data_nef_c25331_2mwj 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 25332 PDB 1CBH PDB 2MWJ 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 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 . 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 B 1 MAN H1 H 1 4.879 . B 2 MAN H1 H 1 4.942 . B 2 MAN H2 H 1 3.814 . B 2 MAN H3 H 1 3.725 . 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 A 1 THR HA H 1 4.568 0.006 A 1 THR HB H 1 4.148 0.001 A 1 THR HG2% H 1 1.301 0.004 A 2 GLN H H 1 9.373 0.001 A 2 GLN HA H 1 4.920 0.003 A 2 GLN HB2 H 1 1.775 0.006 A 2 GLN HB3 H 1 1.568 0.004 A 2 GLN HE21 H 1 8.831 0.009 A 2 GLN HE22 H 1 7.291 0.000 A 2 GLN HG2 H 1 2.791 0.006 A 2 GLN HG3 H 1 2.319 0.007 A 3 SER H H 1 9.227 0.004 A 3 SER HA H 1 4.466 0.005 A 3 SER HB2 H 1 4.169 0.005 A 3 SER HB3 H 1 3.868 0.006 A 4 HIS H H 1 8.924 0.042 A 4 HIS HA H 1 3.959 0.003 A 4 HIS HB2 H 1 3.096 0.011 A 4 HIS HB3 H 1 2.882 0.008 A 4 HIS HD2 H 1 6.741 0.011 A 4 HIS HE1 H 1 8.507 0.002 A 5 TYR H H 1 9.460 0.005 A 5 TYR HA H 1 4.026 0.005 A 5 TYR HB2 H 1 3.524 0.006 A 5 TYR HB3 H 1 3.114 0.006 A 5 TYR HDx H 1 6.790 0.006 A 5 TYR HDy H 1 6.790 0.006 A 5 TYR HEx H 1 6.425 0.004 A 5 TYR HEy H 1 6.425 0.004 A 6 GLY H H 1 8.767 0.002 A 6 GLY HA2 H 1 4.410 0.002 A 6 GLY HA3 H 1 3.320 0.003 A 7 GLN H H 1 8.649 0.021 A 7 GLN HA H 1 4.317 0.004 A 7 GLN HB2 H 1 2.086 0.052 A 7 GLN HB3 H 1 1.608 0.001 A 7 GLN HE21 H 1 7.279 0.002 A 7 GLN HE22 H 1 6.993 0.002 A 7 GLN HG2 H 1 2.298 0.002 A 7 GLN HG3 H 1 1.012 0.001 A 8 CYS H H 1 8.008 0.001 A 8 CYS HA H 1 5.243 0.017 A 8 CYS HB2 H 1 3.514 0.012 A 8 CYS HB3 H 1 2.782 0.003 A 9 GLY H H 1 6.666 0.001 A 9 GLY HA2 H 1 4.229 0.007 A 9 GLY HA3 H 1 3.828 0.007 A 10 GLY H H 1 8.661 0.025 A 10 GLY HA2 H 1 4.259 0.051 A 10 GLY HA3 H 1 3.837 0.004 A 11 ILE H H 1 8.323 0.019 A 11 ILE HA H 1 3.782 0.001 A 11 ILE HB H 1 1.277 0.005 A 11 ILE HD1% H 1 0.475 0.003 A 11 ILE HG12 H 1 1.494 0.005 A 11 ILE HG13 H 1 0.966 0.008 A 11 ILE HG2% H 1 0.900 0.003 A 12 GLY H H 1 9.099 0.007 A 12 GLY HA2 H 1 4.313 0.005 A 12 GLY HA3 H 1 3.734 0.004 A 13 TYR H H 1 7.947 0.010 A 13 TYR HA H 1 4.578 0.002 A 13 TYR HBx H 1 2.825 0.001 A 13 TYR HBy H 1 2.825 0.001 A 13 TYR HDx H 1 6.859 0.001 A 13 TYR HDy H 1 6.859 0.001 A 13 TYR HEx H 1 6.456 0.004 A 13 TYR HEy H 1 6.456 0.004 A 13 TYR HH H 1 9.206 0.047 A 14 SER H H 1 8.329 0.006 A 14 SER HA H 1 4.481 0.006 A 14 SER HB2 H 1 3.746 0.005 A 14 SER HB3 H 1 3.605 0.006 A 15 GLY H H 1 5.318 0.002 A 15 GLY HA2 H 1 4.003 0.003 A 15 GLY HA3 H 1 3.743 0.001 A 16 PRO HA H 1 4.458 0.002 A 16 PRO HB2 H 1 2.316 0.003 A 16 PRO HB3 H 1 1.678 0.004 A 16 PRO HD2 H 1 3.468 0.004 A 16 PRO HD3 H 1 3.754 0.003 A 16 PRO HGx H 1 2.044 0.002 A 16 PRO HGy H 1 2.044 0.002 A 17 THR H H 1 8.242 0.003 A 17 THR HA H 1 4.681 0.005 A 17 THR HB H 1 4.554 0.003 A 17 THR HG2% H 1 1.319 0.004 A 18 VAL H H 1 7.447 0.004 A 18 VAL HA H 1 4.059 0.006 A 18 VAL HB H 1 1.996 0.007 A 18 VAL HGx% H 1 0.949 0.004 A 18 VAL HGy% H 1 0.979 0.002 A 19 CYS H H 1 8.732 0.003 A 19 CYS HA H 1 4.397 0.005 A 19 CYS HB2 H 1 3.642 0.004 A 19 CYS HB3 H 1 2.261 0.004 A 20 ALA H H 1 7.505 0.002 A 20 ALA HA H 1 4.371 0.002 A 20 ALA HB% H 1 1.333 0.002 A 21 SER H H 1 8.714 0.001 A 21 SER HA H 1 4.179 0.001 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 8.903 0.005 A 22 GLY HA2 H 1 4.257 0.004 A 22 GLY HA3 H 1 3.598 0.005 A 23 THR H H 1 8.192 0.002 A 23 THR HA H 1 4.665 0.005 A 23 THR HB H 1 3.699 0.004 A 23 THR HG2% H 1 0.272 0.005 A 24 THR H H 1 9.375 0.003 A 24 THR HA H 1 4.498 0.004 A 24 THR HB H 1 4.015 0.003 A 24 THR HG2% H 1 1.111 0.004 A 25 CYS H H 1 8.874 0.005 A 25 CYS HA H 1 4.605 0.005 A 25 CYS HB2 H 1 3.174 