data_nef_c15301_2jqr 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 1YCC PDB 1AYF BMRB 7390 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 33 CYS SG 2 77 CYS SG 1 23 HIS NE2 3 1 HEC FE 1 85 MET SD 3 1 HEC FE 2 43 CYS SG 4 1 FES FE1 2 49 CYS SG 4 1 FES FE1 2 52 CYS SG 4 1 FES FE2 2 89 CYS SG 4 1 FES FE2 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 -4 THR start . . 2 A -3 GLU middle . . 3 A -2 PHE middle . . 4 A -1 LYS middle . . 5 A 0 ALA middle . . 6 A 1 GLY middle . false 7 A 2 SER middle . . 8 A 3 ALA middle . . 9 A 4 LYS middle . . 10 A 5 LYS middle . . 11 A 6 GLY middle . false 12 A 7 ALA middle . . 13 A 8 THR middle . . 14 A 9 LEU middle . . 15 A 10 PHE middle . . 16 A 11 LYS middle . . 17 A 12 THR middle . . 18 A 13 ARG middle . . 19 A 14 CYS middle . . 20 A 15 LEU middle . . 21 A 16 GLN middle . . 22 A 17 CYS middle . . 23 A 18 HIS middle -HE2 . 24 A 19 THR middle . . 25 A 20 VAL middle . . 26 A 21 GLU middle . . 27 A 22 LYS middle . . 28 A 23 GLY middle . false 29 A 24 GLY middle . false 30 A 25 PRO middle . false 31 A 26 HIS middle . . 32 A 27 LYS middle . . 33 A 28 CYS middle -HG . 34 A 29 GLY middle . false 35 A 30 PRO middle . false 36 A 31 ASN middle . . 37 A 32 LEU middle . . 38 A 33 HIS middle . . 39 A 34 GLY middle . false 40 A 35 ILE middle . . 41 A 36 PHE middle . . 42 A 37 GLY middle . false 43 A 38 ARG middle . . 44 A 39 HIS middle . . 45 A 40 SER middle . . 46 A 41 GLY middle . false 47 A 42 GLN middle . . 48 A 43 ALA middle . . 49 A 44 GLU middle . . 50 A 45 GLY middle . false 51 A 46 TYR middle . . 52 A 47 SER middle . . 53 A 48 TYR middle . . 54 A 49 THR middle . . 55 A 50 ASP middle . . 56 A 51 ALA middle . . 57 A 52 ASN middle . . 58 A 53 ILE middle . . 59 A 54 LYS middle . . 60 A 55 LYS middle . . 61 A 56 ASN middle . . 62 A 57 VAL middle . . 63 A 58 LEU middle . . 64 A 59 TRP middle . . 65 A 60 ASP middle . . 66 A 61 GLU middle . . 67 A 62 ASN middle . . 68 A 63 ASN middle . . 69 A 64 MET middle . . 70 A 65 SER middle . . 71 A 66 GLU middle . . 72 A 67 TYR middle . . 73 A 68 LEU middle . . 74 A 69 THR middle . . 75 A 70 ASN middle . . 76 A 71 PRO middle . false 77 A 72 LYS middle . . 78 A 73 LYS middle . . 79 A 74 TYR middle . . 80 A 75 ILE middle . . 81 A 76 PRO middle . false 82 A 77 GLY middle . false 83 A 78 THR middle . . 84 A 79 LYS middle . . 85 A 80 MET middle . . 86 A 81 ALA middle . . 87 A 82 PHE middle . . 88 A 83 GLY middle . false 89 A 84 GLY middle . false 90 A 85 LEU middle . . 91 A 86 LYS middle . . 92 A 87 LYS middle . . 93 A 88 GLU middle . . 94 A 89 LYS middle . . 95 A 90 ASP middle . . 96 A 91 ARG middle . . 97 A 92 ASN middle . . 98 A 93 ASP middle . . 99 A 94 LEU middle . . 100 A 95 ILE middle . . 101 A 96 THR middle . . 102 A 97 TYR middle . . 