data_nef_c30562_6nox 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6NOX 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 3 CYS SG 1 11 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 cyclic . false 2 A 2 PHE middle . . 3 A 3 CYS middle -HG . 4 A 4 HIS middle . . 5 A 5 ARG middle . . 6 A 6 SER middle . . 7 A 7 TYR middle . . 8 A 8 PRO middle . true 9 A 9 PRO middle . false 10 A 10 GLU middle . . 11 A 11 CYS middle -HG . 12 A 12 TRP middle . . 13 A 13 PRO middle . false 14 A 14 ASN cyclic . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 H1 H 1 8.378 0.003 A 1 GLY HAy H 1 4.212 0.008 A 1 GLY HAx H 1 3.833 0.011 A 1 GLY CA C 13 42.343 0.015 A 1 GLY N N 15 108.126 0.000 A 2 PHE H H 1 7.979 0.003 A 2 PHE HA H 1 4.642 0.003 A 2 PHE HBx H 1 3.145 0.012 A 2 PHE HBy H 1 3.145 0.012 A 2 PHE HDx H 1 7.100 0.004 A 2 PHE HDy H 1 7.100 0.004 A 2 PHE HEx H 1 6.959 0.003 A 2 PHE HEy H 1 6.959 0.003 A 2 PHE HZ H 1 7.208 0.000 A 2 PHE CA C 13 55.386 0.000 A 2 PHE CB C 13 36.986 0.000 A 2 PHE N N 15 121.450 0.000 A 3 CYS H H 1 8.143 0.003 A 3 CYS HA H 1 5.226 0.019 A 3 CYS HBx H 1 2.820 0.004 A 3 CYS HBy H 1 2.897 0.003 A 3 CYS CA C 13 53.226 0.000 A 3 CYS CB C 13 44.043 0.000 A 3 CYS N N 15 122.328 0.000 A 4 HIS H H 1 8.840 0.001 A 4 HIS HA H 1 4.685 0.005 A 4 HIS HBx H 1 3.337 0.005 A 4 HIS HBy H 1 3.337 0.005 A 4 HIS CA C 13 52.118 0.000 A 4 HIS CB C 13 27.118 0.000 A 4 HIS N N 15 120.664 0.000 A 5 ARG H H 1 8.574 0.001 A 5 ARG HA H 1 4.301 0.011 A 5 ARG HBx H 1 1.711 0.006 A 5 ARG HBy H 1 1.897 0.003 A 5 ARG HDx H 1 3.172 0.003 A 5 ARG HDy H 1 3.172 0.003 A 5 ARG HE H 1 7.175 0.003 A 5 ARG HGx H 1 1.544 0.005 A 5 ARG HGy H 1 1.647 0.006 A 5 ARG CA C 13 54.050 0.000 A 5 ARG CB C 13 27.417 0.021 A 5 ARG CD C 13 40.636 0.000 A 5 ARG CG C 13 24.730 0.010 A 5 ARG N N 15 123.683 0.000 A 5 ARG NE N 15 124.717 0.000 A 6 SER H H 1 7.565 0.003 A 6 SER HA H 1 4.362 0.006 A 6 SER HBx H 1 3.756 0.002 A 6 SER HBy H 1 3.875 0.003 A 6 SER CA C 13 55.265 0.000 A 6 SER CB C 13 61.514 0.024 A 6 SER N N 15 115.194 0.000 A 7 TYR H H 1 8.277 0.002 