0.005 A 25 CYS HB3 H 1 2.924 0.006 A 26 GLN H H 1 9.021 0.002 A 26 GLN HA H 1 4.575 0.004 A 26 GLN HB2 H 1 2.055 0.010 A 26 GLN HB3 H 1 1.926 0.010 A 26 GLN HE21 H 1 6.998 0.001 A 26 GLN HE22 H 1 6.733 0.002 A 26 GLN HG2 H 1 2.439 0.008 A 26 GLN HG3 H 1 2.243 0.003 A 27 VAL H H 1 8.681 0.005 A 27 VAL HA H 1 4.074 0.005 A 27 VAL HB H 1 1.926 0.004 A 27 VAL HGx% H 1 0.906 0.008 A 27 VAL HGy% H 1 0.680 0.004 A 28 LEU H H 1 8.655 0.003 A 28 LEU HA H 1 4.719 0.004 A 28 LEU HB2 H 1 1.937 0.007 A 28 LEU HB3 H 1 1.992 0.009 A 28 LEU HDx% H 1 1.055 0.003 A 28 LEU HDy% H 1 0.935 0.004 A 28 LEU HG H 1 1.818 0.003 A 29 ASN H H 1 8.626 0.002 A 29 ASN HA H 1 4.911 0.002 A 29 ASN HBx H 1 3.209 0.004 A 29 ASN HBy H 1 3.209 0.004 A 29 ASN HD21 H 1 7.826 0.001 A 29 ASN HD22 H 1 7.067 0.000 A 30 PRO HA H 1 4.208 0.007 A 30 PRO HB2 H 1 2.254 0.001 A 30 PRO HB3 H 1 1.245 0.002 A 30 PRO HD2 H 1 3.918 0.000 A 30 PRO HD3 H 1 3.726 0.006 A 30 PRO HGx H 1 2.104 0.012 A 30 PRO HGy H 1 2.104 0.012 A 31 TYR H H 1 8.700 0.003 A 31 TYR HA H 1 4.394 0.005 A 31 TYR HB2 H 1 3.385 0.004 A 31 TYR HB3 H 1 2.913 0.002 A 31 TYR HDx H 1 7.093 0.003 A 31 TYR HDy H 1 7.093 0.003 A 31 TYR HEx H 1 6.772 0.001 A 31 TYR HEy H 1 6.772 0.001 A 32 TYR H H 1 7.922 0.001 A 32 TYR HA H 1 4.607 0.007 A 32 TYR HB2 H 1 2.852 0.009 A 32 TYR HB3 H 1 2.742 0.002 A 32 TYR HDx H 1 6.916 0.004 A 32 TYR HDy H 1 6.916 0.004 A 32 TYR HEx H 1 6.548 0.004 A 32 TYR HEy H 1 6.548 0.004 A 33 SER H H 1 6.676 0.007 A 33 SER HA H 1 5.205 0.007 A 33 SER HB2 H 1 3.537 0.005 A 33 SER HB3 H 1 2.844 0.008 A 34 GLN H H 1 9.115 0.001 A 34 GLN HA H 1 4.789 0.000 A 34 GLN HB2 H 1 1.923 0.007 A 34 GLN HB3 H 1 1.564 0.006 A 34 GLN HE21 H 1 7.862 0.002 A 34 GLN HE22 H 1 6.711 0.004 A 34 GLN HG2 H 1 2.107 0.001 A 34 GLN HG3 H 1 2.023 0.024 A 35 CYS H H 1 8.486 0.002 A 35 CYS HA H 1 5.082 0.001 A 35 CYS HBx H 1 3.052 0.003 A 35 CYS HBy H 1 3.052 0.003 A 36 LEU H H 1 9.062 0.002 A 36 LEU HA H 1 4.518 0.005 A 36 LEU HB2 H 1 1.604 0.002 A 36 LEU HB3 H 1 1.568 0.005 A 36 LEU HDx% H 1 1.029 0.002 A 36 LEU HDy% H 1 0.952 0.005 A 36 LEU HG H 1 1.306 0.007 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 3.1 2 2 A 12 GLY H A 11 ILE 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 27 VAL H A 26 GLN HA 1.0 1.8 3.1 5 5 A 28 LEU H A 27 VAL HA 1.0 1.8 3.1 6 6 A 33 SER H A 32 TYR HA 1.0 1.8 3.1 7 7 A 17 THR H A 16 PRO HA 1.0 1.8 3.1 8 8 A 22 GLY H A 21 SER 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 19 CYS H A 18 VAL HA 1.0 1.8 3.1 11 11 A 10 GLY H A 9 GLY HA2 1.0 1.8 3.2 12 12 A 14 SER H A 13 TYR HA 1.0 1.8 3.1 13 13 A 36 LEU H A 35 CYS 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 25 CYS H A 24 THR HA 1.0 1.8 3.1 16 16 A 8 CYS H A 7 GLN HA 1.0 1.8 3.1 17 17 A 24 THR H A 23 THR HA 1.0 1.8 3.1 18 18 A 11 ILE H A 31 TYR HA 1.0 1.8 3.1 19 19 A 34 GLN H A 33 SER HA 1.0 1.8 3.1 20 20 A 31 TYR H A 32 TYR H 1.0 1.8 3.1 21 21 A 30 PRO HD2 A 29 ASN HBx 1.0 1.8 3.1 22 21 A 30 PRO HD2 A 29 ASN HBy 1.0 1.8 3.1 23 22 A 4 HIS H A 3 SER HA 1.0 1.8 3.1 24 23 A 17 THR H A 18 VAL H 1.0 1.8 3.1 25 24 A 3 SER H A 2 GLN HA 1.0 1.8 3.1 26 25 A 24 THR H A 23 THR HB 1.0 1.8 3.1 27 26 A 8 CYS H A 9 GLY H 1.0 1.8 3.2 28 27 A 30 PRO HD3 A 29 ASN HBx 1.0 1.8 3.5 29 27 A 29 ASN HBy A 30 PRO HD3 1.0 1.8 3.5 30 28 A 11 ILE H A 10 GLY HA2 1.0 1.8 2.5 31 29 A 5 TYR H A 4 HIS HD2 1.0 1.8 3.5 32 30 A 10 GLY H A 9 GLY HA3 1.0 1.8 3.2 33 31 A 28 LEU H A 33 SER HA 1.0 1.8 3.5 34 32 A 9 GLY H A 7 GLN HG2 1.0 1.8 3.5 35 33 A 5 TYR HDx A 36 LEU HDx% 1.0 1.8 4.0 36 34 A 2 GLN HE22 A 13 TYR HEx 1.0 1.8 3.5 37 35 A 4 HIS HD2 A 36 LEU HA 1.0 1.8 3.5 38 36 A 9 GLY H A 7 GLN HG3 1.0 1.8 3.5 39 37 A 22 GLY H A 23 THR