data_nef_c30487_6dza 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 6DZA 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 7 PHE C 1 8 DPR N 1 8 DPR C 1 9 PRO 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 GLY cyclic . false 2 A 2 SER middle . . 3 A 3 LYS middle . . 4 A 4 ARG middle . . 5 A 5 PHE middle . . 6 A 6 ARG middle . . 7 A 7 PHE middle -OXT . 8 A 8 DPR middle -H,-OXT . 9 A 9 PRO middle -H false 10 A 10 GLU middle . . 11 A 11 ILE middle . . 12 A 12 ILE middle . . 13 A 13 PHE middle . . 14 A 14 ASN middle . . 15 A 15 GLU middle . . 16 A 16 ARG 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 8.354 0.00 A 1 GLY HAx H 1 3.740 0.00 A 1 GLY HAy H 1 3.970 0.00 A 1 GLY N N 15 101.565 0.00 A 2 SER H H 1 8.159 0.00 A 2 SER HA H 1 4.349 0.00 A 2 SER HBx H 1 3.817 0.00 A 2 SER HBy H 1 3.878 0.00 A 2 SER N N 15 112.870 0.00 A 3 LYS H H 1 8.276 0.00 A 3 LYS HA H 1 4.264 0.00 A 3 LYS HBx H 1 1.580 0.01 A 3 LYS HBy H 1 1.580 0.01 A 3 LYS HDx H 1 1.321 0.00 A 3 LYS HDy H 1 1.321 0.00 A 3 LYS HEx H 1 2.865 0.00 A 3 LYS HEy H 1 2.865 0.00 A 3 LYS HGx H 1 1.209 0.00 A 3 LYS HGy H 1 1.209 0.00 A 3 LYS HZ1 H 1 7.566 0.00 A 3 LYS HZ2 H 1 7.566 0.00 A 3 LYS HZ3 H 1 7.566 0.00 A 3 LYS N N 15 127.012 0.00 A 4 ARG H H 1 8.286 0.00 A 4 ARG HA H 1 4.458 0.00 A 4 ARG HBx H 1 1.462 0.00 A 4 ARG HDx H 1 2.946 0.00 A 4 ARG HDy H 1 2.946 0.00 A 4 ARG HE H 1 7.135 0.00 A 4 ARG HGx H 1 1.203 0.00 A 4 ARG HGy H 1 1.301 0.00 A 4 ARG N N 15 125.773 0.00 A 5 PHE H H 1 8.533 0.00 A 5 PHE HA H 1 4.650 0.00 A 5 PHE HBx H 1 2.865 0.00 A 5 PHE HBy H 1 2.947 0.00 A 5 PHE HDx H 1 7.193 0.01 A 5 PHE HDy H 1 7.193 0.01 A 6 ARG H H 1 8.339 0.00 A 6 ARG HA H 1 4.555 0.00 A 6 ARG HBx H 1 1.518 0.00 A 6 ARG HBy H 1 1.612 0.01 A 6 ARG HDx H 1 3.029 0.00 A 6 ARG HDy H 1 3.029 0.00 A 6 ARG HE H 1 7.208 0.00 A 6 ARG HGx H 1 1.355 0.00 A 6 ARG HGy H 1 1.437 0.00 A 6 ARG N N 15 126.319 0.00 A 7 PHE H H 1 8.693 0.00 A 7 PHE HA H 1 4.994 0.00 A 7 PHE HBx H 1 2.819 0.00 A 7 PHE HBy H 1 2.969 0.00 A 7 PHE HDx H 1 7.269 