NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
43031 |
1zzf   |
cing | 2-parsed | STAR | dipolar coupling | 79 |
data_1zzf_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1zzf
_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_1zzf 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1zzf
_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 1zzf "Master copy" parsed_1zzf
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1zzf
_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 1zzf.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1zzf 1
1 1zzf.mr . . XPLOR/CNS 2 distance NOE simple 670 parsed_1zzf 1
1 1zzf.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 140 parsed_1zzf 1
1 1zzf.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 79 parsed_1zzf 1
1 1zzf.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1zzf 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_1zzf
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . -27.200 . . . . A 4 . N A 4 . HN parsed_1zzf 1
2 . . . . . . . . . . . . . . . . 4.800 . . . . A 6 . N A 6 . HN parsed_1zzf 1
3 . . . . . . . . . . . . . . . . 2.100 . . . . A 8 . N A 8 . HN parsed_1zzf 1
4 . . . . . . . . . . . . . . . . 31.500 . . . . A 9 . N A 9 . HN parsed_1zzf 1
5 . . . . . . . . . . . . . . . . -20.300 . . . . A 11 . N A 11 . HN parsed_1zzf 1
6 . . . . . . . . . . . . . . . . -45.800 . . . . A 12 . N A 12 . HN parsed_1zzf 1
7 . . . . . . . . . . . . . . . . -25.300 . . . . A 17 . N A 17 . HN parsed_1zzf 1
8 . . . . . . . . . . . . . . . . -15.300 . . . . A 22 . N A 22 . HN parsed_1zzf 1
9 . . . . . . . . . . . . . . . . 43.100 . . . . A 26 . N A 26 . HN parsed_1zzf 1
10 . . . . . . . . . . . . . . . . -42.000 . . . . A 28 . N A 28 . HN parsed_1zzf 1
11 . . . . . . . . . . . . . . . . -40.700 . . . . A 29 . N A 29 . HN parsed_1zzf 1
12 . . . . . . . . . . . . . . . . -21.300 . . . . A 30 . N A 30 . HN parsed_1zzf 1
13 . . . . . . . . . . . . . . . . -22.200 . . . . A 31 . N A 31 . HN parsed_1zzf 1
14 . . . . . . . . . . . . . . . . -3.400 . . . . A 34 . N A 34 . HN parsed_1zzf 1
15 . . . . . . . . . . . . . . . . 19.900 . . . . A 35 . N A 35 . HN parsed_1zzf 1
16 . . . . . . . . . . . . . . . . 11.300 . . . . A 50 . N A 50 . HN parsed_1zzf 1
17 . . . . . . . . . . . . . . . . -32.300 . . . . A 51 . N A 51 . HN parsed_1zzf 1
18 . . . . . . . . . . . . . . . . -20.800 . . . . A 52 . N A 52 . HN parsed_1zzf 1
19 . . . . . . . . . . . . . . . . -0.200 . . . . A 53 . N A 53 . HN parsed_1zzf 1
20 . . . . . . . . . . . . . . . . 36.800 . . . . A 54 . N A 54 . HN parsed_1zzf 1
21 . . . . . . . . . . . . . . . . 9.600 . . . . A 55 . N A 55 . HN parsed_1zzf 1
22 . . . . . . . . . . . . . . . . 15.300 . . . . A 56 . N A 56 . HN parsed_1zzf 1
23 . . . . . . . . . . . . . . . . 36.500 . . . . A 58 . N A 58 . HN parsed_1zzf 1
24 . . . . . . . . . . . . . . . . 29.600 . . . . A 62 . N A 62 . HN parsed_1zzf 1
25 . . . . . . . . . . . . . . . . -8.200 . . . . A 64 . N A 64 . HN parsed_1zzf 1
26 . . . . . . . . . . . . . . . . 34.300 . . . . A 65 . N A 65 . HN parsed_1zzf 1
27 . . . . . . . . . . . . . . . . 19.800 . . . . A 66 . N A 66 . HN parsed_1zzf 1
28 . . . . . . . . . . . . . . . . -20.900 . . . . A 67 . N A 67 . HN parsed_1zzf 1
29 . . . . . . . . . . . . . . . . 6.300 . . . . A 68 . N A 68 . HN parsed_1zzf 1
30 . . . . . . . . . . . . . . . . 34.300 . . . . A 70 . N A 70 . HN parsed_1zzf 1
31 . . . . . . . . . . . . . . . . -19.800 . . . . A 71 . N A 71 . HN parsed_1zzf 1
32 . . . . . . . . . . . . . . . . 34.700 . . . . A 72 . N A 72 . HN parsed_1zzf 1
33 . . . . . . . . . . . . . . . . 11.000 . . . . A 74 . N A 74 . HN parsed_1zzf 1
34 . . . . . . . . . . . . . . . . -15.400 . . . . A 75 . N A 75 . HN parsed_1zzf 1
35 . . . . . . . . . . . . . . . . -29.100 . . . . A 76 . N A 76 . HN parsed_1zzf 1
36 . . . . . . . . . . . . . . . . -37.600 . . . . A 77 . N A 77 . HN parsed_1zzf 1
37 . . . . . . . . . . . . . . . . -32.200 . . . . A 78 . N A 78 . HN parsed_1zzf 1
38 . . . . . . . . . . . . . . . . -24.400 . . . . A 79 . N A 79 . HN parsed_1zzf 1
