NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image	mrblock_id	pdb_id	bmrb_id	cing	stage	program	type
	31498	1egf	2201	cing	2-parsed	STAR	comment

data_1egf_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1egf 
    _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_1egf   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1egf 
    _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   1egf   "Master copy"    parsed_1egf   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1egf 
    _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   1egf.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_1egf   1   
        1   1egf.mr   .   .    DYANA/DIANA   2    distance                  NOE                 simple             671   parsed_1egf   1   
        1   1egf.mr   .   .    n/a           3    comment                  "Not applicable"    "Not applicable"      0   parsed_1egf   1   
        1   1egf.mr   .   .    DYANA/DIANA   4    distance                 "disulfide bond"     simple               0   parsed_1egf   1   
        1   1egf.mr   .   .    DYANA/DIANA   5    distance                 "hydrogen bond"      simple               0   parsed_1egf   1   
        1   1egf.mr   .   .    n/a           6    comment                  "Not applicable"    "Not applicable"      0   parsed_1egf   1   
        1   1egf.mr   .   .    unknown       7   "dihedral angle"          "Not applicable"    "Not applicable"      0   parsed_1egf   1   
        1   1egf.mr   .   .    n/a           8    comment                  "Not applicable"    "Not applicable"      0   parsed_1egf   1   
        1   1egf.mr   .   .   "MR format"    9   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_1egf   1   
    stop_

save_


save_MR_file_comment_3
    _Org_constr_file_comment.Sf_category         org_constr_file_comment 
    _Org_constr_file_comment.Entry_ID            parsed_1egf 
    _Org_constr_file_comment.ID                  1 
    _Org_constr_file_comment.Constraint_file_ID  1 
    _Org_constr_file_comment.Block_ID            3 
    _Org_constr_file_comment.Details            "Generated by Wattos" 
    _Org_constr_file_comment.Comment            
;
___________________________________________________________________________
The pseudo-atom (QA, QB, QG, QE, QQG, QQD, CG1, and CZ4) names 
are those described in Wuethrich, et al.[J. Mol. Biol.169: 949(1983)]. 
The side-chain amide protons (HDE, HDZ in Asn and HEE, HEZ in Gln) 
have been individually assigned.

Each upper-bound constraint includes a brief comment(#)indicating the 
magnitude of the pseudo-atom correction factor which has been added 
to the value determined from the scheme outlined in Table I of
the article cited in the JRNL entry.  The basis for these values 
(i,g,m,r,q corresponding to 0.6,0.7,1.0,2.0,and 2.4 angstroms)is 
described in Wuethrich, et al.[J. Mol. Biol. 169: 949(1983)].

Additional comments are:
da-degenerate alpha proton resonances, NOE intensity divided by two;
db-degenerate beta proton resonances, NOE intensity divided by two;
dg-degenerate gamma proton resonances, NOE intensity divided by two;
dd-degenerate delta proton resonances, NOE intensity divided by two;
de-degenerate epsilon proton resonances, NOE intensity divided by two;
Me-methyl protons, NOE intensity divided by three;
BOTH-both NOESY crosspeaks between a given proton and the two protons
  of a single methylene could be established quantitatively, and both
  upper-bound constraints were assigned to the larger of the two 
  corresponding distances;
SS-CONSTR - disulfide constraint;
H-BOND - hydrogen-bond constraint.

The NOE-derived upperbound distance constraints were derived from 
three NOESY spectra: 65 ms mixing time in H2O (65 MS H2O); 100 ms
mixing time in D2O (100 MS H2O); and 250 ms mixing time in D2O 
(250 ms D2O).  Additional NOE-derived constraints which were derived 
from carefully baseline-corrected 65 ms mixing time data are indicated 
as 65 MS H2O LP (low plotting).



Table II.  Lower-bound Constraint List
	     Murine Epidermal Growth Factor
	      pH: 3.1, Temp: 28 deg
;

save_

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