NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
516531 |
2k2f   |
15704 | cing | 2-parsed | STAR | dipolar coupling | 118 |
data_2k2f_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2k2f
_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_2k2f 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2k2f
_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 2k2f "Master copy" parsed_2k2f
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2k2f
_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 2k2f.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2k2f 1
1 2k2f.mr . . XPLOR/CNS 2 distance NOE simple 3154 parsed_2k2f 1
1 2k2f.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 172 parsed_2k2f 1
1 2k2f.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 278 parsed_2k2f 1
1 2k2f.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 116 parsed_2k2f 1
1 2k2f.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 118 parsed_2k2f 1
1 2k2f.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2k2f 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_6
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2k2f
_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 . . . . . . . . . . . . . . . . -9.05 . . . . sam1 2 . ca sam1 2 . ha parsed_2k2f 1
2 . . . . . . . . . . . . . . . . 0 . . . . sam1 3 . ca sam1 3 . ha parsed_2k2f 1
3 . . . . . . . . . . . . . . . . 16.60 . . . . sam1 4 . ca sam1 4 . ha parsed_2k2f 1
4 . . . . . . . . . . . . . . . . -21.13 . . . . sam1 5 . ca sam1 5 . ha parsed_2k2f 1
5 . . . . . . . . . . . . . . . . 0 . . . . sam1 6 . ca sam1 6 . ha parsed_2k2f 1
6 . . . . . . . . . . . . . . . . 7.55 . . . . sam1 7 . ca sam1 7 . ha parsed_2k2f 1
7 . . . . . . . . . . . . . . . . 0 . . . . sam1 9 . ca sam1 9 . ha parsed_2k2f 1
8 . . . . . . . . . . . . . . . . -13.58 . . . . sam1 10 . ca sam1 10 . ha parsed_2k2f 1
9 . . . . . . . . . . . . . . . . 18.11 . . . . sam1 11 . ca sam1 11 . ha parsed_2k2f 1
10 . . . . . . . . . . . . . . . . -21.16 . . . . sam1 12 . ca sam1 12 . ha parsed_2k2f 1
11 . . . . . . . . . . . . . . . . 1.51 . . . . sam1 13 . ca sam1 13 . ha parsed_2k2f 1
12 . . . . . . . . . . . . . . . . 0.00 . . . . sam1 14 . ca sam1 14 . ha parsed_2k2f 1
13 . . . . . . . . . . . . . . . . -3.02 . . . . sam1 15 . ca sam1 15 . ha parsed_2k2f 1
14 . . . . . . . . . . . . . . . . -1.51 . . . . sam1 17 . ca sam1 17 . ha parsed_2k2f 1
15 . . . . . . . . . . . . . . . . 4.53 . . . . sam1 18 . ca sam1 18 . ha parsed_2k2f 1
16 . . . . . . . . . . . . . . . . -3.02 . . . . sam1 19 . ca sam1 19 . ha parsed_2k2f 1
17 . . . . . . . . . . . . . . . . -27.16 . . . . sam1 21 . ca sam1 21 . ha parsed_2k2f 1
18 . . . . . . . . . . . . . . . . -10.56 . . . . sam1 26 . ca sam1 26 . ha parsed_2k2f 1
19 . . . . . . . . . . . . . . . . 27.16 . . . . sam1 27 . ca sam1 27 . ha parsed_2k2f 1
20 . . . . . . . . . . . . . . . . -27.16 . . . . sam1 28 . ca sam1 28 . ha parsed_2k2f 1
