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 |
|
|
30662 |
1d20   |
cing | 2-parsed | STAR | entry | full |
data_1d20_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1d20
_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_1d20 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1d20
_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 1d20 "Master copy" parsed_1d20
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1d20
_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 1d20.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1d20 1
1 1d20.mr . . unknown 2 distance NOE simple 0 parsed_1d20 1
1 1d20.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1d20 1
1 1d20.mr . . unknown 4 distance NOE simple 0 parsed_1d20 1
1 1d20.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1d20 1
1 1d20.mr . . unknown 6 distance NOE simple 0 parsed_1d20 1
1 1d20.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1d20 1
1 1d20.mr . . unknown 8 distance NOE simple 0 parsed_1d20 1
1 1d20.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 parsed_1d20 1
1 1d20.mr . . unknown 10 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1d20 1
1 1d20.mr . . n/a 11 comment "Not applicable" "Not applicable" 0 parsed_1d20 1
1 1d20.mr . . unknown 12 distance "general distance" simple 0 parsed_1d20 1
1 1d20.mr . . n/a 13 comment "Not applicable" "Not applicable" 0 parsed_1d20 1
1 1d20.mr . . "MR format" 14 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1d20 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_1d20
_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 R1D20MR 01-AUG-90
*COMPND /DNA$ (5'-$D(*TP*CP*TP*AP*TP*CP*AP*CP*CP*GP)-3')
*SOURCE SYNTHETIC /DNA$
*EXPDTA NMR
*AUTHOR J.D.BALEJA,B.D.SYKES
*COORDS 1D20
*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).
*REMARK
File 9. Experimental restraints for L10 DNAa
A. NOE intensities and distances in D2O
Mixing time (sec.) Distance estimate Proton Pair
(nm.)
0.050 0.100 0.150 0.250 Lower Upper
1. Resolved cross-peaks
;
save_
save_MR_file_comment_3
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1d20
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 3
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
2. Overlapping cross-peaks
;
save_
save_MR_file_comment_5
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1d20
_Org_constr_file_comment.ID 3
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 5
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
3. Covalently bound proton pairs
;
save_
save_MR_file_comment_7
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1d20
_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
;
B. NOE intensities and distances for exchangeable protons e
NOE intensities Distance (nm.) Proton pair
.1 .2 .3 .5 sec.
;
save_
save_MR_file_comment_9
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1d20
_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
;
C. Dihedral Angle restraints (upper and lower bounds)
;
save_
save_MR_file_comment_11
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1d20
_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
;
D. Major Groove distance restraints (nm.)
;
save_
save_MR_file_comment_13
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1d20
_Org_constr_file_comment.ID 7
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 13
_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. NOE
intensities and distances were not used for 5' and 5" protons
because they were not assigned stereospecifically, and
because the ratio of J5'5" to the difference in chemical
shifts is often not small, leading to second order effects.
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.
eThe one-dimensional difference NOEs are in percentage of the
height of the irradiated imino peak. Imino-imino(i,j) NOE
intensities are an average of the NOE observed on j while
irradiating i, and the NOE observed on i, when irradiating j.
fwhere applicable. For example, residue 1 has no 5' phosphate,
and therefore, no corresponding alpha angle.
*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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