data_nef_c17732_2lex 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 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 72 HIS ND1 4 1 ZN ZN 1 74 HIS NE2 4 1 ZN ZN 1 48 CYS SG 4 1 ZN ZN 1 43 CYS SG 4 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 392 GLY start . false 2 A 393 SER middle . . 3 A 394 SER middle . . 4 A 395 GLY middle . false 5 A 396 SER middle . . 6 A 397 SER middle . . 7 A 398 GLY middle . false 8 A 399 VAL middle . . 9 A 400 GLN middle . . 10 A 401 THR middle . . 11 A 402 THR middle . . 12 A 403 SER middle . . 13 A 404 GLU middle . . 14 A 405 VAL middle . . 15 A 406 ASP middle . . 16 A 407 LEU middle . . 17 A 408 LEU middle . . 18 A 409 ASP middle . . 19 A 410 ASP middle . . 20 A 411 GLY middle . false 21 A 412 TYR middle . . 22 A 413 ARG middle . . 23 A 414 TRP middle . . 24 A 415 ARG middle . . 25 A 416 LYS middle . . 26 A 417 TYR middle . . 27 A 418 GLY middle . false 28 A 419 GLN middle . . 29 A 420 LYS middle . . 30 A 421 VAL middle . . 31 A 422 VAL middle . . 32 A 423 LYS middle . . 33 A 424 GLY middle . false 34 A 425 ASN middle . . 35 A 426 PRO middle . false 36 A 427 TYR middle . . 37 A 428 PRO middle . false 38 A 429 ARG middle . . 39 A 430 SER middle . . 40 A 431 TYR middle . . 41 A 432 TYR middle . . 42 A 433 LYS middle . . 43 A 434 CYS middle -HG . 44 A 435 THR middle . . 45 A 436 THR middle . . 46 A 437 PRO middle . false 47 A 438 GLY middle . false 48 A 439 CYS middle -HG . 49 A 440 GLY middle . false 50 A 441 VAL middle . . 51 A 442 ARG middle . . 52 A 443 LYS middle . . 53 A 444 HIS middle . . 54 A 445 VAL middle . . 55 A 446 GLU middle . . 56 A 447 ARG middle . . 57 A 448 ALA middle . . 58 A 449 ALA middle . . 59 A 450 THR middle . . 60 A 451 ASP middle . . 61 A 452 PRO middle . false 62 A 453 LYS middle . . 63 A 454 ALA middle . . 64 A 455 VAL middle . . 65 A 456 VAL middle . . 66 A 457 THR middle . . 67 A 458 THR middle . . 68 A 459 TYR middle . . 69 A 460 GLU middle . . 70 A 461 GLY middle . false 71 A 462 LYS middle . . 72 A 463 HIS middle -HD1 . 73 A 464 ASN middle . . 74 A 465 HIS middle -HE2 . 75 A 466 ASP middle . . 76 A 467 LEU middle . . 77 A 468 PRO middle . false 78 A 469 ALA end . . 79 B 1 DC start . . 80 B 2 DG middle . . 81 B 3 DC middle . . 82 B 4 DC middle . . 83 B 5 DT middle . . 84 B 6 DT middle . . 85 B 7 DT middle . . 86 B 8 DG middle . . 87 B 9 DA middle . . 88 B 10 DC middle . . 89 B 11 DC middle . . 90 B 12 DA middle . . 91 B 13 DG middle . . 92 B 14 DC middle . . 93 B 15 DG middle . . 94 B 16 DC end . . 95 C 17 DG start . . 96 C 18 DC middle . . 97 C 19 DG middle . . 98 C 20 DC middle . . 99 C 21 DT middle . . 100 C 22 DG middle . . 101 C 23 DG middle . . 102 C 24 DT middle . . 103 C 25 DC middle . . 104 C 26 DA middle . . 105 C 27 DA middle . . 106 C 28 DA middle . . 107 C 29 DG middle . . 108 C 30 DG middle . . 109 C 31 DC middle . . 110 C 32 DG end . . 111 D 1 ZN . . . 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 399 VAL H H 1 8.00 0.01 A 399 VAL HA H 1 4.19 0.01 A 399 VAL HB H 1 2.08 0.01 A 399 VAL HGx% H 1 0.93 0.01 A 399 VAL HGy% H 1 0.93 0.01 A 399 VAL CA C 13 62.3 0.1 A 399 VAL N N 15 119.6 0.1 A 400 GLN H H 1 8.56 0.01 A 400 GLN HA H 1 4.57 0.01 A 400 GLN HBx H 1 2.01 0.01 A 400 GLN HBy H 1 2.13 0.01 A 400 GLN HE2x H 1 6.83 0.01 A 400 GLN HE2y H 1 7.48 0.01 A 400 GLN HGx H 1 2.38 0.01 A 400 GLN HGy H 1 2.38 0.01 A 400 GLN CA C 13 55.6 0.1 A 400 GLN N N 15 124.8 0.1 A 400 GLN NE2 N 15 112.5 0.1 A 401 THR H H 1 8.38 0.01 A 401 THR HA H 1 4.53 0.01 A 401 THR HB H 1 4.24 0.01 A 401 THR HG2% H 1 1.21 0.01 A 401 THR CA C 13 61.6 0.1 A 401 THR N N 15 116.7 0.1 A 402 THR H H 1 8.28 0.01 A 402 THR HA H 1 4.51 0.01 A 402 THR HB H 1 4.25 0.01 A 402 THR HG2% H 1 1.21 0.01 A 402 THR CA C 13 61.7 0.1 A 402 THR N N 15 116.6 0.1 A 403 SER H H 1 8.43 0.01 A 403 SER HA H 1 4.56 0.01 A 403 SER HBx H 1 3.89 0.01 A 403 SER HBy H 1 3.89 0.01 A 403 SER CA C 13 58.3 0.1 A 403 SER N N 15 118.4 0.1 A 404 GLU H H 1 8.55 0.01 A 404 GLU HA H 1 4.34 0.01 A 404 GLU HBx H 1 1.96 0.01 A 404 GLU HBy H 1 2.08 0.01 A 404 GLU HGx H 1 2.27 0.01 A 404 GLU HGy H 1 2.30 0.01 A 404 GLU CA C 13 57.1 0.1 A 404 GLU N N 15 123.3 0.1 A 405 VAL H H 1 8.00 0.01 A 405 VAL HA H 1 4.10 0.01 A 405 VAL HB H 1 2.05 0.01 A 405 VAL HGx% H 1 0.90 0.01 A 405 VAL HGy% H 1 0.90 0.01 A 405 VAL CA C 13 62.3 0.1 A 405 VAL N N 15 119.1 0.1 A 406 ASP H H 1 8.25 0.01 A 406 ASP HA H 1 4.58 0.01 A 406 ASP HB2 H 1 2.58 0.01 A 406 ASP HB3 H 1 2.70 0.01 A 406 ASP CA C 13 54.5 0.1 A 406 ASP N N 15 123.4 0.1 A 407 LEU H H 1 8.02 0.01 A 407 LEU HA H 1 4.24 0.01 A 407 LEU HBx H 1 1.55 0.01 A 407 LEU HBy H 1 1.55 0.01 A 407 LEU HDx% H 1 0.78 0.01 A 407 LEU HDy% H 1 0.81 0.01 A 407 LEU HG H 1 1.54 0.01 A 407 LEU CA C 13 55.0 0.1 A 407 LEU N N 15 122.6 0.1 A 408 LEU H H 1 8.09 0.01 A 408 LEU HA H 1 4.26 0.01 A 408 LEU HBy H 1 1.62 0.01 A 408 LEU HBx H 1 1.52 0.01 A 408 LEU HDx% H 1 0.81 0.01 A 408 LEU HDy% H 1 0.88 0.01 A 408 LEU HG H 1 1.58 0.01 A 408 LEU CA C 13 55.0 0.1 A 408 LEU N N 15 122.6 0.1 A 409 ASP H H 1 8.14 0.01 A 409 ASP HA H 1 4.64 0.01 A 409 ASP HB2 H 1 2.82 0.01 A 409 ASP HB3 H 1 2.68 0.01 A 409 ASP CA C 13 55.1 0.1 A 409 ASP N N 15 122.5 0.1 A 410 ASP H H 1 8.57 0.01 A 410 ASP HA H 1 4.50 0.01 A 410 ASP CA C 13 53.2 0.1 A 411 GLY H H 1 8.52 0.01 A 411 GLY HAy H 1 4.04 0.01 A 411 GLY HAx H 1 3.55 0.01 A 411 GLY CA C 13 45.3 0.1 A 411 GLY N N 15 108.4 0.1 A 412 TYR H H 1 8.16 0.01 A 412 TYR HA H 1 4.35 0.01 A 412 TYR HB2 H 1 2.35 0.01 A 412 TYR HB3 H 1 2.81 0.01 A 412 TYR HDx H 1 6.88 0.01 A 412 TYR HDy H 1 6.88 0.01 A 412 TYR HEx H 1 6.11 0.01 A 412 TYR HEy H 1 6.11 0.01 A 412 TYR CA C 13 58.0 0.1 A 412 TYR N N 15 118.6 0.1 A 413 ARG H H 1 8.75 0.01 A 413 ARG HA H 1 4.78 0.01 A 413 ARG HBx H 1 1.64 0.01 A 413 ARG HBy H 1 1.64 0.01 A 413 ARG HDx H 1 3.17 0.01 A 413 ARG HDy H 1 3.17 0.01 A 413 ARG HE H 1 7.26 0.01 A 413 ARG HGy H 1 1.57 0.01 A 413 ARG HGx H 1 1.51 0.01 A 413 ARG CA C 13 55.1 0.1 A 413 ARG N N 15 121.1 0.1 A 413 ARG NE N 15 85.4 0.1 A 414 TRP H H 1 8.25 0.01 A 414 TRP HA H 1 5.58 0.01 A 414 TRP HB2 H 1 3.36 0.01 A 414 TRP HB3 H 1 2.90 0.01 A 414 TRP HD1 H 1 7.23 0.01 A 414 TRP HE1 H 1 12.53 0.01 A 414 TRP HE3 H 1 7.27 0.01 A 414 TRP HH2 H 1 7.07 0.01 A 414 TRP HZ2 H 1 7.90 0.01 A 414 TRP HZ3 H 1 6.87 0.01 A 414 TRP CA C 13 56.1 0.1 A 414 TRP N N 15 120.6 0.1 A 414 TRP NE1 N 15 136.4 0.1 A 415 ARG H H 1 9.45 0.01 A 415 ARG HA H 1 5.28 0.01 A 415 ARG HBy H 1 1.90 0.01 A 415 ARG HBx H 1 1.83 0.01 A 415 ARG HDy H 1 3.36 0.01 A 415 ARG HDx H 1 3.30 0.01 A 415 ARG HE H 1 7.75 0.01 A 415 ARG HGy H 1 1.89 0.01 A 415 ARG HGx H 1 1.76 0.01 A 415 ARG CA C 13 54.6 0.1 A 415 ARG N N 15 122.9 0.1 A 415 ARG NE N 15 84.9 0.1 A 416 LYS H H 1 11.12 0.01 A 416 LYS HA H 1 4.36 0.01 A 416 LYS HBy H 1 1.79 0.01 A 416 LYS HBx H 1 1.67 0.01 A 416 LYS HDx H 1 1.58 0.01 A 416 LYS HDy H 1 1.58 0.01 A 416 LYS HEx H 1 2.86 0.01 A 416 LYS HEy H 1 2.86 0.01 A 416 LYS HGy H 1 1.22 0.01 A 416 LYS HGx H 1 0.91 0.01 A 416 LYS CA C 13 57.0 0.1 A 416 LYS N N 15 134.7 0.1 A 417 TYR H H 1 8.90 0.01 A 417 TYR HA H 1 5.26 0.01 A 417 TYR HBx H 1 2.61 0.01 A 417 TYR HBy H 1 3.64 0.01 A 417 TYR HDx H 1 6.95 0.01 A 417 TYR HDy H 1 6.95 0.01 A 417 TYR HEx H 1 6.70 0.01 A 417 TYR HEy H 1 6.70 0.01 A 417 TYR CA C 13 56.0 0.1 A 417 TYR N N 15 118.6 0.1 A 418 GLY H H 1 6.99 0.01 A 418 GLY CA C 13 45.9 0.1 A 418 GLY N N 15 105.3 0.1 A 419 GLN H H 1 9.00 0.01 A 419 GLN HA H 1 5.48 0.01 A 419 GLN HBx H 1 1.86 0.01 A 419 GLN HBy H 1 1.86 0.01 A 419 GLN HE2y H 1 7.74 0.01 A 419 GLN HE2x H 1 7.07 0.01 A 419 GLN HGy H 1 2.10 0.01 A 419 GLN HGx H 1 2.01 0.01 A 419 GLN CA C 13 56.6 0.1 A 419 GLN N N 15 122.6 0.1 A 419 GLN NE2 N 15 114.4 0.1 A 420 LYS H H 1 9.14 0.01 A 420 LYS HA H 1 4.90 0.01 A 420 LYS HBx H 1 1.81 0.01 A 420 LYS HBy H 1 1.81 0.01 A 420 LYS HDy H 1 1.70 0.01 A 420 LYS HDx H 1 1.65 0.01 A 420 LYS HEx H 1 2.86 0.01 A 420 LYS HEy H 1 2.86 0.01 A 420 LYS HGx H 1 1.34 0.01 A 420 LYS HGy H 1 1.34 0.01 A 420 LYS CA C 13 52.8 0.1 A 420 LYS N N 15 123.0 0.1 A 421 VAL H H 1 8.55 0.01 A 421 VAL HA H 1 4.28 0.01 A 421 VAL HB H 1 1.97 0.01 A 421 VAL HG1% H 1 0.94 0.01 A 421 VAL HG2% H 1 0.88 0.01 A 421 VAL CA C 13 63.1 0.1 A 421 VAL N N 15 122.8 0.1 A 422 VAL H H 1 9.50 0.01 A 422 VAL HA H 1 4.57 0.01 A 422 VAL HB H 1 2.26 0.01 A 422 VAL HG1% H 1 0.99 0.01 A 422 VAL HG2% H 1 0.88 0.01 A 422 VAL CA C 13 60.2 0.1 A 422 VAL N N 15 128.6 0.1 A 423 LYS H H 1 8.88 0.01 A 423 LYS HA H 1 3.94 0.01 A 423 LYS HBy H 1 1.85 0.01 A 423 LYS HBx H 1 1.82 0.01 A 423 LYS HDy H 1 1.75 0.01 A 423 LYS HDx H 1 1.72 0.01 A 423 LYS HEx H 1 3.00 0.01 A 423 LYS HEy H 1 3.00 0.01 A 423 LYS HGy H 1 1.60 0.01 A 423 LYS HGx H 1 1.45 0.01 A 423 LYS CA C 13 58.3 0.1 A 423 LYS N N 15 123.8 0.1 A 424 GLY H H 1 8.60 0.01 A 424 GLY HAy H 1 4.18 0.01 A 424 GLY HAx H 1 3.65 0.01 A 424 GLY CA C 13 45.3 0.1 A 424 GLY N N 15 110.8 0.1 A 425 ASN H H 1 7.60 0.01 A 425 ASN HA H 1 5.14 0.01 A 425 ASN HB2 H 1 2.69 0.01 A 425 ASN HB3 H 1 3.16 0.01 A 425 ASN HD2y H 1 7.64 0.01 A 425 ASN HD2x H 1 7.57 0.01 A 425 ASN CA C 13 50.1 0.1 A 425 ASN N N 15 119.8 0.1 A 425 ASN ND2 N 15 110.6 0.1 A 426 PRO HA H 1 4.30 0.01 A 426 PRO HBx H 1 1.28 0.01 A 426 PRO HBy H 1 2.04 0.01 A 426 PRO HDy H 1 3.92 0.01 A 426 PRO HDx H 1 3.65 0.01 A 426 PRO HGy H 1 1.79 0.01 A 426 PRO HGx H 1 1.32 0.01 A 426 PRO CA C 13 63.4 0.1 A 427 TYR H H 1 8.12 0.01 A 427 TYR HA H 1 4.89 0.01 A 427 TYR HBy H 1 3.29 0.01 A 427 TYR HBx H 1 2.90 0.01 A 427 TYR HDx H 1 7.20 0.01 A 427 TYR HDy H 1 7.20 0.01 A 427 TYR HEx H 1 6.81 0.01 A 427 TYR HEy H 1 6.81 0.01 A 427 TYR CA C 13 55.1 0.1 A 427 TYR N N 15 121.1 0.1 A 428 PRO HA H 1 4.42 0.01 A 428 PRO HBx H 1 1.64 0.01 A 428 PRO HBy H 1 2.11 0.01 A 428 PRO HDy H 1 3.97 0.01 A 428 PRO HDx H 1 3.79 0.01 A 428 PRO HGx H 1 2.00 0.01 A 428 PRO HGy H 1 2.00 0.01 A 428 PRO CA C 13 63.3 0.1 A 429 ARG H H 1 9.28 0.01 A 429 ARG HA H 1 4.68 0.01 A 429 ARG HBy H 1 1.79 0.01 A 429 ARG HBx H 1 1.71 0.01 A 429 ARG HDx H 1 2.21 0.01 A 429 ARG HDy H 1 2.21 0.01 A 429 ARG HGy H 1 1.24 0.01 A 429 ARG HGx H 1 1.00 0.01 A 429 ARG CA C 13 55.0 0.1 A 429 ARG N N 15 124.9 0.1 A 429 ARG NE N 15 84.2 0.1 A 430 SER H H 1 9.10 0.01 A 430 SER HA H 1 4.96 0.01 A 430 SER HB2 H 1 3.53 0.01 A 430 SER HB3 H 1 3.93 0.01 A 430 SER CA C 13 59.3 0.1 A 430 SER N N 15 122.2 0.1 A 431 TYR H H 1 7.59 0.01 A 431 TYR HA H 1 4.66 0.01 A 431 TYR HB2 H 1 1.93 0.01 A 431 TYR HB3 H 1 1.40 0.01 A 431 TYR HDx H 1 6.64 0.01 A 431 TYR HDy H 1 6.64 0.01 A 431 TYR HEx H 1 6.43 0.01 A 431 TYR HEy H 1 6.43 0.01 A 431 TYR CA C 13 57.4 0.1 A 431 TYR N N 15 122.1 0.1 A 432 TYR H H 1 9.37 0.01 A 432 TYR HA H 1 5.72 0.01 A 432 TYR HB2 H 1 3.12 0.01 A 432 TYR HB3 H 1 2.69 0.01 A 432 TYR HDx H 1 6.77 0.01 A 432 TYR HDy H 1 6.77 0.01 A 432 TYR HEx H 1 6.77 0.01 A 432 TYR HEy H 1 6.77 0.01 A 432 TYR CA C 13 57.1 0.1 A 432 TYR N N 15 120.3 0.1 A 433 LYS H H 1 9.96 0.01 A 433 LYS HA H 1 5.83 0.01 A 433 LYS HBy H 1 1.97 0.01 A 433 LYS HBx H 1 1.53 0.01 A 433 LYS HDy H 1 1.57 0.01 A 433 LYS HDx H 1 1.53 0.01 A 433 LYS HEx H 1 2.70 0.01 A 433 LYS HEy H 1 2.70 0.01 A 433 LYS HGy H 1 2.10 0.01 A 433 LYS HGx H 1 1.80 0.01 A 433 LYS CA C 13 54.2 0.1 A 433 LYS N N 15 121.5 0.1 A 434 CYS H H 1 8.44 0.01 A 434 CYS HA H 1 4.20 0.01 A 434 CYS HB2 H 1 2.84 0.01 A 434 CYS HB3 H 1 2.53 0.01 A 434 CYS CA C 13 60.3 0.1 A 434 CYS N N 15 128.7 0.1 A 435 THR H H 1 8.20 0.01 A 435 THR HA H 1 4.27 0.01 A 435 THR HB H 1 4.57 0.01 A 435 THR HG2% H 1 1.25 0.01 A 435 THR CA C 13 62.8 0.1 A 