data_nef_c26056_2ndd save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2NDD stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 2 CYS SG 1 19 CYS SG 1 6 CYS SG 1 15 CYS SG 1 25 HIS C 1 26 NH2 N stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 SER start . . 2 A 2 CYS middle -HG . 3 A 3 LYS middle . . 4 A 4 LYS middle . . 5 A 5 GLU middle . . 6 A 6 CYS middle -HG . 7 A 7 SER middle . . 8 A 8 GLY middle . false 9 A 9 SER middle . . 10 A 10 ARG middle . . 11 A 11 ARG middle . . 12 A 12 THR middle . . 13 A 13 LYS middle . . 14 A 14 LYS middle . . 15 A 15 CYS middle -HG . 16 A 16 MET middle . . 17 A 17 GLN middle . . 18 A 18 LYS middle . . 19 A 19 CYS middle -HG . 20 A 20 ASN middle . . 21 A 21 ARG middle . . 22 A 22 GLU middle . . 23 A 23 HIS middle . . 24 A 24 GLY middle . false 25 A 25 HIS middle . . 26 A 26 NH2 end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 CYS H H 1 9.4053 . A 2 CYS HA H 1 4.6113 . A 2 CYS HBy H 1 3.0602 . A 2 CYS HBx H 1 2.8833 . A 3 LYS H H 1 8.5358 . A 3 LYS HA H 1 3.9727 . A 3 LYS HBy H 1 1.7431 . A 3 LYS HBx H 1 1.6680 . A 3 LYS HDy H 1 1.3880 . A 3 LYS HDx H 1 1.3877 . A 3 LYS HGx H 1 1.3090 . A 3 LYS HGy H 1 1.3090 . A 5 GLU H H 1 8.1170 . A 5 GLU HA H 1 4.1706 . A 5 GLU HBy H 1 2.1710 . A 5 GLU HBx H 1 2.1708 . A 5 GLU HGy H 1 2.5092 . A 5 GLU HGx H 1 2.4226 . A 6 CYS H H 1 8.1186 . A 6 CYS HA H 1 4.9222 . A 6 CYS HBy H 1 3.2313 . A 6 CYS HBx H 1 2.8933 . A 7 SER H H 1 8.4649 . A 7 SER HA H 1 4.4447 . A 7 SER HBx H 1 3.9006 . A 7 SER HBy H 1 3.9300 . A 8 GLY H H 1 8.8880 . A 8 GLY HAy H 1 4.0137 . A 8 GLY HAx H 1 3.8789 . A 9 SER H H 1 8.2523 . A 9 SER HA H 1 4.3987 . A 9 SER HBy H 1 3.8480 . A 9 SER HBx H 1 3.8476 . A 10 ARG H H 1 7.9604 . A 10 ARG HA H 1 4.3936 . A 10 ARG HBy H 1 1.9357 . A 10 ARG HBx H 1 1.6147 . A 10 ARG HDx H 1 3.2470 . A 10 ARG HDy H 1 3.2470 . A 10 ARG HGy H 1 1.5474 . A 10 ARG HGx H 1 1.5434 . A 11 ARG H H 1 8.4247 . A 11 ARG HA H 1 4.3004 . A 11 ARG HBy H 1 1.8732 . A 11 ARG HBx H 1 1.7194 . A 11 ARG HGy H 1 1.6400 . A 11 ARG HGx H 1 1.6397 . A 12 THR H H 1 7.9620 . A 12 THR HA H 1 4.2978 . A 12 THR HB H 1 4.2096 . A 12 THR HG2% H 1 1.1612 . A 13 LYS H H 1 8.6407 . A 13 LYS HA H 1 4.0238 . A 13 LYS HBy H 1 1.7743 . A 13 LYS HBx H 1 1.6375 . A 13 LYS HDy H 1 1.4609 . A 13 LYS HDx H 1 1.4574 . A 13 LYS HGy H 1 1.3279 . A 13 LYS HGx H 1 1.3262 . A 14 LYS H H 1 8.0854 . A 14 LYS HA H 1 4.0999 . A 14 LYS HBy H 1 1.7671 . A 14 LYS