Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
610554 | 5ki0 RC | 30110 | cing | 2-parsed | STAR | dihedral angle | 18 |
data_5ki0_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5ki0
_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_5ki0 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5ki0
_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 5ki0 "Master copy" parsed_5ki0
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5ki0
_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 5ki0.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5ki0 1
1 5ki0.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 18 parsed_5ki0 1
1 5ki0.mr . . XPLOR/CNS 3 distance NOE simple 0 parsed_5ki0 1
1 5ki0.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5ki0 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5ki0
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.00 -53.00 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_5ki0 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.00 -2.00 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_5ki0 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.00 -42.00 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_5ki0 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.00 6.00 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_5ki0 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.00 -48.00 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_5ki0 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.00 -6.00 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_5ki0 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.00 -49.00 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_5ki0 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.00 -9.00 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_5ki0 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.00 -53.00 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_5ki0 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.00 -13.00 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_5ki0 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.00 -33.00 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_5ki0 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.00 -6.00 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_5ki0 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.00 -42.00 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_5ki0 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 1.00 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_5ki0 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.00 -36.00 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_5ki0 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.00 -8.00 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_5ki0 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.00 -45.00 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_5ki0 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.00 -12.00 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_5ki0 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;
! phi and phi angles for pep10 #Gus Sept 15 2004
! 2
;
2 1 4 5 parsed_5ki0 1
2 "! 3" 8 72 10 5 parsed_5ki0 1
3
;
!! 4
assign (resid 3 and name C) (resid 4 and name N)
(resid 4 and name CA) (resid 4 and name C) 1 -65.00 20.00 2 !
assign (resid 4 and name N) (resid 4 and name CA)
(resid 4 and name C) (resid 5 and name N) 1 -44.00 20.00 2 !
!! 5
assign (resid 4 and name C) (resid 5 and name N)
(resid 5 and name CA) (resid 5 and name C) 1 -64.00 20.00 2 !
assign (resid 5 and name N) (resid 5 and name CA)
(resid 5 and name C) (resid 6 and name N) 1 -40.00 20.00 2 !
!! 6
assign (resid 5 and name C) (resid 6 and name N)
(resid 6 and name CA) (resid 6 and name C) 1 -64.00 10.00 2 !
assign (resid 6 and name N) (resid 6 and name CA)
(resid 6 and name C) (resid 7 and name N) 1 -43.00 10.00 2 !
;
15 1 15 1 parsed_5ki0 1
4 "! 7" 34 1 34 5 parsed_5ki0 1
5 "! 8" 38 72 39 5 parsed_5ki0 1
6 "! 9" 43 72 44 5 parsed_5ki0 1
7
;
!! 10
assign (resid 9 and name C) (resid 10 and name N)
(resid 10 and name CA) (resid 10 and name C) 1 -65.00 10.00 2 !
assign (resid 10 and name N) (resid 10 and name CA)
(resid 10 and name C) (resid 11 and name N) 1 -37.00 10.00 2 !
!! 11
assign (resid 10 and name C) (resid 11 and name N)
(resid 11 and name CA) (resid 11 and name C) 1 -65.00 10.00 2 !
assign (resid 11 and name N) (resid 11 and name CA)
(resid 11 and name C) (resid 12 and name N) 1 -39.00 10.00 2 !
!! 12
assign (resid 11 and name C) (resid 12 and name N)
(resid 12 and name CA) (resid 12 and name C) 1 -66.00 10.00 2 !
assign (resid 12 and name N) (resid 12 and name CA)
(resid 12 and name C) (resid 13 and name N) 1 -42.00 10.00 2 !
;
49 1 49 1 parsed_5ki0 1
8 "! 14" 66 1 66 6 parsed_5ki0 1
9 "! 15" 70 74 71 6 parsed_5ki0 1
10 "! 16" 75 74 76 6 parsed_5ki0 1
11 "! 17" 80 74 81 6 parsed_5ki0 1
12
;
END
pck2xplr.nawk Table; Input File: tam_noe1.sort
Date: Wed Jul 24 15:47:30 EDT 2013
Path: /hbar1/gswang/Tam_p/ctp1sds_wgnoesyR_71913.fid
@ BEGIN_XPLR_PCK_SUM
LBL File-Name All Intra Seq. Short Long
A tam_noe1.sort 94 35 47 12 0
Total 94 35 47 12 0
@ END_XPLR_PCK_SUM
@ BEGIN_XPLR_NOE_FILE
;
85 74 100 2 parsed_5ki0 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "# Restraints file 1: kamp19_nmr.tbl" 1 1 1 35 parsed_5ki0 1
stop_
save_