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 | item_count |
|
|
43710 |
2baf   |
6893 | cing | 2-parsed | STAR | dihedral angle | 51 |
data_2baf_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2baf
_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_2baf 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2baf
_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 2baf "Master copy" parsed_2baf
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2baf
_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 2baf.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2baf 1
1 2baf.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_2baf 1
1 2baf.mr . . XPLOR/CNS 3 distance NOE ambi 138 parsed_2baf 1
1 2baf.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_2baf 1
1 2baf.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 51 parsed_2baf 1
1 2baf.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_2baf 1
1 2baf.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2baf 1
1 2baf.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_2baf 1
1 2baf.mr . . XPLOR/CNS 9 distance "hydrogen bond" simple 0 parsed_2baf 1
1 2baf.mr . . "MR format" 10 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2baf 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2baf
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.08 -59.86 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2baf 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.46 -56.66 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_2baf 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.44 -112.98 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_2baf 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.68 -88.26 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_2baf 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.05 -75.87 . . 52 . C . 53 . N . 53 . CA . 53 . C parsed_2baf 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.96 -88.04 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_2baf 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.32 -101.68 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_2baf 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.51 -103.83 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_2baf 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118.43 -80.47 . . 56 . C . 57 . N . 57 . CA . 57 . C parsed_2baf 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118.76 -90.12 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_2baf 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.37 -109.13 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_2baf 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.09 -83.67 . . 59 . C . 60 . N . 60 . CA . 60 . C parsed_2baf 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.38 -49.38 . . 61 . C . 62 . N . 62 . CA . 62 . C parsed_2baf 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.12 -74.12 . . 62 . C . 63 . N . 63 . CA . 63 . C parsed_2baf 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 82.64 102.64 . . 63 . C . 64 . N . 64 . CA . 64 . C parsed_2baf 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.08 -95.58 . . 66 . C . 67 . N . 67 . CA . 67 . C parsed_2baf 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.64 -100.08 . . 67 . C . 68 . N . 68 . CA . 68 . C parsed_2baf 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.46 -53.88 . . 70 . C . 71 . N . 71 . CA . 71 . C parsed_2baf 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.59 -88.13 . . 71 . C . 72 . N . 72 . CA . 72 . C parsed_2baf 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.77 -107.77 . . 72 . C . 73 . N . 73 . CA . 73 . C parsed_2baf 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.60 -59.60 . . 100 . C . 101 . N . 101 . CA . 101 . C parsed_2baf 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.30 -54.48 . . 102 . C . 103 . N . 103 . CA . 103 . C parsed_2baf 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.36 -59.86 . . 108 . C . 109 . N . 109 . CA . 109 . C parsed_2baf 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.40 -55.74 . . 122 . C . 123 . N . 123 . CA . 123 . C parsed_2baf 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.69 -67.69 . . 123 . C . 124 . N . 124 . CA . 124 . C parsed_2baf 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.50 -28.50 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2baf 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41.00 8.48 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_2baf 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 143.78 166.58 . . 48 . N . 48 . CA . 48 . C . 49 . N parsed_2baf 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.88 143.88 . . 49 . N . 49 . CA . 49 . C . 50 . N parsed_2baf 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.55 157.79 . . 53 . N . 53 . CA . 53 . C . 54 . N parsed_2baf 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.44 142.98 . . 54 . N . 54 . CA . 54 . C . 55 . N parsed_2baf 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.18 144.02 . . 55 . N . 55 . CA . 55 . C . 56 . N parsed_2baf 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.93 139.23 . . 56 . N . 56 . CA . 56 . C . 57 . N parsed_2baf 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.41 139.05 . . 57 . N . 57 . CA . 57 . C . 58 . N parsed_2baf 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.89 142.05 . . 58 . N . 58 . CA . 58 . C . 59 . N parsed_2baf 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.33 157.29 . . 59 . N . 59 . CA . 59 . C . 60 . N parsed_2baf 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.42 132.98 . . 60 . N . 60 . CA . 60 . C . 61 . N parsed_2baf 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.83 202.83 . . 61 . N . 61 . CA . 61 . C . 62 . N parsed_2baf 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.72 -19.72 . . 62 . N . 62 . CA . 62 . C . 63 . N parsed_2baf 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -11.47 8.53 . . 63 . N . 63 . CA . 63 . C . 64 . N parsed_2baf 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -12.69 7.31 . . 64 . N . 64 . CA . 64 . C . 65 . N parsed_2baf 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.25 153.05 . . 67 . N . 67 . CA . 67 . C . 68 . N parsed_2baf 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.96 132.96 . . 68 . N . 68 . CA . 68 . C . 69 . N parsed_2baf 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.04 156.64 . . 71 . N . 71 . CA . 71 . C . 72 . N parsed_2baf 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.75 142.71 . . 72 . N . 72 . CA . 72 . C . 73 . N parsed_2baf 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.24 151.78 . . 73 . N . 73 . CA . 73 . C . 74 . N parsed_2baf 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.05 -10.29 . . 101 . N . 101 . CA . 101 . C . 102 . N parsed_2baf 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.55 -22.75 . . 103 . N . 103 . CA . 103 . C . 104 . N parsed_2baf 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.35 3.31 . . 109 . N . 109 . CA . 109 . C . 110 . N parsed_2baf 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.33 147.33 . . 123 . N . 123 . CA . 123 . C . 124 . N parsed_2baf 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.53 161.59 . . 124 . N . 124 . CA . 124 . C . 125 . N parsed_2baf 1
stop_
save_
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