data_nef_c25332_2mwk 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 BMRB 25331 PDB 1CBH PDB 2MWK 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 8 CYS SG 1 25 CYS SG 1 19 CYS SG 1 35 CYS SG 1 1 THR CB 2 1 MAN O1 1 3 SER CB 2 2 MAN O1 1 14 SER CB 2 3 MAN O1 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 THR start . . 2 A 2 GLN middle . . 3 A 3 SER middle . . 4 A 4 HIS middle . . 5 A 5 TYR middle . . 6 A 6 GLY middle . false 7 A 7 GLN middle . . 8 A 8 CYS middle -HG . 9 A 9 GLY middle . false 10 A 10 GLY middle . false 11 A 11 ILE middle . . 12 A 12 GLY middle . false 13 A 13 TYR middle . . 14 A 14 SER middle . . 15 A 15 GLY middle . false 16 A 16 PRO middle . false 17 A 17 THR middle . . 18 A 18 VAL middle . . 19 A 19 CYS middle -HG . 20 A 20 ALA middle . . 21 A 21 SER middle . . 22 A 22 GLY middle . false 23 A 23 THR middle . . 24 A 24 THR middle . . 25 A 25 CYS middle -HG . 26 A 26 GLN middle . . 27 A 27 VAL middle . . 28 A 28 LEU middle . . 29 A 29 ASN middle . . 30 A 30 PRO middle . false 31 A 31 TYR middle . . 32 A 32 TYR middle . . 33 A 33 SER middle . . 34 A 34 GLN middle . . 35 A 35 CYS middle -HG . 36 A 36 LEU end . . 37 B 1 MAN . -HO1 . 38 B 2 MAN . -HO1 . 39 B 3 MAN . -HO1 . 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 THR HA H 1 4.576 0.003 A 1 THR HB H 1 4.148 0.004 A 1 THR HG2% H 1 1.306 0.003 A 2 GLN H H 1 9.375 0.001 A 2 GLN HA H 1 4.927 0.007 A 2 GLN HB2 H 1 1.775 0.003 A 2 GLN HB3 H 1 1.576 0.002 A 2 GLN HE21 H 1 8.869 0.001 A 2 GLN HE22 H 1 7.292 0.006 A 2 GLN HG2 H 1 2.801 0.001 A 2 GLN HG3 H 1 2.325 0.006 A 3 SER H H 1 9.228 0.001 A 3 SER HA H 1 4.469 0.003 A 3 SER HB2 H 1 4.174 0.001 A 3 SER HB3 H 1 3.873 0.007 A 4 HIS H H 1 8.946 0.001 A 4 HIS HA H 1 3.958 0.003 A 4 HIS HB2 H 1 3.102 0.003 A 4 HIS HB3 H 1 2.884 0.004 A 4 HIS HD2 H 1 6.747 0.003 A 4 HIS HE1 H 1 8.507 0.001 A 5 TYR H H 1 9.456 0.001 A 5 TYR HA H 1 4.022 0.001 A 5 TYR HB2 H 1 3.514 0.003 A 5 TYR HB3 H 1 3.104 0.004 A 5 TYR HDx H 1 6.773 0.002 A 5 TYR HDy H 1 6.773 0.002 A 5 TYR HEx H 1 6.417 0.001 A 5 TYR HEy H 1 6.417 0.001 A 6 GLY H H 1 8.763 0.002 A 6 GLY HA2 H 1 4.408 0.006 A 6 GLY HA3 H 1 3.322 0.004 A 7 GLN H H 1 8.647 0.016 A 7 GLN HA H 1 4.308 0.004 A 7 GLN HB2 H 1 2.074 0.025 A 7 GLN HB3 H 1 1.655 0.006 A 7 GLN HE21 H 1 7.273 0.001 A 7 GLN HE22 H 1 6.991 0.003 A 7 GLN HG2 H 1 2.291 0.004 A 7 GLN HG3 H 1 0.996 0.002 A 8 CYS H H 1 8.015 0.004 A 8 CYS HA H 1 5.252 0.002 A 8 CYS HB2 H 1 3.520 0.009 A 8 CYS HB3 H 1 2.784 0.005 A 9 GLY H H 1 6.673 0.002 A 9 GLY HA2 H 1 4.249 0.007 A 9 GLY HA3 H 1 3.833 0.006 A 10 GLY H H 1 8.663 0.024 A 10 GLY HA2 H 1 4.266 0.044 A 10 GLY HA3 H 1 3.839 0.011 A 11 ILE H H 1 8.319 0.001 A 11 ILE HA H 1 3.775 0.004 A 11 ILE HB H 1 1.273 0.003 A 11 ILE HD1% H 1 0.471 0.002 A 11 ILE HG12 H 1 1.490 0.002 A 11 ILE HG13 H 1 0.966 0.001 A 11 ILE HG2% H 1 0.902 0.001 A 12 GLY H H 1 9.095 0.001 A 12 GLY HA2 H 1 4.318 0.002 A 12 GLY HA3 H 1 3.765 0.012 A 13 TYR H H 1 7.953 0.000 A 13 TYR HA H 1 4.568 0.001 A 13 TYR HBx H 1 2.823 0.004 A 13 TYR HBy H 1 2.823 0.004 A 13 TYR HDx H 1 6.861 0.004 A 13 TYR HDy H 1 6.861 0.004 A 13 TYR HEx H 1 6.462 0.004 A 13 TYR HEy H 1 6.462 0.004 A 13 TYR HH H 1 9.178 0.002 A 14 SER H H 1 8.397 0.000 A 14 SER HA H 1 4.676 0.005 A 14 SER HB2 H 1 3.821 0.002 A 14 SER HB3 H 1 3.585 0.002 A 15 GLY H H 1 5.224 0.003 A 15 GLY HA2 H 1 4.033 0.004 A 15 GLY HA3 H 1 3.703 0.008 A 16 PRO HA H 1 4.456 0.002 A 16 PRO HB2 H 1 2.315 0.005 A 16 PRO HB3 H 1 1.680 0.006 A 16 PRO HD2 H 1 3.755 0.004 A 16 PRO HD3 H 1 3.469 0.003 A 16 PRO HGx H 1 2.038 0.007 A 16 PRO HGy H 1 2.038 0.007 A 17 THR H H 1 8.243 0.000 A 17 THR HA H 1 4.684 0.000 A 17 THR HB H 1 4.554 0.002 A 17 THR HG2% H 1 1.322 0.002 A 18 VAL H H 1 7.449 0.001 A 18 VAL HA H 1 4.065 0.004 A 18 VAL HB H 1 1.999 0.002 A 18 VAL HGx% H 1 0.983 0.002 A 18 VAL HGy% H 1 0.949 0.001 A 19 CYS H H 1 8.730 0.001 A 19 CYS HA H 1 4.401 0.008 A 19 CYS HB2 H 1 3.645 0.003 A 19 CYS HB3 H 1 2.265 0.001 A 20 ALA H H 1 7.503 0.001 