103 A 98 LEU middle . . 104 A 99 LYS middle . . 105 A 100 LYS middle . . 106 A 101 ALA middle . . 107 A 102 THR middle . . 108 A 103 GLU end . . 109 B 4 GLU start . . 110 B 5 ASP middle . . 111 B 6 LYS middle . . 112 B 7 ILE middle . . 113 B 8 THR middle . . 114 B 9 VAL middle . . 115 B 10 HIS middle . . 116 B 11 PHE middle . . 117 B 12 ILE middle . . 118 B 13 ASN middle . . 119 B 14 ARG middle . . 120 B 15 ASP middle . . 121 B 16 GLY middle . false 122 B 17 GLU middle . . 123 B 18 THR middle . . 124 B 19 LEU middle . . 125 B 20 THR middle . . 126 B 21 THR middle . . 127 B 22 LYS middle . . 128 B 23 GLY middle . false 129 B 24 LYS middle . . 130 B 25 ILE middle . . 131 B 26 GLY middle . false 132 B 27 ASP middle . . 133 B 28 SER middle . . 134 B 29 LEU middle . . 135 B 30 LEU middle . . 136 B 31 ASP middle . . 137 B 32 VAL middle . . 138 B 33 VAL middle . . 139 B 34 VAL middle . . 140 B 35 GLN middle . . 141 B 36 ASN middle . . 142 B 37 ASN middle . . 143 B 38 LEU middle . . 144 B 39 ASP middle . . 145 B 40 ILE middle . . 146 B 41 ASP middle . . 147 B 42 GLY middle . false 148 B 43 PHE middle . . 149 B 44 GLY middle . false 150 B 45 ALA middle . . 151 B 46 CYS middle -HG . 152 B 47 GLU middle . . 153 B 48 GLY middle . false 154 B 49 THR middle . . 155 B 50 LEU middle . . 156 B 51 ALA middle . . 157 B 52 CYS middle -HG . 158 B 53 SER middle . . 159 B 54 THR middle . . 160 B 55 CYS middle -HG . 161 B 56 HIS middle . . 162 B 57 LEU middle . . 163 B 58 ILE middle . . 164 B 59 PHE middle . . 165 B 60 GLU middle . . 166 B 61 GLN middle . . 167 B 62 HIS middle . . 168 B 63 ILE middle . . 169 B 64 PHE middle . . 170 B 65 GLU middle . . 171 B 66 LYS middle . . 172 B 67 LEU middle . . 173 B 68 GLU middle . . 174 B 69 ALA middle . . 175 B 70 ILE middle . . 176 B 71 THR middle . . 177 B 72 ASP middle . . 178 B 73 GLU middle . . 179 B 74 GLU middle . . 180 B 75 ASN middle . . 181 B 76 ASP middle . . 182 B 77 MET middle . . 183 B 78 LEU middle . . 184 B 79 ASP middle . . 185 B 80 CYS middle -HG . 186 B 81 ALA middle . . 187 B 82 TYR middle . . 188 B 83 GLY middle . false 189 B 84 LEU middle . . 190 B 85 THR middle . . 191 B 86 ASP middle . . 192 B 87 ARG middle . . 193 B 88 SER middle . . 194 B 89 ARG middle . . 195 B 90 LEU middle . . 196 B 91 GLY middle . false 197 B 92 CYS middle -HG . 198 B 93 GLN middle . . 199 B 94 ILE middle . . 200 B 95 SER middle . . 201 B 96 LEU middle . . 202 B 97 THR middle . . 203 B 98 LYS middle . . 204 B 99 ALA middle . . 205 B 100 MET middle . . 206 B 101 ASP middle . . 207 B 102 ASN middle . . 208 B 103 MET middle . . 209 B 104 THR middle . . 210 B 105 VAL middle . . 211 B 106 ARG middle . . 212 B 107 VAL middle . . 213 B 108 PRO end . false 214 D 1 HEC . . . 