NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
48862 |
2jov   |
15203 | cing | 2-parsed | STAR | dihedral angle | 62 |
data_2jov_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2jov
_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_2jov 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2jov
_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 2jov "Master copy" parsed_2jov
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2jov
_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 2jov.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2jov 1
1 2jov.mr . . XPLOR/CNS 2 distance NOE simple 690 parsed_2jov 1
1 2jov.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 62 parsed_2jov 1
1 2jov.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_2jov 1
1 2jov.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2jov 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2jov
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.77 -74.77 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_2jov 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.06 190.06 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_2jov 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.57 -80.57 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2jov 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.77 179.77 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_2jov 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.25 -59.25 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_2jov 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.56 169.56 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_2jov 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.48 -98.48 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2jov 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.48 200.48 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_2jov 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.11 -110.11 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2jov 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.42 196.42 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_2jov 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.67 -105.67 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2jov 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.29 184.29 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_2jov 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.23 -84.23 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2jov 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93.31 173.31 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_2jov 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.17 -80.17 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2jov 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.92 180.92 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2jov 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.79 -103.79 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2jov 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.04 194.04 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2jov 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.79 -106.79 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_2jov 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.47 189.47 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_2jov 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.19 -100.19 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2jov 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.77 178.77 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_2jov 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.42 -109.42 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2jov 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.79 182.79 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2jov 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.45 -93.45 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_2jov 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.96 181.96 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_2jov 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.42 -38.42 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_2jov 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.2 182.2 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_2jov 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.14 -56.14 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_2jov 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.82 25.18 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_2jov 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.51 -27.51 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_2jov 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.36 -1.36 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_2jov 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.08 -34.08 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_2jov 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.23 -3.23 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_2jov 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.59 -32.59 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_2jov 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.26 -0.26 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_2jov 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.89 -36.89 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_2jov 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.26 -2.26 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_2jov 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.32 -33.32 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_2jov 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.53 1.47 . . 