data_nef_c16596_2kqe 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 2KQB PDB 2KQC PDB 2KQD PDB 2KQE 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 3 1 ADN O2' 4 1 RIB C1 1 59 CYS SG 2 1 ZN ZN 1 65 CYS SG 2 1 ZN ZN 1 72 HIS NE2 2 1 ZN ZN 1 78 HIS NE2 2 1 ZN ZN 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 363 GLY start . false 2 A 364 PRO middle . false 3 A 365 LEU middle . . 4 A 366 GLY middle . false 5 A 367 SER middle . . 6 A 368 GLY middle . false 7 A 369 SER middle . . 8 A 370 GLU middle . . 9 A 371 GLY middle . false 10 A 372 ASN middle . . 11 A 373 LYS middle . . 12 A 374 VAL middle . . 13 A 375 LYS middle . . 14 A 376 ARG middle . . 15 A 377 THR middle . . 16 A 378 SER middle . . 17 A 379 CYS middle . . 18 A 380 MET middle . . 19 A 381 TYR middle . . 20 A 382 GLY middle . false 21 A 383 ALA middle . . 22 A 384 ASN middle . . 23 A 385 CYS middle . . 24 A 386 TYR middle . . 25 A 387 ARG middle . . 26 A 388 LYS middle . . 27 A 389 ASN middle . . 28 A 390 PRO middle . false 29 A 391 VAL middle . . 30 A 392 HIS middle . . 31 A 393 PHE middle . . 32 A 394 GLN middle . . 33 A 395 HIS middle . . 34 A 396 PHE middle . . 35 A 397 SER middle . . 36 A 398 HIS middle . . 37 A 399 PRO middle . false 38 A 400 GLY middle . false 39 A 401 ASP middle . . 40 A 402 SER middle . . 41 A 403 ASP middle . . 42 A 404 TYR middle . . 43 A 405 GLY middle . false 44 A 406 GLY middle . false 45 A 407 VAL middle . . 46 A 408 GLN middle . . 47 A 409 ILE middle . . 48 A 410 VAL middle . . 49 A 411 GLY middle . false 50 A 412 GLN middle . . 51 A 413 ASP middle . . 52 A 414 GLU middle . . 53 A 415 THR middle . . 54 A 416 ASP middle . . 55 A 417 ASP middle . . 56 A 418 ARG middle . . 57 A 419 PRO middle . false 58 A 420 GLU middle . . 59 A 421 CYS middle -HG . 60 A 422 PRO middle . false 61 A 423 TYR middle . . 62 A 424 GLY middle . false 63 A 425 PRO middle . false 64 A 426 SER middle . . 65 A 427 CYS middle -HG . 66 A 428 TYR middle . . 67 A 429 ARG middle . . 68 A 430 LYS middle . . 69 A 431 ASN middle . . 70 A 432 PRO middle . false 71 A 433 GLN middle . . 72 A 434 HIS middle -HE2 . 73 A 435 LYS middle . . 74 A 436 ILE middle . . 75 A 437 GLU middle . . 76 A 438 TYR middle . . 77 A 439 ARG middle . . 78 A 440 HIS middle -HE2 . 79 A 441 ASN middle . . 80 A 442 THR middle . . 81 A 443 LEU middle . . 82 A 444 PRO middle . false 83 A 445 VAL middle . . 84 A 446 ARG middle . . 85 A 447 ASN middle . . 86 A 448 VAL middle . . 87 A 449 LEU middle . . 88 A 450 ASP middle . . 89 A 451 GLU end . . 90 C 1 ZN . . . 91 B 1 ADN . -HO2' . 92 D 1 RIB . . . 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 364 PRO HA H 1 4.519 0.020 A 364 PRO HBy H 1 2.362 0.020 A 364 PRO HBx H 1 1.992 0.020 A 364 PRO HD2 H 1 3.627 0.020 A 364 PRO HD3 H 1 3.627 0.020 A 364 PRO HG2 H 1 2.055 0.020 A 364 PRO HG3 H 1 2.055 0.020 A 364 PRO CA C 13 63.238 0.100 A 364 PRO CB C 13 32.338 0.100 A 364 PRO CD C 13 49.775 0.100 A 364 PRO CG C 13 27.009 0.100 A 365 LEU H H 1 8.557 0.020 A 365 LEU HA H 1 4.406 0.020 A 365 LEU HB2 H 1 1.645 0.020 A 365 LEU HB3 H 1 1.645 0.020 A 365 LEU HDx% H 1 0.972 0.020 A 365 LEU HDy% H 1 0.932 0.020 A 365 LEU HG H 1 1.715 0.020 A 365 LEU CA C 13 55.436 0.100 A 365 LEU CB C 13 42.304 0.100 A 365 LEU CDy C 13 24.887 0.100 A 365 LEU CDx C 13 23.544 0.100 A 365 LEU CG C 13 27.067 0.100 A 365 LEU N N 15 122.297 0.100 A 366 GLY H H 1 8.443 0.020 A 366 GLY HAx H 1 4.040 0.020 A 366 GLY HAy H 1 4.056 0.020 A 366 GLY CA C 13 45.361 0.100 A 366 GLY N N 15 110.040 0.100 A 367 SER H H 1 8.374 0.020 A 367 SER HA H 1 4.521 0.020 A 367 SER HBy H 1 3.964 0.020 A 367 SER HBx H 1 3.913 0.020 A 367 SER CA C 13 58.573 0.100 A 367 SER CB C 13 64.058 0.100 A 367 SER N N 15 116.007 0.100 A 368 GLY H H 1 8.639 0.020 A 368 GLY HAy H 1 4.095 0.020 A 368 GLY HAx H 1 4.067 0.020 A 368 GLY CA C 13 45.494 0.100 A 368 GLY N N 15 111.362 0.100 A 369 SER H H 1 8.313 0.020 A 369 SER HA H 1 4.516 0.020 A 369 SER HBy H 1 3.959 0.020 A 369 SER HBx H 1 3.911 0.020 A 369 SER CA C 13 58.583 0.100 A 369 SER CB C 13 63.973 0.100 A 369 SER N N 15 115.885 0.100 A 370 GLU H H 1 8.630 0.020 A 370 GLU HA H 1 4.330 0.020 A 370 GLU HBy H 1 2.133 0.020 A 370 GLU HBx H 1 2.013 0.020 A 370 GLU HG2 H 1 2.327 0.020 A 370 GLU HG3 H 1 2.327 0.020 A 370 GLU CA C 13 57.138 0.100 A 370 GLU CB C 13 29.984 0.100 A 370 GLU CG C 13 36.293 0.100 A 370 GLU N N 15 122.682 0.100 A 371 GLY H H 1 8.394 0.020 A 371 GLY HA2 H 1 3.976 0.020 A 371 GLY HA3 H 1 3.976 0.020 A 371 GLY CA C 13 45.469 0.100 A 371 GLY N N 15 109.245 0.100 A 372 ASN H H 1 8.283 0.020 A 372 ASN HA H 1 4.732 0.020 A 372 ASN HBy H 1 2.854 0.020 A 372 ASN HBx H 1 2.782 0.020 A 372 ASN HD21 H 1 7.605 0.020 A 372 ASN HD22 H 1 6.946 0.020 A 372 ASN CA C 13 53.263 0.100 A 372 ASN CB C 13 38.961 0.100 A 372 ASN N N 15 118.662 0.100 A 372 ASN ND2 N 15 112.888 0.100 A 373 LYS H H 1 8.264 0.020 A 373 LYS HA H 1 4.360 0.020 A 373 LYS HBy H 1 1.853 0.020 A 373 LYS HBx H 1 1.784 0.020 A 373 LYS HD2 H 1 1.704 0.020 A 373 LYS HD3 H 1 1.704 0.020 A 373 LYS HE2 H 1 3.023 0.020 A 373 LYS HE3 H 1 3.023 0.020 A 373 LYS HGy H 1 1.484 0.020 A 373 LYS HGx H 1 1.418 0.020 A 373 LYS CA C 13 56.413 0.100 A 373 LYS CB C 13 33.054 0.100 A 373 LYS CD C 13 29.140 0.100 A 373 LYS CE C 13 42.223 0.100 A 373 LYS CG C 13 24.773 0.100 A 373 LYS N N 15 121.729 0.100 A 374 VAL H H 1 8.114 0.020 A 374 VAL HA H 1 4.086 0.020 A 374 VAL HB H 1 2.025 0.020 A 374 VAL HGx% H 1 0.912 0.020 A 374 VAL HGy% H 1 0.880 0.020 A 374 VAL CA C 13 62.169 0.100 A 374 VAL CB C 13 32.862 0.100 A 374 VAL CGx C 13 20.770 0.100 A 374 VAL CGy C 13 21.227 0.100 A 374 VAL N N 15 121.704 0.100 A 375 LYS H H 1 8.415 0.020 A 375 LYS HA H 1 4.383 0.020 A 375 LYS HBy H 1 1.841 0.020 A 375 LYS HBx H 1 1.761 0.020 A 375 LYS HD2 H 1 1.703 0.020 A 375 LYS HD3 H 1 1.703 0.020 A 375 LYS HE2 H 1 3.021 0.020 A 375 LYS HE3 H 1 3.021 0.020 A 375 LYS HG2 H 1 1.421 0.020 A 375 LYS HG3 H 1 1.421 0.020 A 375 LYS CA C 13 55.989 0.100 A 375 LYS CB C 13 33.159 0.100 A 375 LYS CD C 13 29.156 0.100 A 375 LYS CE C 13 42.203 0.100 A 375 LYS CG C 13 24.756 0.100 A 375 LYS N N 15 126.419 0.100 A 376 ARG H H 1 8.753 0.020 A 376 ARG HA H 1 4.363 0.020 A 376 ARG HBy H 1 1.802 0.020 A 376 ARG HBx H 1 1.489 0.020 A 376 ARG HDy H 1 3.158 0.020 A 376 ARG HDx H 1 2.687 0.020 A 376 ARG HGy H 1 1.669 0.020 A 376 ARG HGx H 1 1.489 0.020 A 376 ARG CA C 13 56.293 0.100 A 376 ARG CB C 13 32.331 0.100 A 376 ARG CD C 13 44.259 0.100 A 376 ARG CG C 13 26.170 0.100 A 376 ARG N N 15 123.397 0.100 A 377 THR H H 1 8.081 0.020 A 377 THR HA H 1 4.398 0.020 A 377 THR HB H 1 4.027 0.020 A 377 THR HG2% H 1 1.350 0.020 A 377 THR CA C 13 61.533 0.100 A 377 THR CB C 13 70.409 0.100 A 377 THR CG2 C 13 21.805 0.100 A 377 THR N N 15 117.600 0.100 A 378 SER H H 1 8.614 0.020 A 378 SER HA H 1 4.853 0.020 A 378 SER HBy H 1 3.663 0.020 A 378 SER HBx H 1 3.580 0.020 A 378 SER CA C 13 59.098 0.100 A 378 SER CB C 13 63.763 0.100 A 378 SER N N 15 121.120 0.100 A 379 CYS H H 1 9.252 0.020 A 379 CYS HA H 1 3.994 0.020 A 379 CYS HBy H 1 2.539 0.020 A 379 CYS HBx H 1 2.163 0.020 A 379 CYS CA C 13 60.962 0.100 A 379 CYS CB C 13 29.581 0.100 A 379 CYS N N 15 127.790 0.100 A 380 MET H H 1 8.831 0.020 A 380 MET HA H 1 4.212 0.020 A 380 MET HBy H 1 1.917 0.020 A 380 MET HBx H 1 1.910 0.020 A 380 MET HE% H 1 1.949 0.020 A 380 MET HGy H 1 2.210 0.020 A 380 MET HGx H 1 1.792 0.020 A 380 MET CA C 13 58.209 0.100 A 380 MET CB C 13 31.936 0.100 A 380 MET CE C 13 16.887 0.100 A 380 MET CG C 13 30.651 0.100 A 380 MET N N 15 130.017 0.100 A 381 TYR H H 1 8.701 0.020 A 381 TYR HA H 1 4.579 0.020 A 381 TYR HBy H 1 3.031 0.020 A 381 TYR HBx H 1 2.936 0.020 A 381 TYR HDx H 1 7.235 0.020 A 381 TYR HDy H 1 7.235 0.020 A 381 TYR HEx H 1 6.827 0.020 A 381 TYR HEy H 1 6.827 0.020 A 381 TYR CA C 13 58.762 0.100 A 381 TYR CB C 13 37.595 0.100 A 381 TYR CDx C 13 133.153 0.100 A 381 TYR CDy C 13 133.153 0.100 A 381 TYR CEx C 13 118.445 0.100 A 381 TYR CEy C 13 118.445 0.100 A 381 TYR N N 15 120.369 0.100 A 382 GLY H H 1 7.760 0.020 A 382 GLY HAx H 1 3.710 0.020 A 382 GLY HAy H 1 4.085 0.020 A 382 GLY CA C 13 47.627 0.100 A 382 GLY N N 15 107.481 0.100 A 383 ALA H H 1 9.248 0.020 A 383 ALA HA H 1 4.354 0.020 A 383 ALA HB% H 1 1.506 0.020 A 383 ALA CA C 13 53.398 0.100 A 383 ALA CB C 13 18.808 0.100 A 383 ALA N N 15 128.449 0.100 A 384 ASN H H 1 8.261 0.020 A 384 ASN HA H 1 4.944 0.020 A 384 ASN HBy H 1 3.117 0.020 A 384 ASN HBx H 1 2.835 0.020 A 384 ASN HD21 H 1 7.766 0.020 A 384 ASN HD22 H 1 7.065 0.020 A 384 ASN CA C 13 52.140 0.100 A 384 ASN CB C 13 38.940 0.100 A 384 ASN N N 15 115.516 0.100 A 384 ASN ND2 N 15 113.728 0.100 A 385 CYS H H 1 7.174 0.020 A 385 CYS HA H 1 3.736 0.020 A 385 CYS HB2 H 1 3.186 0.020 A 385 CYS HB3 H 1 3.186 0.020 A 385 CYS CA C 13 61.867 0.100 A 385 CYS CB C 13 29.434 0.100 A 385 CYS N N 15 121.580 0.100 A 386 TYR H H 1 7.680 0.020 A 386 TYR HA H 1 4.858 0.020 A 386 TYR HB2 H 1 3.033 0.020 A 386 TYR HB3 H 1 3.033 0.020 A 386 TYR HDx H 1 7.002 0.020 A 386 TYR HDy H 1 7.002 0.020 A 386 TYR HEx H 1 6.663 0.020 A 386 TYR HEy H 1 6.663 0.020 A 386 TYR CA C 13 56.348 0.100 A 386 TYR CB C 13 38.216 0.100 A 386 TYR CDx C 13 133.351 0.100 A 386 TYR CDy C 13 133.351 0.100 A 386 TYR CEx C 13 118.274 0.100 A 386 TYR CEy C 13 118.274 0.100 A 386 TYR N N 15 126.676 0.100 A 387 ARG H H 1 7.988 0.020 A 387 ARG HA H 1 4.054 0.020 A 387 ARG HBy H 1 1.422 0.020 A 387 ARG HBx H 1 1.214 0.020 A 387 ARG HDy H 1 2.643 0.020 A 387 ARG HDx H 1 2.553 0.020 A 387 ARG HGy H 1 1.090 0.020 A 387 ARG HGx H 1 0.526 0.020 A 387 ARG CA C 13 56.282 0.100 A 387 ARG CB C 13 29.894 0.100 A 387 ARG CD C 13 41.450 0.100 A 387 ARG CG C 13 26.511 0.100 A 387 ARG N N 15 123.491 0.100 A 388 LYS H H 1 8.951 0.020 A 388 LYS HA H 1 4.635 0.020 A 388 LYS HBy H 1 1.972 0.020 A 388 LYS HBx H 1 1.865 0.020 A 388 LYS HDy H 1 1.751 0.020 A 388 LYS HDx H 1 1.711 0.020 A 388 LYS HE2 H 1 3.064 0.020 A 388 LYS HE3 H 1 3.064 0.020 A 388 LYS HGy H 1 1.533 0.020 A 388 LYS HGx H 1 1.488 0.020 A 388 LYS CA C 13 55.605 0.100 A 388 LYS CB C 13 34.387 0.100 A 388 LYS CD C 13 28.900 0.100 A 388 LYS CE C 13 42.264 0.100 A 388 LYS CG C 13 24.614 0.100 A 388 LYS N N 15 118.569 0.100 A 389 ASN H H 1 8.400 0.020 A 389 ASN HA H 1 4.950 0.020 A 389 ASN HB2 H 1 2.987 0.020 A 389 ASN HB3 H 1 2.987 0.020 A 389 ASN HD21 H 1 8.172 0.020 A 389 ASN HD22 H 1 7.246 0.020 A 389 ASN CA C 13 51.827 