data_nef_c25310_2mwa 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 BMRB 25309 BMRB 25311 BMRB 25313 BMRB 25314 BMRB 25315 PDB 2MWA 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 428 GLY start . false 2 A 429 ALA middle . . 3 A 430 THR middle . . 4 A 431 ALA middle . . 5 A 432 VAL middle . . 6 A 433 SER middle . . 7 A 434 GLU middle . . 8 A 435 TRP middle . . 9 A 436 THR middle . . 10 A 437 GLU middle . . 11 A 438 TYR middle . . 12 A 439 LYS middle . . 13 A 440 THR middle . . 14 A 441 ALA middle . . 15 A 442 ASP middle . . 16 A 443 GLY middle . false 17 A 444 LYS middle . . 18 A 445 THR middle . . 19 A 446 LEU middle . . 20 A 447 TYR middle . . 21 A 448 TYR middle . . 22 A 449 ASN middle . . 23 A 450 ASN middle . . 24 A 451 ARG middle . . 25 A 452 THR middle . . 26 A 453 LEU middle . . 27 A 454 GLU middle . . 28 A 455 SER middle . . 29 A 456 THR middle . . 30 A 457 TRP middle . . 31 A 458 GLU middle . . 32 A 459 LYS middle . . 33 A 460 PRO middle . false 34 A 461 GLN middle . . 35 A 462 GLU middle . . 36 A 463 LEU middle . . 37 A 464 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 431 ALA H H 1 8.177 0.020 A 431 ALA HA H 1 4.154 0.020 A 431 ALA HB% H 1 1.166 0.020 A 432 VAL H H 1 8.041 0.020 A 432 VAL HA H 1 3.889 0.020 A 432 VAL HB H 1 1.841 0.020 A 432 VAL HGx% H 1 0.732 0.020 A 432 VAL HGy% H 1 0.988 0.020 A 433 SER H H 1 8.237 0.020 A 433 SER HA H 1 4.294 0.020 A 433 SER HBy H 1 3.814 0.020 A 433 SER HBx H 1 3.704 0.020 A 434 GLU H H 1 8.645 0.020 A 434 GLU HA H 1 3.999 0.020 A 434 GLU HBy H 1 1.731 0.020 A 434 GLU HBx H 1 1.643 0.020 A 434 GLU HGx H 1 1.809 0.020 A 435 TRP H H 1 8.052 0.020 A 435 TRP HA H 1 5.143 0.020 A 435 TRP HB2 H 1 2.923 0.020 A 435 TRP HB3 H 1 2.758 0.020 A 435 TRP HD1 H 1 7.003 0.020 A 435 TRP HE1 H 1 10.071 0.020 A 435 TRP HE3 H 1 7.105 0.020 A 435 TRP HH2 H 1 6.867 0.020 A 435 TRP HZ2 H 1 7.278 0.020 A 435 TRP HZ3 H 1 6.678 0.020 A 436 THR H H 1 9.550 0.020 A 436 THR HA H 1 4.433 0.020 A 436 THR HB H 1 3.892 0.020 A 436 THR HG2% H 1 0.879 0.020 A 437 GLU H H 1 8.543 0.020 A 437 GLU HA H 1 4.413 0.020 A 437 GLU HBx H 1 1.616 0.020 A 437 GLU HGx H 1 1.779 0.020 A 438 TYR H H 1 9.039 0.020 A 438 TYR HA H 1 4.398 0.020 A 438 TYR HBy H 1 2.609 0.020 A 438 TYR HBx H 1 2.537 0.020 A 438 TYR HDx H 1 6.650 0.020 A 438 TYR HEx H 1 6.322 0.020 A 439 LYS H H 1 7.691 0.020 A 439 LYS HA H 1 3.570 0.020 A 439 LYS HBy H 1 1.387 0.020 A 439 LYS HBx H 1 1.330 0.020 A 439 LYS HDx H 1 1.030 0.020 A 439 LYS HEx H 1 2.666 0.020 A 439 LYS HGy H 1 1.170 0.020 A 439 LYS HGx H 1 1.007 0.020 A 440 THR H H 1 8.572 0.020 A 440 THR HA H 1 4.423 0.020 A 440 THR HB H 1 4.283 0.020 A 440 THR HG2% H 1 1.253 0.020 A 441 ALA H H 1 8.848 0.020 A 441 ALA HA H 1 3.920 0.020 A 441 ALA HB% H 1 1.242 0.020 A 442 ASP H H 1 7.825 0.020 A 442 ASP HA H 1 4.415 0.020 A 442 ASP HBy H 1 2.620 0.020 A 442 ASP HBx H 1 2.427 0.020 A 443 GLY H H 1 7.713 0.020 A 443 GLY HAx H 1 3.387 0.020 A 443 GLY HAy H 1 3.980 0.020 A 444 LYS H H 1 7.533 0.020 A 444 LYS HA H 1 4.207 0.020 A 444 LYS HBy H 1 1.720 0.020 A 444 LYS HBx H 1 1.603 0.020 A 444 LYS HDx H 1 1.256 0.020 A 444 LYS HEx H 1 2.448 0.020 A 444 LYS HGy H 1 1.119 0.020 A 444 LYS HGx H 1 1.095 0.020 A 445 THR H H 1 8.298 0.020 A 445 THR HA H 1 4.779 0.020 A 445 THR HB H 1 3.610 0.020 A 445 THR HG2% H 1 0.428 0.020 A 446 LEU H H 1 8.727 0.020 A 446 