21 . . . . . . . . . . . . . . . . 25.65 . . . . sam1 30 . ca sam1 30 . ha parsed_2k2f 1
22 . . . . . . . . . . . . . . . . 1.51 . . . . sam1 31 . ca sam1 31 . ha parsed_2k2f 1
23 . . . . . . . . . . . . . . . . -24.65 . . . . sam1 32 . ca sam1 32 . ha parsed_2k2f 1
24 . . . . . . . . . . . . . . . . 3.02 . . . . sam1 35 . ca sam1 35 . ha parsed_2k2f 1
25 . . . . . . . . . . . . . . . . 27.16 . . . . sam1 37 . ca sam1 37 . ha parsed_2k2f 1
26 . . . . . . . . . . . . . . . . 0 . . . . sam1 38 . ca sam1 38 . ha parsed_2k2f 1
27 . . . . . . . . . . . . . . . . 6.04 . . . . sam1 39 . ca sam1 39 . ha parsed_2k2f 1
28 . . . . . . . . . . . . . . . . 1.51 . . . . sam1 41 . ca sam1 41 . ha parsed_2k2f 1
29 . . . . . . . . . . . . . . . . -3.02 . . . . sam1 42 . ca sam1 42 . ha parsed_2k2f 1
30 . . . . . . . . . . . . . . . . -25.65 . . . . sam1 45 . ca sam1 45 . ha parsed_2k2f 1
31 . . . . . . . . . . . . . . . . -25.65 . . . . sam1 46 . ca sam1 46 . ha parsed_2k2f 1
32 . . . . . . . . . . . . . . . . -12.07 . . . . sam1 51 . ca sam1 51 . ha parsed_2k2f 1
33 . . . . . . . . . . . . . . . . -3.02 . . . . sam1 52 . ca sam1 52 . ha parsed_2k2f 1
34 . . . . . . . . . . . . . . . . -1.51 . . . . sam1 53 . ca sam1 53 . ha parsed_2k2f 1
35 . . . . . . . . . . . . . . . . 18.11 . . . . sam1 54 . ca sam1 54 . ha parsed_2k2f 1
36 . . . . . . . . . . . . . . . . 1.51 . . . . sam1 55 . ca sam1 55 . ha parsed_2k2f 1
37 . . . . . . . . . . . . . . . . -27.16 . . . . sam1 56 . ca sam1 56 . ha parsed_2k2f 1
38 . . . . . . . . . . . . . . . . 1.51 . . . . sam1 57 . ca sam1 57 . ha parsed_2k2f 1
39 . . . . . . . . . . . . . . . . 18.11 . . . . sam1 58 . ca sam1 58 . ha parsed_2k2f 1
40 . . . . . . . . . . . . . . . . 0.00 . . . . sam1 59 . ca sam1 59 . ha parsed_2k2f 1
41 . . . . . . . . . . . . . . . . -27.16 . . . . sam1 60 . ca sam1 60 . ha parsed_2k2f 1
42 . . . . . . . . . . . . . . . . 9.05 . . . . sam1 61 . ca sam1 61 . ha parsed_2k2f 1
43 . . . . . . . . . . . . . . . . 12.07 . . . . sam1 62 . ca sam1 62 . ha parsed_2k2f 1
44 . . . . . . . . . . . . . . . . 0.00 . . . . sam1 63 . ca sam1 63 . ha parsed_2k2f 1
45 . . . . . . . . . . . . . . . . -24.15 . . . . sam1 64 . ca sam1 64 . ha parsed_2k2f 1
46 . . . . . . . . . . . . . . . . 0.00 . . . . sam1 66 . ca sam1 66 . ha parsed_2k2f 1
47 . . . . . . . . . . . . . . . . -6.04 . . . . sam1 68 . ca sam1 68 . ha parsed_2k2f 1
48 . . . . . . . . . . . . . . . . -31.69 . . . . sam1 69 . ca sam1 69 . ha parsed_2k2f 1
49 . . . . . . . . . . . . . . . . 0.00 . . . . sam1 70 . ca sam1 70 . ha parsed_2k2f 1
50 . . . . . . . . . . . . . . . . 1.51 . . . . sam1 72 . ca sam1 72 . ha parsed_2k2f 1
51 . . . . . . . . . . . . . . . . 0.00 . . . . sam1 73 . ca sam1 73 . ha parsed_2k2f 1
52 . . . . . . . . . . . . . . . . -25.15 . . . . sam1 75 . ca sam1 75 . ha parsed_2k2f 1
53 . . . . . . . . . . . . . . . . 1.51 . . . . sam1 77 . ca sam1 77 . ha parsed_2k2f 1