A 7 TYR HA H 1 4.448 0.014 A 7 TYR HBx H 1 2.940 0.002 A 7 TYR HBy H 1 2.995 0.003 A 7 TYR HDx H 1 7.178 0.001 A 7 TYR HDy H 1 7.178 0.001 A 7 TYR HEx H 1 6.904 0.002 A 7 TYR HEy H 1 6.904 0.002 A 7 TYR CA C 13 53.776 0.000 A 7 TYR CB C 13 37.289 0.054 A 7 TYR N N 15 119.853 0.000 A 8 PRO HA H 1 4.108 0.001 A 8 PRO HBx H 1 1.874 0.006 A 8 PRO HBy H 1 1.921 0.002 A 8 PRO HDx H 1 3.428 0.013 A 8 PRO HDy H 1 3.461 0.009 A 8 PRO HGx H 1 1.717 0.004 A 8 PRO HGy H 1 1.868 0.006 A 8 PRO CA C 13 58.606 0.000 A 8 PRO CB C 13 29.894 0.000 A 8 PRO CD C 13 47.483 0.005 A 8 PRO CG C 13 22.139 0.015 A 9 PRO HA H 1 4.525 0.003 A 9 PRO HBx H 1 1.937 0.005 A 9 PRO HBy H 1 2.177 0.005 A 9 PRO HDx H 1 3.600 0.010 A 9 PRO HDy H 1 3.630 0.004 A 9 PRO HGx H 1 2.076 0.011 A 9 PRO HGy H 1 2.186 0.016 A 9 PRO CA C 13 60.953 0.000 A 9 PRO CB C 13 29.257 0.071 A 9 PRO CD C 13 47.888 0.006 A 9 PRO CG C 13 25.005 0.007 A 10 GLU H H 1 8.026 0.002 A 10 GLU HA H 1 4.346 0.004 A 10 GLU HBx H 1 1.789 0.004 A 10 GLU HBy H 1 1.789 0.003 A 10 GLU HGx H 1 1.903 0.009 A 10 GLU HGy H 1 2.123 0.006 A 10 GLU CA C 13 52.754 0.000 A 10 GLU CB C 13 28.105 0.000 A 10 GLU CG C 13 31.459 0.030 A 10 GLU N N 15 121.665 0.000 A 11 CYS H H 1 8.510 0.002 A 11 CYS HA H 1 5.262 0.008 A 11 CYS HBx H 1 2.950 0.009 A 11 CYS HBy H 1 2.950 0.009 A 11 CYS CA C 13 53.334 0.000 A 11 CYS CB C 13 44.185 0.000 A 11 CYS N N 15 121.596 0.000 A 12 TRP H H 1 8.937 0.004 A 12 TRP HA H 1 5.034 0.003 A 12 TRP HBx H 1 3.499 0.002 A 12 TRP HBy H 1 3.499 0.002 A 12 TRP HD1 H 1 7.343 0.001 A 12 TRP HE1 H 1 10.183 0.004 A 12 TRP HE3 H 1 7.841 0.005 A 12 TRP HH2 H 1 7.107 0.002 A 12 TRP HZ2 H 1 7.433 0.000 A 12 TRP HZ3 H 1 6.957 0.001 A 12 TRP CA C 13 53.648 0.000 A 12 TRP CB C 13 27.407 0.000 A 12 TRP N N 15 124.764 0.000 A 12 TRP NE1 N 15 129.139 0.000 A 13 PRO HA H 1 4.444 0.003 A 13 PRO HBx H 1 2.038 0.008 A 13 PRO HBy H 1 2.459 0.006 A 13 PRO HDx H 1 4.021 0.008 A 13 PRO HDy H 1 4.023 0.008 A 13 PRO HGx H 1 2.096 0.007 A 13 PRO HGy H 1 2.199 0.005 A 13 PRO CA C 13 62.532 0.000 A 13 PRO CB C 13 29.111 0.064 