0.100 A 389 ASN CB C 13 39.171 0.100 A 389 ASN N N 15 122.702 0.100 A 389 ASN ND2 N 15 115.482 0.100 A 390 PRO HA H 1 4.595 0.020 A 390 PRO HBy H 1 2.548 0.020 A 390 PRO HBx H 1 2.091 0.020 A 390 PRO HDy H 1 4.200 0.020 A 390 PRO HDx H 1 4.022 0.020 A 390 PRO HGy H 1 2.226 0.020 A 390 PRO HGx H 1 2.182 0.020 A 390 PRO CA C 13 65.632 0.100 A 390 PRO CB C 13 32.574 0.100 A 390 PRO CD C 13 51.307 0.100 A 390 PRO CG C 13 27.713 0.100 A 391 VAL H H 1 8.337 0.020 A 391 VAL HA H 1 3.818 0.020 A 391 VAL HB H 1 2.060 0.020 A 391 VAL HGx% H 1 1.091 0.020 A 391 VAL HGy% H 1 0.945 0.020 A 391 VAL CA C 13 65.608 0.100 A 391 VAL CB C 13 31.546 0.100 A 391 VAL CGy C 13 22.609 0.100 A 391 VAL CGx C 13 21.315 0.100 A 391 VAL N N 15 117.431 0.100 A 392 HIS H H 1 8.037 0.020 A 392 HIS HA H 1 4.565 0.020 A 392 HIS HBy H 1 3.278 0.020 A 392 HIS HBx H 1 3.117 0.020 A 392 HIS HD2 H 1 5.365 0.020 A 392 HIS HE1 H 1 7.590 0.020 A 392 HIS CA C 13 60.297 0.100 A 392 HIS CB C 13 27.700 0.100 A 392 HIS CD2 C 13 126.955 0.100 A 392 HIS CE1 C 13 140.050 0.100 A 392 HIS N N 15 120.267 0.100 A 393 PHE H H 1 7.059 0.020 A 393 PHE HA H 1 4.465 0.020 A 393 PHE HBy H 1 3.451 0.020 A 393 PHE HBx H 1 3.004 0.020 A 393 PHE HDx H 1 7.257 0.020 A 393 PHE HDy H 1 7.257 0.020 A 393 PHE HEx H 1 6.872 0.020 A 393 PHE HEy H 1 6.872 0.020 A 393 PHE HZ H 1 7.294 0.020 A 393 PHE CA C 13 59.951 0.100 A 393 PHE CB C 13 38.577 0.100 A 393 PHE CDx C 13 131.674 0.100 A 393 PHE CDy C 13 131.674 0.100 A 393 PHE CEx C 13 131.277 0.100 A 393 PHE CEy C 13 131.277 0.100 A 393 PHE CZ C 13 131.136 0.100 A 393 PHE N N 15 114.802 0.100 A 394 GLN H H 1 7.671 0.020 A 394 GLN HA H 1 4.261 0.020 A 394 GLN HBy H 1 2.152 0.020 A 394 GLN HBx H 1 2.034 0.020 A 394 GLN HE21 H 1 7.441 0.020 A 394 GLN HE22 H 1 6.837 0.020 A 394 GLN HGy H 1 2.498 0.020 A 394 GLN HGx H 1 2.326 0.020 A 394 GLN CA C 13 57.393 0.100 A 394 GLN CB C 13 28.710 0.100 A 394 GLN CG C 13 33.722 0.100 A 394 GLN N N 15 117.129 0.100 A 394 GLN NE2 N 15 111.046 0.100 A 395 HIS H H 1 7.581 0.020 A 395 HIS HA H 1 4.498 0.020 A 395 HIS HBy H 1 3.016 0.020 A 395 HIS HBx H 1 2.794 0.020 A 395 HIS HD2 H 1 7.063 0.020 A 395 HIS HE1 H 1 8.396 0.020 A 395 HIS CA C 13 56.467 0.100 A 395 HIS CB C 13 31.398 0.100 A 395 HIS CD2 C 13 119.241 0.100 A 395 HIS CE1 C 13 137.197 0.100 A 395 HIS N N 15 115.481 0.100 A 396 PHE H H 1 8.044 0.020 A 396 PHE HA H 1 5.398 0.020 A 396 PHE HBy H 1 2.534 0.020 A 396 PHE HBx H 1 2.074 0.020 A 396 PHE HDx H 1 7.145 0.020 A 396 PHE HDy H 1 7.145 0.020 A 396 PHE HEx H 1 7.456 0.020 A 396 PHE HEy H 1 7.456 0.020 A 396 PHE HZ H 1 7.375 0.020 A 396 PHE CA C 13 56.318 0.100 A 396 PHE CB C 13 41.617 0.100 A 396 PHE CDx C 13 132.071 0.100 A 396 PHE CDy C 13 132.071 0.100 A 396 PHE CEx C 13 131.413 0.100 A 396 PHE CEy C 13 131.413 0.100 A 396 PHE CZ C 13 130.037 0.100 A 396 PHE N N 15 117.547 0.100 A 397 SER H H 1 8.603 0.020 A 397 SER HA H 1 4.769 0.020 A 397 SER HBy H 1 3.957 0.020 A 397 SER HBx H 1 3.721 0.020 A 397 SER CA C 13 56.350 0.100 A 397 SER CB C 13 65.912 0.100 A 397 SER N N 15 114.732 0.100 A 398 HIS H H 1 9.538 0.020 A 398 HIS HA H 1 4.572 0.020 A 398 HIS HBy H 1 3.316 0.020 A 398 HIS HBx H 1 2.738 0.020 A 398 HIS HD2 H 1 7.272 0.020 A 398 HIS HE1 H 1 6.923 0.020 A 398 HIS CA C 13 56.432 0.100 A 398 HIS CB C 13 29.935 0.100 A 398 HIS CD2 C 13 126.313 0.100 A 398 HIS CE1 C 13 138.078 0.100 A 398 HIS N N 15 120.612 0.100 A 399 PRO HA H 1 3.457 0.020 A 399 PRO HBy H 1 2.172 0.020 A 399 PRO HBx H 1 1.779 0.020 A 399 PRO HDy H 1 3.439 0.020 A 399 PRO HDx H 1 2.976 0.020 A 399 PRO HGy H 1 1.903 0.020 A 399 PRO HGx H 1 1.627 0.020 A 399 PRO CA C 13 64.278 0.100 A 399 PRO CB C 13 30.979 0.100 A 399 PRO CD C 13 49.319 0.100 A 399 PRO CG C 13 27.515 0.100 A 400 GLY H H 1 8.832 0.020 A 400 GLY HAx H 1 3.593 0.020 A 400 GLY HAy H 1 4.522 0.020 A 400 GLY CA C 13 44.843 0.100 A 400 GLY N N 15 115.162 0.100 A 401 ASP H H 1 8.505 0.020 A 401 ASP HA H 1 4.938 0.020 A 401 ASP HBy H 1 3.202 0.020 A 401 ASP HBx H 1 3.003 0.020 A 401 ASP CA C 13 54.320 0.100 A 401 ASP CB C 13 41.893 0.100 A 401 ASP N N 15 121.905 0.100 A 402 SER H H 1 9.378 0.020 A 402 SER HA H 1 4.281 0.020 A 402 SER HB2 H 1 4.050 0.020 A 402 SER HB3 H 1 4.050 0.020 A 402 SER CA C 13 61.078 0.100 A 402 SER CB C 13 62.829 0.100 A 402 SER N N 15 119.493 0.100 A 403 ASP H H 1 8.924 0.020 A 403 ASP HA H 1 4.697 0.020 A 403 ASP HBy H 1 3.063 0.020 A 403 ASP HBx H 1 2.668 0.020 A 403 ASP CA C 13 52.287 0.100 A 403 ASP CB C 13 39.077 0.100 A 403 ASP N N 15 116.599 0.100 A 404 TYR H H 1 7.427 0.020 A 404 TYR HA H 1 4.452 0.020 A 404 TYR HBy H 1 3.073 0.020 A 404 TYR HBx H 1 2.949 0.020 A 404 TYR HDx H 1 7.067 0.020 A 404 TYR HDy H 1 7.067 0.020 A 404 TYR HEx H 1 6.872 0.020 A 404 TYR HEy H 1 6.872 0.020 A 404 TYR CA C 13 59.218 0.100 A 404 TYR CB C 13 39.543 0.100 A 404 TYR CDx C 13 133.560 0.100 A 404 TYR CDy C 13 133.560 0.100 A 404 TYR CEx C 13 117.979 0.100 A 404 TYR CEy C 13 117.979 0.100 A 404 TYR N N 15 122.560 0.100 A 405 GLY H H 1 7.715 0.020 A 405 GLY HAy H 1 3.743 0.020 A 405 GLY HAx H 1 3.704 0.020 A 405 GLY CA C 13 45.100 0.100 A 405 GLY N N 15 114.997 0.100 A 406 GLY H H 1 7.088 0.020 A 406 GLY HA2 H 1 3.887 0.020 A 406 GLY HA3 H 1 3.887 0.020 A 406 GLY CA C 13 45.011 0.100 A 406 GLY N N 15 107.744 0.100 A 407 VAL H H 1 8.064 0.020 A 407 VAL HA H 1 4.147 0.020 A 407 VAL HB H 1 2.084 0.020 A 407 VAL HGx% H 1 0.957 0.020 A 407 VAL HGy% H 1 0.955 0.020 A 407 VAL CA C 13 62.222 0.100 A 407 VAL CB C 13 32.899 0.100 A 407 VAL CGy C 13 21.296 0.100 A 407 VAL CGx C 13 20.442 0.100 A 407 VAL N N 15 119.029 0.100 A 408 GLN H H 1 8.506 0.020 A 408 GLN HA H 1 4.433 0.020 A 408 GLN HBy H 1 2.086 0.020 A 408 GLN HBx H 1 1.984 0.020 A 408 GLN HE21 H 1 7.524 0.020 A 408 GLN HE22 H 1 6.866 0.020 A 408 GLN HG2 H 1 2.367 0.020 A 408 GLN HG3 H 1 2.367 0.020 A 408 GLN CA C 13 55.631 0.100 A 408 GLN CB C 13 29.682 0.100 A 408 GLN CG C 13 33.819 0.100 A 408 GLN N N 15 124.737 0.100 A 408 GLN NE2 N 15 112.452 0.100 A 409 ILE H H 1 8.330 0.020 A 409 ILE HA H 1 4.237 0.020 A 409 ILE HB H 1 1.865 0.020 A 409 ILE HD1% H 1 0.869 0.020 A 409 ILE HG1y H 1 1.490 0.020 A 409 ILE HG1x H 1 1.207 0.020 A 409 ILE HG2% H 1 0.911 0.020 A 409 ILE CA C 13 60.885 0.100 A 409 ILE CB C 13 38.690 0.100 A 409 ILE CD1 C 13 12.784 0.100 A 409 ILE CG1 C 13 27.221 0.100 A 409 ILE CG2 C 13 17.515 0.100 A 409 ILE N N 15 123.582 0.100 A 410 VAL H H 1 8.298 0.020 A 410 VAL HA H 1 4.183 0.020 A 410 VAL HB H 1 2.087 0.020 A 410 VAL HGx% H 1 0.978 0.020 A 410 VAL HGy% H 1 0.975 0.020 A 410 VAL CA C 13 62.351 0.100 A 410 VAL CB C 13 32.841 0.100 A 410 VAL CGy C 13 21.268 0.100 A 410 VAL CGx C 13 20.722 0.100 A 410 VAL N N 15 125.073 0.100 A 411 GLY H H 1 8.609 0.020 A 411 GLY HAy H 1 4.032 0.020 A 411 GLY HAx H 1 4.008 0.020 A 411 GLY CA C 13 45.281 0.100 A 411 GLY N N 15 113.133 0.100 A 412 GLN H H 1 8.317 0.020 A 412 GLN HA H 1 4.403 0.020 A 412 GLN HB2 H 1 2.149 0.020 A 412 GLN HB3 H 1 2.149 0.020 A 412 GLN HE21 H 1 7.606 0.020 A 412 GLN HE22 H 1 6.888 0.020 A 412 GLN HG2 H 1 2.367 0.020 A 412 GLN HG3 H 1 2.367 0.020 A 412 GLN CA C 13 55.872 0.100 A 412 GLN CB C 13 29.678 0.100 A 412 GLN CG C 13 33.880 0.100 A 412 GLN N N 15 119.972 0.100 A 412 GLN NE2 N 15 112.535 0.100 A 413 ASP H H 1 8.533 0.020 A 413 ASP HA H 1 4.646 0.020 A 413 ASP HBy H 1 2.774 0.020 A 413 ASP HBx H 1 2.644 0.020 A 413 ASP CA C 13 54.459 0.100 A 413 ASP CB C 13 41.215 0.100 A 413 ASP N N 15 121.378 0.100 A 414 GLU H H 1 8.457 0.020 A 414 GLU HA H 1 4.392 0.020 A 414 GLU HBy H 1 2.138 0.020 A 414 GLU HBx H 1 1.987 0.020 A 414 GLU HG2 H 1 2.285 0.020 A 414 GLU HG3 H 1 2.285 0.020 A 414 GLU CA C 13 56.700 0.100 A 414 GLU CB C 13 30.238 0.100 A 414 GLU CG C 13 36.325 0.100 A 414 GLU N N 15 121.491 0.100 A 415 THR H H 1 8.263 0.020 A 415 THR HA H 1 4.306 0.020 A 415 THR HB H 1 4.212 0.020 A 415 THR HG2% H 1 1.204 0.020 A 415 THR CA C 13 62.113 0.100 A 415 THR CB C 13 69.912 0.100 A 415 THR CG2 C 13 21.731 0.100 A 415 THR N N 15 114.960 0.100 A 416 ASP H H 1 8.279 0.020 A 416 ASP HA H 1 4.661 0.020 A 416 ASP HBy H 1 2.861 0.020 A 416 ASP HBx H 1 2.627 0.020 A 416 ASP CA C 13 53.775 0.100 A 416 ASP CB C 13 41.188 0.100 A 416 ASP N N 15 123.335 0.100 A 417 ASP H H 1 8.428 0.020 A 417 ASP HA H 1 4.696 0.020 A 417 ASP CA C 13 53.549 0.100 A 417 ASP CB C 13 40.904 0.100 A 417 ASP N N 15 123.870 0.100 A 418 ARG H H 1 7.891 0.020 A 418 ARG HA H 1 4.413 0.020 A 418 ARG HBy H 1 1.689 0.020 A 418 ARG HBx H 1 1.667 0.020 A 418 ARG HDy H 1 3.276 0.020 A 418 ARG HDx H 1 2.796 0.020 A 418 ARG HGy H 1 1.796 0.020 A 418 ARG HGx H 1 1.672 0.020 A 418 ARG CA C 13 55.001 0.100 A 418 ARG CB C 13 30.612 0.100 A 418 ARG CD C 13 44.073 0.100 A 418 ARG CG C 13 26.348 0.100 A 418 ARG N N 15 121.518 0.100 A 419 PRO HA H 1 4.535 0.020 A 419 PRO HBy H 1 2.340 0.020 A 419 PRO HBx H 1 1.982 0.020 A 419 PRO HDy H 1 3.754 0.020 A 419 PRO HDx H 1 3.687 0.020 A 419 PRO HG2 H 1 1.853 0.020 A 419 PRO HG3 H 1 1.853 0.020 A 419 PRO CA C 13 61.998 0.100 A 419 PRO CB C 13 31.823 0.100 A 419 PRO CD C 13 50.164 0.100 A 419 PRO CG C 13 27.106 0.100 A 420 GLU H H 1 8.597 0.020 A 420 GLU HA H 1 4.225 0.020 A 420 GLU HB2 H 1 1.882 0.020 A 420 GLU HB3 H 1 1.882 0.020 A 420 GLU HGy H 1 2.233 0.020 A 420 GLU HGx H 1 2.191 0.020 A 420 GLU CA C 13 55.891 0.100 A 420 GLU CB C 13 30.367 0.100 A 420 GLU CG C 13 36.356 0.100 A 420 GLU N N 15 120.636 0.100 A 421 CYS H H 1 8.303 0.020 A 421 CYS HA H 1 4.099 0.020 A 421 CYS HBy H 1 2.406 0.020 A 421 CYS HBx H 1 1.789 0.020 A 421 CYS CA C 13 57.311 0.100 A 421 CYS CB C 13 29.319 0.100 A 421 CYS N N 15 127.139 0.100 A 422 PRO HA H 1 4.355 0.020 A 422 PRO HBy H 1 2.146 0.020 A 422 PRO HBx H 1 1.521 0.020 A 422 PRO HDy H 1 3.571 0.020 A 422 PRO HDx H 1 3.452 0.020 A 422 PRO HGy H 1 1.768 0.020 A 422 PRO HGx H 1 1.203 0.020 A 422 PRO CA C 13 64.044 0.100 A 422 PRO CB C 13 32.088 0.100 A 422 PRO CD C 13 51.580 0.100 A 422 PRO CG C 13 26.295 0.100 A 423 TYR H H 1 8.640 0.020 A 423 TYR HA H 1 4.545 0.020 A 423 TYR HBy H 1 3.145 0.020 A 423 TYR HBx H 1 2.967 0.020 A 423 TYR HDx H 1 7.177 0.020 A 423 TYR HDy H 1 7.177 0.020 A 423 TYR HEx H 1 6.768 0.020 A 423 TYR HEy H 1 6.768 0.020 A 423 TYR CA C 13 58.527 0.100 A 423 TYR CB C 13 37.549 0.100 A 423 TYR CDx C 13 133.004 0.100 A 423 TYR CDy C 13 133.004 0.100 A 423 TYR CEx C 13 118.119 0.100 A 423 TYR CEy C 13 118.119 0.100 A 423 TYR N N 15 119.569 0.100 A 424 GLY