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 |
|
|
594178 |
2n01   |
25512 | cing | 2-parsed | STAR | distance | NOE | simple |
data_2n01_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2n01
_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_2n01 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2n01
_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 2n01 "Master copy" parsed_2n01
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2n01
_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 2n01.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2n01 1
1 2n01.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 78 parsed_2n01 1
1 2n01.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 140 parsed_2n01 1
1 2n01.mr . . XPLOR/CNS 4 distance NOE simple 0 parsed_2n01 1
1 2n01.mr . . XPLOR/CNS 5 distance NOE simple 0 parsed_2n01 1
1 2n01.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2n01 1
1 2n01.mr . . XPLOR/CNS 7 distance "hydrogen bond" simple 0 parsed_2n01 1
1 2n01.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2n01 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2n01
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_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
;
34 TRP HZ3 170 ALA H 4.02 #peak 351
36 HIS HA 169 TYR H 3.86 #peak 601
37 VAL H 169 TYR H 4.14 #peak 603
35 LYS H 169 TYR H 3.39 #peak 604
37 VAL QG1 169 TYR H 3.67 #peak 606
# 35 LYS HG3 169 TYR H 3.96 #peak 607
35 LYS HB3 169 TYR H 4.35 #peak 608
30 PHE HB2 248 GLY H 3.91 #peak 712
30 PHE HB3 248 GLY H 4.00 #peak 713
30 PHE QD 248 GLY H 4.15 #peak 727
37 VAL QG1 168 ASP HA 3.71 #peak 780
37 VAL H 168 ASP HA 3.52 #peak 792
36 HIS HA 168 ASP HA 3.30 #peak 809
34 TRP HZ3 169 TYR HA 4.00 #peak 1411
34 TRP HZ3 168 ASP HA 4.47 #peak 2887
34 TRP HZ3 168 ASP HB3 4.13 #peak 2989
34 TRP HZ3 168 ASP HB2 3.90 #peak 2991
34 TRP HA 170 ALA QB 4.30 #peak 3266
30 PHE QD 170 ALA QB 3.60 #peak 3269
34 TRP HZ3 170 ALA QB 4.27 #peak 3272
37 VAL H 168 ASP HA 3.18 #peak 92
35 LYS H 169 TYR H 3.29 #peak 109
36 HIS HA 168 ASP HA 3.14 #peak 464
37 VAL QG1 168 ASP HA 3.45 #peak 769
34 TRP HZ2 170 ALA QB 3.99 #peak 944
34 TRP HD1 170 ALA QB 4.01 #peak 945
36 HIS HA 169 TYR H 4.23 #peak 973
37 VAL H 169 TYR H 4.12 #peak 991
35 LYS H 170 ALA QB 4.00 #peak 993
33 ARG H 170 ALA QB 4.13 #peak 994
34 TRP H 170 ALA QB 4.21 #peak 995
37 VAL QG1 169 TYR H 3.65 #peak 1037
39 HIS H 184 TYR QD 4.70 #peak 1107
;
1 2 33 58 parsed_2n01 1
stop_
save_
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