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 |
|
|
605423 |
2nao   |
26692 | cing | 2-parsed | STAR | distance | hydrogen bond | simple |
data_2nao_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2nao
_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_2nao 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2nao
_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 2nao "Master copy" parsed_2nao
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2nao
_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 2nao.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2nao 1
1 2nao.mr . . DYANA/DIANA 2 distance NOE simple 0 parsed_2nao 1
1 2nao.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 0 parsed_2nao 1
1 2nao.mr . . DYANA/DIANA 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2nao 1
1 2nao.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2nao 1
stop_
save_
save_DYANA/DIANA_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2nao
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_Distance_constraint_list.Details "Generated by Wattos"
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 "Hydrogen bond upper distance bounds" 1 1 1 37 parsed_2nao 1
stop_
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
;
A2 ALA N B1 ASP O 3.00 1.00E+01
A2 ALA H B1 ASP O 2.00 1.00E+01
A2 ALA O B3 GLU N 3.00 1.00E+01
A2 ALA O B3 GLU H 2.00 1.00E+01
A4 PHE N B3 GLU O 3.00 1.00E+01
A4 PHE H B3 GLU O 2.00 1.00E+01
A4 PHE O B5 ARG N 3.00 1.00E+01
A4 PHE O B5 ARG H 2.00 1.00E+01
A6 HIS N B5 ARG O 3.00 1.00E+01
A6 HIS H B5 ARG O 2.00 1.00E+01
A15 GLN N B14 HIS O 3.00 1.00E+01
A15 GLN H B14 HIS O 2.00 1.00E+01
A15 GLN O B16 LYS N 3.00 1.00E+01
A15 GLN O B16 LYS H 2.00 1.00E+01
A17 LEU N B16 LYS O 3.00 1.00E+01
A17 LEU H B16 LYS O 2.00 1.00E+01
A17 LEU O B18 VAL N 3.00 1.00E+01
A17 LEU O B18 VAL H 2.00 1.00E+01
A27 ASN N B26 SER O 3.00 1.00E+01
A27 ASN H B26 SER O 2.00 1.00E+01
A27 ASN O B28 LYS N 3.00 1.00E+01
A27 ASN O B28 LYS H 2.00 1.00E+01
A30 ALA O B31 ILE N 3.00 1.00E+01
A30 ALA O B31 ILE H 2.00 1.00E+01
A32 ILE N B31 ILE O 3.00 1.00E+01
A32 ILE H B31 ILE O 2.00 1.00E+01
A40 VAL N B39 VAL O 3.00 1.00E+01
A40 VAL H B39 VAL O 2.00 1.00E+01
A40 VAL O B41 ILE N 3.00 1.00E+01
A40 VAL O B41 ILE H 2.00 1.00E+01
A42 ALA N B41 ILE O 3.00 1.00E+01
A42 ALA H B41 ILE O 2.00 1.00E+01
B2 ALA N C1 ASP O 3.00 1.00E+01
B2 ALA H C1 ASP O 2.00 1.00E+01
B2 ALA O C3 GLU N 3.00 1.00E+01
B2 ALA O C3 GLU H 2.00 1.00E+01
B4 PHE N C3 GLU O 3.00 1.00E+01