435 THR N N 15 118.0 0.1 A 436 THR H H 1 8.88 0.01 A 436 THR HA H 1 4.23 0.01 A 436 THR HB H 1 3.55 0.01 A 436 THR HG2% H 1 0.70 0.01 A 436 THR CA C 13 63.3 0.1 A 436 THR N N 15 127.5 0.1 A 437 PRO HA H 1 4.27 0.01 A 437 PRO HBx H 1 1.89 0.01 A 437 PRO HBy H 1 2.33 0.01 A 437 PRO HDy H 1 4.23 0.01 A 437 PRO HDx H 1 3.63 0.01 A 437 PRO HGy H 1 2.17 0.01 A 437 PRO HGx H 1 2.00 0.01 A 438 GLY H H 1 8.87 0.01 A 438 GLY HAy H 1 4.23 0.01 A 438 GLY HAx H 1 3.71 0.01 A 438 GLY CA C 13 45.4 0.1 A 438 GLY N N 15 112.8 0.1 A 439 CYS H H 1 7.87 0.01 A 439 CYS HA H 1 4.60 0.01 A 439 CYS HB2 H 1 3.12 0.01 A 439 CYS HB3 H 1 2.77 0.01 A 439 CYS CA C 13 60.7 0.1 A 439 CYS N N 15 123.9 0.1 A 440 GLY H H 1 9.07 0.01 A 440 GLY HAy H 1 4.23 0.01 A 440 GLY HAx H 1 3.90 0.01 A 440 GLY CA C 13 45.4 0.1 A 440 GLY N N 15 113.3 0.1 A 441 VAL H H 1 8.23 0.01 A 441 VAL HA H 1 4.11 0.01 A 441 VAL HB H 1 1.43 0.01 A 441 VAL HG1% H 1 0.82 0.01 A 441 VAL HG2% H 1 0.09 0.01 A 441 VAL CA C 13 65.5 0.1 A 441 VAL N N 15 123.4 0.1 A 442 ARG H H 1 8.34 0.01 A 442 ARG HA H 1 5.65 0.01 A 442 ARG HB2 H 1 2.50 0.01 A 442 ARG HB3 H 1 1.85 0.01 A 442 ARG HDy H 1 3.49 0.01 A 442 ARG HDx H 1 3.42 0.01 A 442 ARG HE H 1 7.12 0.01 A 442 ARG HGy H 1 2.03 0.01 A 442 ARG HGx H 1 1.91 0.01 A 442 ARG CA C 13 54.3 0.1 A 442 ARG N N 15 126.1 0.1 A 442 ARG NE N 15 86.4 0.1 A 443 LYS H H 1 9.34 0.01 A 443 LYS HA H 1 5.11 0.01 A 443 LYS HBy H 1 0.92 0.01 A 443 LYS HBx H 1 0.72 0.01 A 443 LYS HDy H 1 -0.07 0.01 A 443 LYS HDx H 1 -0.18 0.01 A 443 LYS HEy H 1 1.51 0.01 A 443 LYS HEx H 1 0.57 0.01 A 443 LYS HGy H 1 0.27 0.01 A 443 LYS HGx H 1 0.20 0.01 A 443 LYS CA C 13 54.0 0.1 A 443 LYS N N 15 120.7 0.1 A 444 HIS H H 1 8.86 0.01 A 444 HIS HA H 1 5.70 0.01 A 444 HIS HBx H 1 2.61 0.01 A 444 HIS HBy H 1 2.61 0.01 A 444 HIS HD2 H 1 6.70 0.01 A 444 HIS CA C 13 51.0 0.1 A 444 HIS N N 15 122.0 0.1 A 445 VAL H H 1 8.56 0.01 A 445 VAL HA H 1 4.81 0.01 A 445 VAL HB H 1 1.84 0.01 A 445 VAL HG1% H 1 0.79 0.01 A 445 VAL HG2% H 1 0.66 0.01 A 445 VAL CA C 13 61.6 0.1 A 445 VAL N N 15 121.2 0.1 A 446 GLU H H 1 8.68 0.01 A 446 GLU HA H 1 4.91 0.01 A 446 GLU HBy H 1 2.06 0.01 A 446 GLU HBx H 1 1.98 0.01 A 446 GLU HGx H 1 2.13 0.01 A 446 GLU HGy H 1 2.13 0.01 A 446 GLU CA C 13 54.4 0.1 A 446 GLU N N 15 125.1 0.1 A 447 ARG H H 1 8.66 0.01 A 447 ARG HA H 1 4.69 0.01 A 447 ARG HBy H 1 1.46 0.01 A 447 ARG HBx H 1 1.39 0.01 A 447 ARG HDy H 1 2.83 0.01 A 447 ARG HDx H 1 2.64 0.01 A 447 ARG HE H 1 7.01 0.01 A 447 ARG HGy H 1 1.53 0.01 A 447 ARG HGx H 1 1.41 0.01 A 447 ARG CA C 13 55.4 0.1 A 447 ARG N N 15 122.4 0.1 A 447 ARG NE N 15 85.0 0.1 A 448 ALA H H 1 8.10 0.01 A 448 ALA HA H 1 4.22 0.01 A 448 ALA HB% H 1 1.46 0.01 A 448 ALA CA C 13 52.3 0.1 A 448 ALA N N 15 125.0 0.1 A 449 ALA H H 1 8.55 0.01 A 449 ALA HA H 1 4.22 0.01 A 449 ALA HB% H 1 1.56 0.01 A 449 ALA CA C 13 55.2 0.1 A 449 ALA N N 15 123.7 0.1 A 450 THR H H 1 7.60 0.01 A 450 THR HA H 1 4.34 0.01 A 450 THR HB H 1 4.49 0.01 A 450 THR HG2% H 1 1.23 0.01 A 450 THR CA C 13 61.3 0.1 A 450 THR N N 15 102.5 0.1 A 451 ASP H H 1 7.06 0.01 A 451 ASP HA H 1 4.91 0.01 A 451 ASP HBy H 1 2.71 0.01 A 451 ASP HBx H 1 2.65 0.01 A 451 ASP CA C 13 52.0 0.1 A 451 ASP N N 15 118.2 0.1 A 452 PRO HA H 1 4.30 0.01 A 452 PRO HBx H 1 1.81 0.01 A 452 PRO HBy H 1 1.81 0.01 A 452 PRO HDy H 1 3.92 0.01 A 452 PRO HDx H 1 3.66 0.01 A 452 PRO HGy H 1 2.04 0.01 A 452 PRO HGx H 1 1.93 0.01 A 452 PRO CA C 13 64.0 0.1 A 453 LYS H H 1 7.88 0.01 A 453 LYS HA H 1 4.16 0.01 A 453 LYS HBy H 1 1.86 0.01 A 453 LYS HBx H 1 1.40 0.01 A 453 LYS HDx H 1 1.68 0.01 A 453 LYS HDy H 1 1.68 0.01 A 453 LYS HEx H 1 2.99 0.01 A 453 LYS HEy H 1 2.99 0.01 A 453 LYS HGx H 1 1.38 0.01 A 453 LYS HGy H 1 1.38 0.01 A 453 LYS CA C 13 56.7 0.1 A 453 LYS N N 15 117.0 0.1 A 454 ALA H H 1 8.06 0.01 A 454 ALA HA H 1 4.57 0.01 A 454 ALA HB% H 1 1.34 0.01 A 454 ALA CA C 13 51.2 0.1 A 454 ALA N N 15 124.7 0.1 A 455 VAL H H 1 8.19 0.01 A 455 VAL HA H 1 4.37 0.01 A 455 VAL HB H 1 1.81 0.01 A 455 VAL HG1% H 1 0.71 0.01 A 455 VAL HG2% H 1 0.75 0.01 A 455 VAL CA C 13 61.4 0.1 A 455 VAL N N 15 119.7 0.1 A 456 VAL H H 1 9.22 0.01 A 456 VAL HA H 1 4.31 0.01 A 456 VAL HB H 1 1.96 0.01 A 456 VAL HG1% H 1 0.88 0.01 A 456 VAL HG2% H 1 0.85 0.01 A 456 VAL CA C 13 61.9 0.1 A 456 VAL N N 15 129.4 0.1 A 457 THR H H 1 8.56 0.01 A 457 THR HA H 1 5.16 0.01 A 457 THR HB H 1 3.74 0.01 A 457 THR HG2% H 1 0.57 0.01 A 457 THR CA C 13 61.1 0.1 A 457 THR N N 15 125.0 0.1 A 458 THR H H 1 8.56 0.01 A 458 THR HA H 1 4.55 0.01 A 458 THR HB H 1 3.67 0.01 A 458 THR HG2% H 1 1.07 0.01 A 458 THR CA C 13 60.6 0.1 A 458 THR N N 15 120.6 0.1 A 459 TYR H H 1 8.87 0.01 A 459 TYR HA H 1 4.94 0.01 A 459 TYR HB2 H 1 2.84 0.01 A 459 TYR HB3 H 1 2.81 0.01 A 459 TYR HDx H 1 6.97 0.01 A 459 TYR HDy H 1 6.97 0.01 A 459 TYR HEx H 1 6.77 0.01 A 459 TYR HEy H 1 6.77 0.01 A 459 TYR CA C 13 57.8 0.1 A 459 TYR N N 15 122.5 0.1 A 460 GLU H H 1 9.15 0.01 A 460 GLU HA H 1 4.63 0.01 A 460 GLU HB2 H 1 2.01 0.01 A 460 GLU HB3 H 1 1.86 0.01 A 460 GLU HGx H 1 2.11 0.01 A 460 GLU HGy H 1 2.11 0.01 A 460 GLU CA C 13 55.6 0.1 A 460 GLU N N 15 123.2 0.1 A 461 GLY H H 1 8.33 0.01 A 461 GLY HA2 H 1 4.39 0.01 A 461 GLY HA3 H 1 3.73 0.01 A 461 GLY CA C 13 43.9 0.1 A 461 GLY N N 15 112.7 0.1 A 462 LYS H H 1 8.05 0.01 A 462 LYS HA H 1 4.49 0.01 A 462 LYS HB2 H 1 1.70 0.01 A 462 LYS HB3 H 1 1.59 0.01 A 462 LYS HDx H 1 1.67 0.01 A 462 LYS HDy H 1 1.67 0.01 A 462 LYS HEx H 1 3.00 0.01 A 462 LYS HEy H 1 3.00 0.01 A 462 LYS HGy H 1 1.42 0.01 A 462 LYS HGx H 1 1.34 0.01 A 462 LYS CA C 13 54.0 0.1 A 462 LYS N N 15 118.3 0.1 A 463 HIS H H 1 8.47 0.01 A 463 HIS HA H 1 4.60 0.01 A 463 HIS HB2 H 1 2.04 0.01 A 463 HIS HB3 H 1 2.76 0.01 A 463 HIS HD2 H 1 6.89 0.01 A 463 HIS HE1 H 1 6.85 0.01 A 463 HIS CA C 13 57.2 0.1 A 463 HIS N N 15 123.9 0.1 A 464 ASN H H 1 8.36 0.01 A 464 ASN HA H 1 4.95 0.01 A 464 ASN HBy H 1 3.31 0.01 A 464 ASN HBx H 1 2.92 0.01 A 464 ASN HD2y H 1 7.51 0.01 A 464 ASN HD2x H 1 6.62 0.01 A 464 ASN CA C 13 51.5 0.1 A 464 ASN N N 15 124.4 0.1 A 464 ASN ND2 N 15 108.9 0.1 A 465 HIS H H 1 6.83 0.01 A 465 HIS HA H 1 4.87 0.01 A 465 HIS HB2 H 1 3.32 0.01 A 465 HIS HB3 H 1 3.27 0.01 A 465 HIS HD2 H 1 7.65 0.01 A 465 HIS HE1 H 1 7.65 0.01 A 465 HIS CA C 13 52.9 0.1 A 465 HIS N N 15 112.1 0.1 A 466 ASP H H 1 8.78 0.01 A 466 ASP HA H 1 4.62 0.01 A 466 ASP HB2 H 1 2.82 0.01 A 466 ASP HB3 H 1 2.59 0.01 A 466 ASP CA C 13 54.0 0.1 A 466 ASP N N 15 120.3 0.1 A 467 LEU H H 1 8.53 0.01 A 467 LEU HA H 1 4.04 0.01 A 467 LEU HB2 H 1 1.38 0.01 A 467 LEU HB3 H 1 1.44 0.01 A 467 LEU HDx% H 1 0.47 0.01 A 467 LEU HDy% H 1 0.64 0.01 A 467 LEU HG H 1 1.36 0.01 A 467 LEU CA C 13 54.1 0.1 A 467 LEU N N 15 124.2 0.1 A 468 PRO HA H 1 4.35 0.01 A 468 PRO HBx H 1 1.88 0.01 A 468 PRO HBy H 1 2.18 0.01 A 468 PRO HDy H 1 3.63 0.01 A 468 PRO HDx H 1 3.54 0.01 A 468 PRO HGx H 1 1.97 0.01 A 468 PRO HGy H 1 1.97 0.01 A 468 PRO CA C 13 63.3 0.1 A 469 ALA H H 1 7.84 0.01 A 469 ALA HA H 1 4.09 0.01 A 469 ALA HB% H 1 1.30 0.01 A 469 ALA CA C 13 53.7 0.1 A 469 ALA N N 15 130.3 0.1 B 1 DC H1' H 1 5.79 0.01 B 1 DC H2' H 1 1.97 0.01 B 1 DC H2'' H 1 2.43 0.01 B 1 DC H5 H 1 5.90 0.01 B 1 DC H6 H 1 7.64 0.01 B 2 DG H1 H 1 13.08 0.01 B 2 DG H1' H 1 5.94 0.01 B 2 DG H2' H 1 2.71 0.01 B 2 DG H2'' H 1 2.76 0.01 B 2 DG H8 H 1 7.97 0.01 B 3 DC H1' H 1 5.93 0.01 B 3 DC H2' H 1 2.43 0.01 B 3 DC H2'' H 1 2.51 0.01 B 3 DC H5 H 1 5.41 0.01 B 3 DC H6 H 1 7.45 0.01 B 4 DC H1' H 1 5.81 0.01 B 4 DC H2' H 1 2.27 0.01 B 4 DC H2'' H 1 2.68 0.01 B 4 DC H3' H 1 4.85 0.01 B 4 DC H41 H 1 8.17 0.01 B 4 DC H42 H 1 6.86 0.01 B 4 DC H5 H 1 5.60 0.01 B 4 DC H6 H 1 7.60 0.01 B 5 DT H1' H 1 6.21 0.01 B 5 DT H2' H 1 1.93 0.01 B 5 DT H2'' H 1 2.53 0.01 B 5 DT H3 H 1 13.88 0.01 B 5 DT H6 H 1 7.78 0.01 B 5 DT N3 N 15 159.3 0.1 B 6 DT H1' H 1 6.09 0.01 B 6 DT H2' H 1 2.09 0.01 B 6 DT H2'' H 1 2.55 0.01 B 6 DT H3 H 1 13.75 0.01 B 6 DT H6 H 1 7.26 0.01 B 6 DT N3 N 15 159.1 0.1 B 7 DT H1' H 1 5.48 0.01 B 7 DT H2' H 1 1.80 0.01 B 7 DT H2'' H 1 2.14 0.01 B 7 DT H3 H 1 13.72 0.01 B 7 DT H6 H 1 7.11 0.01 B 7 DT N3 N 15 158.9 0.1 B 8 DG H1 H 1 12.57 0.01 B 8 DG H1' H 1 5.70 0.01 B 8 DG H2' H 1 2.74 0.01 B 8 DG H2'' H 1 2.88 0.01 B 8 DG H8 H 1 7.94 0.01 B 9 DA H1' H 1 6.06 0.01 B 9 DA H2' H 1 2.63 0.01 B 9 DA H2'' H 1 2.76 0.01 B 9 DA H8 H 1 8.15 0.01 B 10 DC H1' H 1 5.93 0.01 B 10 DC H2' H 1 1.99 0.01 B 10 DC H2'' H 1 2.40 0.01 B 10 DC H41 H 1 7.82 0.01 B 10 DC H42 H 1 6.23 0.01 B 10 DC H5 H 1 5.13 0.01 B 10 DC H6 H 1 7.33 0.01 B 11 DC H1' H 1 5.30 0.01 B 11 DC H2' H 1 1.85 0.01 B 11 DC H2'' H 1 2.22 0.01 B 11 DC H41 H 1 8.16 0.01 B 11 DC H42 H 1 6.49 0.01 B 11 DC H5 H 1 5.42 0.01 B 11 DC H6 H 1 7.33 0.01 B 12 DA H1' H 1 5.91 0.01 B 12 DA H2' H 1 2.75 0.01 B 12 DA H2'' H 1 2.87 0.01 B 12 DA H8 H 1 8.17 0.01 B 13 DG H1 H 1 12.79 0.01 B 13 DG H1' H 1 5.69 0.01 B 13 DG H2' H 1 2.51 0.01 B 13 DG H2'' H 1 2.61 0.01 B 13 DG H8 H 1 7.69 0.01 B 14 DC H1' H 1 5.68 0.01 B 14 DC H2' H 1 1.88 0.01 B 14 DC H2'' H 1 2.33 0.01 B 14 DC H41 H 1 8.18 0.01 B 14 DC H42 H 1 6.30 0.01 B 14 DC H5 H 1 5.30 0.01 B 14 DC H6 H 1 7.23 0.01 B 15 DG H1 H 1 13.08 0.01 B 15 DG H1' H 1 5.93 0.01 B 15 DG H2' H 1 2.59 0.01 B 15 DG H2'' H 1 2.71 0.01 B 15 DG H8 H 1 7.87 0.01 B 16 DC H1' H 1 6.17 0.01 B 16 DC H2' H 1 2.15 0.01 B 16 DC H2'' H 1 2.19 0.01 B 16 DC H5 H 1 5.48 0.01 B 16 DC H6 H 1 7.43 0.01 C 17 DG H1 H 1 12.95 0.01 C 17 DG H1' H 1 5.92 0.01 C 17 DG H2' H 1 2.64 0.01 C 17 DG H2'' H 1 2.73 0.01 C 17 DG H8 H 1 7.90 0.01 C 18 DC H1' H 1 5.97 0.01 C 18 DC H2' H 1 1.90 0.01 C 18 DC H2'' H 1 2.44 0.01 C 18 DC H3' H 1 4.83 0.01 C 18 DC H5 H 1 5.31 0.01 C 18 DC H6 H 1 7.37 0.01 C 21 DT H1' H 1 5.58 0.01 C 21 DT H2' H 1 1.91 0.01 C 21 DT H2'' H 1 2.29 0.01 C 21 DT H3 H 1 13.99 0.01 C 21 DT H3' H 1 4.82 0.01 C 21 DT H6 H 1 7.18 0.01 C 21 DT N3 N 15 159.1 0.1 C 22 DG H1 H 1 12.69 0.01 C 22 DG H1' H 1 5.81 0.01 C 22 DG H2' H 1 2.66 0.01 C 22 DG H2'' H 1 2.66 0.01 C 22 DG H8 H 1 8.12 0.01 C 23 DG H1' H 1 5.83 0.01 C 23 DG H2' H 1 1.89 0.01 C 23 DG H2'' H 1 2.42 0.01 C 23 DG H8 H 1 6.98 0.01 C 24 DT H1' H 1 5.80 0.01 C 24 DT H2' H 1 1.66 0.01 C 24 DT H2'' H 1 2.51 0.01 C 24 DT H3 H 1 14.13 0.01 C 24 DT H3' H 1 4.60 0.01 C 24 DT H4' H 1 4.08 0.01 C 24 DT H5' H 1 4.09 0.01 C 24 DT H5'' H 1 4.09 0.01 C 24 DT H6 H 1 6.49 0.01 C 24 DT N3 N 15 160.5 0.1 C 25 DC H1' H 1 5.83 0.01 C 25 DC H2' H 1 1.50 0.01 C 25 DC H2'' H 1 2.24 0.01 C 25 DC H41 H 1 8.72 0.01 C 25 DC H42 H 1 7.67 0.01 C 25 DC H5 H 1 5.98 0.01 C 25 DC H6 H 1 7.23 0.01 C 26 DA H1' H 1 5.26 0.01 C 26 DA H2 H 1 7.08 0.01 C 26 DA H2' H 1 2.79 0.01 C 26 DA H2'' H 1 2.71 0.01 C 26 DA H8 H 1 8.34 0.01 C 27 DA H1' H 1 5.99 0.01 C 27 DA H2 H 1 7.15 0.01 C 27 DA H2' H 1 2.70 0.01 C 27 DA H2'' H 1 2.92 0.01 C 27 DA H3' H 1 5.07 0.01 C 27 DA H8 H 1 8.20 0.01 C 28 DA H1' H 1 5.90 0.01 C 28 DA H2 H 1 7.43 0.01 C 28 DA H2' H 1 2.48 0.01 C 28 DA H2'' H 1 2.82 0.01 C 28 DA H8 H 1 7.88 0.01 C 29 DG H1 H 1 12.95 0.01 C 29 DG H1' H 1 5.52 0.01 C 29 DG H2' H 1 2.43 0.01 C 29 DG H2'' H 1 2.58 0.01 C 29 DG H8 H 1 7.46 0.01 C 30 DG H1 H 1 12.87 0.01 C 30 DG H1' H 1 5.87 0.01 C 30 DG H2' H 1 2.42 0.01 C 30 DG H2'' H 1 2.65 0.01 C 30 DG H8 H 1 7.57 0.01 C 31 DC H1' H 1 5.77 0.01 C 31 DC H2' H 1 1.93 0.01 C 31 DC H2'' H 1 2.34 0.01 C 31 DC H3' H 1 4.82 0.01 C 31 DC H5 H 1 5.28 0.01 C 31 DC H6 H 1 7.28 0.01 C 32 DG H1' H 1 6.18 0.01 C 32 DG H2' H 1 2.38 0.01 C 32 DG H2'' H 1 2.61 0.01 C 32 DG H3' H 1 4.68 0.01 C 32 DG H4' H 1 4.19 0.01 C 32 DG H5' H 1 4.08 0.01 C 32 DG H5'' H 1 4.08 0.01 C 32 DG H8 H 1 7.92 