data_nef_c19501_2mdq 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 2 CYS SG 1 8 CYS SG 1 3 CYS SG 1 16 CYS SG 1 16 CYS C 1 17 NH2 N 1 2 CYS SG 1 8 CYS SG 1 3 CYS SG 1 16 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 CYS middle -HG . 3 A 3 CYS middle -HG . 4 A 4 SER middle . . 5 A 5 HIS middle . . 6 A 6 PRO middle . false 7 A 7 ALA middle . . 8 A 8 CYS middle -HG . 9 A 9 ASN middle . . 10 A 10 VAL middle . . 11 A 11 ASP middle . . 12 A 12 HIS middle . . 13 A 13 PRO middle . false 14 A 14 GLU middle . . 15 A 15 ILE middle . . 16 A 16 CYS middle -HG . 17 A 17 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 1 GLY HA2 H 1 3.879 0.000 A 1 GLY HA3 H 1 3.958 0.000 A 1 GLY CA C 13 43.110 0.069 A 2 CYS H H 1 8.909 0.000 A 2 CYS HA H 1 4.656 0.000 A 2 CYS HB2 H 1 3.293 0.000 A 2 CYS HB3 H 1 2.763 0.000 A 2 CYS CA C 13 57.748 0.000 A 2 CYS CB C 13 41.793 0.009 A 3 CYS H H 1 8.704 0.000 A 3 CYS HA H 1 4.482 0.000 A 3 CYS HB2 H 1 3.345 0.000 A 3 CYS HB3 H 1 2.821 0.000 A 3 CYS CA C 13 55.749 0.000 A 3 CYS CB C 13 36.486 0.000 A 4 SER H H 1 7.916 0.000 A 4 SER HA H 1 4.375 0.000 A 4 SER HB2 H 1 3.830 0.000 A 4 SER HB3 H 1 3.830 0.000 A 4 SER CA C 13 58.952 0.000 A 4 SER CB C 13 62.726 0.000 A 5 HIS H H 1 8.131 0.000 A 5 HIS HA H 1 5.222 0.000 A 5 HIS HB2 H 1 3.376 0.000 A 5 HIS HB3 H 1 3.376 0.000 A 5 HIS CA C 13 52.322 0.000 A 5 HIS CB C 13 29.081 0.000 A 6 PRO HA H 1 4.295 0.000 A 6 PRO HB2 H 1 2.422 0.000 A 6 PRO HB3 H 1 2.422 0.000 A 6 PRO HD2 H 1 4.047 0.000 A 6 PRO HD3 H 1 3.945 0.000 A 6 PRO HG2 H 1 2.199 0.000 A 6 PRO HG3 H 1 2.026 0.000 A 6 PRO CA C 13 66.072 0.000 A 6 PRO CB C 13 32.134 0.000 A 6 PRO CD C 13 51.016 0.000 A 6 PRO CG C 13 27.289 0.023 A 7 ALA H H 1 8.460 0.000 A 7 ALA HA H 1 4.183 0.000 A 7 ALA HB% H 1 1.389 0.000 A 7 ALA CA C 13 54.158 0.000 A 7 ALA CB C 13 18.250 0.000 A 8 CYS H H 1 7.571 0.000 A 8 CYS HA H 1 4.600 0.000 A 8 CYS HB2 H 1 3.293 0.000 A 8 CYS HB3 H 1 3.293 0.000 A 8 CYS CA C 13 55.872 0.000 A 8 CYS CB C 13 41.086 0.000 A 9 ASN H H 1 