data_nef_c25315_2mwf 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 2MWF BMRB 25309 BMRB 25310 BMRB 25311 BMRB 25313 BMRB 25314 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 433 SER start . . 2 A 434 GLU middle . . 3 A 435 TRP middle . . 4 A 436 THR middle . . 5 A 437 GLU middle . . 6 A 438 ARG middle . . 7 A 439 LYS middle . . 8 A 440 THR middle . . 9 A 441 ALA middle . . 10 A 442 ASP middle . . 11 A 443 GLY middle . false 12 A 444 LYS middle . . 13 A 445 THR middle . . 14 A 446 TYR middle . . 15 A 447 TYR middle . . 16 A 448 TYR middle . . 17 A 449 ASN middle . . 18 A 450 ASN middle . . 19 A 451 ARG middle . . 20 A 452 THR middle . . 21 A 453 LEU middle . . 22 A 454 GLU middle . . 23 A 455 SER middle . . 24 A 456 THR middle . . 25 A 457 TRP middle . . 26 A 458 GLU middle . . 27 A 459 LYS middle . . 28 A 460 PRO middle . false 29 A 461 GLN middle . . 30 A 462 GLU middle . . 31 A 463 LEU middle . . 32 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 433 SER HA H 1 4.376 0.020 A 433 SER HBy H 1 3.821 0.020 A 433 SER HBx H 1 3.687 0.020 A 434 GLU H H 1 8.874 0.020 A 434 GLU HA H 1 4.061 0.020 A 434 GLU HBy H 1 1.735 0.020 A 434 GLU HBx H 1 1.624 0.020 A 434 GLU HGx H 1 1.849 0.020 A 435 TRP H H 1 8.232 0.020 A 435 TRP HA H 1 5.060 0.020 A 435 TRP HBy H 1 2.922 0.020 A 435 TRP HBx H 1 2.724 0.020 A 435 TRP HD1 H 1 7.042 0.020 A 435 TRP HE1 H 1 10.054 0.020 A 435 TRP HE3 H 1 7.096 0.020 A 435 TRP HH2 H 1 6.833 0.020 A 435 TRP HZ2 H 1 7.298 0.020 A 435 TRP HZ3 H 1 6.720 0.020 A 436 THR H H 1 9.295 0.020 A 436 THR HA H 1 4.533 0.020 A 436 THR HB H 1 3.906 0.020 A 436 THR HG2% H 1 1.096 0.020 A 437 GLU H H 1 8.570 0.020 A 437 GLU HA H 1 4.165 0.020 A 437 GLU HBy H 1 1.720 0.020 A 437 GLU HBx H 1 1.637 0.020 A 437 GLU HGx H 1 1.848 0.020 A 438 ARG H H 1 8.540 0.020 A 438 ARG HA H 1 4.167 0.020 A 438 ARG HBy H 1 1.072 0.020 A 438 ARG HBx H 1 -0.265 0.020 A 439 LYS H H 1 7.837 0.020 A 439 LYS HA H 1 5.304 0.020 A 439 LYS HBy H 1 1.437 0.020 A 439 LYS HBx H 1 1.385 0.020 A 439 LYS HDx H 1 1.261 0.020 A 439 LYS HEx H 1 2.653 0.020 A 439 LYS HGy H 1 1.328 0.020 A 439 LYS HGx H 1 1.095 0.020 A 440 THR H H 1 9.151 0.020 A 440 THR HA H 1 4.632 0.020 A 440 THR HB H 1 4.448 0.020 A 440 THR HG1 H 1 6.201 0.020 A 440 THR HG2% H 1 1.319 0.020 A 441 ALA H H 1 9.083 0.020 A 441 ALA HA H 1 3.971 0.020 A 441 ALA HB% H 1 1.273 0.020 A 442 ASP H H 1 7.887 0.020 A 442 ASP HA H 1 4.473 0.020 A 442 ASP HBy H 1 2.665 0.020 A 442 ASP HBx H 1 2.443 0.020 A 443 GLY H H 1 7.785 0.020 A 443 GLY HAx H 1 3.425 0.020 A 443 GLY HAy H 1 3.975 0.020 A 444 LYS H H 1 7.816 0.020 A 444 LYS HA H 1 4.359 0.020 A 444 LYS HBy H 1 1.847 0.020 A 444 LYS HBx H 1 1.350 0.020 A 444 LYS HDx H 1 1.150 0.020 A 444 LYS HEx H 1 2.556 0.020 A 444 LYS HGy H 1 1.258 0.020 A 444 LYS HGx H 1 1.186 0.020 A 445 THR H H 1 8.641 0.020 A 445 THR HA H 1 4.697 0.020 A 445 THR HB H 1 3.747 0.020 A 445 THR HG2% H 1 0.714 0.020 A 