data_nef_c18684_2lxo 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 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 11 CYS SG 1 40 CYS SG 1 18 CYS SG 1 33 CYS SG 1 23 CYS SG 1 41 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 GLY start . false 2 A 2 ILE middle . . 3 A 3 ILE middle . . 4 A 4 ASN middle . . 5 A 5 THR middle . . 6 A 6 LEU middle . . 7 A 7 GLN middle . . 8 A 8 LYS middle . . 9 A 9 TYR middle . . 10 A 10 TYR middle . . 11 A 11 CYS middle -HG . 12 A 12 ARG middle . . 13 A 13 VAL middle . . 14 A 14 ARG middle . . 15 A 15 GLY middle . false 16 A 16 ALA middle . . 17 A 17 ILE middle . . 18 A 18 CYS middle -HG . 19 A 19 HIS middle . . 20 A 20 PRO middle . false 21 A 21 VAL middle . . 22 A 22 PHE middle . . 23 A 23 CYS middle -HG . 24 A 24 PRO middle . false 25 A 25 ARG middle . . 26 A 26 ARG middle . . 27 A 27 TYR middle . . 28 A 28 LYS middle . . 29 A 29 GLN middle . . 30 A 30 ILE middle . . 31 A 31 GLY middle . false 32 A 32 THR middle . . 33 A 33 CYS middle -HG . 34 A 34 GLY middle . false 35 A 35 LEU middle . . 36 A 36 PRO middle . false 37 A 37 GLY middle . false 38 A 38 THR middle . . 39 A 39 LYS middle . . 40 A 40 CYS middle -HG . 41 A 41 CYS middle -HG . 42 A 42 LYS middle . . 43 A 43 LYS middle . . 44 A 44 PRO end . false 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 6 LEU H H 1 8.3230 . A 6 LEU HA H 1 4.1740 . A 6 LEU HBy H 1 1.8420 . A 6 LEU HBx H 1 1.4770 . A 6 LEU HDx% H 1 0.8790 . A 6 LEU HG H 1 1.1880 . A 7 GLN H H 1 8.5550 . A 7 GLN HBx H 1 2.8390 . A 7 GLN HGy H 1 3.2540 . A 7 GLN HGx H 1 2.9480 . A 8 LYS H H 1 8.1300 . A 8 LYS HA H 1 4.1800 . A 8 LYS HBx H 1 2.3550 . A 8 LYS HDx H 1 2.0300 . A 8 LYS HEx H 1 3.1340 . A 8 LYS HGy H 1 1.8960 . A 8 LYS HGx H 1 1.2110 . A 9 TYR H H 1 8.0040 . A 9 TYR HA H 1 4.0710 . A 9 TYR HBx H 1 1.6440 . A 9 TYR HDx H 1 7.1040 . A 9 TYR HEx H 1 6.8170 . A 10 TYR H H 1 7.8620 . A 10 TYR HA H 1 4.4010 . A 10 TYR HBy H 1 2.9640 . A 10 TYR HBx H 1 2.8720 . A 10 TYR HDx H 1 6.9290 . A 10 TYR HEx H 1 6.7490 . A 11 CYS H H 1 8.2170 . A 11 CYS HA H 1 4.3120 . A 11 CYS HBy H 1 1.7030 . A 11 CYS HBx H 1 1.6260 . A 18 CYS H H 1 8.7040 . A 18 CYS HA H 1 5.7040 . A 18 CYS HBy H 1 2.9250 . A 18 CYS HBx H 1 2.7780 . A 19 HIS H H 1 9.7280 . A 19 HIS HA H 1 4.9280 . A 19 HIS HBy H 1 3.1960 . A 19 HIS HBx H 1 2.5910 . A 19 HIS HD2 H 1 7.2420 . A 19 HIS HE2 H 1 7.8780 . A 20 PRO HA H 1 4.4420 . A 20 PRO HBy H 1 2.2710 . A 20 PRO HGx H 1 1.8800 . A 21 VAL H H 1 8.7530 . A 21 VAL HA H 1 3.3190 . A 21 VAL HB H 1 2.5430 . A 21 VAL HGx% H 1 0.9230 . A 21 VAL HGy% H 1 0.9790 . A 22 PHE H H 1 9.3530 . A 22 PHE HA H 1 4.9150 . A 22 PHE HBy H 1 3.0920 . A 22 PHE HBx H 1 3.0520 . A 22 PHE HDx H 1 7.0800 . A 22 PHE HEx H 1 7.2970 . A 22 PHE HZ H 1 7.3710 . A 23 CYS H H 1 8.9970 . A 23 CYS HA H 1 5.0250 . A 23 CYS HBy H 1 2.8020 . A 23 CYS HBx H 1 2.7390 . A 24 PRO HA H 1 4.3240 . A 24 PRO HBy H 1 2.0950 . A 24 PRO HGx H 1 1.4340 . A 25 ARG H H 1 8.4140 . A 25 ARG HA H 1 4.0430 . A 25 ARG HBx H 1 1.8120 . A 26 ARG H H 1 8.6330 . A 26 ARG HA H 1 3.8700 . A 26 ARG HBy H 1 2.3460 . A 26 ARG HBx H 1 1.9440 . A 26 ARG HGx H 1 1.6010 . A 27 TYR H H 1 8.4020 . A 27 TYR HA H 1 4.6190 . A 27 TYR HBy H 1 3.3220 . A 27 TYR HBx H 1 2.4130 . A 27 TYR HDy H 1 6.8610 . A 27 TYR HEy H 1 6.7590 . A 28 LYS H H 1 8.6880 . A 28 LYS HA H 1 4.6120 . A 28 LYS HBx H 1 1.7720 . A 28 LYS HDx H 1 1.6460 . A 28 LYS HEx H 1 2.9350 . A 28 LYS HGy H 1 1.4340 . A 28 LYS HGx H 1 1.3450 . A 29 GLN H H 1 9.0940 . A 29 GLN HA H 1 4.8680 . A 29 GLN HBx H 1 2.1200 . A 29 GLN HE2x H 1 7.1740 . A 29 GLN HE2y H 1 7.2700 . A 29 GLN HGx H 1 2.4720 . A 30 ILE H H 1 8.8990 . A 30 ILE HA H 1 4.7460 . A 30 ILE HB H 1 2.1390 . A 30 ILE HD1% H 1 0.7950 . A 30 ILE HG1x H 1 0.8810 . A 31 GLY H H 1 7.6600 . A 31 GLY HAy H 1 4.4760 . A 31 GLY HAx H 1 4.1750 . A 32 THR H H 1 8.8460 . A 32 THR HA H 1 4.9850 . A 33 CYS H H 1 7.6340 . A 33 CYS HA H 1 4.8920 . A 33 CYS HBy H 1 3.3220 . A 33 CYS HBx H 1 3.1700 . A 36 PRO HA H 1 4.2730 . A 36 PRO HBx H 1 1.8980 . A 36 PRO HBy H 1 2.3250 . A 36 PRO HDx H 1 4.1970 . A 36 PRO HGx H 1 1.6110 . A 37 GLY H H 1 8.4750 . A 37 GLY HAy H 1 3.9940 . A 37 GLY HAx H 1 3.9160 . A 38 THR H H 1 7.7040 . A 38 THR HA H 1 4.4250 . A 38 THR HB H 1 3.8780 . A 38 THR HG2% H 1 1.0560 . A 39 LYS H H 1 8.6470 . A 39 LYS HA H 1 4.5600 . A 39 LYS HBx H 1 1.7160 . A 39 LYS HDx H 1 1.5360 . A 39 LYS HGy H 1 1.1960 . A 40 CYS H H 1 8.2330 . A 40 CYS HA H 1 5.1220 . A 40 CYS HBy H 1 2.6420 . A 40 CYS HBx H 1 2.2870 . A 41 CYS H H 1 9.6260 . A 41 CYS HA H 1 5.5490 . A 41 CYS HBx H 1 2.8080 . A 42 LYS H H 1 9.8520 . A 42 LYS HA H 1 4.7040 . A 42 LYS HBx H 1 1.8410 . A 42 LYS HDx H 1 1.5600 . A 42 LYS HGx H 1 1.3160 . stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 6 LEU H A 6 LEU HA 1.0 . 