data_AVS_bmrb_pdb_report_15440
save_AVS_chem_shift_analysis
_AVS_report.Sf_category AVS_report
_AVS_report.Sf_framecode AVS_chem_shift_analysis
_AVS_report.Entry_ID 15440
_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
15440 1 1 1 1 112 TYR Anomalous Consistent Consistent Consistent Anomalous 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
15440 1 1 1 1 112 TYR C 176.422 . 175.39 1.89 5.8504e-01
15440 1 1 1 1 112 TYR CA 59.139 . 58.02 2.64 6.7167e-01
15440 1 1 1 1 112 TYR CB 40.301 . 39.16 2.23 6.0889e-01
15440 1 1 1 1 112 TYR CD1 131.940 . 132.54 1.35 6.5672e-01
15440 1 1 1 1 112 TYR CD2 131.940 . 132.26 1.99 8.7225e-01
15440 1 1 1 1 112 TYR CE1 105.320 M 117.81 2.09 2.2858e-09
15440 1 1 1 1 112 TYR CE2 104.280 M 117.91 2.6 1.5858e-07
15440 1 1 1 1 112 TYR H 7.349 . 8.37 0.75 1.7341e-01
15440 1 1 1 1 112 TYR HA 3.944 . 4.63 0.56 2.2058e-01
15440 1 1 1 1 112 TYR HB2 3.107 . 2.91 0.37 5.9443e-01
15440 1 1 1 1 112 TYR HB3 2.427 . 2.91 0.37 1.9175e-01
15440 1 1 1 1 112 TYR HD1 7.120 . 6.87 0.65 7.0052e-01
15440 1 1 1 1 112 TYR HD2 7.120 . 6.86 0.68 7.0220e-01
15440 1 1 1 1 112 TYR HE1 7.260 . 6.64 0.58 2.8509e-01
15440 1 1 1 1 112 TYR HE2 7.260 . 6.63 0.61 3.0170e-01
15440 1 1 1 1 112 TYR N 116.156 . 120.79 4.69 3.2312e-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
15440 1 1 1 1 112 TYR GLY 0.99
stop_
save_
save_AVS
_Software.Sf_category software
_Software.Sf_framecode AVS
_Software.Entry_ID 15440
_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
15440 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
15440 1 "validate protein chemical shift assignments"
stop_
loop_
_Software_citation.Entry_ID
_Software_citation.Software_ID
_Software_citation.Citation_ID
_Software_citation.Citation_label
15440 1 2 $AVS_citation
stop_
save_
save_AVS_citation
_Citation.Sf_category citation
_Citation.Sf_framecode AVS_citation
_Citation.Entry_ID 15440
_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_