446 TYR H H 1 8.534 0.020 A 446 TYR HA H 1 4.313 0.020 A 446 TYR HBy H 1 2.427 0.020 A 446 TYR HBx H 1 2.082 0.020 A 446 TYR HDy H 1 6.565 0.020 A 446 TYR HEy H 1 6.141 0.020 A 447 TYR H H 1 8.687 0.020 A 447 TYR HA H 1 4.926 0.020 A 447 TYR HBy H 1 2.460 0.020 A 447 TYR HBx H 1 2.403 0.020 A 447 TYR HDx H 1 6.559 0.020 A 447 TYR HEx H 1 6.484 0.020 A 448 TYR H H 1 9.086 0.020 A 448 TYR HA H 1 5.356 0.020 A 448 TYR HBx H 1 2.426 0.020 A 448 TYR HBy H 1 2.494 0.020 A 448 TYR HDy H 1 6.697 0.020 A 448 TYR HEy H 1 6.385 0.020 A 449 ASN H H 1 7.983 0.020 A 449 ASN HA H 1 4.019 0.020 A 449 ASN HBy H 1 2.094 0.020 A 449 ASN HBx H 1 -0.207 0.020 A 449 ASN HD2y H 1 7.039 0.020 A 449 ASN HD2x H 1 4.240 0.020 A 450 ASN H H 1 8.311 0.020 A 450 ASN HA H 1 3.925 0.020 A 450 ASN HBy H 1 2.566 0.020 A 450 ASN HBx H 1 2.498 0.020 A 450 ASN HD2y H 1 7.164 0.020 A 450 ASN HD2x H 1 6.818 0.020 A 451 ARG H H 1 8.323 0.020 A 451 ARG HA H 1 4.059 0.020 A 451 ARG HBy H 1 1.699 0.020 A 451 ARG HBx H 1 1.391 0.020 A 451 ARG HDy H 1 3.053 0.020 A 451 ARG HDx H 1 2.794 0.020 A 451 ARG HE H 1 7.782 0.020 A 451 ARG HGy H 1 1.240 0.020 A 451 ARG HGx H 1 1.047 0.020 A 452 THR H H 1 7.717 0.020 A 452 THR HA H 1 3.777 0.020 A 452 THR HB H 1 3.988 0.020 A 452 THR HG2% H 1 0.712 0.020 A 453 LEU H H 1 7.670 0.020 A 453 LEU HA H 1 3.499 0.020 A 453 LEU HBy H 1 1.860 0.020 A 453 LEU HBx H 1 1.503 0.020 A 453 LEU HDx% H 1 0.624 0.020 A 453 LEU HDy% H 1 0.546 0.020 A 453 LEU HG H 1 1.067 0.020 A 454 GLU H H 1 6.932 0.020 A 454 GLU HA H 1 4.200 0.020 A 454 GLU HBy H 1 1.685 0.020 A 454 GLU HBx H 1 1.525 0.020 A 454 GLU HGy H 1 2.015 0.020 A 454 GLU HGx H 1 1.890 0.020 A 455 SER H H 1 8.223 0.020 A 455 SER HA H 1 5.784 0.020 A 455 SER HBx H 1 3.469 0.020 A 456 THR H H 1 9.235 0.020 A 456 THR HA H 1 4.575 0.020 A 456 THR HB H 1 4.035 0.020 A 456 THR HG2% H 1 0.943 0.020 A 457 TRP H H 1 8.384 0.020 A 457 TRP HA H 1 4.719 0.020 A 457 TRP HBy H 1 3.443 0.020 A 457 TRP HBx H 1 2.953 0.020 A 457 TRP HD1 H 1 7.183 0.020 A 457 TRP HE1 H 1 9.924 0.020 A 457 TRP HE3 H 1 7.856 0.020 A 457 TRP HH2 H 1 6.833 0.020 A 457 TRP HZ2 H 1 7.108 0.020 A 457 TRP HZ3 H 1 6.683 0.020 A 458 GLU H H 1 7.941 0.020 A 458 GLU HA H 1 4.194 0.020 A 458 GLU HBy H 1 1.578 0.020 A 458 GLU HBx H 1 1.542 0.020 A 458 GLU HGx H 1 1.939 0.020 A 459 LYS H H 1 8.234 0.020 A 459 LYS HA H 1 2.389 0.020 A 459 LYS HBy H 1 1.246 0.020 A 459 LYS HBx H 1 1.157 0.020 A 459 LYS HDy H 1 0.809 0.020 A 459 LYS HDx H 1 0.275 0.020 A 459 LYS HGx H 1 1.098 0.020 A 460 PRO HA H 1 3.716 0.020 A 460 PRO HBy H 1 1.049 0.020 A 460 PRO HBx H 1 0.825 0.020 A 460 PRO HDy H 1 2.542 0.020 A 460 PRO HDx H 1 1.980 0.020 A 460 PRO HGy H 1 0.108 0.020 A 460 PRO HGx H 1 -0.057 0.020 A 461 GLN H H 1 8.356 0.020 A 461 GLN HA H 1 3.531 0.020 A 461 GLN HBy H 1 1.773 0.020 A 461 GLN HBx H 1 1.722 0.020 A 461 GLN HE2y H 1 7.398 0.020 A 461 GLN HE2x H 1 6.706 0.020 A 461 GLN HGx H 1 2.124 0.020 A 