data_nef_c17240_2l4g 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 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2JRD PDB 1IBN PDB 1XOP PDB 1XOO stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly 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 LEU middle . . 3 A 3 PHE middle . . 4 A 4 GLY middle . false 5 A 5 ALA middle . . 6 A 6 ILE middle . . 7 A 7 ALA middle . . 8 A 8 GLY middle . false 9 A 9 PHE middle . . 10 A 10 ILE middle . . 11 A 11 GLU middle . . 12 A 12 ASN middle . . 13 A 13 ALA middle . . 14 A 14 TRP middle . . 15 A 15 GLU middle . . 16 A 16 GLY middle . false 17 A 17 MET middle . . 18 A 18 ILE middle . . 19 A 19 ASP middle . . 20 A 20 GLY middle . false 21 A 21 GLY middle . false 22 A 22 CYS middle . . 23 A 23 GLY middle . false 24 A 24 LYS middle . . 25 A 25 LYS middle . . 26 A 26 LYS middle . . 27 A 27 LYS 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 3.936 0.000 A 1 GLY HA3 H 1 3.936 0.000 A 2 LEU H H 1 9.317 0.003 A 2 LEU HA H 1 4.120 0.002 A 2 LEU HB2 H 1 1.710 0.001 A 2 LEU HB3 H 1 1.564 0.003 A 2 LEU HDx% H 1 0.942 0.000 A 2 LEU HDy% H 1 0.854 0.002 A 3 PHE H H 1 8.989 0.002 A 3 PHE HA H 1 4.218 0.005 A 3 PHE HB2 H 1 3.133 0.003 A 3 PHE HB3 H 1 3.214 0.002 A 3 PHE HDx H 1 7.257 0.001 A 3 PHE HDy H 1 7.257 0.001 A 4 GLY H H 1 8.514 0.002 A 4 GLY HA2 H 1 4.019 0.002 A 4 GLY HA3 H 1 3.753 0.010 A 5 ALA H H 1 8.184 0.002 A 5 ALA HA H 1 4.273 0.006 A 5 ALA HB% H 1 1.559 0.002 A 6 ILE H H 1 8.221 0.010 A 6 ILE HA H 1 3.771 0.003 A 6 ILE HB H 1 1.987 0.003 A 6 ILE HD1% H 1 0.844 0.002 A 6 ILE HG1x H 1 1.063 0.000 A 6 ILE HG1y H 1 1.063 0.000 A 6 ILE HG2% H 1 0.946 0.000 A 7 ALA H H 1 8.620 0.004 A 7 ALA HA H 1 3.903 0.002 A 7 ALA HB% H 1 1.341 0.002 A 8 GLY H H 1 8.242 0.004 A 8 GLY HA2 H 1 3.867 0.000 A 8 GLY HA3 H 1 3.914 0.000 A 9 PHE H H 1 7.927 0.002 A 9 PHE HA H 1 4.409 0.001 A 9 PHE HB2 H 1 3.314 0.002 A 9 PHE HB3 H 1 3.314 0.002 A 9 PHE HDx H 1 7.257 0.000 A 9 PHE HDy H 1 7.257 0.000 A 10 ILE H H 1 8.412 0.003 A 10 ILE HA H 1 3.623 0.003 A 10 ILE HB H 1 1.994 0.000 A 10 ILE HD1% H 1 0.887 0.001 A 10 ILE HG12 H 1 0.952 0.000 A 10 ILE HG13 H 1 0.952 0.000 A 11 GLU H H 1 8.603 0.003 A 11 GLU HA H 1 3.977 0.001 A 11 GLU HB2 H 1 2.066 0.003 A 11 GLU HB3 H 1 2.185 0.002 A 11 GLU HG2 H 1 2.393 0.000 A 11 GLU HG3 H 1 2.558 0.003 A 12 ASN H H 1 8.035 0.001 A 12 ASN HA