NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
592094 |
2mu3   |
17899 | cing | 2-parsed | STAR | distance | NOE | simple | 38 |
data_2mu3_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mu3
_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_2mu3 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mu3
_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 2mu3 "Master copy" parsed_2mu3
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mu3
_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 2mu3.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mu3 1
1 2mu3.mr . . XPLOR/CNS 2 distance NOE simple 947 parsed_2mu3 1
1 2mu3.mr . . XPLOR/CNS 3 distance NOE ambi 240 parsed_2mu3 1
1 2mu3.mr . . XPLOR/CNS 4 distance NOE simple 559 parsed_2mu3 1
1 2mu3.mr . . XPLOR/CNS 5 distance NOE ambi 70 parsed_2mu3 1
1 2mu3.mr . . XPLOR/CNS 6 distance NOE simple 1392 parsed_2mu3 1
1 2mu3.mr . . XPLOR/CNS 7 distance NOE ambi 638 parsed_2mu3 1
1 2mu3.mr . . XPLOR/CNS 8 distance NOE simple 38 parsed_2mu3 1
1 2mu3.mr . . XPLOR/CNS 9 distance NOE ambi 0 parsed_2mu3 1
1 2mu3.mr . . XPLOR/CNS 10 distance "hydrogen bond" simple 0 parsed_2mu3 1
1 2mu3.mr . . XPLOR/CNS 11 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2mu3 1
1 2mu3.mr . . "MR format" 12 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mu3 1
stop_
save_
save_CNS/XPLOR_distance_constraints_8
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2mu3
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 8
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_2mu3 1
2 1 . . . parsed_2mu3 1
3 1 . . . parsed_2mu3 1
4 1 . . . parsed_2mu3 1
5 1 . . . parsed_2mu3 1
6 1 . . . parsed_2mu3 1
7 1 . . . parsed_2mu3 1
8 1 . . . parsed_2mu3 1
9 1 . . . parsed_2mu3 1
10 1 . . . parsed_2mu3 1
11 1 . . . parsed_2mu3 1
12 1 . . . parsed_2mu3 1
13 1 . . . parsed_2mu3 1
14 1 . . . parsed_2mu3 1
15 1 . . . parsed_2mu3 1
16 1 . . . parsed_2mu3 1
17 1 . . . parsed_2mu3 1
18 1 . . . parsed_2mu3 1
19 1 . . . parsed_2mu3 1
20 1 . . . parsed_2mu3 1
21 1 . . . parsed_2mu3 1
22 1 . . . parsed_2mu3 1
23 1 . . . parsed_2mu3 1
24 1 . . . parsed_2mu3 1
25 1 . . . parsed_2mu3 1
26 1 . . . parsed_2mu3 1
27 1 . . . parsed_2mu3 1
28 1 . . . parsed_2mu3 1
29 1 . . . parsed_2mu3 1
30 1 . . . parsed_2mu3 1
31 1 . . . parsed_2mu3 1
32 1 . . . parsed_2mu3 1
33 1 . . . parsed_2mu3 1
34 1 . . . parsed_2mu3 1
35 1 . . . parsed_2mu3 1
36 1 . . . parsed_2mu3 1
37 1 . . . parsed_2mu3 1
38 1 . . . parsed_2mu3 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 68 . HB* parsed_2mu3 1
1 1 2 . . . . . . . . . 69 . HE* parsed_2mu3 1
2 1 1 . . . . . . . . . 86 . HD* parsed_2mu3 1
2 1 2 . . . . . . . . . 86 . HE* parsed_2mu3 1
3 1 1 . . . . . . . . . 86 . HA parsed_2mu3 1
3 1 2 . . . . . . . . . 86 . HD* parsed_2mu3 1
4 1 1 . . . . . . . . . 86 . HD* parsed_2mu3 1
4 1 2 . . . . . . . . . 86 . HH parsed_2mu3 1
5 1 1 . . . . . . . . . 86 . HB* parsed_2mu3 1
5 1 2 . . . . . . . . . 86 . HD* parsed_2mu3 1
6 1 1 . . . . . . . . . 85 . HB* parsed_2mu3 1
6 1 2 . . . . . . . . . 86 . HD* parsed_2mu3 1
7 1 1 . . . . . . . . . 85 . HB* parsed_2mu3 1
7 1 2 . . . . . . . . . 86 . HE* parsed_2mu3 1
8 1 1 . . . . . . . . . 77 . HD* parsed_2mu3 1
8 1 2 . . . . . . . . . 86 . HE* parsed_2mu3 1
9 1 1 . . . . . . . . . 74 . HG* parsed_2mu3 1
9 1 2 . . . . . . . . . 86 . HE* parsed_2mu3 1
10 1 1 . . . . . . . . . 44 . HB* parsed_2mu3 1
10 1 2 . . . . . . . . . 86 . HE* parsed_2mu3 1