0.01 D 17 DG H1' H 1 5.96 0.01 D 17 DG H2' H 1 2.59 0.01 D 17 DG H2'' H 1 2.76 0.01 D 17 DG H8 H 1 7.94 0.01 D 18 DC H1' H 1 5.74 0.01 D 18 DC H2' H 1 2.11 0.01 D 18 DC H2'' H 1 2.45 0.01 D 18 DC H5 H 1 5.39 0.01 D 18 DC H6 H 1 7.41 0.01 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 B 3 DC H1' B 3 DC H6 1.0 2.0 4.5 2 2 B 3 DC H2' B 3 DC H5 1.0 2.0 4.5 3 3 B 3 DC H6 B 3 DC H2' 1.0 1.5 2.8 4 4 B 3 DC H6 B 3 DC H2'' 1.0 1.5 3.5 5 5 B 3 DC H6 B 3 DC H3' 1.0 2.0 4.5 6 6 B 3 DC H1' B 4 DC H5 1.0 2.5 6.0 7 7 B 3 DC H1' B 4 DC H6 1.0 2.0 4.5 8 8 B 3 DC H2' B 4 DC H5 1.0 2.0 4.5 9 9 B 3 DC H2' B 4 DC H6 1.0 2.0 4.5 10 10 B 3 DC H2'' B 4 DC H5 1.0 2.0 4.5 11 11 B 3 DC H2'' B 4 DC H6 1.0 2.0 4.5 12 12 B 3 DC H3' B 4 DC H5 1.0 2.5 6.0 13 13 B 3 DC H3' B 4 DC H6 1.0 2.5 6.0 14 14 B 3 DC H5 B 4 DC H5 1.0 2.5 6.0 15 15 B 3 DC H6 B 4 DC H5 1.0 2.5 6.0 16 16 B 3 DC H6 B 4 DC H6 1.0 2.5 6.0 17 17 B 3 DC H1' C 30 DG H1 1.0 2.5 6.0 18 18 B 3 DC H5 C 30 DG H1 1.0 2.5 6.0 19 19 C 30 DG H1 B 3 DC H4x 1.0 1.5 3.5 20 20 C 30 DG H1 B 3 DC H4y 1.0 2.0 4.5 21 21 B 4 DC H6 B 4 DC H1' 1.0 2.0 4.5 22 22 B 4 DC H5 B 4 DC H2' 1.0 2.5 6.0 23 23 B 4 DC H6 B 4 DC H2' 1.0 2.0 4.5 24 24 B 4 DC H6 B 4 DC H2'' 1.0 2.0 4.5 25 25 B 4 DC H6 B 4 DC H3' 1.0 2.0 4.5 26 26 B 4 DC H1' B 5 DT H6 1.0 2.5 6.0 27 27 B 4 DC H1' B 5 DT H71 1.0 2.0 4.5 28 28 B 4 DC H2' B 5 DT H6 1.0 2.0 4.5 29 29 B 4 DC H2' B 5 DT H71 1.0 1.5 3.5 30 30 B 4 DC H2'' B 5 DT H6 1.0 2.0 4.5 31 31 B 4 DC H2'' B 5 DT H71 1.0 2.0 4.5 32 32 B 4 DC H3' B 5 DT H6 1.0 2.5 6.0 33 33 B 4 DC H3' B 5 DT H71 1.0 1.5 3.5 34 34 B 4 DC H5 B 5 DT H71 1.0 2.0 4.5 35 35 B 4 DC H6 B 5 DT H6 1.0 2.5 6.0 36 36 B 4 DC H6 B 5 DT H71 1.0 2.0 4.5 37 37 B 4 DC H5 C 29 DG H1 1.0 2.5 6.0 38 38 C 29 DG H1 B 4 DC H41 1.0 1.5 3.5 39 39 C 29 DG H1 B 4 DC H42 1.0 2.0 4.5 40 40 B 4 DC H2' A 415 ARG HBx 1.0 1.5 3.5 41 40 B 4 DC H2' A 415 ARG HGy 1.0 1.5 3.5 42 40 B 4 DC H2' A 415 ARG HGx 1.0 1.5 3.5 43 40 B 4 DC H2' A 415 ARG HBy 1.0 1.5 3.5 44 41 B 4 DC H2'' A 415 ARG HBx 1.0 2.5 6.0 45 41 B 4 DC H2'' A 415 ARG HBy 1.0 2.5 6.0 46 42 B 4 DC H2'' A 415 ARG HGy 1.0 2.0 4.5 47 42 B 4 DC H2'' A 415 ARG HGx 1.0 2.0 4.5 48 43 B 4 DC H3' A 415 ARG HA 1.0 2.0 4.5 49 44 B 4 DC H3' A 415 ARG HBx 1.0 2.0 4.5 50 44 B 4 DC H3' A 415 ARG HGy 1.0 2.0 4.5 51 44 B 4 DC H3' A 415 ARG HGx 1.0 2.0 4.5 52 44 B 4 DC H3' A 415 ARG HBy 1.0 2.0 4.5 53 45 B 4 DC H6 A 415 ARG HGy 1.0 2.5 6.0 54 45 B 4 DC H6 A 415 ARG HGx 1.0 2.5 6.0 55 46 B 5 DT H6 B 5 DT H1' 1.0 2.0 4.5 56 47 B 5 DT H6 B 5 DT H2' 1.0 1.5 3.5 57 48 B 5 DT H6 B 5 DT H2'' 1.0 2.0 4.5 58 49 B 5 DT H6 B 5 DT H3' 1.0 2.5 6.0 59 50 B 5 DT H6 B 5 DT H5' 1.0 2.5 6.0 60 50 B 5 DT H6 B 5 DT H5'' 1.0 2.5 6.0 61 51 B 5 DT H1' B 6 DT H6 1.0 2.5 6.0 62 52 B 5 DT H1' B 6 DT H71 1.0 2.0 4.5 63 53 B 5 DT H2' B 6 DT H6 1.0 2.0 4.5 64 54 B 5 DT H2'' B 6 DT H6 1.0 2.0 4.5 65 55 B 5 DT H2'' B 6 DT H71 1.0 2.0 4.5 66 56 B 5 DT H3 B 6 DT H3 1.0 2.0 4.5 67 57 B 5 DT H6 B 6 DT H6 1.0 2.5 6.0 68 58 B 5 DT H6 B 6 DT H71 1.0 2.0 4.5 69 59 B 5 DT H71 B 6 DT H71 1.0 2.0 4.5 70 60 C 27 DA H2 B 5 DT H3 1.0 2.5 6.0 71 61 C 28 DA H2 B 5 DT H3 1.0 1.5 3.5 72 62 C 29 DG H1 B 5 DT H3 1.0 2.5 6.0 73 63 B 5 DT H6 A 415 ARG HGy 1.0 2.5 6.0 74 63 B 5 DT H6 A 415 ARG HGx 1.0 2.5 6.0 75 64 B 5 DT H71 A 415 ARG HA 1.0 2.0 4.5 76 65 B 5 DT H71 A 415 ARG HE 1.0 2.0 4.5 77 66 B 5 DT H71 A 415 ARG HDx 1.0 2.0 4.5 78 67 B 5 DT H71 A 415 ARG HDy 1.0 2.0 4.5 79 68 B 5 DT H71 A 415 ARG HGy 1.0 1.5 2.8 80 68 B 5 DT H71 A 415 ARG HGx 1.0 1.5 2.8 81 69 B 5 DT H2'' A 416 LYS HBy 1.0 2.5 6.0 82 69 B 5 DT H2'' A 416 LYS HBx 1.0 2.5 6.0 83 70 B 5 DT H3' A 416 LYS HBy 1.0 2.0 4.5 84 70 B 5 DT H3' A 416 LYS HBx 1.0 2.0 4.5 85 71 B 5 DT H3' A 416 LYS HDx 1.0 2.5 6.0 86 71 B 5 DT H3' A 416 LYS HDy 1.0 2.5 6.0 87 72 B 5 DT H3' A 416 LYS HEx 1.0 2.0 4.5 88 72 B 5 DT H3' A 416 LYS HEy 1.0 2.0 4.5 89 73 B 5 DT H6 A 416 LYS HBx 1.0 2.5 6.0 90 74 B 5 DT H6 A 416 LYS HBy 1.0 2.5 6.0 91 75 B 5 DT H71 A 416 LYS H 1.0 2.0 4.5 92 76 B 6 DT H6 B 6 DT H1' 1.0 2.5 6.0 93 77 B 6 DT H6 B 6 DT H2' 1.0 2.0 4.5 94 78 B 6 DT H6 B 6 DT H2'' 1.0 1.5 3.5 95 79 B 6 DT H6 B 6 DT H3' 1.0 2.0 4.5 96 80 B 6 DT H1' B 7 DT H4' 1.0 2.5 6.0 97 81 B 6 DT H1' B 7 DT H6 1.0 2.5 6.0 98 82 B 6 DT H1' B 7 DT H71 1.0 2.5 6.0 99 83 B 6 DT H2' B 7 DT H6 1.0 2.0 4.5 100 84 B 6 DT H2' B 7 DT H71 1.0 1.5 2.8 101 85 B 6 DT H2'' B 7 DT H6 1.0 2.0 4.5 102 86 B 6 DT H2'' B 7 DT H71 1.0 2.0 4.5 103 87 B 6 DT H3' B 7 DT H6 1.0 2.5 6.0 104 88 B 6 DT H3' B 7 DT H71 1.0 2.0 4.5 105 89 B 6 DT H6 B 7 DT H6 1.0 2.0 4.5 106 90 B 6 DT H6 B 7 DT H71 1.0 2.0 4.5 107 91 B 6 DT H71 B 7 DT H3 1.0 2.5 6.0 108 92 B 6 DT H71 B 7 DT H71 1.0 1.5 3.5 109 93 C 27 DA H2 B 6 DT H3 1.0 1.5 3.5 110 94 C 28 DA H2 B 6 DT H3 1.0 2.0 4.5 111 95 B 6 DT H71 A 415 ARG HDx 1.0 2.0 4.5 112 95 B 6 DT H71 A 415 ARG HDy 1.0 2.0 4.5 113 96 B 6 DT H71 A 415 ARG HE 1.0 2.5 6.0 114 97 B 6 DT H71 A 416 LYS H 1.0 2.5 6.0 115 98 B 6 DT H71 A 417 TYR HA 1.0 2.0 4.5 116 99 B 6 DT H71 A 417 TYR H 1.0 2.5 6.0 117 100 B 6 DT H71 A 418 GLY H 1.0 2.5 6.0 118 101 B 7 DT H1' B 7 DT H3 1.0 2.5 6.0 119 102 B 7 DT H6 B 7 DT H1' 1.0 2.0 4.5 120 103 B 7 DT H71 B 7 DT H1' 1.0 2.5 6.0 121 104 B 7 DT H6 B 7 DT H2' 1.0 1.5 3.5 122 105 B 7 DT H6 B 7 DT H2'' 1.0 2.0 4.5 123 106 B 7 DT H6 B 7 DT H3' 1.0 2.0 4.5 124 107 B 7 DT H1' B 8 DG H8 1.0 2.5 6.0 125 108 B 7 DT H2' B 8 DG H8 1.0 2.0 4.5 126 109 B 7 DT H2'' B 8 DG H8 1.0 2.0 4.5 127 110 B 8 DG H1 B 7 DT H3 1.0 2.0 4.5 128 111 B 7 DT H3' B 8 DG H8 1.0 2.5 6.0 129 112 B 7 DT H6 B 8 DG H8 1.0 2.5 6.0 130 113 C 26 DA H2 B 7 DT H3 1.0 1.5 3.5 131 114 B 7 DT H71 A 418 GLY HAy 1.0 2.5 6.0 132 114 B 7 DT H71 A 418 GLY HAx 1.0 2.5 6.0 133 115 B 7 DT H71 A 418 GLY HAy 1.0 2.5 6.0 134 116 B 7 DT H71 A 418 GLY HAx 1.0 2.5 6.0 135 117 B 7 DT H71 A 418 GLY H 1.0 2.0 4.5 136 118 B 7 DT H71 A 419 GLN HBx 1.0 2.0 4.5 137 118 B 7 DT H71 A 419 GLN HBy 1.0 2.0 4.5 138 119 B 7 DT H71 A 419 GLN H 1.0 2.0 4.5 139 120 B 8 DG H8 B 8 DG H1' 1.0 2.0 4.5 140 121 B 8 DG H8 B 8 DG H2' 1.0 1.5 2.8 141 122 B 8 DG H8 B 8 DG H2'' 1.0 1.5 3.5 142 123 B 8 DG H8 B 8 DG H3' 1.0 2.0 4.5 143 124 B 8 DG H1 B 9 DA H2 1.0 2.0 4.5 144 125 B 8 DG H1' B 9 DA H8 1.0 2.0 4.5 145 126 B 8 DG H2'' B 9 DA H8 1.0 1.5 3.5 146 127 B 8 DG H3' B 9 DA H8 1.0 2.5 6.0 147 128 B 8 DG H8 B 9 DA H8 1.0 2.5 6.0 148 129 B 8 DG H1 C 24 DT H3 1.0 2.5 6.0 149 130 B 8 DG H1 C 25 DC H5 1.0 2.5 6.0 150 131 B 8 DG H1 C 25 DC H41 1.0 1.5 3.5 151 132 B 8 DG H1 C 25 DC H42 1.0 2.5 6.0 152 133 B 8 DG H1 C 26 DA H2 1.0 2.0 4.5 153 134 B 9 DA H8 B 9 DA H1' 1.0 2.0 4.5 154 135 B 9 DA H8 B 9 DA H2' 1.0 1.5 3.5 155 136 B 9 DA H8 B 9 DA H2'' 1.0 1.5 3.5 156 137 B 9 DA H8 B 9 DA H3' 1.0 2.0 4.5 157 138 B 9 DA H1' B 10 DC H5 1.0 2.5 6.0 158 139 B 9 DA H1' B 10 DC H6 1.0 2.0 4.5 159 140 B 9 DA H2' B 10 DC H6 1.0 2.0 4.5 160 141 B 9 DA H2'' B 10 DC H6 1.0 2.0 4.5 161 142 B 9 DA H3' B 10 DC H6 1.0 2.5 6.0 162 143 B 9 DA H8 B 10 DC H5 1.0 2.5 6.0 163 144 B 9 DA H8 B 10 DC H6 1.0 2.5 6.0 164 145 B 9 DA H2 C 23 DG H1 1.0 2.0 4.5 165 146 B 9 DA H2 C 24 DT H3 1.0 1.5 3.5 166 147 B 10 DC H6 B 10 DC H1' 1.0 2.0 4.5 167 148 B 10 DC H6 B 10 DC H2' 1.0 1.5 3.5 168 149 B 10 DC H6 B 10 DC H2'' 1.0 1.5 3.5 169 150 B 10 DC H6 B 10 DC H3' 1.0 2.0 4.5 170 151 B 10 DC H1' B 11 DC H5 1.0 2.5 6.0 171 152 B 10 DC H2' B 11 DC H5 1.0 2.0 4.5 172 153 B 10 DC H2' B 11 DC H6 1.0 1.5 3.5 173 154 B 10 DC H2'' B 11 DC H5 1.0 2.0 4.5 174 155 B 10 DC H2'' B 11 DC H6 1.0 1.5 3.5 175 156 B 10 DC H3' B 11 DC H5 1.0 2.5 6.0 176 157 B 10 DC H1' C 22 DG H1 1.0 2.5 6.0 177 158 C 22 DG H1 B 10 DC H41 1.0 2.5 6.0 178 159 B 10 DC H5 C 23 DG H1 1.0 2.5 6.0 179 160 C 23 DG H1 B 10 DC H41 1.0 1.5 3.5 180 161 C 23 DG H1 B 10 DC H42 1.0 2.0 4.5 181 162 B 11 DC H6 B 11 DC H1' 1.0 2.0 4.5 182 163 B 11 DC H5 B 11 DC H2' 1.0 2.5 6.0 183 164 B 11 DC H6 B 11 DC H2' 1.0 1.5 3.5 184 165 B 11 DC H6 B 11 DC H2'' 1.0 1.5 3.5 185 166 B 11 DC H6 B 11 DC H3' 1.0 2.0 4.5 186 167 B 11 DC H1' B 12 DA H8 1.0 2.0 4.5 187 168 B 11 DC H2' B 12 DA H8 1.0 2.5 6.0 188 169 B 11 DC H2'' B 12 DA H8 1.0 2.0 4.5 189 170 B 11 DC H3' B 12 DA H8 1.0 2.5 6.0 190 171 B 11 DC H6 B 12 DA H8 1.0 2.5 6.0 191 172 B 11 DC H41 C 21 DT H3 1.0 2.5 6.0 192 173 C 22 DG H1 B 11 DC H41 1.0 1.5 3.5 193 174 C 22 DG H1 B 11 DC H42 1.0 2.0 4.5 194 175 C 23 DG H1 B 11 DC H41 1.0 2.0 4.5 195 176 B 12 DA H8 B 12 DA H1' 1.0 2.0 4.5 196 177 B 12 DA H8 B 12 DA H2' 1.0 1.5 3.5 197 178 B 12 DA H8 B 12 DA H2'' 1.0 1.5 3.5 198 179 B 12 DA H8 B 12 DA H3' 1.0 2.0 4.5 199 180 B 12 DA H2 C 21 DT H3 1.0 1.5 3.5 200 181 C 22 DG H1 B 12 DA H2 1.0 2.0 4.5 201 182 C 21 DT H1' C 21 DT H6 1.0 2.0 4.5 202 183 C 21 DT H1' C 21 DT H71 1.0 2.5 6.0 203 184 C 21 DT H6 C 21 DT H2' 1.0 1.5 3.5 204 185 C 21 DT H6 C 21 DT H2'' 1.0 1.5 3.5 205 186 C 21 DT H71 C 21 DT H2'' 1.0 2.5 6.0 206 187 C 21 DT H6 C 21 DT H3' 1.0 2.0 4.5 207 188 C 21 DT H6 C 21 DT H4' 1.0 2.5 6.0 208 189 C 21 DT H1' C 22 DG H8 1.0 2.0 4.5 209 190 C 21 DT H2' C 22 DG H8 1.0 2.0 4.5 210 191 C 21 DT H2'' C 22 DG H8 1.0 2.0 4.5 211 192 C 22 DG H1 C 21 DT H3 1.0 2.5 6.0 212 193 C 21 DT H3' C 22 DG H8 1.0 2.5 6.0 213 194 C 21 DT H6 C 22 DG H8 1.0 2.5 6.0 214 195 C 22 DG H8 C 22 DG H1' 1.0 2.0 4.5 215 196 C 22 DG H8 C 22 DG H2' 1.0 1.5 2.8 216 196 C 22 DG H8 C 22 DG H2'' 1.0 1.5 2.8 217 197 C 22 DG H8 C 22 DG H3' 1.0 2.0 4.5 218 198 C 23 DG H1 C 22 DG H1 1.0 2.5 6.0 219 199 C 22 DG H1' C 23 DG H8 1.0 2.0 4.5 220 200 C 23 DG H8 C 22 DG H2' 1.0 2.0 4.5 221 200 C 22 DG H2'' C 23 DG H8 1.0 2.0 4.5 222 201 C 22 DG H8 C 23 DG H8 1.0 2.5 6.0 223 202 C 22 DG H8 A 420 LYS HEx 1.0 2.0 4.5 224 202 C 22 DG H8 A 420 LYS HEy 1.0 2.0 4.5 225 203 C 23 DG H8 C 23 DG H1' 1.0 2.0 4.5 226 204 C 23 DG H8 C 23 DG H2' 1.0 2.0 4.5 227 205 C 23 DG H8 C 23 DG H2'' 1.0 2.5 6.0 228 206 C 23 DG H8 C 23 DG H3' 1.0 2.5 6.0 229 207 C 23 DG H1 C 24 DT H3 1.0 2.5 6.0 230 208 C 23 DG H1' C 24 DT H6 1.0 2.5 6.0 231 209 C 23 DG H1' C 24 DT H71 1.0 2.5 6.0 232 210 C 23 DG H2' C 24 DT H6 1.0 2.5 6.0 233 211 C 23 DG H2' C 24 DT H71 1.0 2.0 4.5 234 212 C 23 DG H2'' C 24 DT H6 1.0 2.0 4.5 235 213 C 23 DG H2'' C 24 DT H71 1.0 2.5 6.0 236 214 C 23 DG H3' C 24 DT H6 1.0 2.5 6.0 237 215 C 23 DG H8 C 24 DT H6 1.0 2.5 6.0 238 216 C 23 DG H8 C 24 DT H71 1.0 2.0 4.5 239 217 C 23 DG H1' A 417 TYR HE% 1.0 2.5 6.0 240 218 C 23 DG H2'' A 417 TYR HE% 1.0 2.5 6.0 241 219 C 23 DG H8 A 420 LYS HEx 1.0 1.5 3.5 242 219 C 23 DG H8 A 420 LYS HEy 1.0 1.5 3.5 243 220 C 23 DG H2' A 431 TYR HE% 1.0 2.5 6.0 244 221 C 23 DG H2'' A 431 TYR HE% 1.0 2.5 6.0 245 222 C 23 DG H3' A 431 TYR HD% 1.0 2.5 6.0 246 223 C 23 DG H3' A 431 TYR HE% 1.0 2.0 4.5 247 224 C 23 DG H8 A 431 TYR HE% 1.0 2.5 6.0 248 225 C 24 DT H6 C 24 DT H1' 1.0 2.5 6.0 249 226 C 24 DT H6 C 24 DT H2' 1.0 2.0 4.5 250 227 C 24 DT H71 C 24 DT H2' 1.0 2.5 6.0 251 228 C 24 DT H6 C 24 DT H2'' 1.0 2.0 4.5 252 229 C 24 DT H6 C 24 DT H3' 1.0 2.5 6.0 253 230 C 24 DT H6 C 24 DT H5' 1.0 2.5 6.0 254 230 C 24 DT H6 C 24 DT H5'' 1.0 2.5 6.0 255 231 C 24 DT H1' C 25 DC H6 1.0 2.0 4.5 256 232 C 25 DC H5 C 24 DT H2' 1.0 2.5 6.0 257 233 C 24 DT H2' C 25 DC H6 1.0 2.0 4.5 258 234 C 25 DC H5 C 24 DT H2'' 1.0 2.0 4.5 259 235 C 24 DT H2'' C 25 DC H6 1.0 1.5 3.5 260 236 C 25 DC H41 C 24 DT H3 1.0 2.5 6.0 261 237 C 25 DC H5 C 24 DT H6 1.0 2.5 6.0 262 238 C 24 DT H1' A 417 TYR HD% 1.0 2.5 6.0 263 239 A 417 TYR HE% C 24 DT H1' 1.0 2.5 6.0 264 240 C 24 DT H2' A 417 TYR HD% 1.0 2.0 4.5 265 241 A 417 TYR HE% C 24 DT H2' 1.0 2.0 4.5 266 242 C 24 DT H2'' A 417 TYR HD% 1.0 2.5 6.0 267 243 A 417 TYR HE% C 24 DT H2'' 1.0 