LEU HA H 1 3.968 0.020 A 446 LEU HBy H 1 2.491 0.020 A 446 LEU HBx H 1 2.089 0.020 A 447 TYR H H 1 8.472 0.020 A 447 TYR HA H 1 4.857 0.020 A 447 TYR HBy H 1 2.598 0.020 A 447 TYR HBx H 1 2.298 0.020 A 447 TYR HDy H 1 6.520 0.020 A 447 TYR HEy H 1 6.461 0.020 A 448 TYR H H 1 9.148 0.020 A 448 TYR HA H 1 5.106 0.020 A 448 TYR HBy H 1 2.742 0.020 A 448 TYR HBx H 1 2.406 0.020 A 448 TYR HDy H 1 6.610 0.020 A 448 TYR HEy H 1 6.350 0.020 A 449 ASN H H 1 8.066 0.020 A 449 ASN HA H 1 4.024 0.020 A 449 ASN HBy H 1 2.201 0.020 A 449 ASN HBx H 1 0.118 0.020 A 449 ASN HD2y H 1 7.025 0.020 A 449 ASN HD2x H 1 4.354 0.020 A 450 ASN H H 1 8.379 0.020 A 450 ASN HA H 1 4.013 0.020 A 450 ASN HBx H 1 2.504 0.020 A 450 ASN HBy H 1 2.516 0.020 A 450 ASN HD2y H 1 7.117 0.020 A 450 ASN HD2x H 1 6.606 0.020 A 451 ARG H H 1 8.357 0.020 A 451 ARG HA H 1 4.081 0.020 A 451 ARG HBy H 1 1.714 0.020 A 451 ARG HBx H 1 1.409 0.020 A 451 ARG HDy H 1 3.053 0.020 A 451 ARG HDx H 1 2.783 0.020 A 451 ARG HE H 1 7.793 0.020 A 451 ARG HGy H 1 1.243 0.020 A 451 ARG HGx H 1 1.058 0.020 A 451 ARG HH1x H 1 6.581 0.020 A 451 ARG HH1y H 1 6.581 0.020 A 452 THR H H 1 7.803 0.020 A 452 THR HA H 1 3.782 0.020 A 452 THR HB H 1 3.983 0.020 A 452 THR HG2% H 1 0.713 0.020 A 453 LEU H H 1 7.694 0.020 A 453 LEU HA H 1 3.567 0.020 A 453 LEU HBy H 1 1.884 0.020 A 453 LEU HBx H 1 1.502 0.020 A 453 LEU HD1% H 1 0.660 0.020 A 453 LEU HD2% H 1 0.578 0.020 A 453 LEU HG H 1 1.098 0.020 A 454 GLU H H 1 6.954 0.020 A 454 GLU HA H 1 4.099 0.020 A 454 GLU HBy H 1 1.676 0.020 A 454 GLU HBx H 1 1.527 0.020 A 454 GLU HGy H 1 2.009 0.020 A 454 GLU HGx H 1 1.880 0.020 A 455 SER H H 1 8.219 0.020 A 455 SER HA H 1 5.560 0.020 A 455 SER HBx H 1 3.403 0.020 A 456 THR H H 1 8.948 0.020 A 456 THR HA H 1 4.487 0.020 A 456 THR HB H 1 4.057 0.020 A 456 THR HG2% H 1 0.940 0.020 A 457 TRP H H 1 8.111 0.020 A 457 TRP HA H 1 4.928 0.020 A 457 TRP HBy H 1 3.377 0.020 A 457 TRP HBx H 1 2.974 0.020 A 457 TRP HD1 H 1 7.131 0.020 A 457 TRP HE1 H 1 9.849 0.020 A 457 TRP HE3 H 1 7.605 0.020 A 457 TRP HH2 H 1 6.867 0.020 A 457 TRP HZ2 H 1 7.114 0.020 A 457 TRP HZ3 H 1 6.703 0.020 A 458 GLU H H 1 8.038 0.020 A 458 GLU HA H 1 4.090 0.020 A 458 GLU HBy H 1 1.705 0.020 A 458 GLU HBx H 1 1.495 0.020 A 458 GLU HGy H 1 1.795 0.020 A 458 GLU HGx H 1 1.674 0.020 A 459 LYS H H 1 8.133 0.020 A 459 LYS HA H 1 2.364 0.020 A 459 LYS HBy H 1 1.258 0.020 A 459 LYS HBx H 1 1.155 0.020 A 459 LYS HDx H 1 0.396 0.020 A 459 LYS HEy H 1 2.625 0.020 A 459 LYS HEx H 1 2.538 0.020 A 459 LYS HGx H 1 0.833 0.020 A 460 PRO HA H 1 3.701 0.020 A 460 PRO HBy H 1 1.225 0.020 A 460 PRO HBx H 1 0.832 0.020 A 460 PRO HDy H 1 2.374 0.020 A 460 PRO HDx H 1 1.905 0.020 A 460 PRO HGy H 1 0.557 0.020 A 460 PRO HGx H 1 -0.172 0.020 A 461 GLN H H 1 8.358 0.020 A 461 GLN HA H 1 3.550 0.020 A 461 GLN HBy H 1 1.789 0.020 A 461 GLN HBx H 1 1.737 0.020 A 461 GLN HE2y H 1 7.407 0.020 A 461 GLN HE2x H 1 6.702 0.020 A 461 GLN HGx H 1 2.139 0.020 A 462 GLU H H 1 8.918 0.020 A 462 GLU HA H 1 3.932 0.020 A 462 GLU HBx H 1 1.805 0.020 A 462 GLU HBy H 1 1.845 0.020 A 462 GLU HGx H 1 2.090 0.020 A 463 LEU H H 1 7.361 0.020 A 463 LEU HA H 1 4.204 0.020 A 463 LEU HBy H 1 1.072 0.020 A 463 LEU HBx H 1 1.071 0.020 A 463 LEU HDx% H 1 0.664 0.020 A 463 LEU HDy% H 1 0.557 0.020 A 463 LEU HG H 1 1.395 0.020 A 464 LYS H H 1 7.424 0.020 A 464 LYS HA H 1 3.742 0.020 A 464 LYS HBy H 1 1.599 0.020 A 464 LYS HBx H 1 1.490 0.020 A 464 LYS HDy H 1 1.257 0.020 A 464 LYS HDx H 1 1.170 0.020 A 464 LYS HEx H 1 2.660 0.020 A 464 LYS HGx H 1 1.012 0.020 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 _nef_distance_restraint_list.potential_type . 