data_AVS_bmrb_pdb_report_17771
save_AVS_chem_shift_analysis
_AVS_report.Sf_category AVS_report
_AVS_report.Sf_framecode AVS_chem_shift_analysis
_AVS_report.Entry_ID 17771
_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 2 11 ARG Anomalous Consistent Consistent Duplicate Duplicate Anomalous . . 17771 1
1 1 2 14 ARG Anomalous Consistent Consistent Duplicate Duplicate Anomalous . . 17771 1
1 1 2 20 ARG Anomalous Consistent Consistent Duplicate Duplicate Anomalous . . 17771 1
1 1 3 1 CA UNSUPPORTED . . . . . . . 17771 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 2 11 ARG C 179.042 D 176.41 2.03 1.9479e-01 17771 1
1 1 2 11 ARG CA 59.807 D 56.77 2.31 1.8860e-01 17771 1
1 1 2 11 ARG CB 29.979 D 30.7 1.83 6.9359e-01 17771 1
1 1 2 11 ARG CG 27.488 D 27.21 1.2 8.1680e-01 17771 1
1 1 2 11 ARG CD 43.299 D 43.16 0.88 8.7449e-01 17771 1
1 1 2 11 ARG H 7.864 D 8.24 0.61 5.3763e-01 17771 1
1 1 2 11 ARG HA 3.991 D 4.3 0.46 5.0175e-01 17771 1
1 1 2 11 ARG HB2 1.990 D 1.79 0.27 4.5885e-01 17771 1
1 1 2 11 ARG HB3 1.990 D 1.76 0.28 4.1140e-01 17771 1
1 1 2 11 ARG HG2 1.851 D 1.57 0.27 2.9800e-01 17771 1
1 1 2 11 ARG HG3 1.574 D 1.54 0.29 9.0667e-01 17771 1
1 1 2 11 ARG HD2 3.275 D 3.12 0.24 5.1839e-01 17771 1
1 1 2 11 ARG HD3 3.275 D 3.1 0.26 5.0090e-01 17771 1
1 1 2 11 ARG HE 7.660 . 7.4 0.63 6.7983e-01 17771 1
1 1 2 11 ARG N 116.666 D 120.8 3.68 2.6128e-01 17771 1
1 1 2 11 ARG NE 110.035 A 84.63 1.68 1.1592e-51 17771 1
1 1 2 14 ARG C 179.390 D 176.41 2.03 1.4211e-01 17771 1
1 1 2 14 ARG CA 59.681 D 56.77 2.31 2.0761e-01 17771 1
1 1 2 14 ARG CB 29.781 D 30.7 1.83 6.1554e-01 17771 1
1 1 2 14 ARG CG 27.987 D 27.21 1.2 5.1731e-01 17771 1
1 1 2 14 ARG CD 43.453 D 43.16 0.88 7.3917e-01 17771 1
1 1 2 14 ARG H 8.298 D 8.24 0.61 9.2425e-01 17771 1
1 1 2 14 ARG HA 4.133 D 4.3 0.46 7.1657e-01 17771 1
1 1 2 14 ARG HB2 2.042 D 1.79 0.27 3.5065e-01 17771 1
1 1 2 14 ARG HB3 1.925 D 1.76 0.28 5.5567e-01 17771 1
1 1 2 14 ARG HG2 1.571 D 1.57 0.27 9.9704e-01 17771 1
1 1 2 14 ARG HG3 1.571 D 1.54 0.29 9.1487e-01 17771 1
1 1 2 14 ARG HD2 3.142 D 3.12 0.24 9.2696e-01 17771 1
1 1 2 14 ARG HD3 3.142 D 3.1 0.26 8.7167e-01 17771 1
1 1 2 14 ARG HE 7.979 . 7.4 0.63 3.5807e-01 17771 1
1 1 2 14 ARG N 118.850 D 120.8 3.68 5.9619e-01 17771 1
1 1 2 14 ARG NE 110.851 A 84.63 1.68 6.4483e-55 17771 1
1 1 2 20 ARG C 178.791 D 176.41 2.03 2.4083e-01 17771 1
1 1 2 20 ARG CA 59.290 D 56.77 2.31 2.7531e-01 17771 1
1 1 2 20 ARG CB 29.119 D 30.7 1.83 3.8762e-01 17771 1
1 1 2 20 ARG CG 27.005 D 27.21 1.2 8.6435e-01 17771 1
1 1 2 20 ARG CD 42.480 D 43.16 0.88 4.3968e-01 17771 1
1 1 2 20 ARG H 8.486 D 8.24 0.61 6.8674e-01 17771 1
1 1 2 20 ARG HA 3.896 D 4.3 0.46 3.7980e-01 17771 1
1 1 2 20 ARG HB2 1.959 D 1.79 0.27 5.3136e-01 17771 1
1 1 2 20 ARG HB3 1.826 D 1.76 0.28 8.1365e-01 17771 1
1 1 2 20 ARG HG2 1.500 D 1.57 0.27 7.9544e-01 17771 1
1 1 2 20 ARG HG3 1.548 D 1.54 0.29 9.7799e-01 17771 1
1 1 2 20 ARG HD2 3.157 D 3.12 0.24 8.7748e-01 17771 1
1 1 2 20 ARG HD3 3.157 D 3.1 0.26 8.2647e-01 17771 1
1 1 2 20 ARG HE 7.733 D 7.4 0.63 5.9710e-01 17771 1
1 1 2 20 ARG N 119.307 D 120.8 3.68 6.8496e-01 17771 1
1 1 2 20 ARG NE 110.680 A 84.63 1.68 3.1619e-54 17771 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 2 11 ARG CYS 0.46 17771 1
1 1 2 11 ARG ARG 0.42 17771 1
1 1 2 11 ARG GLY 0.07 17771 1
1 1 2 11 ARG LYS 0.03 17771 1
1 1 2 14 ARG CYS 0.48 17771 1
1 1 2 14 ARG ARG 0.38 17771 1
1 1 2 14 ARG GLY 0.09 17771 1
1 1 2 14 ARG LYS 0.03 17771 1
1 1 2 20 ARG CYS 0.45 17771 1
1 1 2 20 ARG ARG 0.35 17771 1
1 1 2 20 ARG LYS 0.14 17771 1
1 1 2 20 ARG LEU 0.02 17771 1
1 1 2 20 ARG GLY 0.01 17771 1
stop_
save_
save_AVS
_Software.Sf_category software
_Software.Sf_framecode AVS
_Software.Entry_ID 17771
_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 17771 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
"validate protein chemical shift assignments" 17771 1
stop_
loop_
_Software_citation.Citation_ID
_Software_citation.Citation_label
_Software_citation.Entry_ID
_Software_citation.Software_ID
2 $AVS_citation 17771 1
stop_
save_
save_AVS_citation
_Citation.Sf_category citation
_Citation.Sf_framecode AVS_citation
_Citation.Entry_ID 17771
_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_