A 13 PRO CD C 13 48.729 0.000 A 13 PRO CG C 13 25.005 0.007 A 14 ASN H H 1 7.995 0.003 A 14 ASN HA H 1 4.607 0.005 A 14 ASN HBx H 1 2.946 0.012 A 14 ASN HBy H 1 3.200 0.018 A 14 ASN HD2y H 1 7.475 0.005 A 14 ASN HD2x H 1 6.662 0.006 A 14 ASN CA C 13 50.470 0.000 A 14 ASN CB C 13 34.701 0.012 A 14 ASN N N 15 114.090 0.000 A 14 ASN ND2 N 15 109.715 0.022 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 undefined 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 2 PHE H A 2 PHE . 1.0 1.8 3.98 2 2 A 2 PHE HA A 3 CYS . 1.0 1.8 3.05 3 3 A 3 CYS HA A 4 HIS . 1.0 1.8 3.05 4 4 A 4 HIS . A 4 HIS H 1.0 1.8 4.17 5 5 A 4 HIS . A 4 HIS H 1.0 1.8 4.17 6 6 A 4 HIS HA A 5 ARG H 1.0 1.8 3.44 7 7 A 6 SER HA A 7 TYR H 1.0 1.8 3.45 8 8 A 7 TYR H A 7 TYR HBy 1.0 1.8 3.76 9 9 A 7 TYR H A 7 TYR HBx 1.0 1.8 3.76 10 10 A 7 TYR HA A 8 PRO HA 1.0 1.8 3.25 11 11 A 8 PRO HA A 9 PRO HDx 1.0 1.8 3.42 12 12 A 8 PRO HA A 9 PRO HDy 1.0 1.8 3.42 13 13 A 9 PRO HA A 10 GLU H 1.0 1.8 3.08 14 14 A 10 GLU HA A 11 CYS H 1.0 1.8 3.03 15 15 A 11 CYS H A 11 CYS HBx 1.0 1.8 4.14 16 16 A 11 CYS H A 11 CYS HBy 1.0 1.8 4.14 17 17 A 11 CYS HA A 12 TRP H 1.0 1.8 3.05 18 18 A 14 ASN H A 14 ASN HBx 1.0 1.8 4.18 19 19 A 14 ASN H A 14 ASN HBy 1.0 1.8 4.18 20 20 A 12 TRP H A 11 CYS HBx 1.0 1.8 4.99 21 21 A 12 TRP H A 11 CYS HBy 1.0 1.8 4.99 22 22 A 3 CYS . A 4 HIS H 1.0 1.8 4.72 23 23 A 8 PRO HA A 7 TYR HD% 1.0 1.8 4.10 24 24 A 7 TYR HA A 7 TYR HD% 1.0 1.8 3.81 25 25 A 8 PRO HA A 7 TYR HE% 1.0 1.8 4.95 26 26 A 4 HIS H A 10 GLU H 1.0 1.8 4.95 27 27 A 5 ARG H A 6 SER H 1.0 1.8 4.18 28 28 A 7 TYR H A 6 SER H 1.0 1.8 4.76 29 29 A 12 TRP H A 12 TRP HE3 1.0 1.8 4.26 30 30 A 11 CYS HA A 12 TRP HE3 1.0 1.8 4.32 31 31 A 12 TRP H A 14 ASN H 1.0 1.8 4.78 32 32 A 7 TYR H A 7 TYR HD% 1.0 1.8 4.87 33 33 A 4 HIS H A 12 TRP HZ3 1.0 1.8 5.50 34 34 A 2 PHE HA A 2 PHE HD% 1.0 1.8 4.31 35 35 A 10 GLU H A 11 CYS H 1.0 1.8 4.93 36 36 A 12 TRP HA A 12 TRP HD1 1.0 1.8 4.57 37 37 A 11 CYS H A 10 GLU HBx 1.0 1.8 5.30 38 38 A 11 CYS H A 10 GLU HBy 1.0 1.8 5.30 39 39 A 3 CYS . A 4 HIS H 1.0 1.8 4.72 40 40 