54 . . . . . . . . . . . . . . . . 18.11 . . . . sam1 78 . ca sam1 78 . ha parsed_2k2f 1
55 . . . . . . . . . . . . . . . . -30.18 . . . . sam1 79 . ca sam1 79 . ha parsed_2k2f 1
56 . . . . . . . . . . . . . . . . -10.56 . . . . sam1 81 . ca sam1 81 . ha parsed_2k2f 1
57 . . . . . . . . . . . . . . . . 18.11 . . . . sam1 82 . ca sam1 82 . ha parsed_2k2f 1
58 . . . . . . . . . . . . . . . . 0.00 . . . . sam1 88 . ca sam1 88 . ha parsed_2k2f 1
59 . . . . . . . . . . . . . . . . -3.02 . . . . sam1 92 . ca sam1 92 . ha parsed_2k2f 1
60 . . . . . . . . . . . . . . . . -9.05 . . . . sam2 2 . ca sam2 2 . ha parsed_2k2f 1
61 . . . . . . . . . . . . . . . . 0 . . . . sam2 3 . ca sam2 3 . ha parsed_2k2f 1
62 . . . . . . . . . . . . . . . . 16.6 . . . . sam1 4 . ca sam1 4 . ha parsed_2k2f 1
63 . . . . . . . . . . . . . . . . -21.13 . . . . sam2 5 . ca sam2 5 . ha parsed_2k2f 1
64 . . . . . . . . . . . . . . . . 0 . . . . sam2 6 . ca sam2 6 . ha parsed_2k2f 1
65 . . . . . . . . . . . . . . . . 7.55 . . . . sam2 7 . ca sam2 7 . ha parsed_2k2f 1
66 . . . . . . . . . . . . . . . . 0 . . . . sam2 9 . ca sam2 9 . ha parsed_2k2f 1
67 . . . . . . . . . . . . . . . . -13.58 . . . . sam2 10 . ca sam2 10 . ha parsed_2k2f 1
68 . . . . . . . . . . . . . . . . 18.11 . . . . sam2 11 . ca sam2 11 . ha parsed_2k2f 1
69 . . . . . . . . . . . . . . . . -21.16 . . . . sam2 12 . ca sam2 12 . ha parsed_2k2f 1
70 . . . . . . . . . . . . . . . . 1.51 . . . . sam2 13 . ca sam2 13 . ha parsed_2k2f 1
71 . . . . . . . . . . . . . . . . 0.00 . . . . sam2 14 . ca sam2 14 . ha parsed_2k2f 1
72 . . . . . . . . . . . . . . . . -3.02 . . . . sam2 15 . ca sam2 15 . ha parsed_2k2f 1
73 . . . . . . . . . . . . . . . . -1.51 . . . . sam2 17 . ca sam2 17 . ha parsed_2k2f 1
74 . . . . . . . . . . . . . . . . 4.53 . . . . sam2 18 . ca sam2 18 . ha parsed_2k2f 1
75 . . . . . . . . . . . . . . . . -3.02 . . . . sam2 19 . ca sam2 19 . ha parsed_2k2f 1
76 . . . . . . . . . . . . . . . . -27.16 . . . . sam2 21 . ca sam2 21 . ha parsed_2k2f 1
77 . . . . . . . . . . . . . . . . -10.56 . . . . sam2 26 . ca sam2 26 . ha parsed_2k2f 1
78 . . . . . . . . . . . . . . . . 27.16 . . . . sam2 27 . ca sam2 27 . ha parsed_2k2f 1
79 . . . . . . . . . . . . . . . . -27.16 . . . . sam2 28 . ca sam2 28 . ha parsed_2k2f 1
80 . . . . . . . . . . . . . . . . 25.65 . . . . sam2 30 . ca sam2 30 . ha parsed_2k2f 1
81 . . . . . . . . . . . . . . . . 1.51 . . . . sam2 31 . ca sam2 31 . ha parsed_2k2f 1
82 . . . . . . . . . . . . . . . . -24.65 . . . . sam2 32 . ca sam2 32 . ha parsed_2k2f 1
83 . . . . . . . . . . . . . . . . 3.02 . . . . sam2 35 . ca sam2 35 . ha parsed_2k2f 1
84 . . . . . . . . . . . . . . . . 27.16 . . . . sam2 37 . ca sam2 37 . ha parsed_2k2f 1
85 . . . . . . . . . . . . . . . . 0 . . . . sam2 38 . ca sam2 38 . ha parsed_2k2f 1
86 . . . . . . . . . . . . . . . . 6.04 . . . . sam2 39 . ca sam2 39 . ha parsed_2k2f 1
87 . . . . . . . . . . . . . . . . 1.51 . . . . sam2 41 . ca sam2 41 . ha parsed_2k2f 1