11 1 1 . . . . . . . . . 74 . HG* parsed_2mu3 1
11 1 2 . . . . . . . . . 86 . HD* parsed_2mu3 1
12 1 1 . . . . . . . . . 77 . HD* parsed_2mu3 1
12 1 2 . . . . . . . . . 86 . HD* parsed_2mu3 1
13 1 1 . . . . . . . . . 86 . HD* parsed_2mu3 1
13 1 2 . . . . . . . . . 87 . HB* parsed_2mu3 1
14 1 1 . . . . . . . . . 90 . HA parsed_2mu3 1
14 1 2 . . . . . . . . . 90 . HD* parsed_2mu3 1
15 1 1 . . . . . . . . . 90 . HB* parsed_2mu3 1
15 1 2 . . . . . . . . . 90 . HD* parsed_2mu3 1
16 1 1 . . . . . . . . . 90 . HD* parsed_2mu3 1
16 1 2 . . . . . . . . . 90 . HE* parsed_2mu3 1
17 1 1 . . . . . . . . . 90 . HB* parsed_2mu3 1
17 1 2 . . . . . . . . . 90 . HE* parsed_2mu3 1
18 1 1 . . . . . . . . . 43 . HG2* parsed_2mu3 1
18 1 2 . . . . . . . . . 90 . HD* parsed_2mu3 1
19 1 1 . . . . . . . . . 90 . HD* parsed_2mu3 1
19 1 2 . . . . . . . . . 94 . HD* parsed_2mu3 1
20 1 1 . . . . . . . . . 95 . HA parsed_2mu3 1
20 1 2 . . . . . . . . . 95 . HD* parsed_2mu3 1
21 1 1 . . . . . . . . . 95 . HA parsed_2mu3 1
21 1 2 . . . . . . . . . 95 . HE* parsed_2mu3 1
22 1 1 . . . . . . . . . 95 . HB* parsed_2mu3 1
22 1 2 . . . . . . . . . 95 . HD* parsed_2mu3 1
23 1 1 . . . . . . . . . 95 . HD* parsed_2mu3 1
23 1 2 . . . . . . . . . 95 . HE* parsed_2mu3 1
24 1 1 . . . . . . . . . 95 . HB* parsed_2mu3 1
24 1 2 . . . . . . . . . 95 . HD* parsed_2mu3 1
25 1 1 . . . . . . . . . 129 . HN parsed_2mu3 1
25 1 2 . . . . . . . . . 95 . HD* parsed_2mu3 1
26 1 1 . . . . . . . . . 37 . HG2* parsed_2mu3 1
26 1 2 . . . . . . . . . 95 . HE* parsed_2mu3 1
27 1 1 . . . . . . . . . 37 . HB parsed_2mu3 1
27 1 2 . . . . . . . . . 95 . HD* parsed_2mu3 1
28 1 1 . . . . . . . . . 26 . HB* parsed_2mu3 1
28 1 2 . . . . . . . . . 95 . HD* parsed_2mu3 1
29 1 1 . . . . . . . . . 95 . HD* parsed_2mu3 1
29 1 2 . . . . . . . . . 96 . HB* parsed_2mu3 1
30 1 1 . . . . . . . . . 95 . HD* parsed_2mu3 1
30 1 2 . . . . . . . . . 100 . HD* parsed_2mu3 1
31 1 1 . . . . . . . . . 146 . HB* parsed_2mu3 1
31 1 2 . . . . . . . . . 146 . HD* parsed_2mu3 1
32 1 1 . . . . . . . . . 146 . HD* parsed_2mu3 1
32 1 2 . . . . . . . . . 147 . HD* parsed_2mu3 1
33 1 1 . . . . . . . . . 169 . HB* parsed_2mu3 1
33 1 2 . . . . . . . . . 169 . HD* parsed_2mu3 1
34 1 1 . . . . . . . . . 169 . HD* parsed_2mu3 1
34 1 2 . . . . . . . . . 169 . HE* parsed_2mu3 1
35 1 1 . . . . . . . . . 169 . HA parsed_2mu3 1
35 1 2 . . . . . . . . . 169 . HD* parsed_2mu3 1
36 1 1 . . . . . . . . . 182 . HD* parsed_2mu3 1
36 1 2 . . . . . . . . . 182 . HB* parsed_2mu3 1
37 1 1 . . . . . . . . . 182 . HD* parsed_2mu3 1
37 1 2 . . . . . . . . . 182 . HB* parsed_2mu3 1
38 1 1 . . . . . . . . . 182 . HD* parsed_2mu3 1
38 1 2 . . . . . . . . . 182 . HE* parsed_2mu3 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.400 1.800 5.000 parsed_2mu3 1
2 1 . . . . . 2.300 1.800 2.800 parsed_2mu3 1
3 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
4 1 . . . . . 3.400 1.800 5.000 parsed_2mu3 1
5 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
6 1 . . . . . 3.400 1.800 5.000 parsed_2mu3 1
7 1 . . . . . 3.900 1.800 6.000 parsed_2mu3 1
8 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
9 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
10 1 . . . . . 3.400 1.800 5.000 parsed_2mu3 1
11 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
12 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
13 1 . . . . . 3.400 1.800 5.000 parsed_2mu3 1
14 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
