NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
609556 |
5knw   |
30126 | cing | 1-original | 1 | STAR | distance | hydrogen bond | simple |
# Restraints file 1: hbond_nmrstar.txt
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
loop_
_RDC.Comp_index_ID_1
_RDC.Comp_ID_1
_RDC.Atom_ID_1
_RDC.Comp_index_ID_2
_RDC.Comp_ID_2
_RDC.Atom_ID_2
_RDC.Val
_RDC.Val_err
468 ARG O 472 ARG HN 2.0 0.2
468 ARG O 472 ARG N 3.0 0.3
469 LYS O 473 ASP HN 2.0 0.2
469 LYS O 473 ASP N 3.0 0.3
470 GLN O 474 THR HN 2.0 0.2
470 GLN O 474 THR N 3.0 0.3
471 VAL O 475 LEU HN 2.0 0.2
471 VAL O 475 LEU N 3.0 0.3
472 ARG O 476 ALA HN 2.0 0.2
472 ARG O 476 ALA N 3.0 0.3
473 ASP O 477 ALA HN 2.0 0.2
473 ASP O 477 ALA N 3.0 0.3
474 THR O 478 ILE HN 2.0 0.2
474 THR O 478 ILE N 3.0 0.3
487 LEU HN 492 GLU O 2.0 0.2
487 LEU N 492 GLU O 3.0 0.3
459 ILE HN 493 CYS O 2.0 0.2
459 ILE N 493 CYS O 3.0 0.3
459 ILE O 493 CYS HN 2.0 0.2
459 ILE O 493 CYS N 3.0 0.3
485 ASP HN 494 HIS O 2.0 0.2
485 ASP N 494 HIS O 3.0 0.3
485 ASP O 494 HIS HN 2.0 0.2
485 ASP O 494 HIS N 3.0 0.3
457 VAL HN 495 ALA O 2.0 0.2
457 VAL N 495 ALA O 3.0 0.3
457 VAL O 495 ALA HN 2.0 0.2
457 VAL O 495 ALA N 3.0 0.3
483 TYR HN 496 ARG O 2.0 0.2
483 TYR N 496 ARG O 3.0 0.3
483 TYR O 496 ARG HN 2.0 0.2
483 TYR O 496 ARG N 3.0 0.3
455 VAL O 497 PHE HN 2.0 0.2
455 VAL O 497 PHE N 3.0 0.3
500 PRO O 504 GLN HN 2.0 0.2
500 PRO O 504 GLN N 3.0 0.3
501 GLU O 505 ALA HN 2.0 0.2
501 GLU O 505 ALA N 3.0 0.3
502 ASP O 506 VAL HN 2.0 0.2
502 ASP O 506 VAL N 3.0 0.3
503 ALA O 507 ILE HN 2.0 0.2
503 ALA O 507 ILE N 3.0 0.3
504 GLN O 508 ASN HN 2.0 0.2
504 GLN O 508 ASN N 3.0 0.3
505 ALA O 509 ALA HN 2.0 0.2
505 ALA O 509 ALA N 3.0 0.3
506 VAL O 510 TYR HN 2.0 0.2
506 VAL O 510 TYR N 3.0 0.3
460 ILE HN 520 LYS O 2.0 0.2
460 ILE N 520 LYS O 3.0 0.3
460 ILE O 520 LYS HN 2.0 0.2
460 ILE O 520 LYS N 3.0 0.3
458 LYS HN 522 GLU O 2.0 0.2
458 LYS N 522 GLU O 3.0 0.3
458 LYS O 522 GLU HN 2.0 0.2
458 LYS O 522 GLU N 3.0 0.3
456 ILE O 524 LEU HN 2.0 0.2
456 ILE O 524 LEU N 3.0 0.3
525 SER O 529 GLU HN 2.0 0.2
525 SER O 529 GLU N 3.0 0.3
526 GLY O 530 GLN HN 2.0 0.2
526 GLY O 530 GLN N 3.0 0.3
527 ASP O 531 ARG HN 2.0 0.2
527 ASP O 531 ARG N 3.0 0.3
528 HIS O 532 TYR HN 2.0 0.2
528 HIS O 532 TYR N 3.0 0.3
529 GLU O 533 TRP HN 2.0 0.2
529 GLU O 533 TRP N 3.0 0.3
530 GLN O 534 GLN HN 2.0 0.2
530 GLN O 534 GLN N 3.0 0.3
531 ARG O 535 LYS HN 2.0 0.2
531 ARG O 535 LYS N 3.0 0.3
532 TYR O 536 ILE HN 2.0 0.2
532 TYR O 536 ILE N 3.0 0.3
533 TRP O 537 LEU HN 2.0 0.2
533 TRP O 537 LEU N 3.0 0.3
534 GLN O 538 VAL HN 2.0 0.2
534 GLN O 538 VAL N 3.0 0.3
535 LYS O 539 ASP HN 2.0 0.2
535 LYS O 539 ASP N 3.0 0.3
536 ILE O 540 ARG HN 2.0 0.2
536 ILE O 540 ARG N 3.0 0.3
537 LEU O 541 GLN HN 2.0 0.2
537 LEU O 541 GLN N 3.0 0.3
538 VAL O 542 ALA HN 2.0 0.2
538 VAL O 542 ALA N 3.0 0.3
539 ASP O 543 LYS HN 2.0 0.2
539 ASP O 543 LYS N 3.0 0.3
stop_
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