A 20 ALA HA H 1 4.371 0.005 A 20 ALA HB% H 1 1.339 0.004 A 21 SER H H 1 8.716 0.002 A 21 SER HA H 1 4.180 0.002 A 21 SER HBx H 1 3.832 0.002 A 21 SER HBy H 1 3.832 0.002 A 22 GLY H H 1 8.902 0.002 A 22 GLY HA2 H 1 4.262 0.005 A 22 GLY HA3 H 1 3.600 0.005 A 23 THR H H 1 8.195 0.001 A 23 THR HA H 1 4.666 0.003 A 23 THR HB H 1 3.701 0.004 A 23 THR HG2% H 1 0.274 0.005 A 24 THR H H 1 9.378 0.001 A 24 THR HA H 1 4.505 0.005 A 24 THR HB H 1 4.019 0.006 A 24 THR HG2% H 1 1.119 0.003 A 25 CYS H H 1 8.873 0.001 A 25 CYS HA H 1 4.609 0.005 A 25 CYS HB2 H 1 3.179 0.002 A 25 CYS HB3 H 1 2.929 0.000 A 26 GLN H H 1 9.026 0.003 A 26 GLN HA H 1 4.583 0.002 A 26 GLN HB2 H 1 2.070 0.005 A 26 GLN HB3 H 1 1.937 0.003 A 26 GLN HE21 H 1 7.001 0.002 A 26 GLN HE22 H 1 6.737 0.003 A 26 GLN HG2 H 1 2.441 0.001 A 26 GLN HG3 H 1 2.246 0.000 A 27 VAL H H 1 8.679 0.000 A 27 VAL HA H 1 4.081 0.003 A 27 VAL HB H 1 1.931 0.004 A 27 VAL HGx% H 1 0.910 0.003 A 27 VAL HGy% H 1 0.683 0.002 A 28 LEU H H 1 8.652 0.001 A 28 LEU HA H 1 4.726 0.003 A 28 LEU HB2 H 1 1.980 0.002 A 28 LEU HB3 H 1 1.939 0.008 A 28 LEU HDx% H 1 1.055 0.002 A 28 LEU HDy% H 1 0.941 0.004 A 28 LEU HG H 1 1.822 0.002 A 29 ASN H H 1 8.628 0.001 A 29 ASN HA H 1 4.916 0.005 A 29 ASN HBx H 1 3.218 0.001 A 29 ASN HBy H 1 3.218 0.001 A 29 ASN HD21 H 1 7.840 0.001 A 29 ASN HD22 H 1 7.040 0.034 A 30 PRO HA H 1 4.208 0.001 A 30 PRO HB2 H 1 2.260 0.003 A 30 PRO HB3 H 1 1.248 0.008 A 30 PRO HD2 H 1 3.931 0.016 A 30 PRO HD3 H 1 3.733 0.014 A 30 PRO HGy H 1 2.103 0.007 A 30 PRO HGx H 1 1.911 0.001 A 31 TYR H H 1 8.703 0.001 A 31 TYR HA H 1 4.388 0.002 A 31 TYR HB2 H 1 3.383 0.004 A 31 TYR HB3 H 1 2.904 0.002 A 31 TYR HDx H 1 7.078 0.003 A 31 TYR HDy H 1 7.078 0.003 A 31 TYR HEx H 1 6.759 0.002 A 31 TYR HEy H 1 6.759 0.002 A 32 TYR H H 1 7.921 0.001 A 32 TYR HA H 1 4.600 0.003 A 32 TYR HB2 H 1 2.843 0.003 A 32 TYR HB3 H 1 2.721 0.003 A 32 TYR HDx H 1 6.899 0.004 A 32 TYR HDy H 1 6.899 0.004 A 32 TYR HEx H 1 6.535 0.004 A 32 TYR HEy H 1 6.535 0.004 A 33 SER H H 1 6.668 0.004 A 33 SER HA H 1 5.195 0.005 A 33 SER HB2 H 1 3.538 0.003 A 33 SER HB3 H 1 2.850 0.003 A 34 GLN H H 1 9.108 0.002 A 34 GLN HA H 1 4.787 0.003 A 34 GLN HB2 H 1 1.860 0.069 A 34 GLN HB3 H 1 1.567 0.001 A 34 GLN HE21 H 1 7.852 0.004 A 34 GLN HE22 H 1 6.679 0.002 A 34 GLN HG2 H 1 2.113 0.001 A 34 GLN HG3 H 1 2.011 0.003 A 35 CYS H H 1 8.485 0.003 A 35 CYS HA H 1 5.085 0.004 A 35 CYS HBx H 1 3.053 0.001 A 35 CYS HBy H 1 3.053 0.001 A 36 LEU H H 1 9.065 0.004 A 36 LEU HA H 1 4.521 0.002 A 36 LEU HB2 H 1 1.605 0.001 A 36 LEU HB3 H 1 1.574 0.002 A 36 LEU HDx% H 1 1.029 0.003 A 36 LEU HDy% H 1 0.955 0.002 A 36 LEU HG H 1 1.316 0.002 stop_ save_ save_assigned_chem_shift_list_2 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_2 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 B 1 MAN H1 H 1 4.858 . B 2 MAN H1 H 1 4.949 . B 2 MAN H2 H 1 3.815 . B 2 MAN H3 H 1 3.863 . B 3 MAN H1 H 1 4.753 . B 3 MAN H2 H 1 3.718 . 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 13 TYR HH A 2 GLN HE22 1.0 1.8 2.5 2 2 A 27 VAL H A 26 GLN HA 1.0 1.8 3.1 3 3 A 26 GLN H A 25 CYS HA 1.0 1.8 3.1 4 4 A 33 SER H A 32 TYR HA 1.0 1.8 3.1 5 5 A 22 GLY H A 21 SER HA 1.0 1.8 3.1 6 6 A 14 SER H A 13 TYR HA 1.0 1.8 3.1 7 7 A 36 LEU H A 35 CYS HA 1.0 1.8 3.1 8 8 A 19 CYS H A 18 VAL HA 1.0 1.8 3.1 9 9 A 21 SER H A 20 ALA HA 1.0 1.8 3.1 10 10 A 2 GLN H A 1 THR HB 1.0 1.8 3.1 11 11 A 17 THR H A 16 PRO HA 1.0 1.8 3.1 12 12 A 10 GLY H A 9 GLY HA2 1.0 1.8 3.1 13 13 A 25 CYS H A 24 THR HA 1.0 1.8 3.1 14 14 A 5 TYR H A 4 HIS HA 1.0 1.8 3.1 15 15 A 24 THR H A 23 THR HA 1.0 1.8 3.1 16 16 A 34 GLN H A 33 SER HA 1.0 1.8 3.1 17 17 A 30 PRO HD3 A 29 ASN HBx 1.0 1.8 3.1 18 17 A 30 PRO HD3 A 29 ASN HBy 1.0 1.8 3.1 19 18 A 8 CYS H A 7 GLN HA 1.0 1.8 3.1 20 19 A 31 TYR H A 32 TYR H 1.0 1.8 3.1 21 20 A 3 SER H A 2 GLN HA 1.0 1.8 3.1 22 21 A 4 HIS H A 3 SER HA 1.0 1.8 3.1 23 22 A 28 LEU H A 27 VAL HA 1.0 1.8 3.1 24 23 A 24 THR H A 23 THR HB 1.0 1.8 3.1 25 24 A 17 THR H A 18 VAL H 1.0 