data_nef_c19476_2md6 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 3 CYS SG 1 9 CYS SG 1 4 CYS SG 1 17 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 GLU start . . 2 A 2 GLY middle . false 3 A 3 CYS middle -HG . 4 A 4 CYS middle -HG . 5 A 5 SER middle . . 6 A 6 ASN middle . . 7 A 7 PRO middle . false 8 A 8 ALA middle . . 9 A 9 CYS middle -HG . 10 A 10 ARG middle . . 11 A 11 THR middle . . 12 A 12 ASN middle . . 13 A 13 HIS middle . . 14 A 14 PRO middle . false 15 A 15 GLU middle . . 16 A 16 VAL middle . . 17 A 17 CYS middle -HG . 18 A 18 ASP 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 GLU HA H 1 4.090 0.020 A 1 GLU HB2 H 1 2.129 0.020 A 1 GLU HB3 H 1 2.129 0.020 A 1 GLU HG2 H 1 2.356 0.020 A 1 GLU HG3 H 1 2.356 0.020 A 1 GLU CA C 13 52.701 0.3 A 1 GLU CB C 13 27.332 0.3 A 1 GLU CG C 13 32.520 0.3 A 2 GLY H H 1 8.945 0.020 A 2 GLY HAy H 1 4.061 0.020 A 2 GLY HAx H 1 4.023 0.020 A 2 GLY CA C 13 42.241 0.3 A 3 CYS H H 1 8.910 0.020 A 3 CYS HA H 1 4.497 0.020 A 3 CYS HBy H 1 3.273 0.020 A 3 CYS HBx H 1 2.672 0.020 A 3 CYS CA C 13 55.630 0.3 A 3 CYS CB C 13 39.502 0.3 A 4 CYS H H 1 8.773 0.020 A 4 CYS HA H 1 4.430 0.020 A 4 CYS HBy H 1 3.351 0.020 A 4 CYS HBx H 1 2.844 0.020 A 4 CYS CA C 13 53.092 0.3 A 4 CYS CB C 13 33.220 0.3 A 5 SER H H 1 7.798 0.020 A 5 SER HA H 1 4.518 0.020 A 5 SER HB2 H 1 3.943 0.020 A 5 SER HB3 H 1 3.943 0.020 A 5 SER CA C 13 55.783 0.3 A 5 SER CB C 13 60.742 0.3 A 6 ASN H H 1 8.073 0.020 A 6 ASN HA H 1 5.295 0.020 A 6 ASN HBy H 1 3.209 0.020 A 6 ASN HBx H 1 2.807 0.020 A 6 ASN HD21 H 1 7.196 0.020 A 6 ASN HD22 H 1 8.018 0.020 A 6 ASN CA C 13 47.068 0.3 A 6 ASN CB C 13 37.928 0.3 A 7 PRO HA H 1 4.117 0.020 A 7 PRO HBy H 1 2.384 0.020 A 7 PRO HBx H 1 2.023 0.020 A 7 PRO HDy H 1 4.105 0.020 A 7 PRO HDx H 1 3.910 0.020 A 7 PRO HGy H 1 2.184 0.020 A 7 PRO HGx H 1 2.021 0.020 A 7 PRO CA C 13 63.092 0.3 A 7 PRO CB C 13 29.278 0.3 A 7 PRO CD C 13 47.922 0.3 A 7 PRO CG C 13 24.557 0.3 A 8 ALA H H 1 7.807 0.020 A 8 ALA HA H 1 4.149 0.020 A 8 ALA HB% H 1 1.418 0.020 A 8 ALA CA C 13 51.882 0.3 A 8 ALA CB C 13 15.213 0.3 A 9 CYS H H 1 8.114 0.020 