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 |
|
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565221 |
2lwl   |
18634 | cing | 1-original | 2 | DYANA/DIANA | distance | NOE | ambi |
# List of ambiguous distance restraints.
#
# Created by Aria 2.0a, Thu May 2 17:34:59 2013
#
# Author:
# Date: Fri Apr 19 19:13:31 2013
# Project: hbd6 new
# Run: 17
# Path: /home/vpaula/Documentos/defensins/hbd6/calculo/run17
#
# Restraints used during calculation: 23
# Violated: 1
#
#
# Abbreviations:
#
# ref_spec: Spectrum name
# ref_no: Reference peak number (as in spectrum)
# id: Internal ARIA restraint-id (unique over all spectra)
# active: yes(no): restraint has (not) been used in the calculation. A restraint is inactive
# either if it was violated in the last iteration or if it has been merged with
# another restraint.
# d: Restaint distance [A], after calibration.
# upper: Upper bound [A]
# lower: Lower bound [A]
#
# Statistical quantities which have been calculated with respect to the structures of
# this iteration:
#
# d_avg: Average distance [A] found in structure ensemble.
# l_viol: Average lower-bound violation [A].
# u_viol: Average upper-bound violation [A].
# %_viol: Percentage of structures in which a restraint was violated.
# viol: 'yes' if the restraint has been violated. 'no' otherwise. Violated restraints
# will not be used in the subsequent iteration.
#
# a_type: Assignment type. Valid types are:
# M (manual): Restraint stems from existing (complete) cross-peak assignment.
# S (semi-automatic): Reference cross-peak is only partially assigned. ARIA has
# completed the assignment.
# A (automatic): Reference cross-peak has not been assigned. ARIA has generated
# a list of probable assignments.
#
# n_c: The number of contributions. (see noe_restraints.assignments for
# explicit list of contributions).
#
# Statistical quantities are calculated with respect to a 'filtered' ensemble of structures
# (e.g. n lowest energy structures etc.) See section in project-xml file.
#
# ref_spec ref_no id active d lower upper d_avg l_viol u_viol %_viol viol a_type n_c
NOESY13C 39 38 yes 2.44 1.69 3.18 2.54 0.00 0.00 0.0 no M 2
NOESY13C 40 39 yes 2.51 1.72 3.30 2.01 0.00 0.00 0.0 no M 3
NOESY13C 72 71 yes 2.73 1.80 3.67 3.44 0.00 0.04 0.0 no M 2
NOESY13C 118 117 yes 2.71 1.79 3.63 2.67 0.00 0.02 0.0 no M 2
NOESY13C 123 122 yes 2.77 1.81 3.72 2.59 0.00 0.00 0.0 no M 2
NOESY13C 139 138 yes 2.42 1.69 3.16 2.01 0.00 0.00 0.0 no M 3
NOESY13C 144 143 yes 2.17 1.58 2.76 2.17 0.00 0.00 0.0 no M 2
NOESY13C 196 192 yes 2.63 1.77 3.50 1.97 0.00 0.00 0.0 no M 2
NOESY13C 212 208 yes 2.85 1.84 3.87 3.72 0.00 0.00 0.0 no M 2
NOESY13C 238 234 yes 1.99 1.50 2.49 2.33 0.00 0.05 0.0 no S 2
NOESY13C 248 244 yes 2.73 1.80 3.66 2.78 0.00 0.00 0.0 no M 2
NOESY13C 299 295 yes 2.17 1.58 2.77 2.36 0.00 0.00 0.0 no M 2
NOESY13C 330 326 yes 2.76 1.81 3.71 3.45 0.00 0.00 0.0 no M 2
NOESY13C 439 435 yes 2.71 1.79 3.63 2.78 0.00 0.00 0.0 no M 2
NOESY13C 495 488 yes 2.26 1.62 2.90 2.20 0.00 0.00 0.0 no M 2
NOESY13C 499 492 yes 3.19 1.92 4.47 3.73 0.00 0.00 0.0 no M 2
NOESY15N 26 529 yes 3.26 1.93 4.58 3.31 0.00 0.00 0.0 no M 2
NOESY15N 102 605 yes 2.35 1.66 3.03 2.47 0.00 0.00 0.0 no M 2
NOESY15N 125 628 yes 3.06 1.89 4.22 3.99 0.00 0.00 0.0 no M 2
NOESY15N 155 658 yes 2.91 1.85 3.98 3.39 0.00 0.00 0.0 no M 2
NOESY15N 190 693 yes 2.60 1.75 3.44 3.54 0.00 0.10 71.4 yes M 2
NOESY15N 218 721 yes 2.58 1.75 3.41 3.34 0.00 0.00 0.0 no M 2
NOESY15N 220 723 yes 3.01 1.88 4.15 3.33 0.00 0.00 0.0 no M 2
NOESY13C 90 89 no 2.46 1.70 3.22 5.63 0.00 2.42 100.0 yes M 2
NOESY13C 346 342 no 2.80 1.82 3.78 4.91 0.00 1.13 100.0 yes M 2
NOESY13C 427 423 no 2.79 1.82 3.76 7.15 0.00 3.40 100.0 yes M 3
NOESY13C 479 473 no 2.75 1.80 3.69 4.14 0.00 0.45 100.0 yes M 2
NOESY13C 505 498 no 2.94 1.86 4.02 4.40 0.00 0.38 100.0 yes M 2
NOESY15N 187 690 no 2.82 1.82 3.81 5.54 0.00 1.74 100.0 yes S 2
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