462 GLU H H 1 8.756 0.020 A 462 GLU HA H 1 4.050 0.020 A 462 GLU HBx H 1 1.787 0.020 A 462 GLU HGx H 1 1.938 0.020 A 463 LEU H H 1 7.341 0.020 A 463 LEU HA H 1 4.236 0.020 A 463 LEU HBy H 1 1.301 0.020 A 463 LEU HBx H 1 1.061 0.020 A 463 LEU HDx% H 1 0.687 0.020 A 463 LEU HDy% H 1 0.618 0.020 A 463 LEU HG H 1 1.349 0.020 A 464 LYS H H 1 7.414 0.020 A 464 LYS HA H 1 3.741 0.020 A 464 LYS HBy H 1 1.587 0.020 A 464 LYS HBx H 1 1.488 0.020 A 464 LYS HDy H 1 1.167 0.020 A 464 LYS HDx H 1 1.013 0.020 A 464 LYS HGy H 1 1.266 0.020 A 464 LYS HGx H 1 1.010 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 1.90119230769 4.57580769231 2 2 A 439 LYS HA A 446 TYR H 1.0 2.11700769231 6.23039230769 3 3 A 455 SER HA A 456 THR H 1.0 1.96640769231 5.07579230769 4 4 A 455 SER HA A 449 ASN H 1.0 2.16756923077 6.61803076923 5 5 A 449 ASN H A 448 TYR HA 1.0 1.95244615385 4.96875384615 6 6 A 447 TYR HA A 448 TYR H 1.0 1.96343076923 5.05296923077 7 7 A 447 TYR HA A 438 ARG H 1.0 2.13521538462 6.36998461538 8 8 A 438 ARG HA A 439 LYS H 1.0 1.95311538462 4.97388461538 9 9 A 455 SER HA A 448 TYR HA 1.0 2.09466923077 6.05913076923 10 10 A 439 LYS HA A 445 THR HA 1.0 2.23232307692 7.11447692308 11 11 A 446 TYR HA A 447 TYR H 1.0 2.00780769231 5.39319230769 12 12 A 446 TYR H A 445 THR HA 1.0 1.92646153846 4.76953846154 13 13 A 435 TRP HA A 436 THR H 1.0 1.94280000000 4.89480000000 14 14 A 436 THR H A 449 ASN HA 1.0 2.18021538462 6.71498461538 15 15 A 436 THR HB A 437 GLU H 1.0 2.07309230769 5.89370769231 16 16 A 437 GLU H A 436 THR HA 1.0 1.90873846154 4.63366153846 17 17 A 438 ARG H A 437 GLU HA 1.0 1.89549230769 4.53210769231 18 18 A 448 TYR H A 437 GLU HA 1.0 2.17823076923 6.69976923077 19 19 A 456 THR H A 455 SER HBx 1.0 2.07966923077 5.94413076923 20 20 A 435 TRP HA A 450 ASN H 1.0 2.13311538462 6.35388461538 21 21 A 449 ASN HA A 450 ASN H 1.0 1.93287692308 4.81872307692 22 22 A 450 ASN HA A 451 ARG H 1.0 2.09023846154 6.02516153846 23 23 A 451 ARG HA A 452 THR H 1.0 2.17774615385 6.69605384615 24 24 A 452 THR HA A 453 LEU H 1.0 2.14922307692 6.47737692308 25 25 A 453 LEU HA A 454 GLU H 1.0 2.12808461538 6.31531538462 26 26 A 456 THR HA A 457 TRP H 1.0 1.90733076923 4.62286923077 27 27 A 444 LYS HA A 445 THR H 1.0 1.88217692308 4.43002307692 28 28 A 433 SER HA A 434 GLU H 1.0 1.95588461538 4.99511538462 29 29 A 434 GLU HA A 435 TRP H 1.0 1.90313076923 4.59066923077 30 30 A 434 GLU H A 433 SER HBy 1.0 2.17412307692 6.66827692308 31 31 A 434 GLU H A 433 SER HBx 1.0 2.17977692308 6.71162307692 32 32 A 435 TRP H A 433 SER HBx 1.0 2.14546153846 6.44853846154 33 33 A 440 THR HB A 441 ALA H 1.0 2.14677692308 6.45862307692 34 34 A 454 GLU HA A 455 SER H 1.0 1.96416923077 5.05863076923 35 35 A 457 TRP HBy A 458 GLU H 1.0 2.19572307692 6.83387692308 36 36 A 441 ALA H A 440 THR HA 1.0 2.13133846154 6.34026153846 37 37 A 440 THR H A 445 THR HA 1.0 2.15803846154 6.54496153846 38 38 A 441 ALA HA A 442 ASP H 1.0 