data_nef_c19823_2mlj 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 2MLJ 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 1 SER N 1 9 GLU CD 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 SER start . . 2 A 2 ILE middle . . 3 A 3 GLY middle . false 4 A 4 ASP middle . . 5 A 5 SER middle . . 6 A 6 GLY middle . false 7 A 7 LEU middle . . 8 A 8 ARG middle . . 9 A 9 GLU middle . . 10 A 10 SER middle . . 11 A 11 MET middle . . 12 A 12 SER middle . . 13 A 13 SER middle . . 14 A 14 GLN middle . . 15 A 15 THR middle . . 16 A 16 TYR middle . . 17 A 17 TRP middle . . 18 A 18 PRO end . false 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 SER H1 H 1 7.074 0.003 A 1 SER HA H 1 4.581 0.005 A 1 SER HBx H 1 3.995 0.001 A 1 SER HBy H 1 4.191 0.005 A 2 ILE H H 1 9.084 0.006 A 2 ILE HA H 1 4.891 0.001 A 2 ILE HB H 1 2.508 0.001 A 2 ILE HD11 H 1 1.156 0.004 A 2 ILE HD12 H 1 1.156 0.004 A 2 ILE HD13 H 1 1.156 0.004 A 2 ILE HG1x H 1 1.339 0.007 A 2 ILE HG1y H 1 1.478 0.009 A 2 ILE HG21 H 1 1.163 0.003 A 2 ILE HG22 H 1 1.163 0.003 A 2 ILE HG23 H 1 1.163 0.003 A 3 GLY H H 1 8.699 0.003 A 3 GLY HAy H 1 4.524 0.002 A 3 GLY HAx H 1 3.660 0.005 A 4 ASP H H 1 8.972 0.003 A 4 ASP HA H 1 5.150 0.004 A 4 ASP HBx H 1 3.077 0.004 A 4 ASP HBy H 1 3.077 0.004 A 5 SER H H 1 7.597 0.003 A 5 SER HA H 1 3.235 0.004 A 5 SER HBx H 1 3.818 0.002 A 5 SER HBy H 1 3.818 0.002 A 6 GLY H H 1 8.185 0.003 A 6 GLY HAy H 1 4.651 0.000 A 6 GLY HAx H 1 3.699 0.004 A 7 LEU H H 1 9.402 0.004 A 7 LEU HA H 1 4.838 0.001 A 7 LEU HBx H 1 2.086 0.003 A 7 LEU HBy H 1 2.086 0.003 A 7 LEU HD1% H 1 1.245 0.000 A 7 LEU HD2% H 1 1.176 0.000 A 7 LEU HG H 1 2.043 0.000 A 8 ARG H H 1 8.869 0.003 A 8 ARG HA H 1 4.003 0.001 A 8 ARG HBx H 1 1.731 0.005 A 8 ARG HBy H 1 1.866 0.005 A 8 ARG HDx H 1 3.142 0.008 A 8 ARG HDy H 1 3.174 0.000 A 8 ARG HE H 1 7.136 0.005 A 8 ARG HGx H 1 1.522 0.003 A 8 ARG HGy H 1 1.702 0.007 A 9 GLU H H 1 7.985 0.002 A 9 GLU HA H 1 3.382 0.003 A 9 GLU HBx H 1 1.324 0.004 A 9 GLU HBy H 1 1.499 0.005 A 9 GLU HGx H 1 1.228 0.004 A 9 GLU HGy H 1 1.228 0.004 A 10 SER H H 1 7.851 0.004 A 10 SER HA H 1 4.685 0.001 A 10 SER HBy H 1 4.198 0.003 A 10 SER HBx H 1 4.010 0.002 A 11 MET H H 1 8.899 0.003 A 11 MET HA H 1 4.569 0.002 A 11 MET HBx H 1 2.301 0.008 