NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
494707 |
2l5h   |
cing | 2-parsed | STAR | dipolar coupling | 80 |
data_2l5h_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2l5h
_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_2l5h 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2l5h
_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 2l5h "Master copy" parsed_2l5h
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2l5h
_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 2l5h.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2l5h 1
1 2l5h.mr . . XPLOR/CNS 2 "dipolar coupling" "Not applicable" "Not applicable" 80 parsed_2l5h 1
1 2l5h.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2l5h 1
1 2l5h.mr . . unknown 4 "small-angle x-ray scattering" "Not applicable" "Not applicable" 0 parsed_2l5h 1
1 2l5h.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2l5h 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_2
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2l5h
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 2
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.Source_experiment_ID
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 . . . . . . . . . . . . . . . . -2.4106 . . . . A 36 . N A 36 . HN parsed_2l5h 1
2 . . . . . . . . . . . . . . . . 7.4539 . . . . A 45 . N A 45 . HN parsed_2l5h 1
3 . . . . . . . . . . . . . . . . 6.5400 . . . . A 46 . N A 46 . HN parsed_2l5h 1
4 . . . . . . . . . . . . . . . . -4.5285 . . . . A 57 . N A 57 . HN parsed_2l5h 1
5 . . . . . . . . . . . . . . . . -13.4331 . . . . A 62 . N A 62 . HN parsed_2l5h 1
6 . . . . . . . . . . . . . . . . 6.7009 . . . . A 73 . N A 73 . HN parsed_2l5h 1
7 . . . . . . . . . . . . . . . . -15.5991 . . . . A 75 . N A 75 . HN parsed_2l5h 1
8 . . . . . . . . . . . . . . . . -0.7637 . . . . A 81 . N A 81 . HN parsed_2l5h 1
9 . . . . . . . . . . . . . . . . 0.3856 . . . . A 82 . N A 82 . HN parsed_2l5h 1
10 . . . . . . . . . . . . . . . . 17.1054 . . . . A 83 . N A 83 . HN parsed_2l5h 1
11 . . . . . . . . . . . . . . . . -2.9497 . . . . A 92 . N A 92 . HN parsed_2l5h 1
12 . . . . . . . . . . . . . . . . 9.8209 . . . . A 99 . N A 99 . HN parsed_2l5h 1
13 . . . . . . . . . . . . . . . . -17.4901 . . . . A 100 . N A 100 . HN parsed_2l5h 1
14 . . . . . . . . . . . . . . . . -12.8293 . . . . A 101 . N A 101 . HN parsed_2l5h 1
15 . . . . . . . . . . . . . . . . -21.7477 . . . . A 102 . N A 102 . HN parsed_2l5h 1
16 . . . . . . . . . . . . . . . . -18.8343 . . . . A 103 . N A 103 . HN parsed_2l5h 1
17 . . . . . . . . . . . . . . . . -19.1451 . . . . A 110 . N A 110 . HN parsed_2l5h 1
18 . . . . . . . . . . . . . . . . -19.9033 . . . . A 114 . N A 114 . HN parsed_2l5h 1
19 . . . . . . . . . . . . . . . . -14.3687 . . . . A 116 . N A 116 . HN parsed_2l5h 1
20 . . . . . . . . . . . . . . . . -16.3358 . . . . A 118 . N A 118 . HN parsed_2l5h 1
21 . . . . . . . . . . . . . . . . -19.9267 . . . . A 5 . N A 5 . HN parsed_2l5h 1
22 . . . . . . . . . . . . . . . . 15.5131 . . . . A 14 . N A 14 . HN parsed_2l5h 1
23 . . . . . . . . . . . . . . . . -11.4778 . . . . A 19 . N A 19 . HN parsed_2l5h 1