B4 PHE H C3 GLU O 2.00 1.00E+01
B4 PHE O C5 ARG N 3.00 1.00E+01
B4 PHE O C5 ARG H 2.00 1.00E+01
B6 HIS N C5 ARG O 3.00 1.00E+01
B6 HIS H C5 ARG O 2.00 1.00E+01
B15 GLN N C14 HIS O 3.00 1.00E+01
B15 GLN H C14 HIS O 2.00 1.00E+01
B15 GLN O C16 LYS N 3.00 1.00E+01
B15 GLN O C16 LYS H 2.00 1.00E+01
B17 LEU N C16 LYS O 3.00 1.00E+01
B17 LEU H C16 LYS O 2.00 1.00E+01
B17 LEU O C18 VAL N 3.00 1.00E+01
B17 LEU O C18 VAL H 2.00 1.00E+01
B27 ASN N C26 SER O 3.00 1.00E+01
B27 ASN H C26 SER O 2.00 1.00E+01
B27 ASN O C28 LYS N 3.00 1.00E+01
B27 ASN O C28 LYS H 2.00 1.00E+01
B30 ALA O C31 ILE N 3.00 1.00E+01
B30 ALA O C31 ILE H 2.00 1.00E+01
B32 ILE N C31 ILE O 3.00 1.00E+01
B32 ILE H C31 ILE O 2.00 1.00E+01
B40 VAL N C39 VAL O 3.00 1.00E+01
B40 VAL H C39 VAL O 2.00 1.00E+01
B40 VAL O C41 ILE N 3.00 1.00E+01
B40 VAL O C41 ILE H 2.00 1.00E+01
B42 ALA N C41 ILE O 3.00 1.00E+01
B42 ALA H C41 ILE O 2.00 1.00E+01
D2 ALA N E1 ASP O 3.00 1.00E+01
D2 ALA H E1 ASP O 2.00 1.00E+01
D2 ALA O E3 GLU N 3.00 1.00E+01
D2 ALA O E3 GLU H 2.00 1.00E+01
D4 PHE N E3 GLU O 3.00 1.00E+01
D4 PHE H E3 GLU O 2.00 1.00E+01
D4 PHE O E5 ARG N 3.00 1.00E+01
D4 PHE O E5 ARG H 2.00 1.00E+01
D6 HIS N E5 ARG O 3.00 1.00E+01
D6 HIS H E5 ARG O 2.00 1.00E+01
D15 GLN N E14 HIS O 3.00 1.00E+01
D15 GLN H E14 HIS O 2.00 1.00E+01
D15 GLN O E16 LYS N 3.00 1.00E+01
D15 GLN O E16 LYS H 2.00 1.00E+01
D17 LEU N E16 LYS O 3.00 1.00E+01
D17 LEU H E16 LYS O 2.00 1.00E+01
D17 LEU O E18 VAL N 3.00 1.00E+01
D17 LEU O E18 VAL H 2.00 1.00E+01
D27 ASN N E26 SER O 3.00 1.00E+01
D27 ASN H E26 SER O 2.00 1.00E+01
D27 ASN O E28 LYS N 3.00 1.00E+01
D27 ASN O E28 LYS H 2.00 1.00E+01
D30 ALA O E31 ILE N 3.00 1.00E+01
D30 ALA O E31 ILE H 2.00 1.00E+01
D32 ILE N E31 ILE O 3.00 1.00E+01
D32 ILE H E31 ILE O 2.00 1.00E+01
D40 VAL N E39 VAL O 3.00 1.00E+01
D40 VAL H E39 VAL O 2.00 1.00E+01
D40 VAL O E41 ILE N 3.00 1.00E+01
D40 VAL O E41 ILE H 2.00 1.00E+01
D42 ALA N E41 ILE O 3.00 1.00E+01
D42 ALA H E41 ILE O 2.00 1.00E+01
E2 ALA N F1 ASP O 3.00 1.00E+01
E2 ALA H F1 ASP O 2.00 1.00E+01
E2 ALA O F3 GLU N 3.00 1.00E+01
E2 ALA O F3 GLU H 2.00 1.00E+01
E4 PHE N F3 GLU O 3.00 1.00E+01
E4 PHE H F3 GLU O 2.00 1.00E+01
E4 PHE O F5 ARG N 3.00 1.00E+01
E4 PHE O F5 ARG H 2.00 1.00E+01
E6 HIS N F5 ARG O 3.00 1.00E+01
E6 HIS H F5 ARG O 2.00 1.00E+01
E15 GLN N F14 HIS O 3.00 1.00E+01
E15 GLN H F14 HIS O 2.00 1.00E+01
E15 GLN O F16 LYS N 3.00 1.00E+01
E15 GLN O F16 LYS H 2.00 1.00E+01
E17 LEU N F16 LYS O 3.00 1.00E+01