H 1.0 1.8 3.5 40 38 A 5 TYR H A 35 CYS HBx 1.0 1.8 3.5 41 39 A 30 PRO HD3 A 29 ASN HA 1.0 1.8 3.5 42 40 A 13 TYR HH A 2 GLN HG2 1.0 1.8 3.5 43 41 A 25 CYS H A 24 THR HB 1.0 1.8 3.9 44 42 A 7 GLN HE22 A 13 TYR HBy 1.0 1.8 3.9 45 42 A 7 GLN HE22 A 13 TYR HBx 1.0 1.8 3.9 46 43 A 36 LEU HDx% A 5 TYR HEx 1.0 1.8 4.0 47 44 A 3 SER H A 2 GLN HG3 1.0 1.8 3.5 48 45 A 32 TYR HEx A 34 GLN HB2 1.0 1.8 3.5 49 46 A 4 HIS H A 3 SER HB2 1.0 1.8 3.5 50 47 A 1 THR HG2% A 19 CYS HB3 1.0 1.8 5.5 51 48 A 32 TYR HEx A 34 GLN HG2 1.0 1.8 3.9 52 49 A 31 TYR HDx A 11 ILE HB 1.0 1.8 3.5 53 50 A 7 GLN HE21 A 13 TYR HBy 1.0 1.8 3.9 54 50 A 13 TYR HBx A 7 GLN HE21 1.0 1.8 3.9 55 51 A 36 LEU H A 24 THR H 1.0 1.8 3.5 56 52 A 19 CYS HB3 A 35 CYS HBy 1.0 1.8 3.5 57 52 A 19 CYS HB3 A 35 CYS HBx 1.0 1.8 3.5 58 53 A 3 SER HA A 20 ALA HB% 1.0 1.8 4.0 59 54 A 12 GLY H A 13 TYR H 1.0 1.8 3.5 60 55 A 21 SER H A 20 ALA HB% 1.0 1.8 4.0 61 56 A 14 SER H A 15 GLY H 1.0 1.8 3.5 62 57 A 32 TYR HDx A 28 LEU HG 1.0 1.8 3.9 63 58 A 32 TYR HDx A 28 LEU HB3 1.0 1.8 3.5 64 59 A 27 VAL HA A 33 SER HA 1.0 1.8 3.5 65 60 A 19 CYS H A 18 VAL HGx% 1.0 1.8 4.4 66 61 A 6 GLY H A 35 CYS HBy 1.0 1.8 3.5 67 61 A 35 CYS HBx A 6 GLY H 1.0 1.8 3.5 68 62 A 9 GLY HA2 A 33 SER HB2 1.0 1.8 3.9 69 63 A 12 GLY H A 11 ILE HG2% 1.0 1.8 4.0 70 64 A 32 TYR H A 31 TYR HB2 1.0 1.8 3.9 71 65 A 36 LEU H A 23 THR HB 1.0 1.8 3.9 72 66 A 34 GLN H A 33 SER HB3 1.0 1.8 3.9 73 67 A 4 HIS HD2 A 23 THR HG2% 1.0 1.8 4.4 74 68 A 29 ASN H A 27 VAL HGx% 1.0 1.8 4.4 75 69 A 32 TYR HDx A 28 LEU HDy% 1.0 1.8 3.5 76 70 A 2 GLN HE22 A 15 GLY HA3 1.0 1.8 3.9 77 71 A 34 GLN HE21 A 5 TYR HA 1.0 1.8 3.9 78 72 A 11 ILE HG2% A 31 TYR HEx 1.0 1.8 4.4 79 73 A 8 CYS HB2 A 17 THR HA 1.0 1.8 3.5 80 74 A 7 GLN HA A 9 GLY H 1.0 1.8 3.5 81 75 A 13 TYR H A 12 GLY HA3 1.0 1.8 3.9 82 76 A 5 TYR H A 6 GLY H 1.0 1.8 3.9 83 77 A 26 GLN H A 34 GLN H 1.0 1.8 3.9 84 78 A 8 CYS H A 7 GLN HG3 1.0 1.8 3.9 85 79 A 11 ILE HB A 31 TYR HEx 1.0 1.8 3.9 86 80 A 28 LEU HG A 29 ASN H 1.0 1.8 3.9 87 81 A 4 HIS HD2 A 36 LEU HDx% 1.0 1.8 4.4 88 82 A 13 TYR HH A 2 GLN HE21 1.0 1.8 3.9 89 83 A 4 HIS H A 3 SER HB3 1.0 1.8 3.9 90 84 A 32 TYR H A 29 ASN H 1.0 1.8 3.9 91 85 A 4 HIS HA A 23 THR HG2% 1.0 1.8 4.4 92 86 A 32 TYR HEx A 28 LEU HDy% 1.0 1.8 3.5 93 87 A 26 GLN H A 35 CYS HA 1.0 1.8 3.5 94 88 A 13 TYR HH A 2 GLN HG3 1.0 1.8 3.9 95 89 A 9 GLY H A 7 GLN HE21 1.0 1.8 3.9 96 90 A 21 SER HA A 23 THR H 1.0 1.8 3.9 97 91 A 2 GLN HE22 A 16 PRO HGx 1.0 1.8 3.9 98 91 A 2 GLN HE22 A 16 PRO HGy 1.0 1.8 3.9 99 92 A 34 GLN HE21 A 5 TYR HB3 1.0 1.8 3.9 100 93 A 4 HIS HD2 A 5 TYR HA 1.0 1.8 3.9 101 94 A 32 TYR HA A 7 GLN HE21 1.0 1.8 3.5 102 95 A 13 TYR H A 12 GLY HA2 1.0 1.8 3.9 103 96 A 10 GLY H A 33 SER HB2 1.0 1.8 3.9 104 97 A 31 TYR HEx A 11 ILE HD1% 1.0 1.8 4.4 105 98 A 4 HIS H A 20 ALA HB% 1.0 1.8 4.4 106 99 A 25 CYS H A 24 THR HG2% 1.0 1.8 4.4 107 100 A 2 GLN H A 19 CYS HA 1.0 1.8 3.5 108 101 A 26 GLN HE22 A 36 LEU HB2 1.0 1.8 3.9 109 102 A 31 TYR H A 30 PRO HD2 1.0 1.8 3.9 110 103 A 1 THR HG2% A 2 GLN H 1.0 1.8 4.4 111 104 A 32 TYR HEy A 7 GLN HB3 1.0 1.8 3.9 112 105 A 3 SER H A 2 GLN HG2 1.0 1.8 3.9 113 106 A 17 THR HA A 8 CYS HA 1.0 1.8 3.9 114 107 A 22 GLY H A 21 SER HBx 1.0 1.8 3.9 115 107 A 22 GLY H A 21 SER HBy 1.0 1.8 3.9 116 108 A 23 THR H A 22 GLY HA3 1.0 1.8 3.9 117 109 A 8 CYS H A 7 GLN HG2 1.0 1.8 3.9 118 110 A 23 THR H A 22 GLY HA2 1.0 1.8 3.9 119 111 A 32 TYR HA A 7 GLN HE22 1.0 1.8 3.5 120 112 A 14 SER H A 13 TYR HBy 1.0 1.8 5.0 121 112 A 14 SER H A 13 TYR HBx 1.0 1.8 5.0 122 113 A 28 LEU H A 27 VAL HGy% 1.0 1.8 4.4 123 114 A 36 LEU H A 35 CYS HBy 1.0 1.8 3.9 124 114 A 36 LEU H A 35 CYS HBx 1.0 1.8 3.9 125 115 A 29 ASN HD22 