data_AVS_bmrb_pdb_report_5044
save_AVS_chem_shift_analysis
_AVS_report.Sf_category AVS_report
_AVS_report.Sf_framecode AVS_chem_shift_analysis
_AVS_report.Entry_ID 5044
_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
5044 1 1 1 1 5 GLN Anomalous Consistent Consistent Consistent Consistent Anomalous . .
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
5044 1 1 1 1 5 GLN CA 55.661 . 56.62 2.19 6.6146e-01
5044 1 1 1 1 5 GLN CB 29.624 . 29.1 1.97 7.9025e-01
5044 1 1 1 1 5 GLN CG 33.834 . 33.72 1.1 9.1746e-01
5044 1 1 1 1 5 GLN H 8.425 . 8.22 0.62 7.4091e-01
5044 1 1 1 1 5 GLN HA 4.339 . 4.28 0.44 8.9333e-01
5044 1 1 1 1 5 GLN HB2 1.949 . 2.05 0.28 7.1831e-01
5044 1 1 1 1 5 GLN HB3 2.029 . 2.04 0.29 9.6974e-01
5044 1 1 1 1 5 GLN HG2 2.319 . 2.32 0.29 9.9725e-01
5044 1 1 1 1 5 GLN HG3 2.319 . 2.32 0.29 9.9725e-01
5044 1 1 1 1 5 GLN HE21 7.567 . 7.17 0.46 3.8811e-01
5044 1 1 1 1 5 GLN HE22 6.846 . 7.07 0.49 6.4757e-01
5044 1 1 1 1 5 GLN N 125.415 . 119.92 4.01 1.7059e-01
5044 1 1 1 1 5 GLN NE2 133.301 M 111.81 2.2 1.5350e-22
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
5044 1 1 1 1 5 GLN GLN 0.26
5044 1 1 1 1 5 GLN CYS 0.24
5044 1 1 1 1 5 GLN LYS 0.22
5044 1 1 1 1 5 GLN GLU 0.11
5044 1 1 1 1 5 GLN MET 0.1
5044 1 1 1 1 5 GLN ARG 0.03
stop_
save_
save_AVS
_Software.Sf_category software
_Software.Sf_framecode AVS
_Software.Entry_ID 5044
_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
5044 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
5044 1 "validate protein chemical shift assignments"
stop_
loop_
_Software_citation.Entry_ID
_Software_citation.Software_ID
_Software_citation.Citation_ID
_Software_citation.Citation_label
5044 1 2 $AVS_citation
stop_
save_
save_AVS_citation
_Citation.Sf_category citation
_Citation.Sf_framecode AVS_citation
_Citation.Entry_ID 5044
_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_