data_AVS_bmrb_pdb_report_5309
save_AVS_chem_shift_analysis
_AVS_report.Sf_category AVS_report
_AVS_report.Sf_framecode AVS_chem_shift_analysis
_AVS_report.Entry_ID 5309
_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
5309 1 1 1 1 57 LEU Anomalous Consistent Consistent Anomalous Consistent 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
5309 1 1 1 1 57 LEU C 176.7 . 176.97 2.09 8.9721e-01
5309 1 1 1 1 57 LEU CA 53.4 . 55.65 2.21 3.0863e-01
5309 1 1 1 1 57 LEU CB 48.2 . 42.37 1.86 1.7220e-03
5309 1 1 1 1 57 LEU CG 27.2 . 26.77 1.25 7.3085e-01
5309 1 1 1 1 57 LEU CD1 25.0 . 24.73 1.71 8.7454e-01
5309 1 1 1 1 57 LEU H 9.57 . 8.22 0.65 3.7809e-02
5309 1 1 1 1 57 LEU HA 6.17 M 4.32 0.47 8.2792e-05
5309 1 1 1 1 57 LEU HB2 1.97 . 1.63 0.34 3.1731e-01
5309 1 1 1 1 57 LEU HB3 1.78 . 1.57 0.36 5.5967e-01
5309 1 1 1 1 57 LEU HG 1.62 . 1.54 0.33 8.0845e-01
5309 1 1 1 1 57 LEU HD1 1.16 . 0.77 0.27 1.4861e-01
5309 1 1 1 1 57 LEU HD2 1.16 . 0.76 0.28 1.5313e-01
5309 1 1 1 1 57 LEU N 125.8 . 121.98 4.07 3.4795e-01
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.PRTL_comp_type
_AVS_analysis.PRTL_probability_score
5309 1 1 1 1 57 LEU CYS 0.79
5309 1 1 1 1 57 LEU GLY 0.11
5309 1 1 1 1 57 LEU LEU 0.07
5309 1 1 1 1 57 LEU ALA 0.01
stop_
save_
save_AVS
_Software.Sf_category software
_Software.Sf_framecode AVS
_Software.Entry_ID 5309
_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
5309 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
5309 1 "validate protein chemical shift assignments"
stop_
loop_
_Software_citation.Entry_ID
_Software_citation.Software_ID
_Software_citation.Citation_ID
_Software_citation.Citation_label
5309 1 2 $AVS_citation
stop_
save_
save_AVS_citation
_Citation.Sf_category citation
_Citation.Sf_framecode AVS_citation
_Citation.Entry_ID 5309
_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_