NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
605952 |
5iaz   |
30020 | cing | 2-parsed | STAR | dihedral angle | 75 |
data_5iaz_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5iaz
_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_5iaz 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5iaz
_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 5iaz "Master copy" parsed_5iaz
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5iaz
_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 5iaz.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5iaz 1
1 5iaz.mr . . XPLOR/CNS 2 distance "general distance" simple 12 parsed_5iaz 1
1 5iaz.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 75 parsed_5iaz 1
1 5iaz.mr . . XPLOR/CNS 4 distance NOE simple 0 parsed_5iaz 1
1 5iaz.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5iaz 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5iaz
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 799 . c . 800 . n . 800 . ca . 800 . c parsed_5iaz 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 800 . c . 801 . n . 801 . ca . 801 . c parsed_5iaz 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 801 . c . 802 . n . 802 . ca . 802 . c parsed_5iaz 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 802 . c . 803 . n . 803 . ca . 803 . c parsed_5iaz 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 803 . c . 804 . n . 804 . ca . 804 . c parsed_5iaz 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 730 . c . 731 . n . 731 . ca . 731 . c parsed_5iaz 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 731 . c . 732 . n . 732 . ca . 732 . c parsed_5iaz 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 732 . c . 733 . n . 733 . ca . 733 . c parsed_5iaz 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 733 . c . 734 . n . 734 . ca . 734 . c parsed_5iaz 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 734 . c . 735 . n . 735 . ca . 735 . c parsed_5iaz 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 758 . c . 759 . n . 759 . ca . 759 . c parsed_5iaz 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 759 . c . 760 . n . 760 . ca . 760 . c parsed_5iaz 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 760 . c . 761 . n . 761 . ca . 761 . c parsed_5iaz 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 761 . c . 762 . n . 762 . ca . 762 . c parsed_5iaz 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 762 . c . 763 . n . 763 . ca . 763 . c parsed_5iaz 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 810 . c . 811 . n . 811 . ca . 811 . c parsed_5iaz 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 811 . c . 812 . n . 812 . ca . 812 . c parsed_5iaz 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 812 . c . 813 . n . 813 . ca . 813 . c parsed_5iaz 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 813 . c . 814 . n . 814 . ca . 814 . c parsed_5iaz 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 831 . c . 832 . n . 832 . ca . 832 . c parsed_5iaz 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 832 . c . 833 . n . 833 . ca . 833 . c parsed_5iaz 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 833 . c . 834 . n . 834 . ca . 834 . c parsed_5iaz 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 834 . c . 835 . n . 835 . ca . 835 . c parsed_5iaz 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 835 . c . 836 . n . 836 . ca . 836 . c parsed_5iaz 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 836 . c . 837 . n . 837 . ca . 837 . c parsed_5iaz 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 837 . c . 838 . n . 838 . ca . 838 . c parsed_5iaz 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 838 . c . 839 . n . 839 . ca . 839 . c parsed_5iaz 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 800 . n . 800 . ca . 800 . c . 801 . n parsed_5iaz 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 801 . n . 801 . ca . 801 . c . 802 . n parsed_5iaz 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 802 . n . 802 . ca . 802 . c . 803 . n parsed_5iaz 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 803 . n . 803 . ca . 803 . c . 804 . n parsed_5iaz 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 804 . n . 804 . ca . 804 . c . 805 . n parsed_5iaz 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 731 . n . 731 . ca . 731 . c . 732 . n parsed_5iaz 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 732 . n . 732 . ca . 732 . c . 733 . n parsed_5iaz 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 733 . n . 733 . ca . 733 . c . 734 . n parsed_5iaz 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 734 . n . 734 . ca . 734 . c . 735 . n parsed_5iaz 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 735 . n . 735 . ca . 735 . c . 736 . n parsed_5iaz 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 759 . n . 759 . ca . 759 . c . 760 . n parsed_5iaz 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 760 . n . 760 . ca . 760 . c . 761 . n parsed_5iaz 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 761 . n . 761 . ca . 761 . c . 762 . n parsed_5iaz 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 762 . n . 762 . ca . 762 . c . 763 . n parsed_5iaz 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 763 . n . 763 . ca . 763 . c . 764 . n parsed_5iaz 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 811 . n . 811 . ca . 811 . c . 812 . n parsed_5iaz 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 812 . n . 812 . ca . 812 . c . 813 . n parsed_5iaz 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 813 . n . 813 . ca . 813 . c . 814 . n parsed_5iaz 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 814 . n . 814 . ca . 814 . c . 815 . n parsed_5iaz 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 832 . n . 832 . ca . 832 . c . 833 . n parsed_5iaz 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 833 . n . 833 . ca . 833 . c . 834 . n parsed_5iaz 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 834 . n . 834 . ca . 834 . c . 835 . n parsed_5iaz 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 835 . n . 835 . ca . 835 . c . 836 . n parsed_5iaz 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 836 . n . 836 . ca . 836 . c . 837 . n parsed_5iaz 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 837 . n . 837 . ca . 837 . c . 838 . n parsed_5iaz 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 838 . n . 838 . ca . 838 . c . 839 . n parsed_5iaz 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 839 . n . 839 . ca . 839 . c . 840 . n parsed_5iaz 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 727 . c . 728 . n . 728 . ca . 728 . c parsed_5iaz 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 737 . c . 738 . n . 738 . ca . 738 . c parsed_5iaz 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 748 . c . 749 . n . 749 . ca . 749 . c parsed_5iaz 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 763 . c . 764 . n . 764 . ca . 764 . c parsed_5iaz 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 767 . c . 768 . n . 768 . ca . 768 . c parsed_5iaz 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 768 . c . 769 . n . 769 . ca . 769 . c parsed_5iaz 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 770 . c . 771 . n . 771 . ca . 771 . c parsed_5iaz 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 772 . c . 773 . n . 773 . ca . 773 . c parsed_5iaz 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 773 . c . 774 . n . 774 . ca . 774 . c parsed_5iaz 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 779 . c . 780 . n . 780 . ca . 780 . c parsed_5iaz 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 781 . c . 782 . n . 782 . ca . 782 . c parsed_5iaz 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 783 . c . 784 . n . 784 . ca . 784 . c parsed_5iaz 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 786 . c . 787 . n . 787 . ca . 787 . c parsed_5iaz 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 792 . c . 793 . n . 793 . ca . 793 . c parsed_5iaz 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 796 . c . 797 . n . 797 . ca . 797 . c parsed_5iaz 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 805 . c . 806 . n . 806 . ca . 806 . c parsed_5iaz 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 808 . c . 809 . n . 809 . ca . 809 . c parsed_5iaz 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 820 . c . 821 . n . 821 . ca . 821 . c parsed_5iaz 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 828 . c . 829 . n . 829 . ca . 829 . c parsed_5iaz 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 830 . c . 831 . n . 831 . ca . 831 . c parsed_5iaz 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 839 . c . 840 . n . 840 . ca . 840 . c parsed_5iaz 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "# Restraints file 2: dihed_TANAKA.txt" 1 1 1 37 parsed_5iaz 1
stop_
save_
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