data_nef_c30305_5w4s 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 5W4S 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 32 MET O 3 2 CA CA 1 33 ASP OD1 3 1 CA CA 1 33 ASP OD1 3 2 CA CA 1 33 ASP OD2 3 1 CA CA 1 39 ASP OD2 3 1 CA CA 1 92 ASP OD1 3 1 CA CA 1 92 ASP OD2 3 1 CA CA 1 92 ASP OD2 3 2 CA CA 1 93 TRP O 3 1 CA CA 1 94 ASP OD1 3 1 CA CA 1 94 ASP OD1 3 2 CA CA 1 94 ASP OD2 3 2 CA CA 1 100 ASP OD2 3 2 CA CA 2 1 ACE C 2 2 ASP N 2 9 PHE C 2 10 SEP N 2 10 SEP C 2 11 TYR N 2 11 TYR C 2 12 NH2 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 155 HIS start . . 2 A 156 THR middle . . 3 A 157 GLU middle . . 4 A 158 LYS middle . . 5 A 159 ARG middle . . 6 A 160 GLY middle . false 7 A 161 ARG middle . . 8 A 162 ILE middle . . 9 A 163 TYR middle . . 10 A 164 LEU middle . . 11 A 165 LYS middle . . 12 A 166 ALA middle . . 13 A 167 GLU middle . . 14 A 168 VAL middle . . 15 A 169 THR middle . . 16 A 170 ASP middle . . 17 A 171 GLU middle . . 18 A 172 LYS middle . . 19 A 173 LEU middle . . 20 A 174 HIS middle . . 21 A 175 VAL middle . . 22 A 176 THR middle . . 23 A 177 VAL middle . . 24 A 178 ARG middle . . 25 A 179 ASP middle . . 26 A 180 ALA middle . . 27 A 181 LYS middle . . 28 A 182 ASN middle . . 29 A 183 LEU middle . . 30 A 184 ILE middle . . 31 A 185 PRO middle . false 32 A 186 MET middle . . 33 A 187 ASP middle . . 34 A 188 PRO middle . false 35 A 189 ASN middle . . 36 A 190 GLY middle . false 37 A 191 LEU middle . . 38 A 192 SER middle . . 39 A 193 ASP middle . . 40 A 194 PRO middle . false 41 A 195 TYR middle . . 42 A 196 VAL middle . . 43 A 197 LYS middle . . 44 A 198 LEU middle . . 45 A 199 LYS middle . . 46 A 200 LEU middle . . 47 A 201 ILE middle . . 48 A 202 PRO middle . true 49 A 203 ASP middle . . 50 A 204 PRO middle . false 51 A 205 LYS middle . . 52 A 206 ASN middle . . 53 A 207 GLU middle . . 54 A 208 SER middle . . 55 A 209 LYS middle . . 56 A 210 GLN middle . . 57 A 211 LYS middle . . 58 A 212 THR middle . . 59 A 213 LYS middle . . 60 A 214 THR middle . . 61 A 215 ILE middle . . 62 A 216 ARG middle . . 63 A 217 SER middle . . 64 A 218 THR middle . . 65 A 219 LEU middle . . 66 A 220 ASN middle . . 67 A 221 PRO middle . false 68 A 222 GLN middle . . 69 A 223 TRP middle . . 70 A 224 ASN middle . . 71 A 225 GLU middle . . 72 A 226 SER middle . . 73 A 227 PHE middle . . 74 A 228 THR middle . . 75 A 229 PHE middle . . 76 A 230 LYS middle . . 77 A 231 LEU middle . . 78 A 232 LYS middle . . 79 A 233 PRO middle . false 80 A 234 SER middle . . 81 A 235 ASP middle . . 82 A 236 LYS middle . . 83 A 237 ASP middle . . 84 A 238 ARG middle . . 85 A 239 ARG middle . . 86 A 240 LEU middle . . 87 A 241 SER middle . . 88 A 242 VAL middle . . 89 A 243 GLU middle . . 90 A 244 ILE middle . . 91 A 245 TRP middle . . 92 A 246 ASP middle . . 93 A 247 TRP middle . . 94 A 248 ASP middle . . 95 A 249 ARG middle . . 96 A 250 THR middle . . 97 A 251 THR middle . . 98 A 252 ARG middle . . 99 A 253 ASN middle . . 100 A 254 ASP middle . . 101 A 255 PHE middle . . 102 A 256 MET middle . . 103 A 257 GLY middle . false 104 A 258 SER middle . . 105 A 259 LEU middle . . 106 A 260 SER middle . . 