0.00 A 7 PHE HDy H 1 7.269 0.00 A 7 PHE N N 15 131.185 0.00 A 8 DPR HA H 1 4.541 0.00 A 8 DPR HBy H 1 2.123 0.00 A 8 DPR HBx H 1 1.945 0.00 A 8 DPR HDy H 1 3.421 0.01 A 8 DPR HGy H 1 1.782 0.00 A 8 DPR HGx H 1 1.750 0.00 A 9 PRO HA H 1 4.400 0.00 A 9 PRO HBx H 1 2.037 0.00 A 9 PRO HBy H 1 2.166 0.00 A 9 PRO HDx H 1 3.619 0.00 A 9 PRO HDy H 1 3.920 0.00 A 9 PRO HGx H 1 1.947 0.00 A 9 PRO HGy H 1 2.003 0.00 A 10 GLU H H 1 7.841 0.00 A 10 GLU HA H 1 4.280 0.00 A 10 GLU HBx H 1 2.032 0.01 A 10 GLU HGx H 1 2.173 0.00 A 10 GLU HGy H 1 2.292 0.00 A 10 GLU N N 15 122.271 0.00 A 11 ILE H H 1 8.317 0.00 A 11 ILE HA H 1 4.212 0.00 A 11 ILE HD1% H 1 0.555 0.00 A 11 ILE HG1x H 1 0.945 0.00 A 11 ILE HG1y H 1 0.945 0.00 A 11 ILE N N 15 127.344 0.00 A 12 ILE H H 1 8.354 0.00 A 12 ILE HA H 1 4.208 0.00 A 12 ILE HD1% H 1 0.447 0.00 A 13 PHE H H 1 8.532 0.00 A 13 PHE HA H 1 4.784 0.01 A 13 PHE HBx H 1 2.911 0.00 A 13 PHE HBy H 1 3.010 0.00 A 13 PHE HDx H 1 7.097 0.00 A 13 PHE HDy H 1 7.097 0.00 A 14 ASN H H 1 8.450 0.00 A 14 ASN HA H 1 4.637 0.00 A 14 ASN HBx H 1 2.769 0.00 A 14 ASN HBy H 1 2.769 0.00 A 14 ASN HD2x H 1 6.913 0.00 A 14 ASN HD2y H 1 7.678 0.00 A 14 ASN N N 15 122.413 0.00 A 15 GLU H H 1 8.689 0.00 A 15 GLU HA H 1 4.095 0.00 A 15 GLU HBx H 1 1.920 0.00 A 15 GLU HBy H 1 1.982 0.00 A 15 GLU HGx H 1 2.206 0.00 A 15 GLU HGy H 1 2.206 0.00 A 15 GLU N N 15 123.857 0.00 A 16 ARG H H 1 8.390 0.00 A 16 ARG HA H 1 4.201 0.00 A 16 ARG HBx H 1 1.725 0.00 A 16 ARG HBy H 1 1.843 0.01 A 16 ARG HDx H 1 3.116 0.00 A 16 ARG HDy H 1 3.116 0.00 A 16 ARG HE H 1 7.223 0.00 A 16 ARG HGx H 1 1.565 0.00 A 16 ARG HGy H 1 1.565 0.00 A 16 ARG N N 15 121.601 0.00 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 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 GLY HAy A 2 SER H 1.0 2.3 4.7 2 2 A 2 SER H A 1 GLY HAx 1.0 2.3 4.7 3 3 A 2 SER H A 2 SER HA 1.0 1.8 3.2 4 4 A 2 SER HA A 3 LYS H 1.0 1.8 3.2 5 5 A 3 LYS H A 3 LYS HA 1.0 1.8 3.2 6 6 A 4 ARG HA A 12 ILE H 1.0 2.3 4.7 7 7 A 4 ARG HA A 14 ASN H 1.0 2.9 6.1 8 8 A 