A 11 MET HBy H 1 2.301 0.008 A 11 MET HGx H 1 2.763 0.004 A 11 MET HGy H 1 2.888 0.000 A 12 SER H H 1 8.304 0.002 A 12 SER HA H 1 4.724 0.000 A 12 SER HBx H 1 3.979 0.000 A 12 SER HBy H 1 4.074 0.000 A 13 SER H H 1 7.669 0.002 A 13 SER HA H 1 4.660 0.010 A 13 SER HBy H 1 4.007 0.002 A 13 SER HBx H 1 3.870 0.005 A 14 GLN H H 1 8.919 0.003 A 14 GLN HA H 1 4.486 0.000 A 14 GLN HBx H 1 2.037 0.007 A 14 GLN HBy H 1 2.037 0.007 A 14 GLN HE2x H 1 6.994 0.002 A 14 GLN HE2y H 1 7.652 0.001 A 14 GLN HGx H 1 2.496 0.005 A 14 GLN HGy H 1 2.496 0.005 A 15 THR H H 1 7.464 0.004 A 15 THR HA H 1 4.646 0.003 A 15 THR HB H 1 4.207 0.004 A 15 THR HG2% H 1 1.217 0.003 A 16 TYR H H 1 8.053 0.003 A 16 TYR HA H 1 5.135 0.002 A 16 TYR HBx H 1 2.163 0.005 A 16 TYR HBy H 1 3.031 0.005 A 16 TYR HDx H 1 6.785 0.003 A 16 TYR HDy H 1 6.785 0.003 A 17 TRP H H 1 9.348 0.003 A 17 TRP HA H 1 5.487 0.003 A 17 TRP HBx H 1 3.289 0.003 A 17 TRP HBy H 1 3.730 0.002 A 17 TRP HD1 H 1 7.171 0.003 A 17 TRP HE1 H 1 10.40 0.003 A 17 TRP HE3 H 1 7.938 0.004 A 17 TRP HH2 H 1 7.434 0.000 A 17 TRP HZ2 H 1 7.777 0.003 A 17 TRP HZ3 H 1 7.275 0.004 A 18 PRO HA H 1 4.774 0.001 A 18 PRO HBx H 1 2.358 0.004 A 18 PRO HBy H 1 2.516 0.000 A 18 PRO HDx H 1 4.348 0.004 A 18 PRO HDy H 1 4.474 0.003 A 18 PRO HGx H 1 2.270 0.000 A 18 PRO HGy H 1 2.458 0.002 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 SER N A 9 GLU CD 1.0 . 1.33 2 2 A 1 SER N A 9 GLU OE1 1.0 . 2.26 3 3 A 1 SER N A 9 GLU CG 1.0 . 2.41 4 4 A 9 GLU CD A 1 SER H1 1.0 . 2.06 5 5 A 9 GLU CD A 1 SER CA 1.0 . 2.42 6 6 A 1 SER H1 A 1 SER CA 1.0 . 2.09 7 7 A 9 GLU OE1 A 1 SER CA 1.0 . 2.78 8 8 A 9 GLU OE1 A 1 SER H1 1.0 . 3.17 9 9 A 1 SER H1 A 1 SER HA 1.0 . 2.68 10 10 A 1 SER H1 A 1 SER HBx 1.0 . 2.96 11 11 A 1 SER H1 A 1 SER HBy 1.0 . 2.86 12 12 A 1 SER H1 A 2 ILE H 1.0 . 2.68 13 13 A 1 SER H1 A 3 GLY H 1.0 . 2.86 14 14 A 1 SER H1 A 9 GLU HBx 1.0 . 3.24 15 15 A 1 SER H1 A 9 GLU HGx 1.0 . 3.34 16 15 A 1 SER H1 A 9 GLU HGy 1.0 . 3.34 17 16 A 1 SER H1 A 17 TRP HA 1.0 . 2.68 18 17 A 1 SER HA A 1 SER HBy 1.0 . 2.40 19 18 A 1 SER HA A 2 ILE H 1.0 . 3.17 20 19 A 1 SER HBx A 17 TRP HZ3 1.0 . 2.65 21 20 A 1 SER HBy A 2 ILE H 1.0 . 2.55 22 21 A 1 SER HBy A 2 ILE HD11 1.0 . 4.01 23 22 A 2 ILE H A 2 ILE HA 1.0 . 