1.8 3.1 26 25 A 5 TYR H A 4 HIS HD2 1.0 1.8 3.1 27 26 A 9 GLY H A 7 GLN HG2 1.0 1.8 3.1 28 27 A 8 CYS H A 9 GLY H 1.0 1.8 3.1 29 28 A 30 PRO HD2 A 29 ASN HBx 1.0 1.8 3.1 30 28 A 29 ASN HBy A 30 PRO HD2 1.0 1.8 3.1 31 29 A 11 ILE H A 31 TYR HA 1.0 1.8 3.1 32 30 A 5 TYR HDx A 36 LEU HDx% 1.0 1.8 3.6 33 31 A 33 SER HA A 28 LEU H 1.0 1.8 3.1 34 32 A 4 HIS HA A 35 CYS HBx 1.0 1.8 3.5 35 32 A 4 HIS HA A 35 CYS HBy 1.0 1.8 3.5 36 33 A 11 ILE H A 10 GLY HA2 1.0 1.8 2.5 37 34 A 10 GLY H A 9 GLY HA3 1.0 1.8 3.1 38 35 A 30 PRO HD3 A 29 ASN HA 1.0 1.8 3.1 39 36 A 4 HIS HD2 A 36 LEU HA 1.0 1.8 3.1 40 37 A 5 TYR H A 35 CYS HBx 1.0 1.8 3.5 41 38 A 9 GLY H A 7 GLN HG3 1.0 1.8 3.1 42 39 A 2 GLN HE21 A 13 TYR HE% 1.0 1.8 3.1 43 40 A 35 CYS H A 34 GLN HG2 1.0 1.8 3.1 44 41 A 25 CYS H A 24 THR HA 1.0 1.8 3.1 45 42 A 13 TYR HH A 2 GLN HG2 1.0 1.8 3.1 46 43 A 22 GLY H A 23 THR H 1.0 1.8 3.1 47 44 A 36 LEU HDx% A 5 TYR HEx 1.0 1.8 3.6 48 45 A 32 TYR HEx A 34 GLN HB2 1.0 1.8 3.5 49 46 A 3 SER HA A 20 ALA HB% 1.0 1.8 3.6 50 47 A 21 SER H A 20 ALA HB% 1.0 1.8 3.6 51 48 A 4 HIS H A 3 SER HB2 1.0 1.8 3.5 52 49 A 3 SER H A 2 GLN HG3 1.0 1.8 3.5 53 50 A 31 TYR HDx A 11 ILE HB 1.0 1.8 3.5 54 51 A 29 ASN H A 28 LEU HG 1.0 1.8 3.5 55 52 A 7 GLN HE22 A 13 TYR HBy 1.0 1.8 5.0 56 53 A 7 GLN HE22 A 13 TYR HBx 1.0 1.8 3.5 57 54 A 9 GLY HA2 A 33 SER HB2 1.0 1.8 3.5 58 55 A 8 CYS HB2 A 17 THR HA 1.0 1.8 3.5 59 56 A 19 CYS HB3 A 35 CYS HBx 1.0 1.8 3.5 60 56 A 35 CYS HBy A 19 CYS HB3 1.0 1.8 3.5 61 57 A 36 LEU H A 24 THR H 1.0 1.8 3.5 62 58 A 27 VAL HA A 29 ASN H 1.0 1.8 5.0 63 59 A 19 CYS H A 18 VAL HGx% 1.0 1.8 4.4 64 60 A 2 GLN HB3 A 19 CYS HA 1.0 1.8 3.5 65 61 A 14 SER H A 15 GLY H 1.0 1.8 3.5 66 62 A 28 LEU HG A 32 TYR HDx 1.0 1.8 3.5 67 63 A 6 GLY H A 35 CYS HBx 1.0 1.8 3.5 68 63 A 35 CYS HBy A 6 GLY H 1.0 1.8 3.5 69 64 A 33 SER HA A 27 VAL HA 1.0 1.8 3.5 70 65 A 7 GLN HA A 9 GLY H 1.0 1.8 3.5 71 66 A 12 GLY H A 13 TYR H 1.0 1.8 3.5 72 67 A 1 THR HB A 20 ALA HB% 1.0 1.8 4.4 73 68 A 12 GLY H A 11 ILE HG2% 1.0 1.8 4.0 74 69 A 9 GLY H A 7 GLN HB3 1.0 1.8 3.9 75 70 A 9 GLY H A 33 SER HB3 1.0 1.8 3.5 76 71 A 25 CYS HA A 36 LEU H 1.0 1.8 3.5 77 72 A 32 TYR HDx A 28 LEU HDy% 1.0 1.8 3.5 78 73 A 29 ASN H A 27 VAL HGx% 1.0 1.8 4.4 79 74 A 26 GLN H A 34 GLN H 1.0 1.8 3.9 80 75 A 11 ILE HB A 31 TYR HEx 1.0 1.8 3.9 81 76 A 4 HIS HD2 A 23 THR HG2% 1.0 1.8 4.4 82 77 A 11 ILE HG2% A 31 TYR HEx 1.0 1.8 4.4 83 78 A 34 GLN H A 33 SER HB3 1.0 1.8 3.9 84 79 A 13 TYR HH A 2 GLN HG3 1.0 1.8 3.9 85 80 A 32 TYR H A 29 ASN H 1.0 1.8 3.9 86 81 A 7 GLN HE21 A 13 TYR HBy 1.0 1.8 5.0 87 82 A 7 GLN HE21 A 13 TYR HBx 1.0 1.8 3.1 88 83 A 4 HIS H A 3 SER HB3 1.0 1.8 3.9 89 84 A 2 GLN HE22 A 15 GLY HA3 1.0 1.8 3.9 90 85 A 4 HIS HD2 A 36 LEU HDx% 1.0 1.8 4.4 91 86 A 34 GLN HE21 A 5 TYR HA 1.0 1.8 3.5 92 87 A 20 ALA HA A 1 THR HG2% 1.0 1.8 4.4 93 88 A 26 GLN H A 35 CYS HA 1.0 1.8 3.9 94 89 A 23 THR H A 22 GLY HA2 1.0 1.8 3.9 95 90 A 4 HIS HA A 23 THR HG2% 1.0 1.8 4.4 96 91 A 23 THR HB A 35 CYS HBx 1.0 1.8 3.9 97 91 A 23 THR HB A 35 CYS HBy 1.0 1.8 3.9 98 92 A 2 GLN HE22 A 16 PRO HGx 1.0 1.8 3.9 99 92 A 2 GLN HE22 A 16 PRO HGy 1.0 1.8 3.9 100 93 A 8 CYS H A 7 GLN HG3 1.0 1.8 3.9 101 94 A 13 TYR H A 12 GLY HA2 1.0 1.8 3.9 102 95 A 32 TYR HEx A 28 LEU HDy% 1.0 1.8 3.5 103 96 A 2 GLN H A 19 CYS HA 1.0 1.8 3.5 104 97 A 5 TYR H A 6 GLY H 1.0 1.8 3.9 105 98 A 3 SER H A 2 GLN HG2 1.0 1.8 3.9 106 99 A 36 LEU H A 23 THR HB 1.0 1.8 3.9 107 100 A 4 HIS HD2 A 5 TYR HA 1.0 1.8 3.9 108 101 A 35 CYS H A 34 GLN HG3 1.0 1.8 3.9 109 102 A 32 TYR HA A 7 GLN HE21 1.0 1.8 3.1 110 103 A 34 GLN HE21 A 5 TYR HB3 1.0 1.8 3.9 111 104 A 28 LEU H A 27 VAL HGx% 1.0 1.8 4.0 112 105 A 32 TYR HEy A 7 GLN HB2 1.0 1.8 3.1 113 106 A 9 GLY H A 7 GLN HE21 1.0 1.8 5.0 114 107 A 21 SER HA A 23 THR H 1.0 1.8 3.9 115 108 A 8 CYS H A 7 GLN HG2 1.0 1.8 3.9 116 109 A 2 GLN H A 1 THR HG2% 1.0 1.8 4.4 117 110 A 4 HIS H A 20 ALA HB% 1.0 1.8 4.4 118 111 A 2 GLN HE22 A 8 CYS HA 1.0 1.8 3.9 119 112 A 25 CYS H A 24 THR HG2% 1.0 1.8 4.4 120 113 