data_AVS_bmrb_pdb_report_11148
save_AVS_chem_shift_analysis
_AVS_report.Sf_category AVS_report
_AVS_report.Sf_framecode AVS_chem_shift_analysis
_AVS_report.Entry_ID 11148
_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 90 TYR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 11148 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 90 TYR C 169.744 . 175.39 1.89 2.8145e-03 11148 1
1 1 1 90 TYR CA 53.200 . 58.02 2.64 6.7887e-02 11148 1
1 1 1 90 TYR CB 38.518 . 39.16 2.23 7.7343e-01 11148 1
1 1 1 90 TYR CD1 130.651 . 132.54 1.35 1.6173e-01 11148 1
1 1 1 90 TYR CD2 130.651 . 132.26 1.99 4.1878e-01 11148 1
1 1 1 90 TYR CE1 114.595 . 117.81 2.09 1.2398e-01 11148 1
1 1 1 90 TYR CE2 114.595 A 117.91 2.6 2.0231e-01 11148 1
1 1 1 90 TYR H 8.271 . 8.37 0.75 8.9498e-01 11148 1
1 1 1 90 TYR HA 4.435 . 4.63 0.56 7.2768e-01 11148 1
1 1 1 90 TYR HB2 2.957 . 2.91 0.37 8.9892e-01 11148 1
1 1 1 90 TYR HB3 2.456 . 2.91 0.37 2.1981e-01 11148 1
1 1 1 90 TYR HD1 6.461 . 6.87 0.65 5.2920e-01 11148 1
1 1 1 90 TYR HD2 6.461 . 6.86 0.68 5.5736e-01 11148 1
1 1 1 90 TYR HE1 6.460 . 6.64 0.58 7.5630e-01 11148 1
1 1 1 90 TYR HE2 6.460 . 6.63 0.61 7.8048e-01 11148 1
1 1 1 90 TYR N 113.357 . 120.79 4.69 1.1300e-01 11148 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.PRTL_comp_type
_AVS_analysis.PRTL_probability_score
_AVS_analysis.Entry_ID
_AVS_analysis.AVS_report_ID
1 1 1 90 TYR CYS 0.73 11148 1
1 1 1 90 TYR TYR 0.26 11148 1
stop_
save_
save_AVS
_Software.Sf_category software
_Software.Sf_framecode AVS
_Software.Entry_ID 11148
_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.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 11148 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
"validate protein chemical shift assignments" 11148 1
stop_
loop_
_Software_citation.Citation_ID
_Software_citation.Citation_label
_Software_citation.Entry_ID
_Software_citation.Software_ID
2 $AVS_citation 11148 1
stop_
save_
save_AVS_citation
_Citation.Sf_category citation
_Citation.Sf_framecode AVS_citation
_Citation.Entry_ID 11148
_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_