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 439 LYS HA A 440 THR H 1.0 2.29340769231 7.58279230769 2 2 A 439 LYS HA A 446 LEU H 1.0 2.22720000000 7.07520000000 3 3 A 455 SER HA A 456 THR H 1.0 2.02407692308 5.51792307692 4 4 A 455 SER HA A 449 ASN H 1.0 2.14437692308 6.44022307692 5 5 A 449 ASN H A 448 TYR HA 1.0 2.01002307692 5.41017692308 6 6 A 447 TYR HA A 448 TYR H 1.0 1.92043846154 4.72336153846 7 7 A 438 TYR HA A 439 LYS H 1.0 2.19976153846 6.86483846154 8 8 A 455 SER HA A 448 TYR HA 1.0 2.09229230769 6.04090769231 9 9 A 439 LYS HA A 445 THR HA 1.0 2.29516153846 7.59623846154 10 10 A 446 LEU HA A 447 TYR H 1.0 1.93733076923 4.85286923077 11 11 A 446 LEU H A 445 THR HA 1.0 2.13604615385 6.37635384615 12 12 A 435 TRP HA A 436 THR H 1.0 1.89556153846 4.53263846154 13 13 A 436 THR H A 449 ASN HA 1.0 2.12446153846 6.28753846154 14 14 A 436 THR HB A 437 GLU H 1.0 2.13867692308 6.39652307692 15 15 A 437 GLU H A 436 THR HA 1.0 1.86750000000 4.31750000000 16 16 A 437 GLU HA A 438 TYR H 1.0 1.91023846154 4.64516153846 17 17 A 448 TYR H A 437 GLU HA 1.0 2.14324615385 6.43155384615 18 18 A 456 THR H A 455 SER HBx 1.0 2.08370769231 5.97509230769 19 19 A 435 TRP HA A 450 ASN H 1.0 2.09153076923 6.03506923077 20 20 A 449 ASN HA A 450 ASN H 1.0 1.86909230769 4.32970769231 21 21 A 450 ASN HA A 451 ARG H 1.0 1.92519230769 4.75980769231 22 22 A 451 ARG HA A 452 THR H 1.0 2.06889230769 5.86150769231 23 23 A 452 THR HA A 453 LEU H 1.0 2.08336153846 5.97243846154 24 24 A 463 LEU HA A 464 LYS H 1.0 1.95175384615 4.96344615385 25 25 A 453 LEU HA A 454 GLU H 1.0 2.04600000000 5.68600000000 26 26 A 456 THR HA A 457 TRP H 1.0 1.90029230769 4.56890769231 27 27 A 444 LYS HA A 445 THR H 1.0 1.80999230769 3.87660769231 28 28 A 433 SER HA A 434 GLU H 1.0 1.92417692308 4.75202307692 29 29 A 434 GLU HA A 435 TRP H 1.0 2.01800769231 5.47139230769 30 30 A 434 GLU H A 433 SER HBy 1.0 2.14146923077 6.41793076923 31 31 A 434 GLU H A 433 SER HBx 1.0 2.14786153846 6.46693846154 32 32 A 432 VAL HA A 433 SER H 1.0 1.87460769231 4.37199230769 33 33 A 431 ALA HA A 432 VAL H 1.0 1.88441538462 4.44718461538 34 34 A 435 TRP H A 433 SER HBx 1.0 2.11608461538 6.22331538462 35 35 A 440 THR HB A 441 ALA H 1.0 1.99673076923 5.30826923077 36 36 A 454 GLU HA A 455 SER H 1.0 1.82342307692 3.97957692308 37 37 A 457 TRP HBy A 458 GLU H 1.0 2.14241538462 6.42518461538 38 38 A 441 ALA H A 440 THR HA 1.0 1.91224615385 4.66055384615 39 39 A 440 THR H A 445 THR HA 1.0 2.23299230769 7.11960769231 40 40 A 441 ALA HA A 442 ASP H 1.0 2.09436923077 6.05683076923 41 41 A 442 ASP HA A 443 GLY H 1.0 2.07369230769 5.89830769231 42 42 A 461 GLN HA A 462 GLU H 1.0 2.02566923077 5.53013076923 43 43 A 462 GLU H A 460 PRO HA 1.0 2.14036153846 6.40943846154 44 44 A 460 PRO HA A 461 GLN H 1.0 1.82605384615 3.99974615385 45 45 A 446 LEU HA A 457 TRP HE3 1.0 2.04193846154 5.65486153846 46 46 A 462 GLU HA A 463 LEU H 1.0 2.00884615385 5.40115384615 47 47 A 432 VAL H A 431 ALA HB% 1.0 2.11839230769 6.24100769231 48 48 A 433 SER H A 432 VAL HGx% 1.0 2.13996923077 6.40643076923 