data_AVS_bmrb_pdb_report_50719

save_AVS_chem_shift_analysis
    _AVS_report.Sf_category          AVS_report
    _AVS_report.Sf_framecode         AVS_chem_shift_analysis
    _AVS_report.Entry_ID             50719
    _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 17 SEP UNSUPPORTED . . . . . . . 50719 1
 1 1 1 32 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous  . .  50719 1 
 1 1 1 33 PHE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous  . .  50719 1 
 1 1 1 36 PHE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous  . .  50719 1 
 1 1 1 37 ALA Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous  . .  50719 1 
 1 1 1 39 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous  . .  50719 1 
 1 1 1 40 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous  . .  50719 1 
 1 1 1 41 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous  . .  50719 1 
 1 1 1 43 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous  . .  50719 1 
 1 1 1 44 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous  . .  50719 1 
 1 1 1 45 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous  . .  50719 1 
 1 1 1 46 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous  . .  50719 1 
 1 1 1 47 ALA Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous  . .  50719 1 
 1 1 1 48 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous  . .  50719 1 
 1 1 1 49 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous  . .  50719 1 
 1 1 1 50 VAL Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous  . .  50719 1 
 1 1 1 51 MET Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous  . .  50719 1 
 1 1 1 52 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous  . .  50719 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 32 LEU N 155.195 A 121.86 3.9  1.2585e-17  50719 1 
 1 1 1 33 PHE N 177.912 A 120.45 4.18  5.3166e-43  50719 1 
 1 1 1 36 PHE N 166.225 A 120.45 4.18  6.5749e-28  50719 1 
 1 1 1 37 ALA N 184.327 A 123.23 3.54  9.5689e-67  50719 1 
 1 1 1 39 ILE N 146.495 A 121.46 4.28  4.9365e-09  50719 1 
 1 1 1 40 LEU N 185.659 A 121.86 3.9  3.7698e-60  50719 1 
 1 1 1 41 ILE N 163.506 A 121.46 4.28  8.8899e-23  50719 1 
 1 1 1 43 LEU N 166.225 A 121.86 3.9  5.5295e-30  50719 1 
 1 1 1 44 LEU N 191.046 A 121.86 3.9  2.0594e-70  50719 1 
 1 1 1 45 LEU N 145.564 A 121.86 3.9  1.2173e-09  50719 1 
 1 1 1 46 ILE N 144.477 A 121.46 4.28  7.5400e-08  50719 1 
 1 1 1 47 ALA N 185.659 A 123.23 3.54  1.3197e-69  50719 1 
 1 1 1 48 ILE N 175.909 A 121.46 4.28  4.4784e-37  50719 1 
 1 1 1 49 ILE N 139.221 A 121.46 4.28  3.3281e-05  50719 1 
 1 1 1 50 VAL N 160.138 A 121.14 4.54  8.7069e-18  50719 1 
 1 1 1 51 MET N 190.866 A 120.09 3.57  1.8043e-87  50719 1 
 1 1 1 52 LEU N 163.655 A 121.86 3.9  8.5012e-27  50719 1 

stop_


save_

save_AVS
_Software.Sf_category          software
_Software.Sf_framecode         AVS
_Software.Entry_ID             50719
_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
  50719   1 

  stop_

  loop_
    _Task.Task
    _Task.Entry_ID
    _Task.Software_ID

  "validate protein chemical shift assignments"  50719   1 

  stop_

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

  2  $AVS_citation  50719   1 

  stop_

save_

save_AVS_citation
  _Citation.Sf_category       citation
  _Citation.Sf_framecode      AVS_citation
  _Citation.Entry_ID          50719
  _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_