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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570631 |
2m7c   |
19180 | cing | 2-parsed | STAR | comment |
data_2m7c_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2m7c
_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_2m7c 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2m7c
_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 2m7c "Master copy" parsed_2m7c
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2m7c
_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 2m7c.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2m7c 1
1 2m7c.mr . . XPLOR/CNS 2 distance NOE simple 0 parsed_2m7c 1
1 2m7c.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2m7c 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_2m7c
_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 DE NOVO PROTEIN 18-APR-13 2M7C
*TITLE CIRCULAR PERMUTATION OF THE TRP-CAGE: FOLD RESCUE UPON ADDITION OF A
*TITLE 2 HYDROPHOBIC STAPLE
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: TRP-CAGE MINI-PROTEIN;
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES
*KEYWDS MINIPROTEIN, DE NOVO PROTEIN, TRP-CAGE, CIRCULAR PERMUTANT,
*KEYWDS 2 MICROPROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 32
*AUTHOR A.BYRNE, N.H.ANDERSEN, B.L.KIER
*REVDAT 1 25-DEC-13 2M7C 0
remark Date: Fri Oct 26 15:17:23 PDT 2012
remark title /home1/dvgloyd/Aimee/test.tbl
remark DISTINT version 0.8alpha
remark TABLE OF INTERPROTON DISTANCES
remark Values are: "d," "d-," d+
remark For the Eq.: "d=A*(int.)^B," "A=10.779," B=-0.204
remark For the Eq.: "d+=Ae^(Bd)," "A=0.0384," B=0.7317
remark For the Eq.: "d-=Ad+B," "A=0.3167," B=-0.5167
remark (G) Geminal nOes are commented out.
remark (Q) Restraints with unassigned residues are commented out.
remark (A) Proton label not recognized during Precanced Mode processing.
remark (Ss=0.2 Se=0.4) Sharp aromatic corrections for (s)pecific hydrogens or rotationally (e)quivalent hydrogens.
remark (C2=1.04) Corrected for the contribution of 2 coincident methylene proton to the nOe.
remark (C3=1.2) Corrected for the contribution of 3 coincident methyl protons to the nOe.
remark (Cm=1.3) Corrected for the contribution of 2 coincident methyl groups to the nOe.
remark (W2=0.2) Corrected for methylene proton not being stereospecifically assigned. (* replaced with #)
remark (W3=0.4) Corrected for methyl group not being stereospecifically assigned. (* replaced with #)
RPPPSDGAAYAQWLADaGWAS
;
save_
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