NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
533419 |
2ksq   |
cing | 2-parsed | STAR | dipolar coupling | 79 |
data_2ksq_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ksq
_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_2ksq 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ksq
_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 2ksq "Master copy" parsed_2ksq
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ksq
_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 2ksq.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ksq 1
1 2ksq.mr . . XPLOR/CNS 2 distance NOE ambi 848 parsed_2ksq 1
1 2ksq.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 154 parsed_2ksq 1
1 2ksq.mr . . XPLOR/CNS 4 distance NOE simple 138 parsed_2ksq 1
1 2ksq.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 154 parsed_2ksq 1
1 2ksq.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 79 parsed_2ksq 1
1 2ksq.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2ksq 1
1 2ksq.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2ksq 1
1 2ksq.mr . . XPLOR/CNS 9 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2ksq 1
1 2ksq.mr . . XPLOR/CNS 10 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2ksq 1
1 2ksq.mr . . XPLOR/CNS 11 unknown "Not applicable" "Not applicable" 0 parsed_2ksq 1
1 2ksq.mr . . XPLOR/CNS 12 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2ksq 1
1 2ksq.mr . . XPLOR/CNS 13 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2ksq 1
1 2ksq.mr . . "MR format" 14 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ksq 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_6
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2ksq
_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 . . . . . . . . . . . . . . . . -10.075 . . . . . 20 . N . 20 . HN parsed_2ksq 1
2 . . . . . . . . . . . . . . . . -1.350 . . . . . 22 . N . 22 . HN parsed_2ksq 1
3 . . . . . . . . . . . . . . . . 1.483 . . . . . 24 . N . 24 . HN parsed_2ksq 1
4 . . . . . . . . . . . . . . . . -0.514 . . . . . 25 . N . 25 . HN parsed_2ksq 1
5 . . . . . . . . . . . . . . . . -2.416 . . . . . 27 . N . 27 . HN parsed_2ksq 1
6 . . . . . . . . . . . . . . . . 23.188 . . . . . 28 . N . 28 . HN parsed_2ksq 1
7 . . . . . . . . . . . . . . . . -17.845 . . . . . 36 . N . 36 . HN parsed_2ksq 1
8 . . . . . . . . . . . . . . . . -6.413 . . . . . 37 . N . 37 . HN parsed_2ksq 1
9 . . . . . . . . . . . . . . . . -18.247 . . . . . 39 . N . 39 . HN parsed_2ksq 1
10 . . . . . . . . . . . . . . . . 1.846 . . . . . 40 . N . 40 . HN parsed_2ksq 1
11 . . . . . . . . . . . . . . . . 15.860 . . . . . 41 . N . 41 . HN parsed_2ksq 1
12 . . . . . . . . . . . . . . . . 6.196 . . . . . 43 . N . 43 . HN parsed_2ksq 1
13 . . . . . . . . . . . . . . . . -10.361 . . . . . 44 . N . 44 . HN parsed_2ksq 1
14 . . . . . . . . . . . . . . . . -6.353 . . . . . 48 . N . 48 . HN parsed_2ksq 1
15 . . . . . . . . . . . . . . . . -6.962 . . . . . 49 . N . 49 . HN parsed_2ksq 1
16 . . . . . . . . . . . . . . . . -10.013 . . . . . 52 . N . 52 . HN parsed_2ksq 1
17 . . . . . . . . . . . . . . . . -6.674 . . . . . 55 . N . 55 . HN parsed_2ksq 1
18 . . . . . . . . . . . . . . . . 5.746 . . . . . 56 . N . 56 . HN parsed_2ksq 1
19 . . . . . . . . . . . . . . . . 11.313 . . . . . 57 . N . 57 . HN parsed_2ksq 1
