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 |
|
|
594402 |
2mul   |
25219 | cing | 2-parsed | STAR | dihedral angle | 72 |
data_2mul_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mul
_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_2mul 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mul
_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 2mul "Master copy" parsed_2mul
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mul
_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 2mul.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mul 1
1 2mul.mr . . XPLOR/CNS 2 distance NOE simple 658 parsed_2mul 1
1 2mul.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 72 parsed_2mul 1
1 2mul.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_2mul 1
1 2mul.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mul 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2mul
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.0 -44.0 . . 2951 . C . 2952 . N . 2952 . CA . 2952 . C parsed_2mul 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.0 32.0 . . 2952 . N . 2952 . CA . 2952 . C . 2953 . N parsed_2mul 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.4 -11.4 . . 2954 . C . 2955 . N . 2955 . CA . 2955 . C parsed_2mul 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.0 207.0 . . 2955 . N . 2955 . CA . 2955 . C . 2956 . N parsed_2mul 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.0 -27.4 . . 2955 . C . 2956 . N . 2956 . CA . 2956 . C parsed_2mul 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 69.0 189.0 . . 2956 . N . 2956 . CA . 2956 . C . 2957 . N parsed_2mul 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.4 -30.0 . . 2957 . C . 2958 . N . 2958 . CA . 2958 . C parsed_2mul 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.1 48.9 . . 2958 . N . 2958 . CA . 2958 . C . 2959 . N parsed_2mul 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 45.0 119.4 . . 2959 . C . 2960 . N . 2960 . CA . 2960 . C parsed_2mul 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.5 63.5 . . 2960 . N . 2960 . CA . 2960 . C . 2961 . N parsed_2mul 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.4 -4.4 . . 2960 . C . 2961 . N . 2961 . CA . 2961 . C parsed_2mul 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 82.7 202.7 . . 2961 . N . 2961 . CA . 2961 . C . 2962 . N parsed_2mul 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.7 -15.7 . . 2961 . C . 2962 . N . 2962 . CA . 2962 . C parsed_2mul 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 79.9 199.9 . . 2962 . N . 2962 . CA . 2962 . C . 2963 . N parsed_2mul 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118.4 -45.2 . . 2962 . C . 2963 . N . 2963 . CA . 2963 . C parsed_2mul 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.2 176.8 . . 2963 . N . 2963 . CA . 2963 . C . 2964 . N parsed_2mul 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.5 -39.5 . . 2964 . C . 2965 . N . 2965 . CA . 2965 . C parsed_2mul 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.6 157.0 . . 2965 . N . 2965 . CA . 2965 . C . 2966 . N parsed_2mul 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 61.0 115.0 . . 2965 . C . 2966 . N . 2966 . CA . 2966 . C parsed_2mul 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.6 26.8 . . 2966 . N . 2966 . CA . 2966 . C . 2967 . N parsed_2mul 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.2 -18.2 . . 2966 . C . 2967 . N . 2967 . CA . 2967 . C parsed_2mul 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91.6 177.4 . . 2967 . N . 2967 . CA . 2967 . C . 2968 . N parsed_2mul 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.7 -24.7 . . 2967 . C . 2968 . N . 2968 . CA . 2968 . C parsed_2mul 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.1 190.1 . . 2968 . N . 2968 . CA . 2968 . C . 2969 . N parsed_2mul 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.5 -50.5 . . 2969 . C . 2970 . N . 2970 . CA . 2970 . C parsed_2mul 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.6 -9.6 . . 2970 . N . 2970 . CA . 2970 . C . 2971 . N parsed_2mul 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.9 -49.9 . . 2970 . C . 2971 . N . 2971 . CA . 2971 . C parsed_2mul 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.4 -9.8 . . 2971 . N . 2971 . CA . 2971 . C . 2972 . N parsed_2mul 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.1 -47.3 . . 2971 . C . 2972 . N . 2972 . CA . 2972 . C parsed_2mul 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.2 4.2 . . 2972 . N . 2972 . CA . 2972 . C . 2973 . N parsed_2mul 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.4 -45.0 . . 2972 . C . 2973 . N . 2973 . CA . 2973 . C parsed_2mul 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.0 1.2 . . 2973 . N . 2973 . CA . 2973 . C . 2974 . N parsed_2mul 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.8 -64.2 . . 