A 9 GLY H A 8 CYS HA 1.0 1.8 3.9 121 114 A 26 GLN HE22 A 36 LEU HB2 1.0 1.8 3.5 122 115 A 10 GLY H A 33 SER HB2 1.0 1.8 3.9 123 116 A 27 VAL H A 26 GLN HB3 1.0 1.8 3.9 124 117 A 31 TYR HEx A 11 ILE HD1% 1.0 1.8 4.4 125 118 A 34 GLN H A 33 SER HB2 1.0 1.8 3.9 126 119 A 36 LEU H A 35 CYS HBy 1.0 1.8 3.9 127 120 A 28 LEU H A 27 VAL HGy% 1.0 1.8 4.4 128 121 A 22 GLY H A 21 SER HBx 1.0 1.8 3.9 129 121 A 22 GLY H A 21 SER HBy 1.0 1.8 3.9 130 122 A 32 TYR HA A 7 GLN HE22 1.0 1.8 3.5 131 123 A 23 THR HG2% A 4 HIS HB2 1.0 1.8 4.4 132 124 A 26 GLN HA A 27 VAL HGy% 1.0 1.8 4.4 133 125 A 29 ASN HD22 A 32 TYR HB3 1.0 1.8 3.9 134 126 A 12 GLY H A 11 ILE HG12 1.0 1.8 5.0 135 127 A 5 TYR HDx A 34 GLN HE21 1.0 1.8 3.5 136 128 A 36 LEU HDx% A 5 TYR HA 1.0 1.8 4.4 137 129 A 31 TYR HDx A 11 ILE HG2% 1.0 1.8 4.4 138 130 A 29 ASN H A 28 LEU HA 1.0 1.8 3.9 139 131 A 23 THR H A 22 GLY HA3 1.0 1.8 3.9 140 132 A 16 PRO HA A 18 VAL H 1.0 1.8 3.9 141 133 A 5 TYR HA A 35 CYS HBx 1.0 1.8 5.0 142 133 A 35 CYS HBy A 5 TYR HA 1.0 1.8 5.0 143 134 A 24 THR H A 23 THR HG2% 1.0 1.8 4.4 144 135 A 17 THR H A 16 PRO HB3 1.0 1.8 3.9 145 136 A 29 ASN HD22 A 32 TYR HB2 1.0 1.8 3.9 146 137 A 7 GLN HG3 A 32 TYR HEy 1.0 1.8 3.9 147 138 A 11 ILE HG2% A 12 GLY HA3 1.0 1.8 4.4 148 139 A 13 TYR HH A 2 GLN HE21 1.0 1.8 3.9 149 140 A 7 GLN HG3 A 32 TYR HDy 1.0 1.8 3.9 150 141 A 32 TYR HDx A 28 LEU HDx% 1.0 1.8 4.4 151 142 A 32 TYR H A 31 TYR HA 1.0 1.8 3.9 152 143 A 4 HIS HE1 A 5 TYR HEy 1.0 1.8 3.5 153 144 A 34 GLN H A 28 LEU H 1.0 1.8 3.9 154 145 A 2 GLN HE22 A 16 PRO HB3 1.0 1.8 3.9 155 146 A 14 SER H A 13 TYR HBy 1.0 1.8 3.9 156 146 A 14 SER H A 13 TYR HBx 1.0 1.8 3.9 157 147 A 7 GLN HA A 32 TYR HEy 1.0 1.8 3.9 158 148 A 14 SER H A 13 TYR HD% 1.0 1.8 3.9 159 149 A 30 PRO HD2 A 31 TYR HDy 1.0 1.8 3.9 160 150 A 25 CYS HA A 34 GLN H 1.0 1.8 5.0 161 151 A 32 TYR HEx A 28 LEU HG 1.0 1.8 3.9 162 152 A 35 CYS H A 34 GLN HB2 1.0 1.8 3.9 163 153 A 34 GLN HB2 A 32 TYR HDx 1.0 1.8 3.9 164 154 A 7 GLN HA A 35 CYS H 1.0 1.8 3.9 165 155 A 1 THR HB A 18 VAL HGx% 1.0 1.8 5.0 166 156 A 31 TYR HDx A 11 ILE HD1% 1.0 1.8 4.4 167 157 A 28 LEU HG A 29 ASN HD21 1.0 1.8 3.9 168 158 A 17 THR H A 16 PRO HB2 1.0 1.8 3.9 169 159 A 8 CYS H A 7 GLN HB3 1.0 1.8 5.0 170 160 A 34 GLN H A 27 VAL HA 1.0 1.8 3.9 171 161 A 32 TYR HEx A 28 LEU HDx% 1.0 1.8 5.0 172 162 A 29 ASN HA A 27 VAL HGx% 1.0 1.8 4.4 173 163 A 17 THR H A 18 VAL HGy% 1.0 1.8 4.4 174 164 A 8 CYS H A 7 GLN HB2 1.0 1.8 5.0 175 165 A 2 GLN HE22 A 16 PRO HD3 1.0 1.8 3.9 176 166 A 18 VAL H A 17 THR HA 1.0 1.8 3.9 177 167 A 18 VAL H A 17 THR HG2% 1.0 1.8 4.4 178 168 A 1 THR HB A 18 VAL H 1.0 1.8 5.0 179 169 A 3 SER H A 2 GLN HB3 1.0 1.8 3.9 180 170 A 31 TYR H A 29 ASN HBx 1.0 1.8 3.9 181 170 A 29 ASN HBy A 31 TYR H 1.0 1.8 3.9 182 171 A 36 LEU HB2 A 26 GLN HE21 1.0 1.8 3.5 183 172 A 33 SER H A 32 TYR HDy 1.0 1.8 3.9 184 173 A 27 VAL HGx% A 28 LEU HA 1.0 1.8 4.4 185 174 A 29 ASN H A 27 VAL HGy% 1.0 1.8 5.5 186 175 A 35 CYS HA A 24 THR H 1.0 1.8 3.9 187 176 A 34 GLN HE21 A 5 TYR HB2 1.0 1.8 3.5 188 177 A 2 GLN HE22 A 16 PRO HB2 1.0 1.8 3.9 189 178 A 10 GLY H A 9 GLY H 1.0 1.8 3.9 190 179 A 28 LEU HG A 29 ASN HD22 1.0 1.8 3.9 191 180 A 26 GLN H A 25 CYS HB2 1.0 1.8 5.0 192 181 A 3 SER H A 2 GLN HB2 1.0 1.8 3.9 193 182 A 9 GLY H A 7 GLN HB3 1.0 1.8 5.0 194 183 A 26 GLN H A 25 CYS HB3 1.0 1.8 3.9 195 184 A 24 THR H A 23 THR H 1.0 1.8 5.0 196 185 A 31 TYR HDy A 30 PRO HGx 1.0 1.8 3.9 197 186 A 5 TYR H A 23 THR HG2% 1.0 1.8 4.4 198 187 A 13 TYR HH A 2 GLN HB2 1.0 1.8 3.9 199 188 A 2 GLN HE22 A 17 THR HA 1.0 1.8 5.0 200 189 A 23 THR HG2% A 4 HIS HE1 1.0 1.8 5.5 201 190 A 25 CYS H A 24 THR H 1.0 1.8 5.0 202 191 A 3 SER H A 6 GLY HA3 1.0 1.8 3.9 203 192 A 13 TYR HH A 2 GLN HB3 1.0 1.8 5.0 204 193 A 4 HIS H A 23 THR HG2% 1.0 1.8 5.5 205 194 A 36 LEU HA A 5 TYR HEx 1.0 1.8 5.0 206 195 A 31 TYR HDy A 30 PRO HB3 1.0 1.8 5.0 207 196 A 24 THR H A 35 CYS HBx 1.0 1.8 5.0 208 196 A 24 THR H A 35 CYS HBy 1.0 1.8 5.0 209 197 A 5 TYR H A 35 CYS H 1.0 1.8 5.0 210 