data_nef_c30412_6cgx 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 6CGX 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 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 cyclic . false 2 A 2 CYS middle -HG . 3 A 3 CYS middle -HG . 4 A 4 SER middle . . 5 A 5 ASP middle . . 6 A 6 PRO middle . false 7 A 7 ARG middle . . 8 A 8 CYS middle -HG . 9 A 9 ASN middle . . 10 A 10 TYR middle . . 11 A 11 ALA middle . . 12 A 12 HIS middle . . 13 A 13 PRO middle . false 14 A 14 ALA middle . . 15 A 15 ILE middle . . 16 A 16 CYS middle -HG . 17 A 17 GLY middle . false 18 A 18 GLY middle . false 19 A 19 ALA middle . . 20 A 20 ALA middle . . 21 A 21 GLY middle . false 22 A 22 GLY cyclic . false 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 8.691 0.009 A 1 GLY HA2 H 1 3.793 0.016 A 1 GLY HA3 H 1 3.928 0.017 A 1 GLY CA C 13 48.895 0.000 A 1 GLY N N 15 108.674 0.000 A 2 CYS H H 1 8.834 0.006 A 2 CYS HA H 1 4.591 0.003 A 2 CYS HB2 H 1 3.219 0.014 A 2 CYS HB3 H 1 2.728 0.018 A 2 CYS CA C 13 60.456 0.000 A 2 CYS CB C 13 44.324 0.021 A 2 CYS N N 15 122.061 0.000 A 3 CYS H H 1 8.248 0.012 A 3 CYS HA H 1 4.334 0.011 A 3 CYS HB2 H 1 2.815 0.000 A 3 CYS HB3 H 1 3.269 0.000 A 3 CYS CA C 13 58.824 0.000 A 3 CYS CB C 13 43.750 0.041 A 3 CYS N N 15 113.233 0.000 A 4 SER H H 1 7.853 0.010 A 4 SER HA H 1 4.432 0.017 A 4 SER HBx H 1 3.968 0.014 A 4 SER HBy H 1 3.968 0.014 A 4 SER CA C 13 63.026 0.000 A 4 SER CB C 13 66.356 0.000 A 4 SER N N 15 114.775 0.000 A 5 ASP H H 1 7.920 0.012 A 5 ASP HA H 1 5.203 0.002 A 5 ASP HB2 H 1 3.181 0.002 A 5 ASP HB3 H 1 2.701 0.002 A 5 ASP CA C 13 52.438 0.000 A 5 ASP CB C 13 43.812 0.000 A 5 ASP N N 15 124.075 0.000 A 6 PRO HA H 1 4.263 0.008 A 6 PRO HB2 H 1 2.371 0.017 A 6 PRO HB3 H 1 1.988 0.013 A 6 PRO HD2 H 1 3.922 0.014 A 6 PRO HD3 H 1 4.076 0.005 A 6 PRO HG2 H 1 2.058 0.014 A 6 PRO HG3 H 1 2.110 0.001 A 6 PRO CA C 13 68.479 0.000 A 6 PRO CB C 13 34.988 0.000 A 6 PRO CG C 13 30.152 0.015 A 7 ARG H H 1 7.984 0.002 A 7 ARG HA H 1 4.147 0.013 A 7 ARG HBx H 1 1.893 0.005 A 7 ARG HBy H 1 1.893 0.005 A 7 ARG HDx H 1 3.203 0.003 A 7 ARG HDy H 1 3.203 