NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
52948 |
2oed   |
cing | 2-parsed | STAR | dipolar coupling | 45 |
data_2oed_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2oed
_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_2oed 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2oed
_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 2oed "Master copy" parsed_2oed
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2oed
_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 2oed.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . n/a 2 protocol "structure calculation" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 34 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 43 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 87 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 43 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 46 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 131 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 9 "dipolar coupling" "Not applicable" "Not applicable" 46 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 10 "dipolar coupling" "Not applicable" "Not applicable" 88 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 11 "dipolar coupling" "Not applicable" "Not applicable" 43 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 12 "dipolar coupling" "Not applicable" "Not applicable" 46 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 13 "dipolar coupling" "Not applicable" "Not applicable" 43 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 14 "dipolar coupling" "Not applicable" "Not applicable" 44 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 15 "dipolar coupling" "Not applicable" "Not applicable" 41 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 16 "dipolar coupling" "Not applicable" "Not applicable" 46 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 17 "dipolar coupling" "Not applicable" "Not applicable" 43 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 18 "dipolar coupling" "Not applicable" "Not applicable" 45 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 19 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . "MR format" 20 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2oed 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_18
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2oed
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 18
_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 . . . . . . . . . . . . . . . . 0.282 0.157 0.407 . . GB3N 2 . C GB3N 3 . N parsed_2oed 1
2 . . . . . . . . . . . . . . . . -1.846 -1.971 -1.721 . . GB3N 3 . C GB3N 4 . N parsed_2oed 1
3 . . . . . . . . . . . . . . . . 1.178 1.053 1.303 . . GB3N 4 . C GB3N 5 . N parsed_2oed 1
4 . . . . . . . . . . . . . . . . -1.138 -1.263 -1.013 . . GB3N 5 . C GB3N 6 . N parsed_2oed 1
5 . . . . . . . . . . . . . . . . 1.486 1.361 1.611 . . GB3N 6 . C GB3N 7 . N parsed_2oed 1
6 . . . . . . . . . . . . . . . . -0.256 -0.381 -0.131 . . GB3N 7 . C GB3N 8 . N parsed_2oed 1
7 . . . . . . . . . . . . . . . . 2.272 2.147 2.397 . . GB3N 8 . C GB3N 9 . N parsed_2oed 1
8 . . . . . . . . . . . . . . . . -0.076 -0.201 0.049 . . GB3N 9 . C GB3N 10 . N parsed_2oed 1
9 . . . . . . . . . . . . . . . . -0.184 -0.309 -0.059 . . GB3N 12 . C GB3N 13 . N parsed_2oed 1
10 . . . . . . . . . . . . . . . . -0.240 -0.365 -0.115 . . GB3N 13 . C GB3N 14 . N parsed_2oed 1
11 . . . . . . . . . . . . . . . . -1.916 -2.041 -1.791 . . GB3N 14 . C GB3N 15 . N parsed_2oed 1
12 . . . . . . . . . . . . . . . . -0.900 -1.025 -0.775 . . GB3N 15 . C GB3N 16 . N parsed_2oed 1
13 . . . . . . . . . . . . . . . . -2.150 -2.275 -2.025 . . GB3N 16 . C GB3N 17 . N parsed_2oed 1
14 . . . . . . . . . . . . . . . . 0.108 -0.017 0.233 . . GB3N 17 . C GB3N 18 . N parsed_2oed 1
15 . . . . . . . . . . . . . . . . -2.016 -2.141 -1.891 . . GB3N 18 . C GB3N 19 . N parsed_2oed 1
16 . . . . . . . . . . . . . . . . 1.878 1.753 2.003 . . GB3N 19 . C GB3N 20 . N parsed_2oed 1
17 . . . . . . . . . . . . . . . . -0.998 -1.123 -0.873 . . GB3N 20 . C GB3N 21 . N parsed_2oed 1
18 . . . . . . . . . . . . . . . . -1.422 -1.547 -1.297 . . GB3N 21 . C GB3N 22 . N parsed_2oed 1
19 . . . . . . . . . . . . . . . . 0.138 0.013 0.263 . . GB3N 22 . C GB3N 23 . N parsed_2oed 1