8.578 0.000 A 9 ASN HA H 1 4.605 0.000 A 9 ASN HB2 H 1 2.991 0.000 A 9 ASN HB3 H 1 2.803 0.000 A 9 ASN CA C 13 53.627 0.000 A 9 ASN CB C 13 39.242 0.002 A 10 VAL H H 1 7.945 0.000 A 10 VAL HA H 1 3.905 0.000 A 10 VAL HB H 1 2.163 0.000 A 10 VAL HG1% H 1 1.016 0.000 A 10 VAL HG2% H 1 1.016 0.000 A 10 VAL CA C 13 64.195 0.000 A 10 VAL CB C 13 31.926 0.000 A 10 VAL CG2 C 13 20.910 0.000 A 11 ASP H H 1 7.565 0.000 A 11 ASP HA H 1 4.707 0.000 A 11 ASP HB2 H 1 2.830 0.000 A 11 ASP HB3 H 1 2.738 0.000 A 11 ASP CA C 13 52.954 0.000 A 11 ASP CB C 13 38.561 0.012 A 12 HIS H H 1 7.908 0.000 A 12 HIS HA H 1 5.195 0.000 A 12 HIS HB2 H 1 3.264 0.000 A 12 HIS HB3 H 1 3.073 0.000 A 12 HIS CA C 13 54.239 0.000 A 12 HIS CB C 13 28.650 0.000 A 13 PRO HA H 1 4.513 0.000 A 13 PRO HB2 H 1 2.004 0.000 A 13 PRO HB3 H 1 2.348 0.000 A 13 PRO HD2 H 1 3.615 0.000 A 13 PRO HD3 H 1 3.500 0.000 A 13 PRO HG2 H 1 2.080 0.000 A 13 PRO HG3 H 1 2.080 0.000 A 13 PRO CA C 13 64.665 0.000 A 13 PRO CB C 13 31.442 0.092 A 13 PRO CD C 13 50.280 0.034 A 13 PRO CG C 13 27.294 0.000 A 14 GLU H H 1 9.151 0.000 A 14 GLU HA H 1 4.343 0.000 A 14 GLU HB2 H 1 2.152 0.000 A 14 GLU HB3 H 1 2.080 0.000 A 14 GLU HG2 H 1 2.573 0.000 A 14 GLU HG3 H 1 2.432 0.000 A 14 GLU CA C 13 57.340 0.000 A 14 GLU CB C 13 27.903 0.011 A 14 GLU CG C 13 33.816 0.003 A 15 ILE H H 1 7.596 0.000 A 15 ILE HA H 1 4.301 0.000 A 15 ILE HB H 1 1.955 0.000 A 15 ILE HD1% H 1 0.811 0.000 A 15 ILE HG12 H 1 1.661 0.000 A 15 ILE HG13 H 1 1.192 0.000 A 15 ILE HG2% H 1 0.927 0.000 A 15 ILE CA C 13 61.870 0.000 A 15 ILE CB C 13 39.198 0.000 A 15 ILE CD1 C 13 12.534 0.000 A 15 ILE CG1 C 13 27.394 0.000 A 15 ILE CG2 C 13 17.667 0.000 A 16 CYS H H 1 8.207 0.000 A 16 CYS HA H 1 4.872 0.000 A 16 CYS HB2 H 1 2.757 0.000 A 16 CYS HB3 H 1 3.300 0.000 A 16 CYS CA C 13 53.566 0.000 A 16 CYS CB C 13 38.612 0.040 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 14 GLU H A 14 GLU HB2 1.0 1.8 3.36 2 2 A 14 GLU H A 14 GLU HB3 1.0 1.8 3.11 3 3 A 2 CYS H A 2 CYS HB3 1.0 2.1 3.32 