0.003 A 7 ARG HE H 1 7.397 0.002 A 7 ARG HG2 H 1 1.734 0.010 A 7 ARG HG3 H 1 1.645 0.011 A 7 ARG CA C 13 61.231 0.000 A 7 ARG CB C 13 32.315 0.000 A 7 ARG CG C 13 29.918 0.009 A 7 ARG N N 15 115.845 0.000 A 8 CYS H H 1 8.094 0.002 A 8 CYS HA H 1 4.409 0.004 A 8 CYS HB2 H 1 3.259 0.003 A 8 CYS HB3 H 1 4.235 0.007 A 8 CYS CA C 13 61.999 0.000 A 8 CYS CB C 13 43.762 0.000 A 8 CYS N N 15 121.386 0.000 A 9 ASN H H 1 9.021 0.002 A 9 ASN HA H 1 4.349 0.023 A 9 ASN HBx H 1 2.858 0.008 A 9 ASN HBy H 1 2.858 0.008 A 9 ASN HD21 H 1 7.997 0.000 A 9 ASN HD22 H 1 6.956 0.010 A 9 ASN CA C 13 59.119 0.000 A 9 ASN CB C 13 41.634 0.000 A 9 ASN N N 15 121.717 0.000 A 9 ASN ND2 N 15 114.114 0.000 A 10 TYR H H 1 7.902 0.001 A 10 TYR HA H 1 4.155 0.001 A 10 TYR HB2 H 1 3.190 0.007 A 10 TYR HB3 H 1 3.010 0.015 A 10 TYR HDx H 1 7.100 0.001 A 10 TYR HDy H 1 7.100 0.001 A 10 TYR HEx H 1 6.796 0.001 A 10 TYR HEy H 1 6.796 0.001 A 10 TYR CA C 13 62.635 0.000 A 10 TYR CB C 13 40.929 0.000 A 10 TYR N N 15 117.485 0.000 A 11 ALA H H 1 7.398 0.010 A 11 ALA HA H 1 4.103 0.017 A 11 ALA HB% H 1 1.312 0.018 A 11 ALA CA C 13 55.023 0.000 A 11 ALA CB C 13 21.795 0.000 A 11 ALA N N 15 117.934 0.000 A 12 HIS H H 1 7.840 0.009 A 12 HIS HA H 1 5.060 0.013 A 12 HIS HB2 H 1 3.051 0.019 A 12 HIS HB3 H 1 3.248 0.003 A 12 HIS HD2 H 1 7.463 0.004 A 12 HIS CA C 13 56.575 0.000 A 12 HIS CB C 13 31.278 0.000 A 12 HIS N N 15 115.860 0.000 A 13 PRO HA H 1 4.475 0.012 A 13 PRO HB2 H 1 2.274 0.019 A 13 PRO HB3 H 1 1.957 0.015 A 13 PRO HD2 H 1 3.384 0.003 A 13 PRO HD3 H 1 3.473 0.019 A 13 PRO HGx H 1 1.949 0.017 A 13 PRO HGy H 1 1.949 0.017 A 13 PRO CA C 13 67.477 0.000 A 13 PRO CB C 13 34.036 0.000 A 13 PRO CG C 13 30.001 0.000 A 14 ALA H H 1 8.413 0.009 A 14 ALA HA H 1 4.242 0.021 A 14 ALA HB% H 1 1.440 0.018 A 14 ALA CB C 13 21.229 0.000 A 14 ALA N N 15 120.577 0.000 A 15 ILE H H 1 7.469 0.012 A 15 ILE HA H 1 4.241 0.013 A 15 ILE HB H 1 1.989 0.017 A 15 ILE HD1% H 1 0.800 0.018 A 15 ILE HG12 H 1 1.201 0.018 A 15 ILE HG13 H 1 1.624 0.016 A 15 ILE HG2% H 1 0.874 0.008 A 15 ILE CA C 13 56.821 0.000 A 15 ILE CB C 13 41.451 0.000 A 