49 49 A 435 TRP H A 434 GLU HBx 1.0 2.13163846154 6.34256153846 50 50 A 435 TRP H A 434 GLU HBy 1.0 2.18946923077 6.78593076923 51 51 A 433 SER H A 432 VAL HB 1.0 2.08878461538 6.01401538462 52 52 A 436 THR H A 435 TRP HB2 1.0 2.12972307692 6.32787692308 53 53 A 436 THR H A 435 TRP HB3 1.0 2.07662307692 5.92077692308 54 54 A 437 GLU H A 436 THR HG2% 1.0 2.09166923077 6.03613076923 55 55 A 438 TYR H A 437 GLU HBx 1.0 2.10572307692 6.14387692308 56 56 A 439 LYS H A 438 TYR HBy 1.0 2.26382307692 7.35597692308 57 57 A 439 LYS H A 438 TYR HBx 1.0 2.35183846154 8.03076153846 58 58 A 436 THR HG2% A 438 TYR HE% 1.0 2.09453076923 6.05806923077 59 59 A 440 THR H A 439 LYS HGy 1.0 2.18566153846 6.75673846154 60 60 A 440 THR H A 439 LYS HBy 1.0 2.20202307692 6.88217692308 61 61 A 440 THR H A 439 LYS HBx 1.0 2.12044615385 6.25675384615 62 62 A 442 ASP H A 441 ALA HB% 1.0 2.11959230769 6.25020769231 63 63 A 443 GLY H A 442 ASP HBy 1.0 2.21390769231 6.97329230769 64 64 A 443 GLY HAy A 444 LYS H 1.0 2.12423076923 6.28576923077 65 65 A 444 LYS H A 443 GLY HAx 1.0 2.09065384615 6.02834615385 66 66 A 445 THR H A 444 LYS HBy 1.0 1.98620769231 5.22759230769 67 67 A 445 THR H A 444 LYS HGy 1.0 2.06081538462 5.79958461538 68 68 A 445 THR H A 444 LYS HBx 1.0 2.06109230769 5.80170769231 69 69 A 446 LEU H A 445 THR HG2% 1.0 2.13198461538 6.34521538462 70 70 A 448 TYR H A 447 TYR HBy 1.0 2.16283846154 6.58176153846 71 71 A 449 ASN H A 448 TYR HBy 1.0 2.07401538462 5.90078461538 72 72 A 438 TYR HE% A 448 TYR HBy 1.0 2.06949230769 5.86610769231 73 73 A 450 ASN H A 449 ASN HBy 1.0 2.16156923077 6.57203076923 74 74 A 450 ASN H A 449 ASN HBx 1.0 2.18898461538 6.78221538462 75 75 A 451 ARG H A 450 ASN HBx 1.0 1.97501538462 5.14178461538 76 76 A 451 ARG H A 450 ASN HBy 1.0 1.97859230769 5.16920769231 77 77 A 452 THR H A 451 ARG HGx 1.0 2.09003076923 6.02356923077 78 78 A 452 THR H A 451 ARG HGy 1.0 1.99975384615 5.33144615385 79 79 A 452 THR H A 451 ARG HBx 1.0 2.01775384615 5.46944615385 80 80 A 452 THR H A 451 ARG HBy 1.0 1.97026153846 5.10533846154 81 81 A 457 TRP H A 456 THR HG2% 1.0 2.18176153846 6.72683846154 82 82 A 453 LEU H A 452 THR HG2% 1.0 2.18215384615 6.72984615385 83 83 A 454 GLU H A 453 LEU HD2% 1.0 2.23513846154 7.13606153846 84 84 A 463 LEU HDx% A 435 TRP HD1 1.0 2.15307692308 6.50692307692 85 85 A 455 SER H A 454 GLU HGy 1.0 2.12148461538 6.26471538462 86 86 A 455 SER H A 454 GLU HGx 1.0 2.07203076923 5.88556923077 87 87 A 455 SER H A 454 GLU HBy 1.0 2.04300000000 5.66300000000 88 88 A 455 SER H A 454 GLU HBx 1.0 2.07900000000 5.93900000000 89 89 A 453 LEU H A 454 GLU H 1.0 2.00873076923 5.40026923077 90 90 A 452 THR H A 453 LEU H 1.0 1.88208461538 4.42931538462 91 91 A 451 ARG H A 452 THR H 1.0 1.91427692308 4.67612307692 92 92 A 451 ARG H A 453 LEU H 1.0 2.07955384615 5.94324615385 93 93 A 456 THR H A 447 TYR H 1.0 2.15563846154 6.52656153846 94 94 A 462 GLU H A 461 GLN H 1.0 2.04957692308 5.71342307692 95 95 A 462 GLU H A 463 LEU H 1.0 2.03997692308 5.63982307692 96 96 A 464 LYS H A 463 LEU H 1.0 1.87380000000 4.36580000000 97 97 A 440 THR H A 444 LYS H 1.0 2.08128461538 5.95651538462 98 98 A 443 GLY H A 444 LYS H 1.0 2.00988461538 5.40911538462 99 99 A 448 TYR H A 436 THR H 1.0 2.07260769231 5.88999230769 100 100 A 458 GLU H A 457 TRP HBx 1.0 2.10006923077 6.10053076923 101 101 A 458 GLU HA A 459 LYS H 1.0 