20 . . . . . . . . . . . . . . . . -0.556 -0.681 -0.431 . . GB3N 23 . C GB3N 24 . N parsed_2oed 1
21 . . . . . . . . . . . . . . . . -1.506 -1.631 -1.381 . . GB3N 27 . C GB3N 28 . N parsed_2oed 1
22 . . . . . . . . . . . . . . . . -0.408 -0.533 -0.283 . . GB3N 28 . C GB3N 29 . N parsed_2oed 1
23 . . . . . . . . . . . . . . . . 0.022 -0.103 0.147 . . GB3N 30 . C GB3N 31 . N parsed_2oed 1
24 . . . . . . . . . . . . . . . . -1.460 -1.585 -1.335 . . GB3N 31 . C GB3N 32 . N parsed_2oed 1
25 . . . . . . . . . . . . . . . . 0.600 0.475 0.725 . . GB3N 32 . C GB3N 33 . N parsed_2oed 1
26 . . . . . . . . . . . . . . . . 1.018 0.893 1.143 . . GB3N 33 . C GB3N 34 . N parsed_2oed 1
27 . . . . . . . . . . . . . . . . -0.700 -0.825 -0.575 . . GB3N 34 . C GB3N 35 . N parsed_2oed 1
28 . . . . . . . . . . . . . . . . -1.284 -1.409 -1.159 . . GB3N 35 . C GB3N 36 . N parsed_2oed 1
29 . . . . . . . . . . . . . . . . 0.984 0.859 1.109 . . GB3N 36 . C GB3N 37 . N parsed_2oed 1
30 . . . . . . . . . . . . . . . . 0.172 0.047 0.297 . . GB3N 37 . C GB3N 38 . N parsed_2oed 1
31 . . . . . . . . . . . . . . . . 0.918 0.793 1.043 . . GB3N 38 . C GB3N 39 . N parsed_2oed 1
32 . . . . . . . . . . . . . . . . -1.432 -1.557 -1.307 . . GB3N 42 . C GB3N 43 . N parsed_2oed 1
33 . . . . . . . . . . . . . . . . 0.126 0.001 0.251 . . GB3N 43 . C GB3N 44 . N parsed_2oed 1
34 . . . . . . . . . . . . . . . . 0.960 0.835 1.085 . . GB3N 44 . C GB3N 45 . N parsed_2oed 1
35 . . . . . . . . . . . . . . . . -0.204 -0.329 -0.079 . . GB3N 45 . C GB3N 46 . N parsed_2oed 1
36 . . . . . . . . . . . . . . . . 0.510 0.385 0.635 . . GB3N 46 . C GB3N 47 . N parsed_2oed 1
37 . . . . . . . . . . . . . . . . -0.342 -0.467 -0.217 . . GB3N 47 . C GB3N 48 . N parsed_2oed 1
38 . . . . . . . . . . . . . . . . 0.630 0.505 0.755 . . GB3N 48 . C GB3N 49 . N parsed_2oed 1
39 . . . . . . . . . . . . . . . . -0.284 -0.409 -0.159 . . GB3N 49 . C GB3N 50 . N parsed_2oed 1
40 . . . . . . . . . . . . . . . . -2.066 -2.191 -1.941 . . GB3N 50 . C GB3N 51 . N parsed_2oed 1
41 . . . . . . . . . . . . . . . . 2.038 1.913 2.163 . . GB3N 51 . C GB3N 52 . N parsed_2oed 1
42 . . . . . . . . . . . . . . . . -1.590 -1.715 -1.465 . . GB3N 52 . C GB3N 53 . N parsed_2oed 1
43 . . . . . . . . . . . . . . . . 1.468 1.343 1.593 . . GB3N 53 . C GB3N 54 . N parsed_2oed 1
44 . . . . . . . . . . . . . . . . -0.908 -1.033 -0.783 . . GB3N 54 . C GB3N 55 . N parsed_2oed 1
45 . . . . . . . . . . . . . . . . 1.338 1.213 1.463 . . GB3N 55 . C GB3N 56 . N parsed_2oed 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 rcds_E_CN.dat 2 1 2 16 parsed_2oed 1
2
;
assign ( resi 505 and name OO )
( resi 505 and name Z )
( resi 505 and name X )
( resi 505 and name Y )
( segi GB3N and resi 10 and name C )
( segi GB3N and resi 11 and name N ) -0.098 0.125 0.125
assign ( resi 505 and name OO )
( resi 505 and name Z )
( resi 505 and name X )
( resi 505 and name Y )
( segi GB3N and resi 11 and name C )
( segi GB3N and resi 12 and name N ) -0.564 0.125 0.125
assign ( resi 505 and name OO )
( resi 505 and name Z )
( resi 505 and name X )
( resi 505 and name Y )
( segi GB3N and resi 24 and name C )
( segi GB3N and resi 25 and name N ) -1.724 0.125 0.125
assign ( resi 505 and name OO )
( resi 505 and name Z )
( resi 505 and name X )
( resi 505 and name Y )
( segi GB3N and resi 25 and name C )
( segi GB3N and resi 26 and name N ) 0.626 0.125 0.125
assign ( resi 505 and name OO )
( resi 505 and name Z )
( resi 505 and name X )
( resi 505 and name Y )
( segi GB3N and resi 26 and name C )
( segi GB3N and resi 27 and name N ) 0.402 0.125 0.125
assign ( resi 505 and name OO )
( resi 505 and name Z )
( resi 505 and name X )
( resi 505 and name Y )
( segi GB3N and resi 39 and name C )
( segi GB3N and resi 40 and name N ) -0.824 0.125 0.125
assign ( resi 505 and name OO )
( resi 505 and name Z )
( resi 505 and name X )
( resi 505 and name Y )
( segi GB3N and resi 40 and name C )
( segi GB3N and resi 41 and name N ) -0.158 0.125 0.125
assign ( resi 505 and name OO )
( resi 505 and name Z )
( resi 505 and name X )
( resi 505 and name Y )
( segi GB3N and resi 41 and name C )
( segi GB3N and resi 42 and name N ) 1.396 0.125 0.125
;
318 1 318 1 parsed_2oed 1
stop_
save_
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