15 ILE CD1 C 13 15.558 0.000 A 15 ILE CG1 C 13 30.255 0.032 A 15 ILE CG2 C 13 15.495 0.000 A 15 ILE N N 15 114.104 0.000 A 16 CYS H H 1 8.021 0.011 A 16 CYS HA H 1 4.988 0.005 A 16 CYS HB2 H 1 3.299 0.015 A 16 CYS HB3 H 1 2.738 0.015 A 16 CYS CA C 13 56.894 0.000 A 16 CYS CB C 13 40.918 0.017 A 16 CYS N N 15 118.406 0.000 A 17 GLY H H 1 8.357 0.009 A 17 GLY HA2 H 1 3.864 0.018 A 17 GLY HA3 H 1 4.067 0.020 A 17 GLY CA C 13 48.688 0.000 A 17 GLY N N 15 110.624 0.000 A 18 GLY H H 1 8.446 0.012 A 18 GLY HA2 H 1 4.007 0.005 A 18 GLY HA3 H 1 3.846 0.001 A 18 GLY N N 15 110.034 0.000 A 19 ALA H H 1 8.213 0.015 A 19 ALA HA H 1 4.368 0.013 A 19 ALA HB% H 1 1.396 0.022 A 19 ALA CA C 13 54.764 0.000 A 19 ALA CB C 13 21.931 0.000 A 19 ALA N N 15 124.137 0.000 A 20 ALA H H 1 8.185 0.012 A 20 ALA HA H 1 4.289 0.015 A 20 ALA HB% H 1 1.388 0.015 A 20 ALA CA C 13 55.101 0.000 A 20 ALA CB C 13 21.917 0.000 A 20 ALA N N 15 122.795 0.000 A 21 GLY H H 1 8.140 0.015 A 21 GLY HA2 H 1 4.012 0.022 A 21 GLY HA3 H 1 3.855 0.000 A 21 GLY CA C 13 47.552 0.000 A 21 GLY N N 15 107.752 0.000 A 22 GLY H H 1 8.312 0.001 A 22 GLY HA2 H 1 4.116 0.016 A 22 GLY HA3 H 1 3.928 0.014 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 5 ASP H A 5 ASP HB3 1.0 . 4.14 2 2 A 5 ASP H A 5 ASP HB2 1.0 . 4.14 3 3 A 14 ALA H A 14 ALA HB% 1.0 . 3.43 4 4 A 4 SER H A 4 SER HBx 1.0 . 3.76 5 4 A 4 SER H A 4 SER HBy 1.0 . 3.76 6 5 A 2 CYS H A 2 CYS HB2 1.0 . 3.75 7 6 A 2 CYS H A 2 CYS HB3 1.0 . 3.75 8 7 A 11 ALA H A 11 ALA HB% 1.0 . 3.82 9 8 A 10 TYR H A 10 TYR HB3 1.0 . 3.66 10 9 A 10 TYR H A 10 TYR HB2 1.0 . 3.66 11 10 A 20 ALA H A 20 ALA HB% 1.0 . 3.79 12 11 A 19 ALA H A 19 ALA HB% 1.0 . 3.77 13 12 A 9 ASN H A 9 ASN HBx 1.0 . 3.42 14 12 A 9 ASN H A 9 ASN HBy 1.0 . 3.42 15 13 A 10 TYR H A 9 ASN HBx 1.0 . 3.54 16 13 A 10 TYR H A 9 ASN HBy 1.0 . 3.54 17 14 A 3 CYS H A 2 CYS HB2 1.0 . 4.23 18 15 A 3 CYS H A 2 CYS HB3 1.0 . 4.23 19 16 A 15 ILE H A 15 ILE HD1% 1.0 . 4.23 20 17 A 15 ILE H A 15 ILE HG12 1.0 . 4.48 21 18 A 15 ILE H A 15 ILE HB 1.0 . 4.17 22 19 A 15 ILE H A 15 ILE HG13 1.0 . 4.48 23 20 A 8 CYS HA A 12 HIS HD2 1.0 . 