1.79296153846 3.74603846154 102 102 A 459 LYS H A 458 GLU HGy 1.0 2.07565384615 5.91334615385 103 103 A 459 LYS H A 458 GLU HBy 1.0 2.33079230769 7.86940769231 104 104 A 461 GLN H A 460 PRO HBx 1.0 2.12531538462 6.29408461538 105 105 A 461 GLN H A 460 PRO HBy 1.0 2.06261538462 5.81338461538 106 106 A 462 GLU H A 460 PRO HBx 1.0 2.08396153846 5.97703846154 107 107 A 462 GLU H A 460 PRO HBy 1.0 2.13662307692 6.38077692308 108 108 A 462 GLU H A 461 GLN HBy 1.0 1.97344615385 5.12975384615 109 109 A 459 LYS HA A 460 PRO HDx 1.0 1.83265384615 4.05034615385 110 110 A 463 LEU H A 462 GLU HGx 1.0 2.08866923077 6.01313076923 111 111 A 463 LEU H A 462 GLU HBx 1.0 2.11296923077 6.19943076923 112 112 A 464 LYS H A 463 LEU HG 1.0 2.09397692308 6.05382307692 113 113 A 438 TYR HE% A 440 THR HG2% 1.0 2.25724615385 7.30555384615 114 114 A 436 THR HB A 438 TYR HE% 1.0 1.98994615385 5.25625384615 115 115 A 436 THR HB A 438 TYR HD% 1.0 2.13837692308 6.39422307692 116 116 A 448 TYR HBy A 438 TYR HD% 1.0 2.11396153846 6.20703846154 117 117 A 458 GLU HA A 447 TYR HD% 1.0 2.18476153846 6.74983846154 118 118 A 458 GLU HA A 447 TYR HE% 1.0 2.16544615385 6.60175384615 119 119 A 450 ASN HA A 448 TYR HE% 1.0 2.02096153846 5.49403846154 120 120 A 453 LEU HA A 448 TYR HE% 1.0 2.07586153846 5.91493846154 121 121 A 455 SER HBx A 448 TYR HE% 1.0 2.13916153846 6.40023846154 122 122 A 460 PRO HDx A 447 TYR HD% 1.0 2.12554615385 6.29585384615 123 123 A 447 TYR HD% A 437 GLU HGx 1.0 2.11273846154 6.19766153846 124 124 A 460 PRO HBy A 447 TYR HD% 1.0 2.19694615385 6.84325384615 125 125 A 456 THR HG2% A 447 TYR HD% 1.0 2.14472307692 6.44287692308 126 126 A 445 THR HG2% A 447 TYR HD% 1.0 2.18363076923 6.74116923077 127 127 A 447 TYR HD% A 463 LEU HDy% 1.0 2.10685384615 6.15254615385 128 128 A 447 TYR HE% A 459 LYS HBx 1.0 2.06930769231 5.86469230769 129 129 A 445 THR HG2% A 447 TYR HE% 1.0 2.11956923077 6.25003076923 130 130 A 447 TYR HE% A 463 LEU HDy% 1.0 2.13260769231 6.34999230769 131 131 A 447 TYR HE% A 437 GLU HGx 1.0 2.08324615385 5.97155384615 132 132 A 460 PRO HDx A 447 TYR HE% 1.0 2.14239230769 6.42500769231 133 133 A 456 THR HG2% A 447 TYR HE% 1.0 2.23153846154 7.10846153846 134 134 A 448 TYR HE% A 453 LEU HBx 1.0 2.16043846154 6.56336153846 135 135 A 450 ASN HBx A 448 TYR HE% 1.0 2.10034615385 6.10265384615 136 136 A 447 TYR HE% A 459 LYS HGx 1.0 2.14668461538 6.45791538462 137 137 A 447 TYR HD% A 459 LYS HGx 1.0 2.18044615385 6.71675384615 138 138 A 455 SER HA A 448 TYR HD% 1.0 2.14467692308 6.44252307692 139 139 A 447 TYR HD% A 435 TRP HE3 1.0 2.14776923077 6.46623076923 140 140 A 447 TYR HA A 435 TRP HE3 1.0 2.10632307692 6.14847692308 141 141 A 447 TYR HBy A 435 TRP HE3 1.0 2.04360000000 5.66760000000 142 142 A 455 SER HBx A 448 TYR HD% 1.0 2.06490000000 5.83090000000 143 143 A 436 THR HB A 448 TYR HD% 1.0 2.13357692308 6.35742307692 144 144 A 450 ASN HA A 448 TYR HD% 1.0 2.11959230769 6.25020769231 145 145 A 450 ASN HBy A 448 TYR HD% 1.0 2.12967692308 6.32752307692 146 146 A 453 LEU HD2% A 448 TYR HD% 1.0 2.25662307692 7.30077692308 147 147 A 456 THR HG2% A 435 TRP HE3 1.0 2.17165384615 6.64934615385 148 148 A 435 TRP HD1 A 463 LEU HDy% 1.0 2.16916153846 6.63023846154 149 149 A 449 ASN HBx A 435 TRP HE3 1.0 2.15815384615 6.54584615385 150 150 A 435 TRP HE3 A 460 PRO HGy 1.0 2.17017692308 6.63802307692 151 151 A 451 ARG