HBx H 1 1.6365 . A 14 LYS HDx H 1 1.4604 . A 14 LYS HDy H 1 1.4604 . A 14 LYS HGy H 1 1.3537 . A 14 LYS HGx H 1 1.3534 . A 15 CYS H H 1 8.2521 . A 15 CYS HA H 1 4.2831 . A 15 CYS HBy H 1 3.2584 . A 15 CYS HBx H 1 3.0862 . A 16 MET H H 1 8.5184 . A 16 MET HA H 1 4.2270 . A 16 MET HBy H 1 2.1715 . A 16 MET HBx H 1 1.9969 . A 16 MET HGy H 1 2.6313 . A 16 MET HGx H 1 2.5396 . A 17 GLN H H 1 8.3492 . A 17 GLN HA H 1 4.1232 . A 17 GLN HBy H 1 2.1408 . A 17 GLN HBx H 1 2.0530 . A 17 GLN HE2y H 1 7.4951 . A 17 GLN HE2x H 1 6.8567 . A 17 GLN HGy H 1 2.5083 . A 17 GLN HGx H 1 2.3144 . A 18 LYS H H 1 7.8915 . A 18 LYS HA H 1 4.0677 . A 18 LYS HDx H 1 1.4543 . A 18 LYS HDy H 1 1.4543 . A 18 LYS HGx H 1 1.3320 . A 18 LYS HGy H 1 1.3320 . A 19 CYS H H 1 8.5392 . A 19 CYS HA H 1 4.3867 . A 19 CYS HBy H 1 3.2149 . A 19 CYS HBx H 1 3.0712 . A 20 ASN H H 1 8.6458 . A 20 ASN HA H 1 4.5672 . A 20 ASN HBy H 1 2.8638 . A 20 ASN HBx H 1 2.7962 . A 20 ASN HD2y H 1 7.6104 . A 20 ASN HD2x H 1 6.9158 . A 21 ARG H H 1 7.8696 . A 21 ARG HA H 1 4.2095 . A 21 ARG HBy H 1 1.9083 . A 21 ARG HBx H 1 1.7163 . A 21 ARG HDy H 1 3.1799 . A 21 ARG HDx H 1 3.1741 . A 21 ARG HGx H 1 1.6387 . A 21 ARG HGy H 1 1.6387 . A 22 GLU H H 1 8.0275 . A 22 GLU HA H 1 4.2113 . A 22 GLU HBy H 1 2.0200 . A 22 GLU HBx H 1 2.0169 . A 22 GLU HGy H 1 2.5031 . A 22 GLU HGx H 1 2.4199 . A 23 HIS H H 1 8.2342 . A 23 HIS HA H 1 4.6798 . A 23 HIS HBy H 1 3.3707 . A 23 HIS HBx H 1 3.1711 . A 24 GLY H H 1 8.2784 . A 24 GLY HAy H 1 3.9292 . A 24 GLY HAx H 1 3.9290 . A 25 HIS H H 1 8.4078 . A 25 HIS HA H 1 4.7111 . A 25 HIS HBy H 1 3.2760 . A 25 HIS HBx H 1 3.1411 . stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 12 THR H A 12 THR HB 1.0 0.0 3.45 2 2 A 12 THR H A 12 THR HG1 1.0 0.0 3.85 3 3 A 20 ASN H A 20 ASN HBy 1.0 0.0 3.62 4 4 A 20 ASN H A 20 ASN HBx 1.0 0.0 3.62 5 5 A 12 THR HG1 A 12 THR HA 1.0 0.0 3.53 6 6 A 12 THR HA A 12 THR HG2% 1.0 0.0 4.06 7 7 A 12 THR HA A 12 THR HG2% 1.0 0.0 3.85 8 8 A 21 ARG H A 21 ARG HDy 1.0 0.0 5.50 9 9 A 21 ARG H A 21 ARG HDx 1.0 0.0 5.50 10 10 A 21 ARG H A 21 ARG HGx 1.0 0.0 5.13 11 11 A 21 ARG H A 21 ARG HGy 1.0 0.0 5.13 12 12 A 21 ARG H A 21 ARG HBy 1.0 0.0 3.03 13 13 A 21 ARG HBy A 21 ARG HA 1.0 0.0 2.93 14 14 A 21 ARG HBy A 22 GLU H 1.0 0.0 3.64 15 15 A 22 GLU H A 22 GLU HBy 1.0 0.0 3.44 16 16 A 22 GLU H A 22 GLU HGy 1.0 0.0 4.91 17 17 A 22 GLU H A 22 GLU HGx 1.0 0.0 4.29 18 18 A 22 GLU HGy A 22 GLU HA 1.0 0.0 3.44 19 19 