2.61 2 2 A 6 LEU H A 6 LEU HG 1.0 . 4.41 3 3 A 6 LEU HG A 7 GLN H 1.0 . 6.00 4 4 A 6 LEU H A 7 GLN H 1.0 . 4.52 5 5 A 7 GLN H A 8 LYS H 1.0 . 4.43 6 6 A 8 LYS H A 8 LYS HGx 1.0 . 3.84 7 7 A 8 LYS H A 8 LYS HGy 1.0 . 3.84 8 8 A 8 LYS HA A 9 TYR HDx 1.0 . 4.88 9 9 A 8 LYS H A 9 TYR HDx 1.0 . 4.05 10 10 A 8 LYS HA A 9 TYR HEx 1.0 . 5.88 11 11 A 8 LYS H A 9 TYR H 1.0 . 3.53 12 12 A 8 LYS H A 10 TYR HDx 1.0 . 4.55 13 13 A 8 LYS HA A 10 TYR H 1.0 . 4.97 14 14 A 8 LYS H A 10 TYR H 1.0 . 4.25 15 15 A 10 TYR H A 9 TYR HA 1.0 . 3.16 16 16 A 9 TYR H A 10 TYR H 1.0 . 3.95 17 17 A 10 TYR HDx A 10 TYR HA 1.0 . 3.59 18 18 A 10 TYR H A 10 TYR HBx 1.0 . 3.76 19 19 A 10 TYR H A 10 TYR HBy 1.0 . 3.76 20 20 A 10 TYR HDx A 10 TYR H 1.0 . 4.09 21 21 A 6 LEU HA A 11 CYS H 1.0 . 5.00 22 22 A 8 LYS H A 11 CYS HA 1.0 . 2.99 23 23 A 8 LYS H A 11 CYS HBx 1.0 . 4.12 24 24 A 8 LYS H A 11 CYS HBy 1.0 . 4.12 25 25 A 8 LYS H A 11 CYS H 1.0 . 3.21 26 26 A 10 TYR HDx A 11 CYS HA 1.0 . 5.42 27 27 A 11 CYS HA A 10 TYR HEx 1.0 . 5.10 28 28 A 10 TYR HDx A 11 CYS HBx 1.0 . 5.20 29 29 A 10 TYR HDx A 11 CYS HBy 1.0 . 5.20 30 30 A 11 CYS H A 11 CYS HBx 1.0 . 3.19 31 31 A 11 CYS H A 11 CYS HBy 1.0 . 3.19 32 32 A 17 ILE H A 17 ILE HB 1.0 . 3.39 33 33 A 17 ILE H A 17 ILE HD11 1.0 . 4.39 34 34 A 18 CYS H A 18 CYS HBx 1.0 . 3.78 35 35 A 18 CYS H A 18 CYS HBy 1.0 . 3.78 36 36 A 18 CYS HA A 19 HIS H 1.0 . 2.79 37 37 A 19 HIS HA A 19 HIS HD1 1.0 . 4.03 38 38 A 19 HIS HD1 A 19 HIS HBx 1.0 . 3.79 39 39 A 19 HIS HD1 A 19 HIS HBy 1.0 . 3.79 40 40 A 19 HIS HA A 19 HIS HE2 1.0 . 5.14 41 41 A 19 HIS H A 19 HIS HBx 1.0 . 4.19 42 42 A 19 HIS H A 19 HIS HBy 1.0 . 4.19 43 43 A 20 PRO HA A 21 VAL H 1.0 . 2.67 44 44 A 21 VAL H A 21 VAL HA 1.0 . 2.72 45 45 A 21 VAL H A 21 VAL HGx% 1.0 . 4.94 46 46 A 21 VAL H A 21 VAL HGy% 1.0 . 4.94 47 47 A 19 HIS HE2 A 22 PHE HEx 1.0 . 3.91 48 48 A 19 HIS HD1 A 22 PHE H 1.0 . 5.69 49 49 A 19 HIS HE2 A 22 PHE HZ 1.0 . 4.07 50 50 A 20 PRO HA A 22 PHE H 1.0 . 5.66 51 51 A 21 VAL HA A 22 PHE HDx 1.0 . 5.07 52 52 A 22 PHE HDx A 21 VAL HB 1.0 . 4.00 53 53 A 22 PHE HEx A 21 VAL HB 1.0 . 4.51 54 54 A 22 PHE H A 21 VAL HB 1.0 . 3.27 55 55 A 22 PHE H A 21 VAL HGx% 1.0 . 5.54 56 56 A 22 PHE H A 21 VAL HGy% 1.0 . 5.54 57 57 A 21 VAL H A 22 PHE H 1.0 . 4.22 58 58 A 22 PHE HDx A 22 PHE HA 1.0 . 6.00 59 59 A 22 PHE HDx A 22 PHE HBx 1.0 . 3.23 60 60 A 22 PHE HDx A 22 PHE HBy 1.0 . 3.23 61 61 A 22 PHE H A 22 PHE HDx 1.0 . 3.90 62 62 A 22 PHE HA A 23 CYS H 1.0 . 2.76 63 63 A 23 CYS H A 22 PHE HBx 1.0 . 3.88 64 64 A 23 CYS H A 22 PHE HBy 1.0 . 3.88 65 65 A 22 PHE HDx A 23 CYS H 1.0 . 4.77 66 66 A 22 PHE H A 23 CYS H 1.0 . 4.67 67 67 A 23 CYS H A 23 CYS HBx 1.0 . 3.75 68 68 A 23 CYS H A 23 CYS HBy 1.0 . 3.75 69 69 A 22 PHE HEx A 24 PRO HA 1.0 . 4.56 70 70 A 22 PHE HZ A 24 PRO HA 1.0 . 5.00 71 71 A 25 ARG H A 25 ARG HA 1.0 . 2.83 72 72 A 25 ARG HA A 26 ARG H 1.0 . 2.56 73 73 A 26 ARG H A 26 ARG HA 1.0 . 2.78 74 74 A 26 ARG H A 26 ARG HE 1.0 . 5.46 75 75 A 27 TYR HA A 27 TYR HDx 1.0 . 4.28 76 76 A 27 TYR HDx A 27 TYR HBx 1.0 . 3.28 77 77 A 27 TYR HDx A 27 TYR HBy 1.0 . 3.28 78 78 A 27 TYR H A 27 TYR HBx 1.0 . 3.52 79 79 A 27 TYR H A 27 TYR HBy 1.0 . 3.52 80 80 A 27 TYR H A 27 TYR HEx 1.0 . 4.51 81 81 A 28 LYS H A 27 TYR HBx 1.0 . 4.11 82 82 A 28 LYS H A 27 TYR HBy 1.0 . 4.11 83 83 A 27 TYR HDx A 28 LYS H 1.0 . 4.32 84 84 A 27 TYR H A 28 LYS H 1.0 . 5.33 85 85 A 28 LYS H A 28 LYS HA 1.0 . 2.87 86 86 A 28 LYS H A 28 LYS HGx 1.0 . 5.65 87 87 A 28 LYS H A 28 LYS HGy 1.0 . 5.65 88 88 A 28 LYS HA A 29 GLN H 1.0 . 2.43 89 89 A 29 GLN H A 28 LYS HGx 1.0 . 5.15 90 90 A 29 GLN H A 28 LYS HGy 1.0 . 5.15 91 91 A 28 LYS H A 29 GLN H 1.0 . 5.76 92 92 A 29 GLN HA A 30 ILE H 1.0 . 2.90 93 93 A 29 GLN H A 30 ILE H 1.0 . 5.23 94 94 A 30 ILE H A 30 ILE HD1% 1.0 . 3.93 95 95 A 30 ILE HB A 31 GLY H 1.0 . 4.80 96 96 A 30 ILE HD1% A 31 GLY H 1.0 . 4.81 97 97 A 30 ILE H A 31 GLY H 1.0 . 3.25 98 98 A 29 GLN HE2x A 32 THR HG21 1.0 . 4.61 99 99 A 32 THR HG21 A 29 GLN HE2y 1.0 . 4.61 100 100 A 32 THR H A 31 GLY HAy 1.0 . 