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 |
|
|
609558 |
5knw   |
30126 | cing | 1-original | 3 | STAR | dipolar coupling |
# Restraints file 3: rdc_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.Val
455 VAL HN -5.96
457 VAL HN 15.27
458 LYS HN 5.57
459 ILE HN 5.34
460 ILE HN -9.19
461 SER HN -3.27
462 THR HN -8.89
467 GLY HN -1.73
468 ARG HN -10.49
473 ASP HN -17.02
475 LEU HN -13.38
476 ALA HN -15.06
477 ALA HN -13.15
479 SER HN -16.68
480 GLU HN -16.2
481 VAL HN -0.83
483 TYR HN 13.42
484 VAL HN 16.53
485 ASP HN 6.89
486 LEU HN 19.02
487 LEU HN 15.76
489 GLY HN -9.66
491 THR HN -4.41
492 GLU HN -2.32
493 CYS HN 4.98
494 HIS HN 10.68
495 ALA HN 13.28
497 PHE HN 9.6
498 LYS HN -3.41
499 THR HN -4.79
501 GLU HN 6.03
503 ALA HN -4.83
504 GLN HN -0.66
505 ALA HN 7.87
506 VAL HN 1.43
507 ILE HN -1.05
508 ASN HN 9.36
509 ALA HN 7.53
510 TYR HN -8.72
511 THR HN -15.79
512 GLU HN -7.53
523 ILE HN 9.95
524 LEU HN 16.7
525 SER HN -3.57
526 GLY HN -17.03
529 GLU HN 4.42
530 GLN HN 15.7
531 ARG HN 14.75
532 TYR HN 5
535 LYS HN 11.74
536 ILE HN 6.66
stop_
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