data_AVS_bmrb_pdb_report_11452
save_AVS_chem_shift_analysis
_AVS_report.Sf_category AVS_report
_AVS_report.Sf_framecode AVS_chem_shift_analysis
_AVS_report.Entry_ID 11452
_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 14 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 11452 1
1 1 1 17 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 11452 1
1 1 1 21 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 11452 1
1 1 1 40 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 11452 1
1 1 1 45 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 11452 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 14 ARG C 177.62 . 176.41 2.03 5.5114e-01 11452 1
1 1 1 14 ARG CA 58.03 . 56.77 2.31 5.8544e-01 11452 1
1 1 1 14 ARG CB 29.5 . 30.7 1.83 5.1199e-01 11452 1
1 1 1 14 ARG CG 26.87 . 27.21 1.2 7.7692e-01 11452 1
1 1 1 14 ARG H 7.89 . 8.24 0.61 5.6612e-01 11452 1
1 1 1 14 ARG HA 3.93 . 4.3 0.46 4.2120e-01 11452 1
1 1 1 14 ARG HB2 1.71 . 1.79 0.27 7.6700e-01 11452 1
1 1 1 14 ARG HB3 1.67 . 1.76 0.28 7.4789e-01 11452 1
1 1 1 14 ARG HG2 1.61 . 1.57 0.27 8.8223e-01 11452 1
1 1 1 14 ARG HG3 1.52 . 1.54 0.29 9.4502e-01 11452 1
1 1 1 14 ARG HD2 3.17 . 3.12 0.24 8.3497e-01 11452 1
1 1 1 14 ARG HE 7.15 . 7.4 0.63 6.9150e-01 11452 1
1 1 1 14 ARG N 122.8 . 120.8 3.68 5.8680e-01 11452 1
1 1 1 14 ARG NE 111.66 A 84.63 1.68 3.0332e-58 11452 1
1 1 1 17 ARG C 174.94 . 176.41 2.03 4.6898e-01 11452 1
1 1 1 17 ARG CA 56.04 . 56.77 2.31 7.5199e-01 11452 1
1 1 1 17 ARG CB 29.71 . 30.7 1.83 5.8852e-01 11452 1
1 1 1 17 ARG CG 26.83 . 27.21 1.2 7.5150e-01 11452 1
1 1 1 17 ARG H 8.87 . 8.24 0.61 3.0170e-01 11452 1
1 1 1 17 ARG HA 4.24 . 4.3 0.46 8.9622e-01 11452 1
1 1 1 17 ARG HB2 1.5 . 1.79 0.27 2.8279e-01 11452 1
1 1 1 17 ARG HB3 1.33 . 1.76 0.28 1.2461e-01 11452 1
1 1 1 17 ARG HG2 1.3 . 1.57 0.27 3.1731e-01 11452 1
1 1 1 17 ARG HG3 1.17 . 1.54 0.29 2.0200e-01 11452 1
1 1 1 17 ARG HD2 3.05 . 3.12 0.24 7.7054e-01 11452 1
1 1 1 17 ARG HD3 3.04 . 3.1 0.26 8.1749e-01 11452 1
1 1 1 17 ARG HE 7.04 . 7.4 0.63 5.6771e-01 11452 1
1 1 1 17 ARG N 128.32 . 120.8 3.68 4.1005e-02 11452 1
1 1 1 17 ARG NE 111.77 A 84.63 1.68 1.0512e-58 11452 1
1 1 1 21 ARG C 174.05 . 176.41 2.03 2.4501e-01 11452 1
1 1 1 21 ARG CA 54.28 . 56.77 2.31 2.8107e-01 11452 1
1 1 1 21 ARG CB 34.18 . 30.7 1.83 5.7218e-02 11452 1
1 1 1 21 ARG CG 26.44 . 27.21 1.2 5.2109e-01 11452 1
1 1 1 21 ARG CD 43.8 . 43.16 0.88 4.6706e-01 11452 1
1 1 1 21 ARG H 8.99 . 8.24 0.61 2.1888e-01 11452 1
1 1 1 21 ARG HA 4.79 . 4.3 0.46 2.8678e-01 11452 1
1 1 1 21 ARG HB2 1.83 . 1.79 0.27 8.8223e-01 11452 1
1 1 1 21 ARG HB3 1.76 . 1.76 0.28 1.0000e+00 11452 1
1 1 1 21 ARG HG2 1.53 . 1.57 0.27 8.8223e-01 11452 1
1 1 1 21 ARG HD2 3.12 . 3.12 0.24 1.0000e+00 11452 1
1 1 1 21 ARG HD3 3.06 . 3.1 0.26 8.7773e-01 11452 1
1 1 1 21 ARG HE 7.41 . 7.4 0.63 9.8734e-01 11452 1
