NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
36222 |
1n7t   |
5631 | cing | 2-parsed | STAR | dipolar coupling | 82 |
data_1n7t_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1n7t
_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_1n7t 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1n7t
_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 1n7t "Master copy" parsed_1n7t
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1n7t
_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 1n7t.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1n7t 1
1 1n7t.mr . . XPLOR/CNS 2 distance NOE simple 1499 parsed_1n7t 1
1 1n7t.mr . . XPLOR/CNS 3 distance NOE simple 218 parsed_1n7t 1
1 1n7t.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 36 parsed_1n7t 1
1 1n7t.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 130 parsed_1n7t 1
1 1n7t.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 26 parsed_1n7t 1
1 1n7t.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 216 parsed_1n7t 1
1 1n7t.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 82 parsed_1n7t 1
1 1n7t.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1n7t 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_8
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_1n7t
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 8
_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 . . . . . . . . . . . . . . . . -21.21 . . . . A 11 . N A 11 . HN parsed_1n7t 1
2 . . . . . . . . . . . . . . . . -28.42 . . . . A 12 . N A 12 . HN parsed_1n7t 1
3 . . . . . . . . . . . . . . . . -22.69 . . . . A 13 . N A 13 . HN parsed_1n7t 1
4 . . . . . . . . . . . . . . . . -14.91 . . . . A 14 . N A 14 . HN parsed_1n7t 1
5 . . . . . . . . . . . . . . . . 10.57 . . . . A 15 . N A 15 . HN parsed_1n7t 1
6 . . . . . . . . . . . . . . . . 9.01 . . . . A 16 . N A 16 . HN parsed_1n7t 1
7 . . . . . . . . . . . . . . . . 16.95 . . . . A 17 . N A 17 . HN parsed_1n7t 1
8 . . . . . . . . . . . . . . . . 10.81 . . . . A 18 . N A 18 . HN parsed_1n7t 1
9 . . . . . . . . . . . . . . . . -8.11 . . . . A 19 . N A 19 . HN parsed_1n7t 1
10 . . . . . . . . . . . . . . . . 10.73 . . . . A 20 . N A 20 . HN parsed_1n7t 1
11 . . . . . . . . . . . . . . . . 12.78 . . . . A 22 . N A 22 . HN parsed_1n7t 1
12 . . . . . . . . . . . . . . . . 2.38 . . . . A 23 . N A 23 . HN parsed_1n7t 1
13 . . . . . . . . . . . . . . . . -3.36 . . . . A 24 . N A 24 . HN parsed_1n7t 1
14 . . . . . . . . . . . . . . . . 6.72 . . . . A 25 . N A 25 . HN parsed_1n7t 1
15 . . . . . . . . . . . . . . . . 6.14 . . . . A 26 . N A 26 . HN parsed_1n7t 1
16 . . . . . . . . . . . . . . . . -8.93 . . . . A 27 . N A 27 . HN parsed_1n7t 1
17 . . . . . . . . . . . . . . . . -29.98 . . . . A 28 . N A 28 . HN parsed_1n7t 1
18 . . . . . . . . . . . . . . . . -38.25 . . . . A 29 . N A 29 . HN parsed_1n7t 1
19 . . . . . . . . . . . . . . . . -7.86 . . . . A 30 . N A 30 . HN parsed_1n7t 1
20 . . . . . . . . . . . . . . . . -8.19 . . . . A 31 . N A 31 . HN parsed_1n7t 1
21 . . . . . . . . . . . . . . . . 7.37 . . . . A 32 . N A 32 . HN parsed_1n7t 1
22 . . . . . . . . . . . . . . . . -30.06 . . . . A 33 . N A 33 . HN parsed_1n7t 1
23 . . . . . . . . . . . . . . . . 18.35 . . . . A 34 . N A 34 . HN parsed_1n7t 1
24 . . . . . . . . . . . . . . . . -6.31 . . . . A 35 . N A 35 . HN parsed_1n7t 1
25 . . . . . . . . . . . . . . . . 20.97 . . . . A 36 . N A 36 . HN parsed_1n7t 1
26 . . . . . . . . . . . . . . . . 8.44 . . . . A 38 . N A 38 . HN parsed_1n7t 1
27 . . . . . . . . . . . . . . . . 7.70 . . . . A 39 . N A 39 . HN parsed_1n7t 1
28 . . . . . . . . . . . . . . . . -1.64 . . . . A 41 . N A 41 . HN parsed_1n7t 1
29 . . . . . . . . . . . . . . . . -0.16 . . . . A 42 . N A 42 . HN parsed_1n7t 1
30 . . . . . . . . . . . . . . . . -7.45 . . . . A 43 . N A 43 . HN parsed_1n7t 1
31 . . . . . . . . . . . . . . . . 6.80 . . . . A 44 . N A 44 . HN parsed_1n7t 1
32 . . . . . . . . . . . . . . . . -39.07 . . . . A 45 . N A 45 . HN parsed_1n7t 1
33 . . . . . . . . . . . . . . . . -32.27 . . . . A 46 . N A 46 . HN parsed_1n7t 1
34 . . . . . . . . . . . . . . . . -24.24 . . . . A 47 . N A 47 . HN parsed_1n7t 1
35 . . . . . . . . . . . . . . . . 12.61 . . . . A 48 . N A 48 . HN parsed_1n7t 1
