NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype |
|
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35845 |
1mfj   |
cing | 2-parsed | STAR | entry | full |
data_1mfj_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1mfj
_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_1mfj 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1mfj
_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 1mfj "Master copy" parsed_1mfj
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1mfj
_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 1mfj.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1mfj 1
1 1mfj.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1mfj 1
1 1mfj.mr . . MARDIGRAS/CORMA 3 distance NOE simple 0 parsed_1mfj 1
1 1mfj.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1mfj 1
1 1mfj.mr . . MARDIGRAS/CORMA 5 distance NOE simple 0 parsed_1mfj 1
1 1mfj.mr . . MARDIGRAS/CORMA 6 distance "hydrogen bond" simple 0 parsed_1mfj 1
1 1mfj.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1mfj 1
1 1mfj.mr . . MARDIGRAS/CORMA 8 peak "Not applicable" "Not applicable" 0 parsed_1mfj 1
1 1mfj.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 parsed_1mfj 1
1 1mfj.mr . . MARDIGRAS/CORMA 10 peak "Not applicable" "Not applicable" 0 parsed_1mfj 1
1 1mfj.mr . . n/a 11 comment "Not applicable" "Not applicable" 0 parsed_1mfj 1
1 1mfj.mr . . n/a 12 "chemical shift" "Not applicable" "format 3" 0 parsed_1mfj 1
1 1mfj.mr . . "MR format" 13 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1mfj 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1mfj
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
*HEADER RNA 11-AUG-02 1MFJ
*TITLE 3' STEM-LOOP FROM HUMAN U4 SNRNA
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: 5'-
*COMPND 3 R(*GP*AP*CP*AP*GP*UP*CP*UP*CP*UP*AP*CP*GP*GP*AP*GP*AP*CP*UP
*COMPND 4 *G)-3';
*COMPND 5 CHAIN: A;
*COMPND 6 ENGINEERED: YES;
*COMPND 7 OTHER_DETAILS: 3'STEM-LOOP OF HUMAN U4 SNRNA
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 OTHER_DETAILS: THIS SEQUENCE IS PART OF HUMAN U4 SNRNA.
*KEYWDS RIBONUCLEIC ACID, RNA OLIGONUCLEOTIDE, STEM-AND-LOOP, U4
*KEYWDS 2 SMALL NUCLEAR RNA, UACG TETRALOOP
*EXPDTA NMR, 10 STRUCTURES
*AUTHOR L.R.COMOLLI, N.B.ULYANOV, T.L.JAMES, W.H.GMEINER
*REVDAT 1 06-NOV-02 1MFJ 0
;
save_
save_MR_file_comment_2
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1mfj
_Org_constr_file_comment.ID 2
_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
;
# August 10, 2002
#
# L.R. Comolli, N.B. Ulyanov, T.L. James, W.H. Gmeiner
#
# Experimental NMR data for the RNA 20mer r(GACAGUCUCUACGGAGACUG)
#
# Content of this file:
#
# (1) Distance restraints for nonexchangeable protons
# (2) Distance restraints for exchangeable protons
# (3) Integrated intensities of cross-peaks in the 80-ms
# 600 MHz D2O NOESY acquired at 30 oC
# (4) Integrated intensities of cross-peaks in the 400-ms
# 600 MHz D2O NOESY acquired at 30 oC
# (5) Table of proton chemical shifts
#
# 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
#
#
# (1) restraints involving nonexchangeable protons
#
# Distance restraints involving nonexchangeable protons were calculated with the
# MARDIGRAS program using integrated intensities in two D2O NOESY datasets. The
# RANDMARDI procedure was run 50 times assuming isotropic effective correlation
# times of 2 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.
#
#Restraints obtained from mardigras inp= 2.mardi * filter= filter *** Tue Mar 26 16:53:24 2002
ATOM- i ATOM- j r_low r_up k_low k_up
;
save_
save_MR_file_comment_4
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1mfj
_Org_constr_file_comment.ID 3
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 4
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
#
# (2) restraints involving exchangeable protons
#
# For these distances, only upper bounds (6 A) were used for the peaks
# observed in the water NOESY data set at 20 oC.
#
;
save_
save_MR_file_comment_7
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1mfj
_Org_constr_file_comment.ID 4
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 7
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
#
# (3) Integrated intensities of cross-peaks in the 80-ms
# D2O NOESY dataset.
#
# NOE cross-peaks were integrated with SPARKY. Relative integration
# error was determined by comparing the below- and above-the-diagonal
# intensities, but in no case it was set below 10%. The intensities
# are not normalized.
#
HEADER prepared from tnn_80ms_mar26_02.mardilist by mardi.in Tue Mar 26 15:36:35 2002
MIXING TIME: 0.08
ATOM1 ATOM2 INTENSITY ERROR Note
;
save_
save_MR_file_comment_9
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1mfj
_Org_constr_file_comment.ID 5
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 9
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
#
# (4) Integrated intensities of cross-peaks in the 400-ms
# D2O NOESY dataset.
#
HEADER prepared from tnn_006_mar26_02.mardilist by mardi.in Tue Mar 26 15:36:51 2002
MIXING TIME: 0.4
ATOM1 ATOM2 INTENSITY ERROR Note
;
save_
save_MR_file_comment_11
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1mfj
_Org_constr_file_comment.ID 6
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 11
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
#
# (5) Proton chemical shifts. Nonexchangeable protons are
# at 30 oC; exchangeable protons are at 20 oC.
#
# "nd" stands for "not determined"
#
;
save_
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