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 |
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|
40544 |
1vkt   |
1760 | cing | 2-parsed | STAR | comment |
data_1vkt_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1vkt
_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_1vkt 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1vkt
_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 1vkt "Master copy" parsed_1vkt
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1vkt
_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 1vkt.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1vkt 1
1 1vkt.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1vkt 1
1 1vkt.mr . . DISCOVER 3 distance "general distance" simple 0 parsed_1vkt 1
1 1vkt.mr . . DISCOVER 4 distance "hydrogen bond" simple 0 parsed_1vkt 1
1 1vkt.mr . . DISCOVER 5 distance NOE simple 0 parsed_1vkt 1
1 1vkt.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1vkt 1
1 1vkt.mr . . DISCOVER 7 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1vkt 1
1 1vkt.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1vkt 1
stop_
save_
save_MR_file_comment_2
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1vkt
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 2
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
!BIOSYM restraint 1
!
#remote_prochiral_center
1:VAL_3:HG1* 1:VAL_3:HG2* 1:VAL_3:CG1 1:VAL_3:CG2 1:VAL_3:CB
1:LEU_13:HD1* 1:LEU_13:HD2* 1:LEU_13:CD1 1:LEU_13:CD2 1:LEU_13:CG
1:VAL_39:HG1* 1:VAL_39:HG2* 1:VAL_39:CG1 1:VAL_39:CG2 1:VAL_39:CB
1:LEU_16:HD1* 1:LEU_16:HD2* 1:LEU_16:CD1 1:LEU_16:CD2 1:LEU_16:CG
1:LEU_32:HD1* 1:LEU_32:HD2* 1:LEU_32:CD1 1:LEU_32:CD2 1:LEU_32:CG
1:LEU_36:HD1* 1:LEU_36:HD2* 1:LEU_36:CD1 1:LEU_36:CD2 1:LEU_36:CG
1:LEU_27:HD1* 1:LEU_27:HD2* 1:LEU_27:CD1 1:LEU_27:CD2 1:LEU_27:CG
1:VAL_33:HG1* 1:VAL_33:HG2* 1:VAL_33:CG1 1:VAL_33:CG2 1:VAL_33:CB
1:LEU_38:HD1* 1:LEU_38:HD2* 1:LEU_38:CD1 1:LEU_38:CD2 1:LEU_38:CG
!
#chiral
1:ILE_2:CA S
1:VAL_3:CA S
1:GLU-_4:CA S
1:GLN_5:CA S
1:SER_6:CA R
1:CYS_7:CA R
1:THR_8:CA S
1:SER_9:CA S
1:ILE_10:CA S
1:SER_11:CA S
1:SER_12:CA S
1:LEU_13:CA S
1:TYR_14:CA S
1:GLN_15:CA S
1:LEU_16:CA S
1:GLU-_17:CA S
1:ASN_18:CA S
1:TYR_19:CA S
1:CYS_20:CA R
1:ASNC_21:CA S
1:PHEN_22:CA S
1:VAL_23:CA S
1:ASN_24:CA S
1:GLN_25:CA S
1:HIS_26:CA S
1:LEU_27:CA S
1:CYS_28:CA R
1:SER_30:CA S
1:ASP-_31:CA S
1:LEU_32:CA S
1:VAL_33:CA S
1:GLU-_34:CA S
1:ALA_35:CA S
1:LEU_36:CA S
1:TYR_37:CA S
1:LEU_38:CA S
1:VAL_39:CA S
1:CYS_40:CA R
1:GLU-_42:CA S
1:ARG+_43:CA S
1:PHE_45:CA S
1:PHE_46:CA S
1:TYR_47:CA S
1:THR_48:CA S
1:LYS+_49:CA S
1:PRO_50:CA S
1:THRC_51:CA S
1:ILE_2:CB R
1:ILE_10:CB R
1:THR_8:CB R
1:THR_48:CB R
!
;
save_
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