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 |
|
|
29218 |
1amb   |
cing | 2-parsed | STAR | comment |
data_1amb_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1amb
_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_1amb 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1amb
_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 1amb "Master copy" parsed_1amb
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1amb
_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 1amb.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1amb 1
1 1amb.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1amb 1
1 1amb.mr . . XPLOR/CNS 3 distance NOE simple 51 parsed_1amb 1
1 1amb.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1amb 1
1 1amb.mr . . XPLOR/CNS 5 distance NOE simple 144 parsed_1amb 1
1 1amb.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1amb 1
1 1amb.mr . . XPLOR/CNS 7 distance NOE simple 47 parsed_1amb 1
1 1amb.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1amb 1
1 1amb.mr . . XPLOR/CNS 9 distance "hydrogen bond" simple 16 parsed_1amb 1
1 1amb.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1amb 1
1 1amb.mr . . XPLOR/CNS 11 distance "hydrogen bond" simple 18 parsed_1amb 1
1 1amb.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 parsed_1amb 1
1 1amb.mr . . XPLOR/CNS 13 distance "hydrogen bond" simple 12 parsed_1amb 1
1 1amb.mr . . n/a 14 comment "Not applicable" "Not applicable" 0 parsed_1amb 1
1 1amb.mr . . XPLOR/CNS 15 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1amb 1
1 1amb.mr . . n/a 16 comment "Not applicable" "Not applicable" 0 parsed_1amb 1
1 1amb.mr . . XPLOR/CNS 17 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1amb 1
1 1amb.mr . . n/a 18 comment "Not applicable" "Not applicable" 0 parsed_1amb 1
1 1amb.mr . . "MR format" 19 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1amb 1
stop_
save_
save_MR_file_comment_14
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1amb
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 14
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
* X-PLOR 3.0 FILE 7: tor.h
* HEADER FILE FOR TORSION RESTRAINTS
remark XPLOR man p. 305,383
remark CAUTION Torsion angles are NOT phi
REMARK hi,med,lo refer to certainty
evaluate ($FR=10.0)
evaluate ($EXPON=2)
evaluate ($PHI3=-110.0)
evaluate ($DELTA3=20.0) !hi
evaluate ($PHI4=-120.0)
evaluate ($DELTA4=20.0) !hi
evaluate ($PHI5=-126.7)
evaluate ($DELTA5=20.0) !hi
evaluate ($PHI6=-133.3)
evaluate ($DELTA6=30.0) !med
evaluate ($PHI7=-140.0)
evaluate ($DELTA7=40.0) !med-lo
evaluate ($PHI8=-150.0)
evaluate ($DELTA8=50.0) !lo
evaluate ($PHI10=-175.0)
evaluate ($DELTA10=30.0) !hi
evaluate ($PHI11=-160.0)
evaluate ($DELTA11=30.0) !hi
* X-PLOR 3.0 FILE 8: out.tor
* PHI ANGLE RESTRAINTS (27) DERIVED FROM J-VALUES
;
save_
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