4 4 A 2 CYS H A 2 CYS HB2 1.0 1.8 3.24 5 5 A 3 CYS H A 3 CYS HB2 1.0 1.8 2.77 6 6 A 3 CYS H A 3 CYS HB3 1.0 1.8 3.42 7 7 A 9 ASN H A 9 ASN HB2 1.0 1.8 2.71 8 8 A 9 ASN H A 9 ASN HB3 1.0 1.8 2.80 9 9 A 9 ASN H A 9 ASN HA 1.0 1.8 3.00 10 10 A 15 ILE H A 15 ILE HB 1.0 1.8 4.11 11 11 A 10 VAL H A 10 VAL HB 1.0 1.8 2.96 12 12 A 12 HIS H A 12 HIS HB2 1.0 1.8 3.27 13 13 A 12 HIS H A 12 HIS HB3 1.0 1.8 3.42 14 14 A 5 HIS H A 5 HIS HB2 1.0 1.8 4.02 15 14 A 5 HIS H A 5 HIS HB3 1.0 1.8 4.02 16 15 A 16 CYS H A 16 CYS HB3 1.0 1.8 3.61 17 16 A 16 CYS H A 16 CYS HB2 1.0 1.8 2.80 18 17 A 3 CYS H A 2 CYS HA 1.0 1.8 3.30 19 18 A 2 CYS HB3 A 3 CYS H 1.0 1.8 3.61 20 19 A 2 CYS HB2 A 3 CYS H 1.0 1.8 3.14 21 20 A 14 GLU H A 15 ILE H 1.0 1.8 3.45 22 21 A 16 CYS H A 15 ILE HA 1.0 1.8 3.42 23 22 A 15 ILE HB A 16 CYS H 1.0 1.8 3.14 24 23 A 14 GLU H A 13 PRO HA 1.0 1.8 3.30 25 24 A 14 GLU H A 13 PRO HB2 1.0 1.8 4.62 26 24 A 14 GLU H A 13 PRO HB3 1.0 1.8 4.62 27 25 A 14 GLU H A 12 HIS HA 1.0 1.8 5.13 28 26 A 15 ILE H A 16 CYS H 1.0 1.8 2.56 29 27 A 9 ASN HB3 A 10 VAL H 1.0 1.8 2.83 30 28 A 9 ASN HB2 A 10 VAL H 1.0 1.8 3.45 31 29 A 9 ASN HA A 10 VAL H 1.0 1.8 3.42 32 30 A 7 ALA H A 8 CYS H 1.0 1.8 3.17 33 31 A 9 ASN H A 8 CYS HB2 1.0 1.8 4.99 34 31 A 9 ASN H A 8 CYS HB3 1.0 1.8 4.99 35 32 A 9 ASN H A 8 CYS H 1.0 1.8 2.74 36 33 A 2 CYS H A 3 CYS H 1.0 1.8 3.76 37 34 A 12 HIS HB2 A 12 HIS HA 1.0 1.8 2.87 38 35 A 16 CYS HB2 A 16 CYS HA 1.0 1.8 2.80 39 36 A 3 CYS HA A 4 SER HB2 1.0 1.8 5.67 40 36 A 3 CYS HA A 4 SER HB3 1.0 1.8 5.67 41 37 A 14 GLU HB3 A 14 GLU HA 1.0 1.8 2.83 42 38 A 14 GLU HB2 A 14 GLU HA 1.0 1.8 2.99 43 39 A 2 CYS HB3 A 2 CYS HA 1.0 1.8 2.87 44 40 A 2 CYS HB2 A 2 CYS HA 1.0 1.8 2.71 45 41 A 3 CYS HB2 A 3 CYS HA 1.0 1.8 3.02 46 42 A 9 ASN HB3 A 9 ASN HA 1.0 1.8 2.87 47 43 A 10 VAL HB A 10 VAL HA 1.0 1.8 2.93 48 44 A 7 ALA H A 6 PRO HA 1.0 1.8 3.55 49 45 A 7 ALA H A 6 PRO HB2 1.0 1.8 4.40 50 45 A 7 ALA H A 6 PRO HB3 1.0 1.8 4.40 51 46 A 9 ASN HB3 A 6 PRO HA 1.0 1.8 3.42 52 47 A 9 ASN HB2 A 6 PRO