NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
541951 |
2lod   |
18209 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 23 |
data_2lod_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lod
_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_2lod 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lod
_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 2lod "Master copy" parsed_2lod
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lod
_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 2lod.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lod 1
1 2lod.mr . . AMBER 2 distance NOE simple 0 parsed_2lod 1
1 2lod.mr . . AMBER 3 distance "hydrogen bond" simple 23 parsed_2lod 1
1 2lod.mr . . AMBER 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2lod 1
1 2lod.mr . . AMBER 5 planarity "Not applicable" "Not applicable" 0 parsed_2lod 1
1 2lod.mr . . PDB 6 coordinate initial "Not applicable" 0 parsed_2lod 1
1 2lod.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lod 1
stop_
save_
save_AMBER_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2lod
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_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_2lod 1
2 1 . . . parsed_2lod 1
3 1 . . . parsed_2lod 1
4 1 . . . parsed_2lod 1
5 1 . . . parsed_2lod 1
6 1 . . . parsed_2lod 1
7 1 . . . parsed_2lod 1
8 1 . . . parsed_2lod 1
9 1 . . . parsed_2lod 1
10 1 . . . parsed_2lod 1
11 1 . . . parsed_2lod 1
12 1 . . . parsed_2lod 1
13 1 . . . parsed_2lod 1
14 1 . . . parsed_2lod 1
15 1 . . . parsed_2lod 1
16 1 . . . parsed_2lod 1
17 1 . . . parsed_2lod 1
18 1 . . . parsed_2lod 1
19 1 . . . parsed_2lod 1
20 1 . . . parsed_2lod 1
21 1 . . . parsed_2lod 1
22 1 . . . parsed_2lod 1
23 1 . . . parsed_2lod 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 . . . . . . . . 2lod_ambr001 20 DG N7 parsed_2lod 1
1 1 2 . . . . . . . . 2lod_ambr001 16 DG H21 parsed_2lod 1
2 1 1 . . . . . . . . 2lod_ambr001 1 DG O6 parsed_2lod 1
2 1 2 . . . . . . . . 2lod_ambr001 6 DG H1 parsed_2lod 1
3 1 1 . . . . . . . . 2lod_ambr001 1 DG N7 parsed_2lod 1
3 1 2 . . . . . . . . 2lod_ambr001 6 DG H21 parsed_2lod 1
4 1 1 . . . . . . . . 2lod_ambr001 7 DG O6 parsed_2lod 1
4 1 2 . . . . . . . . 2lod_ambr001 2 DG H1 parsed_2lod 1
5 1 1 . . . . . . . . 2lod_ambr001 7 DG N7 parsed_2lod 1
5 1 2 . . . . . . . . 2lod_ambr001 2 DG H21 parsed_2lod 1
6 1 1 . . . . . . . . 2lod_ambr001 15 DG O6 parsed_2lod 1
6 1 2 . . . . . . . . 2lod_ambr001 21 DG H1 parsed_2lod 1
7 1 1 . . . . . . . . 2lod_ambr001 15 DG N7 parsed_2lod 1
7 1 2 . . . . . . . . 2lod_ambr001 21 DG H21 parsed_2lod 1
8 1 1 . . . . . . . . 2lod_ambr001 8 DG O6 parsed_2lod 1
8 1 2 . . . . . . . . 2lod_ambr001 3 DG H1 parsed_2lod 1
9 1 1 . . . . . . . . 2lod_ambr001 8 DG N7 parsed_2lod 1
9 1 2 . . . . . . . . 2lod_ambr001 3 DG H21 parsed_2lod 1
10 1 1 . . . . . . . . 2lod_ambr001 14 DG O6 parsed_2lod 1
10 1 2 . . . . . . . . 2lod_ambr001 22 DG H1 parsed_2lod 1
11 1 1 . . . . . . . . 2lod_ambr001 14 DG N7 parsed_2lod 1
11 1 2 . . . . . . . . 2lod_ambr001 22 DG H21 parsed_2lod 1
12 1 1 . . . . . . . . 2lod_ambr001 16 DG O6 parsed_2lod 1
12 1 2 . . . . . . . . 2lod_ambr001 1 DG H1 parsed_2lod 1
13 1 1 . . . . . . . . 2lod_ambr001 16 DG N7 parsed_2lod 1
13 1 2 . . . . . . . . 2lod_ambr001 1 DG H21 parsed_2lod 1
14 1 1 . . . . . . . . 2lod_ambr001 6 DG O6 parsed_2lod 1
14 1 2 . . . . . . . . 2lod_ambr001 20 DG H1 parsed_2lod 1
15 1 1 . . . . . . . . 2lod_ambr001 6 DG N7 parsed_2lod 1
15 1 2 . . . . . . . . 2lod_ambr001 20 DG H21 parsed_2lod 1
16 1 1 . . . . . . . . 2lod_ambr001 2 DG O6 parsed_2lod 1
