NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype |
458319 | 2krc | cing | 1-original | 5 | PDB | coordinate | alignment tensor |
! SCULPTOR (CNS) format ! created by dconv 0.85b, FreeBSD/i386 port ! ! duplicit data were not removed ! data were normalized to N ILE3 HN ILE3 (C1=21593.5, r1=1.041) ! data errors were normalized too ! data were not weighted by their respective errors ! reference structure: pdb/N_delta_RDC4_good_CACO.pdb,1 ! alignment tensor was calculated from active data and structure ! by LLS SVD fit, optimized parameters: 5 out of 6 ! int. const. were multiplied and alignment tensor divided by 1 ! ! alignment tensor: alpha=287.7, beta=96.4, gamma=234.3, Da=20.36, R=0.266 { alignment tensor axes, to be put into atensor PDB: ATOM 1 X ORI 1 -0.754 -0.584 0.301 1.00 0.00 TEN1 ATOM 2 Y ORI 1 -0.308 -0.091 -0.947 1.00 0.00 TEN1 ATOM 3 Z ORI 1 0.580 -0.807 -0.112 1.00 0.00 TEN1 ATOM 4 OO ORI 1 0.000 0.000 0.000 1.00 0.00 TEN1 ATOM 5 OE EVS 2 0.000 2.000 0.000 1.00 0.00 TEN1 ATOM 6 X1 EVS 2 18.861 2.000 0.000 1.00 0.00 TEN1 ATOM 7 Z1 EVS 2 0.000 2.000 5.012 1.00 0.00 TEN1 }
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