HA 1.0 1.8 3.08 53 48 A 5 HIS HA A 6 PRO HB2 1.0 1.8 6.38 54 48 A 6 PRO HB3 A 5 HIS HA 1.0 1.8 6.38 55 49 A 7 ALA H A 5 HIS HB2 1.0 1.8 5.08 56 49 A 5 HIS HB3 A 7 ALA H 1.0 1.8 5.08 57 50 A 4 SER H A 4 SER HB2 1.0 1.8 4.18 58 50 A 4 SER HB3 A 4 SER H 1.0 1.8 4.18 59 51 A 5 HIS H A 3 CYS HA 1.0 1.8 4.20 60 52 A 5 HIS H A 4 SER HB2 1.0 1.8 5.86 61 52 A 5 HIS H A 4 SER HB3 1.0 1.8 5.86 62 53 A 3 CYS HA A 4 SER H 1.0 1.8 3.30 63 54 A 3 CYS HB2 A 4 SER H 1.0 1.8 3.24 64 55 A 3 CYS HB3 A 4 SER H 1.0 1.8 3.33 65 56 A 5 HIS H A 4 SER H 1.0 1.8 2.68 66 57 A 3 CYS H A 4 SER H 1.0 1.8 2.99 67 58 A 3 CYS H A 1 GLY HA2 1.0 1.8 5.54 68 58 A 3 CYS H A 1 GLY HA3 1.0 1.8 5.54 69 59 A 8 CYS H A 5 HIS HB2 1.0 1.8 4.64 70 59 A 5 HIS HB3 A 8 CYS H 1.0 1.8 4.64 71 60 A 10 VAL H A 7 ALA HA 1.0 1.8 4.35 72 61 A 5 HIS HA A 4 SER HA 1.0 1.8 5.41 73 62 A 2 CYS HA A 5 HIS HB2 1.0 1.8 5.17 74 62 A 5 HIS HB3 A 2 CYS HA 1.0 1.8 5.17 75 63 A 3 CYS HA A 5 HIS HB2 1.0 1.8 4.50 76 63 A 5 HIS HB3 A 3 CYS HA 1.0 1.8 4.50 77 64 A 12 HIS H A 11 ASP HA 1.0 1.8 3.14 78 65 A 11 ASP HA A 11 ASP HB3 1.0 1.8 2.96 79 66 A 11 ASP HA A 11 ASP HB2 1.0 1.8 2.90 80 67 A 14 GLU H A 14 GLU HG3 1.0 1.8 5.50 81 68 A 14 GLU H A 14 GLU HG2 1.0 1.8 5.50 82 69 A 16 CYS H A 15 ILE HG13 1.0 1.8 5.50 83 70 A 16 CYS H A 15 ILE HG12 1.0 1.8 5.50 84 71 A 7 ALA H A 6 PRO HG3 1.0 1.8 5.50 85 72 A 7 ALA H A 6 PRO HG2 1.0 1.8 5.50 86 73 A 5 HIS HA A 6 PRO HD2 1.0 1.8 2.83 87 74 A 5 HIS HA A 6 PRO HD3 1.0 1.8 2.83 88 75 A 12 HIS HA A 13 PRO HD2 1.0 1.8 3.52 89 76 A 12 HIS HA A 13 PRO HD3 1.0 1.8 3.52 90 77 A 15 ILE HB A 12 HIS HB2 1.0 1.8 4.07 91 78 A 15 ILE HB A 12 HIS HB3 1.0 1.8 5.50 92 79 A 5 HIS HA A 6 PRO HG2 1.0 1.8 5.50 93 80 A 9 ASN HB2 A 3 CYS HA 1.0 1.8 4.88 94 81 A 9 ASN HA A 12 HIS CD2 1.0 1.8 4.76 95 82 A 5 HIS CD2 A 4 SER HB2 1.0 1.8 6.38 96 82 A 4 SER HB3 A 5 HIS CD2 1.0 1.8 6.38 97 83 A 2 CYS HA A 5 HIS CD2 1.0 1.8 4.57 98 84 A 9 ASN HB3 A 3 CYS HA 1.0 1.8 4.85 99 85 A 5 HIS HA A 6 PRO HG3 1.0 1.8 5.50 100 86 A 11 ASP HA A 13 PRO