Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type |
|
|
34412 | 1jve RC | 5167 | cing | 2-parsed | STAR | comment |
data_1jve_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1jve
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project" NMR . parsed_1jve 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1jve
_Entry.Title "Original constraint list(s)"
_Entry.Version_type original
_Entry.Submission_date .
_Entry.Accession_date .
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination .
_Entry.NMR_STAR_version 3.1
_Entry.Original_NMR_STAR_version .
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 1jve "Master copy" parsed_1jve
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1jve
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 1jve.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1jve 1
1 1jve.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1jve 1
1 1jve.mr . . MARDIGRAS/CORMA 3 distance NOE simple 0 parsed_1jve 1
1 1jve.mr . . MARDIGRAS/CORMA 4 distance NOE simple 0 parsed_1jve 1
1 1jve.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1jve 1
1 1jve.mr . . MARDIGRAS/CORMA 6 peak "Not applicable" "Not applicable" 0 parsed_1jve 1
1 1jve.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1jve 1
1 1jve.mr . . MARDIGRAS/CORMA 8 peak "Not applicable" "Not applicable" 0 parsed_1jve 1
1 1jve.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 parsed_1jve 1
1 1jve.mr . . MARDIGRAS/CORMA 10 peak "Not applicable" "Not applicable" 0 parsed_1jve 1
1 1jve.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1jve 1
stop_
save_
save_MR_file_comment_2
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1jve
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 2
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
# May 25, 2001
#
# N.B. Ulyanov, W.R. Bauer, T.L. James
#
# Experimental data for the DNA 27mer d(CCTAATTATAACGAAGTTATAATTAGG)
#
# Content of this file:
#
# (1) Distance restraints for nonexchangeable protons
# (2) Distance restraints for exchangeable protons
# (3) Integrated intensities of cross-peaks in the 150-ms
# D2O NOESY acquired with a weak presat of HDO
# (4) Integrated intensities of cross-peaks in the 150-ms
# D2O NOESY acquired without presat
# (5) Integrated intensities of cross-peaks in the 75-ms
# D2O NOESY acquired without presat
#
# Distances are in angstroms, force constants are in kcal/mol per
# angstrom squared
#
# Format is a modified MARDIGRAS format: first four columns contain
# atom names and residue numbers; columns 5 and 6 contain lower and
# upper distance bounds; columns 7 and 8 contain lower and upper
# force constants
#
# M7 stands for pseudoatom involving a methyl group (protons 1H5M, 2H5M, 3H5M)
#
# (1) Distance restraints involving nonexchangeable protons were calculated with
# the MARDIGRAS program using integrated intensities in three D2O NOESY datasets.
# The RANDMARDI procedure was run 50 times with correlation times of 8 and 9 ns
# for each of the three data sets. For each proton pair, all distance estimates
# were pooled together, and 10% of the lowest and 10% of the highest estimates
# were discarded. Min-max of the remaining estimates were accepted as the lower
# and upper bounds.
# Fixed distances and intra-sugar distances with low variation (such as H1*-H2*)
# were excluded from the list of restraints.
#
# (2) Distance restraints involving exchangeable protons were qualitatively
# categorized based on water NOESY dataset intensities.
#
# (1) restraints involving nonexchangeable protons
#
ATOM- i ATOM- j r_low r_up k_low k_up
;
save_