3.61 101 101 A 32 THR H A 31 GLY HAx 1.0 . 3.61 102 102 A 31 GLY H A 32 THR H 1.0 . 4.86 103 103 A 32 THR HG21 A 32 THR H 1.0 . 4.47 104 104 A 9 TYR HDx A 33 CYS HA 1.0 . 5.87 105 105 A 32 THR HA A 33 CYS H 1.0 . 3.27 106 106 A 32 THR HG21 A 33 CYS H 1.0 . 4.89 107 107 A 33 CYS H A 33 CYS HBx 1.0 . 4.04 108 108 A 33 CYS H A 33 CYS HBy 1.0 . 4.04 109 109 A 35 LEU H A 35 LEU HG 1.0 . 4.22 110 110 A 36 PRO HA A 37 GLY H 1.0 . 3.07 111 111 A 37 GLY H A 36 PRO HBy 1.0 . 4.43 112 112 A 37 GLY H A 36 PRO HBx 1.0 . 4.43 113 113 A 19 HIS H A 38 THR HA 1.0 . 5.82 114 114 A 19 HIS HD1 A 38 THR HG2% 1.0 . 4.99 115 115 A 19 HIS H A 38 THR HG2% 1.0 . 5.18 116 116 A 21 VAL H A 38 THR HG2% 1.0 . 5.94 117 117 A 32 THR HG21 A 38 THR H 1.0 . 5.23 118 118 A 33 CYS H A 38 THR HB 1.0 . 4.21 119 119 A 33 CYS H A 38 THR HG2% 1.0 . 5.92 120 120 A 36 PRO HA A 38 THR H 1.0 . 5.95 121 121 A 37 GLY H A 38 THR H 1.0 . 3.87 122 122 A 38 THR H A 38 THR HB 1.0 . 3.65 123 123 A 38 THR HG2% A 38 THR H 1.0 . 4.34 124 124 A 18 CYS HA A 39 LYS H 1.0 . 5.02 125 125 A 19 HIS H A 39 LYS H 1.0 . 3.83 126 126 A 27 TYR HEx A 39 LYS H 1.0 . 4.57 127 127 A 32 THR HA A 39 LYS H 1.0 . 5.87 128 128 A 33 CYS H A 39 LYS HA 1.0 . 4.38 129 129 A 38 THR HA A 39 LYS H 1.0 . 2.72 130 130 A 38 THR HG2% A 39 LYS H 1.0 . 4.37 131 131 A 38 THR H A 39 LYS H 1.0 . 4.94 132 132 A 39 LYS H A 39 LYS HGy 1.0 . 3.65 133 133 A 39 LYS H A 39 LYS HGx 1.0 . 3.65 134 134 A 18 CYS HA A 40 CYS HA 1.0 . 3.34 135 135 A 19 HIS H A 40 CYS HA 1.0 . 5.47 136 136 A 31 GLY H A 40 CYS HBx 1.0 . 4.16 137 137 A 31 GLY H A 40 CYS HBy 1.0 . 4.16 138 138 A 31 GLY H A 40 CYS H 1.0 . 4.34 139 139 A 32 THR HA A 40 CYS H 1.0 . 3.12 140 140 A 39 LYS HA A 40 CYS H 1.0 . 3.06 141 141 A 40 CYS H A 40 CYS HBx 1.0 . 3.72 142 142 A 40 CYS H A 40 CYS HBy 1.0 . 3.72 143 143 A 18 CYS HA A 41 CYS H 1.0 . 4.54 144 144 A 19 HIS H A 41 CYS H 1.0 . 5.12 145 145 A 27 TYR HDx A 41 CYS HA 1.0 . 5.97 146 146 A 28 LYS H A 41 CYS HA 1.0 . 4.59 147 147 A 29 GLN HA A 41 CYS HA 1.0 . 3.41 148 148 A 30 ILE HD1% A 41 CYS HA 1.0 . 5.79 149 149 A 30 ILE H A 41 CYS HA 1.0 . 4.04 150 150 A 40 CYS HA A 41 CYS H 1.0 . 3.02 151 151 A 27 TYR HA A 42 LYS H 1.0 . 5.22 152 152 A 27 TYR HDx A 42 LYS H 1.0 . 5.18 153 153 A 28 LYS H A 42 LYS H 1.0 . 3.67 154 154 A 29 GLN HA A 42 LYS H 1.0 . 6.00 155 155 A 30 ILE HD1% A 42 LYS H 1.0 . 5.01 156 156 A 41 CYS HA A 42 LYS H 1.0 . 2.86 157 157 A 23 CYS SG A 41 CYS SG 1.0 . 2.10 158 158 A 23 CYS SG A 41 CYS CB 1.0 . 3.10 159 159 A 41 CYS SG A 23 CYS CB 1.0 . 3.10 160 160 A 11 CYS SG A 40 CYS SG 1.0 . 2.10 161 161 A 11 CYS SG A 40 CYS CB 1.0 . 3.10 162 162 A 40 CYS SG A 11 CYS CB 1.0 . 3.10 163 163 A 18 CYS SG A 33 CYS SG 1.0 . 2.10 164 164 A 18 CYS SG A 33 CYS CB 1.0 . 3.10 165 165 A 33 CYS SG A 18 CYS CB 1.0 . 3.10 166 166 A 38 THR H A 35 LEU O 1.0 . 2.00 167 167 A 35 LEU O A 38 THR N 1.0 . 3.00 168 168 A 40 CYS H A 31 GLY O 1.0 . 2.00 169 169 A 31 GLY O A 40 CYS N 1.0 . 3.00 170 170 A 30 ILE H A 40 CYS O 1.0 . 2.00 171 171 A 40 CYS O A 30 ILE N 1.0 . 3.00 172 172 A 19 HIS H A 39 LYS O 1.0 . 2.00 173 173 A 39 LYS O A 19 HIS N 1.0 . 3.00 174 174 A 33 CYS H A 38 THR O 1.0 . 2.00 175 175 A 38 THR O A 33 CYS N 1.0 . 3.00 176 176 A 27 TYR H A 25 ARG O 1.0 . 2.00 177 177 A 25 ARG O A 27 TYR N 1.0 . 3.00 178 178 A 6 LEU H A 6 LEU HBy 1.0 . 3.16 179 178 A 6 LEU H A 6 LEU HBx 1.0 . 3.16 180 179 A 6 LEU H A 6 LEU HDx% 1.0 . 4.22 181 179 A 6 LEU H A 6 LEU HD21 1.0 . 4.22 182 180 A 7 GLN H A 6 LEU HBy 1.0 . 3.77 183 180 A 7 GLN H A 6 LEU HBx 1.0 . 3.77 184 181 A 7 GLN H A 6 LEU HDx% 1.0 . 4.36 185 181 A 7 GLN H A 6 LEU HD21 1.0 . 4.36 186 182 A 11 CYS H A 6 LEU HDx% 1.0 . 4.45 187 182 A 11 CYS H A 6 LEU HD21 1.0 . 4.45 188 183 A 7 GLN H A 7 GLN HBy 1.0 . 3.49 189 183 A 7 GLN H A 7 GLN HBx 1.0 . 3.49 190 184 A 7 GLN H A 7 GLN HGx 1.0 . 4.78 191 184 A 7 GLN H A 7 GLN HGy 1.0 . 4.78 192 185 A 8 LYS H A 7 GLN HBy 1.0 . 3.73 193 185 A 8 LYS H A 7 GLN HBx 1.0 . 3.73 194 186 A 9 TYR HDx A 7 GLN HBy 1.0 . 4.00 195 186 A 9 TYR HDx A 7 GLN HBx 1.0 . 4.00 196 187 A 9 TYR HEx A 7 GLN HBy 1.0 . 5.19 197 187 A 9 TYR HEx A 7 GLN HBx 1.0 . 5.19 198 188 A 8 LYS H A 7 GLN HGx 1.0 . 3.95 199 188 A 8 LYS H A 7 GLN HGy 1.0 . 3.95 200 189 A 8 LYS H A 8 LYS HBx 1.0 . 3.28 201 189 A 8 LYS H A 8 LYS HBy 1.0 . 3.28 202 190 A 8 LYS H A 8 LYS HGy 1.0 . 3.06 203 190 A 8 LYS H A 8 LYS HGx 1.0 . 3.06 204 191 A 8 LYS H A 8 LYS HEy 1.0 . 3.85 205 191 A 8 LYS H A 8 LYS HEx 1.0 . 