2.5 6.0 268 244 C 24 DT H3' A 417 TYR HD% 1.0 2.5 6.0 269 245 A 417 TYR HE% C 24 DT H3' 1.0 2.0 4.5 270 246 C 24 DT H6 A 417 TYR HD% 1.0 2.0 4.5 271 247 C 24 DT H6 A 417 TYR HE% 1.0 1.5 3.5 272 248 C 24 DT H71 A 417 TYR HD% 1.0 2.5 6.0 273 249 C 24 DT H71 A 417 TYR HE% 1.0 2.0 4.5 274 250 C 24 DT H71 A 418 GLY HAy 1.0 2.0 4.5 275 251 A 418 GLY HAx C 24 DT H71 1.0 2.0 4.5 276 252 C 24 DT H71 A 419 GLN H 1.0 2.5 6.0 277 253 C 24 DT H71 A 420 LYS HDy 1.0 2.5 6.0 278 253 C 24 DT H71 A 420 LYS HDx 1.0 2.5 6.0 279 254 C 24 DT H71 A 420 LYS HEx 1.0 2.5 6.0 280 254 A 420 LYS HEy C 24 DT H71 1.0 2.5 6.0 281 255 C 24 DT H71 A 420 LYS HGx 1.0 2.5 6.0 282 255 C 24 DT H71 A 420 LYS HGy 1.0 2.5 6.0 283 256 C 24 DT H71 A 431 TYR HD% 1.0 2.0 4.5 284 257 C 24 DT H71 A 431 TYR HE% 1.0 2.0 4.5 285 258 C 25 DC H6 C 25 DC H1' 1.0 2.0 4.5 286 259 C 25 DC H5 C 25 DC H2' 1.0 2.5 6.0 287 260 C 25 DC H6 C 25 DC H2' 1.0 1.5 3.5 288 261 C 25 DC H5 C 25 DC H2'' 1.0 2.5 6.0 289 262 C 25 DC H6 C 25 DC H2'' 1.0 2.0 4.5 290 263 C 25 DC H6 C 25 DC H3' 1.0 2.0 4.5 291 264 C 25 DC H1' C 26 DA H8 1.0 2.0 4.5 292 265 C 25 DC H2' C 26 DA H8 1.0 2.0 4.5 293 266 C 25 DC H2'' C 26 DA H8 1.0 2.0 4.5 294 267 C 25 DC H6 C 26 DA H8 1.0 2.5 6.0 295 268 A 417 TYR HA C 25 DC H5 1.0 2.5 6.0 296 269 C 25 DC H5 A 417 TYR HBx 1.0 2.0 4.5 297 270 C 25 DC H5 A 417 TYR HD% 1.0 2.0 4.5 298 271 C 25 DC H5 A 417 TYR HE% 1.0 2.5 6.0 299 272 C 25 DC H42 A 417 TYR HD% 1.0 2.0 4.5 300 273 C 25 DC H6 A 417 TYR HD% 1.0 2.5 6.0 301 274 A 417 TYR HE% C 25 DC H6 1.0 2.5 6.0 302 275 C 25 DC H5 A 418 GLY H 1.0 2.5 6.0 303 276 C 25 DC H42 A 418 GLY HAy 1.0 2.0 4.5 304 276 A 418 GLY HAx C 25 DC H42 1.0 2.0 4.5 305 277 C 25 DC H42 A 418 GLY H 1.0 2.5 6.0 306 278 C 26 DA H8 C 26 DA H1' 1.0 2.0 4.5 307 279 C 26 DA H8 C 26 DA H2' 1.0 1.5 3.5 308 280 C 26 DA H8 C 26 DA H2'' 1.0 1.5 3.5 309 281 C 26 DA H8 C 26 DA H3' 1.0 2.0 4.5 310 282 C 26 DA H1' C 27 DA H8 1.0 2.0 4.5 311 283 C 26 DA H2' C 27 DA H8 1.0 2.0 4.5 312 284 C 26 DA H2'' C 27 DA H8 1.0 1.5 3.5 313 285 C 26 DA H3' C 27 DA H8 1.0 2.5 6.0 314 286 C 27 DA H8 C 27 DA H1' 1.0 2.0 4.5 315 287 C 27 DA H8 C 27 DA H2' 1.0 1.5 2.8 316 288 C 27 DA H8 C 27 DA H2'' 1.0 1.5 3.5 317 289 C 27 DA H8 C 27 DA H3' 1.0 2.0 4.5 318 290 C 27 DA H1' C 28 DA H8 1.0 2.0 4.5 319 291 C 27 DA H2 C 28 DA H2 1.0 2.0 4.5 320 292 C 27 DA H2'' C 28 DA H8 1.0 2.0 4.5 321 293 C 27 DA H3' C 28 DA H8 1.0 2.5 6.0 322 294 C 27 DA H8 C 28 DA H8 1.0 2.0 4.5 323 295 C 28 DA H8 C 28 DA H1' 1.0 2.0 4.5 324 296 C 28 DA H8 C 28 DA H2' 1.0 1.5 3.5 325 297 C 28 DA H8 C 28 DA H2'' 1.0 1.5 3.5 326 298 C 28 DA H8 C 28 DA H3' 1.0 2.0 4.5 327 299 C 28 DA H1' C 29 DG H8 1.0 2.0 4.5 328 300 C 28 DA H2' C 29 DG H8 1.0 2.0 4.5 329 301 C 28 DA H2'' C 29 DG H8 1.0 2.0 4.5 330 302 C 28 DA H3' C 29 DG H8 1.0 2.5 6.0 331 303 C 28 DA H8 C 29 DG H8 1.0 2.5 6.0 332 304 C 29 DG H1 C 29 DG H1' 1.0 2.5 6.0 333 305 C 29 DG H8 C 29 DG H1' 1.0 2.0 4.5 334 306 C 29 DG H8 C 29 DG H2' 1.0 1.5 2.8 335 307 C 29 DG H8 C 29 DG H2'' 1.0 2.0 4.5 336 308 C 29 DG H8 C 29 DG H3' 1.0 2.0 4.5 337 309 C 30 DG H1 C 29 DG H1 1.0 2.0 4.5 338 310 C 29 DG H1' C 30 DG H8 1.0 2.0 4.5 339 311 C 29 DG H2'' C 30 DG H8 1.0 2.0 4.5 340 312 C 29 DG H3' C 30 DG H8 1.0 2.0 4.5 341 313 C 30 DG H8 C 30 DG H1' 1.0 2.0 4.5 342 314 C 30 DG H8 C 30 DG H2' 1.0 1.5 2.8 343 315 C 30 DG H8 C 30 DG H2'' 1.0 1.5 3.5 344 316 C 30 DG H8 C 30 DG H3' 1.0 2.0 4.5 345 317 A 407 LEU HA A 408 LEU H 1.0 1.5 2.8 346 318 A 408 LEU H A 407 LEU HBx 1.0 2.0 4.5 347 318 A 408 LEU H A 407 LEU HBy 1.0 2.0 4.5 348 319 A 408 LEU H A 407 LEU HDx% 1.0 2.0 4.5 349 319 A 408 LEU H A 407 LEU HDy% 1.0 2.0 4.5 350 320 A 414 TRP HD1 A 407 LEU HDx% 1.0 2.5 6.0 351 320 A 407 LEU HDy% A 414 TRP HD1 1.0 2.5 6.0 352 321 A 432 TYR HD% A 407 LEU HDx% 1.0 1.5 3.5 353 321 A 407 LEU HDy% A 432 TYR HD% 1.0 1.5 3.5 354 322 A 432 TYR HD% A 407 LEU HG 1.0 2.0 4.5 355 323 A 407 LEU HG A 432 TYR HE% 1.0 2.5 6.0 356 324 A 408 LEU HA A 409 ASP H 1.0 1.5 3.5 357 325 A 408 LEU HBx A 409 ASP H 1.0 2.0 4.5 358 326 A 408 LEU HBy A 409 ASP H 1.0 2.0 4.5 359 327 A 409 ASP HA A 410 ASP H 1.0 1.5 3.5 360 328 A 410 ASP H A 409 ASP HB3 1.0 2.5 6.0 361 329 A 410 ASP H A 409 ASP HB2 1.0 2.0 4.5 362 330 A 409 ASP HA A 412 TYR H 1.0 2.0 4.5 363 331 A 410 ASP HA A 411 GLY H 1.0 2.0 4.5 364 332 A 410 ASP H A 411 GLY HAx 1.0 2.5 6.0 365 332 A 410 ASP H A 411 GLY HAy 1.0 2.5 6.0 366 333 A 410 ASP H A 412 TYR H 1.0 2.0 4.5 367 334 A 412 TYR H A 411 GLY HAx 1.0 2.0 4.5 368 335 A 411 GLY HAy A 412 TYR H 1.0 2.0 4.5 369 336 A 411 GLY H A 412 TYR H 1.0 2.0 4.5 370 337 A 414 TRP HE1 A 411 GLY H 1.0 2.0 4.5 371 338 A 411 GLY HAy A 467 LEU HDy% 1.0 1.5 3.5 372 338 A 467 LEU HDx% A 411 GLY HAx 1.0 1.5 3.5 373 338 A 411 GLY HAy A 467 LEU HDx% 1.0 1.5 3.5 374 338 A 411 GLY HAx A 467 LEU HDy% 1.0 1.5 3.5 375 339 A 412 TYR HA A 413 ARG H 1.0 2.0 4.5 376 340 A 412 TYR HB3 A 413 ARG H 1.0 2.0 4.5 377 341 A 412 TYR HB2 A 413 ARG H 1.0 2.0 4.5 378 342 A 412 TYR HD% A 413 ARG H 1.0 2.0 4.5 379 343 A 412 TYR HE% A 413 ARG H 1.0 2.5 6.0 380 344 A 412 TYR H A 413 ARG H 1.0 2.5 6.0 381 345 A 414 TRP HE1 A 412 TYR HA 1.0 2.5 6.0 382 346 A 414 TRP HE1 A 412 TYR HB3 1.0 2.0 4.5 383 347 A 412 TYR HB3 A 414 TRP HZ2 1.0 2.0 4.5 384 348 A 414 TRP HD1 A 412 TYR HB2 1.0 2.5 6.0 385 349 A 414 TRP HE1 A 412 TYR HB2 1.0 2.0 4.5 386 350 A 412 TYR HB2 A 414 TRP HZ2 1.0 2.0 4.5 387 351 A 414 TRP HE1 A 412 TYR HD% 1.0 2.0 4.5 388 352 A 412 TYR HD% A 414 TRP HZ2 1.0 2.0 4.5 389 353 A 412 TYR HE% A 414 TRP HZ2 1.0 2.5 6.0 390 354 A 414 TRP HE1 A 412 TYR H 1.0 2.0 4.5 391 355 A 412 TYR HE% A 441 VAL HG2% 1.0 2.5 6.0 392 356 A 412 TYR HB3 A 463 HIS HE1 1.0 2.0 4.5 393 357 A 412 TYR HE% A 463 HIS HB3 1.0 2.5 6.0 394 358 A 412 TYR HE% A 463 HIS HB2 1.0 2.0 4.5 395 359 A 412 TYR HE% A 463 HIS HD2 1.0 2.0 4.5 396 360 A 412 TYR HE% A 463 HIS HE2 1.0 2.5 6.0 397 361 A 412 TYR HA A 465 HIS HE1 1.0 2.5 6.0 398 362 A 412 TYR HD% A 465 HIS HE1 1.0 1.5 3.5 399 363 A 412 TYR HE% A 465 HIS HE1 1.0 1.5 3.5 400 364 A 412 TYR HE% A 466 ASP HA 1.0 2.5 6.0 401 365 A 412 TYR HA A 467 LEU HDy% 1.0 2.5 6.0 402 365 A 467 LEU HDx% A 412 TYR HA 1.0 2.5 6.0 403 366 A 412 TYR HD% A 467 LEU HA 1.0 2.0 4.5 404 367 A 467 LEU HDx% A 412 TYR HD% 1.0 2.0 4.5 405 368 A 412 TYR HD% A 467 LEU HDy% 1.0 2.0 4.5 406 369 A 412 TYR HE% A 467 LEU HA 1.0 1.5 3.5 407 370 A 412 TYR HE% A 467 LEU HDy% 1.0 1.5 3.5 408 370 A 467 LEU HDx% A 412 TYR HE% 1.0 1.5 3.5 409 371 A 467 LEU HDx% A 412 TYR HE% 1.0 2.0 4.5 410 372 A 412 TYR HE% A 467 LEU HDy% 1.0 2.0 4.5 411 373 A 412 TYR HE% A 467 LEU HG 1.0 2.0 4.5 412 374 A 467 LEU HDx% A 412 TYR H 1.0 2.5 6.0 413 374 A 412 TYR H A 467 LEU HDy% 1.0 2.5 6.0 414 375 A 412 TYR HA A 468 PRO HDy 1.0 2.0 4.5 415 375 A 412 TYR HA A 468 PRO HDx 1.0 2.0 4.5 416 376 A 412 TYR HA A 468 PRO HGx 1.0 1.5 3.5 417 376 A 412 TYR HA A 468 PRO HGy 1.0 1.5 3.5 418 377 A 412 TYR HD% A 468 PRO HDx 1.0 2.0 4.5 419 378 A 412 TYR HD% A 468 PRO HDy 1.0 2.0 4.5 420 379 A 412 TYR HD% A 468 PRO HGx 1.0 2.0 4.5 421 379 A 412 TYR HD% A 468 PRO HGy 1.0 2.0 4.5 422 380 A 412 TYR HE% A 468 PRO HDx 1.0 2.0 4.5 423 381 A 412 TYR HE% A 468 PRO HDy 1.0 2.0 4.5 424 382 A 414 TRP HD1 A 413 ARG HA 1.0 1.5 3.5 425 383 A 413 ARG HA A 414 TRP H 1.0 1.5 3.5 426 384 A 414 TRP H A 413 ARG HBx 1.0 2.5 6.0 427 384 A 413 ARG HBy A 414 TRP H 1.0 2.5 6.0 428 385 A 414 TRP H A 413 ARG HGy 1.0 2.5 6.0 429 385 A 413 ARG HGx A 414 TRP H 1.0 2.5 6.0 430 386 A 465 HIS HE1 A 413 ARG H 1.0 2.5 6.0 431 387 A 468 PRO HGy A 413 ARG H 1.0 2.0 4.5 432 387 A 413 ARG H A 468 PRO HGx 1.0 2.0 4.5 433 388 A 414 TRP HA A 415 ARG HBx 1.0 2.0 4.5 434 388 A 415 ARG HBy A 414 TRP HA 1.0 2.0 4.5 435 389 A 414 TRP HA A 415 ARG H 1.0 1.5 3.5 436 390 A 414 TRP HB3 A 415 ARG H 1.0 2.0 4.5 437 391 A 414 TRP HB2 A 415 ARG H 1.0 2.5 6.0 438 392 A 414 TRP HE3 A 415 ARG H 1.0 2.0 4.5 439 393 A 414 TRP H A 415 ARG H 1.0 2.5 6.0 440 394 A 414 TRP HA A 432 TYR HB3 1.0 2.5 6.0 441 395 A 432 TYR HD% A 414 TRP HA 1.0 2.5 6.0 442 396 A 414 TRP HB3 A 432 TYR HB3 1.0 1.5 3.5 443 397 A 432 TYR HD% A 414 TRP HB3 1.0 2.0 4.5 444 398 A 432 TYR HE% A 414 TRP HB3 1.0 2.5 6.0 445 399 A 432 TYR HD% A 414 TRP HB2 1.0 2.0 4.5 446 400 A 414 TRP HE3 A 432 TYR HB3 1.0 2.0 4.5 447 401 A 414 TRP HE3 A 432 TYR HB2 1.0 2.5 6.0 448 402 A 432 TYR HD% A 414 TRP HE3 1.0 2.0 4.5 449 403 A 414 TRP HA A 433 LYS H 1.0 2.5 6.0 450 404 A 414 TRP HE3 A 433 LYS HA 1.0 2.0 4.5 451 405 A 414 TRP HE3 A 433 LYS HBy 1.0 2.5 6.0 452 405 A 414 TRP HE3 A 433 LYS HBx 1.0 2.5 6.0 453 406 A 414 TRP HE3 A 433 LYS H 1.0 2.5 6.0 454 407 A 433 LYS HA A 414 TRP HZ3 1.0 2.0 4.5 455 408 A 414 TRP HA A 434 CYS HA 1.0 2.0 4.5 456 409 A 414 TRP HE3 A 434 CYS HA 1.0 2.0 4.5 457 410 A 414 TRP HE3 A 434 CYS H 1.0 2.0 4.5 458 411 A 414 TRP HH2 A 434 CYS HB3 1.0 2.5 6.0 459 412 A 414 TRP HH2 A 434 CYS HB2 1.0 2.5 6.0 460 413 A 414 TRP HZ3 A 434 CYS HB3 1.0 2.0 4.5 461 414 A 414 TRP HZ3 A 434 CYS HB2 1.0 2.0 4.5 462 415 A 414 TRP HZ3 A 434 CYS H 1.0 2.0 4.5 463 416 A 414 TRP HA A 435 THR HG2% 1.0 2.0 4.5 464 417 A 414 TRP HA A 435 THR H 1.0 2.0 4.5 465 418 A 414 TRP HE3 A 435 THR H 1.0 2.5 6.0 466 419 A 435 THR HG2% A 414 TRP H 1.0 2.5 6.0 467 420 A 414 TRP HE3 A 441 VAL HG1% 1.0 2.5 6.0 468 421 A 414 TRP HH2 A 441 VAL HB 1.0 2.0 4.5 469 422 A 414 TRP HH2 A 441 VAL HG1% 1.0 1.5 2.8 470 423 A 441 VAL HG2% A 414 TRP HH2 1.0 2.0 4.5 471 424 A 414 TRP HZ2 A 441 VAL HG1% 1.0 2.0 4.5 472 425 A 414 TRP HZ3 A 441 VAL HB 1.0 2.0 4.5 473 426 A 414 TRP HZ3 A 441 VAL HG1% 1.0 1.5 3.5 474 427 A 441 VAL HG2% A 414 TRP HZ3 1.0 2.5 6.0 475 428 A 414 TRP HZ3 A 442 ARG HA 1.0 2.0 4.5 476 429 A 414 TRP HZ3 A 442 ARG H 1.0 2.0 4.5 477 430 A 414 TRP HH2 A 443 LYS HBy 1.0 2.5 6.0 478 430 A 414 TRP HH2 A 443 LYS HBx 1.0 2.5 6.0 479 431 A 414 TRP HZ2 A 443 LYS HDy 1.0 2.5 6.0 480 431 A 414 TRP HZ2 A 443 LYS HDx 1.0 2.5 6.0 481 432 A 414 TRP HZ3 A 443 LYS HBy 1.0 2.5 6.0 482 432 A 414 TRP HZ3 A 443 LYS HBx 1.0 2.5 6.0 483 433 A 414 TRP HZ3 A 443 LYS H 1.0 2.5 6.0 484 434 A 414 TRP HH2 A 459 TYR HD% 1.0 1.5 3.5 485 435 A 414 TRP HH2 A 459 TYR HE% 1.0 2.0 4.5 486 436 A 414 TRP HZ2 A 459 TYR HD% 1.0 2.0 4.5 487 437 A 414 TRP HZ2 A 459 TYR HE% 1.0 1.5 3.5 488 438 A 463 HIS HE1 A 414 TRP HH2 1.0 1.5 3.5 489 439 A 463 HIS HE2 A 414 TRP HH2 1.0 2.5 6.0 490 440 A 414 TRP HZ2 A 463 HIS HE1 1.0 2.5 6.0 491 441 A 414 TRP HZ2 A 463 HIS HE2 1.0 2.5 6.0 492 442 A 415 ARG HA A 416 LYS H 1.0 1.5 3.5 493 443 A 416 LYS H A 415 ARG HGy 1.0 2.0 4.5 494 443 A 415 ARG HGx A 416 LYS H 1.0 2.0 4.5 495 444 A 415 ARG HA A 432 TYR HD% 1.0 2.5 6.0 496 445 A 415 ARG HA A 432 TYR HE% 1.0 2.5 6.0 497 446 A 432 TYR HA A 415 ARG H 1.0 2.5 6.0 498 447 A 432 TYR HB3 A 415 ARG H 1.0 2.5 6.0 499 448 A 432 TYR HB2 A 415 ARG H 1.0 2.5 6.0 500 449 A 432 TYR HD% A 415 ARG H 1.0 2.5 6.0 501 450 A 433 LYS HBx A 415 ARG H 1.0 2.5 6.0 502 450 A 415 ARG H A 433 LYS HBy 1.0 2.5 6.0 503 451 A 415 ARG H A 433 LYS H 1.0 2.0 4.5 504 452 A 434 CYS HA A 415 ARG H 1.0 2.5 6.0 505 453 A 415 ARG HA A 435 THR HG2% 1.0 2.5 6.0 506 454 A 435 THR HG2% A 415 ARG HBx 1.0 1.5 3.5 507 455 A 415 ARG HBy A 435 THR HG2% 1.0 1.5 3.5 508 456 A 435 THR HG2% A 415 ARG HGy 1.0 2.0 4.5 509 456 A 415 ARG HGx A 435 THR HG2% 1.0 2.0 4.5 510 457 A 435 THR HG2% A 415 ARG H 1.0 2.0 4.5 511 458 A 415 ARG H A 435 THR H 1.0 2.5 6.0 512 459 A 417 TYR HD% A 416 LYS HA 1.0 2.5 6.0 513 460 A 416 LYS HA A 417 TYR H 1.0 2.0 4.5 514 461 A 416 LYS HBx A 417 TYR H 1.0 2.0 4.5 515 461 A 417 TYR H A 416 LYS HBy 1.0 2.0 4.5 516 462 A 416 LYS HGx A 417 