198 A 5 TYR H A 4 HIS HB2 1.0 1.8 5.0 211 199 A 32 TYR HB2 A 29 ASN HD21 1.0 1.8 5.0 212 200 A 13 TYR HH A 6 GLY HA3 1.0 1.8 5.0 213 201 A 30 PRO HD3 A 31 TYR HDy 1.0 1.8 5.0 214 202 A 11 ILE H A 31 TYR HDx 1.0 1.8 5.0 215 203 A 5 TYR H A 36 LEU HA 1.0 1.8 5.0 216 204 A 26 GLN HE21 A 24 THR HB 1.0 1.8 5.0 217 205 A 32 TYR HDx A 28 LEU HB3 1.0 1.8 5.0 218 205 A 32 TYR HDx A 28 LEU HB2 1.0 1.8 5.0 219 206 A 24 THR HG2% A 26 GLN HE21 1.0 1.8 5.5 220 207 A 32 TYR HB3 A 29 ASN HD21 1.0 1.8 5.0 221 208 A 26 GLN H A 33 SER HA 1.0 1.8 5.0 222 209 A 5 TYR H A 4 HIS H 1.0 1.8 5.0 223 210 A 16 PRO HD2 A 15 GLY HA2 1.0 1.8 3.1 224 211 A 4 HIS HA A 6 GLY H 1.0 1.8 3.9 225 212 A 3 SER HB2 A 6 GLY H 1.0 1.8 3.9 226 213 A 32 TYR H A 29 ASN HD22 1.0 1.8 3.9 227 214 A 32 TYR HDx A 34 GLN HE21 1.0 1.8 5.0 228 215 A 5 TYR H A 36 LEU HDx% 1.0 1.8 3.9 229 216 A 32 TYR H A 30 PRO HA 1.0 1.8 3.9 230 217 A 36 LEU H A 35 CYS H 1.0 1.8 5.0 231 218 A 36 LEU H A 4 HIS HD2 1.0 1.8 5.0 232 219 A 31 TYR HDx A 11 ILE HA 1.0 1.8 5.0 233 220 A 3 SER H A 4 HIS H 1.0 1.8 5.0 234 221 A 11 ILE H A 31 TYR HB3 1.0 1.8 5.0 235 222 A 33 SER H A 32 TYR HEy 1.0 1.8 5.0 236 223 A 3 SER HB2 A 6 GLY HA3 1.0 1.8 3.9 237 224 A 26 GLN H A 33 SER HB3 1.0 1.8 3.9 238 225 A 32 TYR H A 10 GLY HA2 1.0 1.8 3.5 239 226 A 36 LEU H A 23 THR HG2% 1.0 1.8 5.0 240 227 A 31 TYR HDy A 29 ASN HBx 1.0 1.8 5.0 241 227 A 29 ASN HBy A 31 TYR HDy 1.0 1.8 5.0 242 228 A 19 CYS HA A 20 ALA H 1.0 1.8 2.5 243 229 A 19 CYS HB3 A 20 ALA H 1.0 1.8 3.1 244 230 A 20 ALA H A 1 THR HA 1.0 1.8 5.0 245 231 A 1 THR HB A 20 ALA H 1.0 1.8 5.0 246 232 A 12 GLY H A 11 ILE HA 1.0 1.8 3.1 247 233 A 11 ILE H A 10 GLY HA3 1.0 1.8 3.1 248 234 A 2 GLN H A 1 THR HA 1.0 1.8 3.9 249 235 A 27 VAL HA A 33 SER HB3 1.0 1.8 3.5 250 236 A 7 GLN HB3 A 32 TYR HEy 1.0 1.8 3.9 251 237 A 19 CYS HB3 A 1 THR HG2% 1.0 1.8 5.5 252 238 A 23 THR HG2% A 4 HIS HB3 1.0 1.8 4.4 253 239 A 7 GLN HG3 A 7 GLN HE21 1.0 1.8 3.9 254 240 A 28 LEU HA A 28 LEU HDx% 1.0 1.8 3.5 255 241 A 29 ASN HD22 A 29 ASN HBx 1.0 1.8 3.9 256 241 A 29 ASN HBy A 29 ASN HD22 1.0 1.8 3.9 257 242 A 3 SER H A 3 SER HB2 1.0 1.8 3.9 258 243 A 7 GLN HG2 A 7 GLN HE21 1.0 1.8 3.9 259 244 A 17 THR H A 17 THR HG2% 1.0 1.8 4.4 260 245 A 4 HIS HD2 A 4 HIS HB3 1.0 1.8 3.9 261 246 A 33 SER HA A 33 SER HB2 1.0 1.8 3.9 262 247 A 19 CYS H A 19 CYS HB3 1.0 1.8 3.9 263 248 A 26 GLN H A 26 GLN HB3 1.0 1.8 3.9 264 249 A 2 GLN HG3 A 2 GLN HB3 1.0 1.8 3.9 265 250 A 30 PRO HD2 A 30 PRO HGx 1.0 1.8 3.9 266 251 A 28 LEU H A 28 LEU HG 1.0 1.8 3.9 267 252 A 23 THR H A 23 THR HG2% 1.0 1.8 4.4 268 253 A 32 TYR H A 32 TYR HB2 1.0 1.8 3.9 269 254 A 27 VAL H A 27 VAL HGy% 1.0 1.8 3.9 270 255 A 11 ILE H A 11 ILE HG12 1.0 1.8 3.9 271 256 A 26 GLN HE21 A 26 GLN HG3 1.0 1.8 3.9 272 257 A 11 ILE HD1% A 11 ILE HG12 1.0 1.8 4.4 273 258 A 14 SER H A 14 SER HB3 1.0 1.8 3.9 274 259 A 19 CYS HA A 19 CYS HB2 1.0 1.8 3.9 275 260 A 8 CYS H A 8 CYS HB2 1.0 1.8 3.9 276 261 A 11 ILE HG2% A 11 ILE HD1% 1.0 1.8 4.4 277 262 A 32 TYR HA A 32 TYR HB2 1.0 1.8 3.9 278 263 A 31 TYR H A 31 TYR HB3 1.0 1.8 3.9 279 264 A 14 SER H A 14 SER HB2 1.0 1.8 3.9 280 265 A 4 HIS HD2 A 4 HIS HB2 1.0 1.8 3.9 281 266 A 24 THR H A 24 THR HB 1.0 1.8 3.9 282 267 A 34 GLN HG2 A 34 GLN HE21 1.0 1.8 3.9 283 268 A 7 GLN HG2 A 7 GLN HE22 1.0 1.8 3.9 284 269 A 26 GLN H A 26 GLN HG3 1.0 1.8 3.9 285 270 A 36 LEU H A 36 LEU HG 1.0 1.8 3.9 286 271 A 24 THR H A 24 THR HG2% 1.0 1.8 4.4 287 272 A 11 ILE HD1% A 11 ILE HA 1.0 1.8 3.9 288 273 A 7 GLN HG3 A 7 GLN HE22 1.0 1.8 3.9 289 274 A 2 GLN HE22 A 2 GLN HG3 1.0 1.8 3.9 290 275 A 29 ASN H A 29 ASN HBx 1.0 1.8 3.9 291 275 A 29 ASN HBy A 29 ASN H 1.0 1.8 3.9 292 276 A 28 LEU HDy% A 28 LEU HA 1.0 1.8 4.4 293 277 A 11 ILE H A 11 ILE HD1% 1.0 1.8 5.0 294 278 A 7 GLN HA A 7 GLN HE21 1.0 1.8 5.0 295 279 A 5 TYR HEx A 5 TYR HB2 1.0 1.8 5.0 296 279 A 5 TYR HEy A 5 TYR HB2 1.0 1.8 5.0 297 280 A 34 GLN H A 34 GLN HG2 1.0 1.8 3.9 298 281 A 8 CYS H A 8 CYS HB3 1.0 1.8 3.9 299 282 A 11 ILE H A 11 ILE HG2% 1.0 1.8 4.4 300 