A 32 TYR HB3 1.0 1.8 3.9 126 116 A 31 TYR HDx A 11 ILE HG2% 1.0 1.8 4.4 127 117 A 2 GLN H A 1 THR HB 1.0 1.8 3.1 128 118 A 28 LEU H A 27 VAL HGx% 1.0 1.8 4.4 129 119 A 31 TYR H A 30 PRO HD3 1.0 1.8 3.9 130 120 A 9 GLY H A 8 CYS HA 1.0 1.8 3.9 131 121 A 2 GLN HE22 A 8 CYS HA 1.0 1.8 3.9 132 122 A 29 ASN H A 28 LEU HA 1.0 1.8 3.9 133 123 A 5 TYR HB3 A 34 GLN HE22 1.0 1.8 3.9 134 124 A 16 PRO HA A 18 VAL H 1.0 1.8 3.9 135 125 A 24 THR H A 23 THR HG2% 1.0 1.8 4.4 136 126 A 17 THR H A 16 PRO HB3 1.0 1.8 3.9 137 127 A 7 GLN HA A 32 TYR HEy 1.0 1.8 3.9 138 128 A 4 HIS HE1 A 5 TYR HEy 1.0 1.8 3.5 139 129 A 28 LEU H A 34 GLN H 1.0 1.8 3.9 140 130 A 32 TYR HEx A 28 LEU HG 1.0 1.8 5.0 141 131 A 32 TYR HDx A 28 LEU HDx% 1.0 1.8 4.4 142 132 A 5 TYR HDx A 34 GLN HE21 1.0 1.8 3.9 143 133 A 7 GLN HG3 A 32 TYR HEy 1.0 1.8 3.9 144 134 A 26 GLN H A 25 CYS H 1.0 1.8 3.9 145 135 A 31 TYR H A 29 ASN HBx 1.0 1.8 3.9 146 135 A 31 TYR H A 29 ASN HBy 1.0 1.8 3.9 147 136 A 17 THR H A 16 PRO HB2 1.0 1.8 3.9 148 137 A 31 TYR HDx A 11 ILE HD1% 1.0 1.8 4.4 149 138 A 31 TYR HA A 32 TYR H 1.0 1.8 3.9 150 139 A 15 GLY H A 14 SER HA 1.0 1.8 3.5 151 140 A 32 TYR H A 30 PRO HA 1.0 1.8 3.9 152 141 A 27 VAL HA A 34 GLN H 1.0 1.8 3.9 153 142 A 18 VAL H A 1 THR HB 1.0 1.8 5.0 154 143 A 34 GLN HE21 A 5 TYR HB2 1.0 1.8 3.9 155 144 A 18 VAL H A 17 THR HA 1.0 1.8 3.9 156 145 A 2 GLN HE22 A 16 PRO HD2 1.0 1.8 3.9 157 146 A 25 CYS H A 24 THR H 1.0 1.8 5.0 158 147 A 5 TYR H A 35 CYS H 1.0 1.8 5.0 159 148 A 9 GLY H A 7 GLN HB3 1.0 1.8 5.0 160 149 A 32 TYR HEx A 28 LEU HDx% 1.0 1.8 5.0 161 150 A 5 TYR H A 4 HIS H 1.0 1.8 5.0 162 151 A 23 THR HG2% A 4 HIS HE1 1.0 1.8 5.5 163 152 A 18 VAL H A 17 THR HG2% 1.0 1.8 5.0 164 153 A 5 TYR H A 36 LEU HA 1.0 1.8 5.0 165 154 A 35 CYS HA A 24 THR H 1.0 1.8 5.0 166 155 A 2 GLN HE22 A 17 THR HA 1.0 1.8 5.0 167 156 A 2 GLN HE22 A 15 GLY H 1.0 1.8 5.0 168 157 A 23 THR HB A 35 CYS HBy 1.0 1.8 3.9 169 157 A 23 THR HB A 35 CYS HBx 1.0 1.8 3.9 170 158 A 34 GLN HG2 A 35 CYS H 1.0 1.8 3.9 171 159 A 35 CYS H A 34 GLN HG3 1.0 1.8 3.9 172 160 A 8 CYS H A 33 SER HB2 1.0 1.8 3.9 173 161 A 25 CYS HA A 36 LEU H 1.0 1.8 3.9 174 162 A 34 GLN H A 33 SER HB2 1.0 1.8 3.9 175 163 A 5 TYR HA A 35 CYS HBy 1.0 1.8 5.0 176 163 A 35 CYS HBx A 5 TYR HA 1.0 1.8 5.0 177 164 A 27 VAL H A 26 GLN HB3 1.0 1.8 3.9 178 165 A 2 GLN HG3 A 6 GLY H 1.0 1.8 3.9 179 166 A 14 SER H A 13 TYR HDx 1.0 1.8 3.9 180 167 A 3 SER H A 2 GLN HB3 1.0 1.8 3.9 181 168 A 2 GLN HE22 A 16 PRO HB2 1.0 1.8 5.0 182 169 A 34 GLN H A 28 LEU HG 1.0 1.8 5.0 183 170 A 10 GLY H A 9 GLY H 1.0 1.8 5.0 184 171 A 25 CYS HA A 34 GLN H 1.0 1.8 5.0 185 172 A 3 SER H A 6 GLY HA3 1.0 1.8 3.9 186 173 A 2 GLN H A 16 PRO HB2 1.0 1.8 5.0 187 174 A 13 TYR HH A 16 PRO HB2 1.0 1.8 4.6 188 175 A 13 TYR HH A 2 GLN HB3 1.0 1.8 4.6 189 176 A 26 GLN H A 25 CYS HB2 1.0 1.8 5.0 190 177 A 3 SER H A 2 GLN HB2 1.0 1.8 3.9 191 178 A 13 TYR HH A 2 GLN HB2 1.0 1.8 5.0 192 179 A 5 TYR H A 23 THR HG2% 1.0 1.8 4.4 193 180 A 36 LEU H A 23 THR HA 1.0 1.8 3.9 194 181 A 5 TYR H A 36 LEU HDx% 1.0 1.8 4.4 195 182 A 25 CYS H A 26 GLN HG2 1.0 1.8 5.0 196 183 A 5 TYR H A 4 HIS HB2 1.0 1.8 5.0 197 184 A 13 TYR HH A 6 GLY HA3 1.0 1.8 4.6 198 185 A 11 ILE H A 31 TYR HDx 1.0 1.8 4.6 199 186 A 13 TYR HH A 16 PRO HGx 1.0 1.8 4.6 200 186 A 13 TYR HH A 16 PRO HGy 1.0 1.8 4.6 201 187 A 4 HIS H A 23 THR HG2% 1.0 1.8 5.5 202 188 A 36 LEU H A 23 THR HG2% 1.0 1.8 5.5 203 189 A 9 GLY H A 34 GLN HA 1.0 1.8 5.0 204 190 A 28 LEU H A 32 TYR H 1.0 1.8 5.0 205 191 A 6 GLY H A 35 CYS H 1.0 1.8 3.9 206 192 A 33 SER HA A 29 ASN H 1.0 1.8 3.9 207 193 A 3 SER HB2 A 6 GLY HA3 1.0 1.8 3.9 208 194 A 7 GLN HA A 35 CYS H 1.0 1.8 3.9 209 195 A 2 GLN HE22 