3.85 206 192 A 8 LYS H A 11 CYS HBx 1.0 . 3.33 207 192 A 8 LYS H A 11 CYS HBy 1.0 . 3.33 208 193 A 9 TYR H A 8 LYS HBx 1.0 . 4.71 209 193 A 9 TYR H A 8 LYS HBy 1.0 . 4.71 210 194 A 9 TYR H A 8 LYS HGy 1.0 . 4.23 211 194 A 9 TYR H A 8 LYS HGx 1.0 . 4.23 212 195 A 10 TYR HDx A 8 LYS HGy 1.0 . 4.55 213 195 A 10 TYR HDx A 8 LYS HGx 1.0 . 4.55 214 196 A 11 CYS H A 8 LYS HGy 1.0 . 4.24 215 196 A 11 CYS H A 8 LYS HGx 1.0 . 4.24 216 197 A 9 TYR H A 8 LYS HDy 1.0 . 4.06 217 197 A 9 TYR H A 8 LYS HDx 1.0 . 4.06 218 198 A 9 TYR HDx A 8 LYS HEy 1.0 . 3.44 219 198 A 9 TYR HDx A 8 LYS HEx 1.0 . 3.44 220 199 A 9 TYR HEx A 8 LYS HEy 1.0 . 4.31 221 199 A 9 TYR HEx A 8 LYS HEx 1.0 . 4.31 222 200 A 10 TYR HDx A 8 LYS HEy 1.0 . 5.70 223 200 A 10 TYR HDx A 8 LYS HEx 1.0 . 5.70 224 201 A 10 TYR HEx A 8 LYS HEy 1.0 . 5.32 225 201 A 10 TYR HEx A 8 LYS HEx 1.0 . 5.32 226 202 A 9 TYR H A 9 TYR HBx 1.0 . 3.27 227 202 A 9 TYR H A 9 TYR HBy 1.0 . 3.27 228 203 A 10 TYR H A 9 TYR HBx 1.0 . 3.91 229 203 A 10 TYR H A 9 TYR HBy 1.0 . 3.91 230 204 A 9 TYR HDx A 11 CYS HBx 1.0 . 4.40 231 204 A 9 TYR HDx A 11 CYS HBy 1.0 . 4.40 232 205 A 10 TYR H A 10 TYR HBx 1.0 . 3.19 233 205 A 10 TYR H A 10 TYR HBy 1.0 . 3.19 234 206 A 10 TYR H A 31 GLY HAy 1.0 . 5.16 235 206 A 10 TYR H A 31 GLY HAx 1.0 . 5.16 236 207 A 10 TYR H A 33 CYS HBx 1.0 . 4.52 237 207 A 10 TYR H A 33 CYS HBy 1.0 . 4.52 238 208 A 10 TYR HDx A 10 TYR HBx 1.0 . 3.29 239 208 A 10 TYR HDx A 10 TYR HBy 1.0 . 3.29 240 209 A 11 CYS H A 10 TYR HBx 1.0 . 4.39 241 209 A 11 CYS H A 10 TYR HBy 1.0 . 4.39 242 210 A 10 TYR HDx A 11 CYS HBx 1.0 . 4.43 243 210 A 10 TYR HDx A 11 CYS HBy 1.0 . 4.43 244 211 A 10 TYR HEx A 11 CYS HBx 1.0 . 4.34 245 211 A 10 TYR HEx A 11 CYS HBy 1.0 . 4.34 246 212 A 17 ILE H A 17 ILE HG1y 1.0 . 3.45 247 212 A 17 ILE H A 17 ILE HG1x 1.0 . 3.45 248 213 A 33 CYS H A 17 ILE HG1y 1.0 . 4.43 249 213 A 33 CYS H A 17 ILE HG1x 1.0 . 4.43 250 214 A 18 CYS H A 18 CYS HBx 1.0 . 3.27 251 214 A 18 CYS H A 18 CYS HBy 1.0 . 3.27 252 215 A 19 HIS H A 18 CYS HBx 1.0 . 3.91 253 215 A 19 HIS H A 18 CYS HBy 1.0 . 3.91 254 216 A 19 HIS H A 19 HIS HBy 1.0 . 3.64 255 216 A 19 HIS H A 19 HIS HBx 1.0 . 3.64 256 217 A 19 HIS HD1 A 19 HIS HBy 1.0 . 3.29 257 217 A 19 HIS HD1 A 19 HIS HBx 1.0 . 3.29 258 218 A 19 HIS HE2 A 20 PRO HGx 1.0 . 4.77 259 218 A 19 HIS HE2 A 20 PRO HGy 1.0 . 4.77 260 219 A 21 VAL H A 21 VAL HGy% 1.0 . 3.85 261 219 A 21 VAL H A 21 VAL HGx% 1.0 . 3.85 262 220 A 22 PHE H A 21 VAL HGy% 1.0 . 4.59 263 220 A 22 PHE H A 21 VAL HGx% 1.0 . 4.59 264 221 A 22 PHE HDx A 21 VAL HGy% 1.0 . 3.82 265 221 A 22 PHE HDx A 21 VAL HGx% 1.0 . 3.82 266 222 A 22 PHE HEx A 21 VAL HGy% 1.0 . 5.92 267 222 A 22 PHE HEx A 21 VAL HGx% 1.0 . 5.92 268 223 A 22 PHE HEx A 22 PHE HBx 1.0 . 4.33 269 223 A 22 PHE HEx A 22 PHE HBy 1.0 . 4.33 270 224 A 23 CYS H A 22 PHE HBx 1.0 . 3.10 271 224 A 23 CYS H A 22 PHE HBy 1.0 . 3.10 272 225 A 22 PHE HDx A 24 PRO HBy 1.0 . 5.39 273 225 A 22 PHE HDx A 24 PRO HBx 1.0 . 5.39 274 226 A 22 PHE HEx A 24 PRO HBy 1.0 . 5.81 275 226 A 22 PHE HEx A 24 PRO HBx 1.0 . 5.81 276 227 A 23 CYS H A 23 CYS HBx 1.0 . 3.11 277 227 A 23 CYS H A 23 CYS HBy 1.0 . 3.11 278 228 A 23 CYS H A 39 LYS HGx 1.0 . 4.78 279 228 A 23 CYS H A 39 LYS HGy 1.0 . 4.78 280 229 A 25 ARG H A 24 PRO HBy 1.0 . 3.24 281 229 A 25 ARG H A 24 PRO HBx 1.0 . 3.24 282 230 A 27 TYR HDx A 24 PRO HBy 1.0 . 4.63 283 230 A 27 TYR HDx A 24 PRO HBx 1.0 . 4.63 284 231 A 27 TYR HEx A 24 PRO HBy 1.0 . 4.72 285 231 A 27 TYR HEx A 24 PRO HBx 1.0 . 4.72 286 232 A 25 ARG H A 24 PRO HGx 1.0 . 3.47 287 232 A 25 ARG H A 24 PRO HGy 1.0 . 3.47 288 233 A 27 TYR HDx A 24 PRO HGx 1.0 . 3.49 289 233 A 27 TYR HDx A 24 PRO HGy 1.0 . 3.49 290 234 A 25 ARG H A 25 ARG HBx 1.0 . 2.50 291 234 A 25 ARG H A 25 ARG HBy 1.0 . 2.50 292 235 A 26 ARG H A 25 ARG HBx 1.0 . 3.72 293 235 A 26 ARG H A 25 ARG HBy 1.0 . 3.72 294 236 A 26 ARG H A 27 TYR HBx 1.0 . 4.98 295 236 A 26 ARG H A 27 TYR HBy 1.0 . 4.98 296 237 A 27 TYR H A 27 TYR HBx 1.0 . 2.95 297 237 A 27 TYR H A 27 TYR HBy 1.0 . 2.95 298 238 A 27 TYR H A 41 CYS HBy 1.0 . 4.65 299 238 A 27 TYR H A 41 CYS HBx 1.0 . 4.65 300 239 A 28 LYS H A 27 TYR HBx 1.0 . 3.44 301 239 A 28 LYS H A 27 TYR HBy 1.0 . 3.44 302 240 A 42 LYS H A 27 TYR HBx 1.0 . 4.33 303 240 A 42 LYS H A 27 TYR HBy 1.0 . 4.33 304 241 A 27 TYR HDx A 39 LYS HGx 1.0 . 4.21 305 241 A 27 TYR HDx A 39 LYS HGy 1.0 . 4.21 306 242 A 27 TYR HDx A 39 LYS HEy 1.0 . 