data_nef_c18502_2ltz 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 2LTZ 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 297 GLY start . false 2 A 298 PRO middle . false 3 A 299 LEU middle . . 4 A 300 PRO middle . false 5 A 301 PRO middle . false 6 A 302 GLY middle . false 7 A 303 TRP middle . . 8 A 304 GLU middle . . 9 A 305 ILE middle . . 10 A 306 ARG middle . . 11 A 307 ASN middle . . 12 A 308 THR middle . . 13 A 309 ALA middle . . 14 A 310 THR middle . . 15 A 311 GLY middle . false 16 A 312 ARG middle . . 17 A 313 VAL middle . . 18 A 314 TYR middle . . 19 A 315 PHE middle . . 20 A 316 VAL middle . . 21 A 317 ASP middle . . 22 A 318 HIS middle . . 23 A 319 ASN middle . . 24 A 320 ASN middle . . 25 A 321 ARG middle . . 26 A 322 THR middle . . 27 A 323 THR middle . . 28 A 324 GLN middle . . 29 A 325 PHE middle . . 30 A 326 THR middle . . 31 A 327 ASP middle . . 32 A 328 PRO middle . false 33 A 329 ARG middle . . 34 A 330 LEU middle . . 35 A 331 SER middle . . 36 A 332 ALA middle . . 37 A 333 ASN end . . 38 B 203 GLU start . . 39 B 204 LEU middle . . 40 B 205 GLU middle . . 41 B 206 SER middle . . 42 B 207 PRO middle . false 43 B 208 PRO middle . false 44 B 209 PRO middle . false 45 B 210 PRO middle . false 46 B 211 TYR middle . . 47 B 212 SER middle . . 48 B 213 ARG middle . . 49 B 214 TYR middle . . 50 B 215 PRO middle . false 51 B 216 MET middle . . 52 B 217 ASP end . . stop_ save_ save_SMURF2WW31 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode SMURF2WW31 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 297 GLY H1 H 1 8.099 0.017 A 297 GLY HAx H 1 4.123 0.020 A 298 PRO HA H 1 4.238 0.020 A 298 PRO HBx H 1 2.037 0.020 A 298 PRO HDy H 1 3.547 0.020 A 298 PRO HDx H 1 3.483 0.020 A 298 PRO HGy H 1 1.765 0.020 A 298 PRO HGx H 1 1.658 0.020 A 299 LEU H H 1 8.579 0.020 A 299 LEU HA H 1 3.854 0.002 A 299 LEU HBy H 1 1.516 0.020 A 299 LEU HBx H 1 1.319 0.020 A 299 LEU HDx% H 1 0.835 0.002 A 299 LEU HDy% H 1 0.625 0.020 A 299 LEU HG H 1 1.669 0.020 A 300 PRO HA H 1 4.515 0.020 A 300 PRO HBy H 1 2.232 0.003 A 300 PRO HBx H 1 1.682 0.003 A 300 PRO HDy H 1 3.087 0.020 A 300 PRO HDx H 1 2.518 0.020 A 300 PRO HGy H 1 1.439 0.001 A 300 PRO HGx H 1 1.036 0.020 A 301 PRO HA H 1 4.277 0.020 A 301 PRO HBx H 1 2.215 0.020 A 301 PRO HDy H 1 3.693 0.020 A 301 PRO HDx H 1 3.440 0.020 A 301 PRO HGy H 1 1.977 0.020 A 301 PRO HGx H 1 1.858 0.020 A 302 GLY H H 1 8.892 0.020 A 302 GLY HAx H 1 3.649 0.001 A 302 GLY HAy H 1 4.037 0.006 A 303 TRP H H 1 7.432 0.001 A 303 TRP HA H 1 5.881 0.002 A 303 TRP HBy H 1 3.065 0.020 A 303 TRP HBx H 1 2.904 0.001 A 303 TRP HD1 H 1 6.858 0.016 A 303 TRP HE1 H 1 10.021 0.003 A 303 TRP HE3 H 1 6.470 0.020 A 303 TRP HH2 H 1 6.850 0.020 A 303 TRP HZ2 H 1 7.165 0.020 A 303 TRP HZ3 H 1 6.473 0.020 A 304 GLU H H 1 9.291 0.001 A 304 GLU HA H 1 4.588 0.020 A 304 GLU HBy H 1 1.960 0.006 A 304 GLU HBx H 1 1.660 0.004 A 304 GLU HGy H 1 2.266 0.004 A 304 GLU HGx H 1 1.924 0.002 A 305 ILE H H 1 8.521 0.020 A 305 ILE HA H 1 4.207 0.020 A 305 ILE HB H 1 1.314 0.020 A 305 ILE HD1% H 1 0.628 0.001 A 305 ILE HG1y H 1 0.830 0.002 A 305 ILE HG1x H 1 0.731 0.020 A 305 ILE HG2% H 1 0.492 0.020 A 306 ARG H H 1 8.067 0.001 A 306 ARG HA H 1 4.187 0.006 A 306 ARG HBy H 1 1.296 0.009 A 306 ARG HBx H 1 -0.124 0.003 A 306 ARG HDy H 1 1.440 0.004 A 306 ARG HDx H 1 1.291 0.002 A 306 ARG HGy H 1 0.772 0.003 A 306 ARG HGx H 1 0.325 0.003 A 307 ASN H H 1 8.038 0.020 A 307 ASN HA H 1 5.682 0.002 A 307 ASN HBx H 1 2.199 0.020 A 307 ASN