A 2 CYS HA A 5 GLU HBy 1.0 0.0 4.44 20 20 A 2 CYS HA A 5 GLU HBx 1.0 0.0 4.44 21 21 A 19 CYS H A 19 CYS HBx 1.0 0.0 3.61 22 22 A 19 CYS H A 19 CYS HBy 1.0 0.0 3.61 23 23 A 21 ARG H A 20 ASN HBx 1.0 0.0 4.97 24 24 A 21 ARG H A 20 ASN HBy 1.0 0.0 4.97 25 25 A 12 THR HB A 13 LYS H 1.0 0.0 3.81 26 26 A 2 CYS HA A 5 GLU H 1.0 0.0 4.83 27 27 A 2 CYS HA A 6 CYS H 1.0 0.0 5.37 28 28 A 2 CYS H A 5 GLU HBy 1.0 0.0 5.50 29 29 A 2 CYS H A 5 GLU HBx 1.0 0.0 5.50 30 30 A 2 CYS H A 5 GLU HGy 1.0 0.0 5.50 31 31 A 2 CYS H A 5 GLU HGx 1.0 0.0 5.50 32 32 A 10 ARG H A 10 ARG HBx 1.0 0.0 4.10 33 33 A 10 ARG H A 10 ARG HBy 1.0 0.0 4.10 34 34 A 11 ARG H A 11 ARG HBx 1.0 0.0 3.69 35 35 A 11 ARG H A 11 ARG HBy 1.0 0.0 3.69 36 36 A 12 THR H A 11 ARG HA 1.0 0.0 3.12 37 37 A 17 GLN H A 17 GLN HBx 1.0 0.0 3.58 38 38 A 17 GLN H A 17 GLN HBy 1.0 0.0 3.58 39 39 A 17 GLN HE2y A 20 ASN HBx 1.0 0.0 5.05 40 40 A 17 GLN HE2y A 20 ASN HBy 1.0 0.0 5.05 41 41 A 17 GLN HE2x A 20 ASN HBx 1.0 0.0 5.05 42 42 A 17 GLN HE2x A 20 ASN HBy 1.0 0.0 5.05 43 43 A 18 LYS H A 18 LYS HGx 1.0 0.0 4.94 44 44 A 18 LYS H A 18 LYS HGy 1.0 0.0 4.94 45 45 A 18 LYS H A 18 LYS HDx 1.0 0.0 4.88 46 46 A 18 LYS H A 18 LYS HDy 1.0 0.0 4.88 47 47 A 18 LYS H A 17 GLN HBx 1.0 0.0 5.50 48 48 A 18 LYS H A 17 GLN HBy 1.0 0.0 5.50 49 49 A 17 GLN H A 18 LYS HDx 1.0 0.0 5.50 50 50 A 17 GLN H A 18 LYS HDy 1.0 0.0 5.50 51 51 A 17 GLN H A 12 THR HG2% 1.0 0.0 5.50 52 52 A 22 GLU HBy A 23 HIS H 1.0 0.0 3.92 53 53 A 23 HIS H A 20 ASN HA 1.0 0.0 5.50 54 54 A 16 MET H A 16 MET HBx 1.0 0.0 4.11 55 55 A 16 MET H A 16 MET HBy 1.0 0.0 4.11 56 56 A 16 MET H A 16 MET HGx 1.0 0.0 4.71 57 57 A 16 MET H A 16 MET HGy 1.0 0.0 4.71 58 58 A 12 THR HA A 14 LYS H 1.0 0.0 4.16 59 59 A 14 LYS H A 14 LYS HGy 1.0 0.0 5.19 60 60 A 14 LYS H A 14 LYS HGx 1.0 0.0 5.19 61 61 A 14 LYS H A 14 LYS HDx 1.0 0.0 5.50 62 62 A 14 LYS H A 14 LYS HDy 1.0 0.0 5.50 63 63 A 14 LYS H A 14 LYS HBx 1.0 0.0 3.79 64 64 A 14 LYS H A 13 LYS HBy 1.0 0.0 3.55 65 65 A 14 LYS H A 14 LYS HBy 1.0 0.0 3.79 66 66 A 12 THR HG1 A 13 LYS H 1.0 0.0 5.21 67 67 A 13 LYS H A 12 THR HG2% 1.0 0.0 5.50 68 68 A 13 LYS H A 13 LYS HDy 1.0 0.0 5.50 69 69 A 13 LYS H A 13 LYS HDx 1.0 0.0 5.50 70 70 A 13 LYS H A 13 LYS HBy 1.0 0.0 3.45 71 71 A 13 LYS HA A 13 LYS HDy 1.0 0.0 5.27 72 72 A 13 LYS HA A 13 LYS HDx 1.0 0.0 5.27 73 73 A 14 LYS HA A 14 LYS HDx 1.0 0.0 5.50 74 74 A 14 LYS HA A 14 LYS HDy 1.0 0.0 5.50 75 75 A 14 LYS HA A 14 LYS HGy 1.0 0.0 4.15 