NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
532962 |
2kly   |
16404 | cing | 2-parsed | STAR | dipolar coupling | 90 |
data_2kly_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kly
_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_2kly 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kly
_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 2kly "Master copy" parsed_2kly
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kly
_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 2kly.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kly 1
1 2kly.mr . . XPLOR/CNS 2 distance NOE simple 2501 parsed_2kly 1
1 2kly.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 90 parsed_2kly 1
1 2kly.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2kly 1
1 2kly.mr . . XPLOR/CNS 5 "coupling constant" "Not applicable" "Not applicable" 0 parsed_2kly 1
1 2kly.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kly 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2kly
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . -1.27 . . . . . 3 . N . 3 . HN parsed_2kly 1
2 . . . . . . . . . . . . . . . . 10.12 . . . . . 5 . N . 5 . HN parsed_2kly 1
3 . . . . . . . . . . . . . . . . -0.88 . . . . . 7 . N . 7 . HN parsed_2kly 1
4 . . . . . . . . . . . . . . . . 8.17 . . . . . 9 . N . 9 . HN parsed_2kly 1
5 . . . . . . . . . . . . . . . . -8.24 . . . . . 10 . N . 10 . HN parsed_2kly 1
6 . . . . . . . . . . . . . . . . 0.79 . . . . . 11 . N . 11 . HN parsed_2kly 1
7 . . . . . . . . . . . . . . . . 8.58 . . . . . 12 . N . 12 . HN parsed_2kly 1
8 . . . . . . . . . . . . . . . . -1.57 . . . . . 13 . N . 13 . HN parsed_2kly 1
9 . . . . . . . . . . . . . . . . 2.90 . . . . . 15 . N . 15 . HN parsed_2kly 1
10 . . . . . . . . . . . . . . . . -11.14 . . . . . 17 . N . 17 . HN parsed_2kly 1
11 . . . . . . . . . . . . . . . . -3.65 . . . . . 18 . N . 18 . HN parsed_2kly 1
12 . . . . . . . . . . . . . . . . 17.22 . . . . . 22 . N . 22 . HN parsed_2kly 1
13 . . . . . . . . . . . . . . . . -2.69 . . . . . 23 . N . 23 . HN parsed_2kly 1
14 . . . . . . . . . . . . . . . . 9.20 . . . . . 24 . N . 24 . HN parsed_2kly 1
15 . . . . . . . . . . . . . . . . -3.28 . . . . . 25 . N . 25 . HN parsed_2kly 1
16 . . . . . . . . . . . . . . . . 4.58 . . . . . 26 . N . 26 . HN parsed_2kly 1
17 . . . . . . . . . . . . . . . . 2.93 . . . . . 27 . N . 27 . HN parsed_2kly 1
18 . . . . . . . . . . . . . . . . -1.58 . . . . . 29 . N . 29 . HN parsed_2kly 1
19 . . . . . . . . . . . . . . . . 1.05 . . . . . 30 . N . 30 . HN parsed_2kly 1
20 . . . . . . . . . . . . . . . . -5.62 . . . . . 33 . N . 33 . HN parsed_2kly 1
21 . . . . . . . . . . . . . . . . 13.35 . . . . . 35 . N . 35 . HN parsed_2kly 1
22 . . . . . . . . . . . . . . . . -9.74 . . . . . 37 . N . 37 . HN parsed_2kly 1
23 . . . . . . . . . . . . . . . . -6.95 . . . . . 38 . N . 38 . HN parsed_2kly 1
24 . . . . . . . . . . . . . . . . 2.23 . . . . . 39 . N . 39 . HN parsed_2kly 1
25 . . . . . . . . . . . . . . . . 0.99 . . . . . 40 . N . 40 . HN parsed_2kly 1
26 . . . . . . . . . . . . . . . . 13.86 . . . . . 41 . N . 41 . HN parsed_2kly 1
27 . . . . . . . . . . . . . . . . 11.62 . . . . . 43 . N . 43 . HN parsed_2kly 1
28 . . . . . . . . . . . . . . . . -16.29 . . . . . 45 . N . 45 . HN parsed_2kly 1
29 . . . . . . . . . . . . . . . . 3.40 . . . . . 46 . N . 46 . HN parsed_2kly 1
30 . . . . . . . . . . . . . . . . -2.60 . . . . . 47 . N . 47 . HN parsed_2kly 1
31 . . . . . . . . . . . . . . . . 0.62 . . . . . 48 . N . 48 . HN parsed_2kly 1
32 . . . . . . . . . . . . . . . . -9.02 . . . . . 50 . N . 50 . HN parsed_2kly 1
