NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
550638 |
2lze   |
18749 | cing | 2-parsed | STAR | dihedral angle | 34 |
data_2lze_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lze
_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_2lze 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lze
_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 2lze "Master copy" parsed_2lze
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lze
_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 2lze.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lze 1
1 2lze.mr . . XPLOR/CNS 2 distance NOE ambi 354 parsed_2lze 1
1 2lze.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 26 parsed_2lze 1
1 2lze.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 34 parsed_2lze 1
1 2lze.mr . . XPLOR/CNS 5 "molecular system" "Not applicable" "Not applicable" 0 parsed_2lze 1
1 2lze.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lze 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2lze
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_2lze 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_2lze 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2lze 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2lze 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_2lze 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_2lze 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 56 . C . 57 . N . 57 . CA . 57 . C parsed_2lze 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_2lze 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 59 . C . 60 . N . 60 . CA . 60 . C parsed_2lze 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 61 . C . 62 . N . 62 . CA . 62 . C parsed_2lze 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 62 . C . 63 . N . 63 . CA . 63 . C parsed_2lze 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 63 . C . 64 . N . 64 . CA . 64 . C parsed_2lze 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 65 . C . 66 . N . 66 . CA . 66 . C parsed_2lze 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 66 . C . 67 . N . 67 . CA . 67 . C parsed_2lze 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 67 . C . 68 . N . 68 . CA . 68 . C parsed_2lze 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20 220 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_2lze 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20 220 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2lze 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140 80 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_2lze 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20 220 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2lze 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20 220 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_2lze 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140 80 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_2lze 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20 220 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_2lze 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20 220 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_2lze 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20 220 . . 41 . N . 41 . CA . 41 . C . 42 . N parsed_2lze 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20 220 . . 43 . N . 43 . CA . 43 . C . 44 . N parsed_2lze 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140 80 . . 54 . N . 54 . CA . 54 . C . 55 . N parsed_2lze 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140 80 . . 55 . N . 55 . CA . 55 . C . 56 . N parsed_2lze 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20 220 . . 57 . N . 57 . CA . 57 . C . 58 . N parsed_2lze 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140 80 . . 58 . N . 58 . CA . 58 . C . 59 . N parsed_2lze 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140 80 . . 59 . N . 59 . CA . 59 . C . 60 . N parsed_2lze 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140 80 . . 61 . N . 61 . CA . 61 . C . 62 . N parsed_2lze 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140 80 . . 62 . N . 62 . CA . 62 . C . 63 . N parsed_2lze 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20 220 . . 63 . N . 63 . CA . 63 . C . 64 . N parsed_2lze 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140 80 . . 67 . N . 67 . CA . 67 . C . 68 . N parsed_2lze 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 "I 19 Phi" 1 1 1 22 parsed_2lze 1
2 "A 21 Phi" 4 1 4 22 parsed_2lze 1
3 "N 25 Phi" 7 1 7 22 parsed_2lze 1
4 "N 26 Phi" 10 1 10 22 parsed_2lze 1
5 "T 33 Phi" 13 1 13 22 parsed_2lze 1
6 "Y 44 Phi" 16 1 16 22 parsed_2lze 1
7 "C 57 Phi" 19 1 19 22 parsed_2lze 1
8 "Y 59 Phi" 22 1 22 22 parsed_2lze 1
9 "C 60 Phi" 25 1 25 22 parsed_2lze 1
10 "Y 62 Phi" 28 1 28 22 parsed_2lze 1
11 "Q 63 Phi" 31 1 31 22 parsed_2lze 1
12 "K 64 Phi" 34 1 34 22 parsed_2lze 1
13 "L 66 Phi" 37 1 37 22 parsed_2lze 1
14 "A 67 Phi" 40 1 40 22 parsed_2lze 1
15 "I 68 Phi" 43 1 43 22 parsed_2lze 1
16 "I 19 Psi" 49 1 49 13 parsed_2lze 1
17 "C 20 Psi" 52 1 52 13 parsed_2lze 1
18 "A 21 Psi" 55 1 55 13 parsed_2lze 1
19 "N 25 Psi" 58 1 58 13 parsed_2lze 1
20 "K 31 Psi" 61 1 61 13 parsed_2lze 1
21 "D 34 Psi" 64 1 64 13 parsed_2lze 1
22 "D 36 Psi" 67 1 67 13 parsed_2lze 1
23 "L 37 Psi" 70 1 70 13 parsed_2lze 1
24 "D 41 Psi" 73 1 73 13 parsed_2lze 1
25 "D 43 Psi" 76 1 76 13 parsed_2lze 1
26 "S 54 Psi" 79 1 79 13 parsed_2lze 1
27 "D 55 Psi" 82 1 82 13 parsed_2lze 1
28 "C 57 Psi" 85 1 85 13 parsed_2lze 1
29 "Q 58 Psi" 88 1 88 13 parsed_2lze 1
30 "Y 59 Psi" 91 1 91 13 parsed_2lze 1
31 "R 61 Psi" 94 1 94 13 parsed_2lze 1
32 "Y 62 Psi" 97 1 97 13 parsed_2lze 1
33 "Q 63 Psi" 100 1 100 13 parsed_2lze 1
34 "A 67 Psi" 103 1 103 13 parsed_2lze 1
stop_
save_
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