283 A 5 TYR HEx A 5 TYR HB3 1.0 1.8 5.0 301 283 A 5 TYR HB3 A 5 TYR HEy 1.0 1.8 5.0 302 284 A 2 GLN HE22 A 2 GLN HE21 1.0 1.8 3.2 303 285 A 26 GLN H A 26 GLN HG2 1.0 1.8 3.9 304 286 A 26 GLN HE21 A 26 GLN HG2 1.0 1.8 3.9 305 287 A 34 GLN H A 34 GLN HB3 1.0 1.8 3.9 306 288 A 32 TYR HEx A 32 TYR HB3 1.0 1.8 5.0 307 288 A 32 TYR HEy A 32 TYR HB3 1.0 1.8 5.0 308 289 A 2 GLN H A 2 GLN HG2 1.0 1.8 5.0 309 290 A 36 LEU H A 36 LEU HDy% 1.0 1.8 5.0 310 291 A 32 TYR HA A 32 TYR HEx 1.0 1.8 5.0 311 291 A 32 TYR HA A 32 TYR HEy 1.0 1.8 5.0 312 292 A 5 TYR HEx A 5 TYR HA 1.0 1.8 5.0 313 292 A 5 TYR HA A 5 TYR HEy 1.0 1.8 5.0 314 293 A 26 GLN HE22 A 26 GLN HG3 1.0 1.8 3.9 315 294 A 4 HIS HD2 A 4 HIS HE1 1.0 1.8 3.9 316 295 A 17 THR H A 17 THR HB 1.0 1.8 3.9 317 296 A 5 TYR H A 5 TYR HB3 1.0 1.8 3.9 318 297 A 7 GLN HA A 7 GLN HE22 1.0 1.8 5.0 319 298 A 36 LEU H A 36 LEU HDx% 1.0 1.8 5.0 320 299 A 2 GLN H A 2 GLN HG3 1.0 1.8 5.0 321 300 A 31 TYR HA A 31 TYR HEx 1.0 1.8 5.0 322 300 A 31 TYR HA A 31 TYR HEy 1.0 1.8 5.0 323 301 A 2 GLN HE22 A 2 GLN HG3 1.0 1.8 5.0 324 302 A 29 ASN HA A 29 ASN HD21 1.0 1.8 5.0 325 303 A 34 GLN HE21 A 34 GLN HG3 1.0 1.8 3.9 326 304 A 31 TYR H A 31 TYR HDx 1.0 1.8 5.0 327 304 A 31 TYR H A 31 TYR HDy 1.0 1.8 5.0 328 305 A 25 CYS HB2 A 25 CYS HB3 1.0 1.8 2.5 329 306 A 22 GLY HA2 A 22 GLY HA3 1.0 1.8 2.5 330 307 A 14 SER HB3 A 14 SER HB2 1.0 1.8 2.5 331 308 A 26 GLN HE22 A 26 GLN HE21 1.0 1.8 2.5 332 309 A 12 GLY HA2 A 12 GLY HA3 1.0 1.8 2.5 333 310 A 32 TYR HB3 A 32 TYR HB2 1.0 1.8 2.5 334 311 A 4 HIS HB2 A 4 HIS HB3 1.0 1.8 2.5 335 312 A 5 TYR HB3 A 5 TYR HB2 1.0 1.8 2.5 336 313 A 31 TYR HB3 A 31 TYR HB2 1.0 1.8 2.5 337 314 A 8 CYS HB2 A 8 CYS HB3 1.0 1.8 2.5 338 315 A 6 GLY HA3 A 6 GLY HA2 1.0 1.8 2.5 339 316 A 33 SER HB2 A 33 SER HB3 1.0 1.8 2.5 340 317 A 19 CYS HB3 A 19 CYS HB2 1.0 1.8 2.5 341 318 A 29 ASN HD22 A 29 ASN HD21 1.0 1.8 2.5 342 319 A 3 SER HB2 A 3 SER HB3 1.0 1.8 2.5 343 320 A 30 PRO HB3 A 30 PRO HB2 1.0 1.8 2.5 344 321 A 2 GLN HG2 A 2 GLN HG3 1.0 1.8 2.5 345 322 A 7 GLN HE22 A 7 GLN HE21 1.0 1.8 2.5 346 323 A 2 GLN HB3 A 2 GLN HB2 1.0 1.8 2.5 347 324 A 7 GLN HB3 A 7 GLN HB2 1.0 1.8 2.5 348 325 A 16 PRO HB3 A 16 PRO HB2 1.0 1.8 2.5 349 326 A 11 ILE HG12 A 11 ILE HG13 1.0 1.8 2.5 350 327 A 7 GLN HG2 A 7 GLN HG3 1.0 1.8 2.5 351 328 A 26 GLN HG3 A 26 GLN HG2 1.0 1.8 2.5 352 329 A 27 VAL H A 27 VAL HA 1.0 1.8 3.2 353 330 A 31 TYR HDx A 31 TYR HEx 1.0 1.8 3.2 354 330 A 31 TYR HDy A 31 TYR HEy 1.0 1.8 3.2 355 330 A 31 TYR HDx A 31 TYR HEy 1.0 1.8 3.2 356 330 A 31 TYR HEx A 31 TYR HDy 1.0 1.8 3.2 357 331 A 12 GLY H A 12 GLY HA2 1.0 1.8 3.2 358 332 A 34 GLN HE21 A 34 GLN HE22 1.0 1.8 3.2 359 333 A 5 TYR HEx A 5 TYR HDy 1.0 1.8 3.2 360 333 A 5 TYR HDx A 5 TYR HEy 1.0 1.8 3.2 361 333 A 5 TYR HEy A 5 TYR HDy 1.0 1.8 3.2 362 333 A 5 TYR HDx A 5 TYR HEx 1.0 1.8 3.2 363 334 A 32 TYR HDx A 32 TYR HEy 1.0 1.8 3.2 364 334 A 32 TYR HEx A 32 TYR HDy 1.0 1.8 3.2 365 334 A 32 TYR HEy A 32 TYR HDy 1.0 1.8 3.2 366 334 A 32 TYR HEx A 32 TYR HDx 1.0 1.8 3.2 367 335 A 1 THR HB A 1 THR HG2% 1.0 1.8 3.7 368 336 A 29 ASN HA A 29 ASN HBx 1.0 1.8 3.2 369 336 A 29 ASN HBy A 29 ASN HA 1.0 1.8 3.2 370 337 A 27 VAL H A 27 VAL HB 1.0 1.8 3.2 371 338 A 13 TYR H A 13 TYR HBy 1.0 1.8 3.2 372 338 A 13 TYR H A 13 TYR HBx 1.0 1.8 3.2 373 339 A 6 GLY H A 6 GLY HA2 1.0 1.8 3.2 374 340 A 5 TYR H A 5 TYR HA 1.0 1.8 3.2 375 341 A 22 GLY H A 22 GLY HA2 1.0 1.8 3.2 376 342 A 6 GLY H A 6 GLY HA3 1.0 1.8 3.2 377 343 A 14 SER H A 14 SER HA 1.0 1.8 3.2 378 344 A 21 SER HA A 21 SER H 1.0 1.8 3.2 379 345 A 7 GLN HA A 7 GLN H 1.0 1.8 3.2 380 346 A 22 GLY H A 22 GLY HA3 1.0 1.8 3.2 381 347 A 9 GLY HA2 A 9 GLY H 1.0 1.8 3.2 382 348 A 25 CYS HA A 25 CYS H 1.0 1.8 3.2 383 349 A 13 TYR HA A 13 TYR H 1.0 1.8 3.2 384 350 A 24 THR HA A 24 THR H 1.0 1.8 3.2 385 351 A 23 THR HA A 23 THR H 1.0 1.8 3.2 386 352 A 3 SER H A 3 SER HA 1.0 1.8 3.2 387 353 A 29 ASN HA A 29 ASN H 1.0 1.8 3.2 388 354 A 36 LEU H A 36 LEU HA 1.0 1.8 3.2 389 355 A 33 SER H A 33 SER HA 1.0 