4.32 307 242 A 27 TYR HDx A 39 LYS HEx 1.0 . 4.32 308 243 A 27 TYR HDx A 41 CYS HBy 1.0 . 3.24 309 243 A 27 TYR HDx A 41 CYS HBx 1.0 . 3.24 310 244 A 27 TYR HEx A 39 LYS HEy 1.0 . 4.19 311 244 A 27 TYR HEx A 39 LYS HEx 1.0 . 4.19 312 245 A 27 TYR HEx A 41 CYS HBy 1.0 . 3.32 313 245 A 27 TYR HEx A 41 CYS HBx 1.0 . 3.32 314 246 A 28 LYS H A 28 LYS HBx 1.0 . 3.25 315 246 A 28 LYS H A 28 LYS HBy 1.0 . 3.25 316 247 A 28 LYS H A 28 LYS HGy 1.0 . 4.94 317 247 A 28 LYS H A 28 LYS HGx 1.0 . 4.94 318 248 A 28 LYS H A 28 LYS HDy 1.0 . 5.68 319 248 A 28 LYS H A 28 LYS HDx 1.0 . 5.68 320 249 A 28 LYS H A 39 LYS HEy 1.0 . 4.80 321 249 A 28 LYS H A 39 LYS HEx 1.0 . 4.80 322 250 A 29 GLN H A 28 LYS HBx 1.0 . 3.87 323 250 A 29 GLN H A 28 LYS HBy 1.0 . 3.87 324 251 A 29 GLN H A 29 GLN HBx 1.0 . 2.88 325 251 A 29 GLN H A 29 GLN HBy 1.0 . 2.88 326 252 A 29 GLN H A 29 GLN HGy 1.0 . 4.33 327 252 A 29 GLN H A 29 GLN HGx 1.0 . 4.33 328 253 A 29 GLN HE2x A 29 GLN HBx 1.0 . 4.16 329 253 A 29 GLN HE2y A 29 GLN HBy 1.0 . 4.16 330 253 A 29 GLN HE2x A 29 GLN HBy 1.0 . 4.16 331 253 A 29 GLN HE2y A 29 GLN HBx 1.0 . 4.16 332 254 A 29 GLN HE2x A 29 GLN HGx 1.0 . 2.87 333 254 A 29 GLN HE2y A 29 GLN HGy 1.0 . 2.87 334 254 A 29 GLN HE2y A 29 GLN HGx 1.0 . 2.87 335 254 A 29 GLN HE2x A 29 GLN HGy 1.0 . 2.87 336 255 A 30 ILE H A 29 GLN HGy 1.0 . 4.59 337 255 A 30 ILE H A 29 GLN HGx 1.0 . 4.59 338 256 A 40 CYS H A 29 GLN HGy 1.0 . 4.34 339 256 A 40 CYS H A 29 GLN HGx 1.0 . 4.34 340 257 A 29 GLN HE2x A 31 GLY HAy 1.0 . 4.98 341 257 A 29 GLN HE2x A 31 GLY HAx 1.0 . 4.98 342 257 A 29 GLN HE2y A 31 GLY HAx 1.0 . 4.98 343 257 A 29 GLN HE2y A 31 GLY HAy 1.0 . 4.98 344 258 A 29 GLN HE2x A 32 THR HG21 1.0 . 4.03 345 258 A 32 THR HG21 A 29 GLN HE2y 1.0 . 4.03 346 259 A 30 ILE H A 30 ILE HG1y 1.0 . 3.96 347 259 A 30 ILE H A 30 ILE HG1x 1.0 . 3.96 348 260 A 30 ILE H A 40 CYS HBx 1.0 . 4.63 349 260 A 30 ILE H A 40 CYS HBy 1.0 . 4.63 350 261 A 31 GLY H A 39 LYS HDy 1.0 . 4.68 351 261 A 31 GLY H A 39 LYS HDx 1.0 . 4.68 352 262 A 31 GLY H A 40 CYS HBx 1.0 . 3.43 353 262 A 31 GLY H A 40 CYS HBy 1.0 . 3.43 354 263 A 32 THR H A 31 GLY HAy 1.0 . 3.04 355 263 A 32 THR H A 31 GLY HAx 1.0 . 3.04 356 264 A 32 THR HG21 A 31 GLY HAy 1.0 . 3.74 357 264 A 32 THR HG21 A 31 GLY HAx 1.0 . 3.74 358 265 A 33 CYS H A 33 CYS HBx 1.0 . 3.50 359 265 A 33 CYS H A 33 CYS HBy 1.0 . 3.50 360 266 A 35 LEU H A 35 LEU HD11 1.0 . 4.92 361 266 A 35 LEU H A 35 LEU HD21 1.0 . 4.92 362 267 A 38 THR H A 35 LEU HBy 1.0 . 4.17 363 267 A 38 THR H A 35 LEU HBx 1.0 . 4.17 364 268 A 37 GLY H A 36 PRO HBy 1.0 . 3.80 365 268 A 37 GLY H A 36 PRO HBx 1.0 . 3.80 366 269 A 39 LYS H A 39 LYS HBx 1.0 . 3.34 367 269 A 39 LYS H A 39 LYS HBy 1.0 . 3.34 368 270 A 39 LYS H A 39 LYS HGx 1.0 . 2.97 369 270 A 39 LYS H A 39 LYS HGy 1.0 . 2.97 370 271 A 39 LYS H A 39 LYS HDy 1.0 . 3.26 371 271 A 39 LYS H A 39 LYS HDx 1.0 . 3.26 372 272 A 39 LYS H A 39 LYS HEy 1.0 . 4.87 373 272 A 39 LYS H A 39 LYS HEx 1.0 . 4.87 374 273 A 41 CYS H A 39 LYS HGx 1.0 . 5.31 375 273 A 41 CYS H A 39 LYS HGy 1.0 . 5.31 376 274 A 40 CYS H A 39 LYS HDy 1.0 . 3.79 377 274 A 40 CYS H A 39 LYS HDx 1.0 . 3.79 378 275 A 41 CYS H A 40 CYS HBx 1.0 . 4.60 379 275 A 41 CYS H A 40 CYS HBy 1.0 . 4.60 380 276 A 41 CYS H A 41 CYS HBy 1.0 . 3.43 381 276 A 41 CYS H A 41 CYS HBx 1.0 . 3.43 382 277 A 42 LYS H A 41 CYS HBy 1.0 . 4.58 383 277 A 42 LYS H A 41 CYS HBx 1.0 . 4.58 384 278 A 42 LYS H A 42 LYS HDy 1.0 . 4.17 385 278 A 42 LYS H A 42 LYS HDx 1.0 . 4.17 386 279 A 6 LEU H A 6 LEU HG 1.0 . 1.80 387 280 A 6 LEU HG A 7 GLN H 1.0 . 1.80 388 281 A 6 LEU H A 7 GLN H 1.0 . 1.80 389 282 A 7 GLN H A 7 GLN HGx 1.0 . 0.05 390 283 A 8 LYS H A 7 GLN HGx 1.0 . 0.05 391 284 A 7 GLN H A 8 LYS H 1.0 . 1.80 392 285 A 8 LYS H A 8 LYS HEx 1.0 . 0.05 393 286 A 8 LYS H A 8 LYS HGx 1.0 . 1.80 394 287 A 8 LYS H A 8 LYS HGy 1.0 . 1.80 395 288 A 9 TYR HDx A 7 GLN HBx 1.0 . 0.05 396 289 A 9 TYR HEx A 7 GLN HBx 1.0 . 0.05 397 290 A 8 LYS HA A 9 TYR HDx 1.0 . 1.80 398 291 A 9 TYR HDx A 8 LYS HEx 1.0 . 0.05 399 292 A 8 LYS H A 9 TYR HDx 1.0 . 1.80 400 293 A 8 LYS HA A 9 TYR HEx 1.0 . 1.80 401 294 A 9 TYR HEx A 8 LYS HEx 1.0 . 0.05 402 295 A 9 TYR H A 8 LYS HDx 1.0 . 0.05 403 296 A 9 TYR H A 8 LYS HGx 1.0 . 0.05 404 297 A 8 LYS H A 9 TYR H 1.0 . 1.80 405 298 A 10 TYR HDx A 8 LYS HEx 1.0 . 0.05 406 299 A 10 TYR HDx A 8 LYS HGy 1.0 . 0.05 407 300 A 8 LYS H A 10 TYR HDx 1.0 . 1.80 408 301 A 10 TYR HEx A 8 LYS HEx 1.0 . 