data_AVS_bmrb_pdb_report_4589
save_AVS_chem_shift_analysis
_AVS_report.Sf_category AVS_report
_AVS_report.Sf_framecode AVS_chem_shift_analysis
_AVS_report.Entry_ID 4589
_AVS_report.ID 1
_AVS_report.Software_ID 1
_AVS_report.Software_label $AVS
loop_
_AVS_analysis.Entry_ID
_AVS_analysis.AVS_report_ID
_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
4589 1 1 1 1 69 THR Anomalous Indeterminable Consistent Anomalous Indeterminable Consistent . .
4589 1 1 1 1 86 LEU Anomalous Indeterminable Consistent Anomalous Indeterminable Consistent . .
stop_
loop_
_AVS_analysis.Entry_ID
_AVS_analysis.AVS_report_ID
_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
4589 1 1 1 1 69 THR H 11.31 M 8.27 0.62 9.4276e-07
4589 1 1 1 1 69 THR HA 4.42 . 4.48 0.5 9.0448e-01
4589 1 1 1 1 69 THR HB 4.18 . 4.17 0.37 9.7844e-01
4589 1 1 1 1 69 THR HG2 1.10 . 1.16 0.28 8.3032e-01
4589 1 1 1 1 69 THR N 124.95 . 115.7 5.05 6.6999e-02
4589 1 1 1 1 86 LEU H 7.51 . 8.22 0.65 2.7470e-01
4589 1 1 1 1 86 LEU HA 4.02 . 4.32 0.47 5.2328e-01
4589 1 1 1 1 86 LEU HB2 3.07 M 1.63 0.34 2.2825e-05
4589 1 1 1 1 86 LEU HB3 3.07 S 1.57 0.36 3.0909e-05
4589 1 1 1 1 86 LEU HG 2.91 S 1.54 0.33 3.3028e-05
4589 1 1 1 1 86 LEU HD1 0.82 . 0.77 0.27 8.5308e-01
4589 1 1 1 1 86 LEU HD2 0.73 . 0.76 0.28 9.1468e-01
4589 1 1 1 1 86 LEU N 110.94 . 121.98 4.07 6.6772e-03
stop_
save_
save_AVS
_Software.Sf_category software
_Software.Sf_framecode AVS
_Software.Entry_ID 4589
_Software.ID 1
_Software.Name "AutoPeak - validate_assignments"
_Software.Version 1.4
_Software.Details
;
Original version modified by BMRB to export results in a BMRB STAR format. Changed status "Misassigned" to "Anomalous"
;
loop_
_Vendor.Entry_ID
_Vendor.Software_ID
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
4589 1 "Hunter Moseley"
;
Center for Advanced Biotechnology and Medicine
Rutgers University
679 Hoes Lane, Piscataway NJ 08854-5638
;
hunter@cabm.rutgers.edu
stop_
loop_
_Task.Entry_ID
_Task.Software_ID
_Task.Task
4589 1 "validate protein chemical shift assignments"
stop_
loop_
_Software_citation.Entry_ID
_Software_citation.Software_ID
_Software_citation.Citation_ID
_Software_citation.Citation_label
4589 1 2 $AVS_citation
stop_
save_
save_AVS_citation
_Citation.Sf_category citation
_Citation.Sf_framecode AVS_citation
_Citation.Entry_ID 4589
_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_