2.16323076923 6.58476923077 39 39 A 442 ASP HA A 443 GLY H 1.0 2.09642307692 6.07257692308 40 40 A 446 TYR HA A 457 TRP HE3 1.0 2.12180769231 6.26719230769 41 41 A 435 TRP H A 434 GLU HBx 1.0 2.12769230769 6.31230769231 42 42 A 435 TRP H A 434 GLU HBy 1.0 2.15139230769 6.49400769231 43 43 A 436 THR H A 435 TRP HBy 1.0 2.19666923077 6.84113076923 44 44 A 436 THR H A 435 TRP HBx 1.0 2.14382307692 6.43597692308 45 45 A 437 GLU H A 436 THR HG2% 1.0 2.17500000000 6.67500000000 46 46 A 438 ARG H A 437 GLU HBy 1.0 2.07715384615 5.92484615385 47 47 A 439 LYS H A 438 ARG HBy 1.0 2.02615384615 5.53384615385 48 48 A 439 LYS H A 438 ARG HBx 1.0 2.13020769231 6.33159230769 49 49 A 438 ARG HBx A 446 TYR HD% 1.0 2.23008461538 7.09731538462 50 50 A 436 THR HG2% A 448 TYR HE% 1.0 2.32022307692 7.78837692308 51 51 A 440 THR H A 439 LYS HGy 1.0 1.99218461538 5.27341538462 52 52 A 440 THR H A 439 LYS HBy 1.0 2.09118461538 6.03241538462 53 53 A 440 THR H A 439 LYS HBx 1.0 2.13925384615 6.40094615385 54 54 A 442 ASP H A 441 ALA HB% 1.0 2.15870769231 6.55009230769 55 55 A 443 GLY H A 442 ASP HBy 1.0 2.21877692308 7.01062307692 56 56 A 443 GLY HAy A 444 LYS H 1.0 2.19027692308 6.79212307692 57 57 A 444 LYS H A 443 GLY HAx 1.0 2.17112307692 6.64527692308 58 58 A 445 THR H A 444 LYS HBy 1.0 2.07006923077 5.87053076923 59 59 A 445 THR H A 444 LYS HGy 1.0 2.24028461538 7.17551538462 60 60 A 445 THR H A 444 LYS HBx 1.0 2.25380769231 7.27919230769 61 61 A 446 TYR H A 445 THR HG2% 1.0 2.11610769231 6.22349230769 62 62 A 447 TYR H A 446 TYR HBy 1.0 2.08287692308 5.96872307692 63 63 A 447 TYR H A 446 TYR HBx 1.0 1.96054615385 5.03085384615 64 64 A 448 TYR H A 447 TYR HBy 1.0 2.11437692308 6.21022307692 65 65 A 449 ASN H A 448 TYR HBx 1.0 2.17608461538 6.68331538462 66 66 A 448 TYR HBx A 438 ARG HE 1.0 2.27139230769 7.41400769231 67 67 A 450 ASN H A 449 ASN HBy 1.0 2.19909230769 6.85970769231 68 68 A 450 ASN H A 449 ASN HBx 1.0 2.19634615385 6.83865384615 69 69 A 451 ARG H A 450 ASN HBy 1.0 2.06194615385 5.80825384615 70 70 A 451 ARG H A 450 ASN HBx 1.0 2.07454615385 5.90485384615 71 71 A 452 THR H A 451 ARG HGx 1.0 2.18072307692 6.71887692308 72 72 A 452 THR H A 451 ARG HGy 1.0 2.23836923077 7.16083076923 73 73 A 452 THR H A 451 ARG HBx 1.0 2.11712307692 6.23127692308 74 74 A 452 THR H A 451 ARG HBy 1.0 2.04950769231 5.71289230769 75 75 A 457 TRP H A 456 THR HG2% 1.0 2.22327692308 7.04512307692 76 76 A 453 LEU H A 452 THR HG2% 1.0 2.24794615385 7.23425384615 77 77 A 455 SER H A 454 GLU HGy 1.0 2.16549230769 6.60210769231 78 78 A 455 SER H A 454 GLU HGx 1.0 2.14583076923 6.45136923077 79 79 A 455 SER H A 454 GLU HBy 1.0 2.11121538462 6.18598461538 80 80 A 455 SER H A 454 GLU HBx 1.0 2.15633076923 6.53186923077 81 81 A 453 LEU H A 454 GLU H 1.0 2.04646153846 5.68953846154 82 82 A 452 THR H A 453 LEU H 1.0 1.94028461538 4.87551538462 83 83 A 451 ARG H A 452 THR H 1.0 1.97436923077 5.13683076923 84 84 A 451 ARG H A 