data_AVS_bmrb_pdb_report_10125
save_AVS_chem_shift_analysis
_AVS_report.Sf_category AVS_report
_AVS_report.Sf_framecode AVS_chem_shift_analysis
_AVS_report.Entry_ID 10125
_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
10125 1 1 1 1 51 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD3 > HB2" 0.9950
10125 1 1 1 1 51 ARG . . . . . . "HD3 > HB3" 0.9958
10125 1 1 1 1 51 ARG . . . . . . "HD3 > HG2" 0.9974
10125 1 1 1 1 51 ARG . . . . . . "HD3 > HG3" 0.9982
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
10125 1 1 1 1 51 ARG C 176.541 . 176.49 2.16 9.8116e-01
10125 1 1 1 1 51 ARG CA 53.975 . 56.95 2.41 2.1704e-01
10125 1 1 1 1 51 ARG CB 31.397 . 30.66 1.77 6.7713e-01
10125 1 1 1 1 51 ARG CG 25.324 . 27.31 1.65 2.2873e-01
10125 1 1 1 1 51 ARG CD 43.062 . 43.1 1.1 9.7244e-01
10125 1 1 1 1 51 ARG H 8.962 . 8.24 0.6 2.2885e-01
10125 1 1 1 1 51 ARG HA 4.879 . 4.27 0.44 1.6633e-01
10125 1 1 1 1 51 ARG HB2 1.500 . 1.79 0.28 3.0034e-01
10125 1 1 1 1 51 ARG HB3 1.658 . 1.78 0.28 6.6304e-01
10125 1 1 1 1 51 ARG HG2 1.310 . 1.58 0.27 3.1731e-01
10125 1 1 1 1 51 ARG HG3 1.310 . 1.58 0.27 3.1731e-01
10125 1 1 1 1 51 ARG HD2 2.180 S 3.13 0.23 3.6208e-05
10125 1 1 1 1 51 ARG HD3 0.855 M 3.13 0.22 4.6015e-25
10125 1 1 1 1 51 ARG HE 5.361 S 7.32 0.52 1.6502e-04
10125 1 1 1 1 51 ARG N 126.466 . 120.61 3.9 1.3322e-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
10125 1 1 1 1 51 ARG CYS 0.34
10125 1 1 1 1 51 ARG ARG 0.33
10125 1 1 1 1 51 ARG LYS 0.25
10125 1 1 1 1 51 ARG GLY 0.06
stop_
save_
save_AVS
_Software.Sf_category software
_Software.Sf_framecode AVS
_Software.Entry_ID 10125
_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
10125 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
10125 1 "validate protein chemical shift assignments"
stop_
loop_
_Software_citation.Entry_ID
_Software_citation.Software_ID
_Software_citation.Citation_ID
_Software_citation.Citation_label
10125 1 2 $AVS_citation
stop_
save_
save_AVS_citation
_Citation.Sf_category citation
_Citation.Sf_framecode AVS_citation
_Citation.Entry_ID 10125
_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_