4.57 24 21 A 9 ASN HD22 A 9 ASN HBx 1.0 . 4.07 25 21 A 9 ASN HBy A 9 ASN HD22 1.0 . 4.07 26 22 A 9 ASN HD21 A 9 ASN HBx 1.0 . 4.07 27 22 A 9 ASN HBy A 9 ASN HD21 1.0 . 4.07 28 23 A 10 TYR HA A 10 TYR HD% 1.0 . 4.00 29 24 A 10 TYR H A 9 ASN H 1.0 . 4.30 30 25 A 9 ASN H A 8 CYS H 1.0 . 3.83 31 26 A 2 CYS H A 3 CYS H 1.0 . 3.93 32 27 A 19 ALA H A 18 GLY H 1.0 . 4.46 33 28 A 14 ALA H A 15 ILE H 1.0 . 3.89 34 29 A 16 CYS H A 17 GLY H 1.0 . 4.24 35 30 A 4 SER H A 3 CYS H 1.0 . 3.91 36 31 A 15 ILE H A 16 CYS H 1.0 . 3.95 37 32 A 11 ALA H A 12 HIS H 1.0 . 4.03 38 33 A 11 ALA H A 10 TYR H 1.0 . 4.12 39 34 A 5 ASP HA A 6 PRO HD3 1.0 . 3.77 40 35 A 5 ASP HA A 6 PRO HD2 1.0 . 3.77 41 36 A 12 HIS H A 13 PRO HD3 1.0 . 5.06 42 37 A 12 HIS H A 13 PRO HD2 1.0 . 5.06 43 38 A 17 GLY H A 16 CYS HB2 1.0 . 5.03 44 39 A 17 GLY H A 16 CYS HB3 1.0 . 5.03 45 40 A 14 ALA H A 12 HIS HA 1.0 . 5.08 46 41 A 11 ALA H A 8 CYS HA 1.0 . 5.22 47 42 A 7 ARG H A 6 PRO HD2 1.0 . 4.78 48 43 A 7 ARG H A 6 PRO HD3 1.0 . 4.78 49 44 A 5 ASP H A 4 SER HBx 1.0 . 5.06 50 44 A 5 ASP H A 4 SER HBy 1.0 . 5.06 51 45 A 8 CYS HA A 12 HIS HD1 1.0 . 4.84 52 46 A 12 HIS HD1 A 8 CYS HB3 1.0 . 5.50 53 47 A 12 HIS HD1 A 8 CYS HB2 1.0 . 5.50 54 48 A 11 ALA HB% A 12 HIS HD1 1.0 . 4.08 55 49 A 1 GLY H1 A 22 GLY H 1.0 . 5.15 56 50 A 2 CYS H A 1 GLY H1 1.0 . 5.08 57 51 A 4 SER H A 2 CYS HA 1.0 . 5.49 58 52 A 5 ASP HA A 7 ARG H 1.0 . 5.50 59 53 A 9 ASN H A 7 ARG H 1.0 . 5.23 60 54 A 8 CYS H A 7 ARG H 1.0 . 3.86 61 55 A 8 CYS H A 9 ASN HBx 1.0 . 5.11 62 55 A 9 ASN HBy A 8 CYS H 1.0 . 5.11 63 56 A 14 ALA H A 13 PRO HGx 1.0 . 5.50 64 56 A 14 ALA H A 13 PRO HGy 1.0 . 5.50 65 57 A 1 GLY H1 A 22 GLY HA2 1.0 . 3.79 66 57 A 1 GLY H1 A 22 GLY HA3 1.0 . 3.79 67 58 A 3 CYS H A 2 CYS HB3 1.0 . 3.53 68 58 A 3 CYS H A 2 CYS HB2 1.0 . 3.53 69 59 A 4 SER H A 2 CYS HB3 1.0 . 5.34 70 59 A 4 SER H A 2 CYS HB2 1.0 . 5.34 71 60 A 3 CYS H A 3 CYS HB2 1.0 . 3.45 72 60 A 3 CYS H A 3 CYS HB3 1.0 . 3.45 73 61 A 5 ASP H A 5 ASP HB2 1.0 . 3.44 74 61 A 5 ASP H A 5 ASP HB3 1.0 . 3.44 75 62 A 5 ASP HA A 6 PRO HD3 1.0 . 3.23 76 62 A 5 ASP HA A 6 PRO HD2 1.0 . 