33 . . . . . . . . . . . . . . . . -2.12 . . . . . 51 . N . 51 . HN parsed_2kly 1
34 . . . . . . . . . . . . . . . . 6.01 . . . . . 52 . N . 52 . HN parsed_2kly 1
35 . . . . . . . . . . . . . . . . 6.58 . . . . . 53 . N . 53 . HN parsed_2kly 1
36 . . . . . . . . . . . . . . . . 20.98 . . . . . 54 . N . 54 . HN parsed_2kly 1
37 . . . . . . . . . . . . . . . . -1.98 . . . . . 56 . N . 56 . HN parsed_2kly 1
38 . . . . . . . . . . . . . . . . -10.13 . . . . . 57 . N . 57 . HN parsed_2kly 1
39 . . . . . . . . . . . . . . . . -7.26 . . . . . 58 . N . 58 . HN parsed_2kly 1
40 . . . . . . . . . . . . . . . . -13.77 . . . . . 59 . N . 59 . HN parsed_2kly 1
41 . . . . . . . . . . . . . . . . 0.44 . . . . . 60 . N . 60 . HN parsed_2kly 1
42 . . . . . . . . . . . . . . . . 15.39 . . . . . 62 . N . 62 . HN parsed_2kly 1
43 . . . . . . . . . . . . . . . . -15.24 . . . . . 63 . N . 63 . HN parsed_2kly 1
44 . . . . . . . . . . . . . . . . 15.88 . . . . . 64 . N . 64 . HN parsed_2kly 1
45 . . . . . . . . . . . . . . . . 2.25 . . . . . 66 . N . 66 . HN parsed_2kly 1
46 . . . . . . . . . . . . . . . . -7.71 . . . . . 67 . N . 67 . HN parsed_2kly 1
47 . . . . . . . . . . . . . . . . -5.74 . . . . . 71 . N . 71 . HN parsed_2kly 1
48 . . . . . . . . . . . . . . . . -9.05 . . . . . 73 . N . 73 . HN parsed_2kly 1
49 . . . . . . . . . . . . . . . . 10.53 . . . . . 74 . N . 74 . HN parsed_2kly 1
50 . . . . . . . . . . . . . . . . 13.02 . . . . . 75 . N . 75 . HN parsed_2kly 1
51 . . . . . . . . . . . . . . . . 0.22 . . . . . 76 . N . 76 . HN parsed_2kly 1
52 . . . . . . . . . . . . . . . . 13.77 . . . . . 78 . N . 78 . HN parsed_2kly 1
53 . . . . . . . . . . . . . . . . 14.63 . . . . . 79 . N . 79 . HN parsed_2kly 1
54 . . . . . . . . . . . . . . . . 6.41 . . . . . 81 . N . 81 . HN parsed_2kly 1
55 . . . . . . . . . . . . . . . . -0.39 . . . . . 85 . N . 85 . HN parsed_2kly 1
56 . . . . . . . . . . . . . . . . 19.30 . . . . . 87 . N . 87 . HN parsed_2kly 1
57 . . . . . . . . . . . . . . . . -18.77 . . . . . 89 . N . 89 . HN parsed_2kly 1
58 . . . . . . . . . . . . . . . . -7.33 . . . . . 91 . N . 91 . HN parsed_2kly 1
59 . . . . . . . . . . . . . . . . 21.23 . . . . . 94 . N . 94 . HN parsed_2kly 1
60 . . . . . . . . . . . . . . . . 13.16 . . . . . 95 . N . 95 . HN parsed_2kly 1
61 . . . . . . . . . . . . . . . . 9.96 . . . . . 110 . N . 110 . HN parsed_2kly 1
62 . . . . . . . . . . . . . . . . -3.49 . . . . . 111 . N . 111 . HN parsed_2kly 1
63 . . . . . . . . . . . . . . . . -5.78 . . . . . 113 . N . 113 . HN parsed_2kly 1
64 . . . . . . . . . . . . . . . . -16.97 . . . . . 115 . N . 115 . HN parsed_2kly 1
65 . . . . . . . . . . . . . . . . -19.84 . . . . . 116 . N . 116 . HN parsed_2kly 1
66 . . . . . . . . . . . . . . . . -23.64 . . . . . 117 . N . 117 . HN parsed_2kly 1
67 . . . . . . . . . . . . . . . . -20.92 . . . . . 122 . N . 122 . HN parsed_2kly 1
68 . . . . . . . . . . . . . . . . -21.84 . . . . . 123 . N . 123 . HN parsed_2kly 1
69 . . . . . . . . . . . . . . . . -20.32 . . . . . 126 . N . 126 . HN parsed_2kly 1
70 . . . . . . . . . . . . . . . . -20.93 . . . . . 128 . N . 128 . HN parsed_2kly 1
71 . . . . . . . . . . . . . . . . -18.08 . . . . . 129 . N . 129 . HN parsed_2kly 1
72 . . . . . . . . . . . . . . . . 13.43 . . . . . 132 . N . 132 . HN parsed_2kly 1
73 . . . . . . . . . . . . . . . . -3.18 . . . . . 135 . N . 135 . HN parsed_2kly 1
74 . . . . . . . . . . . . . . . . 10.92 . . . . . 136 . N . 136 . HN parsed_2kly 1
75 . . . . . . . . . . . . . . . . 15.85 . . . . . 138 . N . 138 . HN parsed_2kly 1
76 . . . . . . . . . . . . . . . . 0.47 . . . . . 139 . N . 139 . HN parsed_2kly 1
77 . . . . . . . . . . . . . . . . 11.47 . . . . . 141 . N . 141 . HN parsed_2kly 1
