Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
281743 | 2kqt RC | 16612 | cing | 2-parsed | STAR | entry | full | 28 |
data_2kqt_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kqt
_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_2kqt 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kqt
_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 2kqt "Master copy" parsed_2kqt
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kqt
_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 2kqt.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kqt 1
1 2kqt.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 8 parsed_2kqt 1
1 2kqt.mr . . XPLOR/CNS 3 distance "general distance" simple 20 parsed_2kqt 1
1 2kqt.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kqt 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_2kqt
_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 TRANSPORT PROTEIN 18-NOV-09 2KQT
*TITLE SOLID-STATE NMR STRUCTURE OF THE M2 TRANSMEMBRANE PEPTIDE OF
*TITLE 2 THE INFLUENZA A VIRUS IN DMPC LIPID BILAYERS BOUND TO
*TITLE 3 DEUTERATED AMANTADINE
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: M2 PROTEIN;
*COMPND 3 CHAIN: A, B, C, D;
*COMPND 4 FRAGMENT: RESIDUES 22-46;
*COMPND 5 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 OTHER_DETAILS: SOLID-PHASE SYNTHESIS
*KEYWDS INFLUENZA, TRANSMEMBRANE, TETRAMER, AMANTADINE, REDOR
*EXPDTA SOLID-STATE NMR
*NUMMDL 17
*AUTHOR S.D.CADY, K.SCHMIDT-ROHR, J.WANG, C.S.SOTO, W.F.DEGRADO,
*AUTHOR 2 M.HONG
*REVDAT 1 09-FEB-10 2KQT 0
;
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2kqt
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 154.0 162.0 . a 27 . n a 27 . ca a 27 . cb a 27 . cg1 parsed_2kqt 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 168.0 . a 28 . n a 28 . ca a 28 . cb a 28 . cg1 parsed_2kqt 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 154.0 162.0 . b 27 . n b 27 . ca b 27 . cb b 27 . cg1 parsed_2kqt 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 168.0 . b 28 . n b 28 . ca b 28 . cb b 28 . cg1 parsed_2kqt 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 154.0 162.0 . c 27 . n c 27 . ca c 27 . cb c 27 . cg1 parsed_2kqt 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 168.0 . c 28 . n c 28 . ca c 28 . cb c 28 . cg1 parsed_2kqt 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 154.0 162.0 . d 27 . n d 27 . ca d 27 . cb d 27 . cg1 parsed_2kqt 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 168.0 . d 28 . n d 28 . ca d 28 . cb d 28 . cg1 parsed_2kqt 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
;
! chi1 angle restraints
! 27
;
1 1 2 6 parsed_2kqt 1
2 "! 28" 5 1 5 6 parsed_2kqt 1
3 "! 27" 8 1 8 6 parsed_2kqt 1
4 "! 28" 11 1 11 6 parsed_2kqt 1
5 "! 27" 14 1 14 6 parsed_2kqt 1
6 "! 28" 17 1 17 6 parsed_2kqt 1
7 "! 27" 20 1 20 6 parsed_2kqt 1
8 "! 28" 23 1 23 6 parsed_2kqt 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2kqt
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "general distance"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_2kqt 1
2 1 . . . parsed_2kqt 1
3 1 . . . parsed_2kqt 1
4 1 . . . parsed_2kqt 1
5 1 . . . parsed_2kqt 1
6 1 . . . parsed_2kqt 1
7 1 . . . parsed_2kqt 1
8 1 . . . parsed_2kqt 1
9 1 . . . parsed_2kqt 1
10 1 . . . parsed_2kqt 1
