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 |
|
|
30619 |
1d19   |
cing | 2-parsed | STAR | entry | full |
data_1d19_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1d19
_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_1d19 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1d19
_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 1d19 "Master copy" parsed_1d19
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1d19
_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 1d19.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1d19 1
1 1d19.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1d19 1
1 1d19.mr . . unknown 3 distance NOE simple 0 parsed_1d19 1
1 1d19.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1d19 1
1 1d19.mr . . unknown 5 distance NOE simple 0 parsed_1d19 1
1 1d19.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1d19 1
1 1d19.mr . . unknown 7 distance NOE simple 0 parsed_1d19 1
1 1d19.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1d19 1
1 1d19.mr . . unknown 9 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1d19 1
1 1d19.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1d19 1
1 1d19.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1d19 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_1d19
_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 R1D19MR 01-AUG-90
*COMPND /DNA$ (5'-$D(*GP*TP*AP*CP*GP*TP*AP*CP)-3')
*SOURCE SYNTHETIC /DNA$
*EXPDTA NMR
*AUTHOR J.D.BALEJA,B.D.SYKES
*COORDS 1D19
*REMARK
*REMARK HYDROGEN ATOMS IN THIS ENTRY HAVE BEEN ASSIGNED NAMES
*REMARK CONSISTENT WITH THE RECOMMENDATIONS OF THE IUPAC-IUB
*REMARK COMMISSION ON BIOCHEMICAL NOMENCLATURE (SEE,E.G., J.MOL.
*REMARK BIOL. 52, 1 (1970)). THE PROTEIN DATA BANK HAS FOLLOWED
*REMARK RULE 4.4 OF THE RECOMMENDATIONS WITH THE FOLLOWING
*REMARK MODIFICATION - WHEN MORE THAN ONE HYDROGEN ATOM IS BONDED
*REMARK TO A SINGLE NON-HYDROGEN ATOM, THE HYDROGEN ATOM NUMBER
*REMARK DESIGNATION IS GIVEN AS THE FIRST CHARACTER OF THE ATOM
*REMARK NAME RATHER THAN AS THE LAST CHARACTER (E.G. H*BETA*1 IS
*REMARK DENOTED AS 1HB).
;
save_
save_MR_file_comment_2
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1d19
_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
;
File 8. Experimental restraints for GTACa
A. NOE intensities and distances
Mixing time (sec.) Distance estimate Proton pair
(nm.)
0.100 0.200 0.500 0.500 Lower Upper
1. Resolved cross-peaks
;
save_
save_MR_file_comment_4
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1d19
_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. Overlapping cross-peaks
;
save_
save_MR_file_comment_6
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1d19
_Org_constr_file_comment.ID 4
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 6
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
3. Covalently bound proton pairs
;
save_
save_MR_file_comment_8
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1d19
_Org_constr_file_comment.ID 5
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 8
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
aThe absence of an entry indicates that no distance estimate
was made, or that the NOE intensity was not tabulated. 5'
and 5" NOE intensities and distances were not used stereo-
specifically because the ratio of J5'5" to the difference in
chemical shifts is often not small, leading to second order
effects. 5's and 2's refer to non-stereospecifc NOEs to the
protons on the 2' and 5' methylene carbons, respectively.
NOE intensities are given for one of the two symmetry
related strands.
bNOE noted in subsequent analysis of the data, but not used
in structure refinement.
cNOE and distances are included with the previous entry.
dNOE and distances are approximately equal to the previous
entry.
eDistance noted in subsequent analysis and was only used
during energy minimization of structures produced from
molecular dynamics calculations.
B. Glycosidic dihedral angle restraints
Allowed ranges of dihedral angles
;
save_
save_MR_file_comment_10
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1d19
_Org_constr_file_comment.ID 6
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 10
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
*REMARK
*REMARK THE FOLLOWING IS A LIST OF ALL HYDROGEN ATOMS WITH THEIR
*REMARK NAMES IN THE ENTRY AND THE ORIGINAL DATA:
;
save_
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