data_AVS_bmrb_pdb_report_34432 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 34432 _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 17 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 34432 1 1 1 1 22 ASN Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD21 > HA" 0.9966 34432 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 17 ARG CA 56.555 . 56.77 2.31 9.2585e-01 34432 1 1 1 1 17 ARG CB 31.960 . 30.7 1.83 4.9112e-01 34432 1 1 1 1 17 ARG CD 43.700 . 43.16 0.88 5.3946e-01 34432 1 1 1 1 17 ARG H 7.820 . 8.24 0.61 4.9112e-01 34432 1 1 1 1 17 ARG HA 4.358 . 4.3 0.46 8.9966e-01 34432 1 1 1 1 17 ARG HB2 1.723 . 1.79 0.27 8.0402e-01 34432 1 1 1 1 17 ARG HB3 1.920 . 1.76 0.28 5.6771e-01 34432 1 1 1 1 17 ARG HD2 2.982 . 3.12 0.24 5.6529e-01 34432 1 1 1 1 17 ARG HD3 2.827 . 3.1 0.26 2.9372e-01 34432 1 1 1 1 17 ARG HE 6.946 . 7.4 0.63 4.7113e-01 34432 1 1 1 1 17 ARG HH21 6.357 . 6.81 0.48 3.4530e-01 34432 1 1 1 1 17 ARG HH22 6.133 . 6.76 0.36 8.1567e-02 34432 1 1 1 1 17 ARG N 119.770 . 120.8 3.68 7.7956e-01 34432 1 1 1 1 17 ARG NH2 69.934 A 73.26 3.32 3.1644e-01 34432 1 1 1 1 22 ASN CA 50.690 . 53.54 1.88 1.2953e-01 34432 1 1 1 1 22 ASN CB 38.016 . 38.69 1.69 6.9003e-01 34432 1 1 1 1 22 ASN H 8.229 . 8.34 0.63 8.6014e-01 34432 1 1 1 1 22 ASN HA 4.349 . 4.67 0.36 3.7257e-01 34432 1 1 1 1 22 ASN HB2 -0.763 A 2.81 0.31 9.7792e-31 34432 1 1 1 1 22 ASN HB3 1.953 . 2.75 0.33 1.5729e-02 34432 1 1 1 1 22 ASN HD21 4.123 S 7.35 0.48 1.7812e-11 34432 1 1 1 1 22 ASN HD22 6.600 . 7.14 0.49 2.7044e-01 34432 1 1 1 1 22 ASN N 129.608 . 118.93 4.03 8.0580e-03 34432 1 1 1 1 22 ASN ND2 110.126 . 112.75 2.23 2.3932e-01 34432 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 17 ARG ARG 0.68 34432 1 1 1 1 17 ARG GLY 0.17 34432 1 1 1 1 17 ARG LYS 0.13 34432 1 1 1 1 22 ASN ASN 0.9 34432 1 1 1 1 22 ASN TYR 0.03 34432 1 1 1 1 22 ASN PHE 0.03 34432 1 1 1 1 22 ASN LEU 0.01 34432 1 1 1 1 22 ASN MET 0.01 34432 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 34432 _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 34432 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 34432 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 34432 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 34432 _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_