215 C 1 FES . . . stop_ save_ save_Adx_oxidized_CL _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode Adx_oxidized_CL 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 B 5 ASP H H 1 8.268 0.005 B 5 ASP N N 15 121.37 0.1 B 6 LYS H H 1 7.759 0.005 B 6 LYS N N 15 118.63 0.1 B 7 ILE H H 1 8.750 0.005 B 7 ILE N N 15 117.15 0.1 B 8 THR H H 1 8.532 0.005 B 8 THR N N 15 120.57 0.1 B 9 VAL H H 1 8.346 0.005 B 9 VAL N N 15 124.04 0.1 B 10 HIS H H 1 8.335 0.005 B 10 HIS N N 15 124.62 0.1 B 11 PHE H H 1 9.407 0.005 B 11 PHE N N 15 121.92 0.1 B 12 ILE H H 1 8.919 0.005 B 12 ILE N N 15 122.54 0.1 B 13 ASN H H 1 8.713 0.005 B 13 ASN N N 15 124.60 0.1 B 14 ARG H H 1 8.340 0.005 B 14 ARG N N 15 119.35 0.1 B 15 ASP H H 1 7.521 0.005 B 15 ASP N N 15 115.93 0.1 B 16 GLY H H 1 7.982 0.005 B 16 GLY N N 15 107.93 0.1 B 17 GLU H H 1 7.850 0.005 B 17 GLU N N 15 122.03 0.1 B 18 THR H H 1 8.516 0.005 B 18 THR N N 15 118.55 0.1 B 19 LEU H H 1 9.844 0.005 B 19 LEU N N 15 130.88 0.1 B 20 THR H H 1 8.682 0.005 B 20 THR N N 15 122.39 0.1 B 21 THR H H 1 8.628 0.005 B 21 THR N N 15 122.31 0.1 B 22 LYS H H 1 7.803 0.005 B 22 LYS N N 15 117.74 0.1 B 23 GLY H H 1 8.631 0.005 B 23 GLY N N 15 106.52 0.1 B 24 LYS H H 1 8.678 0.005 B 24 LYS N N 15 121.36 0.1 B 25 ILE H H 1 8.159 0.005 B 25 ILE N N 15 122.37 0.1 B 26 GLY H H 1 8.550 0.005 B 26 GLY N N 15 116.33 0.1 B 27 ASP H H 1 8.010 0.005 B 27 ASP N N 15 122.87 0.1 B 28 SER H H 1 9.518 0.005 B 28 SER N N 15 117.37 0.1 B 29 LEU H H 1 7.877 0.005 B 29 LEU N N 15 118.18 0.1 B 31 ASP H H 1 7.706 0.005 B 31 ASP N N 15 120.39 0.1 B 32 VAL H H 1 7.567 0.005 B 32 VAL N N 15 116.40 0.1 B 33 VAL H H 1 7.149 0.005 B 33 VAL N N 15 120.49 0.1 B 34 VAL H H 1 8.274 0.005 B 34 VAL N N 15 117.91 0.1 B 35 GLN H H 1 8.990 0.005 B 35 GLN N N 15 118.10 0.1 B 36 ASN H H 1 6.905 0.005 B 36 ASN N N 15 111.68 0.1 B 37 ASN H H 1 7.628 0.005 B 37 ASN N N 15 116.72 0.1 B 38 LEU H H 1 7.598 0.005 B 38 LEU N N 15 114.93 0.1 B 39 ASP H H 1 8.426 0.005 B 39 ASP N N 15 122.40 0.1 B 40 ILE H H 1 7.404 0.005 B 40 ILE N N 15 123.20 0.1 B 41 ASP H H 1 8.353 0.005 B 41 ASP N N 15 127.19 0.1 B 42 GLY H H 1 8.901 0.005 B 42 GLY N N 15 113.85 0.1 B 43 PHE H H 1 7.476 0.005 B 43 PHE N N 15 120.59 0.1 B 58 ILE H H 1 8.396 0.005 B 58 ILE N N 15 118.92 0.1 B 59 PHE H H 1 8.511 0.005 B 59 PHE N N 15 127.64 0.1 B 60 GLU H H 1 9.034 0.005 B 60 GLU N N 15 118.94 0.1 B 61 GLN H H 1 9.443 0.005 B 61 GLN N N 15 125.11 0.1 B 62 HIS H H 1 8.235 0.005 B 62 HIS N N 15 112.16 0.1 B 63 ILE H H 1 6.126 0.005 B 63 ILE N N 15 119.24 0.1 B 64 PHE H H 1 8.491 0.005 B 64 PHE N N 15 119.60 0.1 B 65 GLU H H 1 7.794 0.005 B 65 GLU N N 15 112.50 0.1 B 66 LYS H H 1 7.149 0.005 B 66 LYS N N 15 116.41 0.1 B 67 LEU H H 1 6.539 0.005 B 67 LEU N N 15 118.84 0.1 B 68 GLU H H 1 9.120 0.005 B 68 GLU N N 15 121.86 0.1 B 69 ALA H H 1 8.069 