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 | program | type | subtype |
|
|
29367 |
1arr   |
395 | cing | 2-parsed | STAR | entry | full |
data_1arr_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1arr
_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_1arr 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1arr
_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 1arr "Master copy" parsed_1arr
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1arr
_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 1arr.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1arr 1
1 1arr.mr . . unknown 2 distance NOE simple 0 parsed_1arr 1
1 1arr.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1arr 1
1 1arr.mr . . unknown 4 distance NOE simple 0 parsed_1arr 1
1 1arr.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1arr 1
1 1arr.mr . . unknown 6 stereochemistry prochirality "Not applicable" 0 parsed_1arr 1
1 1arr.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1arr 1
1 1arr.mr . . unknown 8 distance "hydrogen bond" simple 0 parsed_1arr 1
1 1arr.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 parsed_1arr 1
1 1arr.mr . . unknown 10 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1arr 1
1 1arr.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1arr 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_1arr
_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 GENE-REGULATING PROTEIN 24-AUG-93 1ARR
*COMPND ARC REPRESSOR (NMR, MINIMIZED AVERAGE STRUCTURE)
*SOURCE SALMONELLA BACTERIOPHAGE P22
*AUTHOR A.M.J.J.BONVIN,H.VIS,M.J.M.BURGERING,J.N.BREG,R.BOELENS,
*AUTHOR 2 R.KAPTEIN
*REVDAT 1 31-JAN-94 1ARR 0
REMARK 3 NOE build-ups were obtained from NOESY spectra recorded
REMARK 3 at 600 MHz in H2O and D2O. Additional constraints were
REMARK 3 obtained from a SCUBA experiment revealing NOEs close to
REMARK 3 the water frequency and from 3D (15N,1H) heteronuclear
REMARK 3 experiments (3D NOE-HMQC).
REMARK 3 The total number of constraints was 1002 per monomer.
REMARK 3 These consisted of 350 intraresidue, 215 sequential,
REMARK 3 223 medium-range and 214 long range constraints; 150
REMARK 3 of the total set correspond to intermonomer constraints.
REMARK 3 16 methylene proton pairs and the methyl groups of 4 valine
REMARK 3 residues could be stereospecifically assigned. From the
REAMRK 3 stereospecific assignment procedure 21 chi-1 dihedral angle
REMARK 3 constraints could be imposed.
REMARK 5 Arc experimental NOE build-ups (1064) in H2O at 600 MHz
REMARK 5 The three mixing times are: 0.10000 0.15000 0.20000 [s]
REMARK 5 Methyl groups are indicated by Q3###. The stereospecifically
REMARK 5 assigned protons are listed below. For peaks involving
REMARK 5 diastereotopic protons that were not stereospecifically
REMARK 5 assigned an arbitrary assignment is given.
REMARK 5
;
save_
save_MR_file_comment_3
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1arr
_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
;
REMARK 6
REMARK 6 Arc experimental NOE build-ups (825) in D2O at 600 MHz
REMARK 6 The three mixing times are: 0.12000 0.16000 0.20000 [s]
REMARK 6 Methyl groups are indicated by Q3###. The stereospecifically
REMARK 6 assigned protons are listed below. For peaks involving
REMARK 6 diastereotopic protons that were not stereospecifically
REMARK 6 assigned an arbitrary assignment is given.
REMARK 6
;
save_
save_MR_file_comment_5
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1arr
_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
;
REMARK 7
REMARK 7 Arc stereospecific assignments (20) from an analysis of
REMARK 7 experimental J-coupling and NOE data.
REMARK 7
;
save_
save_MR_file_comment_7
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1arr
_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
;
REMARK 8
REMARK 8 Arc qualitative constraints (356). These include:
REMARK 8 - peaks close to the water line
REMARK 8 - peaks with bad build-ups
REMARK 8 - NOE constraints from 3D NOE-(15N,1H)HMQC
REMARK 8 - identified hydrogen bonds
REMARK 8
;
save_
save_MR_file_comment_9
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1arr
_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
;
REMARK 9
REMARK 9 Arc chi-1 dihedral constraints (21) from J-couplings and
REMARK 9 NOE analysis.
REMARK 9
;
save_
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