4 ARG HA A 4 ARG H 1.0 2.3 4.7 9 9 A 4 ARG HA A 5 PHE H 1.0 1.8 3.2 10 10 A 5 PHE H A 5 PHE HA 1.0 2.3 4.7 11 11 A 5 PHE HA A 6 ARG H 1.0 1.8 3.2 12 12 A 6 ARG H A 6 ARG HA 1.0 1.8 3.2 13 13 A 6 ARG HA A 7 PHE H 1.0 1.8 3.2 14 14 A 8 DPR HA A 10 GLU H 1.0 2.3 4.7 15 15 A 10 GLU H A 9 PRO HA 1.0 1.8 3.2 16 16 A 10 GLU H A 10 GLU HA 1.0 1.8 3.2 17 17 A 10 GLU HA A 11 ILE H 1.0 1.8 3.2 18 18 A 11 ILE H A 11 ILE HA 1.0 1.8 3.2 19 19 A 7 PHE H A 11 ILE HA 1.0 2.9 6.1 20 20 A 12 ILE H A 12 ILE HA 1.0 1.8 3.2 21 21 A 12 ILE HA A 13 PHE H 1.0 1.8 3.2 22 22 A 13 PHE H A 13 PHE HA 1.0 2.3 4.7 23 23 A 14 ASN H A 13 PHE HA 1.0 1.8 3.2 24 24 A 14 ASN H A 14 ASN HA 1.0 1.8 3.2 25 25 A 14 ASN HA A 15 GLU H 1.0 1.8 3.2 26 26 A 15 GLU H A 15 GLU HA 1.0 1.8 3.2 27 27 A 15 GLU HA A 16 ARG H 1.0 1.8 3.2 28 28 A 16 ARG H A 16 ARG HA 1.0 1.8 3.2 29 29 A 2 SER H A 3 LYS H 1.0 1.8 3.2 30 30 A 4 ARG H A 5 PHE H 1.0 2.3 4.7 31 31 A 6 ARG H A 7 PHE H 1.0 2.3 4.7 32 32 A 10 GLU H A 11 ILE H 1.0 2.3 4.7 33 33 A 7 PHE H A 10 GLU H 1.0 2.9 6.1 34 34 A 14 ASN H A 15 GLU H 1.0 2.3 4.7 35 35 A 15 GLU H A 16 ARG H 1.0 2.3 4.7 36 36 A 6 ARG HA A 11 ILE HA 1.0 2.3 4.7 37 37 A 4 ARG HA A 13 PHE HA 1.0 2.9 6.1 38 38 A 7 PHE H A 10 GLU O 1.0 1.5 2.5 39 39 A 10 GLU H A 7 PHE O 1.0 1.5 2.5 40 40 A 5 PHE H A 12 ILE O 1.0 1.5 2.5 41 41 A 12 ILE H A 5 PHE O 1.0 1.5 2.5 42 42 A 2 SER H A 2 SER HBy 1.0 1.8 3.2 43 43 A 3 LYS H A 2 SER HBy 1.0 2.9 6.1 44 44 A 2 SER H A 2 SER HBx 1.0 2.3 4.7 45 45 A 3 LYS H A 2 SER HBx 1.0 2.3 4.7 46 46 A 5 PHE HD% A 3 LYS HBx 1.0 1.8 3.2 47 46 A 3 LYS HBy A 5 PHE HD% 1.0 1.8 3.2 48 47 A 4 ARG HA A 13 PHE HD% 1.0 2.3 4.7 49 48 A 13 PHE HD% A 4 ARG HBx 1.0 2.3 4.7 50 48 A 13 PHE HD% A 4 ARG HBy 1.0 2.3 4.7 51 49 A 4 ARG HE A 4 ARG HBx 1.0 2.3 4.7 52 49 A 4 ARG HBy A 4 ARG HE 1.0 2.3 4.7 53 50 A 4 ARG H A 4 ARG HBx 1.0 1.8 3.2 54 50 A 4 ARG H A 4 ARG HBy 1.0 1.8 3.2 55 51 A 5 PHE H A 4 ARG HBx 1.0 2.3 4.7 56 51 A 5 PHE H A 4 ARG HBy 1.0 2.3 4.7 57 52 A 11 ILE HD1% A 4 ARG HDx 1.0 2.9 6.1 58 52 A 4 ARG HDy A 