0.005 B 69 ALA N N 15 123.36 0.1 B 70 ILE H H 1 8.277 0.005 B 70 ILE N N 15 124.58 0.1 B 71 THR H H 1 7.708 0.005 B 71 THR N N 15 117.41 0.1 B 72 ASP H H 1 8.789 0.005 B 72 ASP N N 15 121.90 0.1 B 73 GLU H H 1 8.725 0.005 B 73 GLU N N 15 117.12 0.1 B 74 GLU H H 1 7.272 0.005 B 74 GLU N N 15 119.15 0.1 B 75 ASN H H 1 8.179 0.005 B 75 ASN N N 15 118.32 0.1 B 76 ASP H H 1 8.138 0.005 B 76 ASP N N 15 117.11 0.1 B 77 MET H H 1 6.967 0.005 B 77 MET N N 15 116.20 0.1 B 80 CYS H H 1 6.846 0.005 B 80 CYS N N 15 117.51 0.1 B 82 TYR H H 1 8.128 0.005 B 82 TYR N N 15 122.24 0.1 B 83 GLY H H 1 8.356 0.005 B 83 GLY N N 15 112.79 0.1 B 85 THR H H 1 8.683 0.005 B 85 THR N N 15 117.03 0.1 B 86 ASP H H 1 8.340 0.005 B 86 ASP N N 15 117.01 0.1 B 87 ARG H H 1 7.935 0.005 B 87 ARG N N 15 119.63 0.1 B 88 SER H H 1 6.684 0.005 B 88 SER N N 15 119.19 0.1 B 89 ARG H H 1 8.981 0.005 B 89 ARG N N 15 116.65 0.1 B 95 SER H H 1 7.850 0.005 B 95 SER N N 15 120.61 0.1 B 96 LEU H H 1 8.879 0.005 B 96 LEU N N 15 121.44 0.1 B 97 THR H H 1 7.623 0.005 B 97 THR N N 15 113.52 0.1 B 98 LYS H H 1 8.884 0.005 B 98 LYS N N 15 120.07 0.1 B 99 ALA H H 1 7.702 0.005 B 99 ALA N N 15 119.52 0.1 B 100 MET H H 1 7.418 0.005 B 100 MET N N 15 115.22 0.1 B 101 ASP H H 1 7.125 0.005 B 101 ASP N N 15 117.65 0.1 B 102 ASN H H 1 9.890 0.005 B 102 ASN N N 15 122.68 0.1 B 103 MET H H 1 8.266 0.005 B 103 MET N N 15 117.68 0.1 B 104 THR H H 1 8.371 0.005 B 104 THR N N 15 116.04 0.1 B 105 VAL H H 1 8.904 0.005 B 105 VAL N N 15 121.95 0.1 B 106 ARG H H 1 8.189 0.005 B 106 ARG N N 15 120.61 0.1 B 107 VAL H H 1 8.285 0.005 B 107 VAL N N 15 125.57 0.1 stop_ save_ save_Cc_oxdized_CL _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode Cc_oxdized_CL 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 2 SER H H 1 9.225 0.005 A 2 SER N N 15 120.09 0.1 A 6 GLY H H 1 8.515 0.005 A 6 GLY N N 15 107.37 0.1 A 7 ALA H H 1 7.879 0.005 A 7 ALA N N 15 124.68 0.1 A 9 LEU H H 1 7.614 0.005 A 9 LEU N N 15 123.06 0.1 A 10 PHE H H 1 8.407 0.005 A 10 PHE N N 15 119.65 0.1 A 15 LEU H H 1 7.950 0.005 A 15 LEU N N 15 122.95 0.1 A 16 GLN H H 1 9.840 0.005 A 16 GLN N N 15 117.87 0.1 A 18 HIS H H 1 11.219 0.005 A 18 HIS N N 15 119.52 0.1 A 19 THR H H 1 10.266 0.005 A 19 THR N N 15 110.43 0.1 A 20 VAL H H 1 8.422 0.005 A 20 VAL N N 15 109.56 0.1 A 22 LYS H H 1 8.845 0.005 A 22 LYS N N 15 125.73 0.1 A 23 GLY H H 1 9.484 0.005 A 23 GLY N N 15 114.46 0.1 A 24 GLY H H 1 8.219 0.005 A 24 GLY N N 15 108.50 0.1 A 27 LYS H H 1 8.208 0.005 A 27 LYS N N 15 125.84 0.1 A 31 ASN H H 1 11.594 0.005 A 31 ASN N N 15 127.31 0.1 A 32 LEU H H 1 9.526 0.005 A 32 LEU N N 15 122.15 0.1 A 37 GLY H H 1 8.598 0.005 A 37 GLY N N 15 109.62 0.1 A 39 HIS H H 1 7.770 0.005 A 39 HIS N N 15 115.45 0.1 A 40 SER H H 1 8.501 0.005 A 40 SER N N 15 