11 1 . . . parsed_2kqt 1
12 1 . . . parsed_2kqt 1
13 1 . . . parsed_2kqt 1
14 1 . . . parsed_2kqt 1
15 1 . . . parsed_2kqt 1
16 1 . . . parsed_2kqt 1
17 1 . . . parsed_2kqt 1
18 1 . . . parsed_2kqt 1
19 1 . . . parsed_2kqt 1
20 1 . . . parsed_2kqt 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . a 27 . CG1 parsed_2kqt 1
1 1 2 . . . . . . . . a 31 . CA parsed_2kqt 1
2 1 1 . . . . . . . . a 31 . CA parsed_2kqt 1
2 1 2 . . . . . . . . a 34 . CA parsed_2kqt 1
3 1 1 . . . . . . . . a 27 . CG1 parsed_2kqt 1
3 1 2 . . . . . . . . a 34 . CA parsed_2kqt 1
4 1 1 . . . . . . . . b 27 . CG1 parsed_2kqt 1
4 1 2 . . . . . . . . b 31 . CA parsed_2kqt 1
5 1 1 . . . . . . . . b 31 . CA parsed_2kqt 1
5 1 2 . . . . . . . . b 34 . CA parsed_2kqt 1
6 1 1 . . . . . . . . b 27 . CG1 parsed_2kqt 1
6 1 2 . . . . . . . . b 34 . CA parsed_2kqt 1
7 1 1 . . . . . . . . c 27 . CG1 parsed_2kqt 1
7 1 2 . . . . . . . . c 31 . CA parsed_2kqt 1
8 1 1 . . . . . . . . c 31 . CA parsed_2kqt 1
8 1 2 . . . . . . . . c 34 . CA parsed_2kqt 1
9 1 1 . . . . . . . . c 27 . CG1 parsed_2kqt 1
9 1 2 . . . . . . . . c 34 . CA parsed_2kqt 1
10 1 1 . . . . . . . . d 27 . CG1 parsed_2kqt 1
10 1 2 . . . . . . . . d 31 . CA parsed_2kqt 1
11 1 1 . . . . . . . . d 31 . CA parsed_2kqt 1
11 1 2 . . . . . . . . d 34 . CA parsed_2kqt 1
12 1 1 . . . . . . . . d 27 . CG1 parsed_2kqt 1
12 1 2 . . . . . . . . d 34 . CA parsed_2kqt 1
13 1 1 . . . . . . . . a 27 . CG1 parsed_2kqt 1
13 1 2 . . . . . . . . c 27 . CG1 parsed_2kqt 1
14 1 1 . . . . . . . . a 31 . CA parsed_2kqt 1
14 1 2 . . . . . . . . c 31 . CA parsed_2kqt 1
15 1 1 . . . . . . . . a 34 . CA parsed_2kqt 1
15 1 2 . . . . . . . . c 34 . CA parsed_2kqt 1
16 1 1 . . . . . . . . a 41 . Hz3 parsed_2kqt 1
16 1 2 . . . . . . . . c 41 . Hz3 parsed_2kqt 1
17 1 1 . . . . . . . . b 27 . CG1 parsed_2kqt 1
17 1 2 . . . . . . . . d 27 . CG1 parsed_2kqt 1
18 1 1 . . . . . . . . b 31 . CA parsed_2kqt 1
18 1 2 . . . . . . . . d 31 . CA parsed_2kqt 1
19 1 1 . . . . . . . . b 34 . CA parsed_2kqt 1
19 1 2 . . . . . . . . d 34 . CA parsed_2kqt 1
20 1 1 . . . . . . . . b 41 . Hz3 parsed_2kqt 1
20 1 2 . . . . . . . . d 41 . Hz3 parsed_2kqt 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 5.3 5.0 5.8 parsed_2kqt 1
2 1 . . . . . 4.9 4.4 5.4 parsed_2kqt 1
3 1 . . . . . 10.2 9.2 11.2 parsed_2kqt 1
4 1 . . . . . 5.3 5.0 5.8 parsed_2kqt 1
5 1 . . . . . 4.9 4.4 5.4 parsed_2kqt 1
6 1 . . . . . 10.2 9.2 11.2 parsed_2kqt 1
7 1 . . . . . 5.3 5.0 5.8 parsed_2kqt 1
8 1 . . . . . 4.9 4.4 5.4 parsed_2kqt 1
9 1 . . . . . 10.2 9.2 11.2 parsed_2kqt 1
10 1 . . . . . 5.3 5.0 5.8 parsed_2kqt 1
11 1 . . . . . 4.9 4.4 5.4 parsed_2kqt 1
12 1 . . . . . 10.2 9.2 11.2 parsed_2kqt 1
13 1 . . . . . 7.6 7.1 8.1 parsed_2kqt 1
14 1 . . . . . 11.8 11.3 12.6 parsed_2kqt 1
15 1 . . . . . 9.8 9.3 10.3 parsed_2kqt 1
16 1 . . . . . 16.5 15.7 17.3 parsed_2kqt 1
17 1 . . . . . 7.6 7.1 8.1 parsed_2kqt 1
18 1 . . . . . 11.8 11.3 12.6 parsed_2kqt 1
19 1 . . . . . 9.8 9.3 10.3 parsed_2kqt 1
20 1 . . . . . 16.5 15.7 17.3 parsed_2kqt 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1
;
! The intra-subunit distances below are the vertical distances
! along the Z-axis, which is the channel axis, and not actual
! inter-atomic distances.
;
1 1 3 29 parsed_2kqt 1
stop_
save_