A 9 CYS HA H 1 4.395 0.020 A 9 CYS HBy H 1 4.322 0.020 A 9 CYS HBx H 1 3.301 0.020 A 9 CYS CA C 13 58.098 0.3 A 9 CYS CB C 13 38.385 0.3 A 10 ARG H H 1 8.855 0.020 A 10 ARG HA H 1 3.997 0.020 A 10 ARG HBy H 1 2.025 0.020 A 10 ARG HBx H 1 1.903 0.020 A 10 ARG HD2 H 1 3.273 0.020 A 10 ARG HD3 H 1 3.273 0.020 A 10 ARG HE H 1 7.519 0.020 A 10 ARG HG2 H 1 1.621 0.020 A 10 ARG HG3 H 1 1.621 0.020 A 10 ARG HH11 H 1 7.159 0.020 A 10 ARG HH12 H 1 7.537 0.020 A 10 ARG HH21 H 1 6.639 0.020 A 10 ARG HH22 H 1 6.969 0.020 A 10 ARG CA C 13 56.816 0.3 A 10 ARG CB C 13 27.550 0.3 A 10 ARG CD C 13 40.627 0.3 A 10 ARG CG C 13 24.576 0.3 A 11 THR H H 1 7.934 0.020 A 11 THR HA H 1 3.891 0.020 A 11 THR HB H 1 4.190 0.020 A 11 THR HG2% H 1 1.226 0.020 A 11 THR CA C 13 62.717 0.3 A 11 THR CB C 13 66.074 0.3 A 11 THR CG2 C 13 18.529 0.3 A 12 ASN H H 1 7.538 0.020 A 12 ASN HA H 1 4.604 0.020 A 12 ASN HBy H 1 2.765 0.020 A 12 ASN HBx H 1 2.528 0.020 A 12 ASN HD21 H 1 6.962 0.020 A 12 ASN HD22 H 1 7.605 0.020 A 12 ASN CA C 13 51.025 0.3 A 12 ASN CB C 13 36.578 0.3 A 13 HIS H H 1 7.818 0.020 A 13 HIS HA H 1 5.464 0.020 A 13 HIS HBy H 1 3.205 0.020 A 13 HIS HBx H 1 3.053 0.020 A 13 HIS HD2 H 1 7.591 0.020 A 13 HIS HE1 H 1 8.621 0.020 A 13 HIS CA C 13 51.184 0.3 A 13 HIS CB C 13 25.713 0.3 A 13 HIS CD2 C 13 117.813 0.3 A 13 HIS CE1 C 13 133.447 0.3 A 14 PRO HA H 1 4.408 0.020 A 14 PRO HBy H 1 2.354 0.020 A 14 PRO HBx H 1 2.063 0.020 A 14 PRO HDy H 1 3.635 0.020 A 14 PRO HDx H 1 3.466 0.020 A 14 PRO HG2 H 1 2.080 0.020 A 14 PRO HG3 H 1 2.080 0.020 A 14 PRO CA C 13 62.315 0.3 A 14 PRO CB C 13 28.367 0.3 A 14 PRO CD C 13 47.376 0.3 A 14 PRO CG C 13 24.309 0.3 A 15 GLU H H 1 9.729 0.020 A 15 GLU HA H 1 4.323 0.020 A 15 GLU HBy H 1 2.178 0.020 A 15 GLU HBx H 1 2.090 0.020 A 15 GLU HGy H 1 2.578 0.020 A 15 GLU HGx H 1 2.281 0.020 A 15 GLU CA C 13 55.504 0.3 A 15 GLU CB C 13 24.356 0.3 A 15 GLU CG C 13 32.731 0.3 A 16 VAL H H 1 7.514 0.020 A 16 VAL HA H 1 4.234 0.020 A 16 VAL HB H 1 2.279 0.020 A 16 VAL HGx% H 1 0.939 0.020 A 16 VAL HGy% H 1 1.031 0.020 A 16 VAL CA C 13 60.416 0.3 A 16 VAL CB C 13 30.066 0.3 A 16 VAL