HD2y H 1 6.819 0.020 A 307 ASN HD2x H 1 6.615 0.020 A 308 THR H H 1 9.506 0.020 A 308 THR HA H 1 4.450 0.020 A 308 THR HG2% H 1 1.241 0.020 A 309 ALA HA H 1 4.037 0.020 A 309 ALA HB% H 1 1.340 0.020 A 310 THR HA H 1 4.227 0.020 A 310 THR HB H 1 4.338 0.020 A 310 THR HG2% H 1 0.984 0.001 A 311 GLY H H 1 7.818 0.001 A 311 GLY HAx H 1 3.402 0.020 A 311 GLY HAy H 1 4.141 0.020 A 312 ARG H H 1 7.299 0.020 A 312 ARG HA H 1 4.144 0.020 A 312 ARG HBy H 1 1.789 0.020 A 312 ARG HBx H 1 1.630 0.020 A 312 ARG HDy H 1 2.669 0.001 A 312 ARG HDx H 1 2.469 0.006 A 312 ARG HE H 1 6.952 0.020 A 312 ARG HGy H 1 1.470 0.001 A 312 ARG HGx H 1 1.240 0.020 A 313 VAL H H 1 8.477 0.020 A 313 VAL HA H 1 4.311 0.005 A 313 VAL HB H 1 1.717 0.020 A 313 VAL HGx% H 1 0.778 0.002 A 313 VAL HGy% H 1 0.489 0.020 A 314 TYR H H 1 8.694 0.020 A 314 TYR HA H 1 4.698 0.020 A 314 TYR HBy H 1 2.829 0.024 A 314 TYR HBx H 1 2.359 0.031 A 314 TYR HDy H 1 6.614 0.001 A 314 TYR HEy H 1 6.054 0.001 A 315 PHE H H 1 8.870 0.002 A 315 PHE HA H 1 4.877 0.020 A 315 PHE HBy H 1 3.064 0.003 A 315 PHE HBx H 1 2.927 0.005 A 315 PHE HDx H 1 6.809 0.020 A 315 PHE HEx H 1 7.016 0.003 A 315 PHE HZ H 1 7.123 0.020 A 316 VAL H H 1 9.303 0.020 A 316 VAL HA H 1 4.016 0.003 A 316 VAL HB H 1 1.588 0.020 A 316 VAL HGx% H 1 0.344 0.020 A 316 VAL HGy% H 1 0.104 0.020 A 317 ASP H H 1 8.077 0.003 A 317 ASP HA H 1 3.320 0.006 A 317 ASP HBy H 1 2.031 0.020 A 317 ASP HBx H 1 -0.182 0.006 A 318 HIS H H 1 8.590 0.020 A 318 HIS HA H 1 4.032 0.003 A 318 HIS HBy H 1 3.024 0.006 A 318 HIS HBx H 1 2.792 0.002 A 318 HIS HD1 H 1 6.637 0.020 A 318 HIS HE1 H 1 7.338 0.020 A 319 ASN H H 1 8.278 0.020 A 319 ASN HA H 1 4.102 0.002 A 319 ASN HBy H 1 2.830 0.020 A 319 ASN HBx H 1 2.355 0.020 A 319 ASN HD2y H 1 7.633 0.020 A 319 ASN HD2x H 1 7.401 0.020 A 320 ASN H H 1 6.537 0.020 A 320 ASN HA H 1 4.353 0.020 A 320 ASN HBy H 1 2.356 0.020 A 320 ASN HBx H 1 1.949 0.020 A 320 ASN HD2y H 1 8.209 0.020 A 320 ASN HD2x H 1 6.743 0.001 A 321 ARG H H 1 7.309 0.020 A 321 ARG HA H 1 1.956 0.003 A 321 ARG HBy H 1 0.629 0.020 A 321 ARG HBx H 1 0.458 0.020 A 321 ARG HDy H 1 2.753 0.020 A 321 ARG HDx H 1 1.508 0.004 A 321 ARG HGy H 1 1.161 0.020 A 321 ARG HGx H 1 0.840 0.006 A 322 THR H H 1 7.181 0.001 A 322 THR HA H 1 4.593 0.020 A 322 THR HB H 1 3.971 0.020 A 322 THR HG2% H 1 0.696 0.002 A 323 THR H H 1 7.889 0.020 A 323 THR HA H 1 5.337 0.020 A 323 THR HB H 1 3.939 0.020 A 323 THR HG1 H 1 4.854 0.001 A 323 THR HG2% H 1 0.994 0.020 A 324 GLN H H 1 8.910 0.020 A 324 GLN HA H 1 4.635 0.001 A 324 GLN HBy H 1 2.429 0.020 A 324 GLN HBx H 1 2.041 0.020 A 324 GLN HE2y H 1 7.934 0.002 A 324 GLN HE2x H 1 7.168 0.020 A 324 GLN HGy H 1 2.641 0.020 A 324 GLN HGx H 1 2.302 0.020 A 325 PHE H H 1 9.358 0.020 A 325 PHE HA H 1 4.958 0.020 A 325 PHE HBy H 1 3.319 0.020 A 325 PHE HBx H 1 2.776 0.020 A 325 PHE HDy H 1 7.502 0.020 A 325 PHE HEy H 1 6.966 0.020 A 326 THR H H 1 7.280 0.002 A 326 THR HA H 1 4.019 0.004 A 326 THR HB H 1 3.718 0.003 A 326 THR HG2% H 1 0.913 0.001 A 327 ASP H H 1 8.349 0.002 A 327 ASP HA H 1 2.431 0.002 A 327 ASP HBy H 1 2.516 0.020 A 327 ASP HBx H 1 2.356 0.013 A 328 PRO HA H 1 3.703 0.020 A 328 PRO HBy H 1 0.688 0.003 A 328 PRO HBx H 1 0.617 0.001 A 328 PRO HDy H 1 0.692 0.020 A 328 PRO HDx H 1 0.616 0.003 A 328 PRO HGy H 1 0.254 0.003 A 328 PRO HGx H 1 -0.134 0.020 A 329 ARG H H 1 8.423 0.020 A 329 ARG HA H 1 3.659 0.020 A 329 ARG HBy H 1 1.595 0.073 A 329 ARG HBx H 1 1.470 0.020 A 329 ARG HDx H 1 2.547 0.020 A 329 ARG HE H 1 