88 . . . . . . . . . . . . . . . . -3.02 . . . . sam2 42 . ca sam2 42 . ha parsed_2k2f 1
89 . . . . . . . . . . . . . . . . -25.65 . . . . sam2 45 . ca sam2 45 . ha parsed_2k2f 1
90 . . . . . . . . . . . . . . . . -25.65 . . . . sam2 46 . ca sam2 46 . ha parsed_2k2f 1
91 . . . . . . . . . . . . . . . . -12.07 . . . . sam2 51 . ca sam2 51 . ha parsed_2k2f 1
92 . . . . . . . . . . . . . . . . -3.02 . . . . sam2 52 . ca sam2 52 . ha parsed_2k2f 1
93 . . . . . . . . . . . . . . . . -1.51 . . . . sam2 53 . ca sam2 53 . ha parsed_2k2f 1
94 . . . . . . . . . . . . . . . . 18.11 . . . . sam2 54 . ca sam2 54 . ha parsed_2k2f 1
95 . . . . . . . . . . . . . . . . 1.51 . . . . sam2 55 . ca sam2 55 . ha parsed_2k2f 1
96 . . . . . . . . . . . . . . . . -27.16 . . . . sam2 56 . ca sam2 56 . ha parsed_2k2f 1
97 . . . . . . . . . . . . . . . . 1.51 . . . . sam2 57 . ca sam2 57 . ha parsed_2k2f 1
98 . . . . . . . . . . . . . . . . 18.11 . . . . sam2 58 . ca sam2 58 . ha parsed_2k2f 1
99 . . . . . . . . . . . . . . . . 0.00 . . . . sam2 59 . ca sam2 59 . ha parsed_2k2f 1
100 . . . . . . . . . . . . . . . . -27.16 . . . . sam2 60 . ca sam2 60 . ha parsed_2k2f 1
101 . . . . . . . . . . . . . . . . 9.05 . . . . sam2 61 . ca sam2 61 . ha parsed_2k2f 1
102 . . . . . . . . . . . . . . . . 12.07 . . . . sam2 62 . ca sam2 62 . ha parsed_2k2f 1
103 . . . . . . . . . . . . . . . . 0.00 . . . . sam2 63 . ca sam2 63 . ha parsed_2k2f 1
104 . . . . . . . . . . . . . . . . -24.15 . . . . sam2 64 . ca sam2 64 . ha parsed_2k2f 1
105 . . . . . . . . . . . . . . . . 0.00 . . . . sam2 66 . ca sam2 66 . ha parsed_2k2f 1
106 . . . . . . . . . . . . . . . . -6.04 . . . . sam2 68 . ca sam2 68 . ha parsed_2k2f 1
107 . . . . . . . . . . . . . . . . -31.69 . . . . sam2 69 . ca sam2 69 . ha parsed_2k2f 1
108 . . . . . . . . . . . . . . . . 0.00 . . . . sam2 70 . ca sam2 70 . ha parsed_2k2f 1
109 . . . . . . . . . . . . . . . . 1.51 . . . . sam2 72 . ca sam2 72 . ha parsed_2k2f 1
110 . . . . . . . . . . . . . . . . 0.00 . . . . sam2 73 . ca sam2 73 . ha parsed_2k2f 1
111 . . . . . . . . . . . . . . . . -25.65 . . . . sam2 75 . ca sam2 75 . ha parsed_2k2f 1
112 . . . . . . . . . . . . . . . . 1.51 . . . . sam2 77 . ca sam2 77 . ha parsed_2k2f 1
113 . . . . . . . . . . . . . . . . 18.11 . . . . sam2 78 . ca sam2 78 . ha parsed_2k2f 1
114 . . . . . . . . . . . . . . . . -30.18 . . . . sam2 79 . ca sam2 79 . ha parsed_2k2f 1
115 . . . . . . . . . . . . . . . . -10.56 . . . . sam2 81 . ca sam2 81 . ha parsed_2k2f 1
116 . . . . . . . . . . . . . . . . 18.11 . . . . sam2 82 . ca sam2 82 . ha parsed_2k2f 1
117 . . . . . . . . . . . . . . . . 0.00 . . . . sam2 88 . ca sam2 88 . ha parsed_2k2f 1
118 . . . . . . . . . . . . . . . . -3.02 . . . . sam2 92 . ca sam2 92 . ha parsed_2k2f 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 "CaHa RDC values" 1 1 1 17 parsed_2k2f 1
stop_
save_
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