453 LEU H 1.0 2.12351538462 6.28028461538 85 85 A 456 THR H A 447 TYR H 1.0 2.10168461538 6.11291538462 86 86 A 463 LEU H A 462 GLU H 1.0 2.06044615385 5.79675384615 87 87 A 463 LEU H A 464 LYS H 1.0 1.97550000000 5.14550000000 88 88 A 440 THR H A 444 LYS H 1.0 2.09559230769 6.06620769231 89 89 A 443 GLY H A 444 LYS H 1.0 1.85215384615 4.19984615385 90 90 A 448 TYR H A 436 THR H 1.0 2.09190000000 6.03790000000 91 91 A 458 GLU H A 457 TRP HBx 1.0 2.14982307692 6.48197692308 92 92 A 458 GLU HA A 459 LYS H 1.0 1.85379230769 4.21240769231 93 93 A 459 LYS H A 458 GLU HGx 1.0 2.14474615385 6.44305384615 94 94 A 459 LYS H A 458 GLU HBy 1.0 2.09074615385 6.02905384615 95 95 A 459 LYS HA A 460 PRO HDx 1.0 1.97967692308 5.17752307692 96 96 A 440 THR HB A 446 TYR HE% 1.0 2.11398461538 6.20721538462 97 97 A 448 TYR HBx A 446 TYR HE% 1.0 2.09372307692 6.05187692308 98 98 A 438 ARG HBy A 446 TYR HE% 1.0 2.18192307692 6.72807692308 99 99 A 438 ARG HBx A 446 TYR HE% 1.0 2.17550769231 6.67889230769 100 100 A 446 TYR HE% A 440 THR HG2% 1.0 2.15277692308 6.50462307692 101 101 A 448 TYR HBx A 438 ARG HDx 1.0 2.18270769231 6.73409230769 102 101 A 448 TYR HBx A 438 ARG HDy 1.0 2.18270769231 6.73409230769 103 102 A 458 GLU HA A 447 TYR HD% 1.0 2.28925384615 7.55094615385 104 103 A 458 GLU HA A 447 TYR HE% 1.0 2.10311538462 6.12388461538 105 104 A 450 ASN HA A 448 TYR HE% 1.0 2.08077692308 5.95262307692 106 105 A 453 LEU HA A 448 TYR HE% 1.0 2.16567692308 6.60352307692 107 106 A 455 SER HBx A 448 TYR HE% 1.0 2.24310000000 7.19710000000 108 107 A 455 SER HBx A 446 TYR HD% 1.0 2.09106923077 6.03153076923 109 108 A 455 SER HBx A 446 TYR HE% 1.0 2.16692307692 6.61307692308 110 109 A 446 TYR HD% A 440 THR HG2% 1.0 2.12118461538 6.26241538462 111 110 A 456 THR HG2% A 447 TYR HD% 1.0 2.29407692308 7.58792307692 112 111 A 445 THR HG2% A 447 TYR HD% 1.0 2.26705384615 7.38074615385 113 112 A 445 THR HG2% A 447 TYR HE% 1.0 2.18556923077 6.75603076923 114 113 A 447 TYR HE% A 437 GLU HGx 1.0 2.14024615385 6.40855384615 115 114 A 460 PRO HDx A 447 TYR HE% 1.0 2.14931538462 6.47808461538 116 115 A 456 THR HG2% A 447 TYR HE% 1.0 2.18593846154 6.75886153846 117 116 A 448 TYR HE% A 453 LEU HBx 1.0 2.20003846154 6.86696153846 118 117 A 447 TYR HE% A 459 LYS HGx 1.0 2.14080000000 6.41280000000 119 118 A 446 TYR HE% A 448 TYR HD% 1.0 2.17629230769 6.68490769231 120 119 A 446 TYR HE% A 448 TYR HD% 1.0 2.16263076923 6.58016923077 121 120 A 455 SER HA A 448 TYR HD% 1.0 2.17013076923 6.63766923077 122 121 A 447 TYR HBy A 435 TRP HE3 1.0 2.03326153846 5.58833846154 123 122 A 455 SER HBx A 448 TYR HD% 1.0 2.16433846154 6.59326153846 124 123 A 436 THR HB A 448 TYR HD% 1.0 2.19960000000 6.86360000000 125 124 A 450 ASN HA A 448 TYR HD% 1.0 2.17527692308 6.67712307692 126 125 A 456 THR HG2% A 435 TRP HE3 1.0 2.22251538462 7.03928461538 127 126 A 449 ASN HBx A 435 TRP HE3 1.0 2.17996153846 6.71303846154 128 127 A 451 ARG HA A 435 TRP