39 . . . . . . . . . . . . . . . . -40.200 . . . . A 80 . N A 80 . HN parsed_1zzf 1
40 . . . . . . . . . . . . . . . . -27.200 . . . . B 4 . N B 4 . HN parsed_1zzf 1
41 . . . . . . . . . . . . . . . . 4.800 . . . . B 6 . N B 6 . HN parsed_1zzf 1
42 . . . . . . . . . . . . . . . . 1.100 . . . . B 7 . N B 7 . HN parsed_1zzf 1
43 . . . . . . . . . . . . . . . . 2.100 . . . . B 8 . N B 8 . HN parsed_1zzf 1
44 . . . . . . . . . . . . . . . . 31.500 . . . . B 9 . N B 9 . HN parsed_1zzf 1
45 . . . . . . . . . . . . . . . . -20.300 . . . . B 11 . N B 11 . HN parsed_1zzf 1
46 . . . . . . . . . . . . . . . . -45.800 . . . . B 12 . N B 12 . HN parsed_1zzf 1
47 . . . . . . . . . . . . . . . . -25.300 . . . . B 17 . N B 17 . HN parsed_1zzf 1
48 . . . . . . . . . . . . . . . . -15.300 . . . . B 22 . N B 22 . HN parsed_1zzf 1
49 . . . . . . . . . . . . . . . . 43.100 . . . . B 26 . N B 26 . HN parsed_1zzf 1
50 . . . . . . . . . . . . . . . . -42.000 . . . . B 28 . N B 28 . HN parsed_1zzf 1
51 . . . . . . . . . . . . . . . . -40.700 . . . . B 29 . N B 29 . HN parsed_1zzf 1
52 . . . . . . . . . . . . . . . . -21.300 . . . . B 30 . N B 30 . HN parsed_1zzf 1
53 . . . . . . . . . . . . . . . . -22.200 . . . . B 31 . N B 31 . HN parsed_1zzf 1
54 . . . . . . . . . . . . . . . . -3.400 . . . . B 34 . N B 34 . HN parsed_1zzf 1
55 . . . . . . . . . . . . . . . . 19.900 . . . . B 35 . N B 35 . HN parsed_1zzf 1
56 . . . . . . . . . . . . . . . . 11.300 . . . . B 50 . N B 50 . HN parsed_1zzf 1
57 . . . . . . . . . . . . . . . . -32.300 . . . . B 51 . N B 51 . HN parsed_1zzf 1
58 . . . . . . . . . . . . . . . . -20.800 . . . . B 52 . N B 52 . HN parsed_1zzf 1
59 . . . . . . . . . . . . . . . . -0.200 . . . . B 53 . N B 53 . HN parsed_1zzf 1
60 . . . . . . . . . . . . . . . . 36.800 . . . . B 54 . N B 54 . HN parsed_1zzf 1
61 . . . . . . . . . . . . . . . . 9.600 . . . . B 55 . N B 55 . HN parsed_1zzf 1
62 . . . . . . . . . . . . . . . . 15.300 . . . . B 56 . N B 56 . HN parsed_1zzf 1
63 . . . . . . . . . . . . . . . . 36.500 . . . . B 58 . N B 58 . HN parsed_1zzf 1
64 . . . . . . . . . . . . . . . . 29.600 . . . . B 62 . N B 62 . HN parsed_1zzf 1
65 . . . . . . . . . . . . . . . . -8.200 . . . . B 64 . N B 64 . HN parsed_1zzf 1
66 . . . . . . . . . . . . . . . . 34.300 . . . . B 65 . N B 65 . HN parsed_1zzf 1
67 . . . . . . . . . . . . . . . . 19.800 . . . . B 66 . N B 66 . HN parsed_1zzf 1
68 . . . . . . . . . . . . . . . . -20.900 . . . . B 67 . N B 67 . HN parsed_1zzf 1
69 . . . . . . . . . . . . . . . . 6.300 . . . . B 68 . N B 68 . HN parsed_1zzf 1
70 . . . . . . . . . . . . . . . . 34.300 . . . . B 70 . N B 70 . HN parsed_1zzf 1
71 . . . . . . . . . . . . . . . . -19.800 . . . . B 71 . N B 71 . HN parsed_1zzf 1
72 . . . . . . . . . . . . . . . . 34.700 . . . . B 72 . N B 72 . HN parsed_1zzf 1
73 . . . . . . . . . . . . . . . . 11.000 . . . . B 74 . N B 74 . HN parsed_1zzf 1
74 . . . . . . . . . . . . . . . . -15.400 . . . . B 75 . N B 75 . HN parsed_1zzf 1
75 . . . . . . . . . . . . . . . . -29.100 . . . . B 76 . N B 76 . HN parsed_1zzf 1
76 . . . . . . . . . . . . . . . . -37.600 . . . . B 77 . N B 77 . HN parsed_1zzf 1
77 . . . . . . . . . . . . . . . . -32.200 . . . . B 78 . N B 78 . HN parsed_1zzf 1
78 . . . . . . . . . . . . . . . . -24.400 . . . . B 79 . N B 79 . HN parsed_1zzf 1
79 . . . . . . . . . . . . . . . . -40.200 . . . . B 80 . N B 80 . HN parsed_1zzf 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
;
H-N RESIDUAL DIPOLAR COUPLINGS
MONOMER A
;
2 1 3 11 parsed_1zzf 1
2 "MOMOMER B" 287 1 287 11 parsed_1zzf 1
stop_
loop_
_RDC_constraint_parse_err.ID
_RDC_constraint_parse_err.Content
_RDC_constraint_parse_err.Begin_line
_RDC_constraint_parse_err.Begin_column
_RDC_constraint_parse_err.End_line
_RDC_constraint_parse_err.End_column
_RDC_constraint_parse_err.Entry_ID
_RDC_constraint_parse_err.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 7 and name N and segid A )
( resid 7 and name HN and segid A ) 1.100 3.000
;
18 1 23 60 parsed_1zzf 1
stop_
save_
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