1.8 3.2 390 356 A 28 LEU H A 28 LEU HA 1.0 1.8 3.2 391 357 A 9 GLY H A 9 GLY HA3 1.0 1.8 3.2 392 358 A 15 GLY H A 15 GLY HA2 1.0 1.8 3.2 393 359 A 11 ILE H A 11 ILE HA 1.0 1.8 3.2 394 360 A 4 HIS HA A 4 HIS H 1.0 1.8 3.2 395 361 A 35 CYS HA A 35 CYS H 1.0 1.8 3.2 396 362 A 32 TYR HA A 32 TYR H 1.0 1.8 3.2 397 363 A 17 THR H A 17 THR HA 1.0 1.8 3.2 398 364 A 18 VAL HA A 18 VAL H 1.0 1.8 3.2 399 365 A 2 GLN H A 2 GLN HA 1.0 1.8 3.2 400 366 A 8 CYS H A 8 CYS HA 1.0 1.8 3.2 401 367 A 15 GLY H A 15 GLY HA3 1.0 1.8 3.2 402 368 A 10 GLY H A 10 GLY HA2 1.0 1.8 3.2 403 369 A 12 GLY H A 12 GLY HA3 1.0 1.8 3.2 404 370 A 28 LEU HB2 A 28 LEU HB3 1.0 1.8 3.2 405 371 A 18 VAL HGy% A 18 VAL HB 1.0 1.8 4.0 406 372 A 36 LEU HB2 A 36 LEU HDy% 1.0 1.8 4.0 407 373 A 17 THR HG2% A 17 THR HB 1.0 1.8 4.0 408 374 A 18 VAL HGy% A 18 VAL HB 1.0 1.8 4.0 409 375 A 13 TYR HA A 13 TYR HBy 1.0 1.8 3.5 410 375 A 13 TYR HA A 13 TYR HBx 1.0 1.8 3.5 411 376 A 5 TYR HDx A 5 TYR HB3 1.0 1.8 3.5 412 376 A 5 TYR HB3 A 5 TYR HDy 1.0 1.8 3.5 413 377 A 20 ALA HA A 20 ALA HB% 1.0 1.8 4.0 414 378 A 36 LEU HG A 36 LEU HDy% 1.0 1.8 3.5 415 379 A 31 TYR HDx A 31 TYR HB2 1.0 1.8 3.5 416 379 A 31 TYR HDy A 31 TYR HB2 1.0 1.8 3.5 417 380 A 16 PRO HA A 16 PRO HB3 1.0 1.8 3.5 418 381 A 5 TYR HDx A 5 TYR HB2 1.0 1.8 3.5 419 381 A 5 TYR HB2 A 5 TYR HDy 1.0 1.8 3.5 420 382 A 23 THR HA A 23 THR HB 1.0 1.8 3.5 421 383 A 36 LEU HDx% A 36 LEU HA 1.0 1.8 4.0 422 384 A 32 TYR HDx A 32 TYR HB3 1.0 1.8 3.5 423 384 A 32 TYR HB3 A 32 TYR HDy 1.0 1.8 3.5 424 385 A 23 THR HB A 23 THR HG2% 1.0 1.8 4.0 425 386 A 35 CYS HA A 35 CYS HBx 1.0 1.8 3.5 426 386 A 35 CYS HA A 35 CYS HBy 1.0 1.8 3.5 427 387 A 35 CYS H A 35 CYS HBx 1.0 1.8 3.5 428 387 A 35 CYS HBy A 35 CYS H 1.0 1.8 3.5 429 388 A 24 THR HG2% A 24 THR HB 1.0 1.8 4.0 430 389 A 8 CYS HB2 A 8 CYS HA 1.0 1.8 3.5 431 390 A 36 LEU HA A 36 LEU HB2 1.0 1.8 3.5 432 391 A 5 TYR HDx A 5 TYR HA 1.0 1.8 3.5 433 391 A 5 TYR HA A 5 TYR HDy 1.0 1.8 3.5 434 392 A 11 ILE HD1% A 11 ILE HG13 1.0 1.8 4.0 435 393 A 8 CYS HA A 8 CYS HB3 1.0 1.8 3.5 436 394 A 21 SER H A 21 SER HBx 1.0 1.8 3.5 437 394 A 21 SER H A 21 SER HBy 1.0 1.8 3.5 438 395 A 19 CYS H A 19 CYS HB2 1.0 1.8 3.5 439 396 A 33 SER H A 33 SER HB2 1.0 1.8 3.5 440 397 A 4 HIS H A 4 HIS HB2 1.0 1.8 3.5 441 398 A 27 VAL HGx% A 27 VAL HB 1.0 1.8 4.0 442 399 A 30 PRO HB3 A 30 PRO HA 1.0 1.8 3.5 443 400 A 31 TYR HDx A 31 TYR HB3 1.0 1.8 3.5 444 400 A 31 TYR HDy A 31 TYR HB3 1.0 1.8 3.5 445 401 A 18 VAL HA A 18 VAL HGx% 1.0 1.8 4.0 446 402 A 3 SER HA A 3 SER HB2 1.0 1.8 3.5 447 403 A 27 VAL HGy% A 27 VAL HB 1.0 1.8 4.0 448 404 A 32 TYR HDx A 32 TYR HB2 1.0 1.8 3.5 449 404 A 32 TYR HB2 A 32 TYR HDy 1.0 1.8 3.5 450 405 A 29 ASN HD21 A 29 ASN HBx 1.0 1.8 3.5 451 405 A 29 ASN HBy A 29 ASN HD21 1.0 1.8 3.5 452 406 A 32 TYR HA A 32 TYR HDx 1.0 1.8 3.5 453 406 A 32 TYR HA A 32 TYR HDy 1.0 1.8 3.5 454 407 A 27 VAL H A 27 VAL HGx% 1.0 1.8 4.0 455 408 A 18 VAL HA A 18 VAL HGy% 1.0 1.8 4.0 456 409 A 4 HIS H A 4 HIS HB3 1.0 1.8 3.5 457 410 A 27 VAL HA A 27 VAL HGx% 1.0 1.8 4.0 458 411 A 36 LEU H A 36 LEU HB2 1.0 1.8 3.5 459 412 A 31 TYR HA A 31 TYR HB3 1.0 1.8 3.5 460 413 A 11 ILE HB A 11 ILE HD1% 1.0 1.8 4.0 461 414 A 17 THR HA A 17 THR HG1 1.0 1.8 4.0 462 415 A 11 ILE HG2% A 11 ILE HA 1.0 1.8 4.0 463 416 A 11 ILE H A 11 ILE HG13 1.0 1.8 3.5 464 417 A 18 VAL H A 18 VAL HB 1.0 1.8 3.5 465 418 A 25 CYS H A 25 CYS HB2 1.0 1.8 3.5 466 419 A 14 SER HB3 A 14 SER HA 1.0 1.8 3.5 467 420 A 5 TYR HA A 5 TYR HB2 1.0 1.8 3.5 468 421 A 14 SER HB2 A 14 SER HA 1.0 1.8 3.5 469 422 A 11 ILE H A 11 ILE HB 1.0 1.8 3.5 470 423 A 18 VAL H A 18 VAL HGy% 1.0 1.8 4.0 471 424 A 25 CYS HA A 25 CYS HB3 1.0 1.8 3.5 472 425 A 36 LEU HDx% A 36 LEU HB2 1.0 1.8 4.0 473 426 A 7 GLN HA A 7 GLN HG2 1.0 1.8 3.5 474 427 A 24 THR HA A 24 THR HB 1.0 1.8 3.5 475 428 A 25 CYS H A 25 CYS HB3 1.0 1.8 3.5 476 429 A 27 VAL HGx% A 27 VAL HGy% 1.0 1.8 3.7 477 430 A 26 GLN H A 26 GLN HB2 1.0 1.8 3.5 478 431 A 30 PRO HD3 A 30 PRO HGx 1.0 1.8 3.5 479 432 A 24 THR