115.18 0.1 A 41 GLY H H 1 8.668 0.005 A 41 GLY N N 15 109.08 0.1 A 43 ALA H H 1 7.966 0.005 A 43 ALA N N 15 124.38 0.1 A 44 GLU H H 1 8.718 0.005 A 44 GLU N N 15 125.17 0.1 A 46 TYR H H 1 6.671 0.005 A 46 TYR N N 15 119.04 0.1 A 47 SER H H 1 6.389 0.005 A 47 SER N N 15 122.05 0.1 A 48 TYR H H 1 7.457 0.005 A 48 TYR N N 15 123.90 0.1 A 49 THR H H 1 9.402 0.005 A 49 THR N N 15 111.89 0.1 A 50 ASP H H 1 8.406 0.005 A 50 ASP N N 15 120.45 0.1 A 51 ALA H H 1 7.946 0.005 A 51 ALA N N 15 119.19 0.1 A 52 ASN H H 1 8.206 0.005 A 52 ASN N N 15 117.67 0.1 A 53 ILE H H 1 7.471 0.005 A 53 ILE N N 15 120.64 0.1 A 54 LYS H H 1 8.969 0.005 A 54 LYS N N 15 119.17 0.1 A 55 LYS H H 1 7.236 0.005 A 55 LYS N N 15 117.80 0.1 A 56 ASN H H 1 7.024 0.005 A 56 ASN N N 15 111.53 0.1 A 57 VAL H H 1 7.137 0.005 A 57 VAL N N 15 113.35 0.1 A 58 LEU H H 1 8.169 0.005 A 58 LEU N N 15 127.63 0.1 A 59 TRP H H 1 7.658 0.005 A 59 TRP N N 15 128.18 0.1 A 61 GLU H H 1 9.897 0.005 A 61 GLU N N 15 116.02 0.1 A 62 ASN H H 1 7.981 0.005 A 62 ASN N N 15 115.06 0.1 A 63 ASN H H 1 9.246 0.005 A 63 ASN N N 15 121.72 0.1 A 64 MET H H 1 8.683 0.005 A 64 MET N N 15 120.86 0.1 A 65 SER H H 1 7.238 0.005 A 65 SER N N 15 113.34 0.1 A 66 GLU H H 1 7.438 0.005 A 66 GLU N N 15 120.68 0.1 A 67 TYR H H 1 8.296 0.005 A 67 TYR N N 15 122.06 0.1 A 69 THR H H 1 7.219 0.005 A 69 THR N N 15 115.37 0.1 A 70 ASN H H 1 6.717 0.005 A 70 ASN N N 15 108.38 0.1 A 72 LYS H H 1 9.543 0.005 A 72 LYS N N 15 115.05 0.1 A 73 LYS H H 1 7.785 0.005 A 73 LYS N N 15 118.53 0.1 A 74 TYR H H 1 8.024 0.005 A 74 TYR N N 15 119.88 0.1 A 75 ILE H H 1 9.419 0.005 A 75 ILE N N 15 118.03 0.1 A 77 GLY H H 1 9.330 0.005 A 77 GLY N N 15 111.77 0.1 A 78 THR H H 1 9.014 0.005 A 78 THR N N 15 115.12 0.1 A 82 PHE H H 1 8.760 0.005 A 82 PHE N N 15 122.22 0.1 A 86 LYS H H 1 8.109 0.005 A 86 LYS N N 15 122.13 0.1 A 88 GLU H H 1 8.789 0.005 A 88 GLU N N 15 128.89 0.1 A 91 ARG H H 1 7.042 0.005 A 91 ARG N N 15 117.37 0.1 A 92 ASN H H 1 8.336 0.005 A 92 ASN N N 15 117.24 0.1 A 93 ASP H H 1 8.330 0.005 A 93 ASP N N 15 125.10 0.1 A 94 LEU H H 1 8.179 0.005 A 94 LEU N N 15 120.21 0.1 A 95 ILE H H 1 8.513 0.005 A 95 ILE N N 15 119.35 0.1 A 96 THR H H 1 7.782 0.005 A 96 THR N N 15 117.31 0.1 A 97 TYR H H 1 7.443 0.005 A 97 TYR N N 15 119.21 0.1 A 98 LEU H H 1 8.857 0.005 A 98 LEU N N 15 119.70 0.1 A 99 LYS H H 1 8.537 0.005 A 99 LYS N N 15 120.43 0.1 A 100 LYS H H 1 6.265 0.005 A 100 LYS N N 15 115.36 0.1 A 101 ALA H H 1 8.210 0.005 A 101 ALA N N 15 119.24 0.1 A 102 THR H H 1 7.214 0.005 A 102 THR N N 15 102.27 0.1 A 103 GLU H H 1 6.668 0.005 A 103 GLU N N 15 126.01 0.1 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 undefined save_ save_CNS/XPLOR_dipolar_coupling_3 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_3 save_