76 76 A 14 LYS HA A 14 LYS HGx 1.0 0.0 4.15 77 77 A 15 CYS H A 15 CYS HBy 1.0 0.0 3.82 78 78 A 15 CYS H A 15 CYS HBx 1.0 0.0 3.82 79 79 A 13 LYS H A 11 ARG HA 1.0 0.0 4.54 80 80 A 20 ASN H A 17 GLN HA 1.0 0.0 5.20 81 81 A 22 GLU HA A 23 HIS H 1.0 0.0 3.50 82 82 A 12 THR HG1 A 11 ARG HA 1.0 0.0 5.50 83 83 A 12 THR H A 13 LYS HBy 1.0 0.0 4.15 84 84 A 3 LYS H A 3 LYS HBy 1.0 0.0 3.83 85 85 A 3 LYS H A 3 LYS HBx 1.0 0.0 3.83 86 86 A 3 LYS H A 3 LYS HGx 1.0 0.0 5.20 87 87 A 3 LYS H A 3 LYS HGy 1.0 0.0 5.20 88 88 A 3 LYS H A 3 LYS HDy 1.0 0.0 5.50 89 89 A 3 LYS H A 3 LYS HDx 1.0 0.0 5.50 90 90 A 16 MET H A 12 THR HG2% 1.0 0.0 5.09 91 91 A 20 ASN H A 19 CYS HBx 1.0 0.0 4.25 92 92 A 20 ASN H A 19 CYS HBy 1.0 0.0 4.25 93 93 A 13 LYS HA A 15 CYS H 1.0 0.0 5.40 94 94 A 10 ARG H A 9 SER HBy 1.0 0.0 5.08 95 95 A 10 ARG H A 9 SER HBx 1.0 0.0 5.08 96 96 A 11 ARG HBx A 9 SER H 1.0 0.0 4.34 97 97 A 15 CYS H A 14 LYS HDx 1.0 0.0 5.50 98 98 A 15 CYS H A 14 LYS HDy 1.0 0.0 5.50 99 99 A 15 CYS H A 14 LYS HGy 1.0 0.0 5.50 100 100 A 15 CYS H A 14 LYS HGx 1.0 0.0 5.50 101 101 A 15 CYS H A 12 THR HG2% 1.0 0.0 5.32 102 102 A 5 GLU H A 3 LYS HA 1.0 0.0 4.81 103 103 A 6 CYS H A 6 CYS HBx 1.0 0.0 3.93 104 104 A 6 CYS H A 6 CYS HBy 1.0 0.0 3.93 105 105 A 8 GLY H A 9 SER HA 1.0 0.0 5.50 106 106 A 11 ARG HA A 8 GLY H 1.0 0.0 5.50 107 107 A 12 THR HG1 A 14 LYS H 1.0 0.0 5.50 108 108 A 14 LYS H A 12 THR HG2% 1.0 0.0 5.50 109 109 A 12 THR H A 13 LYS HA 1.0 0.0 5.50 110 110 A 8 GLY H A 7 SER HA 1.0 0.0 3.34 111 111 A 17 GLN H A 13 LYS HA 1.0 0.0 3.50 112 112 A 22 GLU H A 20 ASN HA 1.0 0.0 5.50 113 113 A 22 GLU H A 19 CYS HA 1.0 0.0 5.23 114 114 A 11 ARG H A 9 SER HBy 1.0 0.0 5.50 115 115 A 11 ARG H A 9 SER HBx 1.0 0.0 5.50 116 116 A 19 CYS H A 18 LYS H 1.0 0.0 3.57 117 117 A 17 GLN H A 16 MET H 1.0 0.0 3.04 118 118 A 22 GLU H A 23 HIS H 1.0 0.0 3.13 119 119 A 2 CYS H A 3 LYS H 1.0 0.0 3.32 120 120 A 10 ARG H A 11 ARG H 1.0 0.0 3.36 121 121 A 5 GLU H A 2 CYS H 1.0 0.0 4.58 122 122 A 11 ARG H A 9 SER H 1.0 0.0 3.82 123 123 A 21 ARG H A 22 GLU H 1.0 0.0 2.92 124 124 A 12 THR H A 13 LYS H 1.0 0.0 3.52 125 125 A 11 ARG H A 8 GLY H 1.0 0.0 4.10 126 126 A 12 THR H A 11 ARG HDx 1.0 0.0 4.55 127 127 A 12 THR H A 11 ARG HDy 1.0 0.0 4.55 128 128 A 9 SER H A 8 GLY H 1.0 0.0 3.66 129 129 A 17 GLN H A 18 LYS H 1.0 0.0 3.41 130 130 A 16 MET H A 15 CYS H 1.0 0.0 3.01 131 131 A 11 ARG HBy A 9 SER H 1.0 0.0 5.27 132 132 A 12 THR H A 13 LYS HGy 1.0 0.0 