8.816 0.003 A 329 ARG HGy H 1 1.338 0.020 A 329 ARG HGx H 1 0.888 0.020 A 330 LEU H H 1 6.899 0.020 A 330 LEU HA H 1 3.963 0.020 A 330 LEU HBy H 1 1.348 0.016 A 330 LEU HBx H 1 1.235 0.020 A 330 LEU HDx% H 1 0.690 0.020 A 330 LEU HDy% H 1 0.548 0.020 A 330 LEU HG H 1 1.159 0.020 A 331 SER H H 1 7.504 0.020 A 331 SER HA H 1 4.122 0.020 A 331 SER HBy H 1 2.892 0.020 A 331 SER HBx H 1 2.719 0.020 A 332 ALA H H 1 6.779 0.020 A 333 ASN H H 1 6.536 0.020 stop_ save_ save_SMAD71 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode SMAD71 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 203 GLU HBy H 1 1.789 0.020 B 203 GLU HBx H 1 1.711 0.020 B 203 GLU HGx H 1 2.011 0.020 B 204 LEU H H 1 8.250 0.020 B 204 LEU HA H 1 3.973 0.020 B 204 LEU HBy H 1 1.411 0.001 B 204 LEU HBx H 1 1.344 0.001 B 204 LEU HG H 1 0.998 0.020 B 205 GLU H H 1 8.198 0.001 B 205 GLU HA H 1 4.109 0.002 B 205 GLU HBy H 1 1.777 0.003 B 205 GLU HBx H 1 1.633 0.039 B 205 GLU HGx H 1 2.033 0.020 B 206 SER H H 1 8.238 0.003 B 206 SER HA H 1 4.506 0.020 B 206 SER HBy H 1 3.861 0.020 B 206 SER HBx H 1 3.802 0.020 B 207 PRO HA H 1 4.485 0.007 B 207 PRO HBx H 1 3.028 0.652 B 207 PRO HDx H 1 3.166 0.666 B 207 PRO HDy H 1 3.372 0.020 B 207 PRO HGx H 1 1.795 0.005 B 208 PRO HA H 1 4.475 0.020 B 208 PRO HBy H 1 0.965 0.020 B 208 PRO HBx H 1 0.327 0.020 B 208 PRO HDy H 1 2.095 0.020 B 208 PRO HDx H 1 1.658 0.002 B 209 PRO HA H 1 4.642 0.020 B 209 PRO HBx H 1 2.116 0.020 B 209 PRO HDy H 1 3.582 0.020 B 209 PRO HDx H 1 3.364 0.020 B 209 PRO HGy H 1 1.775 0.020 B 209 PRO HGx H 1 0.894 0.020 B 210 PRO HDy H 1 3.518 0.006 B 210 PRO HDx H 1 3.359 0.020 B 211 TYR H H 1 8.240 0.020 B 211 TYR HA H 1 3.551 0.020 B 211 TYR HBy H 1 2.905 0.003 B 211 TYR HBx H 1 2.817 0.005 B 211 TYR HDx H 1 6.558 0.006 B 211 TYR HDy H 1 6.558 0.006 B 211 TYR HEx H 1 6.165 0.006 B 211 TYR HEy H 1 6.165 0.006 B 212 SER H H 1 8.116 0.020 B 212 SER HA H 1 3.873 0.020 B 212 SER HBy H 1 3.791 0.020 B 212 SER HBx H 1 3.361 0.020 B 213 ARG HA H 1 3.852 0.020 B 213 ARG HE H 1 7.596 0.020 B 214 TYR HA H 1 4.443 0.020 B 214 TYR HBx H 1 2.086 0.020 B 214 TYR HDx H 1 6.925 0.020 B 214 TYR HDy H 1 6.925 0.020 B 214 TYR HEx H 1 6.548 0.020 B 214 TYR HEy H 1 6.548 0.020 B 215 PRO HDy H 1 3.526 0.008 B 215 PRO HDx H 1 3.358 0.008 stop_ 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 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 317 ASP H A 316 VAL HA 1.0 2.23910769231 7.16649230769 2 2 A 308 THR H A 307 ASN HA 1.0 2.27637692308 7.45222307692 3 3 A 307 ASN H A 306 ARG HA 1.0 2.16768461538 6.61891538462 4 4 A 308 THR H A 307 ASN HBx 1.0 2.19168461538 6.80291538462 5 5 A 306 ARG H A 314 TYR H 1.0 2.25013846154 7.25106153846 6 6 A 306 ARG H A 314 TYR H 1.0 2.17606153846 6.68313846154 7 7 A 307 ASN HA A 314 TYR H 1.0 2.22366923077 7.04813076923 8 8 A 307 ASN H A 306 ARG HBy 1.0 2.18097692308 6.72082307692 9 9 A 307 ASN H A 306 ARG HBx 1.0 2.33561538462 7.90638461538 10 10 A 306 ARG H A 315 PHE HA 1.0 2.24083846154 7.17976153846 11 11 A 306 ARG H A 305 ILE HA 1.0 2.17929230769 6.70790769231 12 12 A 308 THR H A 312 ARG H 1.0 2.33561538462 7.90638461538 13 13 A 312 ARG H A 311 GLY H 1.0 2.19964615385 6.86395384615 14 14 A 308 THR H A 311 GLY H 1.0 2.19964615385 6.86395384615 15 15 A 312 ARG H A 311 GLY HAx 1.0 2.31560769231 7.75299230769 16 16 A 312 ARG H A 311 GLY HAy 1.0 2.27935384615 7.47504615385 17 17 A 308 THR H A 312 ARG H 1.0 2.21319230769 6.96780769231 18 18 A 312 ARG H A 311 GLY H 1.0 2.30095384615 7.64064615385 