HA A 435 TRP HH2 1.0 2.11486153846 6.21393846154 152 152 A 451 ARG HA A 435 TRP HZ3 1.0 2.16602307692 6.60617692308 153 153 A 447 TYR HBy A 435 TRP HZ3 1.0 2.05234615385 5.73465384615 154 154 A 456 THR HG2% A 435 TRP HZ3 1.0 2.06386153846 5.82293846154 155 155 A 456 THR HG2% A 435 TRP HH2 1.0 2.07978461538 5.94501538462 156 156 A 449 ASN HBx A 435 TRP HZ3 1.0 2.12693076923 6.30646923077 157 157 A 449 ASN HBx A 435 TRP HH2 1.0 2.12921538462 6.32398461538 158 158 A 447 TYR HD% A 460 PRO HGy 1.0 2.00079230769 5.33940769231 159 159 A 447 TYR HD% A 460 PRO HGx 1.0 2.20707692308 6.92092307692 160 160 A 435 TRP HE3 A 460 PRO HGx 1.0 2.13634615385 6.37865384615 161 161 A 460 PRO HBx A 435 TRP HZ2 1.0 2.16210000000 6.57610000000 162 162 A 456 THR HG2% A 435 TRP HZ2 1.0 2.18259230769 6.73320769231 163 163 A 460 PRO HGy A 435 TRP HZ2 1.0 2.32407692308 7.81792307692 164 164 A 460 PRO HGx A 435 TRP HZ2 1.0 2.13242307692 6.34857692308 165 165 A 449 ASN HD2x A 435 TRP HE1 1.0 2.13330000000 6.35530000000 166 166 A 462 GLU HGx A 435 TRP HE1 1.0 2.09803846154 6.08496153846 167 167 A 435 TRP HE1 A 462 GLU HBy 1.0 2.18021538462 6.71498461538 168 168 A 460 PRO HBy A 435 TRP HE1 1.0 2.13671538462 6.38148461538 169 169 A 460 PRO HBx A 435 TRP HE1 1.0 2.13777692308 6.38962307692 170 170 A 460 PRO HBx A 435 TRP HZ2 1.0 2.16210000000 6.57610000000 171 171 A 435 TRP HD1 A 460 PRO HBy 1.0 2.17569230769 6.68030769231 172 172 A 435 TRP HD1 A 460 PRO HGy 1.0 2.07842307692 5.93457692308 173 173 A 446 LEU H A 438 TYR H 1.0 2.12642307692 6.30257692308 174 174 A 441 ALA H A 442 ASP H 1.0 2.08830000000 6.01030000000 175 175 A 434 GLU H A 433 SER H 1.0 2.18430000000 6.74630000000 176 176 A 434 GLU H A 435 TRP H 1.0 2.07066923077 5.87513076923 177 177 A 447 TYR H A 457 TRP HA 1.0 2.14476923077 6.44323076923 178 178 A 458 GLU H A 457 TRP HA 1.0 2.09900769231 6.09239230769 179 179 A 428 GLY HAy A 429 ALA H 1.0 2.02435384615 5.52004615385 180 180 A 457 TRP H A 458 GLU H 1.0 1.86930000000 4.33130000000 181 181 A 430 THR HA A 431 ALA H 1.0 1.90966153846 4.64073846154 182 182 A 431 ALA H A 430 THR HB 1.0 2.10461538462 6.13538461538 183 183 A 457 TRP HE3 A 446 LEU HBy 1.0 2.30813076923 7.69566923077 184 184 A 457 TRP HE3 A 446 LEU HBx 1.0 2.27536153846 7.44443846154 185 185 A 457 TRP HE3 A 444 LYS HBy 1.0 2.14809230769 6.46870769231 186 186 A 444 LYS HBy A 457 TRP HZ3 1.0 2.10747692308 6.15732307692 187 187 A 444 LYS HGy A 457 TRP HZ3 1.0 2.16807692308 6.62192307692 188 188 A 444 LYS HBx A 457 TRP HZ3 1.0 2.11765384615 6.23534615385 189 189 A 435 TRP HB2 A 463 LEU HDy% 1.0 2.18353846154 6.74046153846 190 190 A 435 TRP HB3 A 463 LEU HDy% 1.0 2.17601538462 6.68278461538 191 191 A 456 THR HG2% A 460 PRO HGx 1.0 2.18503846154 6.75196153846 192 192 A 429 ALA HA A 430 THR H 1.0 1.85118461538 4.19241538462 193 193 A 453 LEU HD2% A 448 TYR HE% 1.0 2.14977692308 6.48162307692 194 194 A 448 TYR H A 457 TRP HZ2 1.0 2.11497692308 6.21482307692 195 195 A 438 TYR HE% A 448 TYR HBx 1.0 2.11123846154 6.18616153846 196 196 A 437 GLU HBx A 447 TYR HD% 1.0 2.15552307692 6.52567692308 197 197 A 437 GLU HBx A 447 TYR HE% 1.0 2.11329230769 6.20190769231 198 198 A 438 TYR H A 437 GLU HGx 1.0 2.11255384615 6.19624615385 199 199 A 463 LEU HDx% A 447 TYR HE% 1.0 2.20137692308 6.87722307692 200 200 A 463 LEU HDx% A 447 TYR HD% 1.0 2.19752307692 6.84767692308 201 201 