data_AVS_bmrb_pdb_report_5570
save_AVS_chem_shift_analysis
_AVS_report.Sf_category AVS_report
_AVS_report.Sf_framecode AVS_chem_shift_analysis
_AVS_report.Entry_ID 5570
_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
5570 1 1 1 1 42 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . .
5570 1 1 1 1 116 MET Anomalous Consistent Consistent Anomalous Consistent 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
5570 1 1 1 1 42 ARG C 175.8 . 176.49 2.16 7.4939e-01
5570 1 1 1 1 42 ARG CA 54.6 . 56.95 2.41 3.2951e-01
5570 1 1 1 1 42 ARG CB 35.2 . 30.66 1.77 1.0318e-02
5570 1 1 1 1 42 ARG CG 27.0 . 27.31 1.65 8.5097e-01
5570 1 1 1 1 42 ARG CD 44.5 . 43.1 1.1 2.0311e-01
5570 1 1 1 1 42 ARG H 9.39 . 8.24 0.6 5.5280e-02
5570 1 1 1 1 42 ARG HA 6.04 M 4.27 0.44 5.7528e-05
5570 1 1 1 1 42 ARG HB2 1.74 . 1.79 0.28 8.5827e-01
5570 1 1 1 1 42 ARG HB3 1.56 . 1.78 0.28 4.3204e-01
5570 1 1 1 1 42 ARG N 127.4 . 120.61 3.9 8.1679e-02
5570 1 1 1 1 116 MET C 175.3 . 176.3 2.13 6.3872e-01
5570 1 1 1 1 116 MET CA 55.1 . 56.16 2.34 6.5055e-01
5570 1 1 1 1 116 MET CB 37.7 . 32.9 2.23 3.1361e-02
5570 1 1 1 1 116 MET CG 30.7 . 32.07 1.45 3.4475e-01
5570 1 1 1 1 116 MET CE 16.7 . 17.21 3.42 8.8146e-01
5570 1 1 1 1 116 MET H 8.49 . 8.26 0.6 7.0147e-01
5570 1 1 1 1 116 MET HA 6.35 M 4.39 0.46 2.0363e-05
5570 1 1 1 1 116 MET HB2 2.31 . 2.03 0.38 4.6122e-01
5570 1 1 1 1 116 MET HB3 1.56 . 2.01 0.36 2.1130e-01
5570 1 1 1 1 116 MET HG2 2.62 . 2.44 0.36 6.1707e-01
5570 1 1 1 1 116 MET HG3 2.18 . 2.41 0.4 5.6529e-01
5570 1 1 1 1 116 MET HE 1.93 . 1.86 0.47 8.8160e-01
5570 1 1 1 1 116 MET N 113.2 . 120.1 3.88 7.5346e-02
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
5570 1 1 1 1 42 ARG CYS 0.52
5570 1 1 1 1 42 ARG GLY 0.41
5570 1 1 1 1 42 ARG ARG 0.04
5570 1 1 1 1 42 ARG LYS 0.01
5570 1 1 1 1 116 MET CYS 0.51
5570 1 1 1 1 116 MET ALA 0.23
5570 1 1 1 1 116 MET MET 0.16
5570 1 1 1 1 116 MET ILE 0.08
stop_
save_
save_AVS
_Software.Sf_category software
_Software.Sf_framecode AVS
_Software.Entry_ID 5570
_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
5570 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
5570 1 "validate protein chemical shift assignments"
stop_
loop_
_Software_citation.Entry_ID
_Software_citation.Software_ID
_Software_citation.Citation_ID
_Software_citation.Citation_label
5570 1 2 $AVS_citation
stop_
save_
save_AVS_citation
_Citation.Sf_category citation
_Citation.Sf_framecode AVS_citation
_Citation.Entry_ID 5570
_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_