data_AVS_bmrb_pdb_report_19457
save_AVS_chem_shift_analysis
_AVS_report.Sf_category AVS_report
_AVS_report.Sf_framecode AVS_chem_shift_analysis
_AVS_report.Entry_ID 19457
_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 2 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19457 1
1 1 1 3 HIS Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19457 1
1 1 1 4 HIS Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19457 1
1 1 1 5 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19457 1
1 1 1 6 PHE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19457 1
1 1 1 7 ARG Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19457 1
1 1 1 9 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19457 1
1 1 1 10 VAL Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19457 1
1 1 1 11 HIS Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19457 1
1 1 1 12 ALA Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19457 1
1 1 1 14 ARG Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19457 1
1 1 1 15 SER Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19457 1
1 1 1 16 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19457 1
1 1 1 17 GLY Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19457 1
1 1 1 18 ARG Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19457 1
1 1 1 19 PHE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19457 1
1 1 1 20 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19457 1
1 1 1 21 THR Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19457 1
1 1 1 22 GLY Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19457 1
1 1 1 223 NH UNSUPPORTED . . . . . . . 19457 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 2 ILE N 82.0 A 121.46 4.28 2.9814e-20 19457 1
1 1 1 3 HIS N 62.5 A 119.69 4 2.2681e-46 19457 1
1 1 1 4 HIS N 71.5 A 119.69 4 1.9992e-33 19457 1
1 1 1 5 ILE N 51.3 A 121.46 4.28 2.1628e-60 19457 1
1 1 1 6 PHE N 67.4 A 120.45 4.18 6.6006e-37 19457 1
1 1 1 7 ARG N 41.5 A 120.8 3.68 0.0000e+00 19457 1
1 1 1 9 ILE N 51.8 A 121.46 4.28 1.4683e-59 19457 1
1 1 1 10 VAL N 44.2 A 121.14 4.54 2.0206e-64 19457 1
1 1 1 11 HIS N 61.5 A 119.69 4 6.0577e-48 19457 1
1 1 1 12 ALA N 51.4 A 123.23 3.54 0.0000e+00 19457 1
1 1 1 14 ARG N 50.3 A 120.8 3.68 8.3628e-82 19457 1
1 1 1 15 SER N 65.6 A 116.28 3.52 5.3473e-47 19457 1
1 1 1 16 ILE N 36.5 A 121.46 4.28 1.0918e-87 19457 1
1 1 1 17 GLY N 41.8 A 109.67 3.87 7.4159e-69 19457 1
1 1 1 18 ARG N 57.8 A 120.8 3.68 1.0606e-65 19457 1
1 1 1 19 PHE N 58.6 A 120.45 4.18 1.5396e-49 19457 1
1 1 1 20 LEU N 50.0 A 121.86 3.9 8.1816e-76 19457 1
1 1 1 21 THR N 41.1 A 115.42 4.75 3.5202e-55 19457 1
1 1 1 22 GLY N 39.0 A 109.67 3.87 1.6922e-74 19457 1
stop_
save_
save_AVS
_Software.Sf_category software
_Software.Sf_framecode AVS
_Software.Entry_ID 19457
_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 19457 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
"validate protein chemical shift assignments" 19457 1
stop_
loop_
_Software_citation.Citation_ID
_Software_citation.Citation_label
_Software_citation.Entry_ID
_Software_citation.Software_ID
2 $AVS_citation 19457 1
stop_
save_
save_AVS_citation
_Citation.Sf_category citation
_Citation.Sf_framecode AVS_citation
_Citation.Entry_ID 19457
_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_