HH2 1.0 2.12940000000 6.32540000000 129 128 A 451 ARG HA A 435 TRP HZ3 1.0 2.20003846154 6.86696153846 130 129 A 447 TYR HBy A 435 TRP HZ3 1.0 2.10593076923 6.14546923077 131 130 A 456 THR HG2% A 435 TRP HZ3 1.0 2.10687692308 6.15272307692 132 131 A 456 THR HG2% A 435 TRP HH2 1.0 2.12709230769 6.30770769231 133 132 A 449 ASN HBx A 435 TRP HZ3 1.0 2.14959230769 6.48020769231 134 133 A 449 ASN HBx A 435 TRP HH2 1.0 2.17873846154 6.70366153846 135 134 A 456 THR HG2% A 435 TRP HZ2 1.0 2.23119230769 7.10580769231 136 135 A 449 ASN HD2x A 435 TRP HE1 1.0 2.12960769231 6.32699230769 137 136 A 435 TRP HE1 A 460 PRO HBy 1.0 2.16466153846 6.59573846154 138 137 A 435 TRP HE1 A 460 PRO HBx 1.0 2.19203076923 6.80556923077 139 138 A 446 TYR H A 438 ARG H 1.0 1.89775384615 4.54944615385 140 139 A 441 ALA H A 442 ASP H 1.0 2.24404615385 7.20435384615 141 140 A 434 GLU H A 435 TRP H 1.0 2.02816153846 5.54923846154 142 141 A 447 TYR H A 457 TRP HA 1.0 2.22720000000 7.07520000000 143 142 A 458 GLU H A 457 TRP HA 1.0 2.15605384615 6.52974615385 144 143 A 440 THR HA A 442 ASP H 1.0 2.05490769231 5.75429230769 145 144 A 457 TRP H A 458 GLU H 1.0 1.97563846154 5.14656153846 146 145 A 457 TRP HE3 A 446 TYR HBy 1.0 2.24254615385 7.19285384615 147 146 A 457 TRP HE3 A 446 TYR HBx 1.0 2.04683076923 5.69236923077 148 147 A 457 TRP HE3 A 444 LYS HBy 1.0 2.08746923077 6.00393076923 149 148 A 444 LYS HBy A 457 TRP HH2 1.0 2.11253076923 6.19606923077 150 149 A 444 LYS HBy A 457 TRP HZ3 1.0 2.03046923077 5.56693076923 151 150 A 444 LYS HGy A 457 TRP HH2 1.0 2.19401538462 6.82078461538 152 151 A 444 LYS HGy A 457 TRP HZ3 1.0 2.19865384615 6.85634615385 153 152 A 444 LYS HBx A 457 TRP HZ3 1.0 2.19145384615 6.80114615385 154 153 A 446 TYR HBx A 457 TRP HZ3 1.0 2.06753076923 5.85106923077 155 154 A 446 TYR HBy A 457 TRP HZ3 1.0 1.96640769231 5.07579230769 156 155 A 439 LYS HA A 446 TYR HD% 1.0 2.17091538462 6.64368461538 157 156 A 439 LYS HA A 446 TYR HE% 1.0 2.20938461538 6.93861538462 158 157 A 435 TRP HA A 449 ASN HA 1.0 2.12820000000 6.31620000000 159 158 A 456 THR HG2% A 460 PRO HGy 1.0 2.27520000000 7.44320000000 160 159 A 456 THR HG2% A 460 PRO HGx 1.0 2.22346153846 7.04653846154 161 160 A 448 TYR HE% A 453 LEU HDy% 1.0 2.21723076923 6.99876923077 162 161 A 448 TYR H A 457 TRP HZ2 1.0 2.13814615385 6.39245384615 163 162 A 438 ARG HE A 448 TYR HBy 1.0 2.24300769231 7.19639230769 164 163 A 437 GLU HBy A 447 TYR HE% 1.0 2.04563076923 5.68316923077 165 164 A 438 ARG H A 437 GLU HGx 1.0 2.17015384615 6.63784615385 166 165 A 437 GLU HA A 447 TYR HD% 1.0 2.29534615385 7.59765384615 167 166 A 437 GLU HA A 447 TYR HE% 1.0 2.09706923077 6.07753076923 168 167 A 447 TYR HD% A 460 PRO HDy 1.0 2.31701538462 7.76378461538 169 168 A 447 TYR HE% A 460 PRO HDy 1.0 2.11451538462 6.21128461538 170 169 A 457 TRP H A 456 THR HB 1.0 2.17816153846 6.69923846154 171 170 A 444 LYS HA A 446 TYR HD% 1.0 2.29225384615 7.57394615385 172 