NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
49457 |
2jtn   |
cing | 2-parsed | STAR | distance | NOE | ambi | 9 |
data_2jtn_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2jtn
_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_2jtn 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2jtn
_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 2jtn "Master copy" parsed_2jtn
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2jtn
_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 2jtn.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2jtn 1
1 2jtn.mr . . XPLOR/CNS 2 distance NOE ambi 9 parsed_2jtn 1
1 2jtn.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2jtn 1
1 2jtn.mr . . XPLOR/CNS 4 distance NOE simple 0 parsed_2jtn 1
1 2jtn.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2jtn 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2jtn
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
_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 2 . OR parsed_2jtn 1
1 2 . 3 . parsed_2jtn 1
1 3 . 4 . parsed_2jtn 1
1 4 . . . parsed_2jtn 1
2 1 2 . OR parsed_2jtn 1
2 2 . 3 . parsed_2jtn 1
2 3 . . . parsed_2jtn 1
3 1 2 . OR parsed_2jtn 1
3 2 . 3 . parsed_2jtn 1
3 3 . . . parsed_2jtn 1
4 1 2 . OR parsed_2jtn 1
4 2 . 3 . parsed_2jtn 1
4 3 . . . parsed_2jtn 1
5 1 2 . OR parsed_2jtn 1
5 2 . 3 . parsed_2jtn 1
5 3 . 4 . parsed_2jtn 1
5 4 . . . parsed_2jtn 1
6 1 2 . OR parsed_2jtn 1
6 2 . 3 . parsed_2jtn 1
6 3 . . . parsed_2jtn 1
7 1 2 . OR parsed_2jtn 1
7 2 . 3 . parsed_2jtn 1
7 3 . 4 . parsed_2jtn 1
7 4 . . . parsed_2jtn 1
8 1 2 . OR parsed_2jtn 1
8 2 . 3 . parsed_2jtn 1
8 3 . . . parsed_2jtn 1
9 1 2 . OR parsed_2jtn 1
9 2 . 3 . parsed_2jtn 1
9 3 . . . parsed_2jtn 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 2 1 . . . . . . . . " " 134 . HN parsed_2jtn 1
1 2 2 . . . . . . . . " " 134 . HB parsed_2jtn 1
1 3 1 . . . . . . . . " " 134 . HN parsed_2jtn 1
1 3 2 . . . . . . . . " " 133 . HB3 parsed_2jtn 1
1 4 1 . . . . . . . . " " 20 . HN parsed_2jtn 1
1 4 2 . . . . . . . . " " 19 . HB3 parsed_2jtn 1
2 2 1 . . . . . . . . " " 20 . HN parsed_2jtn 1
2 2 2 . . . . . . . . " " 20 . HD% parsed_2jtn 1
2 3 1 . . . . . . . . " " 127 . HN parsed_2jtn 1
2 3 2 . . . . . . . . " " 144 . HE1 parsed_2jtn 1
3 2 1 . . . . . . . . " " 84 . HA parsed_2jtn 1
3 2 2 . . . . . . . . " " 82 . HD2 parsed_2jtn 1
3 3 1 . . . . . . . . " " 84 . HA parsed_2jtn 1
3 3 2 . . . . . . . . " " 84 . HE1 parsed_2jtn 1
4 2 1 . . . . . . . . " " 86 . HE3 parsed_2jtn 1
4 2 2 . . . . . . . . " " 86 . HG3 parsed_2jtn 1
4 3 1 . . . . . . . . " " 77 . HE3 parsed_2jtn 1
4 3 2 . . . . . . . . " " 77 . HB3 parsed_2jtn 1
5 2 1 . . . . . . . . " " 27 . HD1% parsed_2jtn 1
5 2 2 . . . . . . . . " " 27 . HB3 parsed_2jtn 1
5 3 1 . . . . . . . . " " 76 . HD1% parsed_2jtn 1
5 3 2 . . . . . . . . " " 30 . HG3 parsed_2jtn 1
5 4 1 . . . . . . . . " " 27 . HD1% parsed_2jtn 1
5 4 2 . . . . . . . . " " 100 . HG2 parsed_2jtn 1
6 2 1 . . . . . . . . " " 129 . HG12 parsed_2jtn 1
6 2 2 . . . . . . . . " " 129 . HG2% parsed_2jtn 1
6 3 1 . . . . . . . . " " 130 . HG2 parsed_2jtn 1
6 3 2 . . . . . . . . " " 129 . HG2% parsed_2jtn 1
7 2 1 . . . . . . . . " " 77 . HE3 parsed_2jtn 1
7 2 2 . . . . . . . . " " 77 . HD2 parsed_2jtn 1
7 3 1 . . . . . . . . " " 86 . HE3 parsed_2jtn 1
7 3 2 . . . . . . . . " " 86 . HG2 parsed_2jtn 1