19 19 A 308 THR H A 313 VAL HA 1.0 2.23910769231 7.16649230769 20 20 A 313 VAL H A 312 ARG HA 1.0 2.13073846154 6.33566153846 21 21 A 314 TYR H A 313 VAL HA 1.0 2.20959230769 6.94020769231 22 22 A 314 TYR H A 313 VAL HGx% 1.0 2.29043076923 7.55996923077 23 23 A 314 TYR H A 313 VAL HGy% 1.0 2.22092307692 7.02707692308 24 24 A 313 VAL H A 312 ARG HBy 1.0 1.88450769231 4.44789230769 25 25 A 313 VAL H A 312 ARG HGy 1.0 2.18981538462 6.78858461538 26 26 A 315 PHE HA A 316 VAL H 1.0 2.17446923077 6.67093076923 27 27 A 318 HIS H A 319 ASN H 1.0 2.28246923077 7.49893076923 28 28 A 318 HIS H A 317 ASP HA 1.0 2.18012307692 6.71427692308 29 29 A 318 HIS H A 317 ASP HBy 1.0 2.27353846154 7.43046153846 30 30 A 318 HIS H A 317 ASP HBx 1.0 2.22366923077 7.04813076923 31 31 A 317 ASP H A 322 THR H 1.0 2.27079230769 7.40940769231 32 32 A 318 HIS H A 319 ASN H 1.0 2.22650769231 7.06989230769 33 33 A 319 ASN H A 318 HIS HA 1.0 2.12171538462 6.26648461538 34 34 A 320 ASN H A 321 ARG H 1.0 2.19759230769 6.84820769231 35 35 A 319 ASN H A 320 ASN H 1.0 2.16413076923 6.59166923077 36 36 A 322 THR H A 320 ASN H 1.0 2.21826923077 7.00673076923 37 37 A 317 ASP H A 322 THR H 1.0 2.36958461538 8.16681538462 38 38 A 317 ASP H A 323 THR HA 1.0 2.18012307692 6.71427692308 39 39 A 320 ASN H A 321 ARG H 1.0 2.20068461538 6.87191538462 40 40 A 319 ASN H A 321 ARG H 1.0 2.24259230769 7.19320769231 41 41 A 304 GLU H A 303 TRP HA 1.0 2.30095384615 7.64064615385 42 42 A 318 HIS H A 303 TRP HA 1.0 2.33561538462 7.90638461538 43 43 A 303 TRP H A 302 GLY HAy 1.0 2.18886923077 6.78133076923 44 44 A 303 TRP H A 302 GLY HAx 1.0 2.18351538462 6.74028461538 45 45 A 303 TRP H A 302 GLY H 1.0 2.24083846154 7.17976153846 46 46 A 302 GLY H A 301 PRO HA 1.0 2.23576153846 7.14083846154 47 47 A 303 TRP H A 302 GLY H 1.0 2.16625384615 6.60794615385 48 48 A 304 GLU H A 303 TRP HBy 1.0 2.18439230769 6.74700769231 49 49 A 306 ARG H A 305 ILE H 1.0 2.20728461538 6.92251538462 50 50 A 304 GLU H A 305 ILE H 1.0 2.27935384615 7.47504615385 51 51 A 305 ILE H A 304 GLU HBy 1.0 2.16696923077 6.61343076923 52 52 A 306 ARG H A 305 ILE HD1% 1.0 2.18499230769 6.75160769231 53 53 A 306 ARG H A 305 ILE HG2% 1.0 2.31203076923 7.72556923077 54 54 A 306 ARG H A 305 ILE HB 1.0 2.28576923077 7.52423076923 55 55 A 305 ILE H A 304 GLU HA 1.0 2.13902307692 6.39917692308 56 56 A 323 THR HA A 324 GLN H 1.0 2.26320000000 7.35120000000 57 57 A 323 THR H A 322 THR HG2% 1.0 2.06916923077 5.86363076923 58 58 A 324 GLN H A 323 THR HG2% 1.0 2.22413076923 7.05166923077 59 59 A 325 PHE H A 326 THR H 1.0 2.12780769231 6.31319230769 60 60 A 325 PHE H A 324 GLN HA 1.0 2.18526923077 6.75373076923 61 61 A 325 PHE H A 326 THR H 1.0 2.26084615385 7.33315384615 62 62 A 326 THR H A 325 PHE HA 1.0 2.25636923077 7.29883076923 63 63 A 323 THR H A 322 THR HA 1.0 2.20959230769 6.94020769231 64 64 A 323 THR H A 322 THR HB 1.0 2.20068461538 6.87191538462 65 65 A 322 THR H A 318 HIS HA 1.0 2.20283076923 6.88836923077 66 66 A 316 VAL HA A 324 GLN H 1.0 2.14458461538 6.44181538462 67 67 A 324 GLN H A 323 THR H 1.0 2.53846153846 9.46153846154 68 68 A 313 VAL HGx% A 307 ASN HD2y 1.0 2.13976153846 6.40483846154 69 69 A 313 VAL HGy% A 307 ASN HD2y 1.0 2.07011538462 5.87088461538 70 70 A 313 VAL HGy% A 307 ASN HD2x 1.0 2.23306153846 7.12013846154 71 71 A 313 VAL HGy% A 307 ASN HD2x 1.0 2.23306153846 7.12013846154 72 72 A 319 ASN HD2y A 303 TRP HE1 1.0 2.18439230769 6.74700769231 73 73 A 303 TRP HE1 A 319 ASN HD2x 1.0 2.53846153846 9.46153846154 