HA A 24 THR HG2% 1.0 1.8 4.0 480 433 A 11 ILE HB A 11 ILE HG2% 1.0 1.8 4.0 481 434 A 4 HIS HA A 4 HIS HD2 1.0 1.8 3.5 482 435 A 33 SER HA A 33 SER HB3 1.0 1.8 3.5 483 436 A 18 VAL H A 18 VAL HB 1.0 1.8 3.5 484 437 A 19 CYS HB3 A 19 CYS HA 1.0 1.8 3.5 485 438 A 23 THR HA A 23 THR HG2% 1.0 1.8 4.0 486 439 A 36 LEU HDx% A 36 LEU HG 1.0 1.8 4.0 487 440 A 31 TYR H A 31 TYR HB2 1.0 1.8 3.5 488 441 A 13 TYR HD% A 13 TYR HBy 1.0 1.8 3.5 489 441 A 13 TYR HBx A 13 TYR HD% 1.0 1.8 3.5 490 442 A 30 PRO HA A 30 PRO HB2 1.0 1.8 3.5 491 443 A 2 GLN H A 2 GLN HB3 1.0 1.8 3.5 492 444 A 27 VAL HA A 27 VAL HGy% 1.0 1.8 4.0 493 445 A 28 LEU HDx% A 28 LEU HB2 1.0 1.8 4.0 494 446 A 4 HIS HA A 4 HIS HB2 1.0 1.8 3.5 495 447 A 16 PRO HA A 16 PRO HB2 1.0 1.8 3.5 496 448 A 11 ILE HG12 A 11 ILE HA 1.0 1.8 3.5 497 449 A 32 TYR HA A 32 TYR HB3 1.0 1.8 3.5 498 450 A 31 TYR HA A 31 TYR HDx 1.0 1.8 3.5 499 450 A 31 TYR HA A 31 TYR HDy 1.0 1.8 3.5 500 451 A 2 GLN H A 2 GLN HB2 1.0 1.8 3.5 501 452 A 25 CYS HA A 25 CYS HB2 1.0 1.8 3.5 502 453 A 3 SER HA A 3 SER HB3 1.0 1.8 3.5 503 454 A 3 SER H A 3 SER HB3 1.0 1.8 3.5 504 455 A 32 TYR H A 32 TYR HB3 1.0 1.8 3.5 505 456 A 31 TYR HA A 31 TYR HB2 1.0 1.8 3.5 506 457 A 4 HIS HA A 4 HIS HB3 1.0 1.8 3.5 507 458 A 34 GLN H A 34 GLN HB2 1.0 1.8 3.5 508 459 A 11 ILE HG2% A 11 ILE HG13 1.0 1.8 4.0 509 460 A 16 PRO HD3 A 16 PRO HD2 1.0 1.8 2.5 510 461 A 16 PRO HA A 16 PRO HD2 1.0 1.8 3.9 511 462 A 13 TYR H A 13 TYR HD% 1.0 1.8 5.0 512 463 A 32 TYR H A 32 TYR HDx 1.0 1.8 5.0 513 463 A 32 TYR H A 32 TYR HDy 1.0 1.8 5.0 514 464 A 2 GLN HA A 2 GLN HB2 1.0 1.8 3.1 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 36 LEU H A 24 THR O 1.0 1.7 2.3 2 2 A 24 THR O A 36 LEU N 1.0 2.4 3.3 3 3 A 26 GLN H A 34 GLN O 1.0 1.7 2.3 4 4 A 34 GLN O A 26 GLN N 1.0 2.4 3.3 5 5 A 34 GLN H A 26 GLN O 1.0 1.7 2.3 6 6 A 26 GLN O A 34 GLN N 1.0 2.4 3.3 7 7 A 28 LEU H A 32 TYR O 1.0 1.7 2.3 8 8 A 32 TYR O A 28 LEU N 1.0 2.4 3.3 9 9 A 29 ASN H A 32 TYR O 1.0 1.7 2.3 10 10 A 32 TYR O A 29 ASN N 1.0 2.4 3.3 11 11 A 35 CYS H A 6 GLY O 1.0 1.7 2.3 12 12 A 6 GLY O A 35 CYS N 1.0 2.4 3.3 13 13 A 23 THR H A 20 ALA O 1.0 1.7 2.3 14 14 A 20 ALA O A 23 THR N 1.0 2.4 3.3 15 15 A 8 CYS H A 33 SER O 1.0 1.7 2.3 16 16 A 33 SER O A 8 CYS N 1.0 2.4 3.3 17 17 A 32 TYR H A 29 ASN O 1.0 1.7 2.3 18 18 A 29 ASN O A 32 TYR N 1.0 2.4 3.3 19 19 A 9 GLY H A 33 SER O 1.0 1.7 2.3 20 20 A 33 SER O A 9 GLY N 1.0 2.4 3.3 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _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 23 THR C A 24 THR CA A 24 THR N A 24 THR C 1.0 100.0 140.0 . 2 2 A 1 THR C A 2 GLN CA A 2 GLN N A 2 GLN C 1.0 100.0 140.0 . 3 3 A 2 GLN C A 3 SER CA A 3 SER N A 3 SER C 1.0 80.0 160.0 . 4 4 A 35 CYS C A 36 LEU CA A 36 LEU N A 36 LEU C 1.0 100.0 140.0 . 5 5 A 25 CYS C A 26 GLN CA A 26 GLN N A 26 GLN C 1.0 100.0 140.0 . 6 6 A 30 PRO C A 31 TYR CA A 31 TYR N A 31 TYR C 1.0 100.0 140.0 . 7 7 A 6 GLY C A 7 GLN CA A 7 GLN N A 7 GLN C 1.0 100.0 140.0 . 8 8 A 27 VAL C A 28 LEU CA A 28 LEU N A 28 LEU C 1.0 100.0 140.0 . 9 9 A 13 TYR C A 14 SER CA A 14 SER N A 14 SER C 1.0 100.0 140.0 . 10 10 A 16 PRO C A 17 THR CA A 17 THR N A 17 THR C 1.0 100.0 140.0 . 11 11 A 22 GLY C A 23 THR CA A 23 THR N A 23 THR C 1.0 100.0 140.0 . 12 12 A 7 GLN C A 8 CYS CA A 8 CYS N A 8 CYS C 1.0 100.0 140.0 . 13 13 A 32 TYR C A 33 SER CA A 33 SER N A 33 SER C 1.0 100.0 140.0 . 14 14 A 17 THR C A 18 VAL CA A 18 VAL N A 18 VAL C 1.0 100.0 140.0 . 15 15 A 31 TYR C A 32 TYR CA A 32 TYR N A 32 TYR C 1.0 80.0 160.0 . 16 16 A 8 CYS C A 9 GLY CA A 9 GLY N A 9 GLY C 1.0 80.0 160.0 . 17 17 A 14 SER C A 15 GLY CA A 15 GLY N A 15 GLY C 1.0 80.0 160.0 . 18 18 A 11 ILE C A 12 GLY CA A 12 GLY N A 12 GLY C 1.0 100.0 140.0 . 19 19 A 5 TYR C A 6 GLY CA A 6 GLY N A 6 GLY C 1.0 80.0 160.0 . 20 20 A 21 SER C A 22 GLY CA A 22 GLY N A 22 GLY C 1.0 80.0 160.0 . 21 21 A 9 GLY C A 10 GLY CA A 10 GLY N A 10 GLY C 1.0 80.0 160.0 . 22 22 A 12 GLY C A 13 TYR CA A 13 TYR N A 13 TYR C 1.0 80.0 160.0 . stop_ save_