data_AVS_bmrb_pdb_report_30821

save_AVS_chem_shift_analysis
    _AVS_report.Sf_category          AVS_report
    _AVS_report.Sf_framecode         AVS_chem_shift_analysis
    _AVS_report.Entry_ID             30821
    _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 1 135 TYR Anomalous Consistent Consistent Anomalous Consistent Consistent  . .  30821 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 1 135 TYR C 174.620 . 175.4 1.99  6.9509e-01  30821 1 
 1 1 1 135 TYR CA 55.227 . 58.13 2.51  2.4745e-01  30821 1 
 1 1 1 135 TYR CB 39.046 . 39.32 2.16  8.9906e-01  30821 1 
 1 1 1 135 TYR CD1 133.155 . 132.77 1.17  7.4211e-01  30821 1 
 1 1 1 135 TYR CE1 118.276 . 117.93 1.19  7.7124e-01  30821 1 
 1 1 1 135 TYR H 8.697 . 8.32 0.73  6.0555e-01  30821 1 
 1 1 1 135 TYR HA 4.458 . 4.63 0.56  7.5873e-01  30821 1 
 1 1 1 135 TYR HB2 -0.168 A 2.91 0.37  8.8769e-17  30821 1 
 1 1 1 135 TYR HB3 1.697 . 2.84 0.39  3.3812e-03  30821 1 
 1 1 1 135 TYR HD1 7.316 . 6.93 0.3  1.9821e-01  30821 1 
 1 1 1 135 TYR HD2 7.316 . 6.93 0.3  1.9821e-01  30821 1 
 1 1 1 135 TYR HE1 7.036 . 6.7 0.23  1.4405e-01  30821 1 
 1 1 1 135 TYR HE2 7.036 . 6.71 0.23  1.5637e-01  30821 1 
 1 1 1 135 TYR N 124.659 . 120.52 4.2  3.2439e-01  30821 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 1 135 TYR TYR 0.99  30821 1 

stop_


save_

save_AVS
_Software.Sf_category          software
_Software.Sf_framecode         AVS
_Software.Entry_ID             30821
_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
  30821   1 

  stop_

  loop_
    _Task.Task
    _Task.Entry_ID
    _Task.Software_ID

  "validate protein chemical shift assignments"  30821   1 

  stop_

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

  2  $AVS_citation  30821   1 

  stop_

save_

save_AVS_citation
  _Citation.Sf_category       citation
  _Citation.Sf_framecode      AVS_citation
  _Citation.Entry_ID          30821
  _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_