NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
36277 |
1naj   |
5671 | cing | 2-parsed | STAR | dipolar coupling | 76 |
data_1naj_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1naj
_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_1naj 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1naj
_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 1naj "Master copy" parsed_1naj
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1naj
_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 1naj.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1naj 1
1 1naj.mr . . XPLOR/CNS 2 distance NOE ambi 162 parsed_1naj 1
1 1naj.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 56 parsed_1naj 1
1 1naj.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 22 parsed_1naj 1
1 1naj.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 132 parsed_1naj 1
1 1naj.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 76 parsed_1naj 1
1 1naj.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1naj 1
1 1naj.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1naj 1
1 1naj.mr . . XPLOR/CNS 9 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1naj 1
1 1naj.mr . . XPLOR/CNS 10 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1naj 1
1 1naj.mr . . XPLOR/CNS 11 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1naj 1
1 1naj.mr . . XPLOR/CNS 12 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1naj 1
1 1naj.mr . . XPLOR/CNS 13 "chemical shift anisotropy" "Not applicable" "Not applicable" 0 parsed_1naj 1
1 1naj.mr . . XPLOR/CNS 14 "chemical shift anisotropy" "Not applicable" "Not applicable" 0 parsed_1naj 1
1 1naj.mr . . "MR format" 15 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1naj 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_6
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_1naj
_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 . . . . . . . . . . . . . . . . 8.50 8.3000 8.7000 . . . 2 . C1' . 2 . H1' parsed_1naj 1
2 . . . . . . . . . . . . . . . . 6.05 5.8500 6.2500 . . . 2 . C3' . 2 . H3' parsed_1naj 1
3 . . . . . . . . . . . . . . . . 6.40 6.2000 6.6000 . . . 2 . C4' . 2 . H4' parsed_1naj 1
4 . . . . . . . . . . . . . . . . -8.43 -8.6300 -8.2300 . . . 3 . C2' . 3 . H2' parsed_1naj 1
5 . . . . . . . . . . . . . . . . -0.01 -0.2100 0.1900 . . . 3 . C3' . 3 . H3' parsed_1naj 1
6 . . . . . . . . . . . . . . . . -1.00 -1.2000 -0.8000 . . . 3 . C4' . 3 . H4' parsed_1naj 1
7 . . . . . . . . . . . . . . . . 18.80 18.6000 19.0000 . . . 3 . C5' . 3 . H5'' parsed_1naj 1
8 . . . . . . . . . . . . . . . . 14.09 13.8900 14.2900 . . . 8 . C5' . 8 . H5'' parsed_1naj 1
9 . . . . . . . . . . . . . . . . 22.00 21.8000 22.2000 . . . 10 . C3' . 10 . H3' parsed_1naj 1
10 . . . . . . . . . . . . . . . . 9.86 9.6600 10.0600 . . . 10 . C4' . 10 . H4' parsed_1naj 1
11 . . . . . . . . . . . . . . . . 7.73 7.5300 7.9300 . . . 11 . C3' . 11 . H3' parsed_1naj 1
12 . . . . . . . . . . . . . . . . 16.00 15.8000 16.2000 . . . 11 . C4' . 11 . H4' parsed_1naj 1
13 . . . . . . . . . . . . . . . . 13.95 13.7500 14.1500 . . . 11 . C5' . 11 . H5'' parsed_1naj 1
14 . . . . . . . . . . . . . . . . 8.50 8.3000 8.7000 . . . 14 . C1' . 14 . H1' parsed_1naj 1
15 . . . . . . . . . . . . . . . . 6.05 5.8500 6.2500 . . . 14 . C3' . 14 . H3' parsed_1naj 1