E17 LEU H F16 LYS O 2.00 1.00E+01
E17 LEU O F18 VAL N 3.00 1.00E+01
E17 LEU O F18 VAL H 2.00 1.00E+01
E27 ASN N F26 SER O 3.00 1.00E+01
E27 ASN H F26 SER O 2.00 1.00E+01
E27 ASN O F28 LYS N 3.00 1.00E+01
E27 ASN O F28 LYS H 2.00 1.00E+01
E30 ALA O F31 ILE N 3.00 1.00E+01
E30 ALA O F31 ILE H 2.00 1.00E+01
E32 ILE N F31 ILE O 3.00 1.00E+01
E32 ILE H F31 ILE O 2.00 1.00E+01
E40 VAL N F39 VAL O 3.00 1.00E+01
E40 VAL H F39 VAL O 2.00 1.00E+01
E40 VAL O F41 ILE N 3.00 1.00E+01
E40 VAL O F41 ILE H 2.00 1.00E+01
E42 ALA N F41 ILE O 3.00 1.00E+01
E42 ALA H F41 ILE O 2.00 1.00E+01
# Hydrogen bond lower distance bounds
A2 ALA N B1 ASP O 2.70 1.00E+01
A2 ALA H B1 ASP O 1.80 1.00E+01
A2 ALA O B3 GLU N 2.70 1.00E+01
A2 ALA O B3 GLU H 1.80 1.00E+01
A4 PHE N B3 GLU O 2.70 1.00E+01
A4 PHE H B3 GLU O 1.80 1.00E+01
A4 PHE O B5 ARG N 2.70 1.00E+01
A4 PHE O B5 ARG H 1.80 1.00E+01
A6 HIS N B5 ARG O 2.70 1.00E+01
A6 HIS H B5 ARG O 1.80 1.00E+01
A15 GLN N B14 HIS O 2.70 1.00E+01
A15 GLN H B14 HIS O 1.80 1.00E+01
A15 GLN O B16 LYS N 2.70 1.00E+01
A15 GLN O B16 LYS H 1.80 1.00E+01
A17 LEU N B16 LYS O 2.70 1.00E+01
A17 LEU H B16 LYS O 1.80 1.00E+01
A17 LEU O B18 VAL N 2.70 1.00E+01
A17 LEU O B18 VAL H 1.80 1.00E+01
A27 ASN N B26 SER O 2.70 1.00E+01
A27 ASN H B26 SER O 1.80 1.00E+01
A27 ASN O B28 LYS N 2.70 1.00E+01
A27 ASN O B28 LYS H 1.80 1.00E+01
A30 ALA O B31 ILE N 2.70 1.00E+01
A30 ALA O B31 ILE H 1.80 1.00E+01
A32 ILE N B31 ILE O 2.70 1.00E+01
A32 ILE H B31 ILE O 1.80 1.00E+01
A40 VAL N B39 VAL O 2.70 1.00E+01
A40 VAL H B39 VAL O 1.80 1.00E+01
A40 VAL O B41 ILE N 2.70 1.00E+01
A40 VAL O B41 ILE H 1.80 1.00E+01
A42 ALA N B41 ILE O 2.70 1.00E+01
A42 ALA H B41 ILE O 1.80 1.00E+01
B2 ALA N C1 ASP O 2.70 1.00E+01
B2 ALA H C1 ASP O 1.80 1.00E+01
B2 ALA O C3 GLU N 2.70 1.00E+01
B2 ALA O C3 GLU H 1.80 1.00E+01
B4 PHE N C3 GLU O 2.70 1.00E+01
B4 PHE H C3 GLU O 1.80 1.00E+01
B4 PHE O C5 ARG N 2.70 1.00E+01
B4 PHE O C5 ARG H 1.80 1.00E+01
B6 HIS N C5 ARG O 2.70 1.00E+01
B6 HIS H C5 ARG O 1.80 1.00E+01
B15 GLN N C14 HIS O 2.70 1.00E+01
B15 GLN H C14 HIS O 1.80 1.00E+01
B15 GLN O C16 LYS N 2.70 1.00E+01
B15 GLN O C16 LYS H 1.80 1.00E+01
B17 LEU N C16 LYS O 2.70 1.00E+01
B17 LEU H C16 LYS O 1.80 1.00E+01
B17 LEU O C18 VAL N 2.70 1.00E+01
B17 LEU O C18 VAL H 1.80 1.00E+01
B27 ASN N C26 SER O 2.70 1.00E+01
B27 ASN H C26 SER O 1.80 1.00E+01
B27 ASN O C28 LYS N 2.70 1.00E+01
B27 ASN O C28 LYS H 1.80 1.00E+01
B30 ALA O C31 ILE N 2.70 1.00E+01
B30 ALA O C31 ILE H 1.80 1.00E+01