0.05 409 302 A 8 LYS HA A 10 TYR H 1.0 . 1.80 410 303 A 8 LYS H A 10 TYR H 1.0 . 1.80 411 304 A 9 TYR H A 10 TYR H 1.0 . 1.80 412 305 A 10 TYR HDx A 10 TYR HA 1.0 . 1.80 413 306 A 10 TYR HDx A 10 TYR H 1.0 . 1.80 414 307 A 6 LEU HA A 11 CYS H 1.0 . 1.80 415 308 A 8 LYS H A 11 CYS HA 1.0 . 1.80 416 309 A 8 LYS H A 11 CYS HBx 1.0 . 1.80 417 310 A 8 LYS H A 11 CYS HBy 1.0 . 1.80 418 311 A 11 CYS H A 8 LYS HGy 1.0 . 0.05 419 312 A 8 LYS H A 11 CYS H 1.0 . 1.80 420 313 A 9 TYR HDx A 11 CYS HBy 1.0 . 0.05 421 314 A 10 TYR HDx A 11 CYS HA 1.0 . 1.80 422 315 A 11 CYS HA A 10 TYR HEx 1.0 . 1.80 423 316 A 10 TYR HDx A 11 CYS HBx 1.0 . 1.80 424 317 A 10 TYR HDx A 11 CYS HBy 1.0 . 1.80 425 318 A 10 TYR HEx A 11 CYS HBy 1.0 . 0.05 426 319 A 17 ILE H A 17 ILE HD11 1.0 . 1.80 427 320 A 17 ILE H A 17 ILE HG1x 1.0 . 0.05 428 321 A 19 HIS H A 18 CYS HBx 1.0 . 1.80 429 322 A 19 HIS H A 18 CYS HBy 1.0 . 1.80 430 323 A 19 HIS HA A 19 HIS HD1 1.0 . 1.80 431 324 A 19 HIS HE2 A 20 PRO HGy 1.0 . 0.05 432 325 A 21 VAL H A 21 VAL HGx% 1.0 . 1.80 433 326 A 21 VAL H A 21 VAL HGy% 1.0 . 1.80 434 327 A 19 HIS HE2 A 22 PHE HEx 1.0 . 1.80 435 328 A 19 HIS HD1 A 22 PHE H 1.0 . 1.80 436 329 A 19 HIS HE2 A 22 PHE HZ 1.0 . 1.80 437 330 A 20 PRO HA A 22 PHE H 1.0 . 1.80 438 331 A 21 VAL HA A 22 PHE HDx 1.0 . 1.80 439 332 A 22 PHE HDx A 21 VAL HB 1.0 . 1.80 440 333 A 22 PHE HEx A 21 VAL HB 1.0 . 1.80 441 334 A 22 PHE H A 21 VAL HB 1.0 . 1.80 442 335 A 22 PHE H A 21 VAL HGx% 1.0 . 1.80 443 336 A 22 PHE H A 21 VAL HGy% 1.0 . 1.80 444 337 A 21 VAL H A 22 PHE H 1.0 . 1.80 445 338 A 22 PHE HDx A 22 PHE HA 1.0 . 1.80 446 339 A 22 PHE H A 22 PHE HDx 1.0 . 1.80 447 340 A 23 CYS H A 22 PHE HBx 1.0 . 1.80 448 341 A 23 CYS H A 22 PHE HBy 1.0 . 1.80 449 342 A 22 PHE HDx A 23 CYS H 1.0 . 1.80 450 343 A 22 PHE H A 23 CYS H 1.0 . 1.80 451 344 A 22 PHE HEx A 24 PRO HA 1.0 . 1.80 452 345 A 22 PHE HZ A 24 PRO HA 1.0 . 1.80 453 346 A 22 PHE HDx A 24 PRO HBy 1.0 . 0.05 454 347 A 22 PHE HEx A 24 PRO HBy 1.0 . 0.05 455 348 A 26 ARG H A 26 ARG HE 1.0 . 1.80 456 349 A 27 TYR HDx A 24 PRO HBy 1.0 . 0.05 457 350 A 27 TYR HDx A 24 PRO HGy 1.0 . 0.05 458 351 A 27 TYR HEx A 24 PRO HBy 1.0 . 0.05 459 352 A 26 ARG H A 27 TYR HBx 1.0 . 0.05 460 353 A 27 TYR HA A 27 TYR HDx 1.0 . 1.80 461 354 A 27 TYR H A 27 TYR HEx 1.0 . 1.80 462 355 A 28 LYS H A 27 TYR HBx 1.0 . 1.80 463 356 A 28 LYS H A 27 TYR HBy 1.0 . 1.80 464 357 A 27 TYR HDx A 28 LYS H 1.0 . 1.80 465 358 A 27 TYR H A 28 LYS H 1.0 . 1.80 466 359 A 28 LYS H A 28 LYS HDy 1.0 . 0.05 467 360 A 28 LYS H A 28 LYS HGx 1.0 . 1.80 468 361 A 28 LYS H A 28 LYS HGy 1.0 . 1.80 469 362 A 29 GLN H A 28 LYS HGx 1.0 . 1.80 470 363 A 29 GLN H A 28 LYS HGy 1.0 . 1.80 471 364 A 28 LYS H A 29 GLN H 1.0 . 1.80 472 365 A 29 GLN H A 29 GLN HGy 1.0 . 0.05 473 366 A 30 ILE H A 29 GLN HGy 1.0 . 0.05 474 367 A 29 GLN H A 30 ILE H 1.0 . 1.80 475 368 A 30 ILE H A 30 ILE HD1% 1.0 . 1.80 476 369 A 30 ILE H A 30 ILE HG1x 1.0 . 0.05 477 370 A 10 TYR H A 31 GLY HAy 1.0 . 0.05 478 371 A 30 ILE HB A 31 GLY H 1.0 . 1.80 479 372 A 30 ILE HD1% A 31 GLY H 1.0 . 1.80 480 373 A 30 ILE H A 31 GLY H 1.0 . 1.80 481 374 A 29 GLN HE2x A 32 THR HG21 1.0 . 1.80 482 375 A 32 THR HG21 A 29 GLN HE2y 1.0 . 1.80 483 376 A 32 THR HG21 A 31 GLY HAy 1.0 . 0.05 484 377 A 31 GLY H A 32 THR H 1.0 . 1.80 485 378 A 32 THR HG21 A 32 THR H 1.0 . 1.80 486 379 A 9 TYR HDx A 33 CYS HA 1.0 . 1.80 487 380 A 10 TYR H A 33 CYS HBy 1.0 . 0.05 488 381 A 33 CYS H A 17 ILE HG1x 1.0 . 0.05 489 382 A 32 THR HG21 A 33 CYS H 1.0 . 1.80 490 383 A 35 LEU H A 35 LEU HG 1.0 . 1.80 491 384 A 37 GLY H A 36 PRO HBy 1.0 . 1.80 492 385 A 37 GLY H A 36 PRO HBx 1.0 . 1.80 493 386 A 19 HIS H A 38 THR HA 1.0 . 1.80 494 387 A 19 HIS HD1 A 38 THR HG2% 1.0 . 1.80 495 388 A 19 HIS H A 38 THR HG2% 1.0 . 1.80 496 389 A 21 VAL H A 38 THR HG2% 1.0 . 1.80 497 390 A 32 THR HG21 A 38 THR H 1.0 . 1.80 498 391 A 33 CYS H A 38 THR HB 1.0 . 1.80 499 392 A 33 CYS H A 38 THR HG2% 1.0 . 1.80 500 393 A 38 THR H A 35 LEU HBx 1.0 . 0.05 501 394 A 36 PRO HA A 38 THR H 1.0 . 1.80 502 395 A 37 GLY H A 38 THR H 1.0 . 1.80 503 396 A 38 THR HG2% A 38 THR H 1.0 . 1.80 504 397 A 18 CYS HA A 39 LYS H 1.0 . 1.80 505 398 A 19 HIS H A 39 LYS H 1.0 . 1.80 506 399 A 23 CYS H A 39 LYS HGy 1.0 . 0.05 507 400 A 27 TYR HDx A 39 LYS HEx 1.0 . 0.05 508 401 A 27 TYR HEx A 39 LYS HEx 1.0 . 0.05 509 402 A 27 TYR HDx A 39 LYS HGx 1.0 . 0.05 510 403 A 27 TYR HEx A 39 LYS H 1.0 . 1.80 511 404 A 28 LYS H A 39 LYS HEx 1.0 . 