171 A 433 SER HA A 435 TRP H 1.0 2.18651538462 6.76328461538 173 172 A 435 TRP H A 434 GLU HGx 1.0 2.17299230769 6.65960769231 174 173 A 443 GLY H A 442 ASP HBx 1.0 2.24739230769 7.23000769231 175 174 A 442 ASP H A 443 GLY H 1.0 2.01650769231 5.45989230769 176 175 A 450 ASN H A 451 ARG H 1.0 1.25000000000 2.25000000000 177 176 A 457 TRP HZ3 A 444 LYS HGx 1.0 2.23151538462 7.10828461538 178 177 A 444 LYS HBx A 457 TRP HH2 1.0 2.17313076923 6.66066923077 179 178 A 440 THR HG2% A 457 TRP HZ3 1.0 2.15148461538 6.49471538462 180 179 A 440 THR HG2% A 457 TRP HH2 1.0 2.11123846154 6.18616153846 181 180 A 440 THR HG2% A 457 TRP HZ2 1.0 2.25410769231 7.28149230769 182 181 A 448 TYR HE% A 453 LEU HBy 1.0 2.24935384615 7.24504615385 183 182 A 448 TYR HE% A 450 ASN HBx 1.0 2.19480000000 6.82680000000 184 183 A 448 TYR H A 446 TYR HD% 1.0 2.29093846154 7.56386153846 185 184 A 434 GLU HBy A 435 TRP HD1 1.0 2.18466923077 6.74913076923 186 185 A 434 GLU HBx A 435 TRP HD1 1.0 2.18743846154 6.77036153846 187 186 A 458 GLU H A 456 THR HG2% 1.0 2.14250769231 6.42589230769 188 187 A 435 TRP H A 433 SER HBy 1.0 2.22616153846 7.06723846154 189 188 A 441 ALA H A 440 THR HG2% 1.0 2.27949230769 7.47610769231 190 189 A 456 THR H A 446 TYR HBy 1.0 2.18056153846 6.71763846154 191 190 A 456 THR H A 446 TYR HBx 1.0 2.16456923077 6.59503076923 192 191 A 455 SER HA A 446 TYR HD% 1.0 2.19916153846 6.86023846154 193 192 A 442 ASP H A 440 THR HG1 1.0 2.12868461538 6.31991538462 194 193 A 435 TRP HE1 A 460 PRO HGy 1.0 2.24423076923 7.20576923077 195 194 A 435 TRP HE1 A 460 PRO HGx 1.0 2.24226923077 7.19073076923 196 195 A 460 PRO HGy A 435 TRP HD1 1.0 2.20324615385 6.89155384615 197 196 A 460 PRO HGx A 435 TRP HD1 1.0 2.23451538462 7.13128461538 198 197 A 460 PRO HBx A 435 TRP HD1 1.0 2.20253076923 6.88606923077 199 198 A 460 PRO HBy A 435 TRP HD1 1.0 2.20003846154 6.86696153846 200 199 A 435 TRP HZ2 A 460 PRO HBy 1.0 2.17167692308 6.64952307692 201 200 A 435 TRP HZ2 A 460 PRO HGx 1.0 2.23174615385 7.11005384615 202 201 A 448 TYR HE% A 453 LEU HDx% 1.0 2.30293846154 7.65586153846 203 202 A 436 THR HG2% A 448 TYR HD% 1.0 2.22796153846 7.08103846154 204 203 A 454 GLU HGx A 435 TRP HH2 1.0 2.16620769231 6.60759230769 205 204 A 436 THR HG2% A 446 TYR HD% 1.0 2.32723846154 7.84216153846 206 205 A 452 THR HG2% A 449 ASN HD2y 1.0 2.20013076923 6.86766923077 207 206 A 435 TRP HE1 A 434 GLU HGx 1.0 2.20811538462 6.92888461538 208 207 A 438 ARG H A 437 GLU HBx 1.0 2.25630000000 7.29830000000 209 208 A 434 GLU HGx A 435 TRP HD1 1.0 2.11204615385 6.19235384615 210 209 A 440 THR H A 436 THR HG2% 1.0 2.25205384615 7.26574615385 211 210 A 437 GLU HBy A 445 THR HG2% 1.0 2.13826153846 6.39333846154 212 211 A 437 GLU HBy A 445 THR HG2% 1.0 2.13826153846 6.39333846154 213 212 A 439 LYS HBy A 445 THR HG2% 1.0 2.28039230769 7.48300769231 214 213 A 447 TYR HBy A 456 THR HG2% 1.0 2.11610769231 6.22349230769 215 214 A 456 THR HG2% A 447 