data_AVS_bmrb_pdb_report_34620

save_AVS_chem_shift_analysis
    _AVS_report.Sf_category          AVS_report
    _AVS_report.Sf_framecode         AVS_chem_shift_analysis
    _AVS_report.Entry_ID             34620
    _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 2 TYR Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable  . .  34620 1 
1 1 1 210 NH UNSUPPORTED . . . . . . . 34620 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 2 TYR H 8.25 . 8.32 0.73  9.2361e-01  34620 1 
 1 1 1 2 TYR HA 4.86 . 4.63 0.56  6.8128e-01  34620 1 
 1 1 1 2 TYR HB2 3.27 . 2.91 0.37  3.3057e-01  34620 1 
 1 1 1 2 TYR HB3 3.00 . 2.84 0.39  6.8162e-01  34620 1 
 1 1 1 2 TYR HD1 7.25 . 6.93 0.3  2.8612e-01  34620 1 
 1 1 1 2 TYR HD2 7.25 . 6.93 0.3  2.8612e-01  34620 1 
 1 1 1 2 TYR HE1 6.91 . 6.7 0.23  3.6122e-01  34620 1 
 1 1 1 2 TYR HE2 6.91 . 6.71 0.23  3.8454e-01  34620 1 
 1 1 1 2 TYR HH 4.8 A 9.3 1.36  9.3689e-04  34620 1 

stop_


save_

save_AVS
_Software.Sf_category          software
_Software.Sf_framecode         AVS
_Software.Entry_ID             34620
_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
  34620   1 

  stop_

  loop_
    _Task.Task
    _Task.Entry_ID
    _Task.Software_ID

  "validate protein chemical shift assignments"  34620   1 

  stop_

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

  2  $AVS_citation  34620   1 

  stop_

save_

save_AVS_citation
  _Citation.Sf_category       citation
  _Citation.Sf_framecode      AVS_citation
  _Citation.Entry_ID          34620
  _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_