0.05 512 405 A 31 GLY H A 39 LYS HDy 1.0 . 0.05 513 406 A 32 THR HA A 39 LYS H 1.0 . 1.80 514 407 A 33 CYS H A 39 LYS HA 1.0 . 1.80 515 408 A 38 THR HG2% A 39 LYS H 1.0 . 1.80 516 409 A 38 THR H A 39 LYS H 1.0 . 1.80 517 410 A 39 LYS H A 39 LYS HDy 1.0 . 0.05 518 411 A 39 LYS H A 39 LYS HEx 1.0 . 0.05 519 412 A 39 LYS H A 39 LYS HGy 1.0 . 1.80 520 413 A 39 LYS H A 39 LYS HGx 1.0 . 1.80 521 414 A 18 CYS HA A 40 CYS HA 1.0 . 1.80 522 415 A 19 HIS H A 40 CYS HA 1.0 . 1.80 523 416 A 40 CYS H A 29 GLN HGy 1.0 . 0.05 524 417 A 30 ILE H A 40 CYS HBy 1.0 . 0.05 525 418 A 31 GLY H A 40 CYS HBx 1.0 . 1.80 526 419 A 31 GLY H A 40 CYS HBy 1.0 . 1.80 527 420 A 31 GLY H A 40 CYS H 1.0 . 1.80 528 421 A 32 THR HA A 40 CYS H 1.0 . 1.80 529 422 A 40 CYS H A 39 LYS HDy 1.0 . 0.05 530 423 A 18 CYS HA A 41 CYS H 1.0 . 1.80 531 424 A 19 HIS H A 41 CYS H 1.0 . 1.80 532 425 A 27 TYR HDx A 41 CYS HA 1.0 . 1.80 533 426 A 27 TYR HDx A 41 CYS HBy 1.0 . 0.05 534 427 A 27 TYR HEx A 41 CYS HBy 1.0 . 0.05 535 428 A 27 TYR H A 41 CYS HBy 1.0 . 0.05 536 429 A 28 LYS H A 41 CYS HA 1.0 . 1.80 537 430 A 29 GLN HA A 41 CYS HA 1.0 . 1.80 538 431 A 30 ILE HD1% A 41 CYS HA 1.0 . 1.80 539 432 A 30 ILE H A 41 CYS HA 1.0 . 1.80 540 433 A 41 CYS H A 39 LYS HGy 1.0 . 0.05 541 434 A 27 TYR HA A 42 LYS H 1.0 . 1.80 542 435 A 42 LYS H A 27 TYR HBy 1.0 . 0.05 543 436 A 27 TYR HDx A 42 LYS H 1.0 . 1.80 544 437 A 28 LYS H A 42 LYS H 1.0 . 1.80 545 438 A 29 GLN HA A 42 LYS H 1.0 . 1.80 546 439 A 30 ILE HD1% A 42 LYS H 1.0 . 1.80 547 440 A 42 LYS H A 42 LYS HDy 1.0 . 0.05 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type upper-bound-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 23 CYS SG A 41 CYS SG 1.0 . 2.0 2 2 A 23 CYS SG A 41 CYS CB 1.0 . 3.0 3 3 A 41 CYS SG A 23 CYS CB 1.0 . 3.0 4 4 A 11 CYS SG A 40 CYS SG 1.0 . 2.0 5 5 A 11 CYS SG A 40 CYS CB 1.0 . 3.0 6 6 A 40 CYS SG A 11 CYS CB 1.0 . 3.0 7 7 A 18 CYS SG A 33 CYS SG 1.0 . 2.0 8 8 A 18 CYS SG A 33 CYS CB 1.0 . 3.0 9 9 A 33 CYS SG A 18 CYS CB 1.0 . 3.0 stop_ save_ save_DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type lower-bound-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 7 GLN H A 7 GLN HGx 1.0 0.05 . 2 1 A 7 GLN H A 7 GLN HGy 1.0 0.05 . 3 2 A 7 GLN H A 7 GLN HGy 1.0 0.05 . 4 3 A 9 TYR HDx A 7 GLN HBy 1.0 0.05 . 5 3 A 9 TYR HDx A 7 GLN HBx 1.0 0.05 . 6 4 A 9 TYR HDx A 7 GLN HBy 1.0 0.05 . 7 5 A 9 TYR HEx A 7 GLN HBy 1.0 0.05 . 8 5 A 9 TYR HEx A 7 GLN HBx 1.0 0.05 . 9 6 A 9 TYR HEx A 7 GLN HBy 1.0 0.05 . 10 7 A 8 LYS H A 7 GLN HGx 1.0 0.05 . 11 7 A 8 LYS H A 7 GLN HGy 1.0 0.05 . 12 8 A 8 LYS H A 7 GLN HGy 1.0 0.05 . 13 9 A 8 LYS H A 8 LYS HEy 1.0 0.05 . 14 9 A 8 LYS H A 8 LYS HEx 1.0 0.05 . 15 10 A 8 LYS H A 8 LYS HEy 1.0 0.05 . 16 11 A 9 TYR H A 8 LYS HGy 1.0 0.05 . 17 11 A 9 TYR H A 8 LYS HGx 1.0 0.05 . 18 12 A 9 TYR H A 8 LYS HGy 1.0 0.05 . 19 13 A 10 TYR HDx A 8 LYS HGy 1.0 0.05 . 20 13 A 10 TYR HDx A 8 LYS HGx 1.0 0.05 . 21 14 A 10 TYR HDx A 8 LYS HGx 1.0 0.05 . 22 15 A 11 CYS H A 8 LYS HGy 1.0 0.05 . 23 15 A 11 CYS H A 8 LYS HGx 1.0 0.05 . 24 16 A 11 CYS H A 8 LYS HGx 1.0 0.05 . 25 17 A 9 TYR H A 8 LYS HDy 1.0 0.05 . 26 17 A 9 TYR H A 8 LYS HDx 1.0 0.05 . 27 18 A 9 TYR H A 8 LYS HDy 1.0 0.05 . 28 19 A 9 TYR HDx A 8 LYS HEy 1.0 0.05 . 29 19 A 9 TYR HDx A 8 LYS HEx 1.0 0.05 . 30 20 A 9 TYR HDx A 8 LYS HEy 1.0 0.05 . 31 21 A 9 TYR HEx A 8 LYS HEy 1.0 0.05 . 32 21 A 9 TYR HEx A 8 LYS HEx 1.0 0.05 . 33 22 A 9 TYR HEx A 8 LYS HEy 1.0 0.05 . 34 23 A 10 TYR HDx A 8 LYS HEy 1.0 0.05 . 35 23 A 10 TYR HDx A 8 LYS HEx 1.0 0.05 . 36 24 A 10 TYR HDx A 8 LYS HEy 1.0 0.05 . 37 25 A 10 TYR HEx A 8 LYS HEy 1.0 0.05 . 38 25 A 10 TYR HEx A 8 LYS HEx 1.0 0.05 . 39 26 A 10 TYR HEx A 8 LYS HEy 1.0 0.05 . 40 27 A 9 TYR HDx A 11 CYS HBx 1.0 0.05 . 41 27 A 9 TYR HDx A 11 CYS HBy 1.0 0.05 . 42 28 A 9 TYR HDx A 11 CYS HBx 1.0 0.05 . 43 29 A 10 TYR H A 31 GLY HAy 1.0 0.05 . 44 29 A 10 TYR H A 31 GLY HAx 1.0 0.05 . 45 30 A 10 TYR H A 31 GLY HAx 1.0 0.05 . 46 31 A 10 TYR H A 33 CYS HBx 1.0 0.05 . 47 31 A 10 TYR H A 33 CYS HBy 1.0 0.05 . 48 32 A 10 TYR H A 33 CYS HBx 1.0 0.05 . 49 33 A 10 TYR HEx A 11 CYS HBx 1.0 0.05 . 50 33 A 10 TYR HEx A 11 CYS HBy 1.0 0.05 . 51 34 A 10 TYR HEx A 11 CYS HBx 1.0 0.05 . 52 35 A 17 ILE H A 17 ILE HG1y 1.0 0.05 . 53 35 A 17 ILE H A 17 ILE HG1x 1.0 0.05 . 54 36 A 17 ILE H A 17 ILE HG1y 1.0 0.05 . 55 37 A 33 CYS H A 17 ILE HG1y 1.0 0.05 . 56 37 A 33 CYS H A 17 ILE HG1x 1.0 0.05 . 