H H 1 7.606 0.020 A 424 GLY HAx H 1 4.021 0.020 A 424 GLY HAy H 1 4.379 0.020 A 424 GLY CA C 13 45.770 0.100 A 424 GLY N N 15 107.733 0.100 A 425 PRO HA H 1 4.560 0.020 A 425 PRO HB2 H 1 2.459 0.020 A 425 PRO HB3 H 1 2.459 0.020 A 425 PRO HDy H 1 3.977 0.020 A 425 PRO HDx H 1 3.763 0.020 A 425 PRO HG2 H 1 2.109 0.020 A 425 PRO HG3 H 1 2.109 0.020 A 425 PRO CA C 13 64.402 0.100 A 425 PRO CB C 13 32.223 0.100 A 425 PRO CD C 13 50.654 0.100 A 425 PRO CG C 13 27.201 0.100 A 426 SER H H 1 8.072 0.020 A 426 SER HA H 1 4.566 0.020 A 426 SER HB2 H 1 4.038 0.020 A 426 SER HB3 H 1 4.038 0.020 A 426 SER CA C 13 57.738 0.100 A 426 SER CB C 13 63.162 0.100 A 426 SER N N 15 112.851 0.100 A 427 CYS H H 1 7.606 0.020 A 427 CYS HA H 1 3.724 0.020 A 427 CYS HBy H 1 3.338 0.020 A 427 CYS HBx H 1 3.058 0.020 A 427 CYS CA C 13 61.712 0.100 A 427 CYS CB C 13 29.798 0.100 A 427 CYS N N 15 123.514 0.100 A 428 TYR H H 1 7.686 0.020 A 428 TYR HA H 1 4.782 0.020 A 428 TYR HBy H 1 3.128 0.020 A 428 TYR HBx H 1 2.989 0.020 A 428 TYR HDx H 1 7.071 0.020 A 428 TYR HDy H 1 7.071 0.020 A 428 TYR HEx H 1 6.737 0.020 A 428 TYR HEy H 1 6.737 0.020 A 428 TYR CA C 13 56.505 0.100 A 428 TYR CB C 13 38.153 0.100 A 428 TYR CDx C 13 133.560 0.100 A 428 TYR CDy C 13 133.560 0.100 A 428 TYR CEx C 13 118.267 0.100 A 428 TYR CEy C 13 118.267 0.100 A 428 TYR N N 15 126.466 0.100 A 429 ARG H H 1 7.969 0.020 A 429 ARG HA H 1 4.012 0.020 A 429 ARG HBy H 1 1.508 0.020 A 429 ARG HBx H 1 1.203 0.020 A 429 ARG HDy H 1 2.466 0.020 A 429 ARG HDx H 1 2.373 0.020 A 429 ARG HGy H 1 1.194 0.020 A 429 ARG HGx H 1 1.009 0.020 A 429 ARG CA C 13 57.177 0.100 A 429 ARG CB C 13 29.875 0.100 A 429 ARG CD C 13 42.234 0.100 A 429 ARG CG C 13 26.779 0.100 A 429 ARG N N 15 123.918 0.100 A 432 PRO HA H 1 4.254 0.020 A 432 PRO HB2 H 1 2.470 0.020 A 432 PRO HB3 H 1 2.470 0.020 A 432 PRO HDy H 1 4.107 0.020 A 432 PRO HDx H 1 3.945 0.020 A 432 PRO HGy H 1 2.219 0.020 A 432 PRO HGx H 1 2.104 0.020 A 432 PRO CA C 13 65.569 0.100 A 432 PRO CB C 13 32.244 0.100 A 432 PRO CD C 13 51.419 0.100 A 432 PRO CG C 13 27.639 0.100 A 433 GLN H H 1 8.407 0.020 A 433 GLN HA H 1 4.107 0.020 A 433 GLN HBy H 1 2.218 0.020 A 433 GLN HBx H 1 2.118 0.020 A 433 GLN HE21 H 1 7.801 0.020 A 433 GLN HE22 H 1 6.897 0.020 A 433 GLN HG2 H 1 2.499 0.020 A 433 GLN HG3 H 1 2.499 0.020 A 433 GLN CA C 13 58.510 0.100 A 433 GLN CB C 13 27.706 0.100 A 433 GLN CG C 13 33.702 0.100 A 433 GLN N N 15 116.801 0.100 A 433 GLN NE2 N 15 112.339 0.100 A 434 HIS H H 1 8.002 0.020 A 434 HIS HA H 1 4.575 0.020 A 434 HIS HBy H 1 3.398 0.020 A 434 HIS HBx H 1 3.389 0.020 A 434 HIS HD2 H 1 6.961 0.020 A 434 HIS HE1 H 1 7.660 0.020 A 434 HIS CA C 13 60.168 0.100 A 434 HIS CB C 13 28.212 0.100 A 434 HIS CD2 C 13 127.471 0.100 A 434 HIS CE1 C 13 139.924 0.100 A 434 HIS N N 15 119.182 0.100 A 435 LYS H H 1 7.260 0.020 A 435 LYS HA H 1 4.166 0.020 A 435 LYS HBy H 1 2.028 0.020 A 435 LYS HBx H 1 1.889 0.020 A 435 LYS HD2 H 1 1.614 0.020 A 435 LYS HD3 H 1 1.614 0.020 A 435 LYS HE2 H 1 2.899 0.020 A 435 LYS HE3 H 1 2.899 0.020 A 435 LYS HGy H 1 1.586 0.020 A 435 LYS HGx H 1 1.288 0.020 A 435 LYS CA C 13 58.305 0.100 A 435 LYS CB C 13 32.328 0.100 A 435 LYS CD C 13 29.149 0.100 A 435 LYS CE C 13 41.856 0.100 A 435 LYS CG C 13 25.768 0.100 A 435 LYS N N 15 113.956 0.100 A 436 ILE H H 1 7.417 0.020 A 436 ILE HA H 1 3.996 0.020 A 436 ILE HB H 1 1.998 0.020 A 436 ILE HD1% H 1 0.867 0.020 A 436 ILE HG1y H 1 1.636 0.020 A 436 ILE HG1x H 1 1.253 0.020 A 436 ILE HG2% H 1 0.929 0.020 A 436 ILE CA C 13 62.746 0.100 A 436 ILE CB C 13 38.648 0.100 A 436 ILE CD1 C 13 12.811 0.100 A 436 ILE CG1 C 13 28.803 0.100 A 436 ILE CG2 C 13 17.474 0.100 A 436 ILE N N 15 117.362 0.100 A 437 GLU H H 1 7.787 0.020 A 437 GLU HA H 1 3.881 0.020 A 437 GLU HBy H 1 1.997 0.020 A 437 GLU HBx H 1 1.729 0.020 A 437 GLU HGy H 1 2.349 0.020 A 437 GLU HGx H 1 1.965 0.020 A 437 GLU CA C 13 58.513 0.100 A 437 GLU CB C 13 31.109 0.100 A 437 GLU CG C 13 36.444 0.100 A 437 GLU N N 15 120.444 0.100 A 438 TYR H H 1 7.383 0.020 A 438 TYR HA H 1 4.882 0.020 A 438 TYR HBy H 1 2.409 0.020 A 438 TYR HBx H 1 2.062 0.020 A 438 TYR HDx H 1 6.905 0.020 A 438 TYR HDy H 1 6.905 0.020 A 438 TYR HEx H 1 6.907 0.020 A 438 TYR HEy H 1 6.907 0.020 A 438 TYR CA C 13 56.405 0.100 A 438 TYR CB C 13 41.759 0.100 A 438 TYR CDx C 13 133.671 0.100 A 438 TYR CDy C 13 133.671 0.100 A 438 TYR CEx C 13 117.854 0.100 A 438 TYR CEy C 13 117.854 0.100 A 438 TYR N N 15 112.626 0.100 A 439 ARG H H 1 8.474 0.020 A 439 ARG HA H 1 4.497 0.020 A 439 ARG HB2 H 1 1.622 0.020 A 439 ARG HB3 H 1 1.622 0.020 A 439 ARG HDy H 1 3.248 0.020 A 439 ARG HDx H 1 3.156 0.020 A 439 ARG HG2 H 1 1.492 0.020 A 439 ARG HG3 H 1 1.492 0.020 A 439 ARG CA C 13 55.405 0.100 A 439 ARG CB C 13 32.042 0.100 A 439 ARG CD C 13 43.742 0.100 A 439 ARG CG C 13 27.404 0.100 A 439 ARG N N 15 118.284 0.100 A 440 HIS H H 1 8.889 0.020 A 440 HIS HA H 1 4.807 0.020 A 440 HIS HBy H 1 3.370 0.020 A 440 HIS HBx H 1 2.889 0.020 A 440 HIS HD2 H 1 7.338 0.020 A 440 HIS HE1 H 1 7.216 0.020 A 440 HIS CA C 13 57.095 0.100 A 440 HIS CB C 13 30.316 0.100 A 440 HIS CD2 C 13 127.643 0.100 A 440 HIS CE1 C 13 137.437 0.100 A 440 HIS N N 15 121.568 0.100 A 441 ASN H H 1 8.876 0.020 A 441 ASN HA H 1 4.876 0.020 A 441 ASN HBy H 1 2.895 0.020 A 441 ASN HBx H 1 2.881 0.020 A 441 ASN HD21 H 1 7.783 0.020 A 441 ASN HD22 H 1 7.055 0.020 A 441 ASN CA C 13 53.387 0.100 A 441 ASN CB C 13 39.039 0.100 A 441 ASN N N 15 120.377 0.100 A 441 ASN ND2 N 15 113.374 0.100 A 442 THR H H 1 8.264 0.020 A 442 THR HA H 1 4.372 0.020 A 442 THR HB H 1 4.237 0.020 A 442 THR HG2% H 1 1.239 0.020 A 442 THR CA C 13 61.787 0.100 A 442 THR CB C 13 69.844 0.100 A 442 THR CG2 C 13 21.868 0.100 A 442 THR N N 15 114.401 0.100 A 443 LEU H H 1 8.323 0.020 A 443 LEU HA H 1 4.683 0.020 A 443 LEU HBy H 1 1.672 0.020 A 443 LEU HBx H 1 1.615 0.020 A 443 LEU HDx% H 1 0.996 0.020 A 443 LEU HDy% H 1 0.970 0.020 A 443 LEU HG H 1 1.718 0.020 A 443 LEU CA C 13 53.096 0.100 A 443 LEU CB C 13 41.921 0.100 A 443 LEU CDy C 13 25.296 0.100 A 443 LEU CDx C 13 23.591 0.100 A 443 LEU CG C 13 26.968 0.100 A 443 LEU N N 15 125.734 0.100 A 444 PRO HA H 1 4.500 0.020 A 444 PRO HBy H 1 2.314 0.020 A 444 PRO HBx H 1 1.916 0.020 A 444 PRO HDy H 1 3.905 0.020 A 444 PRO HDx H 1 3.686 0.020 A 444 PRO HG2 H 1 2.061 0.020 A 444 PRO HG3 H 1 2.061 0.020 A 444 PRO CA C 13 63.018 0.100 A 444 PRO CB C 13 32.036 0.100 A 444 PRO CD C 13 50.676 0.100 A 444 PRO CG C 13 27.427 0.100 A 445 VAL H H 1 8.244 0.020 A 445 VAL HA H 1 4.106 0.020 A 445 VAL HB H 1 2.079 0.020 A 445 VAL HGx% H 1 0.997 0.020 A 445 VAL HGy% H 1 0.999 0.020 A 445 VAL CA C 13 62.328 0.100 A 445 VAL CB C 13 32.784 0.100 A 445 VAL CGx C 13 20.743 0.100 A 445 VAL CGy C 13 20.759 0.100 A 445 VAL N N 15 120.697 0.100 A 446 ARG H H 1 8.419 0.020 A 446 ARG HA H 1 4.410 0.020 A 446 ARG HBy H 1 1.857 0.020 A 446 ARG HBx H 1 1.780 0.020 A 446 ARG HD2 H 1 3.220 0.020 A 446 ARG HD3 H 1 3.220 0.020 A 446 ARG HGy H 1 1.668 0.020 A 446 ARG HGx H 1 1.611 0.020 A 446 ARG CA C 13 55.850 0.100 A 446 ARG CB C 13 31.161 0.100 A 446 ARG CD C 13 43.434 0.100 A 446 ARG CG C 13 27.154 0.100 A 446 ARG N N 15 124.912 0.100 A 447 ASN H H 1 8.604 0.020 A 447 ASN HA H 1 4.777 0.020 A 447 ASN HBy H 1 2.872 0.020 A 447 ASN HBx H 1 2.764 0.020 A 447 ASN HD21 H 1 7.646 0.020 A 447 ASN HD22 H 1 6.924 0.020 A 447 ASN CA C 13 53.140 0.100 A 447 ASN CB C 13 39.022 0.100 A 447 ASN N N 15 121.258 0.100 A 447 ASN ND2 N 15 112.844 0.100 A 448 VAL H H 1 8.187 0.020 A 448 VAL HA H 1 4.142 0.020 A 448 VAL HB H 1 2.140 0.020 A 448 VAL HGx% H 1 0.956 0.020 A 448 VAL HGy% H 1 0.957 0.020 A 448 VAL CA C 13 62.595 0.100 A 448 VAL CB C 13 32.681 0.100 A 448 VAL CGy C 13 21.278 0.100 A 448 VAL CGx C 13 20.388 0.100 A 448 VAL N N 15 120.745 0.100 A 449 LEU H H 1 8.311 0.020 A 449 LEU HA H 1 4.416 0.020 A 449 LEU HB2 H 1 1.627 0.020 A 449 LEU HB3 H 1 1.627 0.020 A 449 LEU HD1% H 1 0.900 0.020 A 449 LEU HD2% H 1 0.900 0.020 A 449 LEU HG H 1 1.644 0.020 A 449 LEU CA C 13 55.141 0.100 A 449 LEU CB C 13 42.344 0.100 A 449 LEU CDy C 13 24.933 0.100 A 449 LEU CDx C 13 23.390 0.100 A 449 LEU CG C 13 27.115 0.100 A 449 LEU N N 15 124.673 0.100 A 450 ASP H H 1 8.239 0.020 A 450 ASP HA H 1 4.665 0.020 A 450 ASP HBy H 1 2.781 0.020 A 450 ASP HBx H 1 2.620 0.020 A 450 ASP CA C 13 54.364 0.100 A 450 ASP CB C 13 41.126 0.100 A 450 ASP N N 15 121.582 0.100 A 451 GLU H H 1 7.813 0.020 A 451 GLU HA H 1 4.165 0.020 A 451 GLU HBy H 1 2.067 0.020 A 451 GLU HBx H 1 1.921 0.020 A 451 GLU HG2 H 1 2.232 0.020 A 451 GLU HG3 H 1 2.232 0.020 A 451 GLU CA C 13 57.917 0.100 A 451 GLU CB C 13 31.405 0.100 A 451 GLU CG C 13 36.595 0.100 A 451 GLU N N 15 125.775 0.100 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 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 405 GLY H A 406 GLY H 1.0 0.0 3.5 2 2 A 405 GLY H A 406 GLY HA2 1.0 0.0 5.0 3 2 A 405 GLY H A 406 GLY HA3 1.0 0.0 5.0 4 3 A 405 GLY HAy A 406 GLY HA2 1.0 0.0 4.6 5 3 A 405 GLY HAx A 406 GLY HA2 1.0 0.0 4.6 6 3 A 406 GLY HA3 A 405 GLY HAy 1.0 0.0 4.6 7 3 A 406 GLY HA3 A 405 GLY HAx 1.0 0.0 4.6 8 4 A 406 GLY H A 406 GLY HA2 1.0 0.0 2.9 9 4 A 406 GLY H A 406 GLY HA3 1.0 0.0 2.9 10 5 A 406 GLY H A 407 VAL H 1.0 0.0 3.7 11 6 A 406 GLY H A 407 VAL HA 1.0 0.0 5.5 12 7 A 406 GLY H A 407 VAL HGx% 1.0 0.0 5.5 13 7 A 406 GLY H A 407 VAL HGy% 1.0 0.0 5.5 14 8 A 407 VAL H A 406 GLY HA2 1.0 0.0 2.7 15 8 A 406 GLY HA3 A 407 VAL H 1.0 0.0 2.7 16 9 A 407 VAL HA A 406 GLY HA2 1.0 0.0 4.2 17 9 A 406 GLY HA3 A 407 VAL HA 1.0 0.0 4.2 18 10 A 407 VAL HB A 406 GLY HA2 1.0 0.0 4.5 19 10 A 406 GLY HA3 A 407 VAL HB 1.0 0.0 4.5 20 11 A 406 GLY HA3 A 407 VAL HGx% 1.0 0.0 4.1 21 11 A 407 VAL HGy% A 406 GLY HA2 1.0 0.0 4.1 22 11 A 406 GLY HA3 A 407 VAL HGy% 1.0 0.0 4.1 23 11 A 406 GLY HA2 A 407 VAL HGx% 1.0 0.0 4.1 24 12 A 406 GLY H A 408 GLN H 1.0 0.0 5.5 25 13 A 408 GLN H A 406 GLY HA2 1.0 0.0 5.0 26 13 A 406 GLY HA3 A 408 GLN H 1.0 0.0 5.0 27 14 A 408 GLN HE21 A 406 GLY HA2 1.0 0.0 5.5 28 14 A 406 GLY HA3 A 408 GLN HE21 1.0 0.0 5.5 29 15 A 407 VAL H A 407 VAL HB 1.0 0.0 3.2 30 16 A 407 VAL H A 407 VAL HGx% 1.0 0.0 3.3 31 16 A 407 VAL H A 407 VAL HGy% 1.0 0.0 3.3 32 17 A 407 VAL HA A 407 VAL HGx% 1.0 0.0 3.5 33 17 A 407 VAL HA A 407 VAL HGy% 1.0 0.0 3.5 34 18 A 407 VAL H A 408 GLN H 1.0 0.0 3.9 35 19 A 407 VAL H A 408 GLN HG2 1.0 0.0 5.5 36 19 A 407 VAL H A 408 GLN HG3 1.0 0.0 5.5 37 20 A 407 