H 1 4.459 0.000 A 12 ASN HB2 H 1 2.866 0.002 A 12 ASN HB3 H 1 2.732 0.004 A 12 ASN HD21 H 1 7.707 0.001 A 12 ASN HD22 H 1 6.848 0.003 A 13 ALA H H 1 8.132 0.002 A 13 ALA HA H 1 4.072 0.003 A 13 ALA HB% H 1 1.292 0.003 A 14 TRP H H 1 8.551 0.003 A 14 TRP HA H 1 4.343 0.005 A 14 TRP HD1 H 1 7.160 0.003 A 14 TRP HE1 H 1 10.459 0.031 A 14 TRP HE3 H 1 7.603 0.002 A 14 TRP HH2 H 1 7.071 0.010 A 14 TRP HZ2 H 1 7.442 0.004 A 14 TRP HZ3 H 1 6.932 0.004 A 15 GLU H H 1 8.233 0.001 A 15 GLU HA H 1 4.459 0.000 A 15 GLU HB2 H 1 2.123 0.001 A 15 GLU HB3 H 1 2.123 0.001 A 15 GLU HG2 H 1 2.441 0.007 A 15 GLU HG3 H 1 2.569 0.000 A 16 GLY H H 1 7.966 0.003 A 16 GLY HA2 H 1 3.850 0.002 A 16 GLY HA3 H 1 3.931 0.000 A 17 MET H H 1 7.838 0.003 A 17 MET HA H 1 4.336 0.000 A 17 MET HBx H 1 1.999 0.008 A 17 MET HBy H 1 2.043 0.005 A 17 MET HG2 H 1 2.508 0.000 A 17 MET HG3 H 1 2.575 0.002 A 18 ILE H H 1 7.685 0.003 A 18 ILE HA H 1 3.979 0.001 A 18 ILE HB H 1 1.693 0.004 A 18 ILE HD1% H 1 0.599 0.003 A 18 ILE HG1y H 1 1.095 0.001 A 18 ILE HG1x H 1 0.979 0.001 A 18 ILE HG2% H 1 0.644 0.000 A 19 ASP H H 1 8.114 0.002 A 19 ASP HA H 1 4.570 0.004 A 19 ASP HBx H 1 2.687 0.000 A 19 ASP HBy H 1 2.739 0.000 A 20 GLY H H 1 8.185 0.000 A 20 GLY HA2 H 1 3.958 0.001 A 20 GLY HA3 H 1 3.958 0.001 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 1 GLY H1 A 3 PHE H 1.0 . 4.07 2 2 A 3 PHE H A 1 GLY HA2 1.0 . 4.76 3 3 A 1 GLY HA3 A 2 LEU H 1.0 . 3.05 4 4 A 2 LEU H A 2 LEU HB2 1.0 . 2.74 5 5 A 2 LEU H A 2 LEU HB3 1.0 . 2.71 6 6 A 2 LEU H A 2 LEU HDx% 1.0 . 5.60 7 7 A 2 LEU H A 2 LEU HDy% 1.0 . 5.97 8 8 A 3 PHE H A 2 LEU H 1.0 . 3.45 9 9 A 2 LEU HDx% A 2 LEU HA 1.0 . 3.58 10 10 A 2 LEU HDy% A 2 LEU HA 1.0 . 4.42 11 11 A 3 PHE H A 2 LEU HA 1.0 . 3.45 12 12 A 2 LEU HA A 4 GLY H 1.0 . 3.95 13 13 A 2 LEU HA A 5 ALA H 1.0 . 3.02 14 14 A 2 LEU HA A 5 ALA HB% 1.0 . 3.43 15 15 A 3 PHE H A 2 LEU HB2 1.0 . 3.48 16 16 A 2 LEU HB3 A 2 LEU HDy% 1.0 . 3.43 17 17 A 3 PHE H A 2 LEU HB3 1.0 . 2.90 18 18 A 2 LEU HB3 A 3 PHE HD% 1.0 . 7.62 19 19 A 3 PHE H A 2 LEU HDx% 1.0 . 6.47 20 20 A 3 PHE H A 2 LEU HDy% 1.0 . 5.50 21 21 A 3 PHE H A 3 PHE HB2 1.0 . 2.65 22 22 A 3 PHE H A 3 PHE HB3 1.0 . 2.83 23 23 A 3 PHE H A 4 GLY H 1.0 . 2.90 24 24 A 4 GLY H A 3 PHE HA 1.0 . 3.36 25 25 A 3 PHE HA A 6 ILE H 1.0 . 3.45 26 26 A 3 PHE HA A 6 ILE HG2% 1.0 . 5.07 27 27 A 3 PHE HA A 6 ILE HG1x 1.0 . 