5.50 133 133 A 12 THR H A 13 LYS HGx 1.0 0.0 5.50 134 134 A 13 LYS H A 11 ARG HBy 1.0 0.0 5.50 135 135 A 11 ARG HBx A 8 GLY H 1.0 0.0 4.14 136 136 A 12 THR HG1 A 8 GLY H 1.0 0.0 5.50 137 137 A 11 ARG HBy A 8 GLY H 1.0 0.0 5.43 138 138 A 22 GLU HBy A 21 ARG HBx 1.0 0.0 5.10 139 139 A 22 GLU HGx A 21 ARG HBx 1.0 0.0 5.50 140 140 A 21 ARG HBy A 22 GLU HGx 1.0 0.0 5.13 141 141 A 3 LYS HA A 3 LYS HDy 1.0 0.0 5.50 142 142 A 3 LYS HA A 3 LYS HDx 1.0 0.0 5.50 143 143 A 13 LYS HA A 12 THR HG2% 1.0 0.0 5.50 144 144 A 13 LYS HA A 12 THR HG2% 1.0 0.0 5.50 145 145 A 12 THR HB A 13 LYS HGy 1.0 0.0 5.50 146 146 A 12 THR HB A 13 LYS HGx 1.0 0.0 5.50 147 147 A 15 CYS HA A 14 LYS HGy 1.0 0.0 5.50 148 148 A 15 CYS HA A 14 LYS HGx 1.0 0.0 5.50 149 149 A 21 ARG HBy A 18 LYS HA 1.0 0.0 4.17 150 150 A 17 GLN HA A 17 GLN HGx 1.0 0.0 3.97 151 151 A 6 CYS HA A 5 GLU HBy 1.0 0.0 5.50 152 152 A 6 CYS HA A 5 GLU HBx 1.0 0.0 5.50 153 153 A 17 GLN HA A 17 GLN HGy 1.0 0.0 3.97 154 154 A 17 GLN HA A 20 ASN HBx 1.0 0.0 4.11 155 155 A 17 GLN HA A 20 ASN HBy 1.0 0.0 4.11 156 156 A 23 HIS HA A 25 HIS HBx 1.0 0.0 5.50 157 157 A 22 GLU HA A 23 HIS HA 1.0 0.0 4.89 158 158 A 20 ASN HA A 17 GLN HA 1.0 0.0 5.29 159 159 A 2 CYS HA A 3 LYS HA 1.0 0.0 5.50 160 160 A 23 HIS HA A 25 HIS HBy 1.0 0.0 5.50 161 161 A 20 ASN H A 21 ARG H 1.0 0.0 5.12 162 162 A 20 ASN H A 19 CYS H 1.0 0.0 2.40 163 163 A 23 HIS H A 24 GLY H 1.0 0.0 2.70 164 164 A 24 GLY H A 25 HIS H 1.0 0.0 2.79 165 165 A 14 LYS H A 15 CYS H 1.0 0.0 3.00 166 166 A 13 LYS H A 14 LYS H 1.0 0.0 3.44 167 167 A 6 CYS H A 7 SER H 1.0 0.0 3.27 168 168 A 8 GLY H A 7 SER H 1.0 0.0 4.75 169 169 A 22 GLU HBy A 19 CYS HA 1.0 0.0 5.50 170 170 A 21 ARG HBx A 18 LYS HA 1.0 0.0 5.41 171 171 A 20 ASN H A 22 GLU HBy 1.0 0.0 5.50 172 172 A 2 CYS H A 2 CYS HBy 1.0 0.0 3.53 173 172 A 2 CYS H A 2 CYS HBx 1.0 0.0 3.53 174 173 A 2 CYS H A 3 LYS HBx 1.0 0.0 5.34 175 173 A 2 CYS H A 3 LYS HBy 1.0 0.0 5.34 176 174 A 2 CYS HA A 5 GLU HBx 1.0 0.0 3.77 177 174 A 2 CYS HA A 5 GLU HBy 1.0 0.0 3.77 178 175 A 3 LYS H A 2 CYS HBy 1.0 0.0 4.08 179 175 A 3 LYS H A 2 CYS HBx 1.0 0.0 4.08 180 176 A 3 LYS H A 3 LYS HBx 1.0 0.0 3.14 181 176 A 3 LYS H A 3 LYS HBy 1.0 0.0 3.14 182 177 A 3 LYS H A 3 LYS HGx 1.0 0.0 4.46 183 177 A 3 LYS H A 3 LYS HGy 1.0 0.0 4.46 184 178 A 3 LYS HA A 3 LYS HDx 1.0 0.0 4.75 185 178 A 3 LYS HA A 3 LYS HDy 1.0 0.0 4.75 186 179 A 3 LYS HBx A 3 LYS HDx 1.0 0.0 3.32 187 179 A 3 LYS HBy A 3 LYS HDx 1.0 0.0 