data_AVS_bmrb_pdb_report_50676

save_AVS_chem_shift_analysis
    _AVS_report.Sf_category          AVS_report
    _AVS_report.Sf_framecode         AVS_chem_shift_analysis
    _AVS_report.Entry_ID             50676
    _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 1 263 TRP Anomalous Consistent Suspicious Anomalous Consistent Consistent  "H > HA" 1.0000  50676 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 1 263 TRP CA 56.138 . 57.66 2.58  5.5524e-01  50676 1 
 1 1 1 263 TRP CB 32.126 . 30.01 2.01  2.9246e-01  50676 1 
 1 1 1 263 TRP H 7.915 . 8.29 0.79  6.3501e-01  50676 1 
 1 1 1 263 TRP HA 172.573 A 4.68 0.53  0.0000e+00  50676 1 
 1 1 1 263 TRP N 114.453 . 121.68 4.18  8.3819e-02  50676 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 1 263 TRP MET 0.18  50676 1 
 1 1 1 263 TRP LYS 0.16  50676 1 
 1 1 1 263 TRP CYS 0.15  50676 1 
 1 1 1 263 TRP ARG 0.13  50676 1 
 1 1 1 263 TRP HIS 0.12  50676 1 
 1 1 1 263 TRP TRP 0.09  50676 1 
 1 1 1 263 TRP GLU 0.07  50676 1 
 1 1 1 263 TRP GLN 0.06  50676 1 
 1 1 1 263 TRP VAL 0.01  50676 1 

stop_


save_

save_AVS
_Software.Sf_category          software
_Software.Sf_framecode         AVS
_Software.Entry_ID             50676
_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
  50676   1 

  stop_

  loop_
    _Task.Task
    _Task.Entry_ID
    _Task.Software_ID

  "validate protein chemical shift assignments"  50676   1 

  stop_

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

  2  $AVS_citation  50676   1 

  stop_

save_

save_AVS_citation
  _Citation.Sf_category       citation
  _Citation.Sf_framecode      AVS_citation
  _Citation.Entry_ID          50676
  _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_