A 15 GLY HA3 1.0 1.8 5.0 210 196 A 32 TYR HA A 33 SER HB2 1.0 1.8 5.0 211 197 A 16 PRO HD2 A 15 GLY HA2 1.0 1.8 3.1 212 198 A 3 SER HA A 20 ALA HB% 1.0 1.8 3.5 213 199 A 20 ALA HB% A 1 THR HB 1.0 1.8 4.4 214 200 A 20 ALA HA A 1 THR HG2% 1.0 1.8 4.4 215 201 A 26 GLN HA A 27 VAL HGy% 1.0 1.8 4.4 216 202 A 8 CYS HA A 17 THR HG2% 1.0 1.8 5.5 217 203 A 7 GLN HA A 34 GLN HA 1.0 1.8 3.5 218 204 A 33 SER H A 9 GLY HA2 1.0 1.8 5.0 219 205 A 33 SER H A 7 GLN HA 1.0 1.8 5.0 220 206 A 33 SER H A 7 GLN HG3 1.0 1.8 3.5 221 207 A 36 LEU H A 4 HIS HD2 1.0 1.8 5.0 222 208 A 18 VAL H A 2 GLN H 1.0 1.8 5.0 223 209 A 5 TYR H A 34 GLN HE21 1.0 1.8 5.0 224 210 A 24 THR H A 23 THR H 1.0 1.8 5.0 225 211 A 29 ASN H A 32 TYR HB2 1.0 1.8 5.0 226 212 A 32 TYR H A 31 TYR HB3 1.0 1.8 5.0 227 213 A 17 THR H A 18 VAL HGy% 1.0 1.8 4.4 228 214 A 13 TYR HH A 8 CYS HA 1.0 1.8 3.5 229 215 A 36 LEU HA A 35 CYS HBy 1.0 1.8 5.0 230 215 A 36 LEU HA A 35 CYS HBx 1.0 1.8 5.0 231 216 A 9 GLY HA3 A 13 TYR HDy 1.0 1.8 5.0 232 217 A 11 ILE HA A 31 TYR HDx 1.0 1.8 5.0 233 218 A 4 HIS HA A 6 GLY H 1.0 1.8 3.9 234 219 A 3 SER HB2 A 6 GLY H 1.0 1.8 4.6 235 220 A 8 CYS H A 7 GLN HB2 1.0 1.8 4.6 236 221 A 8 CYS H A 7 GLN HB3 1.0 1.8 4.6 237 222 A 9 GLY H A 33 SER HB2 1.0 1.8 3.1 238 223 A 9 GLY H A 33 SER HB3 1.0 1.8 3.9 239 224 A 11 ILE H A 31 TYR HB3 1.0 1.8 4.6 240 225 A 7 GLN HG3 A 32 TYR HDy 1.0 1.8 3.9 241 226 A 6 GLY H A 5 TYR HA 1.0 1.8 3.5 242 227 A 35 CYS H A 34 GLN HA 1.0 1.8 3.1 243 228 A 4 HIS HA A 35 CYS HBy 1.0 1.8 3.9 244 228 A 4 HIS HA A 35 CYS HBx 1.0 1.8 3.9 245 229 A 3 SER HA A 20 ALA H 1.0 1.8 3.9 246 230 A 19 CYS HA A 20 ALA H 1.0 1.8 2.5 247 231 A 19 CYS HB3 A 20 ALA H 1.0 1.8 3.1 248 232 A 20 ALA H A 19 CYS HB2 1.0 1.8 3.9 249 233 A 20 ALA H A 1 THR HA 1.0 1.8 5.0 250 234 A 1 THR HB A 20 ALA H 1.0 1.8 5.0 251 235 A 23 THR HG2% A 4 HIS HB3 1.0 1.8 4.4 252 236 A 23 THR HG2% A 4 HIS HB2 1.0 1.8 4.4 253 237 A 11 ILE H A 10 GLY HA3 1.0 1.8 3.2 254 238 A 27 VAL HA A 29 ASN H 1.0 1.8 5.0 255 239 A 2 GLN H A 1 THR HA 1.0 1.8 3.1 256 240 A 9 GLY H A 7 GLN HE21 1.0 1.8 5.0 257 241 A 31 TYR HDy A 29 ASN HBx 1.0 1.8 5.0 258 241 A 29 ASN HBy A 31 TYR HDy 1.0 1.8 5.0 259 242 A 31 TYR HDy A 30 PRO HB3 1.0 1.8 5.0 260 243 A 32 TYR H A 10 GLY HA2 1.0 1.8 3.5 261 244 A 1 THR HB A 18 VAL HGx% 1.0 1.8 5.0 262 245 A 9 GLY HA2 A 9 GLY HA3 1.0 1.8 2.0 263 246 A 22 GLY HA3 A 22 GLY HA2 1.0 1.8 2.0 264 247 A 25 CYS HB2 A 25 CYS HB3 1.0 1.8 2.0 265 248 A 26 GLN HE22 A 26 GLN HE21 1.0 1.8 2.0 266 249 A 4 HIS HB2 A 4 HIS HB3 1.0 1.8 2.0 267 250 A 5 TYR HB3 A 5 TYR HB2 1.0 1.8 2.0 268 251 A 32 TYR HB3 A 32 TYR HB2 1.0 1.8 2.0 269 252 A 31 TYR HB2 A 31 TYR HB3 1.0 1.8 2.0 270 253 A 14 SER HB2 A 14 SER HB3 1.0 1.8 2.0 271 254 A 8 CYS HB2 A 8 CYS HB3 1.0 1.8 2.0 272 255 A 6 GLY HA3 A 6 GLY HA2 1.0 1.8 2.0 273 256 A 33 SER HB2 A 33 SER HB3 1.0 1.8 2.0 274 257 A 30 PRO HB3 A 30 PRO HB2 1.0 1.8 2.0 275 258 A 29 ASN HD22 A 29 ASN HD21 1.0 1.8 2.0 276 259 A 3 SER HB2 A 3 SER HB3 1.0 1.8 2.0 277 260 A 34 GLN HE21 A 34 GLN HE22 1.0 1.8 2.0 278 261 A 19 CYS HB3 A 19 CYS HB2 1.0 1.8 2.0 279 262 A 16 PRO HB3 A 16 PRO HB2 1.0 1.8 2.0 280 263 A 7 GLN HE22 A 7 GLN HE21 1.0 1.8 2.0 281 264 A 7 GLN HG2 A 7 GLN HG3 1.0 1.8 2.0 282 265 A 2 GLN HG2 A 2 GLN HG3 1.0 1.8 2.0 283 266 A 11 ILE HG13 A 11 ILE HG12 1.0 1.8 2.0 284 267 A 26 GLN HG2 A 26 GLN HG3 1.0 1.8 2.0 285 268 A 27 VAL HGx% A 27 VAL HGy% 1.0 1.8 3.6 286 269 A 16 PRO HD2 A 16 PRO HD3 1.0 1.8 2.0 287 270 A 2 GLN HE22 A 2 GLN HE21 1.0 1.8 2.0 288 271 A 5 TYR HDx A 5 TYR HEy 1.0 1.8 2.8 289 271 A 5 TYR HEy A 5 TYR HDy 1.0 1.8 2.8 290 271 A 5 TYR HDx A 5 TYR HEx 1.0 1.8 2.8 291 271 A 5 TYR HEx A 5 TYR HDy 1.0 1.8 2.8 292 