data_AVS_bmrb_pdb_report_7093
save_AVS_chem_shift_analysis
_AVS_report.Sf_category AVS_report
_AVS_report.Sf_framecode AVS_chem_shift_analysis
_AVS_report.Entry_ID 7093
_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
7093 1 1 1 1 9 ARG 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
7093 1 1 1 1 9 ARG CA 59.979 . 56.95 2.41 2.0881e-01
7093 1 1 1 1 9 ARG CB 32.216 . 30.66 1.77 3.7935e-01
7093 1 1 1 1 9 ARG CG 28.036 . 27.31 1.65 6.5994e-01
7093 1 1 1 1 9 ARG CD 44.030 . 43.1 1.1 3.9786e-01
7093 1 1 1 1 9 ARG H 8.290 . 8.24 0.6 9.3359e-01
7093 1 1 1 1 9 ARG HA 3.828 . 4.27 0.44 3.1512e-01
7093 1 1 1 1 9 ARG HB2 1.887 . 1.79 0.28 7.2902e-01
7093 1 1 1 1 9 ARG HB3 1.822 . 1.78 0.28 8.8076e-01
7093 1 1 1 1 9 ARG HG2 1.642 . 1.58 0.27 8.1838e-01
7093 1 1 1 1 9 ARG HG3 1.293 . 1.58 0.27 2.8780e-01
7093 1 1 1 1 9 ARG HD2 2.883 . 3.13 0.23 2.8286e-01
7093 1 1 1 1 9 ARG HD3 2.610 . 3.13 0.22 1.8097e-02
7093 1 1 1 1 9 ARG HE 9.423 S 7.32 0.52 5.2495e-05
7093 1 1 1 1 9 ARG HH21 7.736 M 6.72 0.32 1.4984e-03
7093 1 1 1 1 9 ARG HH22 10.175 M 6.72 0.33 1.1902e-25
7093 1 1 1 1 9 ARG N 120.859 . 120.61 3.9 9.4909e-01
7093 1 1 1 1 9 ARG NE 84.925 . 89.8 12.83 7.0397e-01
7093 1 1 1 1 9 ARG NH2 76.511 . 75.84 11.44 9.5323e-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
7093 1 1 1 1 9 ARG CYS 0.42
7093 1 1 1 1 9 ARG ARG 0.3
7093 1 1 1 1 9 ARG GLY 0.21
7093 1 1 1 1 9 ARG LYS 0.06
stop_
save_
save_AVS
_Software.Sf_category software
_Software.Sf_framecode AVS
_Software.Entry_ID 7093
_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
7093 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
7093 1 "validate protein chemical shift assignments"
stop_
loop_
_Software_citation.Entry_ID
_Software_citation.Software_ID
_Software_citation.Citation_ID
_Software_citation.Citation_label
7093 1 2 $AVS_citation
stop_
save_
save_AVS_citation
_Citation.Sf_category citation
_Citation.Sf_framecode AVS_citation
_Citation.Entry_ID 7093
_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_