data_AVS_bmrb_pdb_report_26620

save_AVS_chem_shift_analysis
   _AVS_report.Sf_category      AVS_report
   _AVS_report.Sf_framecode     AVS_chem_shift_analysis
   _AVS_report.Entry_ID         26620
   _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 69 ARG Anomalous   Indeterminable Consistent Consistent Indeterminable Anomalous . . 26620 1
      1 1 1 83 ARG Anomalous   Indeterminable Consistent Suspicious Indeterminable Anomalous . . 26620 1
      1 1 1 87 ARG Anomalous   Indeterminable Consistent Consistent Indeterminable Anomalous . . 26620 1
      1 1 2  1 DC  UNSUPPORTED .              .          .          .              .         . . 26620 1
      1 1 2  2 DG  UNSUPPORTED .              .          .          .              .         . . 26620 1
      1 1 2  3 DA  UNSUPPORTED .              .          .          .              .         . . 26620 1
      1 1 2  4 DC  UNSUPPORTED .              .          .          .              .         . . 26620 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 69 ARG H    8.044 .   8.24 0.61 7.4797e-01 26620 1
      1 1 1 69 ARG HE   8.435 .   7.4  0.63 1.0041e-01 26620 1
      1 1 1 69 ARG N  121.926 . 120.8  3.68 7.5962e-01 26620 1
      1 1 1 69 ARG NE 116.747 A  84.63 1.68 1.8138e-81 26620 1
      1 1 1 83 ARG H    8.266 .   8.24 0.61 9.6600e-01 26620 1
      1 1 1 83 ARG HE   9.736 S   7.4  0.63 2.0896e-04 26620 1
      1 1 1 83 ARG N  120.035 . 120.8  3.68 8.3532e-01 26620 1
      1 1 1 83 ARG NE 118.183 A  84.63 1.68 9.6465e-89 26620 1
      1 1 1 87 ARG H    9.384 .   8.24 0.61 6.0737e-02 26620 1
      1 1 1 87 ARG HE   7.047 .   7.4  0.63 5.7526e-01 26620 1
      1 1 1 87 ARG N  124.161 . 120.8  3.68 3.6108e-01 26620 1
      1 1 1 87 ARG NE 121.010 A  84.63 1.68 0.0000e+00 26620 1

   stop_

save_


save_AVS
   _Software.Sf_category    software
   _Software.Sf_framecode   AVS
   _Software.Entry_ID       26620
   _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
      26620
      1


   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      "validate protein chemical shift assignments" 26620 1

   stop_

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

      2 $AVS_citation 26620 1

   stop_

save_


save_AVS_citation
   _Citation.Sf_category     citation
   _Citation.Sf_framecode    AVS_citation
   _Citation.Entry_ID        26620
   _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_