TYR H 1.0 2.5 6.0 517 462 A 417 TYR H A 416 LYS HGy 1.0 2.5 6.0 518 463 A 416 LYS H A 417 TYR H 1.0 2.5 6.0 519 464 A 430 SER HB3 A 416 LYS HEx 1.0 2.5 6.0 520 464 A 416 LYS HEy A 430 SER HB3 1.0 2.5 6.0 521 465 A 430 SER HB2 A 416 LYS HEx 1.0 2.5 6.0 522 465 A 416 LYS HEy A 430 SER HB2 1.0 2.5 6.0 523 466 A 432 TYR HA A 416 LYS HA 1.0 2.0 4.5 524 467 A 432 TYR HD% A 416 LYS HA 1.0 2.0 4.5 525 468 A 432 TYR HE% A 416 LYS HA 1.0 2.5 6.0 526 469 A 432 TYR HD% A 416 LYS HBy 1.0 2.0 4.5 527 469 A 416 LYS HBx A 432 TYR HD% 1.0 2.0 4.5 528 470 A 416 LYS HBx A 432 TYR HE% 1.0 2.0 4.5 529 471 A 432 TYR HE% A 416 LYS HBy 1.0 2.0 4.5 530 472 A 432 TYR HE% A 416 LYS HDx 1.0 2.5 6.0 531 472 A 416 LYS HDy A 432 TYR HE% 1.0 2.5 6.0 532 473 A 432 TYR HE% A 416 LYS HGy 1.0 2.5 6.0 533 473 A 432 TYR HE% A 416 LYS HGx 1.0 2.5 6.0 534 474 A 416 LYS H A 432 TYR HD% 1.0 2.5 6.0 535 475 A 416 LYS HA A 433 LYS H 1.0 2.5 6.0 536 476 A 417 TYR HA A 418 GLY H 1.0 2.0 4.5 537 477 A 417 TYR HBx A 418 GLY H 1.0 2.0 4.5 538 478 A 417 TYR HD% A 418 GLY HAy 1.0 2.5 6.0 539 478 A 418 GLY HAx A 417 TYR HD% 1.0 2.5 6.0 540 479 A 417 TYR H A 418 GLY H 1.0 2.0 4.5 541 480 A 417 TYR HE% A 431 TYR HB3 1.0 2.0 4.5 542 481 A 417 TYR HE% A 431 TYR HB2 1.0 2.5 6.0 543 482 A 417 TYR HD% A 432 TYR HA 1.0 2.0 4.5 544 483 A 432 TYR HA A 417 TYR H 1.0 2.0 4.5 545 484 A 417 TYR HD% A 433 LYS HBy 1.0 2.0 4.5 546 484 A 417 TYR HD% A 433 LYS HBx 1.0 2.0 4.5 547 485 A 417 TYR HD% A 433 LYS HDy 1.0 2.0 4.5 548 485 A 417 TYR HD% A 433 LYS HDx 1.0 2.0 4.5 549 486 A 417 TYR HD% A 433 LYS HGy 1.0 2.0 4.5 550 486 A 417 TYR HD% A 433 LYS HGx 1.0 2.0 4.5 551 487 A 417 TYR HD% A 433 LYS H 1.0 2.0 4.5 552 488 A 417 TYR HE% A 433 LYS HBy 1.0 2.0 4.5 553 488 A 417 TYR HE% A 433 LYS HBx 1.0 2.0 4.5 554 489 A 417 TYR HE% A 433 LYS HDy 1.0 2.0 4.5 555 489 A 417 TYR HE% A 433 LYS HDx 1.0 2.0 4.5 556 490 A 417 TYR HE% A 433 LYS HGy 1.0 2.0 4.5 557 490 A 417 TYR HE% A 433 LYS HGx 1.0 2.0 4.5 558 491 A 417 TYR HE% A 433 LYS H 1.0 2.5 6.0 559 492 A 417 TYR HE% A 442 ARG HDx 1.0 2.5 6.0 560 493 A 417 TYR HE% A 442 ARG HDy 1.0 2.5 6.0 561 494 A 417 TYR HE% A 442 ARG HGy 1.0 2.5 6.0 562 494 A 417 TYR HE% A 442 ARG HGx 1.0 2.5 6.0 563 495 A 419 GLN H A 418 GLY HAy 1.0 2.5 6.0 564 496 A 418 GLY HAx A 419 GLN H 1.0 2.5 6.0 565 497 A 419 GLN HA A 420 LYS HA 1.0 2.5 6.0 566 498 A 419 GLN HA A 420 LYS H 1.0 2.0 4.5 567 499 A 420 LYS H A 419 GLN HBx 1.0 2.0 4.5 568 499 A 419 GLN HBy A 420 LYS H 1.0 2.0 4.5 569 500 A 419 GLN HGx A 420 LYS H 1.0 2.0 4.5 570 501 A 419 GLN HGy A 420 LYS H 1.0 2.0 4.5 571 502 A 419 GLN HE2x A 428 PRO HGx 1.0 2.0 4.5 572 502 A 419 GLN HE2y A 428 PRO HGx 1.0 2.0 4.5 573 502 A 428 PRO HGy A 419 GLN HE2y 1.0 2.0 4.5 574 502 A 419 GLN HE2x A 428 PRO HGy 1.0 2.0 4.5 575 503 A 419 GLN HA A 430 SER HA 1.0 2.0 4.5 576 504 A 431 TYR HD% A 419 GLN HA 1.0 2.0 4.5 577 505 A 431 TYR HE% A 419 GLN HA 1.0 2.5 6.0 578 506 A 420 LYS HA A 421 VAL H 1.0 1.5 3.5 579 507 A 420 LYS HBy A 421 VAL H 1.0 2.0 4.5 580 507 A 421 VAL H A 420 LYS HBx 1.0 2.0 4.5 581 508 A 422 VAL HG1% A 420 LYS HEx 1.0 2.5 6.0 582 508 A 420 LYS HEy A 422 VAL HG1% 1.0 2.5 6.0 583 509 A 429 ARG HBx A 420 LYS H 1.0 2.5 6.0 584 509 A 420 LYS H A 429 ARG HBy 1.0 2.5 6.0 585 510 A 431 TYR HE% A 420 LYS HBx 1.0 2.0 4.5 586 510 A 431 TYR HE% A 420 LYS HBy 1.0 2.0 4.5 587 511 A 431 TYR HE% A 420 LYS HBy 1.0 2.0 4.5 588 512 A 431 TYR HE% A 420 LYS HBx 1.0 2.0 4.5 589 513 A 431 TYR HE% A 420 LYS HDy 1.0 2.5 6.0 590 513 A 431 TYR HE% A 420 LYS HDx 1.0 2.5 6.0 591 514 A 431 TYR HE% A 420 LYS HEx 1.0 2.5 6.0 592 514 A 420 LYS HEy A 431 TYR HE% 1.0 2.5 6.0 593 515 A 431 TYR HE% A 420 LYS HGx 1.0 2.0 4.5 594 515 A 431 TYR HE% A 420 LYS HGy 1.0 2.0 4.5 595 516 A 431 TYR HD% A 420 LYS H 1.0 2.5 6.0 596 517 A 431 TYR HE% A 420 LYS H 1.0 2.0 4.5 597 518 A 421 VAL HA A 422 VAL H 1.0 1.5 3.5 598 519 A 421 VAL HB A 422 VAL H 1.0 2.5 6.0 599 520 A 421 VAL HG1% A 422 VAL H 1.0 2.0 4.5 600 521 A 421 VAL HG2% A 423 LYS H 1.0 2.5 6.0 601 522 A 421 VAL HG2% A 425 ASN H 1.0 2.5 6.0 602 523 A 421 VAL HA A 428 PRO HBx 1.0 2.5 6.0 603 523 A 421 VAL HA A 428 PRO HBy 1.0 2.5 6.0 604 524 A 421 VAL HG1% A 428 PRO HA 1.0 2.0 4.5 605 525 A 421 VAL HG2% A 428 PRO HA 1.0 2.0 4.5 606 526 A 421 VAL HA A 429 ARG H 1.0 2.5 6.0 607 527 A 422 VAL HA A 423 LYS H 1.0 1.5 2.8 608 528 A 422 VAL HB A 423 LYS H 1.0 2.0 4.5 609 529 A 422 VAL HG1% A 423 LYS H 1.0 2.0 4.5 610 530 A 422 VAL HG2% A 423 LYS H 1.0 2.5 6.0 611 531 A 422 VAL HB A 425 ASN H 1.0 2.5 6.0 612 532 A 422 VAL HG1% A 425 ASN HD2y 1.0 2.5 6.0 613 532 A 422 VAL HG1% A 425 ASN HD2x 1.0 2.5 6.0 614 533 A 422 VAL HG2% A 425 ASN HB3 1.0 1.5 3.5 615 534 A 422 VAL HG2% A 425 ASN HB2 1.0 2.0 4.5 616 535 A 422 VAL HG2% A 425 ASN HD2y 1.0 2.0 4.5 617 535 A 422 VAL HG2% A 425 ASN HD2x 1.0 2.0 4.5 618 536 A 422 VAL HG2% A 425 ASN H 1.0 2.0 4.5 619 537 A 422 VAL HG2% A 427 TYR H 1.0 2.0 4.5 620 538 A 428 PRO HA A 422 VAL H 1.0 2.5 6.0 621 539 A 422 VAL HG2% A 429 ARG H 1.0 2.0 4.5 622 540 A 423 LYS HA A 424 GLY H 1.0 1.5 2.8 623 541 A 423 LYS HBx A 424 GLY H 1.0 1.5 3.5 624 541 A 424 GLY H A 423 LYS HBy 1.0 1.5 3.5 625 542 A 423 LYS HGx A 424 GLY H 1.0 2.0 4.5 626 543 A 423 LYS HGy A 424 GLY H 1.0 2.0 4.5 627 544 A 423 LYS H A 424 GLY H 1.0 2.5 6.0 628 545 A 423 LYS HA A 425 ASN H 1.0 2.0 4.5 629 546 A 425 ASN HA A 424 GLY HAx 1.0 2.5 6.0 630 546 A 424 GLY HAy A 425 ASN HA 1.0 2.5 6.0 631 547 A 425 ASN H A 424 GLY HAx 1.0 2.0 4.5 632 548 A 424 GLY HAy A 425 ASN H 1.0 2.0 4.5 633 549 A 424 GLY H A 425 ASN H 1.0 2.0 4.5 634 550 A 425 ASN HA A 426 PRO HA 1.0 2.5 6.0 635 551 A 425 ASN HA A 426 PRO HBy 1.0 2.5 6.0 636 551 A 425 ASN HA A 426 PRO HBx 1.0 2.5 6.0 637 552 A 425 ASN HA A 426 PRO HDy 1.0 1.5 2.8 638 552 A 425 ASN HA A 426 PRO HDx 1.0 1.5 2.8 639 553 A 425 ASN HA A 426 PRO HDx 1.0 1.5 3.5 640 554 A 425 ASN HA A 426 PRO HDy 1.0 1.5 3.5 641 555 A 425 ASN HA A 426 PRO HGy 1.0 2.0 4.5 642 555 A 425 ASN HA A 426 PRO HGx 1.0 2.0 4.5 643 556 A 425 ASN HB3 A 426 PRO HDy 1.0 2.0 4.5 644 556 A 425 ASN HB3 A 426 PRO HDx 1.0 2.0 4.5 645 557 A 426 PRO HDx A 425 ASN H 1.0 2.0 4.5 646 557 A 425 ASN H A 426 PRO HDy 1.0 2.0 4.5 647 558 A 425 ASN HA A 427 TYR HD% 1.0 2.5 6.0 648 559 A 425 ASN HA A 427 TYR HE% 1.0 2.5 6.0 649 560 A 425 ASN HA A 427 TYR H 1.0 2.5 6.0 650 561 A 425 ASN HB3 A 427 TYR H 1.0 2.0 4.5 651 562 A 448 ALA HA A 425 ASN HD2y 1.0 2.5 6.0 652 562 A 425 ASN HD2x A 448 ALA HA 1.0 2.5 6.0 653 563 A 425 ASN HA A 449 ALA HA 1.0 2.5 6.0 654 564 A 425 ASN HA A 449 ALA HB% 1.0 1.5 3.5 655 565 A 425 ASN HB3 A 449 ALA HB% 1.0 2.0 4.5 656 566 A 449 ALA HA A 425 ASN HD2y 1.0 2.0 4.5 657 566 A 425 ASN HD2x A 449 ALA HA 1.0 2.0 4.5 658 567 A 449 ALA HB% A 425 ASN HD2y 1.0 2.5 6.0 659 567 A 425 ASN HD2x A 449 ALA HB% 1.0 2.5 6.0 660 568 A 425 ASN HD2x A 449 ALA H 1.0 2.0 4.5 661 568 A 449 ALA H A 425 ASN HD2y 1.0 2.0 4.5 662 569 A 426 PRO HA A 427 TYR HD% 1.0 2.5 6.0 663 570 A 426 PRO HA A 427 TYR H 1.0 2.0 4.5 664 571 A 427 TYR HE% A 426 PRO HBy 1.0 2.0 4.5 665 571 A 426 PRO HBx A 427 TYR HE% 1.0 2.0 4.5 666 572 A 427 TYR H A 426 PRO HBy 1.0 2.0 4.5 667 572 A 426 PRO HBx A 427 TYR H 1.0 2.0 4.5 668 573 A 427 TYR HD% A 426 PRO HBy 1.0 2.0 4.5 669 574 A 426 PRO HBx A 427 TYR HD% 1.0 2.0 4.5 670 575 A 427 TYR HD% A 426 PRO HDy 1.0 2.0 4.5 671 575 A 426 PRO HDx A 427 TYR HD% 1.0 2.0 4.5 672 576 A 427 TYR HE% A 426 PRO HDy 1.0 2.0 4.5 673 576 A 426 PRO HDx A 427 TYR HE% 1.0 2.0 4.5 674 577 A 426 PRO HDx A 427 TYR H 1.0 2.5 6.0 675 578 A 427 TYR H A 426 PRO HDy 1.0 2.5 6.0 676 579 A 427 TYR HD% A 426 PRO HGy 1.0 2.0 4.5 677 579 A 426 PRO HGx A 427 TYR HD% 1.0 2.0 4.5 678 580 A 427 TYR HE% A 426 PRO HGy 1.0 2.0 4.5 679 580 A 426 PRO HGx A 427 TYR HE% 1.0 2.0 4.5 680 581 A 427 TYR H A 426 PRO HGy 1.0 2.5 6.0 681 581 A 426 PRO HGx A 427 TYR H 1.0 2.5 6.0 682 582 A 426 PRO HA A 428 PRO HDy 1.0 2.5 6.0 683 582 A 426 PRO HA A 428 PRO HDx 1.0 2.5 6.0 684 583 A 426 PRO HDx A 449 ALA HB% 1.0 2.0 4.5 685 584 A 449 ALA HB% A 426 PRO HDy 1.0 2.0 4.5 686 585 A 428 PRO HDx A 427 TYR HA 1.0 2.0 4.5 687 586 A 427 TYR HA A 428 PRO HDy 1.0 2.0 4.5 688 587 A 427 TYR HA A 428 PRO HGx 1.0 2.0 4.5 689 587 A 428 PRO HGy A 427 TYR HA 1.0 2.0 4.5 690 588 A 427 TYR HBx A 428 PRO HDy 1.0 2.0 4.5 691 588 A 428 PRO HDx A 427 TYR HBx 1.0 2.0 4.5 692 589 A 427 TYR HBy A 428 PRO HDy 1.0 2.5 6.0 693 589 A 428 PRO HDx A 427 TYR HBy 1.0 2.5 6.0 694 590 A 427 TYR HD% A 428 PRO HDx 1.0 2.0 4.5 695 591 A 427 TYR HD% A 428 PRO HDy 1.0 2.0 4.5 696 592 A 428 PRO HDx A 427 TYR H 1.0 2.5 6.0 697 592 A 427 TYR H A 428 PRO HDy 1.0 2.5 6.0 698 593 A 427 TYR HBx A 447 ARG HBx 1.0 2.0 4.5 699 593 A 427 TYR HBx A 447 ARG HBy 1.0 2.0 4.5 700 594 A 427 TYR HBy A 447 ARG HBx 1.0 2.0 4.5 701 594 A 427 TYR HBy A 447 ARG HBy 1.0 2.0 4.5 702 595 A 427 TYR HBy A 447 ARG HDx 1.0 2.0 4.5 703 595 A 427 TYR HBy A 447 ARG HDy 1.0 2.0 4.5 704 596 A 427 TYR HD% A 447 ARG HBx 1.0 2.0 4.5 705 597 A 427 TYR HD% A 447 ARG HDx 1.0 2.5 6.0 706 597 A 427 TYR HD% A 447 ARG HDy 1.0 2.5 6.0 707 598 A 427 TYR HD% A 447 ARG HBy 1.0 2.0 4.5 708 599 A 427 TYR HD% A 447 ARG H 1.0 2.5 6.0 709 600 A 427 TYR HD% A 449 ALA HA 1.0 2.0 4.5 710 601 A 427 TYR HD% A 449 ALA HB% 1.0 2.0 4.5 711 602 A 427 TYR HD% A 449 ALA H 1.0 2.5 6.0 712 603 A 427 TYR HE% A 449 ALA HA 1.0 1.5 3.5 713 604 A 427 TYR HE% A 449 ALA HB% 1.0 2.0 4.5 714 605 A 427 TYR HE% A 452 PRO HA 1.0 2.0 4.5 715 606 A 427 TYR HE% A 452 PRO HBx 1.0 2.0 4.5 716 606 A 427 TYR HE% A 452 PRO HBy 1.0 2.0 4.5 717 607 A 428 PRO HA A 429 ARG H 1.0 2.0 4.5 718 608 A 429 ARG H A 428 PRO HBx 1.0 2.5 6.0 719 608 A 428 PRO HBy A 429 ARG H 1.0 2.5 6.0 720 609 A 429 ARG HA A 430 SER H 1.0 2.0 4.5 721 610 A 431 TYR HE% A 429 ARG HBy 1.0 2.0 4.5 722 610 A 431 TYR HE% A 429 ARG HBx 1.0 2.0 4.5 723 611 A 431 TYR HE% A 429 ARG HGy 1.0 2.5 6.0 724 611 A 431 TYR HE% A 429 ARG HGx 1.0 2.5 6.0 725 612 A 429 ARG HA A 446 GLU HGx 1.0 1.5 3.5 726 612 A 429 ARG HA A 446 GLU HGy 1.0 1.5 3.5 727 613 A 429 ARG HA A 447 ARG H 1.0 2.5 6.0 728 614 A 430 SER HA A 431 TYR H 1.0 2.0 4.5 729 615 A 430 SER HB3 A 431 TYR H 1.0 2.5 6.0 730 616 A 432 TYR HD% A 430 SER HA 1.0 2.5 6.0 731 617 A 432 TYR HE% A 430 SER HA 1.0 2.5 6.0 732 618 A 432 TYR HE% A 430 SER HB3 1.0 2.0 4.5 733 619 A 432 TYR HD% A 430 SER HB2 1.0 2.5 6.0 734 620 A 432 TYR HE% A 430 SER HB2 1.0 2.0 4.5 735 621 A 430 SER HB2 A 445 VAL HB 1.0 1.5 2.8 736 622 A 430 SER H A 445 VAL H 1.0 2.5 6.0 737 623 A 446 GLU HA A 430 SER H 1.0 2.5 6.0 738 624 A 431 TYR HA A 432 TYR H 1.0 2.0 4.5 739 625 A 431 TYR HA A 444 HIS HA 1.0 2.0 4.5 740 626 A 431 TYR HA A 444 HIS HBx 1.0 2.5 6.0 741 626 A 431 TYR HA A 444 HIS HBy 1.0 2.5 6.0 742 627 A 431 TYR HD% A 444 HIS HA 1.0 2.5 6.0 743 628 A 431 TYR HE% A 444 HIS HBx 1.0 2.5 6.0 744 628 A 431 TYR HE% A 444 HIS HBy 1.0 2.5 6.0 745 629 A 431 TYR HE% A 444 HIS HD2 1.0 2.0 4.5 746 630 A 432 TYR HA A 433 LYS HGy 1.0 2.0 4.5 747 630 A 432 TYR HA A 433 LYS HGx 1.0 2.0 4.5 748 631 A 432 TYR HA A 433 LYS H 1.0 2.0 4.5 749 632 A 432 TYR HB3 A 433 LYS H 1.0 2.5 6.0 750 633 A 432 TYR HB2 A 433 LYS HA 1.0 2.5 6.0 751 634 A 432 TYR HB2 A 433 LYS H 1.0 2.5 6.0 752 635 A 432 TYR HD% A 433 LYS H 1.0 2.5 6.0 753 636 A 432 TYR HB2 A 443 LYS HGx 1.0 2.5 6.0 754 636 A 432 TYR HB2 A 443 LYS HGy 1.0 2.5 6.0 755 637 A 432 TYR HB2 A 443 LYS H 1.0 2.5 6.0 756 638 A 432 TYR HD% A 443 LYS HGx 1.0 2.5 6.0 757 638 A 432 TYR HD% A 443 LYS HGy 1.0 2.5 6.0 758 639 A 432 TYR HD% A 443 LYS H 1.0 2.5 6.0 759 640 A 444 HIS HA A 432 TYR H 1.0 2.5 6.0 760 641 A 444 