107 A 261 PHE middle . . 108 A 262 GLY middle . false 109 A 263 VAL middle . . 110 A 264 SER middle . . 111 A 265 GLU middle . . 112 A 266 LEU middle . . 113 A 267 MET middle . . 114 A 268 LYS middle . . 115 A 269 MET middle . . 116 A 270 PRO middle . false 117 A 271 ALA middle . . 118 A 272 SER middle . . 119 A 273 GLY middle . false 120 A 274 TRP middle . . 121 A 275 TYR middle . . 122 A 276 LYS middle . . 123 A 277 LEU middle . . 124 A 278 LEU middle . . 125 A 279 ASN middle . . 126 A 280 GLN middle . . 127 A 281 GLU middle . . 128 A 282 GLU middle . . 129 A 283 GLY middle . false 130 A 284 GLU middle . . 131 A 285 TYR middle . . 132 A 286 TYR middle . . 133 A 287 ASN middle . . 134 A 288 VAL middle . . 135 A 289 PRO middle . false 136 A 290 ILE middle . . 137 A 291 PRO middle . false 138 A 292 GLU middle . . 139 A 293 GLY end . false 140 B 648 ACE start . . 141 B 649 ASP middle -H2 . 142 B 650 GLN middle . . 143 B 651 SER middle . . 144 B 652 ASP middle . . 145 B 653 PHE middle . . 146 B 654 GLU middle . . 147 B 655 GLY middle . false 148 B 656 PHE middle -OXT . 149 B 657 SEP middle -H2,-OXT . 150 B 658 TYR middle -H2,-OXT . 151 B 659 NH2 end . . 152 C 1 CA . . . 153 C 2 CA . . . 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 B 648 ACE H H 1 2.011 0.000 B 649 ASP H H 1 8.263 0.003 B 649 ASP HA H 1 4.548 0.006 B 649 ASP HBy H 1 2.652 0.004 B 649 ASP HBx H 1 2.582 0.008 B 650 GLN H H 1 8.471 0.001 B 650 GLN HA H 1 4.333 0.003 B 650 GLN HBy H 1 2.13 0.001 B 650 GLN HBx H 1 1.967 0.004 B 650 GLN HE2y H 1 7.518 0.002 B 650 GLN HE2x H 1 6.789 0.001 B 650 GLN HGx H 1 2.331 0.003 B 650 GLN HGy H 1 2.331 0.003 B 651 SER H H 1 8.395 0.001 B 651 SER HA H 1 4.35 0.003 B 651 SER HBy H 1 3.806 0.005 B 651 SER HBx H 1 3.772 0.002 B 652 ASP H H 1 8.276 0.003 B 652 ASP HA H 1 4.552 0.003 B 652 ASP HBy H 1 2.557 0.011 B 652 ASP HBx H 1 2.501 0.004 B 653 PHE H H 1 8.063 0.003 B 653 PHE HA H 1 4.553 0.006 B 653 PHE HBy H 1 3.093 0.005 B 653 PHE HBx H 1 2.997 0.009 B 653 PHE HDx H 1 7.16 0.011 B 653 PHE HDy H 1 7.16 0.011 B 653 PHE HEy H 1 7.252 0.013 B 653 PHE HEx H 1 6.779 0.001 B 654 GLU H H 1 8.232 0.002 B 654 GLU HA H 1 4.178 0.002 B 654 GLU HBy H 1 1.939 0.004 B 654 GLU HBx H 1 1.842 0.004 B 654 GLU HGx H 1 2.131 0.002 B 654 GLU HGy H 1 2.131 0.002 B 655 GLY H H 1 7.882 0.008 B 655 GLY HAy H 1 3.83 0.001 B 655 GLY HAx H 1 3.732 0.002 B 656 PHE H H 1 7.974 0.004 B 656 PHE HA H 1 4.561 0.006 B 656 PHE HBy H 1 2.982 0.003 B 656 PHE HBx H 1 2.871 0.004 B 656 PHE HDx H 1 7.137 0.003 B 656 PHE HDy H 1 7.137 0.003 B 656 PHE HEy H 1 7.229 0.004 B 656 PHE HEx H 1 6.82 0.006 B 657 SEP H H 1 8.574 0.005 B 657 SEP HA H 1 4.492 0.002 B 657 SEP HBy H 1 3.919 0.002 B 658 TYR H H 1 8.24 0.003 B 658 TYR HA H 1 4.426 0.002 B 658 TYR HBy H 1 2.985 0.002 B 658 TYR HBx H 1 2.878 0.005 B 658 TYR HDx H 1 7.09 0.003 B 658 TYR HDy H 1 7.09 0.003 B 658 TYR HEy H 1 7.237 0.002 B 658 TYR HEx H 1 6.777 0.006 B 659 NH2 HNy H 1 7.383 0.003 B 659 NH2 HNx H 1 6.921 0.003 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 save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin undefined save_