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 | item_count |
|
|
38112 |
1qvx   |
5677 | cing | 2-parsed | STAR | dipolar coupling | 50 |
data_1qvx_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1qvx
_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_1qvx 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1qvx
_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 1qvx "Master copy" parsed_1qvx
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1qvx
_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 1qvx.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1qvx 1
1 1qvx.mr . . unknown 2 distance NOE ambi 0 parsed_1qvx 1
1 1qvx.mr . . unknown 3 distance NOE simple 0 parsed_1qvx 1
1 1qvx.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 212 parsed_1qvx 1
1 1qvx.mr . . NMRPipe 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1qvx 1
1 1qvx.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 50 parsed_1qvx 1
1 1qvx.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1qvx 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_6
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_1qvx
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . 3.9000 . . . . . 18 . N . 18 . HN parsed_1qvx 1
2 . . . . . . . . . . . . . . . . 4.500 . . . . . 22 . N . 22 . HN parsed_1qvx 1
3 . . . . . . . . . . . . . . . . 1.900 . . . . . 23 . N . 23 . HN parsed_1qvx 1
4 . . . . . . . . . . . . . . . . 1.700 . . . . . 24 . N . 24 . HN parsed_1qvx 1
5 . . . . . . . . . . . . . . . . 4.5000 . . . . . 27 . N . 27 . HN parsed_1qvx 1
6 . . . . . . . . . . . . . . . . -2.5000 . . . . . 31 . N . 31 . HN parsed_1qvx 1
7 . . . . . . . . . . . . . . . . 5.6000 . . . . . 32 . N . 32 . HN parsed_1qvx 1
8 . . . . . . . . . . . . . . . . 1.8000 . . . . . 48 . N . 48 . HN parsed_1qvx 1
9 . . . . . . . . . . . . . . . . 0.6000 . . . . . 50 . N . 50 . HN parsed_1qvx 1
10 . . . . . . . . . . . . . . . . 6.6000 . . . . . 53 . N . 53 . HN parsed_1qvx 1
11 . . . . . . . . . . . . . . . . 0.3000 . . . . . 54 . N . 54 . HN parsed_1qvx 1
12 . . . . . . . . . . . . . . . . 3.1000 . . . . . 56 . N . 56 . HN parsed_1qvx 1
13 . . . . . . . . . . . . . . . . 0.5000 . . . . . 57 . N . 57 . HN parsed_1qvx 1
14 . . . . . . . . . . . . . . . . 5.2000 . . . . . 58 . N . 58 . HN parsed_1qvx 1
15 . . . . . . . . . . . . . . . . 6.1000 . . . . . 59 . N . 59 . HN parsed_1qvx 1
16 . . . . . . . . . . . . . . . . 0.8000 . . . . . 61 . N . 61 . HN parsed_1qvx 1
17 . . . . . . . . . . . . . . . . 0.8000 . . . . . 62 . N . 62 . HN parsed_1qvx 1
18 . . . . . . . . . . . . . . . . 1.3000 . . . . . 64 . N . 64 . HN parsed_1qvx 1
19 . . . . . . . . . . . . . . . . 2.0000 . . . . . 65 . N . 65 . HN parsed_1qvx 1
20 . . . . . . . . . . . . . . . . 5.2000 . . . . . 75 . N . 75 . HN parsed_1qvx 1
21 . . . . . . . . . . . . . . . . 3.7000 . . . . . 76 . N . 76 . HN parsed_1qvx 1
22 . . . . . . . . . . . . . . . . -2.1000 . . . . . 80 . N . 80 . HN parsed_1qvx 1
23 . . . . . . . . . . . . . . . . 2.7000 . . . . . 84 . N . 84 . HN parsed_1qvx 1
24 . . . . . . . . . . . . . . . . -1.7000 . . . . . 85 . N . 85 . HN parsed_1qvx 1
25 . . . . . . . . . . . . . . . . 5.2000 . . . . . 87 . N . 87 . HN parsed_1qvx 1
26 . . . . . . . . . . . . . . . . 2.9000 . . . . . 88 . N . 88 . HN parsed_1qvx 1
27 . . . . . . . . . . . . . . . . 2.0000 . . . . . 89 . N . 89 . HN parsed_1qvx 1
28 . . . . . . . . . . . . . . . . 0.1000 . . . . . 90 . N . 90 . HN parsed_1qvx 1
29 . . . . . . . . . . . . . . . . 4.0000 . . . . . 93 . N . 93 . HN parsed_1qvx 1
30 . . . . . . . . . . . . . . . . 1.5000 . . . . . 94 . N . 94 . HN parsed_1qvx 1
31 . . . . . . . . . . . . . . . . -1.0000 . . . . . 97 . N . 97 . HN parsed_1qvx 1
32 . . . . . . . . . . . . . . . . -0.8000 . . . . . 108 . N . 108 . HN parsed_1qvx 1
33 . . . . . . . . . . . . . . . . 3.4000 . . . . . 109 . N . 109 . HN parsed_1qvx 1
34 . . . . . . . . . . . . . . . . 9.0000 . . . . . 110 . N . 110 . HN parsed_1qvx 1
35 . . . . . . . . . . . . . . . . 0.3000 . . . . . 111 . N . 111 . HN parsed_1qvx 1
36 . . . . . . . . . . . . . . . . -0.2000 . . . . . 113 . N . 113 . HN parsed_1qvx 1
37 . . . . . . . . . . . . . . . . 5.9000 . . . . . 117 . N . 117 . HN parsed_1qvx 1
38 . . . . . . . . . . . . . . . . 4.7000 . . . . . 121 . N . 121 . HN parsed_1qvx 1
39 . . . . . . . . . . . . . . . . 5.9000 . . . . . 122 . N . 122 . HN parsed_1qvx 1
40 . . . . . . . . . . . . . . . . 0.4000 . . . . . 123 . N . 123 . HN parsed_1qvx 1
41 . . . . . . . . . . . . . . . . 6.8000 . . . . . 124 . N . 124 . HN parsed_1qvx 1
42 . . . . . . . . . . . . . . . . 4.4000 . . . . . 125 . N . 125 . HN parsed_1qvx 1
43 . . . . . . . . . . . . . . . . -2.1000 . . . . . 126 . N . 126 . HN parsed_1qvx 1
44 . . . . . . . . . . . . . . . . 0.3000 . . . . . 128 . N . 128 . HN parsed_1qvx 1
45 . . . . . . . . . . . . . . . . 6.3000 . . . . . 130 . N . 130 . HN parsed_1qvx 1
46 . . . . . . . . . . . . . . . . 5.3000 . . . . . 131 . N . 131 . HN parsed_1qvx 1
47 . . . . . . . . . . . . . . . . 5.0000 . . . . . 133 . N . 133 . HN parsed_1qvx 1
48 . . . . . . . . . . . . . . . . 8.5000 . . . . . 134 . N . 134 . HN parsed_1qvx 1
49 . . . . . . . . . . . . . . . . -0.5000 . . . . . 135 . N . 135 . HN parsed_1qvx 1
50 . . . . . . . . . . . . . . . . -5.9000 . . . . . 136 . N . 136 . HN parsed_1qvx 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
;
resid 999 contains the four atoms which define the tensor
the coordinates of resid 999 are appended to the pdb
use our pdf file for the tensor
the data are in the format:
assign (atomselection) value error
;
2 1 7 37 parsed_1qvx 1
stop_
save_
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