7 4 1 . . . . . . . . " " 86 . HE3 parsed_2jtn 1
7 4 2 . . . . . . . . " " 86 . HD2 parsed_2jtn 1
8 2 1 . . . . . . . . " " 82 . HD2 parsed_2jtn 1
8 2 2 . . . . . . . . " " 84 . HD2 parsed_2jtn 1
8 3 1 . . . . . . . . " " 82 . HD2 parsed_2jtn 1
8 3 2 . . . . . . . . " " 83 . HZ3 parsed_2jtn 1
9 2 1 . . . . . . . . " " 148 . HD% parsed_2jtn 1
9 2 2 . . . . . . . . " " 157 . HB2 parsed_2jtn 1
9 3 1 . . . . . . . . " " 164 . HD% parsed_2jtn 1
9 3 2 . . . . . . . . " " 7 . HB parsed_2jtn 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 2 . . . . . 2.400 1.700 3.100 parsed_2jtn 1
1 3 . . . . . 2.400 1.700 3.100 parsed_2jtn 1
1 4 . . . . . 2.400 1.700 3.100 parsed_2jtn 1
2 2 . . . . . 3.800 2.000 5.600 parsed_2jtn 1
2 3 . . . . . 3.800 2.000 5.600 parsed_2jtn 1
3 2 . . . . . 2.900 0.000 6.000 parsed_2jtn 1
3 3 . . . . . 2.900 0.000 6.000 parsed_2jtn 1
4 2 . . . . . 3.700 2.000 5.400 parsed_2jtn 1
4 3 . . . . . 3.700 2.000 5.400 parsed_2jtn 1
5 2 . . . . . 3.400 2.000 4.800 parsed_2jtn 1
5 3 . . . . . 3.400 2.000 4.800 parsed_2jtn 1
5 4 . . . . . 3.400 2.000 4.800 parsed_2jtn 1
6 2 . . . . . 3.100 1.900 4.300 parsed_2jtn 1
6 3 . . . . . 3.100 1.900 4.300 parsed_2jtn 1
7 2 . . . . . 2.900 1.800 4.000 parsed_2jtn 1
7 3 . . . . . 2.900 1.800 4.000 parsed_2jtn 1
7 4 . . . . . 2.900 1.800 4.000 parsed_2jtn 1
8 2 . . . . . 3.200 0.000 6.000 parsed_2jtn 1
8 3 . . . . . 3.200 0.000 6.000 parsed_2jtn 1
9 2 . . . . . 3.300 1.900 4.700 parsed_2jtn 1
9 3 . . . . . 3.300 1.900 4.700 parsed_2jtn 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 65 2 7 2 7 parsed_2jtn 1
2 65 6 5 6 5 parsed_2jtn 1
3 "peak 65 spectrum 1 weight 0.10000E+01 volume 0.66869E-02 ppm1 8.125 ppm2 1.929 CV 1" 5 33 5 139 parsed_2jtn 1
4 65 9 5 9 5 parsed_2jtn 1
5 743 12 7 12 7 parsed_2jtn 1
6 743 16 5 16 5 parsed_2jtn 1
7 "peak 743 spectrum 1 weight 0.10000E+01 volume 0.65862E-03 ppm1 8.124 ppm2 7.379 CV 1" 15 33 15 139 parsed_2jtn 1
8 173 19 7 19 7 parsed_2jtn 1
9 173 23 5 23 5 parsed_2jtn 1
10 "peak 173 spectrum 1 weight 0.10000E+01 volume 0.21162E-02 ppm1 4.950 ppm2 7.951 CV 1" 22 33 22 139 parsed_2jtn 1
11 572 26 7 26 7 parsed_2jtn 1
12 572 30 5 30 5 parsed_2jtn 1
13 "peak 572 spectrum 1 weight 0.10000E+01 volume 0.78600E-03 ppm1 2.635 ppm2 1.424 CV 1" 29 33 29 139 parsed_2jtn 1
14 641 33 7 33 7 parsed_2jtn 1
15 641 37 5 37 5 parsed_2jtn 1
16 "peak 641 spectrum 1 weight 0.10000E+01 volume 0.88237E-03 ppm1 0.827 ppm2 1.492 CV 1" 36 33 36 139 parsed_2jtn 1
17 641 40 5 40 5 parsed_2jtn 1
18 870 43 7 43 7 parsed_2jtn 1
19 870 47 5 47 5 parsed_2jtn 1
20 "peak 870 spectrum 1 weight 0.10000E+01 volume 0.11938E-02 ppm1 1.602 ppm2 0.790 CV 1" 46 33 46 139 parsed_2jtn 1
21 890 50 7 50 7 parsed_2jtn 1
22 890 54 5 54 5 parsed_2jtn 1
23 "peak 890 spectrum 1 weight 0.10000E+01 volume 0.12235E-02 ppm1 2.642 ppm2 1.631 CV 1" 53 33 53 139 parsed_2jtn 1
24 890 57 5 57 5 parsed_2jtn 1
25 72 60 7 60 7 parsed_2jtn 1
26 72 64 5 64 5 parsed_2jtn 1
27 "peak 72 spectrum 1 weight 0.10000E+01 volume 0.24238E-02 ppm1 7.953 ppm2 7.107 CV 1" 63 33 63 139 parsed_2jtn 1
28 192 67 7 67 7 parsed_2jtn 1
29 192 71 5 71 5 parsed_2jtn 1
30 "peak 192 spectrum 1 weight 0.10000E+01 volume 0.69672E-03 ppm1 6.548 ppm2 1.656 CV 1" 70 33 70 139 parsed_2jtn 1
stop_
save_
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