5.50 28 28 A 3 PHE HA A 6 ILE HD1% 1.0 . 3.99 29 29 A 4 GLY H A 3 PHE HB2 1.0 . 3.61 30 30 A 4 GLY H A 3 PHE HB3 1.0 . 3.52 31 31 A 4 GLY H A 3 PHE HD% 1.0 . 7.62 32 32 A 3 PHE HD% A 6 ILE HA 1.0 . 7.62 33 33 A 3 PHE HD% A 6 ILE HB 1.0 . 7.62 34 34 A 3 PHE HD% A 6 ILE HG2% 1.0 . 7.53 35 35 A 3 PHE HD% A 6 ILE HD1% 1.0 . 6.94 36 36 A 3 PHE HD% A 7 ALA HB% 1.0 . 7.84 37 37 A 7 ALA HB% A 4 GLY HA2 1.0 . 5.51 38 37 A 7 ALA HB% A 4 GLY HA3 1.0 . 5.51 39 38 A 5 ALA H A 5 ALA HB% 1.0 . 3.43 40 39 A 5 ALA HA A 7 ALA H 1.0 . 3.95 41 40 A 6 ILE H A 6 ILE HB 1.0 . 2.52 42 41 A 6 ILE H A 6 ILE HG1x 1.0 . 2.77 43 42 A 6 ILE H A 6 ILE HG1y 1.0 . 3.52 44 43 A 6 ILE H A 6 ILE HD1% 1.0 . 4.11 45 44 A 6 ILE HG2% A 6 ILE HA 1.0 . 3.49 46 45 A 6 ILE HG1x A 6 ILE HA 1.0 . 3.24 47 46 A 6 ILE HA A 6 ILE HG1y 1.0 . 3.17 48 47 A 6 ILE HD1% A 6 ILE HA 1.0 . 4.45 49 48 A 6 ILE HD1% A 6 ILE HB 1.0 . 3.43 50 49 A 6 ILE HB A 7 ALA H 1.0 . 2.80 51 50 A 6 ILE HG1x A 7 ALA H 1.0 . 5.22 52 51 A 7 ALA H A 6 ILE HG1y 1.0 . 5.50 53 52 A 6 ILE HA A 9 PHE H 1.0 . 3.76 54 53 A 6 ILE HA A 9 PHE HB2 1.0 . 4.85 55 53 A 6 ILE HA A 9 PHE HB3 1.0 . 4.85 56 54 A 7 ALA HB% A 9 PHE H 1.0 . 6.40 57 55 A 6 ILE HA A 9 PHE HB2 1.0 . 4.33 58 55 A 6 ILE HA A 9 PHE HB3 1.0 . 4.33 59 56 A 7 ALA HB% A 7 ALA H 1.0 . 3.43 60 57 A 7 ALA HA A 10 ILE HG21 1.0 . 4.05 61 58 A 7 ALA HA A 10 ILE HG12 1.0 . 5.50 62 59 A 7 ALA HA A 10 ILE HG13 1.0 . 4.63 63 60 A 7 ALA HA A 10 ILE HD1% 1.0 . 4.02 64 61 A 7 ALA HB% A 8 GLY H 1.0 . 3.49 65 62 A 9 PHE H A 8 GLY H 1.0 . 2.80 66 63 A 9 PHE H A 8 GLY H 1.0 . 3.55 67 64 A 9 PHE H A 9 PHE HB2 1.0 . 3.52 68 64 A 9 PHE H A 9 PHE HB3 1.0 . 3.52 69 65 A 9 PHE H A 10 ILE H 1.0 . 3.36 70 66 A 9 PHE H A 10 ILE HG21 1.0 . 6.53 71 67 A 9 PHE H A 10 ILE H 1.0 . 3.27 72 68 A 9 PHE H A 10 ILE HD1% 1.0 . 6.53 73 69 A 9 PHE HB3 A 10 ILE HG13 1.0 . 7.40 74 69 A 9 PHE HB2 A 10 ILE HG13 1.0 . 7.40 75 69 A 10 ILE HG12 A 9 PHE HB2 1.0 . 7.40 76 69 A 9 PHE HB3 A 10 ILE HG12 1.0 . 7.40 77 70 A 9 PHE H A 9 PHE HB2 1.0 . 3.71 78 70 A 9 PHE H A 9 PHE HB3 1.0 . 3.71 79 71 A 9 PHE H A 10 ILE H 1.0 . 2.80 80 72 A 9 PHE HA A 12 ASN H 1.0 . 3.14 81 73 A 9 PHE HA A 12 ASN HB2 1.0 . 5.07 82 73 A 9 PHE HA A 12 ASN HB3 1.0 . 5.07 83 74 A 10 ILE H A 9 PHE HB2 1.0 . 4.14 84 74 A 9 PHE HB3 A 10 ILE H 1.0 . 4.14 85 75 A 10 ILE H A 9 PHE HD% 1.0 . 7.62 86 76 A 9 PHE HD% A 10 ILE HA 1.0 . 