74 74 A 319 ASN H A 320 ASN H 1.0 2.30545384615 7.67514615385 75 75 A 320 ASN H A 319 ASN HBy 1.0 2.07537692308 5.91122307692 76 76 A 326 THR H A 324 GLN HA 1.0 2.17684615385 6.68915384615 77 77 A 322 THR HG2% A 324 GLN HE2x 1.0 2.31946153846 7.78253846154 78 78 A 329 ARG H A 330 LEU H 1.0 2.27935384615 7.47504615385 79 79 A 329 ARG H A 330 LEU H 1.0 2.30095384615 7.64064615385 80 80 A 330 LEU H A 331 SER H 1.0 2.04662307692 5.69077692308 81 81 A 330 LEU H A 331 SER H 1.0 2.10567692308 6.14352307692 82 82 A 332 ALA H A 333 ASN H 1.0 2.08119230769 5.95580769231 83 83 A 303 TRP HE1 A 300 PRO HGy 1.0 2.17216153846 6.65323846154 84 84 A 303 TRP HE1 A 300 PRO HGx 1.0 2.39143846154 8.33436153846 85 85 A 303 TRP HE1 A 300 PRO HBy 1.0 2.18981538462 6.78858461538 86 86 A 303 TRP HE1 A 300 PRO HBx 1.0 2.35530000000 8.05730000000 87 87 A 314 TYR H A 326 THR H 1.0 2.20841538462 6.93118461538 88 88 A 325 PHE H A 324 GLN HBx 1.0 2.35530000000 8.05730000000 89 89 A 325 PHE HA A 315 PHE H 1.0 2.24628461538 7.22151538462 90 90 A 304 GLU H A 303 TRP HBx 1.0 2.33561538462 7.90638461538 91 91 A 302 GLY H A 301 PRO HBx 1.0 2.26320000000 7.35120000000 92 92 A 300 PRO HBy A 303 TRP HD1 1.0 1.93751538462 4.85428461538 93 93 A 300 PRO HBx A 303 TRP HD1 1.0 1.89306923077 4.51353076923 94 94 A 300 PRO HGy A 303 TRP HD1 1.0 2.10221538462 6.11698461538 95 95 A 300 PRO HGx A 303 TRP HD1 1.0 1.99437692308 5.29022307692 96 96 A 315 PHE H A 314 TYR HA 1.0 2.13636923077 6.37883076923 97 97 A 315 PHE H A 314 TYR HBx 1.0 2.26564615385 7.36995384615 98 98 A 315 PHE H A 314 TYR HBy 1.0 2.19556153846 6.83263846154 99 99 A 315 PHE HE% A 305 ILE HG1x 1.0 1.92267692308 4.74052307692 100 100 A 305 ILE HG1x A 315 PHE HD% 1.0 2.04145384615 5.65114615385 101 101 A 305 ILE HG1x A 315 PHE HZ 1.0 1.99266923077 5.27713076923 102 102 A 317 ASP H A 316 VAL HGx% 1.0 2.26084615385 7.33315384615 103 103 A 317 ASP H A 316 VAL HB 1.0 2.25636923077 7.29883076923 104 104 A 317 ASP H A 316 VAL HGy% 1.0 2.25636923077 7.29883076923 105 105 A 316 VAL HGx% A 314 TYR HE% 1.0 2.03014615385 5.56445384615 106 106 A 316 VAL HGx% A 318 HIS HD1 1.0 2.05033846154 5.71926153846 107 107 A 316 VAL HGy% A 314 TYR HE% 1.0 2.16660000000 6.61060000000 108 108 A 316 VAL HB A 318 HIS HD1 1.0 2.27353846154 7.43046153846 109 109 A 316 VAL HGy% B 211 TYR HE% 1.0 2.11015384615 6.17784615385 110 110 A 323 THR HG2% A 314 TYR HD% 1.0 2.22773076923 7.07926923077 111 111 A 323 THR HG2% A 314 TYR HE% 1.0 2.11689230769 6.22950769231 112 112 A 316 VAL HGy% A 318 HIS HD1 1.0 2.08546153846 5.98853846154 113 113 A 319 ASN H A 318 HIS HBx 1.0 2.17370769231 6.66509230769 114 114 A 319 ASN H A 318 HIS HBy 1.0 2.20502307692 6.90517692308 115 115 A 320 ASN H A 319 ASN HA 1.0 2.10373846154 6.12866153846 116 116 A 322 THR H A 321 ARG H 1.0 2.21568461538 6.98691538462 117 117 A 321 ARG H A 320 ASN HBy 1.0 2.22798461538 7.08121538462 118 118 A 321 ARG H A 320 ASN HBx 1.0 2.22228461538 7.03751538462 119 119 A 321 ARG H A 320 ASN HA 1.0 2.20841538462 6.93118461538 120 120 A 322 THR H A 321 ARG HA 1.0 2.20174615385 6.88005384615 121 121 A 322 THR H A 321 ARG HBy 1.0 2.16625384615 6.60794615385 122 122 A 322 THR H A 321 ARG HBx 1.0 2.15543076923 6.52496923077 123 123 A 322 THR H A 321 ARG HGy 1.0 2.15736923077 6.53983076923 124 124 A 324 GLN H A 323 THR HB 1.0 2.14631538462 6.45508461538 125 125 A 323 THR HG2% A 316 VAL HGx% 1.0 2.08659230769 5.99720769231 126 126 A 323 THR HG2% A 316 VAL HGy% 1.0 2.14426153846 6.43933846154 127 127 A 328 PRO