CG1 C 13 18.795 0.3 A 16 VAL CG2 C 13 18.404 0.3 A 17 CYS H H 1 7.823 0.020 A 17 CYS HA H 1 4.933 0.020 A 17 CYS HBy H 1 3.236 0.020 A 17 CYS HBx H 1 2.653 0.020 A 17 CYS CA C 13 51.785 0.3 A 17 CYS CB C 13 36.608 0.3 A 18 ASP H H 1 8.532 0.020 A 18 ASP HA H 1 4.660 0.020 A 18 ASP HBy H 1 2.716 0.020 A 18 ASP HBx H 1 2.711 0.020 A 18 ASP CA C 13 51.802 0.3 A 18 ASP CB C 13 38.270 0.3 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 1 GLU HA A 1 GLU HB2 1.0 2.6 4.0 2 1 A 1 GLU HA A 1 GLU HB3 1.0 2.6 4.0 3 2 A 3 CYS HA A 3 CYS HBy 1.0 2.6 3.8 4 2 A 3 CYS HA A 3 CYS HBx 1.0 2.6 3.8 5 3 A 3 CYS HA A 3 CYS HBy 1.0 2.4 3.6 6 3 A 3 CYS HA A 3 CYS HBx 1.0 2.4 3.6 7 4 A 4 CYS HA A 4 CYS HBy 1.0 2.6 4.0 8 4 A 4 CYS HA A 4 CYS HBx 1.0 2.6 4.0 9 5 A 4 CYS HA A 4 CYS HBy 1.0 2.6 3.8 10 5 A 4 CYS HA A 4 CYS HBx 1.0 2.6 3.8 11 6 A 5 SER HA A 5 SER HB2 1.0 2.3 3.5 12 6 A 5 SER HA A 5 SER HB3 1.0 2.3 3.5 13 7 A 6 ASN HA A 6 ASN HBy 1.0 2.6 3.8 14 7 A 6 ASN HA A 6 ASN HBx 1.0 2.6 3.8 15 8 A 6 ASN HA A 6 ASN HBy 1.0 2.8 4.2 16 8 A 6 ASN HA A 6 ASN HBx 1.0 2.8 4.2 17 9 A 9 CYS HA A 9 CYS HBy 1.0 2.3 3.5 18 9 A 9 CYS HA A 9 CYS HBx 1.0 2.3 3.5 19 10 A 10 ARG HA A 10 ARG HBy 1.0 2.6 4.0 20 10 A 10 ARG HA A 10 ARG HBx 1.0 2.6 4.0 21 11 A 10 ARG HA A 10 ARG HBy 1.0 2.9 4.3 22 11 A 10 ARG HA A 10 ARG HBx 1.0 2.9 4.3 23 12 A 12 ASN HA A 12 ASN HBy 1.0 2.4 3.6 24 12 A 12 ASN HA A 12 ASN HBx 1.0 2.4 3.6 25 13 A 12 ASN HA A 12 ASN HBy 1.0 2.7 4.1 26 13 A 12 ASN HA A 12 ASN HBx 1.0 2.7 4.1 27 14 A 13 HIS HA A 13 HIS HBy 1.0 2.6 4.0 28 14 A 13 HIS HA A 13 HIS HBx 1.0 2.6 4.0 29 15 A 13 HIS HA A 13 HIS HBy 1.0 2.4 3.6 30 15 A 13 HIS HA A 13 HIS HBx 1.0 2.4 3.6 31 16 A 15 GLU HA A 15 GLU HBy 1.0 2.2 3.4 32 16 A 15 GLU HA A 15 GLU HBx 1.0 2.2 3.4 33 17 A 15 GLU HA A 15 GLU HBy 1.0 2.3 3.5 34 17 A 15 GLU HA A 15 GLU HBx 1.0 2.3 3.5 35 18 A 16 VAL HA A 16 VAL HB 1.0 2.6 3.8 36 19 A 17 CYS HA A 17 CYS HBy 1.0 2.6 4.0 37 19 A 17 CYS HA A 17 CYS HBx 1.0 2.6 4.0 38 20 A 17 CYS HA A 17 CYS HBy 1.0 2.7 4.1 39 20 A 17 CYS HA A 17 CYS HBx 1.0 2.7 4.1 40 21 A 18 ASP HA A 18 ASP HBy 1.0 2.7 4.1 41 21 A 18 ASP HA A 18 