7.44 87 77 A 9 PHE HD% A 10 ILE HB 1.0 . 7.62 88 78 A 10 ILE HG21 A 9 PHE HD% 1.0 . 7.38 89 79 A 10 ILE HG12 A 9 PHE HD% 1.0 . 6.97 90 80 A 9 PHE HD% A 10 ILE HG13 1.0 . 7.62 91 81 A 10 ILE HD1% A 9 PHE HD% 1.0 . 7.47 92 82 A 10 ILE HG21 A 9 PHE HE% 1.0 . 8.65 93 83 A 10 ILE HD1% A 9 PHE HE% 1.0 . 8.65 94 84 A 9 PHE HD% A 14 TRP HA 1.0 . 7.62 95 85 A 10 ILE H A 10 ILE HB 1.0 . 2.68 96 86 A 10 ILE H A 10 ILE HG12 1.0 . 2.93 97 87 A 10 ILE HD1% A 10 ILE H 1.0 . 4.64 98 88 A 10 ILE HG21 A 10 ILE HA 1.0 . 3.58 99 89 A 10 ILE HG12 A 10 ILE HA 1.0 . 3.61 100 90 A 10 ILE HA A 10 ILE HG13 1.0 . 3.14 101 91 A 10 ILE HD1% A 10 ILE HA 1.0 . 4.17 102 92 A 10 ILE HA A 14 TRP H 1.0 . 4.32 103 93 A 10 ILE HA A 14 TRP HE3 1.0 . 5.50 104 94 A 10 ILE HG21 A 11 GLU H 1.0 . 4.48 105 95 A 10 ILE HG21 A 14 TRP HE3 1.0 . 5.32 106 96 A 11 GLU H A 11 GLU HB2 1.0 . 3.80 107 96 A 11 GLU H A 11 GLU HB3 1.0 . 3.80 108 97 A 11 GLU H A 11 GLU HG2 1.0 . 3.89 109 98 A 11 GLU H A 11 GLU HG3 1.0 . 4.76 110 99 A 12 ASN H A 11 GLU H 1.0 . 2.71 111 100 A 11 GLU HG2 A 11 GLU HA 1.0 . 4.23 112 101 A 11 GLU HG3 A 11 GLU HA 1.0 . 3.67 113 102 A 11 GLU HA A 14 TRP HBx 1.0 . 5.57 114 102 A 11 GLU HA A 14 TRP HBy 1.0 . 5.57 115 103 A 12 ASN H A 11 GLU HB2 1.0 . 3.93 116 103 A 12 ASN H A 11 GLU HB3 1.0 . 3.93 117 104 A 12 ASN H A 12 ASN HD21 1.0 . 5.50 118 105 A 12 ASN H A 12 ASN HD22 1.0 . 5.50 119 106 A 12 ASN HA A 13 ALA H 1.0 . 3.27 120 107 A 10 ILE HA A 13 ALA H 1.0 . 3.33 121 108 A 14 TRP H A 13 ALA H 1.0 . 2.40 122 109 A 14 TRP H A 13 ALA HB% 1.0 . 4.33 123 110 A 12 ASN H A 13 ALA HB% 1.0 . 4.98 124 111 A 10 ILE H A 13 ALA HB% 1.0 . 4.64 125 112 A 13 ALA HB% A 16 GLY H 1.0 . 5.63 126 113 A 9 PHE HE% A 13 ALA HB% 1.0 . 8.05 127 113 A 9 PHE HD% A 13 ALA HB% 1.0 . 8.05 128 114 A 9 PHE H A 13 ALA HB% 1.0 . 5.60 129 115 A 13 ALA HB% A 14 TRP HD1 1.0 . 6.53 130 116 A 10 ILE HA A 13 ALA HB% 1.0 . 3.77 131 117 A 13 ALA HB% A 14 TRP HBx 1.0 . 5.12 132 117 A 14 TRP HBy A 13 ALA HB% 1.0 . 5.12 133 118 A 14 TRP H A 14 TRP HBx 1.0 . 3.77 134 118 A 14 TRP H A 14 TRP HBy 1.0 . 3.77 135 119 A 14 TRP H A 14 TRP HD1 1.0 . 5.07 136 120 A 14 TRP H A 15 GLU H 1.0 . 3.05 137 121 A 14 TRP HA A 14 TRP HD1 1.0 . 4.88 138 122 A 14 TRP HA A 17 MET HBx 1.0 . 4.11 139 122 A 14 TRP HA A 17 MET HBy 1.0 . 4.11 140 123 A 15 GLU H A 14 TRP HBx 1.0 . 