3.23 77 63 A 8 CYS H A 5 ASP HB2 1.0 . 4.34 78 63 A 8 CYS H A 5 ASP HB3 1.0 . 4.34 79 64 A 7 ARG H A 6 PRO HD3 1.0 . 4.12 80 64 A 7 ARG H A 6 PRO HD2 1.0 . 4.12 81 65 A 7 ARG H A 7 ARG HG2 1.0 . 3.99 82 65 A 7 ARG H A 7 ARG HG3 1.0 . 3.99 83 66 A 7 ARG HE A 10 TYR HB3 1.0 . 4.42 84 66 A 7 ARG HE A 10 TYR HB2 1.0 . 4.42 85 67 A 8 CYS H A 8 CYS HB3 1.0 . 3.48 86 67 A 8 CYS H A 8 CYS HB2 1.0 . 3.48 87 68 A 9 ASN H A 8 CYS HB3 1.0 . 4.10 88 68 A 9 ASN H A 8 CYS HB2 1.0 . 4.10 89 69 A 9 ASN HD21 A 9 ASN HA 1.0 . 4.65 90 69 A 9 ASN HD22 A 9 ASN HA 1.0 . 4.65 91 70 A 9 ASN HD21 A 16 CYS HB2 1.0 . 3.83 92 70 A 9 ASN HD21 A 16 CYS HB3 1.0 . 3.83 93 70 A 9 ASN HD22 A 16 CYS HB2 1.0 . 3.83 94 70 A 9 ASN HD22 A 16 CYS HB3 1.0 . 3.83 95 71 A 10 TYR H A 10 TYR HB3 1.0 . 3.10 96 71 A 10 TYR H A 10 TYR HB2 1.0 . 3.10 97 72 A 12 HIS H A 13 PRO HD3 1.0 . 4.30 98 72 A 12 HIS H A 13 PRO HD2 1.0 . 4.30 99 73 A 12 HIS HA A 13 PRO HD3 1.0 . 3.52 100 73 A 12 HIS HA A 13 PRO HD2 1.0 . 3.52 101 74 A 12 HIS HD2 A 12 HIS HB2 1.0 . 3.46 102 74 A 12 HIS HD2 A 12 HIS HB3 1.0 . 3.46 103 75 A 14 ALA H A 13 PRO HD3 1.0 . 4.29 104 75 A 14 ALA H A 13 PRO HD2 1.0 . 4.29 105 76 A 15 ILE H A 15 ILE HG13 1.0 . 3.87 106 76 A 15 ILE H A 15 ILE HG12 1.0 . 3.87 107 77 A 16 CYS H A 16 CYS HB3 1.0 . 3.64 108 77 A 16 CYS H A 16 CYS HB2 1.0 . 3.64 109 78 A 17 GLY H A 16 CYS HB3 1.0 . 4.42 110 78 A 17 GLY H A 16 CYS HB2 1.0 . 4.42 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 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 2 CYS SG A 8 CYS SG 1.0 . 1.98 2 2 A 2 CYS SG A 8 CYS CB 1.0 . 2.90 3 3 A 8 CYS SG A 2 CYS CB 1.0 . 2.90 4 4 A 3 CYS SG A 16 CYS SG 1.0 . 1.98 5 5 A 3 CYS SG A 16 CYS CB 1.0 . 2.90 6 6 A 16 CYS SG A 3 CYS CB 1.0 . 2.90 7 7 A 2 CYS SG A 8 CYS SG 1.0 . 2.12 8 8 A 2 CYS SG A 8 CYS CB 1.0 . 3.50 9 9 A 8 CYS SG A 2 CYS CB 1.0 . 3.50 10 10 A 3 CYS SG A 16 CYS SG 1.0 . 2.12 11 11 A 3 CYS SG A 16 CYS CB 1.0 . 3.15 12 12 A 16 CYS SG A 3 CYS CB 1.0 . 3.50 stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 2 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 11 . . . . 2 ppm . . 11 . . . . stop_ save_