HIS HD2 A 432 TYR H 1.0 2.5 6.0 761 642 A 432 TYR HD% A 445 VAL HB 1.0 1.5 3.5 762 643 A 432 TYR HD% A 445 VAL HG2% 1.0 1.5 2.8 763 644 A 432 TYR HD% A 445 VAL H 1.0 2.5 6.0 764 645 A 432 TYR HE% A 445 VAL HB 1.0 2.0 4.5 765 646 A 432 TYR HE% A 445 VAL HG1% 1.0 1.5 3.5 766 647 A 432 TYR HE% A 445 VAL HG2% 1.0 1.5 3.5 767 648 A 432 TYR HE% A 445 VAL H 1.0 2.5 6.0 768 649 A 433 LYS HA A 434 CYS H 1.0 2.0 4.5 769 650 A 433 LYS HBx A 434 CYS H 1.0 2.0 4.5 770 650 A 434 CYS H A 433 LYS HBy 1.0 2.0 4.5 771 651 A 434 CYS H A 433 LYS HGy 1.0 2.5 6.0 772 651 A 433 LYS HGx A 434 CYS H 1.0 2.5 6.0 773 652 A 433 LYS HA A 442 ARG HA 1.0 1.5 3.5 774 653 A 433 LYS HA A 442 ARG HB3 1.0 2.0 4.5 775 654 A 433 LYS HDy A 442 ARG HGy 1.0 1.5 3.5 776 654 A 442 ARG HGx A 433 LYS HDy 1.0 1.5 3.5 777 654 A 433 LYS HDx A 442 ARG HGx 1.0 1.5 3.5 778 654 A 433 LYS HDx A 442 ARG HGy 1.0 1.5 3.5 779 655 A 433 LYS HA A 443 LYS H 1.0 2.5 6.0 780 656 A 434 CYS HA A 435 THR HG2% 1.0 2.0 4.5 781 657 A 434 CYS HA A 435 THR H 1.0 1.5 3.5 782 658 A 434 CYS HB3 A 435 THR H 1.0 2.0 4.5 783 659 A 434 CYS HB2 A 435 THR H 1.0 2.5 6.0 784 660 A 434 CYS H A 435 THR H 1.0 2.5 6.0 785 661 A 434 CYS HB3 A 441 VAL HB 1.0 2.0 4.5 786 662 A 434 CYS HB3 A 441 VAL HG1% 1.0 2.0 4.5 787 663 A 441 VAL HG2% A 434 CYS HB3 1.0 2.0 4.5 788 664 A 434 CYS HB3 A 441 VAL H 1.0 2.0 4.5 789 665 A 434 CYS HB2 A 441 VAL HB 1.0 2.0 4.5 790 666 A 434 CYS HB2 A 441 VAL HG1% 1.0 2.0 4.5 791 667 A 441 VAL HG2% A 434 CYS HB2 1.0 2.5 6.0 792 668 A 434 CYS HB2 A 441 VAL H 1.0 2.0 4.5 793 669 A 441 VAL HB A 434 CYS H 1.0 2.5 6.0 794 670 A 441 VAL HG1% A 434 CYS H 1.0 2.0 4.5 795 671 A 434 CYS H A 441 VAL H 1.0 2.0 4.5 796 672 A 442 ARG HA A 434 CYS H 1.0 2.0 4.5 797 673 A 463 HIS HE1 A 434 CYS HA 1.0 2.5 6.0 798 674 A 463 HIS HE1 A 434 CYS HB2 1.0 2.0 4.5 799 675 A 463 HIS HE1 A 434 CYS H 1.0 2.0 4.5 800 676 A 435 THR HA A 436 THR H 1.0 2.0 4.5 801 677 A 435 THR HG2% A 436 THR H 1.0 2.5 6.0 802 678 A 435 THR H A 436 THR H 1.0 2.0 4.5 803 679 A 436 THR HA A 437 PRO HDy 1.0 2.0 4.5 804 679 A 436 THR HA A 437 PRO HDx 1.0 2.0 4.5 805 680 A 436 THR HA A 437 PRO HGy 1.0 2.0 4.5 806 680 A 436 THR HA A 437 PRO HGx 1.0 2.0 4.5 807 681 A 436 THR HG2% A 437 PRO HDy 1.0 1.5 3.5 808 681 A 437 PRO HDx A 436 THR HG2% 1.0 1.5 3.5 809 682 A 436 THR HB A 439 CYS HB3 1.0 2.0 4.5 810 683 A 436 THR HB A 439 CYS HB2 1.0 2.0 4.5 811 684 A 436 THR HB A 439 CYS H 1.0 2.5 6.0 812 685 A 436 THR HG2% A 439 CYS HA 1.0 2.5 6.0 813 686 A 436 THR HG2% A 439 CYS HB3 1.0 2.0 4.5 814 687 A 436 THR HG2% A 439 CYS HB2 1.0 2.0 4.5 815 688 A 436 THR HG2% A 439 CYS H 1.0 2.0 4.5 816 689 A 439 CYS HB3 A 436 THR H 1.0 2.5 6.0 817 690 A 439 CYS HB2 A 436 THR H 1.0 2.5 6.0 818 691 A 436 THR H A 439 CYS H 1.0 2.5 6.0 819 692 A 436 THR HB A 465 HIS HD2 1.0 2.0 4.5 820 693 A 436 THR HG2% A 465 HIS HB3 1.0 2.0 4.5 821 694 A 436 THR HG2% A 465 HIS HB2 1.0 2.0 4.5 822 695 A 436 THR HG2% A 465 HIS HD2 1.0 2.0 4.5 823 696 A 465 HIS HD2 A 436 THR H 1.0 2.5 6.0 824 697 A 437 PRO HA A 438 GLY HAx 1.0 2.0 4.5 825 697 A 437 PRO HA A 438 GLY HAy 1.0 2.0 4.5 826 698 A 437 PRO HA A 438 GLY H 1.0 1.5 3.5 827 699 A 437 PRO HBy A 438 GLY H 1.0 2.5 6.0 828 699 A 438 GLY H A 437 PRO HBx 1.0 2.5 6.0 829 700 A 437 PRO HA A 439 CYS H 1.0 2.0 4.5 830 701 A 439 CYS H A 438 GLY HAx 1.0 2.5 6.0 831 702 A 438 GLY HAy A 439 CYS H 1.0 2.5 6.0 832 703 A 438 GLY H A 439 CYS H 1.0 2.0 4.5 833 704 A 439 CYS HA A 440 GLY H 1.0 1.5 3.5 834 705 A 439 CYS HB3 A 440 GLY H 1.0 2.0 4.5 835 706 A 439 CYS HB2 A 440 GLY H 1.0 2.5 6.0 836 707 A 439 CYS H A 440 GLY H 1.0 2.5 6.0 837 708 A 439 CYS HB2 A 463 HIS HA 1.0 2.0 4.5 838 709 A 439 CYS HA A 464 ASN HD2y 1.0 2.0 4.5 839 709 A 439 CYS HA A 464 ASN HD2x 1.0 2.0 4.5 840 710 A 439 CYS HA A 465 HIS HD2 1.0 2.0 4.5 841 711 A 439 CYS HB3 A 465 HIS HD2 1.0 2.0 4.5 842 712 A 439 CYS HB2 A 465 HIS HD2 1.0 1.5 3.5 843 713 A 465 HIS HD2 A 439 CYS H 1.0 2.5 6.0 844 714 A 441 VAL H A 440 GLY HAy 1.0 2.0 4.5 845 714 A 440 GLY HAx A 441 VAL H 1.0 2.0 4.5 846 715 A 441 VAL HB A 440 GLY H 1.0 2.5 6.0 847 716 A 441 VAL HG2% A 440 GLY H 1.0 2.5 6.0 848 717 A 440 GLY H A 441 VAL H 1.0 2.0 4.5 849 718 A 442 ARG HA A 441 VAL HA 1.0 2.5 6.0 850 719 A 441 VAL HA A 442 ARG HGy 1.0 2.0 4.5 851 719 A 442 ARG HGx A 441 VAL HA 1.0 2.0 4.5 852 720 A 441 VAL HA A 442 ARG H 1.0 1.5 2.8 853 721 A 441 VAL HB A 442 ARG H 1.0 2.5 6.0 854 722 A 441 VAL HG1% A 442 ARG HA 1.0 2.0 4.5 855 723 A 441 VAL HG1% A 442 ARG H 1.0 1.5 3.5 856 724 A 441 VAL HG2% A 442 ARG H 1.0 1.5 3.5 857 725 A 441 VAL HG1% A 443 LYS HA 1.0 2.5 6.0 858 726 A 441 VAL HG1% A 459 TYR HA 1.0 2.5 6.0 859 727 A 441 VAL HG1% A 459 TYR HD% 1.0 1.5 3.5 860 728 A 441 VAL HG1% A 459 TYR HE% 1.0 2.0 4.5 861 729 A 441 VAL HG2% A 459 TYR HD% 1.0 2.5 6.0 862 730 A 441 VAL HA A 460 GLU H 1.0 2.5 6.0 863 731 A 441 VAL HG1% A 460 GLU H 1.0 2.0 4.5 864 732 A 441 VAL HG2% A 460 GLU H 1.0 2.5 6.0 865 733 A 441 VAL HA A 461 GLY HA3 1.0 2.0 4.5 866 733 A 441 VAL HA A 461 GLY HA2 1.0 2.0 4.5 867 734 A 441 VAL HG1% A 461 GLY HA3 1.0 2.5 6.0 868 734 A 441 VAL HG1% A 461 GLY HA2 1.0 2.5 6.0 869 735 A 441 VAL HG2% A 461 GLY HA3 1.0 2.0 4.5 870 736 A 441 VAL HG2% A 461 GLY HA2 1.0 2.0 4.5 871 737 A 441 VAL HG1% A 462 LYS H 1.0 2.5 6.0 872 738 A 441 VAL HG2% A 462 LYS HA 1.0 2.0 4.5 873 739 A 441 VAL HG2% A 462 LYS HB3 1.0 2.5 6.0 874 740 A 441 VAL HG2% A 462 LYS H 1.0 2.0 4.5 875 741 A 463 HIS HE1 A 441 VAL HB 1.0 2.0 4.5 876 742 A 463 HIS HD2 A 441 VAL HG1% 1.0 2.0 4.5 877 743 A 463 HIS HE1 A 441 VAL HG1% 1.0 1.5 3.5 878 744 A 463 HIS HE2 A 441 VAL HG1% 1.0 2.0 4.5 879 745 A 441 VAL HG1% A 463 HIS H 1.0 2.5 6.0 880 746 A 441 VAL HG2% A 463 HIS HA 1.0 1.5 3.5 881 747 A 441 VAL HG2% A 463 HIS HB3 1.0 2.5 6.0 882 748 A 441 VAL HG2% A 463 HIS HB2 1.0 2.0 4.5 883 749 A 441 VAL HG2% A 463 HIS HD2 1.0 2.0 4.5 884 750 A 441 VAL HG2% A 463 HIS HE1 1.0 2.0 4.5 885 751 A 441 VAL HG2% A 463 HIS HE2 1.0 2.5 6.0 886 752 A 441 VAL HG2% A 463 HIS H 1.0 2.0 4.5 887 753 A 441 VAL HG2% A 464 ASN H 1.0 2.0 4.5 888 754 A 441 VAL HG2% A 465 HIS HD2 1.0 2.5 6.0 889 755 A 442 ARG HA A 443 LYS H 1.0 2.0 4.5 890 756 A 460 GLU HB3 A 442 ARG H 1.0 2.0 4.5 891 757 A 442 ARG H A 460 GLU H 1.0 2.0 4.5 892 758 A 443 LYS HA A 444 HIS H 1.0 1.5 3.5 893 759 A 443 LYS HBx A 444 HIS H 1.0 2.5 6.0 894 760 A 444 HIS H A 443 LYS HBy 1.0 2.5 6.0 895 761 A 444 HIS H A 443 LYS HGx 1.0 2.5 6.0 896 762 A 443 LYS HGy A 444 HIS H 1.0 2.5 6.0 897 763 A 445 VAL HG2% A 443 LYS HDy 1.0 2.0 4.5 898 763 A 443 LYS HDx A 445 VAL HG2% 1.0 2.0 4.5 899 764 A 445 VAL HG2% A 443 LYS HEy 1.0 1.5 3.5 900 764 A 445 VAL HG2% A 443 LYS HEx 1.0 1.5 3.5 901 765 A 443 LYS HDx A 445 VAL HG2% 1.0 2.5 6.0 902 766 A 445 VAL HG2% A 443 LYS HDy 1.0 2.5 6.0 903 767 A 445 VAL HG2% A 443 LYS HGx 1.0 2.0 4.5 904 768 A 443 LYS HGy A 445 VAL HG2% 1.0 2.0 4.5 905 769 A 443 LYS HA A 457 THR HG2% 1.0 2.0 4.5 906 770 A 457 THR HG2% A 443 LYS HBy 1.0 2.5 6.0 907 770 A 443 LYS HBx A 457 THR HG2% 1.0 2.5 6.0 908 771 A 457 THR HG2% A 443 LYS HEy 1.0 2.5 6.0 909 771 A 443 LYS HEx A 457 THR HG2% 1.0 2.5 6.0 910 772 A 443 LYS HDx A 457 THR HG2% 1.0 2.0 4.5 911 773 A 457 THR HG2% A 443 LYS HDy 1.0 2.0 4.5 912 774 A 457 THR HG2% A 443 LYS HGx 1.0 2.0 4.5 913 775 A 443 LYS HGy A 457 THR HG2% 1.0 2.0 4.5 914 776 A 443 LYS HA A 459 TYR HA 1.0 2.0 4.5 915 777 A 459 TYR HD% A 443 LYS HA 1.0 2.0 4.5 916 778 A 459 TYR HE% A 443 LYS HA 1.0 2.5 6.0 917 779 A 459 TYR HE% A 443 LYS HBy 1.0 1.5 3.5 918 779 A 443 LYS HBx A 459 TYR HE% 1.0 1.5 3.5 919 780 A 443 LYS HBx A 459 TYR HD% 1.0 2.0 4.5 920 781 A 459 TYR HD% A 443 LYS HBy 1.0 2.0 4.5 921 782 A 443 LYS HDx A 459 TYR HD% 1.0 2.5 6.0 922 783 A 443 LYS HDx A 459 TYR HE% 1.0 2.0 4.5 923 784 A 459 TYR HD% A 443 LYS HDy 1.0 2.5 6.0 924 785 A 459 TYR HE% A 443 LYS HDy 1.0 2.0 4.5 925 786 A 459 TYR HE% A 443 LYS HGx 1.0 2.0 4.5 926 786 A 459 TYR HE% A 443 LYS HGy 1.0 2.0 4.5 927 787 A 459 TYR HE% A 443 LYS HGx 1.0 2.5 6.0 928 788 A 459 TYR HE% A 443 LYS HGy 1.0 2.5 6.0 929 789 A 443 LYS HA A 460 GLU H 1.0 2.5 6.0 930 790 A 444 HIS HA A 445 VAL HG1% 1.0 2.5 6.0 931 791 A 444 HIS HA A 445 VAL HG2% 1.0 2.0 4.5 932 792 A 444 HIS HA A 445 VAL H 1.0 1.5 3.5 933 793 A 457 THR HA A 444 HIS H 1.0 2.5 6.0 934 794 A 457 THR HG2% A 444 HIS H 1.0 2.5 6.0 935 795 A 458 THR HB A 444 HIS H 1.0 2.0 4.5 936 796 A 458 THR HG2% A 444 HIS H 1.0 2.0 4.5 937 797 A 444 HIS H A 458 THR H 1.0 2.0 4.5 938 798 A 459 TYR HA A 444 HIS H 1.0 2.0 4.5 939 799 A 444 HIS H A 460 GLU H 1.0 2.5 6.0 940 800 A 445 VAL HA A 446 GLU H 1.0 1.5 3.5 941 801 A 445 VAL HB A 446 GLU H 1.0 2.5 6.0 942 802 A 445 VAL HG1% A 446 GLU H 1.0 1.5 3.5 943 803 A 445 VAL HG2% A 446 GLU H 1.0 2.0 4.5 944 804 A 445 VAL HG1% A 447 ARG HE 1.0 2.5 6.0 945 805 A 445 VAL HG1% A 447 ARG H 1.0 2.5 6.0 946 806 A 445 VAL HA A 455 VAL HG1% 1.0 2.5 6.0 947 807 A 445 VAL HA A 455 VAL HG2% 1.0 2.5 6.0 948 808 A 445 VAL HG1% A 455 VAL HG1% 1.0 1.5 2.8 949 809 A 457 THR HG2% A 445 VAL HA 1.0 2.5 6.0 950 810 A 445 VAL HG1% A 457 THR HA 1.0 2.5 6.0 951 811 A 445 VAL HG1% A 457 THR HG2% 1.0 1.5 3.5 952 812 A 445 VAL HG2% A 457 THR HA 1.0 2.0 4.5 953 813 A 445 VAL HG2% A 457 THR HG2% 1.0 1.5 3.5 954 814 A 445 VAL HG2% A 458 THR H 1.0 2.0 4.5 955 815 A 446 GLU HA A 447 ARG HBx 1.0 2.0 4.5 956 815 A 447 ARG HBy A 446 GLU HA 1.0 2.0 4.5 957 816 A 446 GLU HA A 447 ARG H 1.0 1.5 3.5 958 817 A 446 GLU HBx A 447 ARG H 1.0 2.5 6.0 959 817 A 447 ARG H A 446 GLU HBy 1.0 2.5 6.0 960 818 A 447 ARG H A 446 GLU HGx 1.0 2.5 6.0 961 818 A 446 GLU HGy A 447 ARG H 1.0 2.5 6.0 962 819 A 455 VAL HG1% A 446 GLU H 1.0 2.0 4.5 963 820 A 446 GLU HA A 456 VAL HG1% 1.0 2.5 6.0 964 821 A 456 VAL HG1% A 446 GLU HGx 1.0 2.0 4.5 965 821 A 446 GLU HGy A 456 VAL HG1% 1.0 2.0 4.5 966 822 A 456 VAL HG2% A 446 GLU HGx 1.0 2.5 6.0 967 822 A 446 GLU HGy A 456 VAL HG2% 1.0 2.5 6.0 968 823 A 456 VAL HG1% A 446 GLU H 1.0 2.0 4.5 969 824 A 446 GLU H A 456 VAL H 1.0 2.0 4.5 970 825 A 457 THR HA A 446 GLU H 1.0 2.0 4.5 971 826 A 447 ARG HA A 448 ALA H 1.0 1.5 3.5 972 827 A 447 ARG HBy A 448 ALA H 1.0 1.5 3.5 973 827 A 448 ALA H A 447 ARG HBx 1.0 1.5 3.5 974 828 A 455 VAL HG2% A 447 ARG HA 1.0 2.5 6.0 975 829 A 455 VAL HG2% A 447 ARG HBx 1.0 2.0 4.5 976 829 A 447 ARG HBy A 455 VAL HG2% 1.0 2.0 4.5 977 830 A 455 VAL HG2% A 447 ARG HDx 1.0 2.5 6.0 978 831 A 447 ARG HDy A 455 VAL HG2% 1.0 2.5 6.0 979 832 A 455 VAL HA A 447 ARG HGy 1.0 2.5 6.0 980 832 A 447 ARG HGx A 455 VAL HA 1.0 2.5 6.0 981 833 A 455 VAL HG1% A 447 ARG HGy 1.0 2.0 4.5 982 833 A 455 VAL HG1% A 447 ARG HGx 1.0 2.0 4.5 983 834 A 455 VAL HG2% A 447 ARG HGy 1.0 1.5 3.5 984 834 A 455 VAL HG2% A 447 ARG HGx 1.0 1.5 3.5 985 835 A 448 ALA HA A 449 ALA H 1.0 1.5 2.8 986 836 A 448 ALA HB% A 449 ALA H 1.0 1.5 3.5 987 837 A 448 ALA H A 449 ALA H 1.0 2.5 6.0 988 838 A 448 ALA HB% A 450 THR H 1.0 1.5 3.5 989 839 A 448 ALA HB% A 451 ASP HBx 1.0 1.5 3.5 990 839 A 448 ALA HB% A 451 ASP HBy 1.0 1.5 3.5 991 840 A 448 ALA HB% A 451 ASP H 1.0 1.5 3.5 992 841 A 448 ALA HB% A 454 ALA HA 1.0 2.5 6.0 993 842 A 448 ALA HB% A 454 ALA HB% 1.0 1.5 2.8 994 843 A 448 ALA HB% A 454 ALA H 1.0 2.0 4.5 995 844 A 454 ALA HB% A 448 ALA H 1.0 2.0 4.5 996 845 A 448 ALA H A 454 ALA H 1.0 2.0 4.5 997 846 A 455 VAL HA A 448 ALA HB% 1.0 2.5 6.0 998 847 A 455 VAL HA A 448 ALA H 1.0 2.0 4.5 999 848 A 455 VAL HG1% A 448 ALA H 1.0 2.5 6.0 1000 849 A 455 VAL HG2% A 448 ALA H 1.0 2.0 4.5 1001 850 A 456 VAL HG1% A 448 ALA HB% 1.0 1.5 3.5 1002 851 A 456 VAL HG1% A 448 ALA H 1.0 2.5 6.0 1003 852 A 449 ALA HA A 450 