20 . . . . . . . . . . . . . . . . 19.807 . . . . . 58 . N . 58 . HN parsed_2ksq 1
21 . . . . . . . . . . . . . . . . 16.298 . . . . . 59 . N . 59 . HN parsed_2ksq 1
22 . . . . . . . . . . . . . . . . 11.311 . . . . . 61 . N . 61 . HN parsed_2ksq 1
23 . . . . . . . . . . . . . . . . 14.187 . . . . . 62 . N . 62 . HN parsed_2ksq 1
24 . . . . . . . . . . . . . . . . 5.661 . . . . . 64 . N . 64 . HN parsed_2ksq 1
25 . . . . . . . . . . . . . . . . -11.674 . . . . . 67 . N . 67 . HN parsed_2ksq 1
26 . . . . . . . . . . . . . . . . -9.262 . . . . . 68 . N . 68 . HN parsed_2ksq 1
27 . . . . . . . . . . . . . . . . 2.109 . . . . . 69 . N . 69 . HN parsed_2ksq 1
28 . . . . . . . . . . . . . . . . 19.694 . . . . . 73 . N . 73 . HN parsed_2ksq 1
29 . . . . . . . . . . . . . . . . -9.723 . . . . . 82 . N . 82 . HN parsed_2ksq 1
30 . . . . . . . . . . . . . . . . 1.729 . . . . . 86 . N . 86 . HN parsed_2ksq 1
31 . . . . . . . . . . . . . . . . 5.575 . . . . . 91 . N . 91 . HN parsed_2ksq 1
32 . . . . . . . . . . . . . . . . -0.446 . . . . . 93 . N . 93 . HN parsed_2ksq 1
33 . . . . . . . . . . . . . . . . -11.237 . . . . . 95 . N . 95 . HN parsed_2ksq 1
34 . . . . . . . . . . . . . . . . -2.782 . . . . . 96 . N . 96 . HN parsed_2ksq 1
35 . . . . . . . . . . . . . . . . 27.865 . . . . . 97 . N . 97 . HN parsed_2ksq 1
36 . . . . . . . . . . . . . . . . 8.284 . . . . . 98 . N . 98 . HN parsed_2ksq 1
37 . . . . . . . . . . . . . . . . 3.029 . . . . . 99 . N . 99 . HN parsed_2ksq 1
38 . . . . . . . . . . . . . . . . 21.756 . . . . . 100 . N . 100 . HN parsed_2ksq 1
39 . . . . . . . . . . . . . . . . -0.437 . . . . . 101 . N . 101 . HN parsed_2ksq 1
40 . . . . . . . . . . . . . . . . 18.375 . . . . . 102 . N . 102 . HN parsed_2ksq 1
41 . . . . . . . . . . . . . . . . 8.039 . . . . . 105 . N . 105 . HN parsed_2ksq 1
42 . . . . . . . . . . . . . . . . 23.410 . . . . . 106 . N . 106 . HN parsed_2ksq 1
43 . . . . . . . . . . . . . . . . 13.206 . . . . . 108 . N . 108 . HN parsed_2ksq 1
44 . . . . . . . . . . . . . . . . 17.396 . . . . . 109 . N . 109 . HN parsed_2ksq 1
45 . . . . . . . . . . . . . . . . 1.972 . . . . . 112 . N . 112 . HN parsed_2ksq 1
46 . . . . . . . . . . . . . . . . 13.821 . . . . . 113 . N . 113 . HN parsed_2ksq 1
47 . . . . . . . . . . . . . . . . -9.849 . . . . . 114 . N . 114 . HN parsed_2ksq 1
48 . . . . . . . . . . . . . . . . -10.148 . . . . . 115 . N . 115 . HN parsed_2ksq 1
49 . . . . . . . . . . . . . . . . 15.622 . . . . . 117 . N . 117 . HN parsed_2ksq 1
50 . . . . . . . . . . . . . . . . -5.398 . . . . . 118 . N . 118 . HN parsed_2ksq 1
51 . . . . . . . . . . . . . . . . -11.415 . . . . . 119 . N . 119 . HN parsed_2ksq 1
52 . . . . . . . . . . . . . . . . -12.143 . . . . . 120 . N . 120 . HN parsed_2ksq 1
53 . . . . . . . . . . . . . . . . -5.826 . . . . . 124 . N . 124 . HN parsed_2ksq 1
54 . . . . . . . . . . . . . . . . -4.566 . . . . . 125 . N . 125 . HN parsed_2ksq 1
55 . . . . . . . . . . . . . . . . 6.112 . . . . . 126 . N . 126 . HN parsed_2ksq 1
56 . . . . . . . . . . . . . . . . 9.369 . . . . . 128 . N . 128 . HN parsed_2ksq 1
57 . . . . . . . . . . . . . . . . 10.148 . . . . . 129 . N . 129 . HN parsed_2ksq 1
58 . . . . . . . . . . . . . . . . -8.312 . . . . . 132 . N . 132 . HN parsed_2ksq 1
