data_AVS_bmrb_pdb_report_28032

save_AVS_chem_shift_analysis
    _AVS_report.Sf_category          AVS_report
    _AVS_report.Sf_framecode         AVS_chem_shift_analysis
    _AVS_report.Entry_ID             28032
    _AVS_report.ID                   1
    _AVS_report.Software_ID          1
    _AVS_report.Software_label       $AVS

loop_
    _AVS_analysis.Assembly_ID
    _AVS_analysis.Entity_assembly_ID
    _AVS_analysis.Entity_ID
    _AVS_analysis.Comp_index_ID
    _AVS_analysis.Comp_ID
    _AVS_analysis.Comp_overall_assignment_score
    _AVS_analysis.Comp_typing_score
    _AVS_analysis.Comp_SRO_score
    _AVS_analysis.Comp_1H_shifts_analysis_status
    _AVS_analysis.Comp_13C_shifts_analysis_status
    _AVS_analysis.Comp_15N_shifts_analysis_status
    _AVS_analysis.SRO_rule_break
    _AVS_analysis.SRO_rule_break_probability
    _AVS_analysis.Entry_ID
    _AVS_analysis.AVS_report_ID

 1 1 1 110 SER Anomalous Consistent Consistent Anomalous Consistent Consistent  . .  28032 1 

stop_

loop_
    _AVS_analysis.Assembly_ID
    _AVS_analysis.Entity_assembly_ID
    _AVS_analysis.Entity_ID
    _AVS_analysis.Comp_index_ID
    _AVS_analysis.Comp_ID
    _AVS_analysis.Atom_ID
    _AVS_analysis.Observed_chem_shift
    _AVS_analysis.Observed_chem_shift_typing
    _AVS_analysis.Stat_chem_shift_expected
    _AVS_analysis.Stat_chem_shift_std
    _AVS_analysis.Stat_chem_shift_chi_sqr
    _AVS_analysis.Entry_ID
    _AVS_analysis.AVS_report_ID

 1 1 1 110 SER C 173.878 . 174.62 1.72  6.6618e-01  28032 1 
 1 1 1 110 SER CA 54.996 . 58.72 2.07  7.2013e-02  28032 1 
 1 1 1 110 SER CB 65.364 . 63.8 1.48  2.9062e-01  28032 1 
 1 1 1 110 SER H 7.558 . 8.28 0.59  2.2105e-01  28032 1 
 1 1 1 110 SER HA 4.893 . 4.48 0.4  3.0184e-01  28032 1 
 1 1 1 110 SER HB2 2.456 S 3.88 0.25  1.2265e-08  28032 1 
 1 1 1 110 SER HB3 1.322 A 3.85 0.27  7.7531e-21  28032 1 
 1 1 1 110 SER N 113.936 . 116.28 3.52  5.0547e-01  28032 1 

stop_

loop_
    _AVS_analysis.Assembly_ID
    _AVS_analysis.Entity_assembly_ID
    _AVS_analysis.Entity_ID
    _AVS_analysis.Comp_index_ID
    _AVS_analysis.Comp_ID
    _AVS_analysis.PRTL_comp_type
    _AVS_analysis.PRTL_probability_score
    _AVS_analysis.Entry_ID
    _AVS_analysis.AVS_report_ID

 1 1 1 110 SER SER 0.99  28032 1 

stop_


save_

save_AVS
_Software.Sf_category          software
_Software.Sf_framecode         AVS
_Software.Entry_ID             28032
_Software.ID                   1
_Software.Name                "AutoPeak - validate_assignments"
_Software.Version              2011-12-10
_Software.Details             
;
Original version modified by BMRB to export results in a BMRB STAR format. Changed status "Misassigned" to "Anomalous"
;

  loop_
     _Vendor.Name
     _Vendor.Address
     _Vendor.Electronic_address
     _Vendor.Entry_ID
     _Vendor.Software_ID

  "Hunter Moseley"

;
Center for Advanced Biotechnology and Medicine
Rutgers University
679 Hoes Lane, Piscataway NJ 08854-5638
;

  hunter@cabm.rutgers.edu
  28032   1 

  stop_

  loop_
    _Task.Task
    _Task.Entry_ID
    _Task.Software_ID

  "validate protein chemical shift assignments"  28032   1 

  stop_

  loop_
    _Software_citation.Citation_ID
    _Software_citation.Citation_label
    _Software_citation.Entry_ID
    _Software_citation.Software_ID

  2  $AVS_citation  28032   1 

  stop_

save_

save_AVS_citation
  _Citation.Sf_category       citation
  _Citation.Sf_framecode      AVS_citation
  _Citation.Entry_ID          28032
  _Citation.ID                2
  _Citation.Class             citation
  _Citation.PubMed_ID         14872126
  _Citation.Full_citation
;
Moseley HN, Sahota G, Montelione GT., Assignment validation software suite 
for the evaluation and presentation of protein resonance assignment data.
J Biomol NMR. 28, 341-55 (2004)
;

  _Citation.Status           published
  _Citation.Type             journal

save_