data_AVS_bmrb_pdb_report_6384
save_AVS_chem_shift_analysis
_AVS_report.Sf_category AVS_report
_AVS_report.Sf_framecode AVS_chem_shift_analysis
_AVS_report.Entry_ID 6384
_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 9 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6384 1
1 1 1 21 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6384 1
1 1 1 46 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6384 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 9 ARG CA 55.755 . 56.77 2.31 6.6038e-01 6384 1
1 1 1 9 ARG CB 30.961 . 30.7 1.83 8.8659e-01 6384 1
1 1 1 9 ARG CG 26.854 . 27.21 1.2 7.6672e-01 6384 1
1 1 1 9 ARG CD 43.008 . 43.16 0.88 8.6287e-01 6384 1
1 1 1 9 ARG H 8.301 . 8.24 0.61 9.2034e-01 6384 1
1 1 1 9 ARG HA 4.513 . 4.3 0.46 6.4333e-01 6384 1
1 1 1 9 ARG HB2 1.739 . 1.79 0.27 8.5018e-01 6384 1
1 1 1 9 ARG HB3 2.024 . 1.76 0.28 3.4575e-01 6384 1
1 1 1 9 ARG HG2 1.655 . 1.57 0.27 7.5290e-01 6384 1
1 1 1 9 ARG HD2 3.226 . 3.12 0.24 6.5873e-01 6384 1
1 1 1 9 ARG HE 7.458 . 7.4 0.63 9.2665e-01 6384 1
1 1 1 9 ARG N 121.853 . 120.8 3.68 7.7477e-01 6384 1
1 1 1 9 ARG NE 126.596 A 84.63 1.68 0.0000e+00 6384 1
1 1 1 21 ARG CA 56.160 . 56.77 2.31 7.9173e-01 6384 1
1 1 1 21 ARG CB 25.996 . 30.7 1.83 1.0155e-02 6384 1
1 1 1 21 ARG CG 27.037 . 27.21 1.2 8.8537e-01 6384 1
1 1 1 21 ARG CD 43.737 . 43.16 0.88 5.1203e-01 6384 1
1 1 1 21 ARG H 8.028 . 8.24 0.61 7.2818e-01 6384 1
1 1 1 21 ARG HA 3.554 . 4.3 0.46 1.0486e-01 6384 1
1 1 1 21 ARG HB2 1.801 . 1.79 0.27 9.6750e-01 6384 1
1 1 1 21 ARG HB3 2.087 . 1.76 0.28 2.4286e-01 6384 1
1 1 1 21 ARG HG2 1.520 . 1.57 0.27 8.5308e-01 6384 1
1 1 1 21 ARG HD2 3.208 . 3.12 0.24 7.1387e-01 6384 1
1 1 1 21 ARG HE 7.197 . 7.4 0.63 7.4728e-01 6384 1
1 1 1 21 ARG N 115.788 . 120.8 3.68 1.7321e-01 6384 1
1 1 1 21 ARG NE 127.362 A 84.63 1.68 0.0000e+00 6384 1
1 1 1 46 ARG CA 57.034 . 56.77 2.31 9.0901e-01 6384 1
1 1 1 46 ARG CB 31.312 . 30.7 1.83 7.3806e-01 6384 1
1 1 1 46 ARG CD 43.261 . 43.16 0.88 9.0863e-01 6384 1
1 1 1 46 ARG H 7.777 . 8.24 0.61 4.4784e-01 6384 1
1 1 1 46 ARG HA 4.135 . 4.3 0.46 7.1982e-01 6384 1
1 1 1 46 ARG HB2 1.698 . 1.79 0.27 7.3330e-01 6384 1
1 1 1 46 ARG HB3 1.820 . 1.76 0.28 8.3032e-01 6384 1
1 1 1 46 ARG HG2 1.539 . 1.57 0.27 9.0859e-01 6384 1
1 1 1 46 ARG HD2 3.141 . 3.12 0.24 9.3027e-01 6384 1
1 1 1 46 ARG HE 7.225 . 7.4 0.63 7.8118e-01 6384 1
1 1 1 46 ARG N 126.142 . 120.8 3.68 1.4660e-01 6384 1
1 1 1 46 ARG NE 127.104 A 84.63 1.68 0.0000e+00 6384 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 9 ARG ARG 0.49 6384 1
1 1 1 9 ARG CYS 0.36 6384 1
1 1 1 9 ARG LYS 0.09 6384 1
1 1 1 9 ARG GLY 0.04 6384 1
1 1 1 21 ARG LEU 0.47 6384 1
1 1 1 21 ARG CYS 0.29 6384 1
1 1 1 21 ARG GLY 0.12 6384 1
1 1 1 21 ARG ARG 0.07 6384 1
1 1 1 21 ARG LYS 0.02 6384 1
1 1 1 46 ARG ARG 0.42 6384 1
1 1 1 46 ARG CYS 0.38 6384 1
1 1 1 46 ARG LYS 0.13 6384 1
1 1 1 46 ARG GLY 0.05 6384 1
stop_
save_
save_AVS
_Software.Sf_category software
_Software.Sf_framecode AVS
_Software.Entry_ID 6384
_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
6384
1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
"validate protein chemical shift assignments" 6384 1
stop_
loop_
_Software_citation.Citation_ID
_Software_citation.Citation_label
_Software_citation.Entry_ID
_Software_citation.Software_ID
2 $AVS_citation 6384 1
stop_
save_
save_AVS_citation
_Citation.Sf_category citation
_Citation.Sf_framecode AVS_citation
_Citation.Entry_ID 6384
_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_