4.21 141 123 A 14 TRP HBy A 15 GLU H 1.0 . 4.21 142 124 A 14 TRP HD1 A 15 GLU H 1.0 . 5.16 143 125 A 14 TRP HD1 A 15 GLU HA 1.0 . 4.94 144 126 A 14 TRP HD1 A 15 GLU HB2 1.0 . 6.38 145 126 A 14 TRP HD1 A 15 GLU HB3 1.0 . 6.38 146 127 A 14 TRP HD1 A 18 ILE HA 1.0 . 5.38 147 128 A 14 TRP HD1 A 18 ILE HG2% 1.0 . 6.53 148 129 A 14 TRP HD1 A 18 ILE HD1% 1.0 . 6.12 149 130 A 14 TRP HE3 A 15 GLU HA 1.0 . 5.50 150 131 A 14 TRP HE3 A 18 ILE HD1% 1.0 . 6.53 151 132 A 18 ILE HG2% A 14 TRP HE1 1.0 . 6.53 152 133 A 18 ILE HD1% A 14 TRP HE1 1.0 . 5.75 153 134 A 18 ILE HG2% A 14 TRP HZ2 1.0 . 6.34 154 135 A 18 ILE HD1% A 14 TRP HZ2 1.0 . 6.03 155 136 A 15 GLU H A 15 GLU HB2 1.0 . 3.56 156 136 A 15 GLU H A 15 GLU HB3 1.0 . 3.56 157 137 A 15 GLU H A 15 GLU HG2 1.0 . 4.98 158 137 A 15 GLU H A 15 GLU HG3 1.0 . 4.98 159 138 A 16 GLY H A 15 GLU H 1.0 . 3.08 160 139 A 15 GLU HA A 18 ILE H 1.0 . 3.79 161 140 A 15 GLU HA A 18 ILE HB 1.0 . 4.26 162 141 A 15 GLU HA A 18 ILE HG2% 1.0 . 5.57 163 142 A 15 GLU HA A 18 ILE HG1x 1.0 . 5.50 164 143 A 15 GLU HA A 18 ILE HD1% 1.0 . 5.19 165 144 A 16 GLY H A 15 GLU HB2 1.0 . 4.27 166 144 A 16 GLY H A 15 GLU HB3 1.0 . 4.27 167 145 A 16 GLY H A 15 GLU HG2 1.0 . 6.38 168 145 A 16 GLY H A 15 GLU HG3 1.0 . 6.38 169 146 A 16 GLY H A 18 ILE H 1.0 . 4.07 170 147 A 16 GLY HA2 A 19 ASP HBx 1.0 . 5.66 171 147 A 16 GLY HA2 A 19 ASP HBy 1.0 . 5.66 172 148 A 16 GLY HA3 A 19 ASP HBx 1.0 . 6.38 173 148 A 19 ASP HBy A 16 GLY HA3 1.0 . 6.38 174 149 A 17 MET H A 17 MET HBx 1.0 . 3.77 175 149 A 17 MET HBy A 17 MET H 1.0 . 3.77 176 150 A 17 MET H A 17 MET HG2 1.0 . 4.26 177 151 A 17 MET H A 17 MET HG3 1.0 . 4.51 178 152 A 18 ILE H A 17 MET H 1.0 . 3.05 179 153 A 17 MET HG3 A 17 MET HA 1.0 . 4.17 180 154 A 18 ILE H A 17 MET HA 1.0 . 3.36 181 155 A 17 MET HA A 19 ASP H 1.0 . 4.76 182 156 A 18 ILE H A 17 MET HBx 1.0 . 4.33 183 156 A 17 MET HBy A 18 ILE H 1.0 . 4.33 184 157 A 18 ILE H A 18 ILE HB 1.0 . 2.90 185 158 A 18 ILE HG2% A 18 ILE H 1.0 . 4.36 186 159 A 18 ILE H A 18 ILE HG1y 1.0 . 3.89 187 160 A 18 ILE H A 18 ILE HG1x 1.0 . 3.52 188 161 A 18 ILE HD1% A 18 ILE H 1.0 . 5.54 189 162 A 18 ILE H A 19 ASP H 1.0 . 2.99 190 163 A 18 ILE HA A 18 ILE HD1% 1.0 . 4.30 191 164 A 18 ILE HB A 19 ASP H 1.0 . 3.05 192 165 A 18 ILE HG2% A 19 ASP H 1.0 . 4.73 193 166 A 18 ILE HD1% A 19 ASP H 1.0 . 6.53 194 167 A 19 ASP HA A 20 GLY H 1.0 . 3.76 stop_ save_