data_AVS_bmrb_pdb_report_30630

save_AVS_chem_shift_analysis
   _AVS_report.Sf_category      AVS_report
   _AVS_report.Sf_framecode     AVS_chem_shift_analysis
   _AVS_report.Entry_ID         30630
   _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  4 DBB UNSUPPORTED .              .          .         .              .              . . 30630 1
      1 1 1  6 IAS UNSUPPORTED .              .          .         .              .              . . 30630 1
      1 1 1 11 DBB UNSUPPORTED .              .          .         .              .              . . 30630 1
      1 1 1 14 ALA Anomalous   Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 30630 1
      1 1 1 18 ALA Anomalous   Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 30630 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 14 ALA H   8.0235 . 8.2  0.6  7.6863e-01 30630 1
      1 1 1 14 ALA HA  4.4802 . 4.26 0.44 6.1675e-01 30630 1
      1 1 1 14 ALA HB1 3.4106 A 1.35 0.26 2.2744e-15 30630 1
      1 1 1 14 ALA HB2 3.1367 A 1.35 0.26 6.3342e-12 30630 1
      1 1 1 14 ALA HB3 3.1367 A 1.35 0.26 6.3342e-12 30630 1
      1 1 1 18 ALA H   7.9269 . 8.2  0.6  6.4899e-01 30630 1
      1 1 1 18 ALA HA  4.6412 . 4.26 0.44 3.8629e-01 30630 1
      1 1 1 18 ALA HB1 3.1551 A 1.35 0.26 3.8470e-12 30630 1
      1 1 1 18 ALA HB2 3.0991 S 1.35 0.26 1.7283e-11 30630 1
      1 1 1 18 ALA HB3 3.0991 S 1.35 0.26 1.7283e-11 30630 1

   stop_

save_


save_AVS
   _Software.Sf_category    software
   _Software.Sf_framecode   AVS
   _Software.Entry_ID       30630
   _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
      30630
      1


   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      "validate protein chemical shift assignments" 30630 1

   stop_

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

      2 $AVS_citation 30630 1

   stop_

save_


save_AVS_citation
   _Citation.Sf_category     citation
   _Citation.Sf_framecode    AVS_citation
   _Citation.Entry_ID        30630
   _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_