ASP HBx 1.0 2.7 4.1 42 22 A 18 ASP HA A 18 ASP HBy 1.0 2.8 4.2 43 22 A 18 ASP HA A 18 ASP HBx 1.0 2.8 4.2 44 23 A 13 HIS HA A 13 HIS HD2 1.0 3.0 4.6 45 24 A 13 HIS HD2 A 13 HIS HBy 1.0 1.8 3.6 46 24 A 13 HIS HBx A 13 HIS HD2 1.0 1.8 3.6 47 25 A 13 HIS HD2 A 13 HIS HBy 1.0 1.8 3.8 48 25 A 13 HIS HBx A 13 HIS HD2 1.0 1.8 3.8 49 26 A 13 HIS HA A 13 HIS HE1 1.0 4.0 6.0 50 27 A 6 ASN HA A 7 PRO HGy 1.0 3.4 5.2 51 27 A 6 ASN HA A 7 PRO HGx 1.0 3.4 5.2 52 28 A 6 ASN HA A 7 PRO HDy 1.0 2.2 3.2 53 28 A 6 ASN HA A 7 PRO HDx 1.0 2.2 3.2 54 29 A 6 ASN HA A 7 PRO HDy 1.0 2.3 3.5 55 29 A 6 ASN HA A 7 PRO HDx 1.0 2.3 3.5 56 30 A 6 ASN HBx A 7 PRO HDy 1.0 3.6 5.4 57 30 A 6 ASN HBy A 7 PRO HDy 1.0 3.6 5.4 58 30 A 7 PRO HDx A 6 ASN HBy 1.0 3.6 5.4 59 30 A 6 ASN HBx A 7 PRO HDx 1.0 3.6 5.4 60 31 A 6 ASN HBx A 7 PRO HDy 1.0 3.5 5.3 61 31 A 6 ASN HBy A 7 PRO HDy 1.0 3.5 5.3 62 31 A 7 PRO HDx A 6 ASN HBy 1.0 3.5 5.3 63 31 A 6 ASN HBx A 7 PRO HDx 1.0 3.5 5.3 64 32 A 11 THR HA A 10 ARG HG2 1.0 3.7 5.5 65 32 A 11 THR HA A 10 ARG HG3 1.0 3.7 5.5 66 33 A 13 HIS HD2 A 12 ASN HBy 1.0 2.6 4.0 67 33 A 12 ASN HBx A 13 HIS HD2 1.0 2.6 4.0 68 34 A 13 HIS HE1 A 14 PRO HA 1.0 3.6 5.4 69 35 A 13 HIS HA A 14 PRO HDy 1.0 2.6 3.8 70 35 A 13 HIS HA A 14 PRO HDx 1.0 2.6 3.8 71 36 A 13 HIS HA A 14 PRO HDy 1.0 2.2 3.4 72 36 A 13 HIS HA A 14 PRO HDx 1.0 2.2 3.4 73 37 A 13 HIS HBy A 14 PRO HDy 1.0 3.8 5.6 74 37 A 13 HIS HBx A 14 PRO HDy 1.0 3.8 5.6 75 37 A 14 PRO HDx A 13 HIS HBy 1.0 3.8 5.6 76 37 A 13 HIS HBx A 14 PRO HDx 1.0 3.8 5.6 77 38 A 16 VAL HB A 13 HIS HBy 1.0 3.3 4.9 78 38 A 13 HIS HBx A 16 VAL HB 1.0 3.3 4.9 79 39 A 16 VAL HB A 13 HIS HBy 1.0 2.9 5.4 80 39 A 13 HIS HBx A 16 VAL HB 1.0 2.9 5.4 81 40 A 13 HIS HA A 15 GLU HBy 1.0 3.4 5.0 82 40 A 13 HIS HA A 15 GLU HBx 1.0 3.4 5.0 83 41 A 10 ARG HA A 13 HIS HBy 1.0 3.5 5.3 84 41 A 10 ARG HA A 13 HIS HBx 1.0 3.5 5.3 85 42 A 9 CYS HA A 12 ASN HBy 1.0 3.0 4.6 86 42 A 9 CYS HA A 12 ASN HBx 1.0 3.0 4.6 87 43 A 7 PRO HA A 10 ARG HBy 1.0 2.8 4.2 88 43 A 10 ARG HBx A 7 PRO HA 1.0 2.8 4.2 89 44 A 9 CYS HA A 12 ASN HBy 1.0 3.0 4.6 90 44 A 9 CYS HA A 12 ASN HBx 1.0 3.0 4.6 91 45 