11 ILE HD1% 1.0 2.9 6.1 59 53 A 4 ARG HE A 4 ARG HDx 1.0 1.8 3.2 60 53 A 4 ARG HE A 4 ARG HDy 1.0 1.8 3.2 61 54 A 4 ARG H A 4 ARG HDx 1.0 2.9 6.1 62 54 A 4 ARG H A 4 ARG HDy 1.0 2.9 6.1 63 55 A 13 PHE HD% A 4 ARG HGy 1.0 2.3 4.7 64 56 A 4 ARG HE A 4 ARG HGy 1.0 2.3 4.7 65 57 A 4 ARG H A 4 ARG HGy 1.0 2.3 4.7 66 58 A 5 PHE H A 4 ARG HGy 1.0 2.3 4.7 67 59 A 13 PHE HD% A 4 ARG HGx 1.0 2.9 6.1 68 60 A 4 ARG HE A 4 ARG HGx 1.0 2.3 4.7 69 61 A 4 ARG H A 4 ARG HGx 1.0 2.3 4.7 70 62 A 5 PHE HD% A 5 PHE HBy 1.0 1.8 3.2 71 63 A 5 PHE H A 5 PHE HBy 1.0 1.8 3.2 72 64 A 6 ARG H A 5 PHE HBy 1.0 2.3 4.7 73 65 A 5 PHE HD% A 5 PHE HBx 1.0 1.8 3.2 74 66 A 6 ARG H A 5 PHE HBx 1.0 2.3 4.7 75 67 A 6 ARG H A 5 PHE HD% 1.0 2.9 6.1 76 68 A 6 ARG HA A 6 ARG HE 1.0 2.3 4.7 77 69 A 6 ARG H A 6 ARG HBy 1.0 1.8 3.2 78 70 A 7 PHE H A 6 ARG HBy 1.0 2.9 6.1 79 71 A 6 ARG H A 6 ARG HBx 1.0 1.8 3.2 80 72 A 7 PHE H A 6 ARG HBx 1.0 2.3 4.7 81 73 A 6 ARG HE A 6 ARG HDx 1.0 1.8 3.2 82 73 A 6 ARG HE A 6 ARG HDy 1.0 1.8 3.2 83 74 A 6 ARG H A 6 ARG HDx 1.0 2.9 6.1 84 74 A 6 ARG H A 6 ARG HDy 1.0 2.9 6.1 85 75 A 6 ARG HE A 6 ARG HGy 1.0 2.3 4.7 86 76 A 6 ARG H A 6 ARG HGy 1.0 2.3 4.7 87 77 A 7 PHE H A 6 ARG HGy 1.0 2.9 6.1 88 78 A 6 ARG HE A 6 ARG HGx 1.0 2.3 4.7 89 79 A 6 ARG H A 6 ARG HGx 1.0 2.3 4.7 90 80 A 7 PHE H A 6 ARG HGx 1.0 2.9 6.1 91 81 A 7 PHE HBy A 7 PHE HD% 1.0 2.3 4.7 92 82 A 7 PHE H A 7 PHE HBy 1.0 1.8 3.2 93 83 A 7 PHE HD% A 7 PHE HBx 1.0 2.3 4.7 94 84 A 7 PHE H A 7 PHE HBx 1.0 2.3 4.7 95 85 A 8 DPR HA A 8 DPR HBy 1.0 1.8 3.2 96 86 A 8 DPR HA A 8 DPR HGy 1.0 2.3 4.7 97 87 A 8 DPR HA A 9 PRO HDy 1.0 1.8 3.2 98 88 A 8 DPR HA A 9 PRO HDx 1.0 1.8 3.2 99 89 A 9 PRO HA A 9 PRO HBy 1.0 1.8 3.2 100 90 A 9 PRO HA A 9 PRO HBx 1.0 1.8 3.2 101 91 A 9 PRO HA A 9 PRO HDy 1.0 2.9 6.1 102 92 A 9 PRO HA A 9 PRO HDx 1.0 2.9 6.1 103 93 A 9 PRO HA A 9 PRO HGy 1.0 2.3 4.7 104 94 A 10 GLU H A 9 PRO HDy 1.0 2.9 6.1 105 95 A 10 GLU H A 9 PRO HDx 1.0 2.3 4.7 106 96 A 10 GLU H A 10 GLU HBx 1.0 1.8 3.2 107 96 A 10 GLU H A 10 GLU HBy 1.0 1.8 