NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
617965 |
5xk4   |
36081 | cing | 2-parsed | STAR | dipolar coupling | 99 |
data_5xk4_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5xk4
_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_5xk4 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5xk4
_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 5xk4 "Master copy" parsed_5xk4
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5xk4
_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 5xk4.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5xk4 1
1 5xk4.mr . . XPLOR/CNS 2 distance NOE simple 440 parsed_5xk4 1
1 5xk4.mr . . XPLOR/CNS 3 distance NOE ambi 362 parsed_5xk4 1
1 5xk4.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 133 parsed_5xk4 1
1 5xk4.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 99 parsed_5xk4 1
1 5xk4.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5xk4 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_5xk4
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 5
_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 . . . . . . . . . . . . . . . . -0.638631 . . . . . 2 . HN . 2 . N parsed_5xk4 1
2 . . . . . . . . . . . . . . . . 2.7674 . . . . . 3 . HN . 3 . N parsed_5xk4 1
3 . . . . . . . . . . . . . . . . 1.41918 . . . . . 4 . HN . 4 . N parsed_5xk4 1
4 . . . . . . . . . . . . . . . . 10.5019 . . . . . 5 . HN . 5 . N parsed_5xk4 1
5 . . . . . . . . . . . . . . . . 8.79892 . . . . . 6 . HN . 6 . N parsed_5xk4 1
6 . . . . . . . . . . . . . . . . -0.354795 . . . . . 7 . HN . 7 . N parsed_5xk4 1
7 . . . . . . . . . . . . . . . . 0.212877 . . . . . 8 . HN . 8 . N parsed_5xk4 1
8 . . . . . . . . . . . . . . . . -12.5597 . . . . . 11 . HN . 11 . N parsed_5xk4 1
9 . . . . . . . . . . . . . . . . 6.03151 . . . . . 13 . HN . 13 . N parsed_5xk4 1
10 . . . . . . . . . . . . . . . . 7.94741 . . . . . 14 . HN . 14 . N parsed_5xk4 1
11 . . . . . . . . . . . . . . . . 1.34822 . . . . . 15 . HN . 15 . N parsed_5xk4 1
12 . . . . . . . . . . . . . . . . -6.95398 . . . . . 16 . HN . 16 . N parsed_5xk4 1
13 . . . . . . . . . . . . . . . . -11.4244 . . . . . 17 . HN . 17 . N parsed_5xk4 1
14 . . . . . . . . . . . . . . . . -19.9395 . . . . . 18 . HN . 18 . N parsed_5xk4 1
15 . . . . . . . . . . . . . . . . -2.90932 . . . . . 21 . HN . 21 . N parsed_5xk4 1
16 . . . . . . . . . . . . . . . . 7.02494 . . . . . 22 . HN . 22 . N parsed_5xk4 1
17 . . . . . . . . . . . . . . . . 9.8633 . . . . . 23 . HN . 23 . N parsed_5xk4 1
18 . . . . . . . . . . . . . . . . 2.27069 . . . . . 26 . HN . 26 . N parsed_5xk4 1
19 . . . . . . . . . . . . . . . . 6.24439 . . . . . 28 . HN . 28 . N parsed_5xk4 1
20 . . . . . . . . . . . . . . . . 5.39288 . . . . . 29 . HN . 29 . N parsed_5xk4 1
21 . . . . . . . . . . . . . . . . 2.19973 . . . . . 30 . HN . 30 . N parsed_5xk4 1
22 . . . . . . . . . . . . . . . . 5.32192 . . . . . 31 . HN . 31 . N parsed_5xk4 1
23 . . . . . . . . . . . . . . . . 3.26411 . . . . . 32 . HN . 32 . N parsed_5xk4 1
24 . . . . . . . . . . . . . . . . 3.90274 . . . . . 33 . HN . 33 . N parsed_5xk4 1
25 . . . . . . . . . . . . . . . . 11.2115 . . . . . 40 . HN . 40 . N parsed_5xk4 1