2.71 24 23 A 2 ILE H A 2 ILE HG21 1.0 . 3.45 25 24 A 2 ILE H A 2 ILE HG1x 1.0 . 2.40 26 25 A 2 ILE H A 2 ILE HG1y 1.0 . 3.02 27 26 A 2 ILE H A 3 GLY H 1.0 . 2.40 28 27 A 2 ILE H A 18 PRO HDy 1.0 . 3.48 29 28 A 2 ILE HA A 2 ILE HB 1.0 . 2.40 30 29 A 2 ILE HD11 A 2 ILE HA 1.0 . 3.42 31 30 A 3 GLY H A 2 ILE HA 1.0 . 2.93 32 31 A 2 ILE HG21 A 2 ILE HB 1.0 . 3.42 33 32 A 2 ILE HG1x A 2 ILE HG1y 1.0 . 2.40 34 33 A 2 ILE HD11 A 2 ILE HG1x 1.0 . 3.42 35 34 A 2 ILE HD11 A 2 ILE HG1y 1.0 . 3.42 36 35 A 2 ILE HD11 A 14 GLN HGx 1.0 . 4.30 37 35 A 2 ILE HD11 A 14 GLN HGy 1.0 . 4.30 38 36 A 3 GLY H A 3 GLY HAy 1.0 . 2.40 39 37 A 3 GLY H A 3 GLY HAx 1.0 . 2.52 40 38 A 3 GLY HAy A 3 GLY HAx 1.0 . 2.40 41 39 A 3 GLY HAy A 4 ASP H 1.0 . 2.49 42 40 A 3 GLY HAy A 16 TYR HBx 1.0 . 2.96 43 41 A 3 GLY HAx A 4 ASP H 1.0 . 2.40 44 42 A 4 ASP H A 4 ASP HA 1.0 . 2.68 45 43 A 4 ASP H A 4 ASP HBx 1.0 . 3.78 46 43 A 4 ASP H A 4 ASP HBy 1.0 . 3.78 47 44 A 4 ASP H A 5 SER H 1.0 . 2.40 48 45 A 4 ASP HA A 4 ASP HBx 1.0 . 3.28 49 45 A 4 ASP HA A 4 ASP HBy 1.0 . 3.28 50 46 A 4 ASP HA A 5 SER H 1.0 . 2.99 51 47 A 4 ASP HA A 16 TYR HD% 1.0 . 4.65 52 48 A 5 SER H A 5 SER HA 1.0 . 2.68 53 49 A 5 SER H A 5 SER HBx 1.0 . 4.09 54 49 A 5 SER H A 5 SER HBy 1.0 . 4.09 55 50 A 16 TYR HBx A 5 SER H 1.0 . 2.93 56 51 A 5 SER H A 16 TYR HBy 1.0 . 3.11 57 52 A 5 SER HA A 5 SER HBx 1.0 . 3.28 58 52 A 5 SER HA A 5 SER HBy 1.0 . 3.28 59 53 A 5 SER HA A 6 GLY H 1.0 . 2.40 60 54 A 16 TYR HD% A 5 SER HA 1.0 . 5.83 61 55 A 6 GLY H A 5 SER HBx 1.0 . 3.56 62 55 A 5 SER HBy A 6 GLY H 1.0 . 3.56 63 56 A 6 GLY H A 6 GLY HAy 1.0 . 2.40 64 57 A 6 GLY H A 6 GLY HAx 1.0 . 2.68 65 58 A 16 TYR HD% A 6 GLY H 1.0 . 6.57 66 59 A 6 GLY HAy A 6 GLY HAx 1.0 . 2.40 67 60 A 6 GLY HAy A 7 LEU H 1.0 . 2.90 68 61 A 6 GLY HAx A 7 LEU H 1.0 . 2.40 69 62 A 7 LEU H A 7 LEU HA 1.0 . 2.71 70 63 A 7 LEU H A 7 LEU HBx 1.0 . 3.37 71 63 A 7 LEU H A 7 LEU HBy 1.0 . 3.37 72 64 A 16 TYR HD% A 7 LEU H 1.0 . 6.36 73 65 A 7 LEU HA A 7 LEU HBx 1.0 . 3.53 74 65 A 7 LEU HA A 7 LEU HBy 1.0 . 3.53 75 66 A 7 LEU HA A 8 ARG H 1.0 . 2.40 76 67 A 8 ARG H A 7 LEU HBx 1.0 . 4.40 77 67 A 7 LEU HBy A 8 ARG H 1.0 . 4.40 78 68 A 17 TRP HD1 A 7 LEU HBx 1.0 . 3.44 79 68 A 7 LEU HBy A 17 TRP HD1 1.0 . 3.44 80 69 A 8 ARG H A 8 ARG HA 1.0 . 