A 7 TYR HA A 9 PRO HDx 1.0 1.8 4.05 41 41 A 7 TYR HA A 9 PRO HDy 1.0 1.8 4.05 42 42 A 2 PHE H A 2 PHE HBx 1.0 1.8 3.45 43 42 A 2 PHE H A 2 PHE HBy 1.0 1.8 3.45 44 43 A 2 PHE HD% A 4 HIS HBy 1.0 1.8 5.34 45 43 A 2 PHE HD% A 4 HIS HBx 1.0 1.8 5.34 46 44 A 3 CYS H A 3 CYS HBy 1.0 1.8 3.45 47 44 A 3 CYS H A 3 CYS HBx 1.0 1.8 3.45 48 45 A 4 HIS H A 3 CYS HBy 1.0 1.8 3.85 49 45 A 4 HIS H A 3 CYS HBx 1.0 1.8 3.85 50 46 A 11 CYS HA A 3 CYS HBy 1.0 1.8 4.11 51 46 A 11 CYS HA A 3 CYS HBx 1.0 1.8 4.11 52 47 A 4 HIS H A 4 HIS HBy 1.0 1.8 3.45 53 47 A 4 HIS H A 4 HIS HBx 1.0 1.8 3.45 54 48 A 12 TRP HZ3 A 4 HIS HBy 1.0 1.8 5.02 55 48 A 12 TRP HZ3 A 4 HIS HBx 1.0 1.8 5.02 56 49 A 12 TRP HH2 A 4 HIS HBy 1.0 1.8 5.34 57 49 A 4 HIS HBx A 12 TRP HH2 1.0 1.8 5.34 58 50 A 5 ARG H A 5 ARG HBx 1.0 1.8 3.60 59 50 A 5 ARG H A 5 ARG HBy 1.0 1.8 3.60 60 51 A 5 ARG HE A 5 ARG HBx 1.0 1.8 4.86 61 51 A 5 ARG HBy A 5 ARG HE 1.0 1.8 4.86 62 52 A 7 TYR H A 6 SER HBx 1.0 1.8 3.60 63 52 A 7 TYR H A 6 SER HBy 1.0 1.8 3.60 64 53 A 7 TYR HA A 9 PRO HDx 1.0 1.8 3.54 65 53 A 7 TYR HA A 9 PRO HDy 1.0 1.8 3.54 66 54 A 7 TYR HD% A 8 PRO HDx 1.0 1.8 4.79 67 54 A 7 TYR HD% A 8 PRO HDy 1.0 1.8 4.79 68 55 A 7 TYR HD% A 9 PRO HDx 1.0 1.8 3.87 69 55 A 7 TYR HD% A 9 PRO HDy 1.0 1.8 3.87 70 56 A 7 TYR HE% A 9 PRO HDx 1.0 1.8 5.24 71 56 A 7 TYR HE% A 9 PRO HDy 1.0 1.8 5.24 72 57 A 8 PRO HA A 9 PRO HDx 1.0 1.8 2.99 73 57 A 8 PRO HA A 9 PRO HDy 1.0 1.8 2.99 74 58 A 8 PRO HBx A 9 PRO HDx 1.0 1.8 3.44 75 58 A 8 PRO HBy A 9 PRO HDx 1.0 1.8 3.44 76 58 A 9 PRO HDy A 8 PRO HBx 1.0 1.8 3.44 77 58 A 9 PRO HDy A 8 PRO HBy 1.0 1.8 3.44 78 59 A 10 GLU H A 8 PRO HBx 1.0 1.8 5.34 79 59 A 10 GLU H A 8 PRO HBy 1.0 1.8 5.34 80 60 A 10 GLU HA A 10 GLU HGx 1.0 1.8 3.72 81 60 A 10 GLU HA A 10 GLU HGy 1.0 1.8 3.72 82 61 A 11 CYS H A 11 CYS HBy 1.0 1.8 3.53 83 61 A 11 CYS H A 11 CYS HBx 1.0 1.8 3.53 84 62 A 12 TRP H A 11 CYS HBy 1.0 1.8 4.34 85 62 A 12 TRP H A 11 CYS HBx 1.0 1.8 4.34 86 63 A 12 TRP H A 12 TRP HBx 1.0 1.8 3.21 87 63 A 12 TRP H A 12 TRP HBy 1.0 1.8 3.21 88 64 A 12 TRP HE3 A 12 TRP HBx 1.0 1.8 