NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
36520 |
1np5   |
cing | 2-parsed | STAR | dihedral angle | 39 |
data_1np5_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1np5
_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_1np5 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1np5
_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 1np5 "Master copy" parsed_1np5
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1np5
_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 1np5.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1np5 1
1 1np5.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 39 parsed_1np5 1
1 1np5.mr . . XPLOR/CNS 3 distance NOE simple 357 parsed_1np5 1
1 1np5.mr . . XPLOR/CNS 4 distance NOE simple 194 parsed_1np5 1
1 1np5.mr . . XPLOR/CNS 5 distance NOE simple 18 parsed_1np5 1
1 1np5.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 39 parsed_1np5 1
1 1np5.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1np5 1
1 1np5.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1np5 1
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1np5
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -60.00 . . 1 . C4 . 1 . N9 . 1 . C1' . 1 . O4' parsed_1np5 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -60.00 . . 2 . C4 . 2 . N9 . 2 . C1' . 2 . O4' parsed_1np5 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -60.00 . . 3 . C2 . 3 . N1 . 3 . C1' . 3 . O4' parsed_1np5 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -40.00 . . 4 . C4 . 4 . N9 . 4 . C1' . 4 . O4' parsed_1np5 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -60.00 . . 5 . C4 . 5 . N9 . 5 . C1' . 5 . O4' parsed_1np5 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -60.00 . . 6 . C2 . 6 . N1 . 6 . C1' . 6 . O4' parsed_1np5 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -60.00 . . 7 . C4 . 7 . N9 . 7 . C1' . 7 . O4' parsed_1np5 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -60.00 . . 8 . C4 . 8 . N9 . 8 . C1' . 8 . O4' parsed_1np5 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -60.00 . . 9 . C2 . 9 . N1 . 9 . C1' . 9 . O4' parsed_1np5 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -60.00 . . 101 . C4 . 101 . N9 . 101 . C1' . 101 . O4' parsed_1np5 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -60.00 . . 102 . C4 . 102 . N9 . 102 . C1' . 102 . O4' parsed_1np5 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -60.00 . . 103 . C2 . 103 . N1 . 103 . C1' . 103 . O4' parsed_1np5 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -40.00 . . 104 . C4 . 104 . N9 . 104 . C1' . 104 . O4' parsed_1np5 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -60.00 . . 105 . C4 . 105 . N9 . 105 . C1' . 105 . O4' parsed_1np5 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -60.00 . . 106 . C2 . 106 . N1 . 106 . C1' . 106 . O4' parsed_1np5 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -60.00 . . 107 . C4 . 107 . N9 . 107 . C1' . 107 . O4' parsed_1np5 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -60.00 . . 108 . C4 . 108 . N9 . 108 . C1' . 108 . O4' parsed_1np5 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -60.00 . . 109 . C2 . 109 . N1 . 109 . C1' . 109 . O4' parsed_1np5 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.00 95.00 . . 1 . O5' . 1 . C5' . 1 . C4' . 1 . C3' parsed_1np5 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 2 . O5' . 2 . C5' . 2 . C4' . 2 . C3' parsed_1np5 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 3 . O5' . 3 . C5' . 3 . C4' . 3 . C3' parsed_1np5 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.00 95.00 . . 4 . O5' . 4 . C5' . 4 . C4' . 4 . C3' parsed_1np5 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 5 . O5' . 5 . C5' . 5 . C4' . 5 . C3' parsed_1np5 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 6 . O5' . 6 . C5' . 6 . C4' . 6 . C3' parsed_1np5 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.00 95.00 . . 7 . O5' . 7 . C5' . 7 . C4' . 7 . C3' parsed_1np5 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 8 . O5' . 8 . C5' . 8 . C4' . 8 . C3' parsed_1np5 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 9 . O5' . 9 . C5' . 9 . C4' . 9 . C3' parsed_1np5 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.00 95.00 . . 101 . O5' . 101 . C5' . 101 . C4' . 101 . C3' parsed_1np5 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 102 . O5' . 102 . C5' . 102 . C4' . 102 . C3' parsed_1np5 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 103 . O5' . 103 . C5' . 103 . C4' . 103 . C3' parsed_1np5 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.00 95.00 . . 104 . O5' . 104 . C5' . 104 . C4' . 104 . C3' parsed_1np5 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 105 . O5' . 105 . C5' . 105 . C4' . 105 . C3' parsed_1np5 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 106 . O5' . 106 . C5' . 106 . C4' . 106 . C3' parsed_1np5 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.00 95.00 . . 107 . O5' . 107 . C5' . 107 . C4' . 107 . C3' parsed_1np5 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 108 . O5' . 108 . C5' . 108 . C4' . 108 . C3' parsed_1np5 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 109 . O5' . 109 . C5' . 109 . C4' . 109 . C3' parsed_1np5 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.00 -110.00 . . 3 . P . 3 . O5' . 3 . C5' . 3 . C4' parsed_1np5 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.00 -110.00 . . 6 . P . 6 . O5' . 6 . C5' . 6 . C4' parsed_1np5 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.00 -110.00 . . 9 . P . 9 . O5' . 9 . C5' . 9 . C4' parsed_1np5 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;
glycosidic angles
the values are estimated from the 50 ms NOESY
no syn conformation, large error bars are given to allow motions
;
1 1 3 73 parsed_1np5 1
2 "special strong NOE from H8 to H2'/2''" 10 1 10 46 parsed_1np5 1
3 "special strong NOE from H8 to H2'/2''" 29 1 29 46 parsed_1np5 1
4 "gama angles" 43 1 43 19 parsed_1np5 1
5
;
betta angle
special g+ conformations for all C's(2d 31P data)
;
81 1 82 57 parsed_1np5 1
stop_
save_
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