NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
39310 |
1sxm   |
cing | 2-parsed | STAR | entry | full | 44 |
data_1sxm_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1sxm
_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_1sxm 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1sxm
_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 1sxm "Master copy" parsed_1sxm
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1sxm
_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 1sxm.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1sxm 1
1 1sxm.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 44 parsed_1sxm 1
1 1sxm.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1sxm 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1sxm
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
*HEADER TOXIN 07-SEP-95 1SXM
*TITLE SCORPION TOXIN (NOXIUSTOXIN) WITH HIGH AFFINITY FOR
*TITLE 2 VOLTAGE DEPENDENT POTASSIUM CHANNEL AND LOW AFFINITY FOR
*TITLE 3 CALCIUM DEPENDENT POTASSIUM CHANNEL (NMR AT 20 DEGREES,
*TITLE 4 PH=3.5, 39 STRUCTURES)
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: NOXIUSTOXIN;
*COMPND 3 CHAIN: NULL
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: CENTRUROIDES NOXIUS HOFFMANN;
*SOURCE 3 ORGANISM_COMMON: SCORPION
*EXPDTA NMR, 39 STRUCTURES
*AUTHOR M.DAUPLAIS,B.GILQUIN,L.D.POSSANI,G.GURROLA-BRIONES,
*AUTHOR 2 C.ROUMESTAND,A.MENEZ
*REVDAT 1 29-JAN-96 1SXM 0
--------------------------------------------------------------------------------
;
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1sxm
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -105.0 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_1sxm 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_1sxm 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -105.0 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_1sxm 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_1sxm 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_1sxm 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.0 -55.0 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_1sxm 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.0 -71.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_1sxm 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -95.0 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_1sxm 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.0 -56.0 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_1sxm 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.0 -57.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_1sxm 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.0 -55.0 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_1sxm 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.0 -55.0 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_1sxm 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.0 -57.0 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_1sxm 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.0 -71.0 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_1sxm 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.0 -88.0 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_1sxm 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_1sxm 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -86.0 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_1sxm 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.0 -86.0 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_1sxm 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_1sxm 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.0 -86.0 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_1sxm 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -105.0 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_1sxm 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_1sxm 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.0 -86.0 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_1sxm 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_1sxm 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.0 225.0 . . 5 . N . 5 . CA . 5 . CB . 5 . CG1 parsed_1sxm 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -15.0 . . 6 . N . 6 . CA . 6 . CB . 6 . CG parsed_1sxm 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.0 105.0 . . 7 . N . 7 . CA . 7 . CB . 7 . SG parsed_1sxm 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.0 105.0 . . 9 . N . 9 . CA . 9 . CB . 9 . OG parsed_1sxm 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.0 225.0 . . 12 . N . 12 . CA . 12 . CB . 12 . CG parsed_1sxm 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.0 225.0 . . 13 . N . 13 . CA . 13 . CB . 13 . SG parsed_1sxm 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -15.0 . . 15 . N . 15 . CA . 15 . CB . 15 . CG parsed_1sxm 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.0 225.0 . . 19 . N . 19 . CA . 19 . CB . 19 . CG parsed_1sxm 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -15.0 . . 20 . N . 20 . CA . 20 . CB . 20 . CG parsed_1sxm 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -15.0 . . 21 . N . 21 . CA . 21 . CB . 21 . CG parsed_1sxm 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.0 225.0 . . 24 . N . 24 . CA . 24 . CB . 24 . OG parsed_1sxm 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -15.0 . . 28 . N . 28 . CA . 28 . CB . 28 . CG parsed_1sxm 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.0 225.0 . . 29 . N . 29 . CA . 29 . CB . 29 . SG parsed_1sxm 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -15.0 . . 30 . N . 30 . CA . 30 . CB . 30 . CG parsed_1sxm 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -15.0 . . 33 . N . 33 . CA . 33 . CB . 33 . CG parsed_1sxm 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -15.0 . . 35 . N . 35 . CA . 35 . CB . 35 . CG parsed_1sxm 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -15.0 . . 36 . N . 36 . CA . 36 . CB . 36 . SG parsed_1sxm 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -15.0 . . 37 . N . 37 . CA . 37 . CB . 37 . CG parsed_1sxm 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -15.0 . . 38 . N . 38 . CA . 38 . CB . 38 . CG parsed_1sxm 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -15.0 . . 39 . N . 39 . CA . 39 . CB . 39 . CG parsed_1sxm 1
stop_
save_
Contact the webmaster for help, if required. Monday, July 8, 2024 8:48:59 AM GMT (wattos1)