data_AVS_bmrb_pdb_report_16025

save_AVS_chem_shift_analysis
    _AVS_report.Sf_category          AVS_report
    _AVS_report.Sf_framecode         AVS_chem_shift_analysis
    _AVS_report.Entry_ID             16025
    _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 32 ARG Anomalous Indeterminable Suspicious Anomalous Indeterminable Consistent  "HD2 > HG2" 0.9976  16025 1 
 1 1 1 32 ARG . . . . . .  "HD3 > HG2" 0.9974  16025 1 
 1 1 1 32 ARG . . . . . .  "HD2 > HG3" 0.9983  16025 1 
 1 1 1 32 ARG . . . . . .  "HD3 > HG3" 0.9982  16025 1 
1 1 2 1 ZN UNSUPPORTED . . . . . . .16025 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 ARG H 8.215 . 8.24 0.6  9.6676e-01  16025 1 
 1 1 1 32 ARG HA 3.983 . 4.27 0.44  5.1423e-01  16025 1 
 1 1 1 32 ARG HB2 1.694 . 1.79 0.28  7.3171e-01  16025 1 
 1 1 1 32 ARG HB3 1.756 . 1.78 0.28  9.3169e-01  16025 1 
 1 1 1 32 ARG HG2 3.510 A 1.58 0.27  8.7956e-13  16025 1 
 1 1 1 32 ARG HG3 3.510 A 1.58 0.27  8.7956e-13  16025 1 
 1 1 1 32 ARG HD2 3.131 . 3.13 0.23  9.9653e-01  16025 1 
 1 1 1 32 ARG HD3 3.131 . 3.13 0.22  9.9637e-01  16025 1 
 1 1 1 32 ARG N 121.556 . 120.61 3.9  8.0834e-01  16025 1 

stop_


save_

save_AVS
_Software.Sf_category          software
_Software.Sf_framecode         AVS
_Software.Entry_ID             16025
_Software.ID                   1
_Software.Name                "AutoPeak - validate_assignments"
_Software.Version              1.4
_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
  16025   1 

  stop_

  loop_
    _Task.Task
    _Task.Entry_ID
    _Task.Software_ID

  "validate protein chemical shift assignments"  16025   1 

  stop_

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

  2  $AVS_citation  16025   1 

  stop_

save_

save_AVS_citation
  _Citation.Sf_category       citation
  _Citation.Sf_framecode      AVS_citation
  _Citation.Entry_ID          16025
  _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_