3.32 188 179 A 3 LYS HDy A 3 LYS HBx 1.0 0.0 3.32 189 179 A 3 LYS HBy A 3 LYS HDy 1.0 0.0 3.32 190 180 A 5 GLU H A 5 GLU HGy 1.0 0.0 4.54 191 180 A 5 GLU H A 5 GLU HGx 1.0 0.0 4.54 192 181 A 6 CYS H A 5 GLU HBx 1.0 0.0 4.48 193 181 A 6 CYS H A 5 GLU HBy 1.0 0.0 4.48 194 182 A 5 GLU HBy A 6 CYS HBy 1.0 0.0 4.10 195 182 A 5 GLU HBx A 6 CYS HBy 1.0 0.0 4.10 196 182 A 6 CYS HBx A 5 GLU HBx 1.0 0.0 4.10 197 182 A 5 GLU HBy A 6 CYS HBx 1.0 0.0 4.10 198 183 A 6 CYS H A 5 GLU HGy 1.0 0.0 5.34 199 183 A 6 CYS H A 5 GLU HGx 1.0 0.0 5.34 200 184 A 6 CYS H A 7 SER HBx 1.0 0.0 5.34 201 184 A 6 CYS H A 7 SER HBy 1.0 0.0 5.34 202 185 A 7 SER H A 7 SER HBx 1.0 0.0 3.61 203 185 A 7 SER H A 7 SER HBy 1.0 0.0 3.61 204 186 A 8 GLY H A 7 SER HBx 1.0 0.0 3.95 205 186 A 8 GLY H A 7 SER HBy 1.0 0.0 3.95 206 187 A 8 GLY H A 11 ARG HGy 1.0 0.0 5.34 207 187 A 8 GLY H A 11 ARG HGx 1.0 0.0 5.34 208 188 A 11 ARG H A 8 GLY HAy 1.0 0.0 5.34 209 188 A 11 ARG H A 8 GLY HAx 1.0 0.0 5.34 210 189 A 10 ARG H A 9 SER HBy 1.0 0.0 4.38 211 189 A 10 ARG H A 9 SER HBx 1.0 0.0 4.38 212 190 A 10 ARG H A 10 ARG HBy 1.0 0.0 3.39 213 190 A 10 ARG H A 10 ARG HBx 1.0 0.0 3.39 214 191 A 10 ARG H A 10 ARG HGy 1.0 0.0 3.37 215 191 A 10 ARG H A 10 ARG HGx 1.0 0.0 3.37 216 192 A 10 ARG HA A 10 ARG HGy 1.0 0.0 3.67 217 192 A 10 ARG HGx A 10 ARG HA 1.0 0.0 3.67 218 193 A 11 ARG HA A 11 ARG HGy 1.0 0.0 3.32 219 193 A 11 ARG HA A 11 ARG HGx 1.0 0.0 3.32 220 194 A 12 THR H A 11 ARG HGy 1.0 0.0 3.59 221 194 A 12 THR H A 11 ARG HGx 1.0 0.0 3.59 222 195 A 12 THR HB A 11 ARG HGy 1.0 0.0 5.34 223 195 A 12 THR HB A 11 ARG HGx 1.0 0.0 5.34 224 196 A 13 LYS H A 11 ARG HGy 1.0 0.0 4.24 225 196 A 13 LYS H A 11 ARG HGx 1.0 0.0 4.24 226 197 A 13 LYS HBy A 11 ARG HGy 1.0 0.0 4.72 227 197 A 13 LYS HBy A 11 ARG HGx 1.0 0.0 4.72 228 198 A 14 LYS H A 11 ARG HGy 1.0 0.0 4.55 229 198 A 14 LYS H A 11 ARG HGx 1.0 0.0 4.55 230 199 A 11 ARG HGy A 14 LYS HBx 1.0 0.0 4.75 231 199 A 11 ARG HGx A 14 LYS HBx 1.0 0.0 4.75 232 199 A 14 LYS HBy A 11 ARG HGy 1.0 0.0 4.75 233 199 A 11 ARG HGx A 14 LYS HBy 1.0 0.0 4.75 234 200 A 12 THR H A 11 ARG HDx 1.0 0.0 3.92 235 200 A 12 THR H A 11 ARG HDy 1.0 0.0 3.92 236 201 A 12 THR H A 16 MET HBx 1.0 0.0 5.34 237 201 A 12 THR H A 16 MET HBy 1.0 0.0 5.34 238 202 A 12 THR HA A 16 MET HBx 1.0 0.0 4.01 239 202 A 12 THR HA A 16 MET HBy 1.0 0.0 4.01 240 203 A 13 LYS H A 13 LYS HGy 1.0 0.0 4.72 241 203 A 13 LYS H A 13 LYS HGx 1.0 0.0 4.72 242 204 A 13 LYS H A 