VAL H A 408 GLN HE22 1.0 0.0 5.3 38 21 A 407 VAL HA A 408 GLN H 1.0 0.0 2.7 39 22 A 407 VAL HA A 408 GLN HG2 1.0 0.0 5.3 40 22 A 407 VAL HA A 408 GLN HG3 1.0 0.0 5.3 41 23 A 407 VAL HB A 408 GLN H 1.0 0.0 4.7 42 24 A 408 GLN H A 407 VAL HGx% 1.0 0.0 3.9 43 24 A 407 VAL HGy% A 408 GLN H 1.0 0.0 3.9 44 25 A 408 GLN HE21 A 407 VAL HGx% 1.0 0.0 5.5 45 25 A 407 VAL HGy% A 408 GLN HE21 1.0 0.0 5.5 46 26 A 408 GLN HE22 A 407 VAL HGx% 1.0 0.0 5.5 47 26 A 407 VAL HGy% A 408 GLN HE22 1.0 0.0 5.5 48 27 A 408 GLN H A 408 GLN HBy 1.0 0.0 3.5 49 27 A 408 GLN H A 408 GLN HBx 1.0 0.0 3.5 50 28 A 408 GLN H A 408 GLN HG2 1.0 0.0 4.0 51 28 A 408 GLN H A 408 GLN HG3 1.0 0.0 4.0 52 29 A 408 GLN HA A 408 GLN HG2 1.0 0.0 4.0 53 29 A 408 GLN HG3 A 408 GLN HA 1.0 0.0 4.0 54 30 A 408 GLN HE21 A 408 GLN HA 1.0 0.0 5.5 55 31 A 408 GLN HBy A 408 GLN HG2 1.0 0.0 2.7 56 31 A 408 GLN HBx A 408 GLN HG2 1.0 0.0 2.7 57 31 A 408 GLN HG3 A 408 GLN HBy 1.0 0.0 2.7 58 31 A 408 GLN HG3 A 408 GLN HBx 1.0 0.0 2.7 59 32 A 408 GLN H A 409 ILE H 1.0 0.0 4.6 60 33 A 408 GLN HA A 409 ILE H 1.0 0.0 2.7 61 34 A 409 ILE H A 408 GLN HBy 1.0 0.0 3.9 62 34 A 408 GLN HBx A 409 ILE H 1.0 0.0 3.9 63 35 A 409 ILE HA A 408 GLN HBy 1.0 0.0 4.7 64 35 A 408 GLN HBx A 409 ILE HA 1.0 0.0 4.7 65 36 A 409 ILE H A 408 GLN HG2 1.0 0.0 4.5 66 36 A 408 GLN HG3 A 409 ILE H 1.0 0.0 4.5 67 37 A 408 GLN H A 410 VAL H 1.0 0.0 4.9 68 38 A 410 VAL H A 408 GLN HBy 1.0 0.0 5.5 69 38 A 408 GLN HBx A 410 VAL H 1.0 0.0 5.5 70 39 A 408 GLN HBx A 410 VAL HGx% 1.0 0.0 3.5 71 39 A 410 VAL HGy% A 408 GLN HBy 1.0 0.0 3.5 72 39 A 408 GLN HBx A 410 VAL HGy% 1.0 0.0 3.5 73 39 A 408 GLN HBy A 410 VAL HGx% 1.0 0.0 3.5 74 40 A 410 VAL H A 408 GLN HG2 1.0 0.0 5.4 75 40 A 408 GLN HG3 A 410 VAL H 1.0 0.0 5.4 76 41 A 408 GLN HG3 A 410 VAL HGx% 1.0 0.0 4.8 77 41 A 408 GLN HG2 A 410 VAL HGx% 1.0 0.0 4.8 78 41 A 410 VAL HGy% A 408 GLN HG2 1.0 0.0 4.8 79 41 A 408 GLN HG3 A 410 VAL HGy% 1.0 0.0 4.8 80 42 A 408 GLN HE21 A 410 VAL HGx% 1.0 0.0 5.5 81 42 A 408 GLN HE21 A 410 VAL HGy% 1.0 0.0 5.5 82 43 A 409 ILE H A 409 ILE HB 1.0 0.0 4.1 83 44 A 409 ILE H A 409 ILE HG1y 1.0 0.0 4.0 84 44 A 409 ILE H A 409 ILE HG1x 1.0 0.0 4.0 85 45 A 409 ILE H A 409 ILE HG2% 1.0 0.0 4.3 86 46 A 409 ILE H A 409 ILE HD1% 1.0 0.0 4.4 87 47 A 409 ILE HA A 409 ILE HG1y 1.0 0.0 4.0 88 47 A 409 ILE HA A 409 ILE HG1x 1.0 0.0 4.0 89 48 A 409 ILE HA A 409 ILE HG2% 1.0 0.0 3.2 90 49 A 409 ILE HA A 409 ILE HD1% 1.0 0.0 4.0 91 50 A 409 ILE HB A 409 ILE HD1% 1.0 0.0 3.5 92 51 A 409 ILE HG2% A 409 ILE HG1y 1.0 0.0 3.3 93 51 A 409 ILE HG1x A 409 ILE HG2% 1.0 0.0 3.3 94 52 A 409 ILE HA A 410 VAL H 1.0 0.0 2.7 95 53 A 410 VAL H A 409 ILE HB 1.0 0.0 4.4 96 54 A 409 ILE HB A 410 VAL HGx% 1.0 0.0 5.5 97 54 A 410 VAL HGy% A 409 ILE HB 1.0 0.0 5.5 98 55 A 410 VAL H A 409 ILE HG1y 1.0 0.0 5.5 99 55 A 410 VAL H A 409 ILE HG1x 1.0 0.0 5.5 100 56 A 410 VAL H A 409 ILE HG2% 1.0 0.0 4.6 101 57 A 409 ILE HA A 411 GLY H 1.0 0.0 4.9 102 58 A 409 ILE HB A 411 GLY H 1.0 0.0 5.5 103 59 A 409 ILE HG2% A 411 GLY H 1.0 0.0 5.3 104 60 A 409 ILE HA A 412 GLN HA 1.0 0.0 4.3 105 61 A 409 ILE HB A 412 GLN HG2 1.0 0.0 4.7 106 61 A 409 ILE HB A 412 GLN HG3 1.0 0.0 4.7 107 62 A 409 ILE HG2% A 412 GLN H 1.0 0.0 5.5 108 63 A 409 ILE HG2% A 412 GLN HA 1.0 0.0 5.3 109 64 A 409 ILE HG1x A 412 GLN HG2 1.0 0.0 5.5 110 64 A 409 ILE HG1y A 412 GLN HG2 1.0 0.0 5.5 111 64 A 412 GLN HG3 A 409 ILE HG1y 1.0 0.0 5.5 112 64 A 409 ILE HG1x A 412 GLN HG3 1.0 0.0 5.5 113 65 A 409 ILE HG2% A 412 GLN HG2 1.0 0.0 4.3 114 65 A 409 ILE HG2% A 412 GLN HG3 1.0 0.0 4.3 115 66 A 410 VAL H A 410 VAL HB 1.0 0.0 3.3 116 67 A 410 VAL H A 410 VAL HGx% 1.0 0.0 3.3 117 67 A 410 VAL H A 410 VAL HGy% 1.0 0.0 3.3 118 68 A 410 VAL HA A 410 VAL HGx% 1.0 0.0 3.2 119 68 A 410 VAL HGy% A 410 VAL HA 1.0 0.0 3.2 120 69 A 410 VAL H A 411 GLY H 1.0 0.0 4.1 121 70 A 410 VAL H A 411 GLY HAy 1.0 0.0 5.5 122 70 A 410 VAL H A 411 GLY HAx 1.0 0.0 5.5 123 71 A 411 GLY H A 410 VAL HA 1.0 0.0 2.7 124 72 A 411 GLY H A 410 VAL HB 1.0 0.0 4.6 125 73 A 411 GLY H A 410 VAL HGx% 1.0 0.0 4.0 126 73 A 410 VAL HGy% A 411 GLY H 1.0 0.0 4.0 127 74 A 410 VAL HGx% A 411 GLY HAy 1.0 0.0 4.2 128 74 A 410 VAL HGy% A 411 GLY HAy 1.0 0.0 4.2 129 74 A 411 GLY HAx A 410 VAL HGx% 1.0 0.0 4.2 130 74 A 410 VAL HGy% A 411 GLY HAx 1.0 0.0 4.2 131 75 A 410 VAL H A 412 GLN HA 1.0 0.0 5.5 132 76 A 412 GLN H A 410 VAL HA 1.0 0.0 4.8 133 77 A 412 GLN H A 410 VAL HGx% 1.0 0.0 5.5 134 77 A 410 VAL HGy% A 412 GLN H 1.0 0.0 5.5 135 78 A 411 GLY H A 411 GLY HAy 1.0 0.0 2.9 136 78 A 411 GLY H A 411 GLY HAx 1.0 0.0 2.9 137 79 A 411 GLY H A 412 GLN H 1.0 0.0 3.5 138 80 A 411 GLY H A 412 GLN HA 1.0 0.0 5.5 139 81 A 411 GLY H A 412 GLN HB2 1.0 0.0 5.4 140 81 A 411 GLY H A 412 GLN HB3 1.0 0.0 5.4 141 82 A 411 GLY H A 412 GLN HG2 1.0 0.0 5.5 142 82 A 411 GLY H A 412 GLN HG3 1.0 0.0 5.5 143 83 A 411 GLY H A 412 GLN HE21 1.0 0.0 5.5 144 84 A 412 GLN H A 411 GLY HAy 1.0 0.0 3.0 145 84 A 412 GLN H A 411 GLY HAx 1.0 0.0 3.0 146 85 A 412 GLN HA A 411 GLY HAy 1.0 0.0 4.6 147 85 A 412 GLN HA A 411 GLY HAx 1.0 0.0 4.6 148 86 A 411 GLY HAy A 412 GLN HG2 1.0 0.0 5.1 149 86 A 411 GLY HAx A 412 GLN HG2 1.0 0.0 5.1 150 86 A 412 GLN HG3 A 411 GLY HAy 1.0 0.0 5.1 151 86 A 412 GLN HG3 A 411 GLY HAx 1.0 0.0 5.1 152 87 A 412 GLN HE22 A 411 GLY HAy 1.0 0.0 5.5 153 87 A 411 GLY HAx A 412 GLN HE22 1.0 0.0 5.5 154 88 A 413 ASP H A 411 GLY HAy 1.0 0.0 4.7 155 88 A 411 GLY HAx A 413 ASP H 1.0 0.0 4.7 156 89 A 414 GLU H A 411 GLY HAy 1.0 0.0 5.5 157 89 A 411 GLY HAx A 414 GLU H 1.0 0.0 5.5 158 90 A 412 GLN H A 412 GLN HB2 1.0 0.0 3.5 159 90 A 412 GLN H A 412 GLN HB3 1.0 0.0 3.5 160 91 A 412 GLN H A 412 GLN HG2 1.0 0.0 3.9 161 91 A 412 GLN HG3 A 412 GLN H 1.0 0.0 3.9 162 92 A 412 GLN HA A 412 GLN HG2 1.0 0.0 3.5 163 92 A 412 GLN HA A 412 GLN HG3 1.0 0.0 3.5 164 93 A 412 GLN HA A 412 GLN HE21 1.0 0.0 5.5 165 94 A 412 GLN HB3 A 412 GLN HG2 1.0 0.0 2.5 166 94 A 412 GLN HB2 A 412 GLN HG2 1.0 0.0 2.5 167 94 A 412 GLN HG3 A 412 GLN HB2 1.0 0.0 2.5 168 94 A 412 GLN HG3 A 412 GLN HB3 1.0 0.0 2.5 169 95 A 412 GLN HE22 A 412 GLN HB2 1.0 0.0 5.5 170 95 A 412 GLN HB3 A 412 GLN HE22 1.0 0.0 5.5 171 96 A 412 GLN H A 413 ASP H 1.0 0.0 3.6 172 97 A 412 GLN H A 413 ASP HA 1.0 0.0 5.5 173 98 A 413 ASP H A 412 GLN HB2 1.0 0.0 4.1 174 98 A 412 GLN HB3 A 413 ASP H 1.0 0.0 4.1 175 99 A 413 ASP H A 412 GLN HG2 1.0 0.0 4.3 176 99 A 412 GLN HG3 A 413 ASP H 1.0 0.0 4.3 177 100 A 412 GLN HE21 A 413 ASP HA 1.0 0.0 5.5 178 101 A 412 GLN HE21 A 414 GLU H 1.0 0.0 5.5 179 102 A 412 GLN HE22 A 414 GLU H 1.0 0.0 5.5 180 103 A 412 GLN HE22 A 415 THR H 1.0 0.0 5.5 181 104 A 412 GLN HE22 A 415 THR HG2% 1.0 0.0 5.5 182 105 A 413 ASP H A 413 ASP HBy 1.0 0.0 3.5 183 105 A 413 ASP H A 413 ASP HBx 1.0 0.0 3.5 184 106 A 413 ASP H A 414 GLU H 1.0 0.0 3.1 185 107 A 414 GLU H A 413 ASP HA 1.0 0.0 3.0 186 108 A 414 GLU H A 413 ASP HBy 1.0 0.0 4.3 187 108 A 414 GLU H A 413 ASP HBx 1.0 0.0 4.3 188 109 A 413 ASP HA A 415 THR H 1.0 0.0 5.2 189 110 A 413 ASP HA A 415 THR HG2% 1.0 0.0 5.3 190 111 A 415 THR H A 413 ASP HBy 1.0 0.0 5.5 191 111 A 415 THR H A 413 ASP HBx 1.0 0.0 5.5 192 112 A 414 GLU H A 414 GLU HBy 1.0 0.0 3.5 193 112 A 414 GLU H A 414 GLU HBx 1.0 0.0 3.5 194 113 A 414 GLU H A 414 GLU HG2 1.0 0.0 4.1 195 113 A 414 GLU H A 414 GLU HG3 1.0 0.0 4.1 196 114 A 414 GLU HA A 414 GLU HG2 1.0 0.0 4.0 197 114 A 414 GLU HG3 A 414 GLU HA 1.0 0.0 4.0 198 115 A 414 GLU H A 415 THR H 1.0 0.0 3.4 199 116 A 414 GLU H A 415 THR HG2% 1.0 0.0 5.5 200 117 A 415 THR H A 414 GLU HA 1.0 0.0 3.1 201 118 A 415 THR HG2% A 414 GLU HA 1.0 0.0 5.0 202 119 A 415 THR H A 414 GLU HBy 1.0 0.0 4.2 203 119 A 415 THR H A 414 GLU HBx 1.0 0.0 4.2 204 120 A 415 THR HG2% A 414 GLU HBy 1.0 0.0 5.5 205 120 A 415 THR HG2% A 414 GLU HBx 1.0 0.0 5.5 206 121 A 415 THR H A 414 GLU HG2 1.0 0.0 5.5 207 121 A 415 THR H A 414 GLU HG3 1.0 0.0 5.5 208 122 A 415 THR HG2% A 414 GLU HG2 1.0 0.0 5.5 209 122 A 415 THR HG2% A 414 GLU HG3 1.0 0.0 5.5 210 123 A 414 GLU HA A 416 ASP H 1.0 0.0 4.1 211 124 A 416 ASP H A 414 GLU HBy 1.0 0.0 5.5 212 124 A 414 GLU HBx A 416 ASP H 1.0 0.0 5.5 213 125 A 415 THR H A 415 THR HB 1.0 0.0 3.4 214 126 A 415 THR H A 415 THR HG2% 1.0 0.0 3.6 215 127 A 415 THR HB A 415 THR HA 1.0 0.0 3.0 216 128 A 415 THR HG2% A 415 THR HA 1.0 0.0 3.3 217 129 A 415 THR H A 416 ASP HBy 1.0 0.0 5.0 218 129 A 415 THR H A 416 ASP HBx 1.0 0.0 5.0 219 130 A 416 ASP H A 415 THR HA 1.0 0.0 2.8 220 131 A 415 THR HA A 416 ASP HA 1.0 0.0 4.9 221 132 A 415 THR HA A 416 ASP HBy 1.0 0.0 5.5 222 132 A 415 THR HA A 416 ASP HBx 1.0 0.0 5.5 223 133 A 415 THR HG2% A 416 ASP H 1.0 0.0 4.2 224 134 A 415 THR HA A 417 ASP H 1.0 0.0 5.5 225 135 A 415 THR HB A 417 ASP H 1.0 0.0 5.2 226 136 A 415 THR HG2% A 417 ASP H 1.0 0.0 5.5 227 137 A 415 THR HG2% A 418 ARG H 1.0 0.0 5.5 228 138 A 415 THR HG2% A 418 ARG HDy 1.0 0.0 5.5 229 138 A 415 THR HG2% A 418 ARG HDx 1.0 0.0 5.5 230 139 A 416 ASP H A 416 ASP HBy 1.0 0.0 3.4 231 139 A 416 ASP H A 416 ASP HBx 1.0 0.0 3.4 232 140 A 416 ASP H A 417 ASP H 1.0 0.0 4.2 233 141 A 416 ASP HA A 417 ASP H 1.0 0.0 3.4 234 142 A 417 ASP H A 416 ASP HBy 1.0 0.0 3.9 235 142 A 416 ASP HBx A 417 ASP H 1.0 0.0 3.9 236 143 A 416 ASP H A 418 ARG H 1.0 0.0 4.7 237 144 A 416 ASP HA A 418 ARG HGy 1.0 0.0 5.2 238 144 A 416 ASP HA A 418 ARG HGx 1.0 0.0 5.2 239 145 A 418 ARG H A 416 ASP HBy 1.0 0.0 5.1 240 145 A 416 ASP HBx A 418 ARG H 1.0 0.0 5.1 241 146 A 417 ASP H A 418 ARG H 1.0 0.0 3.2 242 147 A 417 ASP H A 418 ARG HA 1.0 0.0 4.8 243 148 A 417 ASP H A 418 ARG HGy 1.0 0.0 4.9 244 148 A 417 ASP H A 418 ARG HGx 1.0 0.0 4.9 245 149 A 418 ARG H A 418 ARG HBy 1.0 0.0 3.6 246 149 A 418 ARG H A 418 ARG HBx 1.0 0.0 3.6 247 150 A 418 ARG H A 418 ARG HGy 1.0 0.0 3.6 248 150 A 418 ARG H A 418 ARG HGx 1.0 0.0 3.6 249 151 A 418 ARG H A 418 ARG HDy 1.0 0.0 4.9 250 151 A 418 ARG H A 418 ARG HDx 1.0 0.0 4.9 251 152 A 418 ARG HA A 418 ARG HGy 1.0 0.0 3.8 252 152 A 418 ARG HGx A 418 ARG HA 1.0 0.0 3.8 253 153 A 418 ARG HA A 418 ARG HDy 1.0 0.0 4.6 254 153 A 418 ARG HDx A 418 ARG HA 1.0 0.0 4.6 255 154 A 418 ARG HBy A 418 ARG HDy 1.0 0.0 3.3 256 154 A 418 ARG HBx A 418 ARG HDy 1.0 0.0 3.3 257 154 A 418 ARG HDx A 418 ARG HBy 1.0 0.0 3.3 258 154 A 418 ARG HDx A 418 ARG HBx 1.0 0.0 3.3 259 155 A 418 ARG H A 419 PRO HDy 1.0 0.0 5.0 260 155 A 418 ARG H A 419 PRO HDx 1.0 0.0 5.0 261 156 A 418 ARG HA A 419 PRO HBy 1.0 0.0 5.0 262 156 A 418 ARG HA A 419 PRO HBx 1.0 0.0 5.0 263 157 