2973 . C . 2974 . N . 2974 . CA . 2974 . C parsed_2mul 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.5 43.5 . . 2974 . N . 2974 . CA . 2974 . C . 2975 . N parsed_2mul 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.8 -39.8 . . 2974 . C . 2975 . N . 2975 . CA . 2975 . C parsed_2mul 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.1 175.1 . . 2975 . N . 2975 . CA . 2975 . C . 2976 . N parsed_2mul 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.8 -27.2 . . 2976 . C . 2977 . N . 2977 . CA . 2977 . C parsed_2mul 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.2 -17.4 . . 2977 . N . 2977 . CA . 2977 . C . 2978 . N parsed_2mul 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.2 -48.2 . . 2977 . C . 2978 . N . 2978 . CA . 2978 . C parsed_2mul 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.3 -22.3 . . 2978 . N . 2978 . CA . 2978 . C . 2979 . N parsed_2mul 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.3 -52.3 . . 2978 . C . 2979 . N . 2979 . CA . 2979 . C parsed_2mul 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.5 -19.5 . . 2979 . N . 2979 . CA . 2979 . C . 2980 . N parsed_2mul 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.6 -46.6 . . 2979 . C . 2980 . N . 2980 . CA . 2980 . C parsed_2mul 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.1 -30.1 . . 2980 . N . 2980 . CA . 2980 . C . 2981 . N parsed_2mul 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.4 -44.4 . . 2980 . C . 2981 . N . 2981 . CA . 2981 . C parsed_2mul 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.9 -26.9 . . 2981 . N . 2981 . CA . 2981 . C . 2982 . N parsed_2mul 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.7 -50.7 . . 2981 . C . 2982 . N . 2982 . CA . 2982 . C parsed_2mul 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.8 -26.8 . . 2982 . N . 2982 . CA . 2982 . C . 2983 . N parsed_2mul 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.7 -50.7 . . 2982 . C . 2983 . N . 2983 . CA . 2983 . C parsed_2mul 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.6 -26.6 . . 2983 . N . 2983 . CA . 2983 . C . 2984 . N parsed_2mul 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.5 -44.5 . . 2983 . C . 2984 . N . 2984 . CA . 2984 . C parsed_2mul 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.5 3.5 . . 2984 . N . 2984 . CA . 2984 . C . 2985 . N parsed_2mul 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.0 -44.0 . . 2984 . C . 2985 . N . 2985 . CA . 2985 . C parsed_2mul 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.9 -20.3 . . 2985 . N . 2985 . CA . 2985 . C . 2986 . N parsed_2mul 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -45.0 . . 2985 . C . 2986 . N . 2986 . CA . 2986 . C parsed_2mul 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.2 -28.2 . . 2986 . N . 2986 . CA . 2986 . C . 2987 . N parsed_2mul 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.4 -42.2 . . 2986 . C . 2987 . N . 2987 . CA . 2987 . C parsed_2mul 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.0 -0.8 . . 2987 . N . 2987 . CA . 2987 . C . 2988 . N parsed_2mul 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.8 -67.6 . . 2987 . C . 2988 . N . 2988 . CA . 2988 . C parsed_2mul 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.8 37.2 . . 2988 . N . 2988 . CA . 2988 . C . 2989 . N parsed_2mul 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.4 -39.0 . . 2989 . C . 2990 . N . 2990 . CA . 2990 . C parsed_2mul 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.3 175.1 . . 2990 . N . 2990 . CA . 2990 . C . 2991 . N parsed_2mul 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.6 -42.6 . . 2990 . C . 2991 . N . 2991 . CA . 2991 . C parsed_2mul 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.9 175.9 . . 2991 . N . 2991 . CA . 2991 . C . 2992 . N parsed_2mul 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.6 -59.6 . . 2993 . C . 2994 . N . 2994 . CA . 2994 . C parsed_2mul 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 62.5 182.5 . . 2994 . N . 2994 . CA . 2994 . C . 2995 . N parsed_2mul 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.9 -40.1 . . 2994 . C . 2995 . N . 2995 . CA . 2995 . C parsed_2mul 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.4 167.4 . . 2995 . N . 2995 . CA . 2995 . C . 2996 . N parsed_2mul 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.7 -24.7 . . 2999 . C . 3000 . N . 3000 . CA . 3000 . C parsed_2mul 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 75.6 182.6 . . 3000 . N . 3000 . CA . 3000 . C . 3001 . N parsed_2mul 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.3 -64.1 . . 3000 . C . 3001 . N . 3001 . CA . 3001 . C parsed_2mul 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 79.9 176.5 . . 3001 . N . 3001 . CA . 3001 . C . 3002 . N parsed_2mul 1
stop_
save_
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