3.68 89 64 A 12 TRP HE3 A 12 TRP HBy 1.0 1.8 3.68 90 65 A 12 TRP HBy A 13 PRO HDx 1.0 1.8 3.20 91 65 A 13 PRO HDy A 12 TRP HBx 1.0 1.8 3.20 92 65 A 12 TRP HBy A 13 PRO HDy 1.0 1.8 3.20 93 65 A 12 TRP HBx A 13 PRO HDx 1.0 1.8 3.20 94 66 A 14 ASN H A 12 TRP HBx 1.0 1.8 3.61 95 66 A 14 ASN H A 12 TRP HBy 1.0 1.8 3.61 96 67 A 12 TRP HD1 A 13 PRO HDx 1.0 1.8 4.43 97 67 A 12 TRP HD1 A 13 PRO HDy 1.0 1.8 4.43 98 68 A 14 ASN H A 13 PRO HBx 1.0 1.8 4.09 99 68 A 14 ASN H A 13 PRO HBy 1.0 1.8 4.09 100 69 A 14 ASN H A 13 PRO HDx 1.0 1.8 4.35 101 69 A 14 ASN H A 13 PRO HDy 1.0 1.8 4.35 102 70 A 14 ASN H A 14 ASN HBy 1.0 1.8 3.54 103 70 A 14 ASN H A 14 ASN HBx 1.0 1.8 3.54 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _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 2 PHE C A 3 CYS N A 3 CYS CA A 3 CYS C 1.0 -137.2 -97.2 PHI 2 2 A 3 CYS N A 3 CYS CA A 3 CYS C A 4 HIS N 1.0 113.9 163.5 PSI 3 3 A 3 CYS C A 4 HIS N A 4 HIS CA A 4 HIS C 1.0 -124.2 -67.8 PHI 4 4 A 4 HIS N A 4 HIS CA A 4 HIS C A 5 ARG N 1.0 84.4 153.6 PSI 5 5 A 5 ARG C A 6 SER N A 6 SER CA A 6 SER C 1.0 -145.1 -56.7 PHI 6 6 A 6 SER N A 6 SER CA A 6 SER C A 7 TYR N 1.0 74.6 213.4 PSI 7 7 A 6 SER C A 7 TYR N A 7 TYR CA A 7 TYR C 1.0 -152.0 -80.8 PHI 8 8 A 7 TYR N A 7 TYR CA A 7 TYR C A 8 PRO N 1.0 47.9 137.9 PSI 9 9 A 8 PRO N A 8 PRO CA A 8 PRO C A 9 PRO N 1.0 130.6 170.6 PSI 10 10 A 9 PRO N A 9 PRO CA A 9 PRO C A 10 GLU N 1.0 75.9 203.9 PSI 11 11 A 9 PRO C A 10 GLU N A 10 GLU CA A 10 GLU C 1.0 -107.9 -58.9 PHI 12 12 A 10 GLU N A 10 GLU CA A 10 GLU C A 11 CYS N 1.0 106.8 159.8 PSI 13 13 A 10 GLU C A 11 CYS N A 11 CYS CA A 11 CYS C 1.0 -138.3 -93.9 PHI 14 14 A 11 CYS N A 11 CYS CA A 11 CYS C A 12 TRP N 1.0 122.0 162.0 PSI 15 15 A 11 CYS C A 12 TRP N A 12 TRP CA A 12 TRP C 1.0 -116.7 -45.3 PHI 16 16 A 12 TRP N A 12 TRP CA A 12 TRP C A 13 PRO N 1.0 96.5 182.3 PSI 17 17 A 3 CYS N A 3 CYS CA A 3 CYS CB A 3 CYS SG 1.0 -90.0 -30.0 CHI1 18 18 A 6 SER N A 6 SER CA A 6 SER CB A 6 SER OG 1.0 30.0 90.0 CHI1 19 19 A 7 TYR N A 7 TYR CA A 7 TYR CB A 7 TYR CG 1.0 150.0 210.0 CHI1 stop_ save_