272 A 32 TYR HEy A 32 TYR HDy 1.0 1.8 2.8 293 272 A 32 TYR HEx A 32 TYR HDy 1.0 1.8 2.8 294 272 A 32 TYR HDx A 32 TYR HEy 1.0 1.8 2.8 295 272 A 32 TYR HEx A 32 TYR HDx 1.0 1.8 2.8 296 273 A 36 LEU HDy% A 36 LEU HG 1.0 1.8 3.6 297 274 A 1 THR HG2% A 1 THR HB 1.0 1.8 3.6 298 275 A 5 TYR H A 5 TYR HA 1.0 1.8 3.1 299 276 A 29 ASN HA A 29 ASN HBx 1.0 1.8 3.1 300 276 A 29 ASN HBy A 29 ASN HA 1.0 1.8 3.1 301 277 A 13 TYR HA A 13 TYR HBx 1.0 1.8 3.1 302 278 A 23 THR HB A 23 THR HG2% 1.0 1.8 3.6 303 279 A 20 ALA HA A 20 ALA HB% 1.0 1.8 3.6 304 280 A 23 THR HA A 23 THR HB 1.0 1.8 4.0 305 281 A 24 THR HB A 24 THR HG2% 1.0 1.8 4.0 306 282 A 6 GLY H A 6 GLY HA2 1.0 1.8 3.1 307 283 A 11 ILE HG13 A 11 ILE HD1% 1.0 1.8 3.5 308 284 A 36 LEU HDx% A 36 LEU HG 1.0 1.8 4.0 309 285 A 22 GLY H A 22 GLY HA2 1.0 1.8 3.5 310 286 A 36 LEU HA A 36 LEU HB3 1.0 1.8 3.5 311 286 A 36 LEU HA A 36 LEU HB2 1.0 1.8 3.5 312 287 A 8 CYS HB2 A 8 CYS HA 1.0 1.8 3.5 313 288 A 3 SER HA A 3 SER HB2 1.0 1.8 3.5 314 289 A 31 TYR HA A 31 TYR HB3 1.0 1.8 3.5 315 290 A 8 CYS HA A 8 CYS HB3 1.0 1.8 3.5 316 291 A 35 CYS HA A 35 CYS HBy 1.0 1.8 3.5 317 291 A 35 CYS HA A 35 CYS HBx 1.0 1.8 3.5 318 292 A 14 SER HA A 14 SER HB3 1.0 1.8 3.5 319 293 A 11 ILE HB A 11 ILE HG2% 1.0 1.8 4.0 320 294 A 25 CYS HA A 25 CYS HB3 1.0 1.8 3.5 321 295 A 14 SER HA A 14 SER HB2 1.0 1.8 3.5 322 296 A 4 HIS HA A 4 HIS HB3 1.0 1.8 3.5 323 297 A 30 PRO HA A 30 PRO HB3 1.0 1.8 3.5 324 298 A 5 TYR HA A 5 TYR HB2 1.0 1.8 3.5 325 299 A 30 PRO HA A 30 PRO HB2 1.0 1.8 3.5 326 300 A 6 GLY H A 6 GLY HA3 1.0 1.8 3.1 327 301 A 16 PRO HA A 16 PRO HB3 1.0 1.8 3.5 328 302 A 19 CYS HB3 A 19 CYS HA 1.0 1.8 3.5 329 303 A 33 SER HA A 33 SER HB3 1.0 1.8 3.5 330 304 A 24 THR HA A 24 THR HB 1.0 1.8 3.5 331 305 A 12 GLY H A 12 GLY HA2 1.0 1.8 3.1 332 306 A 25 CYS HA A 25 CYS HB2 1.0 1.8 3.5 333 307 A 11 ILE HG12 A 11 ILE HD1% 1.0 1.8 4.0 334 308 A 12 GLY H A 12 GLY HA3 1.0 1.8 3.5 335 309 A 7 GLN HA A 7 GLN H 1.0 1.8 3.1 336 310 A 9 GLY HA2 A 9 GLY H 1.0 1.8 3.1 337 311 A 4 HIS HA A 4 HIS HB2 1.0 1.8 3.5 338 312 A 21 SER HA A 21 SER H 1.0 1.8 3.5 339 313 A 9 GLY H A 9 GLY HA3 1.0 1.8 3.1 340 314 A 28 LEU HG A 28 LEU HDy% 1.0 1.8 3.1 341 315 A 23 THR HA A 23 THR H 1.0 1.8 3.9 342 316 A 31 TYR HA A 31 TYR HB2 1.0 1.8 3.9 343 317 A 3 SER HA A 3 SER HB3 1.0 1.8 3.9 344 318 A 22 GLY H A 22 GLY HA3 1.0 1.8 3.9 345 319 A 11 ILE HG2% A 11 ILE HD1% 1.0 1.8 4.4 346 320 A 16 PRO HA A 16 PRO HB2 1.0 1.8 3.9 347 321 A 13 TYR HA A 13 TYR H 1.0 1.8 3.9 348 322 A 32 TYR HA A 32 TYR H 1.0 1.8 3.9 349 323 A 25 CYS HA A 25 CYS H 1.0 1.8 3.1 350 324 A 24 THR HA A 24 THR H 1.0 1.8 3.1 351 325 A 15 GLY H A 15 GLY HA2 1.0 1.8 3.9 352 326 A 3 SER HA A 3 SER H 1.0 1.8 3.9 353 327 A 29 ASN HA A 29 ASN H 1.0 1.8 3.9 354 328 A 17 THR H A 17 THR HA 1.0 1.8 3.9 355 329 A 36 LEU H A 36 LEU HA 1.0 1.8 3.1 356 330 A 18 VAL HA A 18 VAL H 1.0 1.8 3.9 357 331 A 35 CYS HA A 35 CYS H 1.0 1.8 3.1 358 332 A 4 HIS HA A 4 HIS H 1.0 1.8 3.9 359 333 A 33 SER HA A 33 SER HB2 1.0 1.8 3.9 360 334 A 33 SER H A 33 SER HA 1.0 1.8 3.1 361 335 A 28 LEU HG A 28 LEU HDx% 1.0 1.8 3.1 362 336 A 15 GLY H A 15 GLY HA3 1.0 1.8 3.9 363 337 A 2 GLN HA A 2 GLN H 1.0 1.8 3.9 364 338 A 8 CYS H A 8 CYS HA 1.0 1.8 3.9 365 339 A 28 LEU H A 28 LEU HA 1.0 1.8 3.9 366 340 A 17 THR HG2% A 17 THR HB 1.0 1.8 3.6 367 341 A 24 THR H A 24 THR HB 1.0 1.8 3.1 368 342 A 13 TYR HBx A 13 TYR H 1.0 1.8 3.1 369 343 A 27 VAL H A 27 VAL HB 1.0 1.8 3.1 370 344 A 36 LEU HDy% A 36 LEU HB2 1.0 1.8 3.6 371 345 A 31 TYR HDx A 31 TYR HB3 1.0 1.8 3.1 372 345 A 31 TYR HB3 A 31 TYR HDy 1.0 1.8 3.1 373 346 A 5 TYR HDx A 5 TYR HB3 1.0 1.8 3.1 374 346 A 5 TYR HB3 A 5 TYR HDy 1.0 1.8 3.1 375 347 