TYR HBx 1.0 2.12319230769 6.27780769231 216 215 A 435 TRP HZ2 A 449 ASN HD2x 1.0 2.10445384615 6.13414615385 217 216 A 447 TYR HA A 437 GLU HA 1.0 2.17774615385 6.69605384615 218 217 A 447 TYR HE% A 459 LYS HBx 1.0 2.18713846154 6.76806153846 219 218 A 447 TYR HE% A 459 LYS HBy 1.0 2.20283076923 6.88836923077 220 219 A 445 THR HG2% A 439 LYS HDx 1.0 2.25417692308 7.28202307692 221 220 A 445 THR HG2% A 439 LYS HGx 1.0 2.19983076923 6.86536923077 222 221 A 460 PRO HA A 461 GLN H 1.0 1.89660000000 4.54060000000 223 222 A 462 GLU H A 461 GLN HA 1.0 2.04443076923 5.67396923077 224 223 A 462 GLU H A 460 PRO HA 1.0 2.17959230769 6.71020769231 225 224 A 462 GLU H A 461 GLN HBy 1.0 2.08006153846 5.94713846154 226 225 A 462 GLU H A 460 PRO HBy 1.0 2.14786153846 6.46693846154 227 226 A 462 GLU H A 460 PRO HBx 1.0 2.09928461538 6.09451538462 228 227 A 460 PRO HBy A 461 GLN H 1.0 2.13673846154 6.38166153846 229 228 A 460 PRO HBx A 461 GLN H 1.0 2.15130000000 6.49330000000 230 229 A 463 LEU H A 462 GLU HA 1.0 2.10708461538 6.15431538462 231 230 A 463 LEU H A 460 PRO HA 1.0 2.24236153846 7.19143846154 232 231 A 464 LYS H A 463 LEU HA 1.0 2.01987692308 5.48572307692 233 232 A 464 LYS H A 461 GLN HA 1.0 2.17158461538 6.64881538462 234 233 A 464 LYS H A 463 LEU HG 1.0 2.20922307692 6.93737692308 235 234 A 447 TYR HE% A 463 LEU HDx% 1.0 2.21453076923 6.97806923077 236 235 A 447 TYR HE% A 463 LEU HDy% 1.0 2.12603076923 6.29956923077 237 236 A 447 TYR HE% A 463 LEU HBx 1.0 2.14629230769 6.45490769231 238 237 A 447 TYR HE% A 459 LYS HDy 1.0 2.14848461538 6.47171538462 239 238 A 447 TYR HE% A 460 PRO HGy 1.0 2.24951538462 7.24628461538 240 239 A 447 TYR HE% A 460 PRO HGx 1.0 2.25803076923 7.31156923077 241 240 A 434 GLU HGx A 449 ASN HD2y 1.0 2.15623846154 6.53116153846 242 241 A 434 GLU HBy A 449 ASN HD2y 1.0 2.15596153846 6.52903846154 243 242 A 434 GLU HBx A 449 ASN HD2y 1.0 2.16006923077 6.56053076923 244 243 A 453 LEU H A 449 ASN HBx 1.0 2.20963846154 6.94056153846 245 244 A 453 LEU H A 449 ASN HBy 1.0 2.14700769231 6.46039230769 246 245 A 464 LYS H A 461 GLN HGx 1.0 2.13597692308 6.37582307692 247 246 A 463 LEU H A 461 GLN HGx 1.0 2.19521538462 6.82998461538 248 247 A 435 TRP HE3 A 460 PRO HGy 1.0 2.19918461538 6.86041538462 249 248 A 435 TRP HE3 A 460 PRO HGx 1.0 2.19699230769 6.84360769231 250 249 A 463 LEU H A 460 PRO HBx 1.0 2.14195384615 6.42164615385 251 250 A 463 LEU H A 460 PRO HGy 1.0 2.19962307692 6.86377692308 252 251 A 435 TRP HBy A 460 PRO HGy 1.0 2.23040769231 7.09979230769 253 252 A 435 TRP HBx A 460 PRO HGy 1.0 2.18771538462 6.77248461538 254 253 A 435 TRP HBy A 460 PRO HGx 1.0 2.24356153846 7.20063846154 255 254 A 435 TRP HBx A 460 PRO HGx 1.0 2.23802307692 7.15817692308 256 255 A 446 TYR HD% A 444 LYS HBy 1.0 2.27526923077 7.44373076923 257 256 A 451 ARG H A 453 LEU HDy% 1.0 2.27847692308 7.46832307692 258 257 A 451 ARG H A 452 THR HG2% 1.0 2.23963846154 7.17056153846 stop_ save_