THR H 1.0 2.0 4.5 1004 853 A 449 ALA HB% A 450 THR HA 1.0 2.0 4.5 1005 854 A 449 ALA HB% A 450 THR HG2% 1.0 1.5 3.5 1006 855 A 449 ALA HB% A 450 THR H 1.0 1.5 3.5 1007 856 A 450 THR HG2% A 449 ALA H 1.0 2.5 6.0 1008 857 A 449 ALA H A 450 THR H 1.0 1.5 3.5 1009 858 A 449 ALA HA A 451 ASP H 1.0 2.0 4.5 1010 859 A 449 ALA H A 451 ASP H 1.0 2.5 6.0 1011 860 A 450 THR HA A 451 ASP H 1.0 2.0 4.5 1012 861 A 450 THR HB A 451 ASP H 1.0 2.5 6.0 1013 862 A 450 THR HG2% A 451 ASP H 1.0 2.5 6.0 1014 863 A 450 THR H A 451 ASP H 1.0 1.5 3.5 1015 864 A 451 ASP HA A 452 PRO HDx 1.0 1.5 3.5 1016 865 A 451 ASP HA A 452 PRO HDy 1.0 1.5 3.5 1017 866 A 451 ASP HA A 452 PRO HGy 1.0 2.0 4.5 1018 866 A 451 ASP HA A 452 PRO HGx 1.0 2.0 4.5 1019 867 A 451 ASP HBy A 452 PRO HDy 1.0 2.0 4.5 1020 867 A 451 ASP HBx A 452 PRO HDy 1.0 2.0 4.5 1021 867 A 452 PRO HDx A 451 ASP HBx 1.0 2.0 4.5 1022 867 A 451 ASP HBy A 452 PRO HDx 1.0 2.0 4.5 1023 868 A 452 PRO HDx A 451 ASP H 1.0 2.0 4.5 1024 868 A 451 ASP H A 452 PRO HDy 1.0 2.0 4.5 1025 869 A 454 ALA H A 451 ASP HBx 1.0 2.0 4.5 1026 869 A 451 ASP HBy A 454 ALA H 1.0 2.0 4.5 1027 870 A 454 ALA HB% A 451 ASP HBx 1.0 1.5 3.5 1028 871 A 451 ASP HBy A 454 ALA HB% 1.0 1.5 3.5 1029 872 A 454 ALA HB% A 451 ASP H 1.0 2.5 6.0 1030 873 A 452 PRO HA A 453 LYS H 1.0 2.0 4.5 1031 874 A 453 LYS H A 452 PRO HBx 1.0 2.0 4.5 1032 874 A 452 PRO HBy A 453 LYS H 1.0 2.0 4.5 1033 875 A 452 PRO HDx A 453 LYS H 1.0 2.0 4.5 1034 875 A 453 LYS H A 452 PRO HDy 1.0 2.0 4.5 1035 876 A 453 LYS H A 452 PRO HGy 1.0 2.0 4.5 1036 876 A 452 PRO HGx A 453 LYS H 1.0 2.0 4.5 1037 877 A 453 LYS HA A 454 ALA H 1.0 2.0 4.5 1038 878 A 454 ALA H A 453 LYS HBy 1.0 2.0 4.5 1039 878 A 453 LYS HBx A 454 ALA H 1.0 2.0 4.5 1040 879 A 453 LYS H A 454 ALA H 1.0 1.5 3.5 1041 880 A 455 VAL HG1% A 454 ALA HA 1.0 2.5 6.0 1042 881 A 455 VAL HG2% A 454 ALA HA 1.0 2.0 4.5 1043 882 A 454 ALA HA A 455 VAL H 1.0 1.5 3.5 1044 883 A 455 VAL HG2% A 454 ALA HB% 1.0 2.5 6.0 1045 884 A 454 ALA HB% A 455 VAL H 1.0 1.5 3.5 1046 885 A 455 VAL HG2% A 454 ALA H 1.0 2.5 6.0 1047 886 A 456 VAL HG1% A 454 ALA HB% 1.0 2.0 4.5 1048 887 A 455 VAL HA A 456 VAL HB 1.0 2.5 6.0 1049 888 A 455 VAL HA A 456 VAL H 1.0 2.0 4.5 1050 889 A 455 VAL HB A 456 VAL H 1.0 2.5 6.0 1051 890 A 455 VAL HG1% A 456 VAL H 1.0 2.0 4.5 1052 891 A 455 VAL HG2% A 456 VAL H 1.0 2.0 4.5 1053 892 A 456 VAL HA A 457 THR H 1.0 1.5 2.8 1054 893 A 456 VAL HB A 457 THR H 1.0 1.5 3.5 1055 894 A 456 VAL HG1% A 457 THR H 1.0 2.0 4.5 1056 895 A 457 THR HA A 456 VAL HG2% 1.0 2.5 6.0 1057 896 A 456 VAL HG2% A 457 THR H 1.0 1.5 3.5 1058 897 A 457 THR HA A 458 THR H 1.0 1.5 3.5 1059 898 A 457 THR HB A 458 THR H 1.0 2.0 4.5 1060 899 A 457 THR HG2% A 458 THR H 1.0 1.5 3.5 1061 900 A 459 TYR HD% A 457 THR HB 1.0 2.5 6.0 1062 901 A 459 TYR HE% A 457 THR HB 1.0 2.5 6.0 1063 902 A 459 TYR HD% A 457 THR HG2% 1.0 2.0 4.5 1064 903 A 459 TYR HE% A 457 THR HG2% 1.0 1.5 3.5 1065 904 A 459 TYR HD% A 458 THR HA 1.0 2.0 4.5 1066 905 A 458 THR HA A 459 TYR H 1.0 1.5 2.8 1067 906 A 458 THR HB A 459 TYR H 1.0 2.0 4.5 1068 907 A 459 TYR HA A 458 THR HG2% 1.0 2.5 6.0 1069 908 A 459 TYR HD% A 458 THR HG2% 1.0 2.5 6.0 1070 909 A 458 THR HG2% A 459 TYR H 1.0 1.5 3.5 1071 910 A 458 THR H A 459 TYR H 1.0 2.0 4.5 1072 911 A 458 THR HG2% A 460 GLU HGx 1.0 2.0 4.5 1073 911 A 458 THR HG2% A 460 GLU HGy 1.0 2.0 4.5 1074 912 A 459 TYR HA A 460 GLU H 1.0 1.5 3.5 1075 913 A 459 TYR HB3 A 460 GLU H 1.0 2.0 4.5 1076 914 A 459 TYR HD% A 460 GLU H 1.0 2.0 4.5 1077 915 A 460 GLU HA A 461 GLY HA3 1.0 2.5 6.0 1078 915 A 461 GLY HA2 A 460 GLU HA 1.0 2.5 6.0 1079 916 A 460 GLU HA A 461 GLY H 1.0 1.5 2.8 1080 917 A 460 GLU HB3 A 461 GLY H 1.0 2.0 4.5 1081 918 A 461 GLY H A 460 GLU HGx 1.0 2.0 4.5 1082 918 A 460 GLU HGy A 461 GLY H 1.0 2.0 4.5 1083 919 A 460 GLU H A 461 GLY H 1.0 2.5 6.0 1084 920 A 462 LYS HA A 461 GLY HA3 1.0 2.5 6.0 1085 920 A 461 GLY HA2 A 462 LYS HA 1.0 2.5 6.0 1086 921 A 462 LYS H A 461 GLY HA3 1.0 1.5 3.5 1087 922 A 461 GLY HA2 A 462 LYS H 1.0 1.5 3.5 1088 923 A 461 GLY H A 462 LYS H 1.0 2.0 4.5 1089 924 A 463 HIS HD2 A 462 LYS HA 1.0 2.0 4.5 1090 925 A 462 LYS HA A 463 HIS H 1.0 1.5 3.5 1091 926 A 462 LYS HB3 A 463 HIS H 1.0 2.0 4.5 1092 927 A 462 LYS HB2 A 463 HIS H 1.0 2.0 4.5 1093 928 A 462 LYS HGx A 463 HIS H 1.0 2.0 4.5 1094 929 A 462 LYS HGy A 463 HIS H 1.0 2.0 4.5 1095 930 A 463 HIS HA A 464 ASN H 1.0 1.5 3.5 1096 931 A 463 HIS HB3 A 464 ASN H 1.0 2.0 4.5 1097 932 A 463 HIS HB2 A 464 ASN H 1.0 2.0 4.5 1098 933 A 465 HIS HD2 A 463 HIS HA 1.0 2.0 4.5 1099 934 A 463 HIS HA A 465 HIS H 1.0 2.0 4.5 1100 935 A 463 HIS HB3 A 465 HIS HD2 1.0 2.0 4.5 1101 936 A 463 HIS HB3 A 465 HIS H 1.0 2.0 4.5 1102 937 A 463 HIS HB2 A 465 HIS H 1.0 2.0 4.5 1103 938 A 465 HIS HD2 A 464 ASN HA 1.0 2.5 6.0 1104 939 A 464 ASN HA A 465 HIS H 1.0 2.0 4.5 1105 940 A 464 ASN HBx A 465 HIS H 1.0 2.0 4.5 1106 940 A 465 HIS H A 464 ASN HBy 1.0 2.0 4.5 1107 941 A 465 HIS HD2 A 464 ASN H 1.0 1.5 3.5 1108 942 A 464 ASN H A 465 HIS H 1.0 2.0 4.5 1109 943 A 465 HIS HA A 466 ASP H 1.0 1.5 3.5 1110 944 A 465 HIS HB3 A 466 ASP H 1.0 2.0 4.5 1111 945 A 465 HIS HB2 A 466 ASP H 1.0 2.0 4.5 1112 946 A 465 HIS HE1 A 467 LEU HA 1.0 2.5 6.0 1113 947 A 467 LEU HDx% A 465 HIS HE1 1.0 2.5 6.0 1114 948 A 465 HIS HE1 A 467 LEU HDy% 1.0 2.5 6.0 1115 949 A 465 HIS HE1 A 468 PRO HDx 1.0 2.0 4.5 1116 950 A 465 HIS HE1 A 468 PRO HDy 1.0 2.0 4.5 1117 951 A 465 HIS HE1 A 468 PRO HGx 1.0 2.0 4.5 1118 951 A 465 HIS HE1 A 468 PRO HGy 1.0 2.0 4.5 1119 952 A 466 ASP HA A 467 LEU H 1.0 1.5 3.5 1120 953 A 466 ASP HB3 A 467 LEU H 1.0 1.5 3.5 1121 954 A 466 ASP HB2 A 467 LEU H 1.0 2.0 4.5 1122 955 A 466 ASP H A 467 LEU H 1.0 2.5 6.0 1123 956 A 467 LEU HA A 468 PRO HDy 1.0 1.5 2.8 1124 956 A 467 LEU HA A 468 PRO HDx 1.0 1.5 2.8 1125 957 A 467 LEU HA A 468 PRO HGx 1.0 2.0 4.5 1126 957 A 467 LEU HA A 468 PRO HGy 1.0 2.0 4.5 1127 958 A 468 PRO HDx A 467 LEU HB3 1.0 2.0 4.5 1128 959 A 467 LEU HB3 A 468 PRO HDy 1.0 2.0 4.5 1129 960 A 468 PRO HDx A 467 LEU HB2 1.0 2.5 6.0 1130 961 A 467 LEU HB2 A 468 PRO HDy 1.0 2.5 6.0 1131 962 A 467 LEU HDx% A 468 PRO HDy 1.0 2.0 4.5 1132 962 A 467 LEU HDy% A 468 PRO HDy 1.0 2.0 4.5 1133 962 A 468 PRO HDx A 467 LEU HDy% 1.0 2.0 4.5 1134 962 A 467 LEU HDx% A 468 PRO HDx 1.0 2.0 4.5 1135 963 A 467 LEU HDy% A 468 PRO HGx 1.0 2.5 6.0 1136 963 A 467 LEU HDx% A 468 PRO HGx 1.0 2.5 6.0 1137 963 A 468 PRO HGy A 467 LEU HDy% 1.0 2.5 6.0 1138 963 A 467 LEU HDx% A 468 PRO HGy 1.0 2.5 6.0 1139 964 A 467 LEU HDx% A 468 PRO HDx 1.0 1.5 3.5 1140 964 A 467 LEU HDx% A 468 PRO HDy 1.0 1.5 3.5 1141 965 A 468 PRO HDx A 467 LEU HDy% 1.0 1.5 3.5 1142 965 A 467 LEU HDy% A 468 PRO HDy 1.0 1.5 3.5 1143 966 A 468 PRO HDx A 467 LEU H 1.0 2.5 6.0 1144 966 A 467 LEU H A 468 PRO HDy 1.0 2.5 6.0 1145 967 A 468 PRO HA A 469 ALA H 1.0 1.5 2.8 1146 968 A 469 ALA H A 468 PRO HBy 1.0 2.0 4.5 1147 969 A 469 ALA H A 468 PRO HBx 1.0 2.0 4.5 1148 970 A 469 ALA H A 468 PRO HDy 1.0 2.5 6.0 1149 970 A 468 PRO HDx A 469 ALA H 1.0 2.5 6.0 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _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 434 CYS SG D 1 ZN ZN 1.0 2.25 2.35 2 2 D 1 ZN ZN A 439 CYS SG 1.0 2.25 2.35 3 3 D 1 ZN ZN A 463 HIS ND1 1.0 1.95 2.05 4 4 D 1 ZN ZN A 465 HIS NE2 1.0 1.95 2.05 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 hbond _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 433 LYS O A 415 ARG N 1.0 2.5 3.5 2 2 A 433 LYS O A 415 ARG H 1.0 1.5 2.5 3 3 A 431 TYR O A 417 TYR N 1.0 2.5 3.5 4 4 A 431 TYR O A 417 TYR H 1.0 1.5 2.5 5 5 A 427 TYR O A 422 VAL N 1.0 2.5 3.5 6 6 A 427 TYR O A 422 VAL H 1.0 1.5 2.5 7 7 A 422 VAL O A 427 TYR N 1.0 2.5 3.5 8 8 A 422 VAL O A 427 TYR H 1.0 1.5 2.5 9 9 A 420 LYS O A 429 ARG N 1.0 2.5 3.5 10 10 A 420 LYS O A 429 ARG H 1.0 1.5 2.5 11 11 A 445 VAL O A 430 SER N 1.0 2.5 3.5 12 12 A 445 VAL O A 430 SER H 1.0 1.5 2.5 13 13 A 417 TYR O A 431 TYR N 1.0 2.5 3.5 14 14 A 417 TYR O A 431 TYR H 1.0 1.5 2.5 15 15 A 443 LYS O A 432 TYR N 1.0 2.5 3.5 16 16 A 443 LYS O A 432 TYR H 1.0 1.5 2.5 17 17 A 415 ARG O A 433 LYS N 1.0 2.5 3.5 18 18 A 415 ARG O A 433 LYS H 1.0 1.5 2.5 19 19 A 441 VAL O A 434 CYS N 1.0 2.5 3.5 20 20 A 441 VAL O A 434 CYS H 1.0 1.5 2.5 21 21 A 413 ARG O A 435 THR N 1.0 2.5 3.5 22 22 A 413 ARG O A 435 THR H 1.0 1.5 2.5 23 23 A 439 CYS O A 436 THR N 1.0 2.5 3.5 24 24 A 439 CYS O A 436 THR H 1.0 1.5 2.5 25 25 A 434 CYS O A 441 VAL N 1.0 2.5 3.5 26 26 A 434 CYS O A 441 VAL H 1.0 1.5 2.5 27 27 A 460 GLU O A 442 ARG N 1.0 2.5 3.5 28 28 A 460 GLU O A 442 ARG H 1.0 1.5 2.5 29 29 A 432 TYR O A 443 LYS N 1.0 2.5 3.5 30 30 A 432 TYR O A 443 LYS H 1.0 1.5 2.5 31 31 A 458 THR O A 444 HIS N 1.0 2.5 3.5 32 32 A 458 THR O A 444 HIS H 1.0 1.5 2.5 33 33 A 430 SER O A 445 VAL N 1.0 2.5 3.5 34 34 A 430 SER O A 445 VAL H 1.0 1.5 2.5 35 35 A 456 VAL O A 446 GLU N 1.0 2.5 3.5 36 36 A 456 VAL O A 446 GLU H 1.0 1.5 2.5 37 37 A 446 GLU O A 456 VAL N 1.0 2.5 3.5 38 38 A 446 GLU O A 456 VAL H 1.0 1.5 2.5 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.restraint_origin hbond _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 B 3 DC N4 C 30 DG O6 1.0 2.5 3.5 2 2 B 3 DC H4x C 30 DG O6 1.0 1.5 2.5 3 3 B 3 DC N3 C 30 DG N1 1.0 2.5 3.5 4 4 C 30 DG H1 B 3 DC N3 1.0 1.5 2.5 5 5 B 3 DC O2 C 30 DG N2 1.0 2.5 3.5 6 6 B 3 DC O2 C 30 DG H2x 1.0 1.5 2.5 7 7 B 4 DC N4 C 29 DG O6 1.0 2.5 3.5 8 8 B 4 DC H41 C 29 DG O6 1.0 1.5 2.5 9 9 B 4 DC N3 C 29 DG N1 1.0 2.5 3.5 10 10 C 29 DG H1 B 4 DC N3 1.0 1.5 2.5 11 11 B 4 DC O2 C 29 DG N2 1.0 2.5 3.5 12 12 B 4 DC O2 C 29 DG H2x 1.0 1.5 2.5 13 13 B 5 DT O4 C 28 DA N6 1.0 2.5 3.5 14 14 B 5 DT O4 C 28 DA H6x 1.0 1.5 2.5 15 15 C 28 DA N1 B 5 DT N3 1.0 2.5 3.5 16 16 C 28 DA N1 B 5 DT H3 1.0 1.5 2.5 17 17 B 6 DT O4 C 27 DA N6 1.0 2.5 3.5 18 18 B 6 DT O4 C 27 DA H6x 1.0 1.5 2.5 19 19 C 27 DA N1 B 6 DT N3 1.0 2.5 3.5 20 20 C 27 DA N1 B 6 DT H3 1.0 1.5 2.5 21 21 B 7 DT O4 C 26 DA N6 1.0 2.5 3.5 22 22 B 7 DT O4 C 26 DA H6x 1.0 1.5 2.5 23 23 C 26 DA N1 B 7 DT N3 1.0 2.5 3.5 24 24 C 26 DA N1 B 7 DT H3 1.0 1.5 2.5 25 25 B 8 DG O6 C 25 DC N4 1.0 2.5 3.5 26 26 C 25 DC H41 B 8 DG O6 1.0 1.5 2.5 27 27 B 8 DG N1 C 25 DC N3 1.0 2.5 3.5 28 28 B 8 DG H1 C 25 DC N3 1.0 1.5 2.5 29 29 B 8 DG N2 C 25 DC O2 1.0 2.5 3.5 30 30 C 25 DC O2 B 8 DG H2x 1.0 1.5 2.5 31 31 B 9 DA N6 C 24 DT O4 1.0 2.5 3.5 32 32 C 24 DT O4 B 9 DA H6x 1.0 1.5 2.5 33 33 B 9 DA N1 C 24 DT N3 1.0 2.5 3.5 34 34 B 9 DA N1 C 24 DT H3 1.0 1.5 2.5 35 35 B 10 DC N4 C 23 DG O6 1.0 2.5 3.5 36 36 B 10 DC H41 C 23 DG O6 1.0 1.5 2.5 37 37 B 10 DC N3 C 23 DG N1 1.0 2.5 3.5 38 38 C 23 DG H1 B 10 DC N3 1.0 1.5 2.5 39 39 B 10 DC O2 C 23 DG N2 1.0 2.5 3.5 40 40 B 10 DC O2 C 23 DG H2y 1.0 1.5 2.5 41 41 B 11 DC N4 C 22 DG O6 1.0 2.5 3.5 42 42 B 11 DC H41 C 22 DG O6 1.0 1.5 2.5 43 43 B 11 DC N3 C 22 DG N1 1.0 2.5 3.5 44 44 C 22 DG H1 B 11 DC N3 1.0 1.5 2.5 45 45 B 11 DC O2 C 22 DG N2 1.0 2.5 3.5 46 46 B 11 DC O2 C 22 DG H2y 1.0 1.5 2.5 47 47 B 12 DA N6 C 21 DT O4 1.0 2.5 3.5 48 48 C 21 DT O4 B 12 DA H6x 1.0 1.5 2.5 49 49 B 12 DA N1 C 21 DT N3 1.0 2.5 3.5 50 50 B 12 DA N1 C 21 DT H3 1.0 1.5 2.5 stop_ save_ save_CNS/XPLOR_dihedral_6 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_6 _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 413 ARG C A 414 TRP N A 414 TRP CA A 414 TRP C 1.0 -174.9 -110.5 PHI 2 2 A 414 TRP N A 414 TRP CA A 414 TRP C A 415 ARG N 1.0 138.2 178.2 PSI 3 3 A 414 TRP C A 415 ARG N A 415 ARG CA A 415 ARG C 1.0 -166.6 -66.6 PHI 4 4 A 415 ARG N A 415 ARG CA A 415 ARG C A 416 LYS N 1.0 96.4 139.0 PSI 5 5 A 419 GLN C A 