2.68 81 70 A 8 ARG H A 8 ARG HBx 1.0 . 2.49 82 71 A 8 ARG H A 8 ARG HBy 1.0 . 2.86 83 72 A 8 ARG H A 8 ARG HGx 1.0 . 3.05 84 73 A 8 ARG H A 8 ARG HGy 1.0 . 2.93 85 74 A 16 TYR HD% A 8 ARG H 1.0 . 6.30 86 75 A 8 ARG HA A 8 ARG HBy 1.0 . 2.46 87 76 A 8 ARG HA A 9 GLU H 1.0 . 2.40 88 77 A 8 ARG HA A 16 TYR HA 1.0 . 2.40 89 78 A 16 TYR HD% A 8 ARG HA 1.0 . 5.33 90 79 A 8 ARG HBx A 8 ARG HBy 1.0 . 2.40 91 80 A 8 ARG HBy A 8 ARG HGx 1.0 . 2.74 92 81 A 8 ARG HBy A 9 GLU H 1.0 . 2.99 93 82 A 8 ARG HBy A 10 SER H 1.0 . 2.77 94 83 A 8 ARG HGx A 8 ARG HGy 1.0 . 2.40 95 84 A 8 ARG HDx A 8 ARG HE 1.0 . 2.65 96 85 A 9 GLU H A 9 GLU HA 1.0 . 2.55 97 86 A 9 GLU HBx A 9 GLU H 1.0 . 2.40 98 87 A 9 GLU H A 9 GLU HBy 1.0 . 2.99 99 88 A 9 GLU H A 9 GLU HGx 1.0 . 3.41 100 88 A 9 GLU HGy A 9 GLU H 1.0 . 3.41 101 89 A 9 GLU H A 16 TYR HA 1.0 . 2.40 102 90 A 9 GLU HA A 9 GLU HBy 1.0 . 2.40 103 91 A 10 SER H A 9 GLU HA 1.0 . 3.08 104 92 A 17 TRP HD1 A 9 GLU HA 1.0 . 3.70 105 93 A 9 GLU HA A 17 TRP HE1 1.0 . 2.46 106 94 A 9 GLU HBx A 10 SER H 1.0 . 2.74 107 95 A 10 SER H A 9 GLU HBy 1.0 . 2.96 108 96 A 10 SER H A 10 SER HA 1.0 . 2.59 109 97 A 10 SER H A 10 SER HBx 1.0 . 2.83 110 98 A 10 SER H A 13 SER HBx 1.0 . 3.33 111 99 A 10 SER HA A 11 MET H 1.0 . 2.40 112 100 A 10 SER HBx A 11 MET H 1.0 . 2.49 113 101 A 10 SER HBx A 14 GLN H 1.0 . 2.77 114 102 A 11 MET H A 10 SER HBy 1.0 . 2.52 115 103 A 10 SER HBy A 16 TYR H 1.0 . 2.40 116 104 A 11 MET H A 11 MET HA 1.0 . 2.74 117 105 A 11 MET H A 11 MET HBx 1.0 . 3.47 118 105 A 11 MET H A 11 MET HBy 1.0 . 3.47 119 106 A 11 MET H A 11 MET HGx 1.0 . 3.83 120 107 A 11 MET H A 12 SER H 1.0 . 2.43 121 108 A 11 MET HA A 11 MET HBx 1.0 . 3.59 122 108 A 11 MET HA A 11 MET HBy 1.0 . 3.59 123 109 A 11 MET HA A 12 SER H 1.0 . 3.08 124 110 A 11 MET HGx A 11 MET HGy 1.0 . 2.40 125 111 A 12 SER H A 12 SER HA 1.0 . 2.68 126 112 A 12 SER H A 12 SER HBx 1.0 . 2.93 127 113 A 12 SER H A 12 SER HBy 1.0 . 3.02 128 114 A 12 SER H A 13 SER H 1.0 . 2.40 129 115 A 13 SER H A 13 SER HA 1.0 . 2.49 130 116 A 13 SER HBx A 13 SER H 1.0 . 2.77 131 117 A 13 SER H A 13 SER HBy 1.0 . 2.77 132 118 A 14 GLN H A 13 SER HA 1.0 . 2.40 133 119 A 13 SER HBy A 15 THR H 1.0 . 2.96 134 120 A 14 GLN H A 14 GLN HA 1.0 . 2.52 135 121 A 14 GLN H A 14 GLN HBx 1.0 . 