A 5 TYR HDx A 5 TYR HB2 1.0 1.8 3.1 376 347 A 5 TYR HB2 A 5 TYR HDy 1.0 1.8 3.1 377 348 A 13 TYR HBx A 13 TYR HDx 1.0 1.8 3.1 378 348 A 13 TYR HBx A 13 TYR HDy 1.0 1.8 3.1 379 349 A 35 CYS H A 35 CYS HBy 1.0 1.8 3.1 380 349 A 35 CYS HBx A 35 CYS H 1.0 1.8 3.1 381 350 A 32 TYR HDx A 32 TYR HB3 1.0 1.8 3.1 382 350 A 32 TYR HB3 A 32 TYR HDy 1.0 1.8 3.1 383 351 A 33 SER H A 33 SER HB2 1.0 1.8 3.5 384 352 A 21 SER H A 21 SER HBx 1.0 1.8 3.5 385 352 A 21 SER H A 21 SER HBy 1.0 1.8 3.5 386 353 A 4 HIS H A 4 HIS HB2 1.0 1.8 3.5 387 354 A 32 TYR HDx A 32 TYR HB2 1.0 1.8 3.5 388 354 A 32 TYR HB2 A 32 TYR HDy 1.0 1.8 3.5 389 355 A 17 THR HA A 17 THR HG2% 1.0 1.8 4.0 390 356 A 29 ASN HD21 A 29 ASN HBx 1.0 1.8 3.5 391 356 A 29 ASN HBy A 29 ASN HD21 1.0 1.8 3.5 392 357 A 11 ILE H A 11 ILE HG13 1.0 1.8 3.5 393 358 A 31 TYR HDx A 31 TYR HB3 1.0 1.8 3.5 394 358 A 31 TYR HB3 A 31 TYR HDy 1.0 1.8 3.5 395 359 A 19 CYS H A 19 CYS HB2 1.0 1.8 3.5 396 360 A 25 CYS H A 25 CYS HB2 1.0 1.8 3.5 397 361 A 18 VAL HA A 18 VAL HGx% 1.0 1.8 4.0 398 362 A 27 VAL H A 27 VAL HGx% 1.0 1.8 4.0 399 363 A 4 HIS H A 4 HIS HB3 1.0 1.8 3.5 400 364 A 11 ILE HA A 11 ILE HG2% 1.0 1.8 4.0 401 365 A 18 VAL HA A 18 VAL HGy% 1.0 1.8 4.0 402 366 A 27 VAL HA A 27 VAL HGx% 1.0 1.8 4.0 403 367 A 7 GLN HG3 A 7 GLN HE21 1.0 1.8 3.5 404 368 A 11 ILE H A 11 ILE HB 1.0 1.8 3.5 405 369 A 36 LEU H A 36 LEU HB2 1.0 1.8 3.5 406 370 A 36 LEU HDx% A 36 LEU HB3 1.0 1.8 4.0 407 371 A 11 ILE HB A 11 ILE HD1% 1.0 1.8 4.0 408 372 A 25 CYS H A 25 CYS HB3 1.0 1.8 3.5 409 373 A 23 THR HA A 23 THR HG2% 1.0 1.8 4.0 410 374 A 18 VAL H A 18 VAL HGy% 1.0 1.8 4.0 411 374 A 18 VAL H A 18 VAL HGx% 1.0 1.8 4.0 412 375 A 4 HIS HA A 4 HIS HD2 1.0 1.8 3.5 413 376 A 24 THR HA A 24 THR HG2% 1.0 1.8 4.0 414 377 A 31 TYR H A 31 TYR HB2 1.0 1.8 3.5 415 378 A 2 GLN H A 2 GLN HB2 1.0 1.8 3.5 416 379 A 18 VAL H A 18 VAL HB 1.0 1.8 3.5 417 380 A 27 VAL HA A 27 VAL HGy% 1.0 1.8 4.0 418 381 A 32 TYR HA A 32 TYR HDy 1.0 1.8 3.5 419 381 A 32 TYR HA A 32 TYR HDx 1.0 1.8 3.5 420 382 A 26 GLN H A 26 GLN HB2 1.0 1.8 3.5 421 383 A 31 TYR HA A 31 TYR HDx 1.0 1.8 3.5 422 383 A 31 TYR HA A 31 TYR HDy 1.0 1.8 3.5 423 384 A 2 GLN H A 2 GLN HB3 1.0 1.8 3.5 424 385 A 28 LEU H A 28 LEU HG 1.0 1.8 5.0 425 386 A 3 SER H A 3 SER HB2 1.0 1.8 3.9 426 387 A 7 GLN HG2 A 7 GLN HE21 1.0 1.8 3.9 427 388 A 3 SER H A 3 SER HB3 1.0 1.8 3.9 428 389 A 34 GLN HE21 A 34 GLN HG3 1.0 1.8 3.9 429 390 A 17 THR H A 17 THR HG2% 1.0 1.8 4.4 430 391 A 34 GLN H A 34 GLN HB3 1.0 1.8 3.9 431 392 A 33 SER H A 33 SER HB3 1.0 1.8 3.9 432 393 A 19 CYS H A 19 CYS HB3 1.0 1.8 3.9 433 394 A 27 VAL H A 27 VAL HGy% 1.0 1.8 4.4 434 395 A 34 GLN H A 34 GLN HB2 1.0 1.8 3.9 435 396 A 32 TYR H A 32 TYR HB2 1.0 1.8 3.9 436 397 A 23 THR H A 23 THR HG2% 1.0 1.8 4.4 437 398 A 29 ASN HD21 A 29 ASN HBx 1.0 1.8 3.9 438 398 A 29 ASN HBy A 29 ASN HD21 1.0 1.8 3.9 439 399 A 26 GLN HE21 A 26 GLN HG3 1.0 1.8 3.9 440 400 A 26 GLN H A 26 GLN HB3 1.0 1.8 3.9 441 401 A 31 TYR H A 31 TYR HB3 1.0 1.8 3.9 442 402 A 11 ILE H A 11 ILE HG12 1.0 1.8 3.9 443 403 A 13 TYR HA A 13 TYR HDx 1.0 1.8 3.9 444 403 A 13 TYR HA A 13 TYR HDy 1.0 1.8 3.9 445 404 A 29 ASN H A 29 ASN HBx 1.0 1.8 3.9 446 404 A 29 ASN HBy A 29 ASN H 1.0 1.8 3.9 447 405 A 7 GLN HG3 A 7 GLN HE22 1.0 1.8 3.9 448 406 A 24 THR H A 24 THR HG2% 1.0 1.8 4.4 449 407 A 5 TYR H A 5 TYR HB2 1.0 1.8 3.9 450 408 A 11 ILE H A 11 ILE HG2% 1.0 1.8 4.4 451 409 A 7 GLN HG2 A 7 GLN HE22 1.0 1.8 3.9 452 410 A 34 GLN HG2 A 34 GLN HE21 1.0 1.8 3.9 453 411 A 4 HIS HD2 A 4 HIS HB3 1.0 1.8 3.9 454 412 A 11 ILE H A 11 ILE HD1% 1.0 1.8 4.4 455 413 A 14 SER H A 14 SER HB2 1.0 1.8 3.9 456 414 A 34 GLN HE22 A 34 GLN HG3 1.0 1.8 3.9 457 