HGy A 327 ASP HBy 1.0 2.00448461538 5.36771538462 128 128 A 328 PRO HGy A 327 ASP HBy 1.0 2.00448461538 5.36771538462 129 129 A 327 ASP HBy A 328 PRO HGx 1.0 1.99453846154 5.29146153846 130 130 A 327 ASP HBy A 328 PRO HGx 1.0 1.99453846154 5.29146153846 131 131 A 326 THR H A 324 GLN HBx 1.0 2.31030000000 7.71230000000 132 132 A 326 THR H A 324 GLN HBy 1.0 2.53846153846 9.46153846154 133 133 A 326 THR H A 324 GLN HGy 1.0 2.16553846154 6.60246153846 134 134 A 324 GLN HGy A 303 TRP HH2 1.0 2.06591538462 5.83868461538 135 135 A 315 PHE HD% A 324 GLN HBy 1.0 2.04886153846 5.70793846154 136 136 A 303 TRP HH2 A 324 GLN HGx 1.0 1.85155384615 4.19524615385 137 137 A 324 GLN HBx A 303 TRP HZ2 1.0 2.11172307692 6.18987692308 138 138 A 327 ASP H A 326 THR HA 1.0 2.27079230769 7.40940769231 139 139 A 327 ASP H A 326 THR HB 1.0 2.25216923077 7.26663076923 140 140 A 328 PRO HGx A 327 ASP HA 1.0 1.99082307692 5.26297692308 141 141 A 315 PHE HE% A 327 ASP HBx 1.0 2.06455384615 5.82824615385 142 142 A 315 PHE HE% A 327 ASP HA 1.0 2.02740000000 5.54340000000 143 143 A 315 PHE HE% A 327 ASP HBy 1.0 2.07613846154 5.91706153846 144 144 A 315 PHE HD% A 327 ASP HBy 1.0 2.07041538462 5.87318461538 145 145 A 315 PHE HD% A 327 ASP HBx 1.0 2.04258461538 5.65981538462 146 146 A 315 PHE HZ A 327 ASP HBx 1.0 2.01265384615 5.43034615385 147 147 A 315 PHE HZ A 327 ASP HA 1.0 1.98138461538 5.19061538462 148 148 A 328 PRO HGy A 327 ASP HBx 1.0 2.03517692308 5.60302307692 149 149 A 328 PRO HGx A 327 ASP HBx 1.0 2.01320769231 5.43459230769 150 150 A 329 ARG H A 328 PRO HA 1.0 2.22366923077 7.04813076923 151 151 A 329 ARG H A 328 PRO HBy 1.0 2.12448461538 6.28771538462 152 152 A 329 ARG H A 328 PRO HBx 1.0 2.20283076923 6.88836923077 153 153 A 329 ARG H A 328 PRO HGy 1.0 2.27079230769 7.40940769231 154 154 A 329 ARG H A 328 PRO HGx 1.0 2.23576153846 7.14083846154 155 155 A 330 LEU H A 329 ARG HBy 1.0 2.20841538462 6.93118461538 156 156 A 330 LEU H A 329 ARG HBx 1.0 2.20283076923 6.88836923077 157 157 A 330 LEU H A 329 ARG HGy 1.0 2.31560769231 7.75299230769 158 158 A 330 LEU H A 329 ARG HGx 1.0 2.14746923077 6.46393076923 159 159 A 330 LEU H A 329 ARG HA 1.0 2.31030000000 7.71230000000 160 160 A 301 PRO HDx A 300 PRO HA 1.0 1.39020000000 2.39020000000 161 161 A 300 PRO HA A 301 PRO HDy 1.0 1.76164615385 3.50595384615 162 162 A 316 VAL HGy% B 211 TYR HD% 1.0 1.99892307692 5.32507692308 163 163 A 316 VAL HGy% B 211 TYR HE% 1.0 2.11015384615 6.17784615385 164 164 A 319 ASN HD2y A 303 TRP HE1 1.0 2.18012307692 6.71427692308 165 165 A 303 TRP HE1 A 319 ASN HD2x 1.0 2.16274615385 6.58105384615 166 166 A 304 GLU H A 303 TRP HD1 1.0 2.26816153846 7.38923846154 167 167 A 304 GLU H A 303 TRP HZ2 1.0 2.23098461538 7.10421538462 168 168 A 304 GLU H A 303 TRP H 1.0 2.32149230769 7.79810769231 169 169 A 317 ASP HBx A 303 TRP HZ2 1.0 2.03243076923 5.58196923077 170 170 A 328 PRO HGx A 303 TRP HZ2 1.0 2.01853846154 5.47546153846 171 171 A 328 PRO HGy A 303 TRP HZ2 1.0 2.11255384615 6.19624615385 172 172 A 303 TRP HZ2 A 328 PRO HDx 1.0 2.02569230769 5.53030769231 173 173 A 324 GLN HGy A 303 TRP HE3 1.0 2.01230769231 5.42769230769 174 174 A 324 GLN HGx A 303 TRP HE3 1.0 1.90592307692 4.61207692308 175 175 A 324 GLN HBx A 303 TRP HE3 1.0 2.05896923077 5.78543076923 176 176 A 324 GLN HBy A 303 TRP HE3 1.0 2.12353846154 6.28046153846 177 177 A 305 ILE HB A 315 PHE HD% 1.0 2.09940000000 6.09540000000 178 178 A 305 ILE HB A 315 PHE HE% 1.0 2.07583846154 5.91476153846 179 179 A 315 PHE HE% A 313 