A 418 ARG HA A 419 PRO HG2 1.0 0.0 4.0 264 157 A 418 ARG HA A 419 PRO HG3 1.0 0.0 4.0 265 158 A 418 ARG HA A 419 PRO HDy 1.0 0.0 3.2 266 158 A 418 ARG HA A 419 PRO HDx 1.0 0.0 3.2 267 159 A 419 PRO HA A 418 ARG HBy 1.0 0.0 5.0 268 159 A 418 ARG HBx A 419 PRO HA 1.0 0.0 5.0 269 160 A 418 ARG HBx A 419 PRO HDy 1.0 0.0 3.8 270 160 A 418 ARG HBy A 419 PRO HDy 1.0 0.0 3.8 271 160 A 419 PRO HDx A 418 ARG HBy 1.0 0.0 3.8 272 160 A 418 ARG HBx A 419 PRO HDx 1.0 0.0 3.8 273 161 A 437 GLU HA A 418 ARG HDy 1.0 0.0 4.9 274 161 A 418 ARG HDx A 437 GLU HA 1.0 0.0 4.9 275 162 A 438 TYR HA A 418 ARG HBy 1.0 0.0 3.7 276 162 A 418 ARG HBx A 438 TYR HA 1.0 0.0 3.7 277 163 A 438 TYR H A 418 ARG HDy 1.0 0.0 5.1 278 163 A 418 ARG HDx A 438 TYR H 1.0 0.0 5.1 279 164 A 418 ARG H A 439 ARG HG2 1.0 0.0 5.4 280 164 A 418 ARG H A 439 ARG HG3 1.0 0.0 5.4 281 165 A 418 ARG H A 439 ARG HDy 1.0 0.0 4.9 282 165 A 418 ARG H A 439 ARG HDx 1.0 0.0 4.9 283 166 A 418 ARG HA A 439 ARG H 1.0 0.0 5.5 284 167 A 439 ARG H A 418 ARG HBy 1.0 0.0 4.5 285 167 A 418 ARG HBx A 439 ARG H 1.0 0.0 4.5 286 168 A 418 ARG HGx A 439 ARG HB2 1.0 0.0 4.1 287 168 A 418 ARG HGy A 439 ARG HB2 1.0 0.0 4.1 288 168 A 439 ARG HB3 A 418 ARG HGy 1.0 0.0 4.1 289 168 A 418 ARG HGx A 439 ARG HB3 1.0 0.0 4.1 290 169 A 418 ARG HGx A 439 ARG HDy 1.0 0.0 4.7 291 169 A 418 ARG HGy A 439 ARG HDy 1.0 0.0 4.7 292 169 A 439 ARG HDx A 418 ARG HGy 1.0 0.0 4.7 293 169 A 418 ARG HGx A 439 ARG HDx 1.0 0.0 4.7 294 170 A 439 ARG H A 418 ARG HDy 1.0 0.0 5.5 295 170 A 418 ARG HDx A 439 ARG H 1.0 0.0 5.5 296 171 A 419 PRO HA A 420 GLU HB2 1.0 0.0 5.2 297 171 A 419 PRO HA A 420 GLU HB3 1.0 0.0 5.2 298 172 A 420 GLU H A 419 PRO HBy 1.0 0.0 3.8 299 172 A 419 PRO HBx A 420 GLU H 1.0 0.0 3.8 300 173 A 419 PRO HBx A 420 GLU HGy 1.0 0.0 4.8 301 173 A 419 PRO HBy A 420 GLU HGy 1.0 0.0 4.8 302 173 A 420 GLU HGx A 419 PRO HBy 1.0 0.0 4.8 303 173 A 419 PRO HBx A 420 GLU HGx 1.0 0.0 4.8 304 174 A 420 GLU H A 419 PRO HG2 1.0 0.0 3.3 305 174 A 419 PRO HG3 A 420 GLU H 1.0 0.0 3.3 306 175 A 419 PRO HG2 A 420 GLU HGy 1.0 0.0 4.6 307 175 A 419 PRO HG3 A 420 GLU HGy 1.0 0.0 4.6 308 175 A 420 GLU HGx A 419 PRO HG2 1.0 0.0 4.6 309 175 A 419 PRO HG3 A 420 GLU HGx 1.0 0.0 4.6 310 176 A 420 GLU H A 419 PRO HDy 1.0 0.0 5.1 311 176 A 419 PRO HDx A 420 GLU H 1.0 0.0 5.1 312 177 A 437 GLU HA A 419 PRO HG2 1.0 0.0 4.7 313 177 A 419 PRO HG3 A 437 GLU HA 1.0 0.0 4.7 314 178 A 437 GLU HA A 419 PRO HDy 1.0 0.0 5.0 315 178 A 419 PRO HDx A 437 GLU HA 1.0 0.0 5.0 316 179 A 419 PRO HA A 438 TYR HD% 1.0 0.0 5.3 317 180 A 438 TYR HD% A 419 PRO HBy 1.0 0.0 3.7 318 180 A 419 PRO HBx A 438 TYR HD% 1.0 0.0 3.7 319 181 A 438 TYR HE% A 419 PRO HBy 1.0 0.0 4.1 320 181 A 419 PRO HBx A 438 TYR HE% 1.0 0.0 4.1 321 182 A 438 TYR HA A 419 PRO HG2 1.0 0.0 4.6 322 182 A 419 PRO HG3 A 438 TYR HA 1.0 0.0 4.6 323 183 A 438 TYR HD% A 419 PRO HG2 1.0 0.0 3.5 324 183 A 419 PRO HG3 A 438 TYR HD% 1.0 0.0 3.5 325 184 A 438 TYR HE% A 419 PRO HG2 1.0 0.0 4.3 326 184 A 419 PRO HG3 A 438 TYR HE% 1.0 0.0 4.3 327 185 A 438 TYR HA A 419 PRO HDy 1.0 0.0 4.9 328 185 A 419 PRO HDx A 438 TYR HA 1.0 0.0 4.9 329 186 A 419 PRO HA A 439 ARG HDy 1.0 0.0 5.1 330 186 A 419 PRO HA A 439 ARG HDx 1.0 0.0 5.1 331 187 A 439 ARG H A 419 PRO HG2 1.0 0.0 5.3 332 187 A 419 PRO HG3 A 439 ARG H 1.0 0.0 5.3 333 188 A 439 ARG H A 419 PRO HDy 1.0 0.0 5.5 334 188 A 419 PRO HDx A 439 ARG H 1.0 0.0 5.5 335 189 A 420 GLU H A 420 GLU HGy 1.0 0.0 4.1 336 189 A 420 GLU H A 420 GLU HGx 1.0 0.0 4.1 337 190 A 420 GLU H A 421 CYS H 1.0 0.0 4.9 338 191 A 420 GLU H A 421 CYS HA 1.0 0.0 5.4 339 192 A 421 CYS H A 420 GLU HA 1.0 0.0 3.0 340 193 A 420 GLU HA A 421 CYS HBy 1.0 0.0 4.5 341 193 A 420 GLU HA A 421 CYS HBx 1.0 0.0 4.5 342 194 A 421 CYS H A 420 GLU HB2 1.0 0.0 4.2 343 194 A 420 GLU HB3 A 421 CYS H 1.0 0.0 4.2 344 195 A 421 CYS H A 420 GLU HGy 1.0 0.0 5.5 345 195 A 420 GLU HGx A 421 CYS H 1.0 0.0 5.5 346 196 A 420 GLU H A 438 TYR HD% 1.0 0.0 5.0 347 197 A 420 GLU HA A 438 TYR HBy 1.0 0.0 5.0 348 197 A 420 GLU HA A 438 TYR HBx 1.0 0.0 5.0 349 198 A 438 TYR HD% A 420 GLU HA 1.0 0.0 5.5 350 199 A 439 ARG H A 420 GLU H 1.0 0.0 4.3 351 200 A 420 GLU H A 439 ARG HG2 1.0 0.0 5.4 352 200 A 439 ARG HG3 A 420 GLU H 1.0 0.0 5.4 353 201 A 420 GLU H A 439 ARG HDy 1.0 0.0 5.5 354 201 A 439 ARG HDx A 420 GLU H 1.0 0.0 5.5 355 202 A 439 ARG H A 420 GLU HA 1.0 0.0 3.7 356 203 A 420 GLU HA A 439 ARG HB2 1.0 0.0 5.1 357 203 A 439 ARG HB3 A 420 GLU HA 1.0 0.0 5.1 358 204 A 420 GLU HA A 439 ARG HG2 1.0 0.0 4.0 359 204 A 439 ARG HG3 A 420 GLU HA 1.0 0.0 4.0 360 205 A 420 GLU HGy A 439 ARG HG2 1.0 0.0 4.9 361 205 A 420 GLU HGx A 439 ARG HG2 1.0 0.0 4.9 362 205 A 439 ARG HG3 A 420 GLU HGy 1.0 0.0 4.9 363 205 A 439 ARG HG3 A 420 GLU HGx 1.0 0.0 4.9 364 206 A 420 GLU HA A 440 HIS H 1.0 0.0 5.5 365 207 A 421 CYS H A 421 CYS HBy 1.0 0.0 3.4 366 207 A 421 CYS H A 421 CYS HBx 1.0 0.0 3.4 367 208 A 421 CYS H A 422 PRO HDy 1.0 0.0 5.3 368 208 A 421 CYS H A 422 PRO HDx 1.0 0.0 5.3 369 209 A 421 CYS HA A 422 PRO HGy 1.0 0.0 4.8 370 209 A 421 CYS HA A 422 PRO HGx 1.0 0.0 4.8 371 210 A 421 CYS HA A 422 PRO HDy 1.0 0.0 3.4 372 210 A 421 CYS HA A 422 PRO HDx 1.0 0.0 3.4 373 211 A 421 CYS HA A 423 TYR H 1.0 0.0 4.8 374 212 A 421 CYS HA A 423 TYR HD% 1.0 0.0 5.5 375 213 A 423 TYR H A 421 CYS HBy 1.0 0.0 4.9 376 213 A 421 CYS HBx A 423 TYR H 1.0 0.0 4.9 377 214 A 421 CYS H A 424 GLY H 1.0 0.0 5.5 378 215 A 421 CYS HA A 424 GLY H 1.0 0.0 5.1 379 216 A 424 GLY H A 421 CYS HBy 1.0 0.0 4.4 380 216 A 421 CYS HBx A 424 GLY H 1.0 0.0 4.4 381 217 A 438 TYR H A 421 CYS H 1.0 0.0 5.5 382 218 A 421 CYS H A 438 TYR HBy 1.0 0.0 3.3 383 218 A 421 CYS H A 438 TYR HBx 1.0 0.0 3.3 384 219 A 438 TYR HD% A 421 CYS H 1.0 0.0 4.7 385 220 A 421 CYS HA A 438 TYR HBy 1.0 0.0 3.6 386 220 A 421 CYS HA A 438 TYR HBx 1.0 0.0 3.6 387 221 A 438 TYR HD% A 421 CYS HA 1.0 0.0 3.7 388 222 A 438 TYR HE% A 421 CYS HA 1.0 0.0 5.1 389 223 A 421 CYS HBx A 438 TYR HBy 1.0 0.0 4.4 390 223 A 421 CYS HBy A 438 TYR HBy 1.0 0.0 4.4 391 223 A 438 TYR HBx A 421 CYS HBy 1.0 0.0 4.4 392 223 A 421 CYS HBx A 438 TYR HBx 1.0 0.0 4.4 393 224 A 438 TYR HD% A 421 CYS HBy 1.0 0.0 4.5 394 224 A 438 TYR HD% A 421 CYS HBx 1.0 0.0 4.5 395 225 A 439 ARG H A 421 CYS H 1.0 0.0 4.6 396 226 A 421 CYS H A 439 ARG HA 1.0 0.0 5.5 397 227 A 421 CYS H A 439 ARG HB2 1.0 0.0 4.6 398 227 A 439 ARG HB3 A 421 CYS H 1.0 0.0 4.6 399 228 A 421 CYS H A 439 ARG HG2 1.0 0.0 5.4 400 228 A 439 ARG HG3 A 421 CYS H 1.0 0.0 5.4 401 229 A 439 ARG H A 421 CYS HA 1.0 0.0 5.4 402 230 A 439 ARG H A 421 CYS HBy 1.0 0.0 4.3 403 230 A 439 ARG H A 421 CYS HBx 1.0 0.0 4.3 404 231 A 421 CYS H A 440 HIS H 1.0 0.0 5.5 405 232 A 421 CYS H A 440 HIS HA 1.0 0.0 4.8 406 233 A 421 CYS H A 440 HIS HBy 1.0 0.0 5.5 407 233 A 421 CYS H A 440 HIS HBx 1.0 0.0 5.5 408 234 A 421 CYS H A 440 HIS HD2 1.0 0.0 5.5 409 235 A 440 HIS HA A 421 CYS HBy 1.0 0.0 4.4 410 235 A 421 CYS HBx A 440 HIS HA 1.0 0.0 4.4 411 236 A 421 CYS HBx A 440 HIS HBy 1.0 0.0 4.4 412 236 A 421 CYS HBy A 440 HIS HBy 1.0 0.0 4.4 413 236 A 440 HIS HBx A 421 CYS HBy 1.0 0.0 4.4 414 236 A 421 CYS HBx A 440 HIS HBx 1.0 0.0 4.4 415 237 A 440 HIS HD2 A 421 CYS HBy 1.0 0.0 4.5 416 237 A 421 CYS HBx A 440 HIS HD2 1.0 0.0 4.5 417 238 A 440 HIS HE1 A 421 CYS HBy 1.0 0.0 5.5 418 238 A 421 CYS HBx A 440 HIS HE1 1.0 0.0 5.5 419 239 A 423 TYR H A 422 PRO HBy 1.0 0.0 4.7 420 239 A 423 TYR H A 422 PRO HBx 1.0 0.0 4.7 421 240 A 423 TYR H A 422 PRO HGy 1.0 0.0 4.8 422 240 A 422 PRO HGx A 423 TYR H 1.0 0.0 4.8 423 241 A 423 TYR HD% A 422 PRO HGy 1.0 0.0 5.4 424 241 A 422 PRO HGx A 423 TYR HD% 1.0 0.0 5.4 425 242 A 423 TYR H A 422 PRO HDy 1.0 0.0 4.6 426 242 A 422 PRO HDx A 423 TYR H 1.0 0.0 4.6 427 243 A 423 TYR HD% A 422 PRO HDy 1.0 0.0 5.5 428 243 A 422 PRO HDx A 423 TYR HD% 1.0 0.0 5.5 429 244 A 434 HIS HE1 A 422 PRO HGy 1.0 0.0 5.5 430 244 A 422 PRO HGx A 434 HIS HE1 1.0 0.0 5.5 431 245 A 434 HIS HE1 A 422 PRO HDy 1.0 0.0 5.4 432 245 A 422 PRO HDx A 434 HIS HE1 1.0 0.0 5.4 433 246 A 438 TYR HE% A 422 PRO HGy 1.0 0.0 5.5 434 246 A 438 TYR HE% A 422 PRO HGx 1.0 0.0 5.5 435 247 A 422 PRO HDx A 438 TYR HBy 1.0 0.0 4.9 436 247 A 422 PRO HDy A 438 TYR HBy 1.0 0.0 4.9 437 247 A 438 TYR HBx A 422 PRO HDy 1.0 0.0 4.9 438 247 A 438 TYR HBx A 422 PRO HDx 1.0 0.0 4.9 439 248 A 438 TYR HD% A 422 PRO HDy 1.0 0.0 4.6 440 248 A 438 TYR HD% A 422 PRO HDx 1.0 0.0 4.6 441 249 A 438 TYR HE% A 422 PRO HDy 1.0 0.0 4.6 442 249 A 438 TYR HE% A 422 PRO HDx 1.0 0.0 4.6 443 250 A 423 TYR H A 423 TYR HBy 1.0 0.0 3.6 444 250 A 423 TYR H A 423 TYR HBx 1.0 0.0 3.6 445 251 A 423 TYR H A 423 TYR HD% 1.0 0.0 3.7 446 252 A 423 TYR H A 423 TYR HE% 1.0 0.0 5.4 447 253 A 423 TYR HBx A 423 TYR HE% 1.0 0.0 5.1 448 253 A 423 TYR HE% A 423 TYR HBy 1.0 0.0 5.1 449 254 A 423 TYR H A 424 GLY H 1.0 0.0 3.3 450 255 A 423 TYR H A 424 GLY HAx 1.0 0.0 5.0 451 255 A 423 TYR H A 424 GLY HAy 1.0 0.0 5.0 452 256 A 424 GLY H A 423 TYR HBy 1.0 0.0 4.5 453 256 A 424 GLY H A 423 TYR HBx 1.0 0.0 4.5 454 257 A 423 TYR HBy A 424 GLY HAx 1.0 0.0 5.1 455 257 A 423 TYR HBx A 424 GLY HAx 1.0 0.0 5.1 456 257 A 424 GLY HAy A 423 TYR HBy 1.0 0.0 5.1 457 257 A 423 TYR HBx A 424 GLY HAy 1.0 0.0 5.1 458 258 A 424 GLY H A 423 TYR HD% 1.0 0.0 5.2 459 259 A 426 SER H A 423 TYR HBy 1.0 0.0 5.5 460 259 A 423 TYR HBx A 426 SER H 1.0 0.0 5.5 461 260 A 423 TYR H A 427 CYS HA 1.0 0.0 5.3 462 261 A 423 TYR H A 427 CYS HBy 1.0 0.0 5.1 463 261 A 423 TYR H A 427 CYS HBx 1.0 0.0 5.1 464 262 A 423 TYR HA A 427 CYS HBy 1.0 0.0 5.2 465 262 A 427 CYS HBx A 423 TYR HA 1.0 0.0 5.2 466 263 A 427 CYS HA A 423 TYR HBy 1.0 0.0 3.2 467 263 A 423 TYR HBx A 427 CYS HA 1.0 0.0 3.2 468 264 A 423 TYR HBy A 427 CYS HBy 1.0 0.0 4.1 469 264 A 427 CYS HBx A 423 TYR HBy 1.0 0.0 4.1 470 264 A 423 TYR HBx A 427 CYS HBx 1.0 0.0 4.1 471 264 A 423 TYR HBx A 427 CYS HBy 1.0 0.0 4.1 472 265 A 427 CYS HBx A 423 TYR HD% 1.0 0.0 4.8 473 265 A 423 TYR HD% A 427 CYS HBy 1.0 0.0 4.8 474 266 A 423 TYR H A 429 ARG HDy 1.0 0.0 5.5 475 266 A 423 TYR H A 429 ARG HDx 1.0 0.0 5.5 476 267 A 423 TYR HBx A 429 ARG HDy 1.0 0.0 4.5 477 267 A 423 TYR HBy A 429 ARG HDy 1.0 0.0 4.5 478 267 A 429 ARG HDx A 423 TYR HBy 1.0 0.0 4.5 479 267 A 423 TYR HBx A 429 ARG HDx 1.0 0.0 4.5 480 268 A 429 ARG HGx A 423 TYR HE% 1.0 0.0 5.5 481 268 A 423 TYR HE% A 429 ARG HGy 1.0 0.0 5.5 482 269 A 429 ARG HDx A 423 TYR HE% 1.0 0.0 5.5 483 269 A 423 TYR HE% A 429 ARG HDy 1.0 0.0 5.5 484 270 A 423 TYR H A 434 