57 38 A 33 CYS H A 17 ILE HG1y 1.0 0.05 . 58 39 A 19 HIS HE2 A 20 PRO HGx 1.0 0.05 . 59 39 A 19 HIS HE2 A 20 PRO HGy 1.0 0.05 . 60 40 A 19 HIS HE2 A 20 PRO HGx 1.0 0.05 . 61 41 A 22 PHE HDx A 24 PRO HBy 1.0 0.05 . 62 41 A 22 PHE HDx A 24 PRO HBx 1.0 0.05 . 63 42 A 22 PHE HDx A 24 PRO HBx 1.0 0.05 . 64 43 A 22 PHE HEx A 24 PRO HBy 1.0 0.05 . 65 43 A 22 PHE HEx A 24 PRO HBx 1.0 0.05 . 66 44 A 22 PHE HEx A 24 PRO HBx 1.0 0.05 . 67 45 A 23 CYS H A 39 LYS HGx 1.0 0.05 . 68 45 A 23 CYS H A 39 LYS HGy 1.0 0.05 . 69 46 A 23 CYS H A 39 LYS HGx 1.0 0.05 . 70 47 A 27 TYR HDx A 24 PRO HBy 1.0 0.05 . 71 47 A 27 TYR HDx A 24 PRO HBx 1.0 0.05 . 72 48 A 27 TYR HDx A 24 PRO HBx 1.0 0.05 . 73 49 A 27 TYR HEx A 24 PRO HBy 1.0 0.05 . 74 49 A 27 TYR HEx A 24 PRO HBx 1.0 0.05 . 75 50 A 27 TYR HEx A 24 PRO HBx 1.0 0.05 . 76 51 A 27 TYR HDx A 24 PRO HGx 1.0 0.05 . 77 51 A 27 TYR HDx A 24 PRO HGy 1.0 0.05 . 78 52 A 27 TYR HDx A 24 PRO HGx 1.0 0.05 . 79 53 A 26 ARG H A 27 TYR HBx 1.0 0.05 . 80 53 A 26 ARG H A 27 TYR HBy 1.0 0.05 . 81 54 A 26 ARG H A 27 TYR HBy 1.0 0.05 . 82 55 A 27 TYR H A 41 CYS HBy 1.0 0.05 . 83 55 A 27 TYR H A 41 CYS HBx 1.0 0.05 . 84 56 A 27 TYR H A 41 CYS HBx 1.0 0.05 . 85 57 A 42 LYS H A 27 TYR HBx 1.0 0.05 . 86 57 A 42 LYS H A 27 TYR HBy 1.0 0.05 . 87 58 A 42 LYS H A 27 TYR HBx 1.0 0.05 . 88 59 A 27 TYR HDx A 39 LYS HGx 1.0 0.05 . 89 59 A 27 TYR HDx A 39 LYS HGy 1.0 0.05 . 90 60 A 27 TYR HDx A 39 LYS HGy 1.0 0.05 . 91 61 A 27 TYR HDx A 39 LYS HEy 1.0 0.05 . 92 61 A 27 TYR HDx A 39 LYS HEx 1.0 0.05 . 93 62 A 27 TYR HDx A 39 LYS HEy 1.0 0.05 . 94 63 A 27 TYR HDx A 41 CYS HBy 1.0 0.05 . 95 63 A 27 TYR HDx A 41 CYS HBx 1.0 0.05 . 96 64 A 27 TYR HDx A 41 CYS HBx 1.0 0.05 . 97 65 A 27 TYR HEx A 39 LYS HEy 1.0 0.05 . 98 65 A 27 TYR HEx A 39 LYS HEx 1.0 0.05 . 99 66 A 27 TYR HEx A 39 LYS HEy 1.0 0.05 . 100 67 A 27 TYR HEx A 41 CYS HBy 1.0 0.05 . 101 67 A 27 TYR HEx A 41 CYS HBx 1.0 0.05 . 102 68 A 27 TYR HEx A 41 CYS HBx 1.0 0.05 . 103 69 A 28 LYS H A 28 LYS HDy 1.0 0.05 . 104 69 A 28 LYS H A 28 LYS HDx 1.0 0.05 . 105 70 A 28 LYS H A 28 LYS HDx 1.0 0.05 . 106 71 A 28 LYS H A 39 LYS HEy 1.0 0.05 . 107 71 A 28 LYS H A 39 LYS HEx 1.0 0.05 . 108 72 A 28 LYS H A 39 LYS HEy 1.0 0.05 . 109 73 A 29 GLN H A 29 GLN HGy 1.0 0.05 . 110 73 A 29 GLN H A 29 GLN HGx 1.0 0.05 . 111 74 A 29 GLN H A 29 GLN HGx 1.0 0.05 . 112 75 A 30 ILE H A 29 GLN HGy 1.0 0.05 . 113 75 A 30 ILE H A 29 GLN HGx 1.0 0.05 . 114 76 A 30 ILE H A 29 GLN HGx 1.0 0.05 . 115 77 A 40 CYS H A 29 GLN HGy 1.0 0.05 . 116 77 A 40 CYS H A 29 GLN HGx 1.0 0.05 . 117 78 A 40 CYS H A 29 GLN HGx 1.0 0.05 . 118 79 A 30 ILE H A 30 ILE HG1y 1.0 0.05 . 119 79 A 30 ILE H A 30 ILE HG1x 1.0 0.05 . 120 80 A 30 ILE H A 30 ILE HG1y 1.0 0.05 . 121 81 A 30 ILE H A 40 CYS HBx 1.0 0.05 . 122 81 A 30 ILE H A 40 CYS HBy 1.0 0.05 . 123 82 A 30 ILE H A 40 CYS HBx 1.0 0.05 . 124 83 A 31 GLY H A 39 LYS HDy 1.0 0.05 . 125 83 A 31 GLY H A 39 LYS HDx 1.0 0.05 . 126 84 A 31 GLY H A 39 LYS HDx 1.0 0.05 . 127 85 A 32 THR HG21 A 31 GLY HAy 1.0 0.05 . 128 85 A 32 THR HG21 A 31 GLY HAx 1.0 0.05 . 129 86 A 32 THR HG21 A 31 GLY HAx 1.0 0.05 . 130 87 A 38 THR H A 35 LEU HBy 1.0 0.05 . 131 87 A 38 THR H A 35 LEU HBx 1.0 0.05 . 132 88 A 38 THR H A 35 LEU HBy 1.0 0.05 . 133 89 A 39 LYS H A 39 LYS HDy 1.0 0.05 . 134 89 A 39 LYS H A 39 LYS HDx 1.0 0.05 . 135 90 A 39 LYS H A 39 LYS HDx 1.0 0.05 . 136 91 A 39 LYS H A 39 LYS HEy 1.0 0.05 . 137 91 A 39 LYS H A 39 LYS HEx 1.0 0.05 . 138 92 A 39 LYS H A 39 LYS HEy 1.0 0.05 . 139 93 A 41 CYS H A 39 LYS HGx 1.0 0.05 . 140 93 A 41 CYS H A 39 LYS HGy 1.0 0.05 . 141 94 A 41 CYS H A 39 LYS HGx 1.0 0.05 . 142 95 A 40 CYS H A 39 LYS HDy 1.0 0.05 . 143 95 A 40 CYS H A 39 LYS HDx 1.0 0.05 . 144 96 A 40 CYS H A 39 LYS HDx 1.0 0.05 . 145 97 A 42 LYS H A 42 LYS HDy 1.0 0.05 . 146 97 A 42 LYS H A 42 LYS HDx 1.0 0.05 . 147 98 A 42 LYS H A 42 LYS HDx 1.0 0.05 . stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-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 38 THR H A 35 LEU O 1.0 . 1.8 2 2 A 35 LEU O A 38 THR N 1.0 . 2.7 3 3 A 40 CYS H A 31 GLY O 1.0 . 1.8 4 4 A 31 GLY O A 40 CYS N 1.0 . 2.7 5 5 A 30 ILE H A 40 CYS O 1.0 . 1.8 6 6 A 40 CYS O A 30 ILE N 1.0 . 2.7 7 7 A 19 HIS H A 39 LYS O 1.0 . 1.8 8 8 A 39 LYS O A 19 HIS N 1.0 . 2.7 9 9 A 33 CYS H A 38 THR O 1.0 . 1.8 10 10 A 38 THR O A 33 CYS N 1.0 . 2.7 11 11 A 27 TYR H A 25 ARG O 1.0 . 1.8 12 12 A 25 ARG O A 27 TYR N 1.0 . 2.7 stop_ save_