data_AVS_bmrb_pdb_report_16150
save_AVS_chem_shift_analysis
_AVS_report.Sf_category AVS_report
_AVS_report.Sf_framecode AVS_chem_shift_analysis
_AVS_report.Entry_ID 16150
_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 11 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16150 1
1 1 1 35 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16150 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 11 ARG CA 55.6 . 56.77 2.31 6.1251e-01 16150 1
1 1 1 11 ARG CB 32.0 . 30.7 1.83 4.7747e-01 16150 1
1 1 1 11 ARG CG 27.2 . 27.21 1.2 9.9335e-01 16150 1
1 1 1 11 ARG CD 43.2 . 43.16 0.88 9.6375e-01 16150 1
1 1 1 11 ARG H 8.95 . 8.24 0.61 2.4445e-01 16150 1
1 1 1 11 ARG HA 4.53 . 4.3 0.46 6.1707e-01 16150 1
1 1 1 11 ARG HB2 1.60 . 1.79 0.27 4.8162e-01 16150 1
1 1 1 11 ARG HB3 1.73 . 1.76 0.28 9.1468e-01 16150 1
1 1 1 11 ARG HG2 1.41 . 1.57 0.27 5.5345e-01 16150 1
1 1 1 11 ARG HG3 1.65 . 1.54 0.29 7.0446e-01 16150 1
1 1 1 11 ARG HD2 3.20 . 3.12 0.24 7.3888e-01 16150 1
1 1 1 11 ARG HD3 3.20 . 3.1 0.26 7.0052e-01 16150 1
1 1 1 11 ARG HE 7.30 . 7.4 0.63 8.7388e-01 16150 1
1 1 1 11 ARG N 122.0 . 120.8 3.68 7.4436e-01 16150 1
1 1 1 11 ARG NE 109.4 A 84.63 1.68 3.3603e-49 16150 1
1 1 1 35 ARG CA 55.5 . 56.77 2.31 5.8247e-01 16150 1
1 1 1 35 ARG CB 32.4 . 30.7 1.83 3.5291e-01 16150 1
1 1 1 35 ARG CG 27.1 . 27.21 1.2 9.2696e-01 16150 1
1 1 1 35 ARG CD 43.0 . 43.16 0.88 8.5573e-01 16150 1
1 1 1 35 ARG H 8.14 . 8.24 0.61 8.6978e-01 16150 1
1 1 1 35 ARG HA 4.58 . 4.3 0.46 5.4273e-01 16150 1
1 1 1 35 ARG HB2 1.62 . 1.79 0.27 5.2894e-01 16150 1
1 1 1 35 ARG HB3 1.98 . 1.76 0.28 4.3204e-01 16150 1
1 1 1 35 ARG HG2 1.50 . 1.57 0.27 7.9544e-01 16150 1
1 1 1 35 ARG HG3 1.50 . 1.54 0.29 8.9030e-01 16150 1
1 1 1 35 ARG HD2 3.16 . 3.12 0.24 8.6763e-01 16150 1
1 1 1 35 ARG HD3 3.21 . 3.1 0.26 6.7224e-01 16150 1
1 1 1 35 ARG HE 7.21 . 7.4 0.63 7.6297e-01 16150 1
1 1 1 35 ARG N 114.6 . 120.8 3.68 9.2031e-02 16150 1
1 1 1 35 ARG NE 109.9 A 84.63 1.68 3.9157e-51 16150 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 11 ARG ARG 0.47 16150 1
1 1 1 11 ARG CYS 0.36 16150 1
1 1 1 11 ARG LYS 0.1 16150 1
1 1 1 11 ARG GLY 0.05 16150 1
1 1 1 35 ARG ARG 0.45 16150 1
1 1 1 35 ARG CYS 0.36 16150 1
1 1 1 35 ARG LYS 0.13 16150 1
1 1 1 35 ARG GLY 0.04 16150 1
stop_
save_
save_AVS
_Software.Sf_category software
_Software.Sf_framecode AVS
_Software.Entry_ID 16150
_Software.ID 1
_Software.Name "AutoPeak - validate_assignments"
_Software.Version 2011-12-10
_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 16150 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
"validate protein chemical shift assignments" 16150 1
stop_
loop_
_Software_citation.Citation_ID
_Software_citation.Citation_label
_Software_citation.Entry_ID
_Software_citation.Software_ID
2 $AVS_citation 16150 1
stop_
save_
save_AVS_citation
_Citation.Sf_category citation
_Citation.Sf_framecode AVS_citation
_Citation.Entry_ID 16150
_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_