HIS HE1 1.0 0.0 4.5 485 271 A 434 HIS HD2 A 423 TYR HD% 1.0 0.0 4.8 486 272 A 434 HIS HE1 A 423 TYR HD% 1.0 0.0 5.0 487 273 A 434 HIS HE1 A 423 TYR HE% 1.0 0.0 5.2 488 274 A 423 TYR H A 440 HIS HD2 1.0 0.0 5.5 489 275 A 440 HIS HD2 A 423 TYR HD% 1.0 0.0 4.7 490 276 A 424 GLY H A 425 PRO HDy 1.0 0.0 5.0 491 276 A 424 GLY H A 425 PRO HDx 1.0 0.0 5.0 492 277 A 424 GLY HAx A 425 PRO HG2 1.0 0.0 4.6 493 277 A 424 GLY HAy A 425 PRO HG2 1.0 0.0 4.6 494 277 A 425 PRO HG3 A 424 GLY HAx 1.0 0.0 4.6 495 277 A 424 GLY HAy A 425 PRO HG3 1.0 0.0 4.6 496 278 A 424 GLY HAx A 425 PRO HDy 1.0 0.0 3.4 497 278 A 424 GLY HAy A 425 PRO HDy 1.0 0.0 3.4 498 278 A 425 PRO HDx A 424 GLY HAx 1.0 0.0 3.4 499 278 A 424 GLY HAy A 425 PRO HDx 1.0 0.0 3.4 500 279 A 426 SER H A 424 GLY HAx 1.0 0.0 4.7 501 279 A 424 GLY HAy A 426 SER H 1.0 0.0 4.7 502 280 A 424 GLY H A 427 CYS HA 1.0 0.0 5.1 503 281 A 424 GLY H A 427 CYS HBy 1.0 0.0 5.5 504 281 A 424 GLY H A 427 CYS HBx 1.0 0.0 5.5 505 282 A 424 GLY H A 440 HIS HD2 1.0 0.0 5.5 506 283 A 426 SER H A 425 PRO HG2 1.0 0.0 3.8 507 283 A 426 SER H A 425 PRO HG3 1.0 0.0 3.8 508 284 A 426 SER HA A 425 PRO HG2 1.0 0.0 5.1 509 284 A 425 PRO HG3 A 426 SER HA 1.0 0.0 5.1 510 285 A 426 SER H A 425 PRO HDy 1.0 0.0 4.6 511 285 A 426 SER H A 425 PRO HDx 1.0 0.0 4.6 512 286 A 425 PRO HA A 427 CYS HBy 1.0 0.0 4.8 513 286 A 427 CYS HBx A 425 PRO HA 1.0 0.0 4.8 514 287 A 427 CYS H A 425 PRO HB2 1.0 0.0 5.2 515 287 A 425 PRO HB3 A 427 CYS H 1.0 0.0 5.2 516 288 A 427 CYS H A 425 PRO HG2 1.0 0.0 5.3 517 288 A 425 PRO HG3 A 427 CYS H 1.0 0.0 5.3 518 289 A 426 SER H A 426 SER HB2 1.0 0.0 3.4 519 289 A 426 SER H A 426 SER HB3 1.0 0.0 3.4 520 290 A 426 SER HA A 426 SER HB2 1.0 0.0 3.0 521 290 A 426 SER HA A 426 SER HB3 1.0 0.0 3.0 522 291 A 426 SER H A 427 CYS H 1.0 0.0 3.2 523 292 A 426 SER H A 427 CYS HBy 1.0 0.0 5.2 524 292 A 426 SER H A 427 CYS HBx 1.0 0.0 5.2 525 293 A 426 SER HA A 427 CYS H 1.0 0.0 3.5 526 294 A 427 CYS H A 426 SER HB2 1.0 0.0 4.3 527 294 A 427 CYS H A 426 SER HB3 1.0 0.0 4.3 528 295 A 426 SER HA A 428 TYR H 1.0 0.0 5.5 529 296 A 427 CYS H A 427 CYS HBy 1.0 0.0 3.2 530 296 A 427 CYS HBx A 427 CYS H 1.0 0.0 3.2 531 297 A 427 CYS H A 428 TYR H 1.0 0.0 4.1 532 298 A 428 TYR H A 427 CYS HBy 1.0 0.0 5.2 533 298 A 427 CYS HBx A 428 TYR H 1.0 0.0 5.2 534 299 A 427 CYS HA A 429 ARG H 1.0 0.0 4.1 535 300 A 440 HIS HD2 A 427 CYS HA 1.0 0.0 4.8 536 301 A 427 CYS HBy A 440 HIS HBy 1.0 0.0 4.3 537 301 A 427 CYS HBx A 440 HIS HBy 1.0 0.0 4.3 538 301 A 440 HIS HBx A 427 CYS HBy 1.0 0.0 4.3 539 301 A 440 HIS HBx A 427 CYS HBx 1.0 0.0 4.3 540 302 A 440 HIS HD2 A 427 CYS HBy 1.0 0.0 3.8 541 302 A 440 HIS HD2 A 427 CYS HBx 1.0 0.0 3.8 542 303 A 428 TYR H A 428 TYR HBy 1.0 0.0 4.1 543 303 A 428 TYR H A 428 TYR HBx 1.0 0.0 4.1 544 304 A 428 TYR H A 428 TYR HD% 1.0 0.0 4.2 545 305 A 428 TYR H A 428 TYR HE% 1.0 0.0 5.5 546 306 A 428 TYR HA A 428 TYR HD% 1.0 0.0 4.7 547 307 A 428 TYR HBx A 428 TYR HD% 1.0 0.0 3.7 548 307 A 428 TYR HD% A 428 TYR HBy 1.0 0.0 3.7 549 308 A 428 TYR HBx A 428 TYR HE% 1.0 0.0 5.5 550 308 A 428 TYR HE% A 428 TYR HBy 1.0 0.0 5.5 551 309 A 428 TYR H A 429 ARG H 1.0 0.0 3.6 552 310 A 428 TYR H A 429 ARG HA 1.0 0.0 5.5 553 311 A 428 TYR H A 429 ARG HBy 1.0 0.0 5.5 554 311 A 428 TYR H A 429 ARG HBx 1.0 0.0 5.5 555 312 A 428 TYR H A 429 ARG HGy 1.0 0.0 5.5 556 312 A 429 ARG HGx A 428 TYR H 1.0 0.0 5.5 557 313 A 429 ARG H A 428 TYR HBy 1.0 0.0 4.9 558 313 A 429 ARG H A 428 TYR HBx 1.0 0.0 4.9 559 314 A 429 ARG H A 428 TYR HD% 1.0 0.0 5.5 560 315 A 429 ARG HGx A 428 TYR HD% 1.0 0.0 5.5 561 315 A 428 TYR HD% A 429 ARG HGy 1.0 0.0 5.5 562 316 A 429 ARG H A 429 ARG HBy 1.0 0.0 4.2 563 316 A 429 ARG H A 429 ARG HBx 1.0 0.0 4.2 564 317 A 429 ARG H A 429 ARG HGy 1.0 0.0 3.7 565 317 A 429 ARG HGx A 429 ARG H 1.0 0.0 3.7 566 318 A 429 ARG H A 429 ARG HDy 1.0 0.0 5.5 567 318 A 429 ARG HDx A 429 ARG H 1.0 0.0 5.5 568 319 A 429 ARG HA A 429 ARG HDy 1.0 0.0 5.2 569 319 A 429 ARG HDx A 429 ARG HA 1.0 0.0 5.2 570 320 A 434 HIS HD2 A 429 ARG H 1.0 0.0 5.5 571 321 A 434 HIS HD2 A 429 ARG HBy 1.0 0.0 4.6 572 321 A 434 HIS HD2 A 429 ARG HBx 1.0 0.0 4.6 573 322 A 434 HIS HD2 A 429 ARG HGy 1.0 0.0 5.2 574 322 A 429 ARG HGx A 434 HIS HD2 1.0 0.0 5.2 575 323 A 434 HIS HE1 A 429 ARG HDy 1.0 0.0 5.4 576 323 A 434 HIS HE1 A 429 ARG HDx 1.0 0.0 5.4 577 324 A 433 GLN H A 432 PRO HB2 1.0 0.0 4.1 578 324 A 432 PRO HB3 A 433 GLN H 1.0 0.0 4.1 579 325 A 433 GLN H A 432 PRO HGy 1.0 0.0 3.6 580 325 A 433 GLN H A 432 PRO HGx 1.0 0.0 3.6 581 326 A 433 GLN H A 432 PRO HDy 1.0 0.0 3.7 582 326 A 433 GLN H A 432 PRO HDx 1.0 0.0 3.7 583 327 A 432 PRO HDy A 433 GLN HG2 1.0 0.0 3.5 584 327 A 432 PRO HDx A 433 GLN HG2 1.0 0.0 3.5 585 327 A 433 GLN HG3 A 432 PRO HDy 1.0 0.0 3.5 586 327 A 432 PRO HDx A 433 GLN HG3 1.0 0.0 3.5 587 328 A 432 PRO HA A 434 HIS H 1.0 0.0 5.5 588 329 A 434 HIS H A 432 PRO HDy 1.0 0.0 5.1 589 329 A 432 PRO HDx A 434 HIS H 1.0 0.0 5.1 590 330 A 432 PRO HA A 435 LYS H 1.0 0.0 4.3 591 331 A 432 PRO HA A 435 LYS HBy 1.0 0.0 4.3 592 331 A 432 PRO HA A 435 LYS HBx 1.0 0.0 4.3 593 332 A 432 PRO HA A 435 LYS HD2 1.0 0.0 4.1 594 332 A 432 PRO HA A 435 LYS HD3 1.0 0.0 4.1 595 333 A 432 PRO HA A 436 ILE H 1.0 0.0 5.5 596 334 A 433 GLN H A 433 GLN HBy 1.0 0.0 3.4 597 334 A 433 GLN H A 433 GLN HBx 1.0 0.0 3.4 598 335 A 433 GLN H A 433 GLN HG2 1.0 0.0 3.7 599 335 A 433 GLN H A 433 GLN HG3 1.0 0.0 3.7 600 336 A 433 GLN H A 433 GLN HE22 1.0 0.0 5.5 601 337 A 433 GLN HA A 433 GLN HG2 1.0 0.0 3.6 602 337 A 433 GLN HG3 A 433 GLN HA 1.0 0.0 3.6 603 338 A 433 GLN HA A 433 GLN HE21 1.0 0.0 5.4 604 339 A 433 GLN HBx A 433 GLN HG2 1.0 0.0 3.0 605 339 A 433 GLN HBy A 433 GLN HG2 1.0 0.0 3.0 606 339 A 433 GLN HG3 A 433 GLN HBy 1.0 0.0 3.0 607 339 A 433 GLN HG3 A 433 GLN HBx 1.0 0.0 3.0 608 340 A 433 GLN HE21 A 433 GLN HBy 1.0 0.0 5.4 609 340 A 433 GLN HBx A 433 GLN HE21 1.0 0.0 5.4 610 341 A 433 GLN HE22 A 433 GLN HBy 1.0 0.0 5.5 611 341 A 433 GLN HBx A 433 GLN HE22 1.0 0.0 5.5 612 342 A 433 GLN HE21 A 433 GLN HG2 1.0 0.0 3.6 613 342 A 433 GLN HG3 A 433 GLN HE21 1.0 0.0 3.6 614 343 A 433 GLN HE22 A 433 GLN HG2 1.0 0.0 4.1 615 343 A 433 GLN HG3 A 433 GLN HE22 1.0 0.0 4.1 616 344 A 433 GLN H A 434 HIS H 1.0 0.0 3.5 617 345 A 433 GLN H A 434 HIS HA 1.0 0.0 5.5 618 346 A 433 GLN H A 434 HIS HBy 1.0 0.0 5.5 619 346 A 433 GLN H A 434 HIS HBx 1.0 0.0 5.5 620 347 A 434 HIS H A 433 GLN HBy 1.0 0.0 4.3 621 347 A 434 HIS H A 433 GLN HBx 1.0 0.0 4.3 622 348 A 434 HIS H A 433 GLN HG2 1.0 0.0 4.8 623 348 A 433 GLN HG3 A 434 HIS H 1.0 0.0 4.8 624 349 A 434 HIS HA A 433 GLN HG2 1.0 0.0 5.1 625 349 A 433 GLN HG3 A 434 HIS HA 1.0 0.0 5.1 626 350 A 434 HIS H A 433 GLN HE21 1.0 0.0 5.5 627 351 A 433 GLN HE22 A 434 HIS HA 1.0 0.0 4.3 628 352 A 433 GLN H A 435 LYS H 1.0 0.0 4.7 629 353 A 435 LYS H A 433 GLN HA 1.0 0.0 4.7 630 354 A 435 LYS H A 433 GLN HG2 1.0 0.0 5.5 631 354 A 433 GLN HG3 A 435 LYS H 1.0 0.0 5.5 632 355 A 433 GLN H A 436 ILE HD1% 1.0 0.0 5.5 633 356 A 436 ILE H A 433 GLN HA 1.0 0.0 4.0 634 357 A 433 GLN HA A 436 ILE HD1% 1.0 0.0 3.2 635 358 A 436 ILE HG2% A 433 GLN HBy 1.0 0.0 4.6 636 358 A 433 GLN HBx A 436 ILE HG2% 1.0 0.0 4.6 637 359 A 436 ILE HD1% A 433 GLN HBy 1.0 0.0 4.7 638 359 A 433 GLN HBx A 436 ILE HD1% 1.0 0.0 4.7 639 360 A 436 ILE H A 433 GLN HG2 1.0 0.0 5.5 640 360 A 433 GLN HG3 A 436 ILE H 1.0 0.0 5.5 641 361 A 436 ILE HG2% A 433 GLN HG2 1.0 0.0 5.1 642 361 A 433 GLN HG3 A 436 ILE HG2% 1.0 0.0 5.1 643 362 A 436 ILE HD1% A 433 GLN HG2 1.0 0.0 5.1 644 362 A 433 GLN HG3 A 436 ILE HD1% 1.0 0.0 5.1 645 363 A 433 GLN HE21 A 436 ILE HG2% 1.0 0.0 5.5 646 364 A 433 GLN HE22 A 436 ILE HG2% 1.0 0.0 4.7 647 365 A 433 GLN HE21 A 436 ILE HD1% 1.0 0.0 5.5 648 366 A 433 GLN HE22 A 436 ILE HD1% 1.0 0.0 5.5 649 367 A 433 GLN HA A 437 GLU H 1.0 0.0 4.9 650 368 A 433 GLN HA A 437 GLU HGy 1.0 0.0 4.5 651 368 A 433 GLN HA A 437 GLU HGx 1.0 0.0 4.5 652 369 A 433 GLN HBy A 437 GLU HBy 1.0 0.0 4.1 653 369 A 433 GLN HBx A 437 GLU HBy 1.0 0.0 4.1 654 369 A 437 GLU HBx A 433 GLN HBy 1.0 0.0 4.1 655 369 A 433 GLN HBx A 437 GLU HBx 1.0 0.0 4.1 656 370 A 433 GLN HBy A 437 GLU HGy 1.0 0.0 3.7 657 370 A 433 GLN HBx A 437 GLU HGy 1.0 0.0 3.7 658 370 A 437 GLU HGx A 433 GLN HBy 1.0 0.0 3.7 659 370 A 433 GLN HBx A 437 GLU HGx 1.0 0.0 3.7 660 371 A 437 GLU H A 433 GLN HG2 1.0 0.0 5.5 661 371 A 433 GLN HG3 A 437 GLU H 1.0 0.0 5.5 662 372 A 433 GLN HE22 A 437 GLU H 1.0 0.0 5.1 663 373 A 433 GLN HE22 A 437 GLU HBy 1.0 0.0 4.1 664 373 A 433 GLN HE22 A 437 GLU HBx 1.0 0.0 4.1 665 374 A 433 GLN HE21 A 437 GLU HGy 1.0 0.0 4.7 666 374 A 433 GLN HE21 A 437 GLU HGx 1.0 0.0 4.7 667 375 A 433 GLN HE22 A 437 GLU HGy 1.0 0.0 5.0 668 375 A 433 GLN HE22 A 437 GLU HGx 1.0 0.0 5.0 669 376 A 434 HIS H A 434 HIS HBy 1.0 0.0 3.4 670 376 A 434 HIS H A 434 HIS HBx 1.0 0.0 3.4 671 377 A 434 HIS HD2 A 434 HIS H 1.0 0.0 5.5 672 378 A 434 HIS H A 435 LYS H 1.0 0.0 3.6 673 379 A 434 HIS H A 435 LYS HBy 1.0 0.0 5.3 674 379 A 434 HIS H A 435 LYS HBx 1.0 0.0 5.3 675 380 A 434 HIS H A 435 LYS HD2 1.0 0.0 5.5 676 380 A 434 HIS H A 435 LYS HD3 1.0 0.0 5.5 677 381 A 434 HIS H A 435 LYS HE2 1.0 0.0 5.5 678 381 A 434 HIS H A 435 LYS HE3 1.0 0.0 5.5 679 382 A 435 LYS H A 434 HIS HBy 1.0 0.0 3.9 680 382 A 435 LYS H A 434 HIS HBx 1.0 0.0 3.9 681 383 A 434 HIS HD2 A 435 LYS H 1.0 0.0 5.5 682 384 A 434 HIS HD2 A 435 LYS HA 1.0 0.0 5.3 683 385 A 434 HIS HD2 A 435 LYS HD2 1.0 0.0 5.5 684 385 A 434 HIS HD2 A 435 LYS HD3 1.0 0.0 5.5 685 386 A 434 HIS H A 436 ILE H 1.0 0.0 4.8 686 387 A 434 HIS H A 436 ILE HG2% 1.0 0.0 5.5 687 388 A 436 ILE H A 434 HIS HA 1.0 0.0 5.0 688 389 A 436 ILE H A 434 HIS HBy 1.0 0.0 5.4 689 389 A 436 ILE H A 434 HIS HBx 1.0 0.0 5.4 690 390 A 434 HIS H A 437 GLU H 1.0 0.0 5.4 691 391 A 434 HIS H A 437 GLU HBy 1.0 0.0 5.5 692 391 A 434 HIS H A 437 GLU HBx 1.0 0.0 5.5 693 392 A 434 HIS HA A 437 GLU H 1.0 0.0 4.3 694 393 A 434 HIS HA A 437 GLU HBy 1.0 0.0 4.0 695 393 A 434 HIS HA A 437 GLU HBx 1.0 0.0 4.0 696 394 A 438 TYR H A 434 HIS HA 1.0 0.0 5.1 697 395 A 440 HIS HE1 A 434 HIS HBy 1.0 0.0 5.5 698 395 A 440 HIS HE1 A 434 HIS HBx 1.0 0.0 5.5 699 396 A 440 HIS HE1 A 434 HIS HD2 1.0 0.0 4.3 700 397 A 435 LYS H A 435 LYS HBy 1.0 0.0 3.7 701 397 A 435 LYS H A 435 LYS HBx 1.0 0.0 3.7 702 398 A 435 LYS H A 435 LYS HGy 1.0 0.0 4.3 703 398 A 435 LYS H A 435 LYS HGx 1.0 0.0 4.3 704 399 A 435 LYS H A 435 LYS HD2 1.0 0.0 4.2 705 399 A 435 LYS H A 435 LYS HD3 1.0 0.0 4.2 706 