415 A 4 HIS HD2 A 4 HIS HB2 1.0 1.8 3.9 458 416 A 16 PRO HD2 A 16 PRO HD3 1.0 1.8 3.1 459 417 A 36 LEU H A 36 LEU HDx% 1.0 1.8 3.9 460 418 A 36 LEU H A 36 LEU HDy% 1.0 1.8 3.9 461 419 A 36 LEU H A 36 LEU HG 1.0 1.8 3.9 462 420 A 29 ASN HA A 29 ASN HD21 1.0 1.8 5.0 463 421 A 16 PRO HA A 16 PRO HD2 1.0 1.8 3.9 464 422 A 30 PRO HD3 A 30 PRO HGy 1.0 1.8 3.9 465 423 A 30 PRO HD2 A 30 PRO HGy 1.0 1.8 3.9 466 424 A 2 GLN HG3 A 2 GLN HB3 1.0 1.8 3.9 467 425 A 2 GLN HB3 A 2 GLN HB2 1.0 1.8 3.1 468 426 A 2 GLN HA A 2 GLN HB2 1.0 1.8 3.1 469 427 A 2 GLN HE22 A 2 GLN HG3 1.0 1.8 3.9 470 428 A 2 GLN HG3 A 2 GLN HE21 1.0 1.8 3.9 471 429 A 2 GLN HG3 A 2 GLN H 1.0 1.8 5.0 472 430 A 2 GLN HG2 A 2 GLN H 1.0 1.8 5.0 473 431 A 26 GLN HE21 A 26 GLN HG3 1.0 1.8 3.9 474 432 A 26 GLN HE22 A 26 GLN HG3 1.0 1.8 3.9 475 433 A 26 GLN H A 26 GLN HG3 1.0 1.8 3.9 476 434 A 26 GLN H A 26 GLN HG2 1.0 1.8 3.9 477 435 A 34 GLN H A 34 GLN HG2 1.0 1.8 3.9 478 436 A 7 GLN HG3 A 7 GLN HE22 1.0 1.8 3.9 479 437 A 7 GLN HA A 7 GLN HG2 1.0 1.8 3.9 480 438 A 17 THR H A 17 THR HB 1.0 1.8 3.9 481 439 A 18 VAL HGx% A 18 VAL HB 1.0 1.8 3.5 482 440 A 18 VAL HB A 18 VAL HGy% 1.0 1.8 3.5 483 441 A 27 VAL HGx% A 27 VAL HB 1.0 1.8 3.5 484 442 A 27 VAL HGy% A 27 VAL HB 1.0 1.8 3.5 485 443 A 13 TYR H A 13 TYR HDx 1.0 1.8 5.0 486 443 A 13 TYR H A 13 TYR HDy 1.0 1.8 5.0 487 444 A 31 TYR HDy A 31 TYR HEy 1.0 1.8 3.1 488 444 A 31 TYR HEx A 31 TYR HDy 1.0 1.8 3.1 489 444 A 31 TYR HDx A 31 TYR HEy 1.0 1.8 3.1 490 444 A 31 TYR HDx A 31 TYR HEx 1.0 1.8 3.1 491 445 A 31 TYR HA A 31 TYR HEx 1.0 1.8 5.0 492 445 A 31 TYR HA A 31 TYR HEy 1.0 1.8 5.0 493 446 A 32 TYR H A 32 TYR HDx 1.0 1.8 5.0 494 446 A 32 TYR H A 32 TYR HDy 1.0 1.8 5.0 495 447 A 5 TYR H A 5 TYR HB3 1.0 1.8 3.9 496 448 A 19 CYS HA A 19 CYS HB2 1.0 1.8 3.5 497 449 A 8 CYS H A 8 CYS HB3 1.0 1.8 3.9 498 450 A 8 CYS H A 8 CYS HB2 1.0 1.8 3.9 499 451 A 12 GLY HA3 A 12 GLY HA2 1.0 1.8 2.5 500 452 A 11 ILE HA A 11 ILE HD1% 1.0 1.8 3.9 501 453 A 11 ILE HA A 11 ILE HG12 1.0 1.8 3.5 502 454 A 11 ILE HA A 11 ILE H 1.0 1.8 3.5 503 455 A 28 LEU HA A 28 LEU HDx% 1.0 1.8 3.9 504 456 A 28 LEU HDy% A 28 LEU HA 1.0 1.8 3.9 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 11 ILE C A 12 GLY CA A 12 GLY N A 12 GLY C 1.0 100.0 140.0 . 2 2 A 21 SER C A 22 GLY CA A 22 GLY N A 22 GLY C 1.0 80.0 160.0 . 3 3 A 9 GLY C A 10 GLY CA A 10 GLY N A 10 GLY C 1.0 80.0 160.0 . 4 4 A 23 THR C A 24 THR CA A 24 THR N A 24 THR C 1.0 100.0 140.0 . 5 5 A 1 THR C A 2 GLN CA A 2 GLN N A 2 GLN C 1.0 100.0 140.0 . 6 6 A 35 CYS C A 36 LEU CA A 36 LEU N A 36 LEU C 1.0 100.0 140.0 . 7 7 A 25 CYS C A 26 GLN CA A 26 GLN N A 26 GLN C 1.0 100.0 140.0 . 8 8 A 24 THR C A 25 CYS CA A 25 CYS N A 25 CYS C 1.0 80.0 160.0 . 9 9 A 18 VAL C A 19 CYS CA A 19 CYS N A 19 CYS C 1.0 80.0 160.0 . 10 10 A 30 PRO C A 31 TYR CA A 31 TYR N A 31 TYR C 1.0 100.0 140.0 . 11 11 A 6 GLY C A 7 GLN CA A 7 GLN N A 7 GLN C 1.0 100.0 140.0 . 12 12 A 27 VAL C A 28 LEU CA A 28 LEU N A 28 LEU C 1.0 100.0 140.0 . 13 13 A 13 TYR C A 14 SER CA A 14 SER N A 14 SER C 1.0 100.0 140.0 . 14 14 A 16 PRO C A 17 THR CA A 17 THR N A 17 THR C 1.0 100.0 140.0 . 15 15 A 22 GLY C A 23 THR CA A 23 THR N A 23 THR C 1.0 100.0 140.0 . 16 16 A 7 GLN C A 8 CYS CA A 8 CYS N A 8 CYS C 1.0 100.0 140.0 . 17 17 A 32 TYR C A 33 SER CA A 33 SER N A 33 SER C 1.0 100.0 140.0 . 18 18 A 17 THR C A 18 VAL CA A 18 VAL N A 18 VAL C 1.0 100.0 140.0 . 19 19 A 12 GLY C A 13 TYR CA A 13 TYR N A 13 TYR C 1.0 80.0 160.0 . 20 20 A 31 TYR C A 32 TYR CA A 32 TYR N A 32 TYR C 1.0 80.0 160.0 . 21 21 A 5 TYR C A 6 GLY CA A 6 GLY N A 6 GLY C 1.0 80.0 160.0 . 22 22 A 2 GLN C A 3 SER CA A 3 SER N A 3 SER C 1.0 80.0 160.0 . stop_ save_