15 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
16 1 . . . . . 2.300 1.800 2.800 parsed_2mu3 1
17 1 . . . . . 3.400 1.800 5.000 parsed_2mu3 1
18 1 . . . . . 3.400 1.800 5.000 parsed_2mu3 1
19 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
20 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
21 1 . . . . . 3.400 1.800 5.000 parsed_2mu3 1
22 1 . . . . . 2.300 1.800 2.800 parsed_2mu3 1
23 1 . . . . . 2.300 1.800 2.800 parsed_2mu3 1
24 1 . . . . . 2.300 1.800 2.800 parsed_2mu3 1
25 1 . . . . . 3.900 1.800 6.000 parsed_2mu3 1
26 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
27 1 . . . . . 3.400 1.800 5.000 parsed_2mu3 1
28 1 . . . . . 3.900 1.800 6.000 parsed_2mu3 1
29 1 . . . . . 3.400 1.800 5.000 parsed_2mu3 1
30 1 . . . . . 3.900 1.800 6.000 parsed_2mu3 1
31 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
32 1 . . . . . 3.400 1.800 5.000 parsed_2mu3 1
33 1 . . . . . 2.300 1.800 2.800 parsed_2mu3 1
34 1 . . . . . 2.300 1.800 2.800 parsed_2mu3 1
35 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
36 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
37 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
38 1 . . . . . 2.300 1.800 2.800 parsed_2mu3 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "############################## ArNOE ############################################################" 1 1 1 105 parsed_2mu3 1
2 "assign (resid 61 and name HG*) (resid 69 and name HE*) 3.900 2.100 2.100 ! could be commented out due to major violation after round 7" 4 1 4 141 parsed_2mu3 1
3 "incr to 5.0 after round 7. (96 viol avg 0.232)" 7 78 7 126 parsed_2mu3 1
4 "incr to 5.0 after round 182w. (52 viol avg 0.187)" 9 79 9 130 parsed_2mu3 1
5 "incr to 6.0 after round 14. (56 viol avg 0.443)" 10 79 10 128 parsed_2mu3 1
6 "assign (resid 71 and name HA) (resid 86 and name HE*) 3.900 2.100 2.100 ! could be commented out due to major violation after round 15" 13 1 13 141 parsed_2mu3 1
7 "incr to 5.0 after round 1. (57 viol avg 0.932)" 14 79 14 127 parsed_2mu3 1
8 "assign (resid 84 and name HA) (resid 86 and name HE*) 3.900 2.100 2.100 ! could be commented out due to major violation after round 22" 17 1 17 141 parsed_2mu3 1
9 "incr to 5.0 after round 15. (39 viol avg 0.651)" 23 80 23 129 parsed_2mu3 1
10 "assign (resid 26 and name HN) (resid 95 and name HD*) 3.900 2.100 2.100 ! could be commented out due to major violation after round 12" 30 1 30 141 parsed_2mu3 1
11 "could be commented out due to major violation after round 22" 31 79 31 141 parsed_2mu3 1
12 "incr to 5.0 after round 162. (37 viol avg 0.362)" 33 78 33 128 parsed_2mu3 1
13 "incr to 6.0 after round 182w. (57 viol avg 0.372)" 34 79 34 130 parsed_2mu3 1
14 "incr to 5.0 after round 1. (75 viol avg 0.974)" 35 79 35 127 parsed_2mu3 1
15
;
incr to 6.0 after round 12. (62 viol avg 0.868)
assign (resid 95 and name HD*) (resid 31 and name HD*) 3.900 2.100 2.100 ! incr to 6.0 after round 12. (54 viol avg 0.715)
;
36 80 37 129 parsed_2mu3 1
16 "assign (resid 27 and name HB*) (resid 146 and name HD*) 3.900 2.100 2.100 ! could be commented out due to major violation after round 14" 39 1 39 143 parsed_2mu3 1
17 "incr to 5.0 after round 182w. (37 viol avg 0.336)" 40 81 40 132 parsed_2mu3 1
18 "assign (resid 100 and name HA) (resid 182 and name HD*) 3.900 2.100 2.100 ! could be commented out due to major violation after round 2" 47 1 47 142 parsed_2mu3 1
stop_
save_
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