VAL HB 1.0 2.20336153846 6.89243846154 180 180 A 315 PHE HD% A 313 VAL HB 1.0 2.18933076923 6.78486923077 181 181 A 313 VAL HGy% A 315 PHE HE% 1.0 2.08481538462 5.98358461538 182 182 A 305 ILE HD1% A 315 PHE HE% 1.0 2.06480769231 5.83019230769 183 183 A 305 ILE HD1% A 307 ASN HD2y 1.0 1.99470000000 5.29270000000 184 184 A 313 VAL HGx% A 315 PHE HE% 1.0 2.15035384615 6.48604615385 185 185 A 306 ARG HBx A 314 TYR HE% 1.0 2.09208461538 6.03931538462 186 186 A 328 PRO HGx A 303 TRP HH2 1.0 2.06956153846 5.86663846154 187 187 A 317 ASP HBx A 303 TRP HH2 1.0 2.06427692308 5.82612307692 188 188 A 331 SER H A 330 LEU HA 1.0 2.25013846154 7.25106153846 189 189 A 332 ALA H A 331 SER HBy 1.0 2.20613076923 6.91366923077 190 190 A 332 ALA H A 331 SER HBx 1.0 2.13175384615 6.34344615385 191 191 A 332 ALA H A 331 SER HA 1.0 2.19459230769 6.82520769231 192 192 A 331 SER H A 330 LEU HG 1.0 2.14345384615 6.43314615385 193 193 A 331 SER H A 330 LEU HDx% 1.0 2.18949230769 6.78610769231 194 194 A 331 SER H A 330 LEU HDy% 1.0 2.29416923077 7.58863076923 195 195 A 314 TYR HD% A 308 THR HG2% 1.0 2.06153076923 5.80506923077 196 196 A 313 VAL HGx% A 307 ASN HD2x 1.0 2.35140000000 8.02740000000 197 197 A 308 THR HG2% A 325 PHE HE% 1.0 2.01558461538 5.45281538462 198 198 A 312 ARG H A 308 THR HG2% 1.0 2.20880769231 6.93419230769 199 199 A 312 ARG HGy A 325 PHE HE% 1.0 2.03284615385 5.58515384615 200 200 A 312 ARG HGy A 325 PHE HD% 1.0 2.14866923077 6.47313076923 201 201 A 329 ARG HBy A 325 PHE HD% 1.0 2.09702307692 6.07717692308 202 202 A 312 ARG HBy A 325 PHE HD% 1.0 2.10355384615 6.12724615385 203 203 A 300 PRO HDx A 299 LEU HA 1.0 1.86392307692 4.29007692308 204 204 A 299 LEU HA A 300 PRO HDy 1.0 1.84892307692 4.17507692308 205 205 B 212 SER H B 211 TYR HA 1.0 2.20174615385 6.88005384615 206 206 A 304 GLU HA A 299 LEU HBx 1.0 2.19459230769 6.82520769231 207 207 A 304 GLU HA A 299 LEU HDx% 1.0 1.96038461538 5.02961538462 208 208 A 314 TYR HE% B 214 TYR HA 1.0 1.98662307692 5.23077692308 209 209 B 214 TYR HA B 215 PRO HDy 1.0 1.83666923077 4.08113076923 210 210 B 214 TYR HA B 215 PRO HDx 1.0 1.71863076923 3.17616923077 211 211 A 314 TYR HD% A 323 THR HB 1.0 1.95140769231 4.96079230769 212 212 A 314 TYR HE% A 323 THR HB 1.0 1.99571538462 5.30048461538 213 213 A 313 VAL HA A 314 TYR HD% 1.0 2.14010769231 6.40749230769 214 214 B 215 PRO HDy B 214 TYR HD% 1.0 2.05398461538 5.74721538462 215 215 B 215 PRO HDx B 214 TYR HD% 1.0 2.01540000000 5.45140000000 216 216 A 314 TYR HE% A 308 THR HG2% 1.0 2.06720769231 5.84859230769 217 217 A 331 SER H A 330 LEU HBx 1.0 2.04685384615 5.69254615385 218 218 A 331 SER H A 330 LEU HBy 1.0 2.26084615385 7.33315384615 219 219 A 312 ARG HBy A 314 TYR HE% 1.0 2.34957692308 8.01342307692 220 220 A 314 TYR HE% A 306 ARG HDx 1.0 2.06522307692 5.83337692308 221 221 A 314 TYR HE% A 306 ARG HDy 1.0 2.16805384615 6.62174615385 222 222 A 314 TYR HE% A 306 ARG HGy 1.0 2.16805384615 6.62174615385 223 223 A 317 ASP HA A 303 TRP HA 1.0 1.83110769231 4.03849230769 224 224 A 307 ASN HA A 313 VAL HA 1.0 1.79796923077 3.78443076923 225 225 A 298 PRO HDx A 297 GLY HAy 1.0 1.80680769231 3.85219230769 226 226 A 297 GLY HAy A 298 PRO HDy 1.0 1.75181538462 3.43058461538 227 227 A 299 LEU H A 298 PRO HA 1.0 2.27079230769 7.40940769231 228 228 A 317 ASP HBx A 303 TRP HZ3 1.0 2.06079230769 5.79940769231 229 229 A 328 PRO HGx A 303 TRP HZ3 1.0 2.01948461538 5.48271538462 230 230 A 311 GLY H A 310 THR HA 1.0 2.18981538462 6.78858461538 231 231 A 311 GLY H A 310 