13 LYS HDx 1.0 0.0 4.76 243 204 A 13 LYS H A 13 LYS HDy 1.0 0.0 4.76 244 205 A 13 LYS H A 16 MET HBx 1.0 0.0 5.34 245 205 A 13 LYS H A 16 MET HBy 1.0 0.0 5.34 246 206 A 13 LYS HA A 13 LYS HDx 1.0 0.0 4.54 247 206 A 13 LYS HA A 13 LYS HDy 1.0 0.0 4.54 248 207 A 13 LYS HA A 16 MET HBx 1.0 0.0 3.62 249 207 A 13 LYS HA A 16 MET HBy 1.0 0.0 3.62 250 208 A 13 LYS HA A 16 MET HGy 1.0 0.0 4.49 251 208 A 13 LYS HA A 16 MET HGx 1.0 0.0 4.49 252 209 A 13 LYS HA A 17 GLN HBy 1.0 0.0 5.34 253 209 A 13 LYS HA A 17 GLN HBx 1.0 0.0 5.34 254 210 A 17 GLN HE2y A 13 LYS HBx 1.0 0.0 5.34 255 210 A 17 GLN HE2x A 13 LYS HBx 1.0 0.0 5.34 256 211 A 17 GLN HE2x A 13 LYS HGy 1.0 0.0 4.95 257 211 A 17 GLN HE2x A 13 LYS HGx 1.0 0.0 4.95 258 211 A 17 GLN HE2y A 13 LYS HGx 1.0 0.0 4.95 259 211 A 17 GLN HE2y A 13 LYS HGy 1.0 0.0 4.95 260 212 A 14 LYS H A 14 LYS HBx 1.0 0.0 3.32 261 212 A 14 LYS H A 14 LYS HBy 1.0 0.0 3.32 262 213 A 14 LYS H A 14 LYS HGy 1.0 0.0 4.45 263 213 A 14 LYS H A 14 LYS HGx 1.0 0.0 4.45 264 214 A 14 LYS HA A 14 LYS HGy 1.0 0.0 3.56 265 214 A 14 LYS HA A 14 LYS HGx 1.0 0.0 3.56 266 215 A 14 LYS HA A 14 LYS HDy 1.0 0.0 4.70 267 215 A 14 LYS HA A 14 LYS HDx 1.0 0.0 4.70 268 216 A 15 CYS H A 14 LYS HBx 1.0 0.0 3.40 269 216 A 15 CYS H A 14 LYS HBy 1.0 0.0 3.40 270 217 A 15 CYS H A 14 LYS HGy 1.0 0.0 4.84 271 217 A 15 CYS H A 14 LYS HGx 1.0 0.0 4.84 272 218 A 15 CYS H A 15 CYS HBy 1.0 0.0 3.23 273 218 A 15 CYS H A 15 CYS HBx 1.0 0.0 3.23 274 219 A 16 MET H A 15 CYS HBy 1.0 0.0 3.46 275 219 A 16 MET H A 15 CYS HBx 1.0 0.0 3.46 276 220 A 16 MET H A 16 MET HBx 1.0 0.0 3.38 277 220 A 16 MET H A 16 MET HBy 1.0 0.0 3.38 278 221 A 16 MET H A 16 MET HGy 1.0 0.0 4.15 279 221 A 16 MET H A 16 MET HGx 1.0 0.0 4.15 280 222 A 16 MET HA A 16 MET HGy 1.0 0.0 3.50 281 222 A 16 MET HGx A 16 MET HA 1.0 0.0 3.50 282 223 A 16 MET HA A 19 CYS HBy 1.0 0.0 3.40 283 223 A 16 MET HA A 19 CYS HBx 1.0 0.0 3.40 284 224 A 16 MET HBx A 19 CYS HBy 1.0 0.0 4.76 285 224 A 16 MET HBy A 19 CYS HBy 1.0 0.0 4.76 286 224 A 19 CYS HBx A 16 MET HBx 1.0 0.0 4.76 287 224 A 16 MET HBy A 19 CYS HBx 1.0 0.0 4.76 288 225 A 16 MET HGx A 19 CYS HBy 1.0 0.0 5.08 289 225 A 16 MET HGy A 19 CYS HBy 1.0 0.0 5.08 290 225 A 19 CYS HBx A 16 MET HGy 1.0 0.0 5.08 291 225 A 16 MET HGx A 19 CYS HBx 1.0 0.0 5.08 292 226 A 17 GLN H A 17 GLN HBy 1.0 0.0 3.10 293 226 A 17 GLN H A 17 GLN HBx 1.0 0.0 3.10 294 227 A 17 GLN H A 17 GLN HGx 1.0 0.0 4.37 295 227 A 17 GLN H A 17 GLN HGy 