data_AVS_bmrb_pdb_report_4925 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4925 _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 4925 1 1 1 1 12 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 4925 1 1 1 1 57 ASN Anomalous Indeterminable Consistent Consistent Indeterminable Anomalous . . 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 4925 1 1 1 1 12 ARG CA 59.13 . 56.95 2.41 3.6570e-01 4925 1 1 1 1 12 ARG H 8.042 . 8.24 0.6 7.4140e-01 4925 1 1 1 1 12 ARG HA 3.352 . 4.27 0.44 3.6946e-02 4925 1 1 1 1 12 ARG HB2 0.531 S 1.79 0.28 6.9104e-06 4925 1 1 1 1 12 ARG HB3 -0.197 M 1.78 0.28 1.6565e-12 4925 1 1 1 1 12 ARG HG2 1.126 . 1.58 0.27 9.2669e-02 4925 1 1 1 1 12 ARG HG3 0.048 S 1.58 0.27 1.3944e-08 4925 1 1 1 1 12 ARG HD2 2.07 S 3.13 0.23 4.0520e-06 4925 1 1 1 1 12 ARG HD3 1.7 S 3.13 0.22 8.0320e-11 4925 1 1 1 1 12 ARG N 120.7 . 120.61 3.9 9.8159e-01 4925 1 1 1 1 57 ASN H 7.197 . 8.37 0.65 7.1135e-02 4925 1 1 1 1 57 ASN HA 4.509 . 4.7 0.39 6.2432e-01 4925 1 1 1 1 57 ASN HB2 3.024 . 2.8 0.34 5.1001e-01 4925 1 1 1 1 57 ASN HB3 3.194 . 2.78 0.34 2.2336e-01 4925 1 1 1 1 57 ASN HD21 7.053 . 7.27 0.52 6.7645e-01 4925 1 1 1 1 57 ASN HD22 7.666 . 7.2 0.52 3.7017e-01 4925 1 1 1 1 57 ASN N 104.243 M 119.13 4.42 7.5688e-04 4925 1 1 1 1 57 ASN ND2 115.7 . 112.83 2.6 2.6966e-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 4925 1 1 1 1 12 ARG SER 0.12 4925 1 1 1 1 12 ARG PHE 0.11 4925 1 1 1 1 12 ARG TYR 0.1 4925 1 1 1 1 12 ARG CYS 0.09 4925 1 1 1 1 12 ARG TRP 0.09 4925 1 1 1 1 12 ARG GLU 0.06 4925 1 1 1 1 12 ARG ILE 0.05 4925 1 1 1 1 12 ARG ARG 0.05 4925 1 1 1 1 12 ARG LYS 0.04 4925 1 1 1 1 12 ARG VAL 0.04 4925 1 1 1 1 12 ARG THR 0.04 4925 1 1 1 1 12 ARG GLN 0.03 4925 1 1 1 1 12 ARG HIS 0.03 4925 1 1 1 1 12 ARG MET 0.03 4925 1 1 1 1 12 ARG LEU 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4925 _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 4925 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 4925 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4925 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4925 _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_