26 . . . . . . . . . . . . . . . . 13.3403 . . . . . 41 . HN . 41 . N parsed_5xk4 1
27 . . . . . . . . . . . . . . . . 13.837 . . . . . 42 . HN . 42 . N parsed_5xk4 1
28 . . . . . . . . . . . . . . . . 11.5663 . . . . . 43 . HN . 43 . N parsed_5xk4 1
29 . . . . . . . . . . . . . . . . 11.3534 . . . . . 44 . HN . 44 . N parsed_5xk4 1
30 . . . . . . . . . . . . . . . . 5.03809 . . . . . 45 . HN . 45 . N parsed_5xk4 1
31 . . . . . . . . . . . . . . . . 0 . . . . . 48 . HN . 48 . N parsed_5xk4 1
32 . . . . . . . . . . . . . . . . 4.3285 . . . . . 49 . HN . 49 . N parsed_5xk4 1
33 . . . . . . . . . . . . . . . . 11.1406 . . . . . 50 . HN . 50 . N parsed_5xk4 1
34 . . . . . . . . . . . . . . . . -22.3521 . . . . . 51 . HN . 51 . N parsed_5xk4 1
35 . . . . . . . . . . . . . . . . 4.3285 . . . . . 54 . HN . 54 . N parsed_5xk4 1
36 . . . . . . . . . . . . . . . . 5.74768 . . . . . 55 . HN . 55 . N parsed_5xk4 1
37 . . . . . . . . . . . . . . . . 9.72138 . . . . . 56 . HN . 56 . N parsed_5xk4 1
38 . . . . . . . . . . . . . . . . 7.45069 . . . . . 57 . HN . 57 . N parsed_5xk4 1
39 . . . . . . . . . . . . . . . . -5.81864 . . . . . 58 . HN . 58 . N parsed_5xk4 1
40 . . . . . . . . . . . . . . . . 6.38631 . . . . . 59 . HN . 59 . N parsed_5xk4 1
41 . . . . . . . . . . . . . . . . -0.567672 . . . . . 62 . HN . 62 . N parsed_5xk4 1
42 . . . . . . . . . . . . . . . . -8.657 . . . . . 63 . HN . 63 . N parsed_5xk4 1
43 . . . . . . . . . . . . . . . . -12.5597 . . . . . 64 . HN . 64 . N parsed_5xk4 1
44 . . . . . . . . . . . . . . . . -2.41261 . . . . . 65 . HN . 65 . N parsed_5xk4 1
45 . . . . . . . . . . . . . . . . 4.39946 . . . . . 66 . HN . 66 . N parsed_5xk4 1
46 . . . . . . . . . . . . . . . . 9.15371 . . . . . 69 . HN . 69 . N parsed_5xk4 1
47 . . . . . . . . . . . . . . . . 10.9277 . . . . . 70 . HN . 70 . N parsed_5xk4 1
48 . . . . . . . . . . . . . . . . 8.58604 . . . . . 71 . HN . 71 . N parsed_5xk4 1
49 . . . . . . . . . . . . . . . . 11.9921 . . . . . 72 . HN . 72 . N parsed_5xk4 1
50 . . . . . . . . . . . . . . . . 12.134 . . . . . 73 . HN . 73 . N parsed_5xk4 1
51 . . . . . . . . . . . . . . . . 13.5532 . . . . . 74 . HN . 74 . N parsed_5xk4 1
52 . . . . . . . . . . . . . . . . 2.12877 . . . . . 3 . HN . 3 . N parsed_5xk4 1
53 . . . . . . . . . . . . . . . . 6.87289 . . . . . 5 . HN . 5 . N parsed_5xk4 1
54 . . . . . . . . . . . . . . . . -4.01425 . . . . . 6 . HN . 6 . N parsed_5xk4 1
55 . . . . . . . . . . . . . . . . 2.25041 . . . . . 7 . HN . 7 . N parsed_5xk4 1
56 . . . . . . . . . . . . . . . . 0 . . . . . 8 . HN . 8 . N parsed_5xk4 1
57 . . . . . . . . . . . . . . . . -10.8263 . . . . . 11 . HN . 11 . N parsed_5xk4 1
58 . . . . . . . . . . . . . . . . -1.9463 . . . . . 14 . HN . 14 . N parsed_5xk4 1
59 . . . . . . . . . . . . . . . . 3.0411 . . . . . 15 . HN . 15 . N parsed_5xk4 1
60 . . . . . . . . . . . . . . . . -7.48111 . . . . . 16 . HN . 16 . N parsed_5xk4 1
61 . . . . . . . . . . . . . . . . -9.79234 . . . . . 17 . HN . 17 . N parsed_5xk4 1
62 . . . . . . . . . . . . . . . . -15.3271 . . . . . 18 . HN . 18 . N parsed_5xk4 1
63 . . . . . . . . . . . . . . . . -3.40603 . . . . . 21 . HN . 21 . N parsed_5xk4 1
64 . . . . . . . . . . . . . . . . 12.1644 . . . . . 22 . HN . 22 . N parsed_5xk4 1
