data_AVS_bmrb_pdb_report_10040
save_AVS_chem_shift_analysis
_AVS_report.Sf_category AVS_report
_AVS_report.Sf_framecode AVS_chem_shift_analysis
_AVS_report.Entry_ID 10040
_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
10040 1 1 1 1 76 GLN Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HG2" 1.0000
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
10040 1 1 1 1 76 GLN C 178.318 . 176.39 1.96 3.2528e-01
10040 1 1 1 1 76 GLN CA 56.835 . 56.62 2.19 9.2179e-01
10040 1 1 1 1 76 GLN CB 27.668 . 29.1 1.97 4.6729e-01
10040 1 1 1 1 76 GLN CG 33.200 . 33.72 1.1 6.3641e-01
10040 1 1 1 1 76 GLN H 7.617 . 8.22 0.62 3.3076e-01
10040 1 1 1 1 76 GLN HA 1.771 M 4.28 0.44 1.1822e-08
10040 1 1 1 1 76 GLN HB2 1.478 . 2.05 0.28 4.1067e-02
10040 1 1 1 1 76 GLN HB3 1.351 . 2.04 0.29 1.7508e-02
10040 1 1 1 1 76 GLN HG2 1.843 . 2.32 0.29 1.0001e-01
10040 1 1 1 1 76 GLN HG3 1.550 . 2.32 0.29 7.9268e-03
10040 1 1 1 1 76 GLN HE21 7.079 . 7.17 0.46 8.4318e-01
10040 1 1 1 1 76 GLN HE22 6.838 . 7.07 0.49 6.3588e-01
10040 1 1 1 1 76 GLN N 116.938 . 119.92 4.01 4.5709e-01
10040 1 1 1 1 76 GLN NE2 109.108 . 111.81 2.2 2.1938e-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
10040 1 1 1 1 76 GLN CYS 0.27
10040 1 1 1 1 76 GLN LYS 0.24
10040 1 1 1 1 76 GLN GLN 0.24
10040 1 1 1 1 76 GLN ARG 0.15
10040 1 1 1 1 76 GLN GLU 0.04
10040 1 1 1 1 76 GLN MET 0.02
stop_
save_
save_AVS
_Software.Sf_category software
_Software.Sf_framecode AVS
_Software.Entry_ID 10040
_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
10040 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
10040 1 "validate protein chemical shift assignments"
stop_
loop_
_Software_citation.Entry_ID
_Software_citation.Software_ID
_Software_citation.Citation_ID
_Software_citation.Citation_label
10040 1 2 $AVS_citation
stop_
save_
save_AVS_citation
_Citation.Sf_category citation
_Citation.Sf_framecode AVS_citation
_Citation.Entry_ID 10040
_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_