78 . . . . . . . . . . . . . . . . 10.71 . . . . . 143 . N . 143 . HN parsed_2kly 1
79 . . . . . . . . . . . . . . . . -0.35 . . . . . 144 . N . 144 . HN parsed_2kly 1
80 . . . . . . . . . . . . . . . . 9.43 . . . . . 146 . N . 146 . HN parsed_2kly 1
81 . . . . . . . . . . . . . . . . 6.31 . . . . . 148 . N . 148 . HN parsed_2kly 1
82 . . . . . . . . . . . . . . . . -9.90 . . . . . 149 . N . 149 . HN parsed_2kly 1
83 . . . . . . . . . . . . . . . . -1.11 . . . . . 150 . N . 150 . HN parsed_2kly 1
84 . . . . . . . . . . . . . . . . -5.20 . . . . . 152 . N . 152 . HN parsed_2kly 1
85 . . . . . . . . . . . . . . . . -1.66 . . . . . 154 . N . 154 . HN parsed_2kly 1
86 . . . . . . . . . . . . . . . . -8.91 . . . . . 159 . N . 159 . HN parsed_2kly 1
87 . . . . . . . . . . . . . . . . -1.61 . . . . . 161 . N . 161 . HN parsed_2kly 1
88 . . . . . . . . . . . . . . . . 0.78 . . . . . 162 . N . 162 . HN parsed_2kly 1
89 . . . . . . . . . . . . . . . . -2.11 . . . . . 164 . N . 164 . HN parsed_2kly 1
90 . . . . . . . . . . . . . . . . 5.31 . . . . . 165 . N . 165 . HN parsed_2kly 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
;
assign (resid 999 and name OO)
(resid 999 and name Z )
(resid 999 and name X )
(resid 999 and name Y )
(resid 82 and name N )
(resid 82 and name HN) -26.00 1.41
;
379 1 385 2 parsed_2kly 1
2
;
assign (resid 999 and name OO)
(resid 999 and name Z )
(resid 999 and name X )
(resid 999 and name Y )
(resid 86 and name N )
(resid 86 and name HN) -12.65 0.55
;
393 1 399 2 parsed_2kly 1
3
;
assign (resid 999 and name OO)
(resid 999 and name Z )
(resid 999 and name X )
(resid 999 and name Y )
(resid 88 and name N )
(resid 88 and name HN) -22.01 2.00
;
407 1 413 2 parsed_2kly 1
4
;
assign (resid 999 and name OO)
(resid 999 and name Z )
(resid 999 and name X )
(resid 999 and name Y )
(resid 97 and name N )
(resid 97 and name HN) 1.32 1.63
assign (resid 999 and name OO)
(resid 999 and name Z )
(resid 999 and name X )
(resid 999 and name Y )
(resid 98 and name N )
(resid 98 and name HN) 6.30 0.25
assign (resid 999 and name OO)
(resid 999 and name Z )
(resid 999 and name X )
(resid 999 and name Y )
(resid 101 and name N )
(resid 101 and name HN) 3.21 0.13
assign (resid 999 and name OO)
(resid 999 and name Z )
(resid 999 and name X )
(resid 999 and name Y )
(resid 102 and name N )
(resid 102 and name HN) -3.56 0.06
assign (resid 999 and name OO)
(resid 999 and name Z )
(resid 999 and name X )
(resid 999 and name Y )
(resid 103 and name N )
(resid 103 and name HN) 0.86 0.03
assign (resid 999 and name OO)
(resid 999 and name Z )
(resid 999 and name X )
(resid 999 and name Y )
(resid 104 and name N )
(resid 104 and name HN) -2.01 0.18
assign (resid 999 and name OO)
(resid 999 and name Z )
(resid 999 and name X )
(resid 999 and name Y )
(resid 105 and name N )
(resid 105 and name HN) -4.29 0.48
assign (resid 999 and name OO)
(resid 999 and name Z )
(resid 999 and name X )
(resid 999 and name Y )
(resid 107 and name N )
(resid 107 and name HN) 2.31 0.02
assign (resid 999 and name OO)
(resid 999 and name Z )
(resid 999 and name X )
(resid 999 and name Y )
(resid 108 and name N )
(resid 108 and name HN) -4.18 0.34
assign (resid 999 and name OO)
(resid 999 and name Z )
(resid 999 and name X )
(resid 999 and name Y )
(resid 109 and name N )
(resid 109 and name HN) 3.95 0.72
;
442 1 510 43 parsed_2kly 1
5
;
assign (resid 999 and name OO)
(resid 999 and name Z )
(resid 999 and name X )
(resid 999 and name Y )
(resid 121 and name N )
(resid 121 and name HN) -25.71 1.18
;
554 1 560 2 parsed_2kly 1
stop_
save_
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