HD3 1.0 1.8 5.50 101 87 A 11 ASP HA A 13 PRO HD2 1.0 1.8 5.50 102 88 A 7 ALA H A 7 ALA HB% 1.0 1.8 4.19 103 89 A 15 ILE H A 15 ILE HG2% 1.0 1.8 6.52 104 90 A 10 VAL H A 10 VAL HG1% 1.0 1.8 5.77 105 90 A 10 VAL H A 10 VAL HG2% 1.0 1.8 5.77 106 91 A 16 CYS H A 15 ILE HG2% 1.0 1.8 5.71 107 92 A 8 CYS H A 7 ALA HB% 1.0 1.8 5.34 108 93 A 7 ALA HB% A 8 CYS HA 1.0 1.8 6.52 109 94 A 6 PRO HA A 7 ALA HB% 1.0 1.8 6.52 110 95 A 15 ILE HA A 15 ILE HD1% 1.0 1.8 6.27 111 96 A 12 HIS HB2 A 15 ILE HD1% 1.0 1.8 5.44 112 97 A 12 HIS HB3 A 15 ILE HD1% 1.0 1.8 6.52 113 98 A 7 ALA HA A 10 VAL HG1% 1.0 1.8 7.17 114 98 A 7 ALA HA A 10 VAL HG2% 1.0 1.8 7.17 115 99 A 3 CYS HA A 9 ASN HD2y 1.0 1.8 5.34 116 99 A 3 CYS HA A 9 ASN HD2x 1.0 1.8 5.34 117 100 A 5 HIS HA A 6 PRO HD2 1.0 1.8 2.34 118 100 A 5 HIS HA A 6 PRO HD3 1.0 1.8 2.34 119 101 A 7 ALA H A 6 PRO HD2 1.0 1.8 4.45 120 101 A 7 ALA H A 6 PRO HD3 1.0 1.8 4.45 121 102 A 7 ALA HB% A 6 PRO HD2 1.0 1.8 6.29 122 102 A 7 ALA HB% A 6 PRO HD3 1.0 1.8 6.29 123 103 A 8 CYS HB3 A 9 ASN HD2y 1.0 1.8 5.35 124 103 A 9 ASN HD2x A 8 CYS HB2 1.0 1.8 5.35 125 103 A 8 CYS HB3 A 9 ASN HD2x 1.0 1.8 5.35 126 103 A 8 CYS HB2 A 9 ASN HD2y 1.0 1.8 5.35 127 104 A 9 ASN H A 9 ASN HD2y 1.0 1.8 5.34 128 104 A 9 ASN H A 9 ASN HD2x 1.0 1.8 5.34 129 105 A 9 ASN HA A 9 ASN HD2y 1.0 1.8 4.58 130 105 A 9 ASN HA A 9 ASN HD2x 1.0 1.8 4.58 131 106 A 9 ASN HB2 A 9 ASN HD2y 1.0 1.8 3.26 132 106 A 9 ASN HB2 A 9 ASN HD2x 1.0 1.8 3.26 133 107 A 12 HIS HA A 13 PRO HD2 1.0 1.8 2.70 134 107 A 12 HIS HA A 13 PRO HD3 1.0 1.8 2.70 135 108 A 12 HIS HB2 A 15 ILE HG13 1.0 1.8 4.23 136 108 A 12 HIS HB2 A 15 ILE HG12 1.0 1.8 4.23 137 109 A 12 HIS HB3 A 15 ILE HG13 1.0 1.8 4.23 138 109 A 12 HIS HB3 A 15 ILE HG12 1.0 1.8 4.23 139 110 A 14 GLU H A 13 PRO HG2 1.0 1.8 5.03 140 110 A 14 GLU H A 13 PRO HG3 1.0 1.8 5.03 141 111 A 14 GLU H A 13 PRO HD2 1.0 1.8 4.67 142 111 A 14 GLU H A 13 PRO HD3 1.0 1.8 4.67 143 112 A 15 ILE H A 15 ILE HG13 1.0 1.8 5.34 144 112 A 15 ILE H A 15 ILE HG12 1.0 1.8 5.34 stop_ save_