36 . . . . . . . . . . . . . . . . 7.37 . . . . A 49 . N A 49 . HN parsed_1n7t 1
37 . . . . . . . . . . . . . . . . -3.19 . . . . A 51 . N A 51 . HN parsed_1n7t 1
38 . . . . . . . . . . . . . . . . -12.53 . . . . A 53 . N A 53 . HN parsed_1n7t 1
39 . . . . . . . . . . . . . . . . 13.76 . . . . A 54 . N A 54 . HN parsed_1n7t 1
40 . . . . . . . . . . . . . . . . -34.97 . . . . A 56 . N A 56 . HN parsed_1n7t 1
41 . . . . . . . . . . . . . . . . 14.09 . . . . A 57 . N A 57 . HN parsed_1n7t 1
42 . . . . . . . . . . . . . . . . -19.74 . . . . A 59 . N A 59 . HN parsed_1n7t 1
43 . . . . . . . . . . . . . . . . 6.88 . . . . A 60 . N A 60 . HN parsed_1n7t 1
44 . . . . . . . . . . . . . . . . 5.49 . . . . A 61 . N A 61 . HN parsed_1n7t 1
45 . . . . . . . . . . . . . . . . 3.03 . . . . A 63 . N A 63 . HN parsed_1n7t 1
46 . . . . . . . . . . . . . . . . 15.81 . . . . A 64 . N A 64 . HN parsed_1n7t 1
47 . . . . . . . . . . . . . . . . -18.59 . . . . A 65 . N A 65 . HN parsed_1n7t 1
48 . . . . . . . . . . . . . . . . -31.45 . . . . A 66 . N A 66 . HN parsed_1n7t 1
49 . . . . . . . . . . . . . . . . 8.35 . . . . A 67 . N A 67 . HN parsed_1n7t 1
50 . . . . . . . . . . . . . . . . 17.04 . . . . A 68 . N A 68 . HN parsed_1n7t 1
51 . . . . . . . . . . . . . . . . 19.33 . . . . A 69 . N A 69 . HN parsed_1n7t 1
52 . . . . . . . . . . . . . . . . 12.86 . . . . A 70 . N A 70 . HN parsed_1n7t 1
53 . . . . . . . . . . . . . . . . 7.04 . . . . A 71 . N A 71 . HN parsed_1n7t 1
54 . . . . . . . . . . . . . . . . 18.02 . . . . A 72 . N A 72 . HN parsed_1n7t 1
55 . . . . . . . . . . . . . . . . 6.88 . . . . A 73 . N A 73 . HN parsed_1n7t 1
56 . . . . . . . . . . . . . . . . -12.61 . . . . A 74 . N A 74 . HN parsed_1n7t 1
57 . . . . . . . . . . . . . . . . -22.36 . . . . A 75 . N A 75 . HN parsed_1n7t 1
58 . . . . . . . . . . . . . . . . 3.85 . . . . A 76 . N A 76 . HN parsed_1n7t 1
59 . . . . . . . . . . . . . . . . 3.28 . . . . A 77 . N A 77 . HN parsed_1n7t 1
60 . . . . . . . . . . . . . . . . -1.47 . . . . A 78 . N A 78 . HN parsed_1n7t 1
61 . . . . . . . . . . . . . . . . 10.32 . . . . A 79 . N A 79 . HN parsed_1n7t 1
62 . . . . . . . . . . . . . . . . 14.82 . . . . A 80 . N A 80 . HN parsed_1n7t 1
63 . . . . . . . . . . . . . . . . 25.14 . . . . A 81 . N A 81 . HN parsed_1n7t 1
64 . . . . . . . . . . . . . . . . 7.62 . . . . A 82 . N A 82 . HN parsed_1n7t 1
65 . . . . . . . . . . . . . . . . 10.40 . . . . A 83 . N A 83 . HN parsed_1n7t 1
66 . . . . . . . . . . . . . . . . 25.88 . . . . A 84 . N A 84 . HN parsed_1n7t 1
67 . . . . . . . . . . . . . . . . 24.33 . . . . A 85 . N A 85 . HN parsed_1n7t 1
68 . . . . . . . . . . . . . . . . 10.73 . . . . A 86 . N A 86 . HN parsed_1n7t 1
69 . . . . . . . . . . . . . . . . 20.23 . . . . A 87 . N A 87 . HN parsed_1n7t 1
70 . . . . . . . . . . . . . . . . 32.02 . . . . A 88 . N A 88 . HN parsed_1n7t 1
71 . . . . . . . . . . . . . . . . 14.25 . . . . A 89 . N A 89 . HN parsed_1n7t 1
72 . . . . . . . . . . . . . . . . -15.73 . . . . A 90 . N A 90 . HN parsed_1n7t 1
73 . . . . . . . . . . . . . . . . -14.66 . . . . A 91 . N A 91 . HN parsed_1n7t 1
74 . . . . . . . . . . . . . . . . -0.98 . . . . A 92 . N A 92 . HN parsed_1n7t 1
75 . . . . . . . . . . . . . . . . 6.63 . . . . A 93 . N A 93 . HN parsed_1n7t 1
76 . . . . . . . . . . . . . . . . 8.60 . . . . A 94 . N A 94 . HN parsed_1n7t 1
77 . . . . . . . . . . . . . . . . 17.69 . . . . A 95 . N A 95 . HN parsed_1n7t 1
78 . . . . . . . . . . . . . . . . -3.69 . . . . A 96 . N A 96 . HN parsed_1n7t 1
79 . . . . . . . . . . . . . . . . -10.65 . . . . A 97 . N A 97 . HN parsed_1n7t 1
80 . . . . . . . . . . . . . . . . -35.55 . . . . A 98 . N A 98 . HN parsed_1n7t 1
81 . . . . . . . . . . . . . . . . -39.40 . . . . A 99 . N A 99 . HN parsed_1n7t 1
82 . . . . . . . . . . . . . . . . -29.57 . . . . A 100 . N A 100 . HN parsed_1n7t 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
;
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!! RDC begin here !!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
;
1 1 6 43 parsed_1n7t 1
2 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! 499 1 499 80 parsed_1n7t 1
stop_
save_
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