A 25 PHE HB3 1.0 0.0 4.60 503 462 A 3 ALA HB% A 13 SER HB2 1.0 0.0 4.67 504 463 A 3 ALA HB% A 13 SER HB3 1.0 0.0 4.85 505 464 A 29 CYS HB3 A 3 ALA HB% 1.0 0.0 4.35 506 465 A 19 LEU HB3 A 29 CYS HB3 1.0 0.0 3.87 507 466 A 11 TRP HE1 A 26 ILE HD1% 1.0 0.0 5.50 508 467 A 30 GLU H A 22 PRO HD3 1.0 0.0 4.77 509 468 A 30 GLU H A 22 PRO HD2 1.0 0.0 4.76 510 469 A 16 CYS H A 3 ALA HB% 1.0 0.0 4.04 511 470 A 16 CYS H A 19 LEU HB2 1.0 0.0 4.78 512 471 A 15 CYS H A 3 ALA HB% 1.0 0.0 4.48 513 472 A 16 CYS H A 19 LEU HDx% 1.0 0.0 4.07 514 473 A 15 CYS H A 14 LYS HA 1.0 0.0 3.40 515 474 A 15 CYS H A 13 SER HA 1.0 0.0 5.50 516 475 A 13 SER H A 9 CYS HB3 1.0 0.0 4.41 517 476 A 20 ASP H A 15 CYS HB2 1.0 0.0 5.07 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 8 VAL C A 9 CYS N A 9 CYS CA A 9 CYS C 1.0 -175.0 -65.0 PHI 2 2 A 19 LEU C A 20 ASP N A 20 ASP CA A 20 ASP C 1.0 -175.0 -65.0 PHI 3 3 A 20 ASP C A 21 CYS N A 21 CYS CA A 21 CYS C 1.0 -175.0 -65.0 PHI 4 4 A 21 CYS C A 22 PRO N A 22 PRO CA A 22 PRO C 1.0 -175.0 -65.0 PHI 5 5 A 27 PRO C A 28 TYR N A 28 TYR CA A 28 TYR C 1.0 -175.0 -65.0 PHI 6 6 A 29 CYS C A 30 GLU N A 30 GLU CA A 30 GLU C 1.0 -175.0 -65.0 PHI stop_ save_