400 A 435 LYS HA A 435 LYS HGy 1.0 0.0 3.9 707 400 A 435 LYS HA A 435 LYS HGx 1.0 0.0 3.9 708 401 A 435 LYS HA A 435 LYS HD2 1.0 0.0 3.9 709 401 A 435 LYS HD3 A 435 LYS HA 1.0 0.0 3.9 710 402 A 435 LYS HA A 435 LYS HE2 1.0 0.0 5.1 711 402 A 435 LYS HE3 A 435 LYS HA 1.0 0.0 5.1 712 403 A 435 LYS HBy A 435 LYS HD2 1.0 0.0 3.8 713 403 A 435 LYS HBx A 435 LYS HD2 1.0 0.0 3.8 714 403 A 435 LYS HD3 A 435 LYS HBy 1.0 0.0 3.8 715 403 A 435 LYS HBx A 435 LYS HD3 1.0 0.0 3.8 716 404 A 435 LYS HBy A 435 LYS HE2 1.0 0.0 4.6 717 404 A 435 LYS HBx A 435 LYS HE2 1.0 0.0 4.6 718 404 A 435 LYS HE3 A 435 LYS HBy 1.0 0.0 4.6 719 404 A 435 LYS HBx A 435 LYS HE3 1.0 0.0 4.6 720 405 A 435 LYS HE2 A 435 LYS HGy 1.0 0.0 4.2 721 405 A 435 LYS HE3 A 435 LYS HGy 1.0 0.0 4.2 722 405 A 435 LYS HGx A 435 LYS HE2 1.0 0.0 4.2 723 405 A 435 LYS HE3 A 435 LYS HGx 1.0 0.0 4.2 724 406 A 435 LYS H A 436 ILE H 1.0 0.0 3.5 725 407 A 435 LYS H A 436 ILE HA 1.0 0.0 5.5 726 408 A 435 LYS H A 436 ILE HG2% 1.0 0.0 5.0 727 409 A 435 LYS HA A 436 ILE HA 1.0 0.0 4.9 728 410 A 436 ILE H A 435 LYS HBy 1.0 0.0 4.4 729 410 A 435 LYS HBx A 436 ILE H 1.0 0.0 4.4 730 411 A 436 ILE HA A 435 LYS HBy 1.0 0.0 5.2 731 411 A 435 LYS HBx A 436 ILE HA 1.0 0.0 5.2 732 412 A 435 LYS H A 437 GLU H 1.0 0.0 4.8 733 413 A 438 TYR H A 435 LYS HA 1.0 0.0 4.7 734 414 A 440 HIS HE1 A 435 LYS HA 1.0 0.0 4.1 735 415 A 440 HIS HE1 A 435 LYS HGy 1.0 0.0 5.4 736 415 A 440 HIS HE1 A 435 LYS HGx 1.0 0.0 5.4 737 416 A 440 HIS HE1 A 435 LYS HD2 1.0 0.0 5.3 738 416 A 440 HIS HE1 A 435 LYS HD3 1.0 0.0 5.3 739 417 A 436 ILE H A 436 ILE HB 1.0 0.0 3.2 740 418 A 436 ILE H A 436 ILE HG2% 1.0 0.0 3.7 741 419 A 436 ILE H A 436 ILE HD1% 1.0 0.0 4.1 742 420 A 436 ILE HA A 436 ILE HG1y 1.0 0.0 3.7 743 420 A 436 ILE HA A 436 ILE HG1x 1.0 0.0 3.7 744 421 A 436 ILE HG2% A 436 ILE HA 1.0 0.0 3.2 745 422 A 436 ILE HD1% A 436 ILE HA 1.0 0.0 4.1 746 423 A 436 ILE HD1% A 436 ILE HB 1.0 0.0 3.5 747 424 A 436 ILE HG2% A 436 ILE HG1y 1.0 0.0 3.8 748 424 A 436 ILE HG2% A 436 ILE HG1x 1.0 0.0 3.8 749 425 A 436 ILE H A 437 GLU H 1.0 0.0 3.2 750 426 A 437 GLU HA A 436 ILE H 1.0 0.0 5.3 751 427 A 436 ILE H A 437 GLU HGy 1.0 0.0 5.5 752 427 A 436 ILE H A 437 GLU HGx 1.0 0.0 5.5 753 428 A 437 GLU H A 436 ILE HB 1.0 0.0 5.5 754 429 A 437 GLU H A 436 ILE HG1y 1.0 0.0 5.1 755 429 A 437 GLU H A 436 ILE HG1x 1.0 0.0 5.1 756 430 A 436 ILE HG2% A 437 GLU H 1.0 0.0 4.0 757 431 A 437 GLU HA A 436 ILE HG1y 1.0 0.0 5.2 758 431 A 437 GLU HA A 436 ILE HG1x 1.0 0.0 5.2 759 432 A 437 GLU HA A 436 ILE HG2% 1.0 0.0 4.7 760 433 A 436 ILE HG2% A 437 GLU HBy 1.0 0.0 5.5 761 433 A 436 ILE HG2% A 437 GLU HBx 1.0 0.0 5.5 762 434 A 436 ILE HD1% A 437 GLU H 1.0 0.0 4.7 763 435 A 436 ILE HD1% A 437 GLU HBy 1.0 0.0 4.2 764 435 A 436 ILE HD1% A 437 GLU HBx 1.0 0.0 4.2 765 436 A 436 ILE HD1% A 437 GLU HGy 1.0 0.0 4.8 766 436 A 436 ILE HD1% A 437 GLU HGx 1.0 0.0 4.8 767 437 A 438 TYR H A 436 ILE HA 1.0 0.0 5.4 768 438 A 438 TYR H A 436 ILE HG2% 1.0 0.0 5.5 769 439 A 437 GLU H A 437 GLU HBy 1.0 0.0 3.3 770 439 A 437 GLU H A 437 GLU HBx 1.0 0.0 3.3 771 440 A 437 GLU H A 437 GLU HGy 1.0 0.0 4.1 772 440 A 437 GLU H A 437 GLU HGx 1.0 0.0 4.1 773 441 A 437 GLU HA A 437 GLU HGy 1.0 0.0 4.0 774 441 A 437 GLU HA A 437 GLU HGx 1.0 0.0 4.0 775 442 A 438 TYR H A 437 GLU H 1.0 0.0 3.6 776 443 A 438 TYR H A 437 GLU HBy 1.0 0.0 4.1 777 443 A 438 TYR H A 437 GLU HBx 1.0 0.0 4.1 778 444 A 438 TYR H A 437 GLU HGy 1.0 0.0 5.2 779 444 A 438 TYR H A 437 GLU HGx 1.0 0.0 5.2 780 445 A 438 TYR H A 438 TYR HBy 1.0 0.0 3.8 781 445 A 438 TYR H A 438 TYR HBx 1.0 0.0 3.8 782 446 A 438 TYR HA A 438 TYR HD% 1.0 0.0 3.2 783 447 A 438 TYR HD% A 438 TYR HBy 1.0 0.0 3.7 784 447 A 438 TYR HD% A 438 TYR HBx 1.0 0.0 3.7 785 448 A 438 TYR HE% A 438 TYR HBy 1.0 0.0 5.1 786 448 A 438 TYR HE% A 438 TYR HBx 1.0 0.0 5.1 787 449 A 438 TYR H A 439 ARG H 1.0 0.0 4.9 788 450 A 438 TYR HA A 439 ARG H 1.0 0.0 3.5 789 451 A 439 ARG H A 438 TYR HBy 1.0 0.0 3.9 790 451 A 439 ARG H A 438 TYR HBx 1.0 0.0 3.9 791 452 A 439 ARG H A 438 TYR HD% 1.0 0.0 4.3 792 453 A 438 TYR H A 440 HIS HE1 1.0 0.0 4.7 793 454 A 440 HIS HE1 A 438 TYR HBy 1.0 0.0 4.4 794 454 A 438 TYR HBx A 440 HIS HE1 1.0 0.0 4.4 795 455 A 439 ARG H A 439 ARG HB2 1.0 0.0 3.6 796 455 A 439 ARG H A 439 ARG HB3 1.0 0.0 3.6 797 456 A 439 ARG H A 439 ARG HG2 1.0 0.0 3.8 798 456 A 439 ARG HG3 A 439 ARG H 1.0 0.0 3.8 799 457 A 439 ARG H A 439 ARG HDy 1.0 0.0 5.5 800 457 A 439 ARG HDx A 439 ARG H 1.0 0.0 5.5 801 458 A 439 ARG HA A 439 ARG HG2 1.0 0.0 3.9 802 458 A 439 ARG HG3 A 439 ARG HA 1.0 0.0 3.9 803 459 A 439 ARG HA A 439 ARG HDy 1.0 0.0 5.1 804 459 A 439 ARG HDx A 439 ARG HA 1.0 0.0 5.1 805 460 A 439 ARG HB3 A 439 ARG HG2 1.0 0.0 3.0 806 460 A 439 ARG HB2 A 439 ARG HG2 1.0 0.0 3.0 807 460 A 439 ARG HG3 A 439 ARG HB2 1.0 0.0 3.0 808 460 A 439 ARG HG3 A 439 ARG HB3 1.0 0.0 3.0 809 461 A 439 ARG HB2 A 439 ARG HDy 1.0 0.0 3.5 810 461 A 439 ARG HB3 A 439 ARG HDy 1.0 0.0 3.5 811 461 A 439 ARG HDx A 439 ARG HB2 1.0 0.0 3.5 812 461 A 439 ARG HDx A 439 ARG HB3 1.0 0.0 3.5 813 462 A 439 ARG H A 440 HIS H 1.0 0.0 5.5 814 463 A 439 ARG H A 440 HIS HE1 1.0 0.0 5.5 815 464 A 440 HIS H A 439 ARG HA 1.0 0.0 3.5 816 465 A 440 HIS H A 439 ARG HB2 1.0 0.0 4.4 817 465 A 439 ARG HB3 A 440 HIS H 1.0 0.0 4.4 818 466 A 440 HIS H A 439 ARG HG2 1.0 0.0 4.8 819 466 A 439 ARG HG3 A 440 HIS H 1.0 0.0 4.8 820 467 A 439 ARG HA A 441 ASN H 1.0 0.0 5.2 821 468 A 441 ASN H A 439 ARG HB2 1.0 0.0 5.1 822 468 A 439 ARG HB3 A 441 ASN H 1.0 0.0 5.1 823 469 A 441 ASN HD21 A 439 ARG HB2 1.0 0.0 5.5 824 469 A 439 ARG HB3 A 441 ASN HD21 1.0 0.0 5.5 825 470 A 441 ASN HD22 A 439 ARG HB2 1.0 0.0 5.5 826 470 A 439 ARG HB3 A 441 ASN HD22 1.0 0.0 5.5 827 471 A 441 ASN H A 439 ARG HG2 1.0 0.0 5.1 828 471 A 439 ARG HG3 A 441 ASN H 1.0 0.0 5.1 829 472 A 441 ASN HD22 A 439 ARG HDy 1.0 0.0 5.5 830 472 A 439 ARG HDx A 441 ASN HD22 1.0 0.0 5.5 831 473 A 442 THR HA A 439 ARG HB2 1.0 0.0 5.0 832 473 A 439 ARG HB3 A 442 THR HA 1.0 0.0 5.0 833 474 A 442 THR H A 439 ARG HG2 1.0 0.0 5.5 834 474 A 439 ARG HG3 A 442 THR H 1.0 0.0 5.5 835 475 A 442 THR HG2% A 439 ARG HG2 1.0 0.0 4.7 836 475 A 439 ARG HG3 A 442 THR HG2% 1.0 0.0 4.7 837 476 A 440 HIS H A 440 HIS HE1 1.0 0.0 5.5 838 477 A 440 HIS H A 441 ASN HD22 1.0 0.0 5.5 839 478 A 440 HIS HA A 441 ASN H 1.0 0.0 3.5 840 479 A 440 HIS HA A 441 ASN HD21 1.0 0.0 5.3 841 480 A 441 ASN H A 440 HIS HBy 1.0 0.0 4.6 842 480 A 440 HIS HBx A 441 ASN H 1.0 0.0 4.6 843 481 A 441 ASN H A 441 ASN HBy 1.0 0.0 3.6 844 481 A 441 ASN H A 441 ASN HBx 1.0 0.0 3.6 845 482 A 441 ASN H A 441 ASN HD21 1.0 0.0 5.5 846 483 A 441 ASN HA A 441 ASN HBy 1.0 0.0 3.0 847 483 A 441 ASN HBx A 441 ASN HA 1.0 0.0 3.0 848 484 A 441 ASN HD21 A 441 ASN HA 1.0 0.0 5.5 849 485 A 441 ASN HD22 A 441 ASN HA 1.0 0.0 5.5 850 486 A 441 ASN HD21 A 441 ASN HBy 1.0 0.0 3.8 851 486 A 441 ASN HD21 A 441 ASN HBx 1.0 0.0 3.8 852 487 A 441 ASN HD22 A 441 ASN HBy 1.0 0.0 4.1 853 487 A 441 ASN HD22 A 441 ASN HBx 1.0 0.0 4.1 854 488 A 441 ASN H A 442 THR H 1.0 0.0 4.2 855 489 A 441 ASN H A 442 THR HA 1.0 0.0 5.5 856 490 A 441 ASN H A 442 THR HG2% 1.0 0.0 5.5 857 491 A 442 THR H A 441 ASN HBy 1.0 0.0 3.9 858 491 A 442 THR H A 441 ASN HBx 1.0 0.0 3.9 859 492 A 442 THR HA A 441 ASN HBy 1.0 0.0 5.0 860 492 A 442 THR HA A 441 ASN HBx 1.0 0.0 5.0 861 493 A 443 LEU H A 441 ASN HBy 1.0 0.0 5.3 862 493 A 441 ASN HBx A 443 LEU H 1.0 0.0 5.3 863 494 A 441 ASN HBx A 443 LEU HBy 1.0 0.0 4.0 864 494 A 441 ASN HBy A 443 LEU HBy 1.0 0.0 4.0 865 494 A 443 LEU HBx A 441 ASN HBy 1.0 0.0 4.0 866 494 A 441 ASN HBx A 443 LEU HBx 1.0 0.0 4.0 867 495 A 441 ASN HBx A 443 LEU HDx% 1.0 0.0 4.8 868 495 A 441 ASN HBy A 443 LEU HDx% 1.0 0.0 4.8 869 495 A 443 LEU HDy% A 441 ASN HBy 1.0 0.0 4.8 870 495 A 441 ASN HBx A 443 LEU HDy% 1.0 0.0 4.8 871 496 A 441 ASN HD21 A 443 LEU HDx% 1.0 0.0 5.5 872 496 A 441 ASN HD21 A 443 LEU HDy% 1.0 0.0 5.5 873 497 A 441 ASN HD22 A 443 LEU HDx% 1.0 0.0 5.5 874 497 A 441 ASN HD22 A 443 LEU HDy% 1.0 0.0 5.5 875 498 A 442 THR HA A 442 THR H 1.0 0.0 2.9 876 499 A 442 THR H A 442 THR HB 1.0 0.0 3.9 877 500 A 442 THR H A 442 THR HG2% 1.0 0.0 4.2 878 501 A 442 THR HA A 442 THR HB 1.0 0.0 3.0 879 502 A 442 THR HA A 442 THR HG2% 1.0 0.0 3.4 880 503 A 442 THR H A 443 LEU H 1.0 0.0 3.2 881 504 A 442 THR H A 443 LEU HA 1.0 0.0 5.5 882 505 A 442 THR H A 443 LEU HBy 1.0 0.0 5.5 883 505 A 442 THR H A 443 LEU HBx 1.0 0.0 5.5 884 506 A 442 THR HA A 443 LEU H 1.0 0.0 2.9 885 507 A 442 THR HA A 443 LEU HDx% 1.0 0.0 5.5 886 507 A 442 THR HA A 443 LEU HDy% 1.0 0.0 5.5 887 508 A 442 THR HG2% A 443 LEU H 1.0 0.0 4.6 888 509 A 443 LEU H A 443 LEU HBy 1.0 0.0 3.4 889 509 A 443 LEU H A 443 LEU HBx 1.0 0.0 3.4 890 510 A 443 LEU H A 443 LEU HG 1.0 0.0 4.4 891 511 A 443 LEU H A 443 LEU HDx% 1.0 0.0 4.8 892 511 A 443 LEU H A 443 LEU HDy% 1.0 0.0 4.8 893 512 A 443 LEU HA A 443 LEU HDx% 1.0 0.0 3.8 894 512 A 443 LEU HDy% A 443 LEU HA 1.0 0.0 3.8 895 513 A 443 LEU HBy A 443 LEU HDx% 1.0 0.0 3.7 896 513 A 443 LEU HBx A 443 LEU HDx% 1.0 0.0 3.7 897 513 A 443 LEU HDy% A 443 LEU HBy 1.0 0.0 3.7 898 513 A 443 LEU HBx A 443 LEU HDy% 1.0 0.0 3.7 899 514 A 443 LEU H A 444 PRO HDy 1.0 0.0 5.2 900 514 A 443 LEU H A 444 PRO HDx 1.0 0.0 5.2 901 515 A 443 LEU HA A 444 PRO HA 1.0 0.0 4.4 902 516 A 443 LEU HA A 444 PRO HDy 1.0 0.0 3.2 903 516 A 443 LEU HA A 444 PRO HDx 1.0 0.0 3.2 904 517 A 443 LEU HBy A 444 PRO HDy 1.0 0.0 3.7 905 517 A 443 LEU HBx A 444 PRO HDy 1.0 0.0 3.7 906 517 A 444 PRO HDx A 443 LEU HBy 1.0 0.0 3.7 907 517 A 443 LEU HBx A 444 PRO HDx 1.0 0.0 3.7 908 518 A 443 LEU HG A 444 PRO HG2 1.0 0.0 4.5 909 518 A 443 LEU HG A 444 PRO HG3 1.0 0.0 4.5 910 519 A 443 LEU HDx% A 444 PRO HDy 1.0 0.0 4.3 911 519 A 443 LEU HDy% A 444 PRO HDy 1.0 0.0 4.3 912 519 A 444 PRO HDx A 443 LEU HDx% 1.0 0.0 4.3 913 519 A 443 LEU HDy% A 444 PRO HDx 1.0 0.0 4.3 914 520 A 443 LEU HBy A 445 VAL HGx% 1.0 0.0 4.5 915 520 A 443 LEU HBx A 445 VAL HGx% 1.0 0.0 4.5 916 520 A 445 VAL HGy% A 443 LEU HBy 1.0 0.0 4.5 917 520 A 443 LEU HBx A 445 VAL HGy% 1.0 0.0 4.5 918 521 A 444 PRO HA A 445 VAL H 1.0 0.0 2.6 919 522 A 444 PRO HA A 445 VAL HA 1.0 0.0 4.5 920 523 A 444 PRO HA A 445 VAL HGx% 1.0 0.0 4.7 921 523 A 444 PRO HA A 445 VAL HGy% 1.0 0.0 4.7 922 524 A 445 VAL H A 444 PRO HBy 1.0 0.0 4.2 923 524 A 445 VAL H A 444 PRO HBx 1.0 0.0 4.2 924 525 A 444 PRO HBx A 445 VAL HGx% 1.0 0.0 5.0 925 525 A 444 PRO HBy A 445 VAL HGx% 1.0 0.0 5.0 926 525 A 