16 1 2 . . . . . . . . 2lod_ambr001 15 DG H1 parsed_2lod 1
17 1 1 . . . . . . . . 2lod_ambr001 2 DG N7 parsed_2lod 1
17 1 2 . . . . . . . . 2lod_ambr001 15 DG H21 parsed_2lod 1
18 1 1 . . . . . . . . 2lod_ambr001 21 DG O6 parsed_2lod 1
18 1 2 . . . . . . . . 2lod_ambr001 7 DG H1 parsed_2lod 1
19 1 1 . . . . . . . . 2lod_ambr001 21 DG N7 parsed_2lod 1
19 1 2 . . . . . . . . 2lod_ambr001 7 DG H21 parsed_2lod 1
20 1 1 . . . . . . . . 2lod_ambr001 3 DG O6 parsed_2lod 1
20 1 2 . . . . . . . . 2lod_ambr001 14 DG H1 parsed_2lod 1
21 1 1 . . . . . . . . 2lod_ambr001 3 DG N7 parsed_2lod 1
21 1 2 . . . . . . . . 2lod_ambr001 14 DG H21 parsed_2lod 1
22 1 1 . . . . . . . . 2lod_ambr001 22 DG O6 parsed_2lod 1
22 1 2 . . . . . . . . 2lod_ambr001 8 DG H1 parsed_2lod 1
23 1 1 . . . . . . . . 2lod_ambr001 22 DG N7 parsed_2lod 1
23 1 2 . . . . . . . . 2lod_ambr001 8 DG H21 parsed_2lod 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 . . . . . 2.10 1.90 2.60 parsed_2lod 1
2 1 . . . . . 1.90 1.70 2.40 parsed_2lod 1
3 1 . . . . . 2.10 1.90 2.60 parsed_2lod 1
4 1 . . . . . 1.90 1.70 2.40 parsed_2lod 1
5 1 . . . . . 2.10 1.90 2.60 parsed_2lod 1
6 1 . . . . . 1.90 1.70 2.40 parsed_2lod 1
7 1 . . . . . 2.10 1.90 2.60 parsed_2lod 1
8 1 . . . . . 1.90 1.70 2.40 parsed_2lod 1
9 1 . . . . . 2.10 1.90 2.60 parsed_2lod 1
10 1 . . . . . 1.90 1.70 2.40 parsed_2lod 1
11 1 . . . . . 2.10 1.90 2.60 parsed_2lod 1
12 1 . . . . . 1.90 1.70 2.40 parsed_2lod 1
13 1 . . . . . 2.10 1.90 2.60 parsed_2lod 1
14 1 . . . . . 1.90 1.70 2.40 parsed_2lod 1
15 1 . . . . . 2.10 1.90 2.60 parsed_2lod 1
16 1 . . . . . 1.90 1.70 2.40 parsed_2lod 1
17 1 . . . . . 2.10 1.90 2.60 parsed_2lod 1
18 1 . . . . . 1.90 1.70 2.40 parsed_2lod 1
19 1 . . . . . 2.10 1.90 2.60 parsed_2lod 1
20 1 . . . . . 1.90 1.70 2.40 parsed_2lod 1
21 1 . . . . . 2.10 1.90 2.60 parsed_2lod 1
22 1 . . . . . 1.90 1.70 2.40 parsed_2lod 1
23 1 . . . . . 2.10 1.90 2.60 parsed_2lod 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 "20 DG N7 16 DG H21 1.9 2.1" 7 1 8 42 parsed_2lod 1
2 "1 DG O6 6 DG H1 1.7 1.9" 11 1 13 42 parsed_2lod 1
3 "1 DG N7 6 DG H21 1.9 2.1" 16 1 17 42 parsed_2lod 1
4 "7 DG O6 2 DG H1 1.7 1.9" 20 1 21 42 parsed_2lod 1
5 "7 DG N7 2 DG H21 1.9 2.1" 24 1 25 42 parsed_2lod 1
6 "15 DG O6 21 DG H1 1.7 1.9" 28 1 29 42 parsed_2lod 1
7 "15 DG N7 21 DG H21 1.9 2.1" 32 1 33 42 parsed_2lod 1
8 "8 DG O6 3 DG H1 1.7 1.9" 36 1 37 42 parsed_2lod 1
9 "8 DG N7 3 DG H21 1.9 2.1" 40 1 41 42 parsed_2lod 1
10 "14 DG O6 22 DG H1 1.7 1.9" 44 1 45 42 parsed_2lod 1
11 "14 DG N7 22 DG H21 1.9 2.1" 48 1 49 42 parsed_2lod 1
12 "16 DG O6 1 DG H1 1.7 1.9" 52 1 53 42 parsed_2lod 1
13 "16 DG N7 1 DG H21 1.9 2.1" 56 1 57 42 parsed_2lod 1
14 "6 DG O6 20 DG H1 1.7 1.9" 60 1 61 42 parsed_2lod 1
15 "6 DG N7 20 DG H21 1.9 2.1" 64 1 65 42 parsed_2lod 1
16 "2 DG O6 15 DG H1 1.7 1.9" 68 1 69 42 parsed_2lod 1
17 "2 DG N7 15 DG H21 1.9 2.1" 72 1 73 42 parsed_2lod 1
18 "21 DG O6 7 DG H1 1.7 1.9" 76 1 77 42 parsed_2lod 1
19 "21 DG N7 7 DG H21 1.9 2.1" 80 1 81 42 parsed_2lod 1
20 "3 DG O6 14 DG H1 1.7 1.9" 84 1 85 42 parsed_2lod 1
21 "3 DG N7 14 DG H21 1.9 2.1" 88 1 89 42 parsed_2lod 1
22 "22 DG O6 8 DG H1 1.7 1.9" 92 1 93 42 parsed_2lod 1
23 "22 DG N7 8 DG H21 1.9 2.1" 96 1 97 42 parsed_2lod 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1
;
&rst
ixpk= 0, nxpk= 0, iat= 629, 503, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40,
rk2=60.0, rk3=60.0, ir6=1, ialtd=0, nstep1=0, nstep2=100000,
&end
;
3 2 6 6 parsed_2lod 1
stop_
save_
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