data_AVS_bmrb_pdb_report_50697

save_AVS_chem_shift_analysis
    _AVS_report.Sf_category          AVS_report
    _AVS_report.Sf_framecode         AVS_chem_shift_analysis
    _AVS_report.Entry_ID             50697
    _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 1 125 VAL Anomalous Consistent Consistent Anomalous Consistent Consistent  . .  50697 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 1 125 VAL C 177.318 . 175.62 1.9  3.7149e-01  50697 1 
 1 1 1 125 VAL CA 67.230 . 62.49 2.86  9.7450e-02  50697 1 
 1 1 1 125 VAL CB 31.280 . 32.73 1.79  4.1791e-01  50697 1 
 1 1 1 125 VAL H 8.415 . 8.29 0.67  8.5200e-01  50697 1 
 1 1 1 125 VAL HA 5.307 . 4.19 0.58  5.4122e-02  50697 1 
 1 1 1 125 VAL HB 3.401 A 1.98 0.32  8.9698e-06  50697 1 
 1 1 1 125 VAL HG11 1.691 S 0.83 0.26  9.2784e-04  50697 1 
 1 1 1 125 VAL HG12 1.691 S 0.83 0.26  9.2784e-04  50697 1 
 1 1 1 125 VAL HG13 1.691 S 0.83 0.26  9.2784e-04  50697 1 
 1 1 1 125 VAL HG21 1.691 . 0.8 0.28  1.4619e-03  50697 1 
 1 1 1 125 VAL HG22 1.691 . 0.8 0.28  1.4619e-03  50697 1 
 1 1 1 125 VAL HG23 1.691 . 0.8 0.28  1.4619e-03  50697 1 
 1 1 1 125 VAL N 117.889 . 121.14 4.54  4.7394e-01  50697 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 1 125 VAL VAL 0.79  50697 1 
 1 1 1 125 VAL PRO 0.14  50697 1 
 1 1 1 125 VAL ILE 0.05  50697 1 

stop_


save_

save_AVS
_Software.Sf_category          software
_Software.Sf_framecode         AVS
_Software.Entry_ID             50697
_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
  50697   1 

  stop_

  loop_
    _Task.Task
    _Task.Entry_ID
    _Task.Software_ID

  "validate protein chemical shift assignments"  50697   1 

  stop_

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

  2  $AVS_citation  50697   1 

  stop_

save_

save_AVS_citation
  _Citation.Sf_category       citation
  _Citation.Sf_framecode      AVS_citation
  _Citation.Entry_ID          50697
  _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_