B32 ILE N C31 ILE O 2.70 1.00E+01
B32 ILE H C31 ILE O 1.80 1.00E+01
B40 VAL N C39 VAL O 2.70 1.00E+01
B40 VAL H C39 VAL O 1.80 1.00E+01
B40 VAL O C41 ILE N 2.70 1.00E+01
B40 VAL O C41 ILE H 1.80 1.00E+01
B42 ALA N C41 ILE O 2.70 1.00E+01
B42 ALA H C41 ILE O 1.80 1.00E+01
D2 ALA N E1 ASP O 2.70 1.00E+01
D2 ALA H E1 ASP O 1.80 1.00E+01
D2 ALA O E3 GLU N 2.70 1.00E+01
D2 ALA O E3 GLU H 1.80 1.00E+01
D4 PHE N E3 GLU O 2.70 1.00E+01
D4 PHE H E3 GLU O 1.80 1.00E+01
D4 PHE O E5 ARG N 2.70 1.00E+01
D4 PHE O E5 ARG H 1.80 1.00E+01
D6 HIS N E5 ARG O 2.70 1.00E+01
D6 HIS H E5 ARG O 1.80 1.00E+01
D15 GLN N E14 HIS O 2.70 1.00E+01
D15 GLN H E14 HIS O 1.80 1.00E+01
D15 GLN O E16 LYS N 2.70 1.00E+01
D15 GLN O E16 LYS H 1.80 1.00E+01
D17 LEU N E16 LYS O 2.70 1.00E+01
D17 LEU H E16 LYS O 1.80 1.00E+01
D17 LEU O E18 VAL N 2.70 1.00E+01
D17 LEU O E18 VAL H 1.80 1.00E+01
D27 ASN N E26 SER O 2.70 1.00E+01
D27 ASN H E26 SER O 1.80 1.00E+01
D27 ASN O E28 LYS N 2.70 1.00E+01
D27 ASN O E28 LYS H 1.80 1.00E+01
D30 ALA O E31 ILE N 2.70 1.00E+01
D30 ALA O E31 ILE H 1.80 1.00E+01
D32 ILE N E31 ILE O 2.70 1.00E+01
D32 ILE H E31 ILE O 1.80 1.00E+01
D40 VAL N E39 VAL O 2.70 1.00E+01
D40 VAL H E39 VAL O 1.80 1.00E+01
D40 VAL O E41 ILE N 2.70 1.00E+01
D40 VAL O E41 ILE H 1.80 1.00E+01
D42 ALA N E41 ILE O 2.70 1.00E+01
D42 ALA H E41 ILE O 1.80 1.00E+01
E2 ALA N F1 ASP O 2.70 1.00E+01
E2 ALA H F1 ASP O 1.80 1.00E+01
E2 ALA O F3 GLU N 2.70 1.00E+01
E2 ALA O F3 GLU H 1.80 1.00E+01
E4 PHE N F3 GLU O 2.70 1.00E+01
E4 PHE H F3 GLU O 1.80 1.00E+01
E4 PHE O F5 ARG N 2.70 1.00E+01
E4 PHE O F5 ARG H 1.80 1.00E+01
E6 HIS N F5 ARG O 2.70 1.00E+01
E6 HIS H F5 ARG O 1.80 1.00E+01
E15 GLN N F14 HIS O 2.70 1.00E+01
E15 GLN H F14 HIS O 1.80 1.00E+01
E15 GLN O F16 LYS N 2.70 1.00E+01
E15 GLN O F16 LYS H 1.80 1.00E+01
E17 LEU N F16 LYS O 2.70 1.00E+01
E17 LEU H F16 LYS O 1.80 1.00E+01
E17 LEU O F18 VAL N 2.70 1.00E+01
E17 LEU O F18 VAL H 1.80 1.00E+01
E27 ASN N F26 SER O 2.70 1.00E+01
E27 ASN H F26 SER O 1.80 1.00E+01
E27 ASN O F28 LYS N 2.70 1.00E+01
E27 ASN O F28 LYS H 1.80 1.00E+01
E30 ALA O F31 ILE N 2.70 1.00E+01
E30 ALA O F31 ILE H 1.80 1.00E+01
E32 ILE N F31 ILE O 2.70 1.00E+01
E32 ILE H F31 ILE O 1.80 1.00E+01
E40 VAL N F39 VAL O 2.70 1.00E+01
E40 VAL H F39 VAL O 1.80 1.00E+01
E40 VAL O F41 ILE N 2.70 1.00E+01
E40 VAL O F41 ILE H 1.80 1.00E+01
E42 ALA N F41 ILE O 2.70 1.00E+01
E42 ALA H F41 ILE O 1.80 1.00E+01
;
3 2 262 2 parsed_2nao 1
stop_
save_
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