1 1 1 21 ARG N 126.3 . 120.8 3.68 1.3503e-01 11452 1
1 1 1 21 ARG NE 112.13 A 84.63 1.68 3.1815e-60 11452 1
1 1 1 40 ARG C 174.57 . 176.41 2.03 3.6472e-01 11452 1
1 1 1 40 ARG CA 54.17 . 56.77 2.31 2.6036e-01 11452 1
1 1 1 40 ARG CB 33.75 . 30.7 1.83 9.5581e-02 11452 1
1 1 1 40 ARG CG 26.71 . 27.21 1.2 6.7692e-01 11452 1
1 1 1 40 ARG CD 43.71 . 43.16 0.88 5.3197e-01 11452 1
1 1 1 40 ARG H 9.01 . 8.24 0.61 2.0684e-01 11452 1
1 1 1 40 ARG HA 4.69 . 4.3 0.46 3.9654e-01 11452 1
1 1 1 40 ARG HB2 1.75 . 1.79 0.27 8.8223e-01 11452 1
1 1 1 40 ARG HG2 1.52 . 1.57 0.27 8.5308e-01 11452 1
1 1 1 40 ARG HD2 3.15 . 3.12 0.24 9.0052e-01 11452 1
1 1 1 40 ARG HE 7.29 . 7.4 0.63 8.6139e-01 11452 1
1 1 1 40 ARG HH11 7.14 . 6.91 0.46 6.1707e-01 11452 1
1 1 1 40 ARG N 119.19 . 120.8 3.68 6.6175e-01 11452 1
1 1 1 40 ARG NE 111.81 A 84.63 1.68 7.1433e-59 11452 1
1 1 1 45 ARG C 175.17 . 176.41 2.03 5.4131e-01 11452 1
1 1 1 45 ARG CA 58.63 . 56.77 2.31 4.2071e-01 11452 1
1 1 1 45 ARG CB 31.14 . 30.7 1.83 8.0999e-01 11452 1
1 1 1 45 ARG H 8.33 . 8.24 0.61 8.8271e-01 11452 1
1 1 1 45 ARG HA 3.9 . 4.3 0.46 3.8454e-01 11452 1
1 1 1 45 ARG HB2 1.55 . 1.79 0.27 3.7406e-01 11452 1
1 1 1 45 ARG HB3 1.39 . 1.76 0.28 1.8636e-01 11452 1
1 1 1 45 ARG HG2 1.17 . 1.57 0.27 1.3848e-01 11452 1
1 1 1 45 ARG HG3 1.11 . 1.54 0.29 1.3814e-01 11452 1
1 1 1 45 ARG HD2 2.8 . 3.12 0.24 1.8242e-01 11452 1
1 1 1 45 ARG HE 6.94 . 7.4 0.63 4.6529e-01 11452 1
1 1 1 45 ARG N 128.01 . 120.8 3.68 5.0085e-02 11452 1
1 1 1 45 ARG NE 112.3 A 84.63 1.68 6.0034e-61 11452 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 14 ARG CYS 0.43 11452 1
1 1 1 14 ARG ARG 0.41 11452 1
1 1 1 14 ARG LYS 0.15 11452 1
1 1 1 17 ARG ARG 0.47 11452 1
1 1 1 17 ARG CYS 0.36 11452 1
1 1 1 17 ARG LYS 0.15 11452 1
1 1 1 21 ARG CYS 0.47 11452 1
1 1 1 21 ARG GLY 0.25 11452 1
1 1 1 21 ARG ARG 0.22 11452 1
1 1 1 21 ARG LYS 0.05 11452 1
1 1 1 40 ARG CYS 0.42 11452 1
1 1 1 40 ARG ARG 0.31 11452 1
1 1 1 40 ARG GLY 0.2 11452 1
1 1 1 40 ARG LYS 0.04 11452 1
1 1 1 45 ARG CYS 0.23 11452 1
1 1 1 45 ARG ARG 0.17 11452 1
1 1 1 45 ARG GLU 0.16 11452 1
1 1 1 45 ARG HIS 0.14 11452 1
1 1 1 45 ARG LYS 0.11 11452 1
1 1 1 45 ARG GLN 0.08 11452 1
1 1 1 45 ARG VAL 0.06 11452 1
1 1 1 45 ARG ILE 0.01 11452 1
stop_
save_
save_AVS
_Software.Sf_category software
_Software.Sf_framecode AVS
_Software.Entry_ID 11452
_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 11452 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
"validate protein chemical shift assignments" 11452 1
stop_
loop_
_Software_citation.Citation_ID
_Software_citation.Citation_label
_Software_citation.Entry_ID
_Software_citation.Software_ID
2 $AVS_citation 11452 1
stop_
save_
save_AVS_citation
_Citation.Sf_category citation
_Citation.Sf_framecode AVS_citation
_Citation.Entry_ID 11452
_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_