3.78 136 121 A 14 GLN H A 14 GLN HBy 1.0 . 3.78 137 122 A 14 GLN H A 14 GLN HGx 1.0 . 4.55 138 122 A 14 GLN HGy A 14 GLN H 1.0 . 4.55 139 123 A 14 GLN H A 15 THR H 1.0 . 2.40 140 124 A 15 THR H A 14 GLN HA 1.0 . 2.62 141 125 A 14 GLN HBx A 14 GLN HGx 1.0 . 4.16 142 125 A 14 GLN HBy A 14 GLN HGx 1.0 . 4.16 143 125 A 14 GLN HGy A 14 GLN HBx 1.0 . 4.16 144 125 A 14 GLN HGy A 14 GLN HBy 1.0 . 4.16 145 126 A 14 GLN HE2y A 14 GLN HE2x 1.0 . 2.40 146 127 A 15 THR H A 15 THR HA 1.0 . 2.59 147 128 A 15 THR H A 15 THR HG2% 1.0 . 3.76 148 129 A 15 THR HA A 15 THR HG2% 1.0 . 3.51 149 130 A 16 TYR H A 15 THR HA 1.0 . 2.40 150 131 A 15 THR HG2% A 15 THR HB 1.0 . 3.48 151 132 A 16 TYR H A 15 THR HB 1.0 . 2.40 152 133 A 16 TYR H A 15 THR HG2% 1.0 . 4.41 153 134 A 16 TYR HA A 16 TYR H 1.0 . 2.80 154 135 A 16 TYR HBx A 16 TYR H 1.0 . 2.40 155 136 A 16 TYR HD% A 16 TYR H 1.0 . 5.18 156 137 A 16 TYR HBx A 16 TYR HA 1.0 . 2.71 157 138 A 16 TYR HBy A 16 TYR HA 1.0 . 2.40 158 139 A 16 TYR HA A 17 TRP H 1.0 . 2.40 159 140 A 16 TYR HBx A 16 TYR HBy 1.0 . 2.40 160 141 A 16 TYR HBx A 16 TYR HD% 1.0 . 4.84 161 142 A 16 TYR HD% A 16 TYR HBy 1.0 . 4.53 162 143 A 16 TYR HBy A 17 TRP H 1.0 . 2.40 163 144 A 17 TRP HA A 17 TRP H 1.0 . 2.68 164 145 A 17 TRP H A 17 TRP HBx 1.0 . 2.40 165 146 A 17 TRP H A 17 TRP HBy 1.0 . 3.08 166 147 A 17 TRP HD1 A 17 TRP H 1.0 . 2.83 167 148 A 17 TRP HA A 17 TRP HE3 1.0 . 2.40 168 149 A 17 TRP HA A 18 PRO HDy 1.0 . 2.40 169 150 A 17 TRP HA A 18 PRO HDx 1.0 . 2.40 170 151 A 17 TRP HBx A 17 TRP HBy 1.0 . 2.40 171 152 A 17 TRP HD1 A 17 TRP HBx 1.0 . 2.40 172 153 A 17 TRP HD1 A 17 TRP HBy 1.0 . 3.70 173 154 A 17 TRP HBy A 17 TRP HE3 1.0 . 2.93 174 155 A 17 TRP HBy A 18 PRO HDx 1.0 . 2.40 175 156 A 17 TRP HD1 A 17 TRP HE1 1.0 . 2.40 176 157 A 17 TRP HZ3 A 17 TRP HE3 1.0 . 2.40 177 158 A 17 TRP HE3 A 17 TRP HH2 1.0 . 5.50 178 159 A 18 PRO HDy A 17 TRP HE3 1.0 . 2.65 179 160 A 17 TRP HE3 A 18 PRO HDx 1.0 . 2.40 180 161 A 17 TRP HE1 A 17 TRP HZ2 1.0 . 2.68 181 162 A 17 TRP HZ3 A 17 TRP HZ2 1.0 . 5.50 182 163 A 18 PRO HA A 18 PRO HBy 1.0 . 2.49 183 164 A 18 PRO HA A 18 PRO HBx 1.0 . 2.55 184 165 A 18 PRO HDy A 18 PRO HBy 1.0 . 2.46 185 166 A 18 PRO HDy A 18 PRO HGy 1.0 . 2.40 186 167 A 18 PRO HDx A 18 PRO HGy 1.0 . 2.68 stop_ save_