65 . . . . . . . . . . . . . . . . -4.44001 . . . . . 23 . HN . 23 . N parsed_5xk4 1
66 . . . . . . . . . . . . . . . . -7.78522 . . . . . 25 . HN . 25 . N parsed_5xk4 1
67 . . . . . . . . . . . . . . . . -5.16987 . . . . . 27 . HN . 27 . N parsed_5xk4 1
68 . . . . . . . . . . . . . . . . -8.27179 . . . . . 28 . HN . 28 . N parsed_5xk4 1
69 . . . . . . . . . . . . . . . . -5.83891 . . . . . 29 . HN . 29 . N parsed_5xk4 1
70 . . . . . . . . . . . . . . . . -9.30577 . . . . . 32 . HN . 32 . N parsed_5xk4 1
71 . . . . . . . . . . . . . . . . 7.96768 . . . . . 35 . HN . 35 . N parsed_5xk4 1
72 . . . . . . . . . . . . . . . . 5.47398 . . . . . 39 . HN . 39 . N parsed_5xk4 1
73 . . . . . . . . . . . . . . . . 12.5293 . . . . . 41 . HN . 41 . N parsed_5xk4 1
74 . . . . . . . . . . . . . . . . -2.91946 . . . . . 42 . HN . 42 . N parsed_5xk4 1
75 . . . . . . . . . . . . . . . . -4.01425 . . . . . 43 . HN . 43 . N parsed_5xk4 1
76 . . . . . . . . . . . . . . . . -5.29151 . . . . . 44 . HN . 44 . N parsed_5xk4 1
77 . . . . . . . . . . . . . . . . -4.56165 . . . . . 45 . HN . 45 . N parsed_5xk4 1
78 . . . . . . . . . . . . . . . . -2.98028 . . . . . 47 . HN . 47 . N parsed_5xk4 1
79 . . . . . . . . . . . . . . . . 7.29864 . . . . . 49 . HN . 49 . N parsed_5xk4 1
80 . . . . . . . . . . . . . . . . -6.20384 . . . . . 50 . HN . 50 . N parsed_5xk4 1
81 . . . . . . . . . . . . . . . . -15.2055 . . . . . 51 . HN . 51 . N parsed_5xk4 1
82 . . . . . . . . . . . . . . . . 9.48823 . . . . . 52 . HN . 52 . N parsed_5xk4 1
83 . . . . . . . . . . . . . . . . -1.39891 . . . . . 54 . HN . 54 . N parsed_5xk4 1
84 . . . . . . . . . . . . . . . . -4.80494 . . . . . 55 . HN . 55 . N parsed_5xk4 1
85 . . . . . . . . . . . . . . . . 13.9282 . . . . . 56 . HN . 56 . N parsed_5xk4 1
86 . . . . . . . . . . . . . . . . 13.9891 . . . . . 57 . HN . 57 . N parsed_5xk4 1
87 . . . . . . . . . . . . . . . . -6.02138 . . . . . 58 . HN . 58 . N parsed_5xk4 1
88 . . . . . . . . . . . . . . . . -3.46685 . . . . . 62 . HN . 62 . N parsed_5xk4 1
89 . . . . . . . . . . . . . . . . -5.77809 . . . . . 63 . HN . 63 . N parsed_5xk4 1
90 . . . . . . . . . . . . . . . . -6.56878 . . . . . 64 . HN . 64 . N parsed_5xk4 1
91 . . . . . . . . . . . . . . . . -3.34521 . . . . . 65 . HN . 65 . N parsed_5xk4 1
92 . . . . . . . . . . . . . . . . 4.86576 . . . . . 66 . HN . 66 . N parsed_5xk4 1
93 . . . . . . . . . . . . . . . . 4.37918 . . . . . 67 . HN . 67 . N parsed_5xk4 1
94 . . . . . . . . . . . . . . . . -1.0948 . . . . . 68 . HN . 68 . N parsed_5xk4 1
95 . . . . . . . . . . . . . . . . 5.83891 . . . . . 69 . HN . 69 . N parsed_5xk4 1
96 . . . . . . . . . . . . . . . . -5.10905 . . . . . 70 . HN . 70 . N parsed_5xk4 1
97 . . . . . . . . . . . . . . . . -6.38631 . . . . . 71 . HN . 71 . N parsed_5xk4 1
98 . . . . . . . . . . . . . . . . 0 . . . . . 72 . HN . 72 . N parsed_5xk4 1
99 . . . . . . . . . . . . . . . . 10.8871 . . . . . 73 . HN . 73 . N parsed_5xk4 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 "# Restraints file 3: minor_pUb_peg_rdc.tbl" 1 1 1 42 parsed_5xk4 1
2 "# Restraints file 4: minor_pf1_hn.tbl" 360 1 360 37 parsed_5xk4 1
stop_
save_
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