16 . . . . . . . . . . . . . . . . 6.40 6.2000 6.6000 . . . 14 . C4' . 14 . H4' parsed_1naj 1
17 . . . . . . . . . . . . . . . . -8.43 -8.6300 -8.2300 . . . 15 . C2' . 15 . H2' parsed_1naj 1
18 . . . . . . . . . . . . . . . . -0.01 -0.2100 0.1900 . . . 15 . C3' . 15 . H3' parsed_1naj 1
19 . . . . . . . . . . . . . . . . -1.00 -1.2000 -0.8000 . . . 15 . C4' . 15 . H4' parsed_1naj 1
20 . . . . . . . . . . . . . . . . 18.80 18.6000 19.0000 . . . 15 . C5' . 15 . H5'' parsed_1naj 1
21 . . . . . . . . . . . . . . . . 14.09 13.8900 14.2900 . . . 20 . C5' . 20 . H5'' parsed_1naj 1
22 . . . . . . . . . . . . . . . . 22.00 21.8000 22.2000 . . . 22 . C3' . 22 . H3' parsed_1naj 1
23 . . . . . . . . . . . . . . . . 9.86 9.6600 10.0600 . . . 22 . C4' . 22 . H4' parsed_1naj 1
24 . . . . . . . . . . . . . . . . 7.73 7.5300 7.9300 . . . 23 . C3' . 23 . H3' parsed_1naj 1
25 . . . . . . . . . . . . . . . . 16.00 15.8000 16.2000 . . . 23 . C4' . 23 . H4' parsed_1naj 1
26 . . . . . . . . . . . . . . . . 13.95 13.7500 14.1500 . . . 23 . C5' . 23 . H5'' parsed_1naj 1
27 . . . . . . . . . . . . . . . . 1.03 0.8300 1.2300 . . . 1 . C2' . 1 . H2'' parsed_1naj 1
28 . . . . . . . . . . . . . . . . -17.53 -17.7300 -17.3300 . . . 2 . C2' . 2 . H2'' parsed_1naj 1
29 . . . . . . . . . . . . . . . . -8.42 -8.6200 -8.2200 . . . 3 . C2' . 3 . H2'' parsed_1naj 1
30 . . . . . . . . . . . . . . . . -24.41 -24.6100 -24.2100 . . . 4 . C2' . 4 . H2'' parsed_1naj 1
31 . . . . . . . . . . . . . . . . -14.19 -14.3900 -13.9900 . . . 5 . C2' . 5 . H2'' parsed_1naj 1
32 . . . . . . . . . . . . . . . . -16.15 -16.3500 -15.9500 . . . 6 . C2' . 6 . H2'' parsed_1naj 1
33 . . . . . . . . . . . . . . . . -18.20 -18.4000 -18.0000 . . . 9 . C2' . 9 . H2'' parsed_1naj 1
34 . . . . . . . . . . . . . . . . -23.86 -24.0600 -23.6600 . . . 10 . C2' . 10 . H2'' parsed_1naj 1
35 . . . . . . . . . . . . . . . . -1.17 -1.3700 -0.9700 . . . 11 . C2' . 11 . H2'' parsed_1naj 1
36 . . . . . . . . . . . . . . . . -4.84 -5.0400 -4.6400 . . . 12 . C2' . 12 . H2'' parsed_1naj 1
37 . . . . . . . . . . . . . . . . 1.03 0.8300 1.2300 . . . 13 . C2' . 13 . H2'' parsed_1naj 1
38 . . . . . . . . . . . . . . . . -17.53 -17.7300 -17.3300 . . . 14 . C2' . 14 . H2'' parsed_1naj 1
39 . . . . . . . . . . . . . . . . -8.42 -8.6200 -8.2200 . . . 15 . C2' . 15 . H2'' parsed_1naj 1
40 . . . . . . . . . . . . . . . . -24.41 -24.6100 -24.2100 . . . 16 . C2' . 16 . H2'' parsed_1naj 1
41 . . . . . . . . . . . . . . . . -14.19 -14.3900 -13.9900 . . . 17 . C2' . 17 . H2'' parsed_1naj 1
42 . . . . . . . . . . . . . . . . -16.15 -16.3500 -15.9500 . . . 18 . C2' . 18 . H2'' parsed_1naj 1
43 . . . . . . . . . . . . . . . . -18.20 -18.4000 -18.0000 . . . 21 . C2' . 21 . H2'' parsed_1naj 1
44 . . . . . . . . . . . . . . . . -23.86 -24.0600 -23.6600 . . . 22 . C2' . 22 . H2'' parsed_1naj 1
45 . . . . . . . . . . . . . . . . -1.17 -1.3700 -0.9700 . . . 23 . C2' . 23 . H2'' parsed_1naj 1
46 . . . . . . . . . . . . . . . . -4.84 -5.0400 -4.6400 . . . 24 . C2' . 24 . H2'' parsed_1naj 1
47 . . . . . . . . . . . . . . . . -5.57 -5.7700 -5.3700 . . . 1 . C5' . 1 . H5' parsed_1naj 1
48 . . . . . . . . . . . . . . . . -20.71 -20.9100 -20.5100 . . . 2 . C5' . 2 . H5' parsed_1naj 1
49 . . . . . . . . . . . . . . . . -22.05 -22.2500 -21.8500 . . . 4 . C5' . 4 . H5' parsed_1naj 1