59 . . . . . . . . . . . . . . . . 19.444 . . . . . 141 . N . 141 . HN parsed_2ksq 1
60 . . . . . . . . . . . . . . . . 16.942 . . . . . 142 . N . 142 . HN parsed_2ksq 1
61 . . . . . . . . . . . . . . . . 4.472 . . . . . 143 . N . 143 . HN parsed_2ksq 1
62 . . . . . . . . . . . . . . . . 14.354 . . . . . 144 . N . 144 . HN parsed_2ksq 1
63 . . . . . . . . . . . . . . . . 16.469 . . . . . 148 . N . 148 . HN parsed_2ksq 1
64 . . . . . . . . . . . . . . . . -5.066 . . . . . 149 . N . 149 . HN parsed_2ksq 1
65 . . . . . . . . . . . . . . . . -8.925 . . . . . 155 . N . 155 . HN parsed_2ksq 1
66 . . . . . . . . . . . . . . . . -7.312 . . . . . 160 . N . 160 . HN parsed_2ksq 1
67 . . . . . . . . . . . . . . . . -15.120 . . . . . 161 . N . 161 . HN parsed_2ksq 1
68 . . . . . . . . . . . . . . . . -10.522 . . . . . 162 . N . 162 . HN parsed_2ksq 1
69 . . . . . . . . . . . . . . . . 8.497 . . . . . 164 . N . 164 . HN parsed_2ksq 1
70 . . . . . . . . . . . . . . . . -10.825 . . . . . 165 . N . 165 . HN parsed_2ksq 1
71 . . . . . . . . . . . . . . . . 15.529 . . . . . 166 . N . 166 . HN parsed_2ksq 1
72 . . . . . . . . . . . . . . . . 20.787 . . . . . 168 . N . 168 . HN parsed_2ksq 1
73 . . . . . . . . . . . . . . . . 9.178 . . . . . 169 . N . 169 . HN parsed_2ksq 1
74 . . . . . . . . . . . . . . . . 18.464 . . . . . 170 . N . 170 . HN parsed_2ksq 1
75 . . . . . . . . . . . . . . . . 12.469 . . . . . 175 . N . 175 . HN parsed_2ksq 1
76 . . . . . . . . . . . . . . . . 5.397 . . . . . 176 . N . 176 . HN parsed_2ksq 1
77 . . . . . . . . . . . . . . . . 7.738 . . . . . 177 . N . 177 . HN parsed_2ksq 1
78 . . . . . . . . . . . . . . . . 11.260 . . . . . 178 . N . 178 . HN parsed_2ksq 1
79 . . . . . . . . . . . . . . . . -0.260 . . . . . 179 . N . 179 . HN parsed_2ksq 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 501 and name OO )
(resid 501 and name Z )
(resid 501 and name X )
(resid 501 and name Y )
(resid 4 and name N)
(resid 4 and name HN) -0.333 1.5
assign (resid 501 and name OO )
(resid 501 and name Z )
(resid 501 and name X )
(resid 501 and name Y )
(resid 6 and name N)
(resid 6 and name HN) 1.537 1.5
assign (resid 501 and name OO )
(resid 501 and name Z )
(resid 501 and name X )
(resid 501 and name Y )
(resid 8 and name N)
(resid 8 and name HN) 0.329 1.5
assign (resid 501 and name OO )
(resid 501 and name Z )
(resid 501 and name X )
(resid 501 and name Y )
(resid 9 and name N)
(resid 9 and name HN) 4.018 1.5
assign (resid 501 and name OO )
(resid 501 and name Z )
(resid 501 and name X )
(resid 501 and name Y )
(resid 10 and name N)
(resid 10 and name HN) 4.673 1.5
assign (resid 501 and name OO )
(resid 501 and name Z )
(resid 501 and name X )
(resid 501 and name Y )
(resid 11 and name N)
(resid 11 and name HN) 1.450 1.5
assign (resid 501 and name OO )
(resid 501 and name Z )
(resid 501 and name X )
(resid 501 and name Y )
(resid 12 and name N)
(resid 12 and name HN) -0.048 1.5
assign (resid 501 and name OO )
(resid 501 and name Z )
(resid 501 and name X )
(resid 501 and name Y )
(resid 14 and name N)
(resid 14 and name HN) 2.735 1.5
assign (resid 501 and name OO )
(resid 501 and name Z )
(resid 501 and name X )
(resid 501 and name Y )
(resid 15 and name N)
(resid 15 and name HN) 1.940 1.5
;
1 1 1 1 parsed_2ksq 1
stop_
save_
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