3.2 108 97 A 11 ILE H A 10 GLU HBx 1.0 2.3 4.7 109 97 A 11 ILE H A 10 GLU HBy 1.0 2.3 4.7 110 98 A 10 GLU H A 10 GLU HGy 1.0 2.3 4.7 111 99 A 10 GLU H A 10 GLU HGx 1.0 2.3 4.7 112 100 A 11 ILE H A 11 ILE HD1% 1.0 2.3 4.7 113 101 A 13 PHE HD% A 11 ILE HD1% 1.0 2.3 4.7 114 102 A 5 PHE H A 11 ILE HD1% 1.0 2.9 6.1 115 103 A 11 ILE HD1% A 6 ARG HE 1.0 2.3 4.7 116 104 A 11 ILE H A 11 ILE HG1x 1.0 2.3 4.7 117 104 A 11 ILE H A 11 ILE HG1y 1.0 2.3 4.7 118 105 A 13 PHE HD% A 13 PHE HBy 1.0 1.8 3.2 119 106 A 14 ASN H A 13 PHE HBy 1.0 2.3 4.7 120 107 A 13 PHE HD% A 13 PHE HBx 1.0 1.8 3.2 121 108 A 13 PHE H A 13 PHE HBx 1.0 1.8 3.2 122 109 A 14 ASN H A 13 PHE HBx 1.0 2.3 4.7 123 110 A 14 ASN H A 13 PHE HD% 1.0 2.3 4.7 124 111 A 4 ARG H A 13 PHE HD% 1.0 2.9 6.1 125 112 A 6 ARG H A 13 PHE HD% 1.0 2.3 4.7 126 113 A 14 ASN HBx A 14 ASN HD2y 1.0 2.3 4.7 127 113 A 14 ASN HBy A 14 ASN HD2y 1.0 2.3 4.7 128 113 A 14 ASN HD2x A 14 ASN HBx 1.0 2.3 4.7 129 113 A 14 ASN HBy A 14 ASN HD2x 1.0 2.3 4.7 130 114 A 14 ASN HBx A 14 ASN HD2y 1.0 1.8 3.2 131 114 A 14 ASN HBy A 14 ASN HD2y 1.0 1.8 3.2 132 114 A 14 ASN HD2x A 14 ASN HBx 1.0 1.8 3.2 133 114 A 14 ASN HBy A 14 ASN HD2x 1.0 1.8 3.2 134 115 A 14 ASN H A 14 ASN HBx 1.0 1.8 3.2 135 115 A 14 ASN H A 14 ASN HBy 1.0 1.8 3.2 136 116 A 15 GLU H A 15 GLU HBy 1.0 2.3 4.7 137 117 A 16 ARG H A 15 GLU HBy 1.0 2.3 4.7 138 118 A 15 GLU H A 15 GLU HBx 1.0 2.3 4.7 139 119 A 15 GLU H A 15 GLU HGx 1.0 2.3 4.7 140 119 A 15 GLU H A 15 GLU HGy 1.0 2.3 4.7 141 120 A 16 ARG H A 15 GLU HGx 1.0 2.9 6.1 142 120 A 16 ARG H A 15 GLU HGy 1.0 2.9 6.1 143 121 A 16 ARG HA A 16 ARG HE 1.0 2.9 6.1 144 122 A 16 ARG HE A 16 ARG HBy 1.0 2.3 4.7 145 123 A 16 ARG H A 16 ARG HBy 1.0 1.8 3.2 146 124 A 16 ARG HE A 16 ARG HBx 1.0 2.9 6.1 147 125 A 16 ARG H A 16 ARG HBx 1.0 2.3 4.7 148 126 A 16 ARG HE A 16 ARG HDx 1.0 2.3 4.7 149 126 A 16 ARG HE A 16 ARG HDy 1.0 2.3 4.7 150 127 A 15 GLU H A 16 ARG HE 1.0 2.9 6.1 151 128 A 16 ARG H A 16 ARG HGx 1.0 2.3 4.7 152 128 A 16 ARG H A 16 ARG HGy 1.0 2.3 4.7 stop_ save_