A 437 GLU HA A 447 TYR HD% 1.0 2.14384615385 6.43615384615 202 202 A 437 GLU HA A 447 TYR HE% 1.0 2.19814615385 6.85245384615 203 203 A 447 TYR HD% A 460 PRO HDy 1.0 1.99975384615 5.33144615385 204 204 A 447 TYR HE% A 460 PRO HDy 1.0 2.04673846154 5.69166153846 205 205 A 457 TRP H A 456 THR HB 1.0 2.06081538462 5.79958461538 206 206 A 433 SER H A 432 VAL H 1.0 2.06757692308 5.85142307692 207 207 A 433 SER HA A 435 TRP H 1.0 2.11663846154 6.22756153846 208 208 A 435 TRP H A 434 GLU HGx 1.0 2.04648461538 5.68971538462 209 209 A 443 GLY H A 442 ASP HBx 1.0 2.19763846154 6.84856153846 210 210 A 442 ASP H A 443 GLY H 1.0 1.95999230769 5.02660769231 211 211 A 450 ASN H A 451 ARG H 1.0 1.25000000000 2.25000000000 212 212 A 457 TRP HZ3 A 444 LYS HGx 1.0 2.17947692308 6.70932307692 213 213 A 440 THR HG2% A 457 TRP HZ3 1.0 2.24667692308 7.22452307692 214 214 A 447 TYR HD% A 463 LEU HBx 1.0 2.21801538462 7.00478461538 215 215 A 447 TYR HE% A 463 LEU HBx 1.0 2.20133076923 6.87686923077 216 216 A 448 TYR HE% A 453 LEU HBy 1.0 2.20230000000 6.88430000000 217 217 A 450 ASN HBy A 448 TYR HE% 1.0 2.10500769231 6.13839230769 218 218 A 448 TYR H A 438 TYR HD% 1.0 2.16274615385 6.58105384615 219 219 A 435 TRP HD1 A 462 GLU HGx 1.0 2.04480000000 5.67680000000 220 220 A 435 TRP HD1 A 462 GLU HBx 1.0 2.02906153846 5.55613846154 221 221 A 434 GLU HBy A 435 TRP HD1 1.0 2.07023076923 5.87176923077 222 222 A 434 GLU HBx A 435 TRP HD1 1.0 2.08444615385 5.98075384615 223 223 A 458 GLU H A 456 THR HG2% 1.0 2.11128461538 6.18651538462 224 224 A 435 TRP H A 433 SER HBy 1.0 2.17391538462 6.66668461538 225 225 A 441 ALA H A 440 THR HG2% 1.0 1.98953076923 5.25306923077 226 226 A 448 TYR H A 447 TYR HBx 1.0 2.03773846154 5.62266153846 227 227 A 442 ASP H A 444 LYS H 1.0 2.12882307692 6.32097692308 228 228 A 445 THR H A 444 LYS H 1.0 2.14324615385 6.43155384615 229 229 A 447 TYR HA A 438 TYR H 1.0 2.09953846154 6.09646153846 230 230 A 446 LEU H A 438 TYR H 1.0 2.10200769231 6.11539230769 231 231 A 440 THR HB A 442 ASP H 1.0 2.12933076923 6.32486923077 232 232 A 446 LEU HA A 457 TRP HA 1.0 2.11998461538 6.25321538462 233 233 A 435 TRP HA A 449 ASN HA 1.0 2.08444615385 5.98075384615 234 234 A 436 THR HG2% A 438 TYR HD% 1.0 2.15360769231 6.51099230769 235 235 A 436 THR HG2% A 448 TYR HD% 1.0 2.21937692308 7.01522307692 236 236 A 452 THR HG2% A 449 ASN HD2y 1.0 2.18386153846 6.74293846154 237 237 A 454 GLU H A 452 THR HG2% 1.0 2.21086153846 6.94993846154 238 238 A 445 THR H A 444 LYS HDx 1.0 2.13987692308 6.40572307692 239 239 A 457 TRP HZ3 A 444 LYS HEx 1.0 2.11631538462 6.22508461538 240 240 A 439 LYS HA A 447 TYR HE% 1.0 2.21162307692 6.95577692308 241 241 A 453 LEU HA A 448 TYR HD% 1.0 2.19630000000 6.83830000000 242 242 A 438 TYR HE% A 444 LYS HBy 1.0 2.18065384615 6.71834615385 243 243 A 438 TYR HE% A 444 LYS HBx 1.0 2.17786153846 6.69693846154 244 244 A 438 TYR HE% A 444 LYS HGy 1.0 2.14765384615 6.46534615385 245 245 A 454 GLU HBx A 435 TRP HH2 1.0 2.14015384615 6.40784615385 246 246 A 454 GLU HBy A 435 TRP HH2 1.0 2.10452307692 6.13467692308 247 247 A 454 GLU HGx A 435 TRP HH2 1.0 2.14476923077 6.44323076923 248 248 A 454 GLU HGy A 435 TRP HH2 1.0 2.15718461538 6.53841538462 249 249 A 449 ASN HBy A 435 TRP HH2 1.0 2.17560000000 6.67960000000 250 250 A 460 PRO HGx A 435 TRP HE1 1.0 2.16456923077 6.59503076923 251 251 A 460 PRO HGy