38 . N . 38 . CA . 38 . C . 39 . N parsed_2jov 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.07 -35.07 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_2jov 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.67 -0.67 . . 39 . N . 39 . CA . 39 . C . 40 . N parsed_2jov 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.85 -33.85 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_2jov 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.01 -5.01 . . 40 . N . 40 . CA . 40 . C . 41 . N parsed_2jov 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.88 -30.88 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_2jov 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.02 -1.02 . . 41 . N . 41 . CA . 41 . C . 42 . N parsed_2jov 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.04 -38.04 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_2jov 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.44 6.56 . . 42 . N . 42 . CA . 42 . C . 43 . N parsed_2jov 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.67 -70.67 . . 56 . C . 57 . N . 57 . CA . 57 . C parsed_2jov 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85.58 165.58 . . 57 . N . 57 . CA . 57 . C . 58 . N parsed_2jov 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.89 -75.89 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_2jov 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 81.78 161.78 . . 58 . N . 58 . CA . 58 . C . 59 . N parsed_2jov 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.8 -66.8 . . 64 . C . 65 . N . 65 . CA . 65 . C parsed_2jov 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.11 179.11 . . 65 . N . 65 . CA . 65 . C . 66 . N parsed_2jov 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.65 -95.65 . . 65 . C . 66 . N . 66 . CA . 66 . C parsed_2jov 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.86 178.86 . . 66 . N . 66 . CA . 66 . C . 67 . N parsed_2jov 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.63 -96.63 . . 70 . C . 71 . N . 71 . CA . 71 . C parsed_2jov 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.16 193.16 . . 71 . N . 71 . CA . 71 . C . 72 . N parsed_2jov 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.71 -66.71 . . 71 . C . 72 . N . 72 . CA . 72 . C parsed_2jov 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85.25 165.25 . . 72 . N . 72 . CA . 72 . C . 73 . N parsed_2jov 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.82 -59.82 . . 72 . C . 73 . N . 73 . CA . 73 . C parsed_2jov 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.77 167.77 . . 73 . N . 73 . CA . 73 . C . 74 . N parsed_2jov 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
;
Manual Input
PHI for LYS 3
;
2 1 4 16 parsed_2jov 1
2 "PSI for LYS 3" 8 1 8 16 parsed_2jov 1
3 "PHI for ASP 4" 12 1 12 16 parsed_2jov 1
4 "PSI for ASP 4" 16 1 16 16 parsed_2jov 1
5 "PHI for PHE 6" 20 1 20 16 parsed_2jov 1
6 "PSI for PHE 6" 24 1 24 16 parsed_2jov 1
7 "PHI for THR 7" 28 1 28 16 parsed_2jov 1
8 "PSI for THR 7" 32 1 32 16 parsed_2jov 1
9 "PHI for VAL 9" 36 1 36 16 parsed_2jov 1
10 "PSI for VAL 9" 40 1 40 16 parsed_2jov 1
11 "PHI for VAL 10" 44 1 44 17 parsed_2jov 1
12 "PSI for VAL 10" 48 1 48 17 parsed_2jov 1
13 "PHI for VAL 12" 52 1 52 17 parsed_2jov 1
14 "PSI for VAL 12" 56 1 56 17 parsed_2jov 1
15 "PHI for ARG 13" 60 1 60 17 parsed_2jov 1
16 "PSI for ARG 13" 64 1 64 17 parsed_2jov 1
17 "PHI for VAL 20" 68 1 68 17 parsed_2jov 1
18 "PSI for VAL 20" 72 1 72 17 parsed_2jov 1
19 "PHI for VAL 21" 76 1 76 17 parsed_2jov 1
20 "PSI for VAL 21" 80 1 80 17 parsed_2jov 1
21 "PHI for LYS 24" 84 1 84 17 parsed_2jov 1
22 "PSI for LYS 24" 88 1 88 17 parsed_2jov 1
23 "PHI for SER 25" 92 1 92 17 parsed_2jov 1
24 "PSI for SER 25" 96 1 96 17 parsed_2jov 1
25 "PHI for VAL 29" 100 1 100 17 parsed_2jov 1
26 "PSI for VAL 29" 104 1 104 17 parsed_2jov 1
27 "PHI for GLU 30" 108 1 108 17 parsed_2jov 1
28 "PSI for GLU 30" 112 1 112 17 parsed_2jov 1
29 "PHI for LYS 33" 116 1 116 17 parsed_2jov 1
30 "PSI for LYS 33" 120 1 120 17 parsed_2jov 1
31 "PHI for TRP 34" 124 1 124 17 parsed_2jov 1
32 "PSI for TRP 34" 128 1 128 17 parsed_2jov 1
33 "PHI for ILE 35" 132 1 132 17 parsed_2jov 1
34 "PSI for ILE 35" 136 1 136 17 parsed_2jov 1
35 "PHI for ASP 36" 140 1 140 17 parsed_2jov 1
36 "PSI for ASP 36" 144 1 144 17 parsed_2jov 1
37 "PHI for PHE 37" 148 1 148 17 parsed_2jov 1
38 "PSI for PHE 37" 152 1 152 17 parsed_2jov 1
39 "PHI for SER 38" 156 1 156 17 parsed_2jov 1
40 "PSI for SER 38" 160 1 160 17 parsed_2jov 1
41 "PHI for ASN 39" 164 1 164 17 parsed_2jov 1
42 "PSI for ASN 39" 168 1 168 17 parsed_2jov 1
43 "PHI for VAL 40" 172 1 172 17 parsed_2jov 1
44 "PSI for VAL 40" 176 1 176 17 parsed_2jov 1
45 "PHI for LEU 41" 180 1 180 17 parsed_2jov 1
46 "PSI for LEU 41" 184 1 184 17 parsed_2jov 1
47 "PHI for SER 42" 188 1 188 17 parsed_2jov 1
48 "PSI for SER 42" 192 1 192 17 parsed_2jov 1
49 "PHI for CYS 57" 196 1 196 17 parsed_2jov 1
50 "PSI for CYS 57" 200 1 200 17 parsed_2jov 1
51 "PHI for LYS 58" 204 1 204 17 parsed_2jov 1
52 "PSI for LYS 58" 208 1 208 17 parsed_2jov 1
53 "PHI for VAL 65" 212 1 212 17 parsed_2jov 1
54 "PSI for VAL 65" 216 1 216 17 parsed_2jov 1
55 "PHI for ASP 66" 220 1 220 17 parsed_2jov 1
56 "PSI for ASP 66" 224 1 224 17 parsed_2jov 1
57 "PHI for LYS 71" 228 1 228 17 parsed_2jov 1
58 "PSI for LYS 71" 232 1 232 17 parsed_2jov 1
59 "PHI for ASN 72" 236 1 236 17 parsed_2jov 1
60 "PSI for ASN 72" 240 1 240 17 parsed_2jov 1
61 "PHI for LEU 73" 244 1 244 17 parsed_2jov 1
62 "PSI for LEU 73" 248 1 248 17 parsed_2jov 1
63 "END Manual Input" 252 1 252 18 parsed_2jov 1
stop_
save_
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