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 | subtype | subsubtype |
|
|
588736 |
2ruy   |
11478 | cing | 2-parsed | STAR | distance | general distance | simple |
data_2ruy_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ruy
_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_2ruy 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ruy
_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 2ruy "Master copy" parsed_2ruy
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ruy
_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 2ruy.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ruy 1
1 2ruy.mr . . AMBER 2 stereochemistry chirality "Not applicable" 0 parsed_2ruy 1
1 2ruy.mr . . AMBER 3 unknown "Not applicable" "Not applicable" 0 parsed_2ruy 1
1 2ruy.mr . . AMBER 4 distance NOE simple 0 parsed_2ruy 1
1 2ruy.mr . . AMBER 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2ruy 1
1 2ruy.mr . . XPLOR/CNS 6 distance "general distance" simple 0 parsed_2ruy 1
1 2ruy.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ruy 1
stop_
save_
save_CNS/XPLOR_distance_constraints_6
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2ruy
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "general distance"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 6
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1
;
#
# 12 CYM SG 15 CYM SG 3.56 3.96
&rst
ixpk= 0, nxpk= 0, iat= 153, 191, r1= 3.06, r2= 3.56, r3= 3.96, r4= 4.46,
rk2=1000, rk3=1000, ir6=1, ialtd=0,
&end
#
# 12 CYM SG 28 HID NE2 3.32 3.72
&rst
ixpk= 0, nxpk= 0, iat= 153, 411, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22, &end
#
# 12 CYM SG 33 HID NE2 3.32 3.72
&rst
ixpk= 0, nxpk= 0, iat= 153, 502, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22, &end
#
# 12 CYM CB 38 Zn Zn 3.25 3.51
&rst
ixpk= 0, nxpk= 0, iat= 150, 571, r1= 2.75, r2= 3.25, r3= 3.51, r4= 4.01, &end
#
# 12 CYM SG 38 Zn Zn 2.19 2.39
&rst
ixpk= 0, nxpk= 0, iat= 153, 571, r1= 1.69, r2= 2.19, r3= 2.39, r4= 2.89, &end
#
# 15 CYM SG 28 HID NE2 3.32 3.72
&rst
ixpk= 0, nxpk= 0, iat= 191, 411, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22, &end
#
# 15 CYM SG 33 HID NE2 3.32 3.72
&rst
ixpk= 0, nxpk= 0, iat= 191, 502, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22, &end
#
# 15 CYM CB 38 Zn Zn 3.25 3.51
&rst
ixpk= 0, nxpk= 0, iat= 188, 571, r1= 2.75, r2= 3.25, r3= 3.51, r4= 4.01, &end
#
# 15 CYM SG 38 Zn Zn 2.19 2.39
&rst
ixpk= 0, nxpk= 0, iat= 191, 571, r1= 1.69, r2= 2.19, r3= 2.39, r4= 2.89, &end
#
# 28 HID NE2 33 HID NE2 3.00 3.60
&rst
ixpk= 0, nxpk= 0, iat= 411, 502, r1= 2.50, r2= 3.00, r3= 3.60, r4= 4.10, &end
#
# 28 HID NE2 38 Zn Zn 1.90 2.10
&rst
ixpk= 0, nxpk= 0, iat= 411, 571, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60, &end
#
# 33 HID NE2 38 Zn Zn 1.90 2.10
&rst
ixpk= 0, nxpk= 0, iat= 502, 571, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60, &end
;
1 1 50 80 parsed_2ruy 1
stop_
save_
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