420 LYS N A 420 LYS CA A 420 LYS C 1.0 -169.9 -94.1 PHI 6 6 A 420 LYS N A 420 LYS CA A 420 LYS C A 421 VAL N 1.0 131.6 181.0 PSI 7 7 A 420 LYS C A 421 VAL N A 421 VAL CA A 421 VAL C 1.0 -115.0 -64.6 PHI 8 8 A 421 VAL N A 421 VAL CA A 421 VAL C A 422 VAL N 1.0 113.2 153.2 PSI 9 9 A 421 VAL C A 422 VAL N A 422 VAL CA A 422 VAL C 1.0 -157.3 -71.7 PHI 10 10 A 422 VAL N A 422 VAL CA A 422 VAL C A 423 LYS N 1.0 124.9 183.1 PSI 11 11 A 424 GLY C A 425 ASN N A 425 ASN CA A 425 ASN C 1.0 -160.0 -75.2 PHI 12 12 A 425 ASN N A 425 ASN CA A 425 ASN C A 426 PRO N 1.0 34.5 162.1 PSI 13 13 A 427 TYR C A 428 PRO N A 428 PRO CA A 428 PRO C 1.0 -83.2 -43.2 PHI 14 14 A 428 PRO N A 428 PRO CA A 428 PRO C A 429 ARG N 1.0 125.3 165.3 PSI 15 15 A 428 PRO C A 429 ARG N A 429 ARG CA A 429 ARG C 1.0 -184.3 -52.9 PHI 16 16 A 429 ARG N A 429 ARG CA A 429 ARG C A 430 SER N 1.0 105.3 184.5 PSI 17 17 A 432 TYR C A 433 LYS N A 433 LYS CA A 433 LYS C 1.0 -166.2 -103.0 PHI 18 18 A 433 LYS N A 433 LYS CA A 433 LYS C A 434 CYS N 1.0 116.9 163.1 PSI 19 19 A 434 CYS C A 435 THR N A 435 THR CA A 435 THR C 1.0 -161.0 -35.6 PHI 20 20 A 435 THR N A 435 THR CA A 435 THR C A 436 THR N 1.0 98.9 177.9 PSI 21 21 A 441 VAL C A 442 ARG N A 442 ARG CA A 442 ARG C 1.0 -178.1 -83.9 PHI 22 22 A 442 ARG N A 442 ARG CA A 442 ARG C A 443 LYS N 1.0 134.4 177.8 PSI 23 23 A 442 ARG C A 443 LYS N A 443 LYS CA A 443 LYS C 1.0 -169.3 -92.5 PHI 24 24 A 443 LYS N A 443 LYS CA A 443 LYS C A 444 HIS N 1.0 130.8 170.8 PSI 25 25 A 443 LYS C A 444 HIS N A 444 HIS CA A 444 HIS C 1.0 -158.0 -112.4 PHI 26 26 A 444 HIS N A 444 HIS CA A 444 HIS C A 445 VAL N 1.0 130.8 172.2 PSI 27 27 A 444 HIS C A 445 VAL N A 445 VAL CA A 445 VAL C 1.0 -174.5 -89.5 PHI 28 28 A 445 VAL N A 445 VAL CA A 445 VAL C A 446 GLU N 1.0 122.0 164.8 PSI 29 29 A 445 VAL C A 446 GLU N A 446 GLU CA A 446 GLU C 1.0 -166.5 -92.9 PHI 30 30 A 446 GLU N A 446 GLU CA A 446 GLU C A 447 ARG N 1.0 131.6 171.6 PSI 31 31 A 448 ALA C A 449 ALA N A 449 ALA CA A 449 ALA C 1.0 -83.4 -43.4 PHI 32 32 A 449 ALA N A 449 ALA CA A 449 ALA C A 450 THR N 1.0 -51.9 1.9 PSI 33 33 A 449 ALA C A 450 THR N A 450 THR CA A 450 THR C 1.0 -142.9 -64.1 PHI 34 34 A 450 THR N A 450 THR CA A 450 THR C A 451 ASP N 1.0 -56.7 43.3 PSI 35 35 A 452 PRO C A 453 LYS N A 453 LYS CA A 453 LYS C 1.0 -113.1 -52.1 PHI 36 36 A 453 LYS N A 453 LYS CA A 453 LYS C A 454 ALA N 1.0 -43.8 9.6 PSI 37 37 A 455 VAL C A 456 VAL N A 456 VAL CA A 456 VAL C 1.0 -135.8 -84.8 PHI 38 38 A 456 VAL N A 456 VAL CA A 456 VAL C A 457 THR N 1.0 102.9 142.9 PSI 39 39 A 456 VAL C A 457 THR N A 457 THR CA A 457 THR C 1.0 -132.2 -92.2 PHI 40 40 A 457 THR N A 457 THR CA A 457 THR C A 458 THR N 1.0 104.3 156.3 PSI 41 41 A 457 THR C A 458 THR N A 458 THR CA A 458 THR C 1.0 -175.6 -72.4 PHI 42 42 A 458 THR N A 458 THR CA A 458 THR C A 459 TYR N 1.0 127.3 182.5 PSI 43 43 A 458 THR C A 459 TYR N A 459 TYR CA A 459 TYR C 1.0 -176.5 -80.1 PHI 44 44 A 459 TYR N A 459 TYR CA A 459 TYR C A 460 GLU N 1.0 105.7 180.7 PSI 45 45 A 461 GLY C A 462 LYS N A 462 LYS CA A 462 LYS C 1.0 -157.1 -78.5 PHI 46 46 A 462 LYS N A 462 LYS CA A 462 LYS C A 463 HIS N 1.0 90.4 186.8 PSI 47 47 A 462 LYS C A 463 HIS N A 463 HIS CA A 463 HIS C 1.0 -151.4 -21.4 PHI 48 48 A 463 HIS N A 463 HIS CA A 463 HIS C A 464 ASN N 1.0 76.6 174.0 PSI stop_ save_ save_CNS/XPLOR_dihedral_7 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_7 _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 B 3 DC O3' B 4 DC P B 4 DC O5' B 4 DC C5' 1.0 -90.0 -30.0 ALPHA 2 2 B 4 DC O3' B 5 DT P B 5 DT O5' B 5 DT C5' 1.0 -90.0 -30.0 ALPHA 3 3 B 5 DT O3' B 6 DT P B 6 DT O5' B 6 DT C5' 1.0 -90.0 -30.0 ALPHA 4 4 B 6 DT O3' B 7 DT P B 7 DT O5' B 7 DT C5' 1.0 -90.0 -30.0 ALPHA 5 5 B 7 DT O3' B 8 DG P B 8 DG O5' B 8 DG C5' 1.0 -90.0 -30.0 ALPHA 6 6 B 8 DG O3' B 9 DA P B 9 DA O5' B 9 DA C5' 1.0 -90.0 -30.0 ALPHA 7 7 B 9 DA O3' B 10 DC P B 10 DC O5' B 10 DC C5' 1.0 -90.0 -30.0 ALPHA 8 8 B 10 DC O3' B 11 DC P B 11 DC O5' B 11 DC C5' 1.0 -90.0 -30.0 ALPHA 9 9 B 11 DC O3' B 12 DA P B 12 DA O5' B 12 DA C5' 1.0 -90.0 -30.0 ALPHA 10 10 C 21 DT O3' C 22 DG P C 22 DG O5' C 22 DG C5' 1.0 -90.0 -30.0 ALPHA 11 11 C 22 DG O3' C 23 DG P C 23 DG O5' C 23 DG C5' 1.0 -90.0 -30.0 ALPHA 12 12 C 23 DG O3' C 24 DT P C 24 DT O5' C 24 DT C5' 1.0 -90.0 -30.0 ALPHA 13 13 C 24 DT O3' C 25 DC P C 25 DC O5' C 25 DC C5' 1.0 -90.0 -30.0 ALPHA 14 14 C 25 DC O3' C 26 DA P C 26 DA O5' C 26 DA C5' 1.0 -90.0 -30.0 ALPHA 15 15 C 26 DA O3' C 27 DA P C 27 DA O5' C 27 DA C5' 1.0 -90.0 -30.0 ALPHA 16 16 C 27 DA O3' C 28 DA P C 28 DA O5' C 28 DA C5' 1.0 -90.0 -30.0 ALPHA 17 17 C 28 DA O3' C 29 DG P C 29 DG O5' C 29 DG C5' 1.0 -90.0 -30.0 ALPHA 18 18 C 29 DG O3' C 30 DG P C 30 DG O5' C 30 DG C5' 1.0 -90.0 -30.0 ALPHA 19 19 B 3 DC P B 3 DC O5' B 3 DC C5' B 3 DC C4' 1.0 150.0 210.0 BETA 20 20 B 4 DC P B 4 DC O5' B 4 DC C5' B 4 DC C4' 1.0 150.0 210.0 BETA 21 21 B 5 DT P B 5 DT O5' B 5 DT C5' B 5 DT C4' 1.0 150.0 210.0 BETA 22 22 B 6 DT P B 6 DT O5' B 6 DT C5' B 6 DT C4' 1.0 150.0 210.0 BETA 23 23 B 7 DT P B 7 DT O5' B 7 DT C5' B 7 DT C4' 1.0 150.0 210.0 BETA 24 24 B 8 DG P B 8 DG O5' B 8 DG C5' B 8 DG C4' 1.0 150.0 210.0 BETA 25 25 B 9 DA P B 9 DA O5' B 9 DA C5' B 9 DA C4' 1.0 150.0 210.0 BETA 26 26 B 10 DC P B 10 DC O5' B 10 DC C5' B 10 DC C4' 1.0 150.0 210.0 BETA 27 27 B 11 DC P B 11 DC O5' B 11 DC C5' B 11 DC C4' 1.0 150.0 210.0 BETA 28 28 B 12 DA P B 12 DA O5' B 12 DA C5' B 12 DA C4' 1.0 150.0 210.0 BETA 29 29 C 21 DT P C 21 DT O5' C 21 DT C5' C 21 DT C4' 1.0 150.0 210.0 BETA 30 30 C 22 DG P C 22 DG O5' C 22 DG C5' C 22 DG C4' 1.0 150.0 210.0 BETA 31 31 C 23 DG P C 23 DG O5' C 23 DG C5' C 23 DG C4' 1.0 150.0 210.0 BETA 32 32 C 24 DT P C 24 DT O5' C 24 DT C5' C 24 DT C4' 1.0 150.0 210.0 BETA 33 33 C 25 DC P C 25 DC O5' C 25 DC C5' C 25 DC C4' 1.0 150.0 210.0 BETA 34 34 C 26 DA P C 26 DA O5' C 26 DA C5' C 26 DA C4' 1.0 150.0 210.0 BETA 35 35 C 27 DA P C 27 DA O5' C 27 DA C5' C 27 DA C4' 1.0 150.0 210.0 BETA 36 36 C 28 DA P C 28 DA O5' C 28 DA C5' C 28 DA C4' 1.0 150.0 210.0 BETA 37 37 C 29 DG P C 29 DG O5' C 29 DG C5' C 29 DG C4' 1.0 150.0 210.0 BETA 38 38 C 30 DG P C 30 DG O5' C 30 DG C5' C 30 DG C4' 1.0 150.0 210.0 BETA 39 39 B 3 DC C4' B 3 DC C3' B 3 DC O3' B 4 DC P 1.0 -210.0 -60.0 EPSILON 40 40 B 4 DC C4' B 4 DC C3' B 4 DC O3' B 5 DT P 1.0 -210.0 -60.0 EPSILON 41 41 B 5 DT C4' B 5 DT C3' B 5 DT O3' B 6 DT P 1.0 -210.0 -60.0 EPSILON 42 42 B 6 DT C4' B 6 DT C3' B 6 DT O3' B 7 DT P 1.0 -210.0 -60.0 EPSILON 43 43 B 7 DT C4' B 7 DT C3' B 7 DT O3' B 8 DG P 1.0 -210.0 -60.0 EPSILON 44 44 B 8 DG C4' B 8 DG C3' B 8 DG O3' B 9 DA P 1.0 -210.0 -60.0 EPSILON 45 45 B 9 DA C4' B 9 DA C3' B 9 DA O3' B 10 DC P 1.0 -210.0 -60.0 EPSILON 46 46 B 10 DC C4' B 10 DC C3' B 10 DC O3' B 11 DC P 1.0 -210.0 -60.0 EPSILON 47 47 B 11 DC C4' B 11 DC C3' B 11 DC O3' B 12 DA P 1.0 -210.0 -60.0 EPSILON 48 48 C 21 DT C4' C 21 DT C3' C 21 DT O3' C 22 DG P 1.0 -210.0 -60.0 EPSILON 49 49 C 22 DG C4' C 22 DG C3' C 22 DG O3' C 23 DG P 1.0 -210.0 -60.0 EPSILON 50 50 C 23 DG C4' C 23 DG C3' C 23 DG O3' C 24 DT P 1.0 -210.0 -60.0 EPSILON 51 51 C 24 DT C4' C 24 DT C3' C 24 DT O3' C 25 DC P 1.0 -210.0 -60.0 EPSILON 52 52 C 25 DC C4' C 25 DC C3' C 25 DC O3' C 26 DA P 1.0 -210.0 -60.0 EPSILON 53 53 C 26 DA C4' C 26 DA C3' C 26 DA O3' C 27 DA P 1.0 -210.0 -60.0 EPSILON 54 54 C 27 DA C4' C 27 DA C3' C 27 DA O3' C 28 DA P 1.0 -210.0 -60.0 EPSILON 55 55 C 28 DA C4' C 28 DA C3' C 28 DA O3' C 29 DG P 1.0 -210.0 -60.0 EPSILON 56 56 C 29 DG C4' C 29 DG C3' C 29 DG O3' C 30 DG P 1.0 -210.0 -60.0 EPSILON 57 57 B 3 DC C3' B 3 DC O3' B 4 DC P B 4 DC O5' 1.0 -120.0 -60.0 ZETA 58 58 B 4 DC C3' B 4 DC O3' B 5 DT P B 5 DT O5' 1.0 -120.0 -60.0 ZETA 59 59 B 5 DT C3' B 5 DT O3' B 6 DT P B 6 DT O5' 1.0 -120.0 -60.0 ZETA 60 60 B 6 DT C3' B 6 DT O3' B 7 DT P B 7 DT O5' 1.0 -120.0 -60.0 ZETA 61 61 B 7 DT C3' B 7 DT O3' B 8 DG P B 8 DG O5' 1.0 -120.0 -60.0 ZETA 62 62 B 8 DG C3' B 8 DG O3' B 9 DA P B 9 DA O5' 1.0 -120.0 -60.0 ZETA 63 63 B 9 DA C3' B 9 DA O3' B 10 DC P B 10 DC O5' 1.0 -120.0 -60.0 ZETA 64 64 B 10 DC C3' B 10 DC O3' B 11 DC P B 11 DC O5' 1.0 -120.0 -60.0 ZETA 65 65 B 11 DC C3' B 11 DC O3' B 12 DA P B 12 DA O5' 1.0 -120.0 -60.0 ZETA 66 66 C 21 DT C3' C 21 DT O3' C 22 DG P C 22 DG O5' 1.0 -120.0 -60.0 ZETA 67 67 C 22 DG C3' C 22 DG O3' C 23 DG P C 23 DG O5' 1.0 -120.0 -60.0 ZETA 68 68 C 23 DG C3' C 23 DG O3' C 24 DT P C 24 DT O5' 1.0 -120.0 -60.0 ZETA 69 69 C 24 DT C3' C 24 DT O3' C 25 DC P C 25 DC O5' 1.0 -120.0 -60.0 ZETA 70 70 C 25 DC C3' C 25 DC O3' C 26 DA P C 26 DA O5' 1.0 -120.0 -60.0 ZETA 71 71 C 26 DA C3' C 26 DA O3' C 27 DA P C 27 DA O5' 1.0 -120.0 -60.0 ZETA 72 72 C 27 DA C3' C 27 DA O3' C 28 DA P C 28 DA O5' 1.0 -120.0 -60.0 ZETA 73 73 C 28 DA C3' C 28 DA O3' C 29 DG P C 29 DG O5' 1.0 -120.0 -60.0 ZETA 74 74 C 29 DG C3' C 29 DG O3' C 30 DG P C 30 DG O5' 1.0 -120.0 -60.0 ZETA stop_ save_ save_CNS/XPLOR_dipolar_coupling_8 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_8 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 409 ASP N A 409 ASP H 1.0 . . . 2 2 A 411 GLY N A 411 GLY H 1.0 . . . 3 3 A 412 TYR N A 412 TYR H 1.0 . . . 4 4 A 413 ARG N A 413 ARG H 1.0 . . . 5 5 A 414 TRP N A 414 TRP H 1.0 . . . 6 6 A 415 ARG N A 415 ARG H 1.0 . . . 7 7 A 417 TYR N A 417 TYR H 1.0 . . . 8 8 A 418 GLY N A 418 GLY H 1.0 . . . 9 9 A 419 GLN N A 419 GLN H 1.0 . . . 10 10 A 420 LYS N A 420 LYS H 1.0 . . . 11 11 A 421 VAL N A 421 VAL H 1.0 . . . 12 12 A 422 VAL N A 422 VAL H 1.0 . . . 13 13 A 423 LYS N A 423 LYS H 1.0 . . . 14 14 A 424 GLY N A 424 GLY H 1.0 . . . 15 15 A 425 ASN N A 425 ASN H 1.0 . . . 16 16 A 427 TYR N A 427 TYR H 1.0 . . . 17 17 A 429 ARG N A 429 ARG H 1.0 . . . 18 18 A 430 SER N A 430 SER H 1.0 . . . 19 19 A 431 TYR N A 431 TYR H 1.0 . . . 20 20 A 432 TYR N A 432 TYR H 1.0 . . . 21 21 A 433 LYS N A 433 LYS H 1.0 . . . 22 22 A 434 CYS N A 434 CYS H 1.0 . . . 23 23 A 435 THR N A 435 THR H 1.0 . . . 24 24 A 436 THR N A 436 THR H 1.0 . . . 25 25 A 438 GLY N A 438 GLY H 1.0 . . . 26 26 A 439 CYS N A 439 CYS H 1.0 . . . 27 27 A 440 GLY N A 440 GLY H 1.0 . . . 28 28 A 441 VAL N A 441 VAL H 1.0 . . . 29 29 A 442 ARG N A 442 ARG H 1.0 . . . 30 30 A 443 LYS N A 443 LYS H 1.0 . . . 31 31 A 444 HIS N A 444 HIS H 1.0 . . . 32 32 A 445 VAL N A 445 VAL H 1.0 . . . 33 33 A 446 GLU N A 446 GLU H 1.0 . . . 34 34 A 447 ARG N A 447 ARG H 1.0 . . . 35 35 A 448 ALA N A 448 ALA H 1.0 . . . 36 36 A 449 ALA N A 449 ALA H 1.0 . . . 37 37 A 450 THR N A 450 THR H 1.0 . . . 38 38 A 451 ASP N A 451 ASP H 1.0 . . . 39 39 A 453 LYS N A 453 LYS H 1.0 . . . 40 40 A 454 ALA N A 454 ALA H 1.0 . . . 41 41 A 455 VAL N A 455 VAL H 1.0 . . . 42 42 A 456 VAL N A 456 VAL H 1.0 . . . 43 43 A 457 THR N A 457 THR H 1.0 . . . 44 44 A 458 THR N A 458 THR H 1.0 . . . 45 45 A 459 TYR N A 459 TYR H 1.0 . . . 46 46 A 460 GLU N A 460 GLU H 1.0 . . . 47 47 A 461 GLY N A 461 GLY H 1.0 . . . 48 48 A 462 LYS N A 462 LYS H 1.0 . . . 49 49 A 463 HIS N A 463 HIS H 1.0 . . . 50 50 A 464 ASN N A 464 ASN H 1.0 . . . 51 51 A 465 HIS N A 465 HIS H 1.0 . . . 52 52 A 466 ASP N A 466 ASP H 1.0 . . . 53 53 A 467 LEU N A 467 LEU H 1.0 . . . 54 54 A 413 ARG NE A 413 ARG HE 1.0 . . . 55 55 A 415 ARG NE A 415 ARG HE 1.0 . . . 56 56 A 429 ARG NE A 429 ARG HE 1.0 . . . 57 57 A 442 ARG NE A 442 ARG HE 1.0 . . . 58 58 A 447 ARG NE A 447 ARG HE 1.0 . . . 59 59 B 5 DT N3 B 5 DT H3 1.0 . . . 60 60 B 6 DT N3 B 6 DT H3 1.0 . . . 61 61 B 7 DT N3 B 7 DT H3 1.0 . . . 62 62 C 21 DT N3 C 21 DT H3 1.0 . . . 63 63 C 24 DT N3 C 24 DT H3 1.0 . . . stop_ save_