THR HG2% 1.0 2.31378461538 7.73901538462 232 232 A 314 TYR H A 313 VAL HB 1.0 2.20959230769 6.94020769231 233 233 A 316 VAL HGx% A 321 ARG HA 1.0 2.14827692308 6.47012307692 234 234 A 316 VAL HGy% A 321 ARG HA 1.0 2.11186153846 6.19093846154 235 235 A 326 THR HB A 324 GLN HE2y 1.0 2.16916153846 6.63023846154 236 236 A 305 ILE HD1% A 315 PHE HZ 1.0 2.12993076923 6.32946923077 237 237 A 313 VAL HGy% A 315 PHE HZ 1.0 2.06229230769 5.81090769231 238 238 A 327 ASP H A 326 THR HG2% 1.0 2.26730769231 7.38269230769 239 239 A 327 ASP H A 330 LEU HDx% 1.0 2.32359230769 7.81420769231 240 240 A 327 ASP H A 330 LEU HG 1.0 2.18981538462 6.78858461538 241 241 A 308 THR HG2% A 325 PHE HD% 1.0 2.15836153846 6.54743846154 242 242 A 324 GLN HE2x A 326 THR HG2% 1.0 2.30863846154 7.69956153846 243 243 A 315 PHE HE% A 305 ILE HG1y 1.0 2.07214615385 5.88645384615 244 244 A 315 PHE HD% A 305 ILE HG1y 1.0 2.06210769231 5.80949230769 245 245 A 305 ILE HD1% A 315 PHE HD% 1.0 2.10706153846 6.15413846154 246 246 A 318 HIS HD1 A 304 GLU HGy 1.0 2.13636923077 6.37883076923 247 247 A 304 GLU HBy A 318 HIS HD1 1.0 1.99643076923 5.30596923077 248 248 A 318 HIS HD1 A 304 GLU HBx 1.0 1.99329230769 5.28190769231 249 249 A 313 VAL HGx% A 315 PHE HZ 1.0 2.16251538462 6.57928461538 250 250 B 205 GLU H B 204 LEU HBy 1.0 2.21196923077 6.95843076923 251 251 B 205 GLU H B 204 LEU HBx 1.0 2.14010769231 6.40749230769 252 252 A 314 TYR HE% B 209 PRO HGx 1.0 2.31560769231 7.75299230769 253 253 A 314 TYR HE% B 209 PRO HGy 1.0 2.07170769231 5.88309230769 254 254 A 314 TYR HE% B 209 PRO HBx 1.0 2.27935384615 7.47504615385 255 255 A 300 PRO HDx A 299 LEU HDx% 1.0 2.05723846154 5.77216153846 256 256 A 300 PRO HDy A 299 LEU HDx% 1.0 2.06436923077 5.82683076923 257 257 A 308 THR HG2% B 209 PRO HDx 1.0 1.94854615385 4.93885384615 258 258 A 308 THR HG2% B 209 PRO HDy 1.0 1.97402307692 5.13417692308 259 259 A 307 ASN HA A 313 VAL HA 1.0 1.70222307692 3.05037692308 260 260 A 316 VAL HA A 323 THR HA 1.0 1.97226923077 5.12073076923 261 261 A 315 PHE HA A 305 ILE HA 1.0 1.86240000000 4.27840000000 262 262 A 317 ASP HA A 303 TRP HA 1.0 1.80110769231 3.80849230769 263 263 B 209 PRO HDy B 208 PRO HA 1.0 1.65720000000 2.70520000000 264 264 B 209 PRO HDx B 208 PRO HA 1.0 1.72211538462 3.20288461538 265 265 B 209 PRO HDx B 208 PRO HA 1.0 1.72211538462 3.20288461538 266 266 B 208 PRO HDx B 207 PRO HA 1.0 1.83510000000 4.06910000000 267 267 B 207 PRO HDx B 206 SER HA 1.0 1.25000000000 2.25000000000 268 268 B 206 SER HA B 207 PRO HDy 1.0 1.79778461538 3.78301538462 269 269 B 207 PRO HDx B 206 SER HBy 1.0 1.84753846154 4.16446153846 270 270 B 207 PRO HDy B 206 SER HBy 1.0 1.74320769231 3.36459230769 271 271 B 207 PRO HDx B 206 SER HBx 1.0 1.88406923077 4.44453076923 272 272 B 207 PRO HDy B 206 SER HBx 1.0 1.76796923077 3.55443076923 273 273 A 314 TYR HBx B 208 PRO HBx 1.0 1.92020769231 4.72159230769 274 274 A 314 TYR HBy B 208 PRO HBx 1.0 1.91833846154 4.70726153846 275 275 A 312 ARG HBy B 208 PRO HBx 1.0 2.08767692308 6.00552307692 276 276 A 323 THR HG2% B 209 PRO HBx 1.0 2.06536153846 5.83443846154 277 277 A 323 THR HG2% B 209 PRO HGy 1.0 1.87026923077 4.33873076923 278 278 A 308 THR HG2% B 209 PRO HBx 1.0 2.11158461538 6.18881538462 279 279 B 210 PRO HDx B 209 PRO HA 1.0 1.90643076923 4.61596923077 280 280 B 209 PRO HA B 210 PRO HDy 1.0 1.93520769231 4.83659230769 281 281 B 210 PRO HDy B 211 TYR H 1.0 2.23412307692 7.12827692308 282 282 B 206 SER H B 205 GLU HA 1.0 2.16482307692 6.59697692308 stop_ save_