50 . . . . . . . . . . . . . . . . -18.57 -18.7700 -18.3700 . . . 5 . C5' . 5 . H5' parsed_1naj 1
51 . . . . . . . . . . . . . . . . -21.86 -22.0600 -21.6600 . . . 6 . C5' . 6 . H5' parsed_1naj 1
52 . . . . . . . . . . . . . . . . -20.23 -20.4300 -20.0300 . . . 7 . C5' . 7 . H5' parsed_1naj 1
53 . . . . . . . . . . . . . . . . -32.09 -32.2900 -31.8900 . . . 9 . C5' . 9 . H5' parsed_1naj 1
54 . . . . . . . . . . . . . . . . -25.94 -26.1400 -25.7400 . . . 10 . C5' . 10 . H5' parsed_1naj 1
55 . . . . . . . . . . . . . . . . -28.56 -28.7600 -28.3600 . . . 12 . C5' . 12 . H5' parsed_1naj 1
56 . . . . . . . . . . . . . . . . -5.57 -5.7700 -5.3700 . . . 13 . C5' . 13 . H5' parsed_1naj 1
57 . . . . . . . . . . . . . . . . -20.71 -20.9100 -20.5100 . . . 14 . C5' . 14 . H5' parsed_1naj 1
58 . . . . . . . . . . . . . . . . -22.05 -22.2500 -21.8500 . . . 16 . C5' . 16 . H5' parsed_1naj 1
59 . . . . . . . . . . . . . . . . -18.57 -18.7700 -18.3700 . . . 17 . C5' . 17 . H5' parsed_1naj 1
60 . . . . . . . . . . . . . . . . -21.86 -22.0600 -21.6600 . . . 18 . C5' . 18 . H5' parsed_1naj 1
61 . . . . . . . . . . . . . . . . -20.23 -20.4300 -20.0300 . . . 19 . C5' . 19 . H5' parsed_1naj 1
62 . . . . . . . . . . . . . . . . -32.09 -32.2900 -31.8900 . . . 21 . C5' . 21 . H5' parsed_1naj 1
63 . . . . . . . . . . . . . . . . -25.94 -26.1400 -25.7400 . . . 22 . C5' . 22 . H5' parsed_1naj 1
64 . . . . . . . . . . . . . . . . -28.56 -28.7600 -28.3600 . . . 24 . C5' . 24 . H5' parsed_1naj 1
65 . . . . . . . . . . . . . . . . 14.53 14.3300 14.7300 . . . 1 . C5 . 1 . H5 parsed_1naj 1
66 . . . . . . . . . . . . . . . . 6.95 6.7500 7.1500 . . . 2 . C8 . 2 . H8 parsed_1naj 1
67 . . . . . . . . . . . . . . . . 4.26 4.0600 4.4600 . . . 3 . C5 . 3 . H5 parsed_1naj 1
68 . . . . . . . . . . . . . . . . 8.73 8.5300 8.9300 . . . 9 . C5 . 9 . H5 parsed_1naj 1
69 . . . . . . . . . . . . . . . . 19.93 19.7300 20.1300 . . . 10 . C8 . 10 . H8 parsed_1naj 1
70 . . . . . . . . . . . . . . . . 24.20 24.0000 24.4000 . . . 11 . C5 . 11 . H5 parsed_1naj 1
71 . . . . . . . . . . . . . . . . 14.53 14.3300 14.7300 . . . 13 . C5 . 13 . H5 parsed_1naj 1
72 . . . . . . . . . . . . . . . . 6.95 6.7500 7.1500 . . . 14 . C8 . 14 . H8 parsed_1naj 1
73 . . . . . . . . . . . . . . . . 4.26 4.0600 4.4600 . . . 15 . C5 . 15 . H5 parsed_1naj 1
74 . . . . . . . . . . . . . . . . 8.73 8.5300 8.9300 . . . 21 . C5 . 21 . H5 parsed_1naj 1
75 . . . . . . . . . . . . . . . . 19.93 19.7300 20.1300 . . . 22 . C8 . 22 . H8 parsed_1naj 1
76 . . . . . . . . . . . . . . . . 24.20 24.0000 24.4000 . . . 23 . C5 . 23 . H5 parsed_1naj 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
;
residual dipolar restraints
from less trusting values
shuld be 1/8 contribution to the force
;
2 1 5 2 parsed_1naj 1
2 "2nd strand" 99 1 101 2 parsed_1naj 1
3 'C2'-H2" residual dipolar restraints' 194 1 196 2 parsed_1naj 1
4 'C2'-H2" residual dipolar restraints 2nd Strand' 269 1 271 2 parsed_1naj 1
5 'C5'-H5" residual dipolar restraints' 344 1 346 2 parsed_1naj 1
6 "2nd Strand" 411 1 413 2 parsed_1naj 1
7
;
First strand
Base dipolar coupling
;
477 1 479 2 parsed_1naj 1
8
;
2nd strand
Base dipolar coupling
;
523 1 525 2 parsed_1naj 1
stop_
save_
Contact the webmaster for help, if required. Tuesday, April 23, 2024 2:55:32 PM GMT (wattos1)