A 6 ASN HBx A 9 CYS HBy 1.0 3.1 4.7 92 45 A 6 ASN HBy A 9 CYS HBy 1.0 3.1 4.7 93 45 A 9 CYS HBx A 6 ASN HBy 1.0 3.1 4.7 94 45 A 6 ASN HBx A 9 CYS HBx 1.0 3.1 4.7 95 46 A 16 VAL HB A 13 HIS HD2 1.0 3.6 5.4 96 47 A 12 ASN HA A 14 PRO HDy 1.0 3.4 5.2 97 47 A 12 ASN HA A 14 PRO HDx 1.0 3.4 5.2 98 48 A 12 ASN HA A 14 PRO HDy 1.0 3.4 5.2 99 48 A 12 ASN HA A 14 PRO HDx 1.0 3.4 5.2 100 49 A 7 PRO HA A 10 ARG HG2 1.0 3.5 5.3 101 49 A 7 PRO HA A 10 ARG HG3 1.0 3.5 5.3 102 50 A 14 PRO HA A 3 CYS HBy 1.0 3.0 5.3 103 50 A 3 CYS HBx A 14 PRO HA 1.0 3.0 5.3 104 51 A 3 CYS HA A 17 CYS HBy 1.0 3.2 4.8 105 51 A 3 CYS HA A 17 CYS HBx 1.0 3.2 4.8 106 52 A 4 CYS HA A 10 ARG HA 1.0 2.9 4.3 107 53 A 4 CYS HA A 10 ARG HBy 1.0 3.0 4.6 108 53 A 4 CYS HA A 10 ARG HBx 1.0 3.0 4.6 109 54 A 4 CYS HA A 10 ARG HBy 1.0 2.7 4.1 110 54 A 4 CYS HA A 10 ARG HBx 1.0 2.7 4.1 111 55 A 4 CYS HA A 10 ARG HG2 1.0 1.8 4.7 112 55 A 4 CYS HA A 10 ARG HG3 1.0 1.8 4.7 113 56 A 17 CYS HA A 4 CYS HBy 1.0 3.1 5.5 114 56 A 17 CYS HA A 4 CYS HBx 1.0 3.1 5.5 115 57 A 17 CYS HA A 4 CYS HBy 1.0 2.9 5.3 116 57 A 17 CYS HA A 4 CYS HBx 1.0 2.9 5.3 117 58 A 10 ARG HA A 17 CYS HBy 1.0 3.3 4.9 118 58 A 10 ARG HA A 17 CYS HBx 1.0 3.3 4.9 119 59 A 10 ARG HG3 A 17 CYS HBy 1.0 3.1 4.7 120 59 A 10 ARG HG2 A 17 CYS HBy 1.0 3.1 4.7 121 59 A 17 CYS HBx A 10 ARG HG2 1.0 3.1 4.7 122 59 A 17 CYS HBx A 10 ARG HG3 1.0 3.1 4.7 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 1 GLU C A 2 GLY N A 2 GLY CA A 2 GLY C 1.0 -120.0 0.0 PHI 2 2 A 2 GLY C A 3 CYS N A 3 CYS CA A 3 CYS C 1.0 -120.0 0.0 PHI 3 3 A 3 CYS C A 4 CYS N A 4 CYS CA A 4 CYS C 1.0 -120.0 0.0 PHI 4 4 A 5 SER C A 6 ASN N A 6 ASN CA A 6 ASN C 1.0 -180.0 -60.0 PHI 5 5 A 8 ALA C A 9 CYS N A 9 CYS CA A 9 CYS C 1.0 -120.0 0.0 PHI 6 6 A 9 CYS C A 10 ARG N A 10 ARG CA A 10 ARG C 1.0 -120.0 0.0 PHI 7 7 A 10 ARG C A 11 THR N A 11 THR CA A 11 THR C 1.0 -120.0 0.0 PHI 8 8 A 14 PRO C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -120.0 0.0 PHI 9 9 A 6 ASN CA A 6 ASN C A 7 PRO N A 7 PRO CA 1.0 120.0 240.0 OMEGA 10 10 A 13 HIS CA A 13 HIS C A 14 PRO N A 14 PRO CA 1.0 120.0 240.0 OMEGA stop_ save_