24 . . . . . . . . . . . . . . . . -3.0296 . . . . A 149 . N A 149 . HN parsed_2l5h 1
25 . . . . . . . . . . . . . . . . 15.1376 . . . . A 151 . N A 151 . HN parsed_2l5h 1
26 . . . . . . . . . . . . . . . . -6.1143 . . . . A 158 . N A 158 . HN parsed_2l5h 1
27 . . . . . . . . . . . . . . . . -23.2102 . . . . A 160 . N A 160 . HN parsed_2l5h 1
28 . . . . . . . . . . . . . . . . -17.8153 . . . . A 161 . N A 161 . HN parsed_2l5h 1
29 . . . . . . . . . . . . . . . . -14.0939 . . . . A 162 . N A 162 . HN parsed_2l5h 1
30 . . . . . . . . . . . . . . . . -20.4764 . . . . A 181 . N A 181 . HN parsed_2l5h 1
31 . . . . . . . . . . . . . . . . 15.6863 . . . . A 206 . N A 206 . HN parsed_2l5h 1
32 . . . . . . . . . . . . . . . . -14.0076 . . . . A 207 . N A 207 . HN parsed_2l5h 1
33 . . . . . . . . . . . . . . . . 3.2397 . . . . A 208 . N A 208 . HN parsed_2l5h 1
34 . . . . . . . . . . . . . . . . -0.0059 . . . . A 209 . N A 209 . HN parsed_2l5h 1
35 . . . . . . . . . . . . . . . . -5.0558 . . . . A 210 . N A 210 . HN parsed_2l5h 1
36 . . . . . . . . . . . . . . . . -3.0111 . . . . A 213 . N A 213 . HN parsed_2l5h 1
37 . . . . . . . . . . . . . . . . 5.9773 . . . . A 215 . N A 215 . HN parsed_2l5h 1
38 . . . . . . . . . . . . . . . . 24.3244 . . . . A 219 . N A 219 . HN parsed_2l5h 1
39 . . . . . . . . . . . . . . . . 12.9129 . . . . A 220 . N A 220 . HN parsed_2l5h 1
40 . . . . . . . . . . . . . . . . 13.5208 . . . . A 230 . N A 230 . HN parsed_2l5h 1
41 . . . . . . . . . . . . . . . . -2.4106 . . . . B 36 . N B 36 . HN parsed_2l5h 1
42 . . . . . . . . . . . . . . . . 7.4539 . . . . B 45 . N B 45 . HN parsed_2l5h 1
43 . . . . . . . . . . . . . . . . 6.5400 . . . . B 46 . N B 46 . HN parsed_2l5h 1
44 . . . . . . . . . . . . . . . . -4.5285 . . . . B 57 . N B 57 . HN parsed_2l5h 1
45 . . . . . . . . . . . . . . . . -13.4331 . . . . B 62 . N B 62 . HN parsed_2l5h 1
46 . . . . . . . . . . . . . . . . 6.7009 . . . . B 73 . N B 73 . HN parsed_2l5h 1
47 . . . . . . . . . . . . . . . . -15.5991 . . . . B 75 . N B 75 . HN parsed_2l5h 1
48 . . . . . . . . . . . . . . . . -0.7637 . . . . B 81 . N B 81 . HN parsed_2l5h 1
49 . . . . . . . . . . . . . . . . 0.3856 . . . . B 82 . N B 82 . HN parsed_2l5h 1
50 . . . . . . . . . . . . . . . . 17.1054 . . . . B 83 . N B 83 . HN parsed_2l5h 1
51 . . . . . . . . . . . . . . . . -2.9497 . . . . B 92 . N B 92 . HN parsed_2l5h 1
52 . . . . . . . . . . . . . . . . 9.8209 . . . . B 99 . N B 99 . HN parsed_2l5h 1
53 . . . . . . . . . . . . . . . . -17.4901 . . . . B 100 . N B 100 . HN parsed_2l5h 1
54 . . . . . . . . . . . . . . . . -12.8293 . . . . B 101 . N B 101 . HN parsed_2l5h 1
55 . . . . . . . . . . . . . . . . -21.7477 . . . . B 102 . N B 102 . HN parsed_2l5h 1
56 . . . . . . . . . . . . . . . . -18.8343 . . . . B 103 . N B 103 . HN parsed_2l5h 1
57 . . . . . . . . . . . . . . . . -19.1451 . . . . B 110 . N B 110 . HN parsed_2l5h 1
58 . . . . . . . . . . . . . . . . -19.9033 . . . . B 114 . N B 114 . HN parsed_2l5h 1
59 . . . . . . . . . . . . . . . . -14.3687 . . . . B 116 . N B 116 . HN parsed_2l5h 1
60 . . . . . . . . . . . . . . . . -16.3358 . . . . B 118 . N B 118 . HN parsed_2l5h 1