445 VAL HGy% A 444 PRO HBy 1.0 0.0 5.0 927 525 A 445 VAL HGy% A 444 PRO HBx 1.0 0.0 5.0 928 526 A 445 VAL H A 444 PRO HDy 1.0 0.0 5.5 929 526 A 444 PRO HDx A 445 VAL H 1.0 0.0 5.5 930 527 A 444 PRO HA A 446 ARG H 1.0 0.0 5.2 931 528 A 444 PRO HBy A 446 ARG HGy 1.0 0.0 4.6 932 528 A 444 PRO HBx A 446 ARG HGy 1.0 0.0 4.6 933 528 A 446 ARG HGx A 444 PRO HBy 1.0 0.0 4.6 934 528 A 444 PRO HBx A 446 ARG HGx 1.0 0.0 4.6 935 529 A 444 PRO HA A 447 ASN H 1.0 0.0 5.3 936 530 A 445 VAL H A 445 VAL HB 1.0 0.0 3.4 937 531 A 445 VAL H A 445 VAL HGx% 1.0 0.0 3.8 938 531 A 445 VAL HGy% A 445 VAL H 1.0 0.0 3.8 939 532 A 445 VAL HA A 445 VAL HGx% 1.0 0.0 3.4 940 532 A 445 VAL HGy% A 445 VAL HA 1.0 0.0 3.4 941 533 A 445 VAL H A 446 ARG H 1.0 0.0 3.9 942 534 A 445 VAL HA A 446 ARG H 1.0 0.0 2.7 943 535 A 446 ARG H A 445 VAL HB 1.0 0.0 4.7 944 536 A 445 VAL HB A 446 ARG HA 1.0 0.0 5.5 945 537 A 446 ARG HA A 445 VAL HGx% 1.0 0.0 4.8 946 537 A 445 VAL HGy% A 446 ARG HA 1.0 0.0 4.8 947 538 A 445 VAL HGy% A 446 ARG HBy 1.0 0.0 4.2 948 538 A 445 VAL HGx% A 446 ARG HBy 1.0 0.0 4.2 949 538 A 446 ARG HBx A 445 VAL HGx% 1.0 0.0 4.2 950 538 A 445 VAL HGy% A 446 ARG HBx 1.0 0.0 4.2 951 539 A 445 VAL HGy% A 446 ARG HD2 1.0 0.0 5.4 952 539 A 445 VAL HGx% A 446 ARG HD2 1.0 0.0 5.4 953 539 A 446 ARG HD3 A 445 VAL HGx% 1.0 0.0 5.4 954 539 A 445 VAL HGy% A 446 ARG HD3 1.0 0.0 5.4 955 540 A 445 VAL H A 447 ASN H 1.0 0.0 3.8 956 541 A 446 ARG H A 446 ARG HBy 1.0 0.0 3.7 957 541 A 446 ARG H A 446 ARG HBx 1.0 0.0 3.7 958 542 A 446 ARG H A 446 ARG HGy 1.0 0.0 4.7 959 542 A 446 ARG H A 446 ARG HGx 1.0 0.0 4.7 960 543 A 446 ARG HA A 446 ARG HD2 1.0 0.0 5.0 961 543 A 446 ARG HA A 446 ARG HD3 1.0 0.0 5.0 962 544 A 446 ARG HBx A 446 ARG HGy 1.0 0.0 2.9 963 544 A 446 ARG HBy A 446 ARG HGy 1.0 0.0 2.9 964 544 A 446 ARG HGx A 446 ARG HBy 1.0 0.0 2.9 965 544 A 446 ARG HGx A 446 ARG HBx 1.0 0.0 2.9 966 545 A 446 ARG H A 447 ASN H 1.0 0.0 4.6 967 546 A 446 ARG H A 447 ASN HA 1.0 0.0 5.2 968 547 A 447 ASN H A 446 ARG HBy 1.0 0.0 4.8 969 547 A 447 ASN H A 446 ARG HBx 1.0 0.0 4.8 970 548 A 447 ASN HD21 A 446 ARG HBy 1.0 0.0 5.5 971 548 A 446 ARG HBx A 447 ASN HD21 1.0 0.0 5.5 972 549 A 446 ARG HA A 448 VAL H 1.0 0.0 4.8 973 550 A 447 ASN H A 447 ASN HBy 1.0 0.0 4.1 974 550 A 447 ASN H A 447 ASN HBx 1.0 0.0 4.1 975 551 A 447 ASN H A 447 ASN HD21 1.0 0.0 5.2 976 552 A 447 ASN HA A 447 ASN HD21 1.0 0.0 5.4 977 553 A 447 ASN HA A 447 ASN HD22 1.0 0.0 5.1 978 554 A 447 ASN H A 448 VAL H 1.0 0.0 4.5 979 555 A 447 ASN H A 448 VAL HA 1.0 0.0 5.2 980 556 A 447 ASN H A 448 VAL HGx% 1.0 0.0 5.5 981 556 A 447 ASN H A 448 VAL HGy% 1.0 0.0 5.5 982 557 A 447 ASN HA A 448 VAL H 1.0 0.0 3.0 983 558 A 447 ASN HA A 448 VAL HGx% 1.0 0.0 5.0 984 558 A 447 ASN HA A 448 VAL HGy% 1.0 0.0 5.0 985 559 A 448 VAL H A 447 ASN HBy 1.0 0.0 4.6 986 559 A 448 VAL H A 447 ASN HBx 1.0 0.0 4.6 987 560 A 447 ASN HD21 A 448 VAL H 1.0 0.0 5.5 988 561 A 447 ASN HA A 449 LEU H 1.0 0.0 5.2 989 562 A 449 LEU H A 447 ASN HBy 1.0 0.0 5.5 990 562 A 447 ASN HBx A 449 LEU H 1.0 0.0 5.5 991 563 A 447 ASN HA A 450 ASP H 1.0 0.0 4.6 992 564 A 447 ASN HD21 A 450 ASP H 1.0 0.0 5.5 993 565 A 447 ASN HD22 A 450 ASP H 1.0 0.0 5.5 994 566 A 447 ASN HD21 A 450 ASP HA 1.0 0.0 5.5 995 567 A 448 VAL H A 448 VAL HB 1.0 0.0 3.6 996 568 A 448 VAL H A 448 VAL HGx% 1.0 0.0 3.7 997 568 A 448 VAL H A 448 VAL HGy% 1.0 0.0 3.7 998 569 A 448 VAL HA A 448 VAL HGx% 1.0 0.0 3.4 999 569 A 448 VAL HA A 448 VAL HGy% 1.0 0.0 3.4 1000 570 A 448 VAL H A 449 LEU H 1.0 0.0 3.4 1001 571 A 448 VAL H A 449 LEU HB2 1.0 0.0 5.5 1002 571 A 448 VAL H A 449 LEU HB3 1.0 0.0 5.5 1003 572 A 448 VAL HA A 449 LEU H 1.0 0.0 3.0 1004 573 A 448 VAL HA A 449 LEU HA 1.0 0.0 4.6 1005 574 A 449 LEU H A 448 VAL HB 1.0 0.0 4.4 1006 575 A 448 VAL HB A 449 LEU HD1% 1.0 0.0 5.0 1007 575 A 448 VAL HB A 449 LEU HD2% 1.0 0.0 5.0 1008 576 A 448 VAL H A 450 ASP HA 1.0 0.0 5.5 1009 577 A 448 VAL HA A 450 ASP H 1.0 0.0 5.3 1010 578 A 449 LEU H A 449 LEU HB2 1.0 0.0 3.7 1011 578 A 449 LEU H A 449 LEU HB3 1.0 0.0 3.7 1012 579 A 449 LEU H A 449 LEU HG 1.0 0.0 5.0 1013 580 A 449 LEU H A 449 LEU HD1% 1.0 0.0 5.5 1014 580 A 449 LEU H A 449 LEU HD2% 1.0 0.0 5.5 1015 581 A 449 LEU HA A 449 LEU HD1% 1.0 0.0 3.8 1016 581 A 449 LEU HA A 449 LEU HD2% 1.0 0.0 3.8 1017 582 A 449 LEU H A 450 ASP H 1.0 0.0 4.4 1018 583 A 450 ASP H A 449 LEU HA 1.0 0.0 3.3 1019 584 A 450 ASP H A 449 LEU HB2 1.0 0.0 4.6 1020 584 A 450 ASP H A 449 LEU HB3 1.0 0.0 4.6 1021 585 A 450 ASP H A 449 LEU HD1% 1.0 0.0 5.5 1022 585 A 450 ASP H A 449 LEU HD2% 1.0 0.0 5.5 1023 586 A 449 LEU H A 451 GLU HG2 1.0 0.0 5.5 1024 586 A 449 LEU H A 451 GLU HG3 1.0 0.0 5.5 1025 587 A 449 LEU HB3 A 451 GLU HG2 1.0 0.0 4.5 1026 587 A 449 LEU HB2 A 451 GLU HG2 1.0 0.0 4.5 1027 587 A 451 GLU HG3 A 449 LEU HB2 1.0 0.0 4.5 1028 587 A 449 LEU HB3 A 451 GLU HG3 1.0 0.0 4.5 1029 588 A 451 GLU HA A 449 LEU HD1% 1.0 0.0 4.9 1030 588 A 449 LEU HD2% A 451 GLU HA 1.0 0.0 4.9 1031 589 A 449 LEU HD2% A 451 GLU HG2 1.0 0.0 5.3 1032 589 A 449 LEU HD1% A 451 GLU HG2 1.0 0.0 5.3 1033 589 A 451 GLU HG3 A 449 LEU HD1% 1.0 0.0 5.3 1034 589 A 449 LEU HD2% A 451 GLU HG3 1.0 0.0 5.3 1035 590 A 450 ASP H A 450 ASP HBy 1.0 0.0 4.0 1036 590 A 450 ASP H A 450 ASP HBx 1.0 0.0 4.0 1037 591 A 450 ASP H A 451 GLU H 1.0 0.0 4.2 1038 592 A 451 GLU H A 450 ASP HBy 1.0 0.0 5.2 1039 592 A 450 ASP HBx A 451 GLU H 1.0 0.0 5.2 1040 593 A 451 GLU HA A 451 GLU HG2 1.0 0.0 4.3 1041 593 A 451 GLU HG3 A 451 GLU HA 1.0 0.0 4.3 1042 594 A 451 GLU HBy A 451 GLU HG2 1.0 0.0 2.6 1043 594 A 451 GLU HBx A 451 GLU HG2 1.0 0.0 2.6 1044 594 A 451 GLU HG3 A 451 GLU HBy 1.0 0.0 2.6 1045 594 A 451 GLU HG3 A 451 GLU HBx 1.0 0.0 2.6 1046 595 A 451 GLU HBy A 451 GLU HG2 1.0 0.0 3.0 1047 595 A 451 GLU HBx A 451 GLU HG2 1.0 0.0 3.0 1048 595 A 451 GLU HG3 A 451 GLU HBy 1.0 0.0 3.0 1049 595 A 451 GLU HG3 A 451 GLU HBx 1.0 0.0 3.0 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 undefined _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 379 CYS SG A 385 CYS SG 1.0 3.6 3.9 2 2 A 379 CYS SG A 392 HIS NE2 1.0 3.4 3.8 3 3 A 379 CYS SG A 398 HIS NE2 1.0 3.4 3.8 4 4 A 385 CYS SG A 392 HIS NE2 1.0 3.4 3.8 5 5 A 385 CYS SG A 398 HIS NE2 1.0 3.4 3.8 6 6 A 392 HIS NE2 A 398 HIS NE2 1.0 3.1 3.5 stop_ save_ save_CNS/XPLOR_distance_constraints_6 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_6 _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 387 ARG HBx B 1 ADN H2 1.0 0.0 4.50 2 1 B 1 ADN H2 A 387 ARG HBy 1.0 0.0 4.50 3 2 A 387 ARG HGx B 1 ADN H2 1.0 0.0 3.00 4 2 B 1 ADN H2 A 387 ARG HGy 1.0 0.0 3.00 5 3 B 1 ADN H2 A 386 TYR HD% 1.0 0.0 3.00 6 4 B 1 ADN H2 A 381 TYR HE% 1.0 0.0 3.00 7 5 B 1 ADN H2 A 381 TYR HD% 1.0 0.0 3.00 8 6 A 385 CYS HA B 1 ADN H2 1.0 0.0 3.00 9 7 B 1 ADN H2 A 386 TYR HE% 1.0 0.0 4.50 10 8 A 381 TYR HBx B 1 ADN H2 1.0 0.0 3.00 11 8 B 1 ADN H2 A 381 TYR HBy 1.0 0.0 3.00 12 9 A 387 ARG HDx B 1 ADN H2 1.0 0.0 4.50 13 9 B 1 ADN H2 A 387 ARG HDy 1.0 0.0 4.50 14 10 A 381 TYR HE% B 1 ADN H8 1.0 0.0 4.50 15 11 A 386 TYR HD% B 1 ADN H8 1.0 0.0 4.50 16 12 A 386 TYR HD% B 1 ADN H1' 1.0 0.0 4.50 17 13 A 387 ARG HDx B 1 ADN H1' 1.0 0.0 4.50 18 13 B 1 ADN H1' A 387 ARG HDy 1.0 0.0 4.50 19 14 A 381 TYR HE% D 1 RIB H4' 1.0 0.0 4.50 20 14 A 381 TYR HE% D 1 RIB H2' 1.0 0.0 4.50 21 15 A 381 TYR HD% D 1 RIB H4' 1.0 0.0 4.50 22 15 A 381 TYR HD% D 1 RIB H2' 1.0 0.0 4.50 23 16 A 386 TYR HD% D 1 RIB H4' 1.0 0.0 4.50 24 16 A 386 TYR HD% D 1 RIB H2' 1.0 0.0 4.50 25 17 A 386 TYR HE% D 1 RIB H4' 1.0 0.0 4.50 26 17 A 386 TYR HE% D 1 RIB H2' 1.0 0.0 4.50 27 18 A 381 TYR HE% D 1 RIB H5'2 1.0 0.0 4.50 28 18 A 381 TYR HE% D 1 RIB H5'1 1.0 0.0 4.50 29 19 A 386 TYR HE% D 1 RIB H1' 1.0 0.0 4.50 30 20 A 386 TYR HD% D 1 RIB H1' 1.0 0.0 4.50 31 21 A 381 TYR HE% D 1 RIB H1' 1.0 0.0 4.50 32 22 B 1 ADN H8 B 1 ADN H1' 1.0 0.0 3.75 33 23 B 1 ADN H8 B 1 ADN H2' 1.0 0.0 3.89 34 24 B 1 ADN H1' B 1 ADN H2' 1.0 0.0 3.75 35 25 B 1 ADN H8 B 1 ADN H3' 1.0 0.0 4.10 36 26 B 1 ADN H1' B 1 ADN H3' 1.0 0.0 4.82 37 27 B 1 ADN H2' B 1 ADN H3' 1.0 0.0 3.22 38 28 B 1 ADN H8 B 1 ADN H4' 1.0 0.0 4.98 39 29 B 1 ADN H1' B 1 ADN H4' 1.0 0.0 3.40 40 30 B 1 ADN H2' B 1 ADN H4' 1.0 0.0 5.08 41 31 B 1 ADN H3' B 1 ADN H4' 1.0 0.0 3.91 42 32 B 1 ADN H8 B 1 ADN H5'x 1.0 0.0 4.82 43 33 B 1 ADN H1' B 1 ADN H5'x 1.0 0.0 5.60 44 34 B 1 ADN H2' B 1 ADN H5'x 1.0 0.0 5.37 45 35 B 1 ADN H3' B 1 ADN H5'x 1.0 0.0 4.60 46 36 B 1 ADN H8 B 1 ADN H5'y 1.0 0.0 4.50 47 37 B 1 ADN H1' B 1 ADN H5'y 1.0 0.0 5.60 48 38 B 1 ADN H2' B 1 ADN H5'y 1.0 0.0 5.37 49 39 B 1 ADN H4' B 1 ADN H5'x 1.0 0.0 3.37 50 40 B 1 ADN H4' B 1 ADN H5'y 1.0 0.0 3.37 51 41 B 1 ADN H3' B 1 ADN H5'y 1.0 0.0 3.79 52 42 D 1 RIB H4' D 1 RIB H3' 1.0 0.0 3.56 53 42 D 1 RIB H2' D 1 RIB H3' 1.0 0.0 3.56 54 43 B 1 ADN H1' D 1 RIB H1' 1.0 0.0 3.95 55 44 B 1 ADN H1' D 1 RIB H4' 1.0 0.0 5.44 56 44 B 1 ADN H1' D 1 RIB H2' 1.0 0.0 5.44 57 45 D 1 RIB H4' B 1 ADN H2' 1.0 0.0 5.09 58 45 D 1 RIB H2' B 1 ADN H2' 1.0 0.0 5.09 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 432 PRO C A 433 GLN N A 433 GLN CA A 433 GLN C 1.0 -85.8 -45.8 PHI 2 2 A 433 GLN N A 433 GLN CA A 433 GLN C A 434 HIS N 1.0 -46.5 -26.5 PSI 3 3 A 433 GLN C A 434 HIS N A 434 HIS CA A 434 HIS C 1.0 -81.6 -41.6 PHI 4 4 A 434 HIS N A 434 HIS CA A 434 HIS C A 435 LYS N 1.0 -51.2 -31.2 PSI 5 5 A 434 HIS C A 435 LYS N A 435 LYS CA A 435 LYS C 1.0 -89.2 -49.2 PHI 6 6 A 435 LYS N A 435 LYS CA A 435 LYS C A 436 ILE N 1.0 -43.3 -16.7 PSI 7 7 A 435 LYS C A 436 ILE N A 436 ILE CA A 436 ILE C 1.0 -89.8 -49.8 PHI 8 8 A 436 ILE N A 436 ILE CA A 436 ILE C A 437 GLU N 1.0 -49.7 -19.5 PSI 9 9 A 436 ILE C A 437 GLU N A 437 GLU CA A 437 GLU C 1.0 -102.6 -62.6 PHI 10 10 A 437 GLU N A 437 GLU CA A 437 GLU C A 438 TYR N 1.0 -48.4 -21.2 PSI 11 11 A 427 CYS N A 427 CYS CA A 427 CYS CB A 427 CYS SG 1.0 120.0 240.0 CHI1 12 12 A 428 TYR N A 428 TYR CA A 428 TYR CB A 428 TYR CG 1.0 0.0 120.0 CHI1 13 13 A 429 ARG N A 429 ARG CA A 429 ARG CB A 429 ARG CG 1.0 0.0 120.0 CHI1 14 14 A 433 GLN N A 433 GLN CA A 433 GLN CB A 433 GLN CG 1.0 0.0 120.0 CHI1 15 15 A 435 LYS N A 435 LYS CA A 435 LYS CB A 435 LYS CG 1.0 -120.0 0.0 CHI1 16 16 A 437 GLU N A 437 GLU CA A 437 GLU CB A 437 GLU CG 1.0 -120.0 0.0 CHI1 17 17 A 443 LEU N A 443 LEU CA A 443 LEU CB A 443 LEU CG 1.0 -120.0 0.0 CHI1 18 18 A 440 HIS N A 440 HIS CA A 440 HIS CB A 440 HIS CG 1.0 -120.0 0.0 CHI1 stop_ save_ save_CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_5 save_