1.0 0.0 4.37 296 228 A 17 GLN HA A 17 GLN HGx 1.0 0.0 3.48 297 228 A 17 GLN HA A 17 GLN HGy 1.0 0.0 3.48 298 229 A 17 GLN HE2y A 17 GLN HA 1.0 0.0 5.34 299 229 A 17 GLN HE2x A 17 GLN HA 1.0 0.0 5.34 300 230 A 17 GLN HA A 20 ASN HBx 1.0 0.0 3.49 301 230 A 17 GLN HA A 20 ASN HBy 1.0 0.0 3.49 302 231 A 20 ASN H A 17 GLN HBy 1.0 0.0 5.34 303 231 A 20 ASN H A 17 GLN HBx 1.0 0.0 5.34 304 232 A 20 ASN H A 17 GLN HGx 1.0 0.0 5.34 305 232 A 20 ASN H A 17 GLN HGy 1.0 0.0 5.34 306 233 A 17 GLN HE2y A 20 ASN HBy 1.0 0.0 3.80 307 233 A 17 GLN HE2y A 20 ASN HBx 1.0 0.0 3.80 308 233 A 17 GLN HE2x A 20 ASN HBy 1.0 0.0 3.80 309 233 A 17 GLN HE2x A 20 ASN HBx 1.0 0.0 3.80 310 234 A 18 LYS H A 18 LYS HGx 1.0 0.0 4.27 311 234 A 18 LYS H A 18 LYS HGy 1.0 0.0 4.27 312 235 A 18 LYS H A 18 LYS HDy 1.0 0.0 4.12 313 235 A 18 LYS H A 18 LYS HDx 1.0 0.0 4.12 314 236 A 19 CYS H A 19 CYS HBy 1.0 0.0 3.14 315 236 A 19 CYS H A 19 CYS HBx 1.0 0.0 3.14 316 237 A 19 CYS H A 20 ASN HBx 1.0 0.0 5.32 317 237 A 19 CYS H A 20 ASN HBy 1.0 0.0 5.32 318 238 A 19 CYS HA A 20 ASN HBx 1.0 0.0 5.34 319 238 A 19 CYS HA A 20 ASN HBy 1.0 0.0 5.34 320 239 A 20 ASN H A 19 CYS HBy 1.0 0.0 3.55 321 239 A 20 ASN H A 19 CYS HBx 1.0 0.0 3.55 322 240 A 20 ASN H A 20 ASN HBx 1.0 0.0 3.14 323 240 A 20 ASN H A 20 ASN HBy 1.0 0.0 3.14 324 241 A 20 ASN HA A 23 HIS HBy 1.0 0.0 5.34 325 241 A 20 ASN HA A 23 HIS HBx 1.0 0.0 5.34 326 242 A 21 ARG H A 20 ASN HBx 1.0 0.0 4.10 327 242 A 21 ARG H A 20 ASN HBy 1.0 0.0 4.10 328 243 A 23 HIS H A 20 ASN HBx 1.0 0.0 5.34 329 243 A 23 HIS H A 20 ASN HBy 1.0 0.0 5.34 330 244 A 21 ARG H A 21 ARG HGy 1.0 0.0 4.44 331 244 A 21 ARG H A 21 ARG HGx 1.0 0.0 4.44 332 245 A 21 ARG HBx A 21 ARG HDy 1.0 0.0 3.72 333 245 A 21 ARG HBx A 21 ARG HDx 1.0 0.0 3.72 334 246 A 23 HIS H A 23 HIS HBy 1.0 0.0 3.43 335 246 A 23 HIS H A 23 HIS HBx 1.0 0.0 3.43 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 6 CYS C A 7 SER N A 7 SER CA A 7 SER C 1.0 -90.0 -40.0 PHI 2 2 A 19 CYS C A 20 ASN N A 20 ASN CA A 20 ASN C 1.0 -90.0 -40.0 PHI 3 3 A 21 ARG C A 22 GLU N A 22 GLU CA A 22 GLU C 1.0 -90.0 -40.0 PHI 4 4 A 22 GLU C A 23 HIS N A 23 HIS CA A 23 HIS C 1.0 -90.0 -40.0 PHI 5 5 A 24 GLY C A 25 HIS N A 25 HIS CA A 25 HIS C 1.0 -90.0 -40.0 PHI 6 6 A 1 SER C A 2 CYS N A 2 CYS CA A 2 CYS C 1.0 -160.0 -80.0 PHI 7 7 A 7 SER C A 8 GLY N A 8 GLY CA A 8 GLY C 1.0 -160.0 -80.0 PHI 8 8 A 23 HIS C A 24 GLY N A 24 GLY CA A 24 GLY C 1.0 -160.0 -80.0 PHI stop_ save_