61 . . . . . . . . . . . . . . . . -19.9267 . . . . B 5 . N B 5 . HN parsed_2l5h 1
62 . . . . . . . . . . . . . . . . 15.5131 . . . . B 14 . N B 14 . HN parsed_2l5h 1
63 . . . . . . . . . . . . . . . . -11.4778 . . . . B 19 . N B 19 . HN parsed_2l5h 1
64 . . . . . . . . . . . . . . . . -3.0296 . . . . B 149 . N B 149 . HN parsed_2l5h 1
65 . . . . . . . . . . . . . . . . 15.1376 . . . . B 151 . N B 151 . HN parsed_2l5h 1
66 . . . . . . . . . . . . . . . . -6.1143 . . . . B 158 . N B 158 . HN parsed_2l5h 1
67 . . . . . . . . . . . . . . . . -23.2102 . . . . B 160 . N B 160 . HN parsed_2l5h 1
68 . . . . . . . . . . . . . . . . -17.8153 . . . . B 161 . N B 161 . HN parsed_2l5h 1
69 . . . . . . . . . . . . . . . . -14.0939 . . . . B 162 . N B 162 . HN parsed_2l5h 1
70 . . . . . . . . . . . . . . . . -20.4764 . . . . B 181 . N B 181 . HN parsed_2l5h 1
71 . . . . . . . . . . . . . . . . 15.6863 . . . . B 206 . N B 206 . HN parsed_2l5h 1
72 . . . . . . . . . . . . . . . . -14.0076 . . . . B 207 . N B 207 . HN parsed_2l5h 1
73 . . . . . . . . . . . . . . . . 3.2397 . . . . B 208 . N B 208 . HN parsed_2l5h 1
74 . . . . . . . . . . . . . . . . -0.0059 . . . . B 209 . N B 209 . HN parsed_2l5h 1
75 . . . . . . . . . . . . . . . . -5.0558 . . . . B 210 . N B 210 . HN parsed_2l5h 1
76 . . . . . . . . . . . . . . . . -3.0111 . . . . B 213 . N B 213 . HN parsed_2l5h 1
77 . . . . . . . . . . . . . . . . 5.9773 . . . . B 215 . N B 215 . HN parsed_2l5h 1
78 . . . . . . . . . . . . . . . . 24.3244 . . . . B 219 . N B 219 . HN parsed_2l5h 1
79 . . . . . . . . . . . . . . . . 12.9129 . . . . B 220 . N B 220 . HN parsed_2l5h 1
80 . . . . . . . . . . . . . . . . 13.5208 . . . . B 230 . N B 230 . HN parsed_2l5h 1
stop_
loop_
_RDC_constraint_comment_org.ID
_RDC_constraint_comment_org.Comment_text
_RDC_constraint_comment_org.Comment_begin_line
_RDC_constraint_comment_org.Comment_begin_column
_RDC_constraint_comment_org.Comment_end_line
_RDC_constraint_comment_org.Comment_end_column
_RDC_constraint_comment_org.Entry_ID
_RDC_constraint_comment_org.RDC_constraint_list_ID
1
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 68 and name N and segid A )
( resid 68 and name HN and segid A ) 8.1947 1.5210
;
35 1 35 1 parsed_2l5h 1
2
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 138 and name N and segid A )
( resid 138 and name HN and segid A ) -10.6039 0.9719
;
148 1 148 1 parsed_2l5h 1
3
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 175 and name N and segid A )
( resid 175 and name HN and segid A ) 6.5963 3.7010
;
219 1 219 1 parsed_2l5h 1
4
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 68 and name N and segid B )
( resid 68 and name HN and segid B ) 8.1947 1.5210
;
339 1 339 1 parsed_2l5h 1
5
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 138 and name N and segid B )
( resid 138 and name HN and segid B ) -10.6039 0.9719
;
452 1 452 1 parsed_2l5h 1
6
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 175 and name N and segid B )
( resid 175 and name HN and segid B ) 6.5963 3.7010
;
523 1 523 1 parsed_2l5h 1
stop_
save_
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