A 435 TRP HE1 1.0 2.18021538462 6.71498461538 252 252 A 448 TYR HBx A 457 TRP HE1 1.0 2.24757692308 7.23142307692 253 253 A 455 SER HBx A 457 TRP HE1 1.0 2.29592307692 7.60207692308 254 254 A 436 THR H A 435 TRP HE3 1.0 2.06757692308 5.85142307692 255 255 A 436 THR H A 448 TYR HD% 1.0 2.21552307692 6.98567692308 256 256 A 436 THR H A 438 TYR HE% 1.0 2.22212307692 7.03627692308 257 257 A 448 TYR H A 447 TYR HD% 1.0 2.18520000000 6.75320000000 258 258 A 448 TYR H A 438 TYR HE% 1.0 2.19138461538 6.80061538462 259 259 A 436 THR H A 435 TRP H 1.0 2.16602307692 6.60617692308 260 260 A 437 GLU H A 438 TYR H 1.0 2.14703076923 6.46056923077 261 261 A 440 THR H A 441 ALA H 1.0 2.15460000000 6.51860000000 262 262 A 446 LEU H A 438 TYR HD% 1.0 2.20541538462 6.90818461538 263 263 A 446 LEU H A 438 TYR HE% 1.0 2.21383846154 6.97276153846 264 264 A 440 THR H A 438 TYR HE% 1.0 2.20982307692 6.94197692308 265 265 A 440 THR H A 438 TYR HD% 1.0 2.14562307692 6.44977692308 266 266 A 457 TRP H A 447 TYR HE% 1.0 2.22964615385 7.09395384615 267 267 A 452 THR H A 454 GLU H 1.0 2.14573846154 6.45066153846 268 268 A 435 TRP HZ2 A 449 ASN HD2y 1.0 2.06053846154 5.79746153846 269 269 A 454 GLU H A 449 ASN HBx 1.0 2.10851538462 6.16528461538 270 270 A 449 ASN HBx A 435 TRP HZ2 1.0 2.15217692308 6.50002307692 271 271 A 464 LYS H A 463 LEU HDx% 1.0 2.22085384615 7.02654615385 272 272 A 464 LYS H A 463 LEU HDy% 1.0 2.24376923077 7.20223076923 273 273 A 464 LYS H A 463 LEU HBy 1.0 2.10717692308 6.15502307692 274 274 A 460 PRO HDx A 459 LYS HDx 1.0 2.09268461538 6.04391538462 275 275 A 460 PRO HDx A 459 LYS HGx 1.0 2.04055384615 5.64424615385 276 276 A 460 PRO HDx A 459 LYS HBx 1.0 2.06513076923 5.83266923077 277 277 A 460 PRO HDx A 459 LYS HBy 1.0 2.10893076923 6.16846923077 278 278 A 447 TYR HD% A 459 LYS HDx 1.0 2.14176923077 6.42023076923 279 279 A 447 TYR HE% A 459 LYS HDx 1.0 2.07293076923 5.89246923077 280 280 A 438 TYR H A 445 THR HG2% 1.0 2.17135384615 6.64704615385 281 281 A 447 TYR HE% A 459 LYS HBy 1.0 2.14331538462 6.43208461538 282 282 A 435 TRP HB2 A 463 LEU HDx% 1.0 2.18843076923 6.77796923077 283 283 A 435 TRP HB3 A 463 LEU HDx% 1.0 2.22510000000 7.05910000000 284 284 A 447 TYR HBy A 456 THR HG2% 1.0 2.09928461538 6.09451538462 285 285 A 456 THR HG2% A 447 TYR HBx 1.0 2.11343076923 6.20296923077 286 286 A 456 THR HG2% A 454 GLU HGx 1.0 2.19770769231 6.84909230769 287 287 A 435 TRP HE3 A 447 TYR HBx 1.0 1.97616923077 5.15063076923 288 288 A 435 TRP HZ3 A 447 TYR HBx 1.0 2.06963076923 5.86716923077 289 289 A 435 TRP HD1 A 460 PRO HGx 1.0 2.11765384615 6.23534615385 290 290 A 435 TRP HH2 A 460 PRO HGx 1.0 2.18584615385 6.75815384615 291 291 A 454 GLU H A 449 ASN HBy 1.0 2.03676923077 5.61523076923 292 292 A 459 LYS H A 458 GLU HBx 1.0 2.10842307692 6.16457692308 293 293 A 462 GLU HBx A 449 ASN HD2y 1.0 2.09296153846 6.04603846154 294 294 A 434 GLU HBy A 449 ASN HD2y 1.0 2.10572307692 6.14387692308 295 295 A 434 GLU HBx A 449 ASN HD2y 1.0 2.12125384615 6.26294615385 296 296 A 445 THR HG2% A 439 LYS HEx 1.0 2.15670000000 6.53470000000 297 297 A 445 THR HG2% A 458 GLU HGy 1.0 2.11827692308 6.24012307692 298 298 A 439 LYS HBy A 445 THR HG2% 1.0 2.18866153846 6.77973846154 299 299 A 439 LYS HGy A 445 THR HG2% 1.0 2.12577692308 6.29762307692 300 300 A 439 LYS HBx A 445 THR HG2% 1.0 2.09476153846 6.05983846154 stop_ save_