data_AVS_bmrb_pdb_report_19834 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19834 _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 2 SER Anomalous Consistent Consistent Anomalous Consistent Consistent . . 19834 1 1 1 1 6 TYR Anomalous Consistent Consistent Anomalous Consistent Consistent . . 19834 1 1 1 1 15 TYR Anomalous Consistent Consistent Anomalous Consistent Consistent . . 19834 1 1 1 1 178 LYS Anomalous Consistent Consistent Unknown Consistent Anomalous . . 19834 1 1 1 1 181 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19834 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 2 SER C 173.682 . 174.62 1.72 5.8551e-01 19834 1 1 1 1 2 SER CA 58.139 . 58.72 2.07 7.7896e-01 19834 1 1 1 1 2 SER CB 64.156 . 63.8 1.48 8.0991e-01 19834 1 1 1 1 2 SER H 8.128 . 8.28 0.59 7.9669e-01 19834 1 1 1 1 2 SER HA 4.699 . 4.48 0.4 5.8404e-01 19834 1 1 1 1 2 SER HB2 5.321 S 3.88 0.25 8.2143e-09 19834 1 1 1 1 2 SER HB3 5.289 A 3.85 0.27 9.8413e-08 19834 1 1 1 1 2 SER HG 1.658 S 5.36 1.03 3.2542e-04 19834 1 1 1 1 2 SER N 110.845 . 116.28 3.52 1.2258e-01 19834 1 1 1 1 6 TYR CA 63.733 . 58.13 2.51 2.5597e-02 19834 1 1 1 1 6 TYR H 7.513 . 8.32 0.73 2.6895e-01 19834 1 1 1 1 6 TYR HA 4.147 . 4.63 0.56 3.8841e-01 19834 1 1 1 1 6 TYR HB2 2.043 . 2.91 0.37 1.9117e-02 19834 1 1 1 1 6 TYR HB3 2.119 . 2.84 0.39 6.4499e-02 19834 1 1 1 1 6 TYR HD1 9.154 A 6.93 0.3 1.2316e-13 19834 1 1 1 1 6 TYR HD2 9.154 A 6.93 0.3 1.2316e-13 19834 1 1 1 1 6 TYR HE1 7.763 S 6.7 0.23 3.8054e-06 19834 1 1 1 1 6 TYR HE2 7.763 S 6.71 0.23 4.6886e-06 19834 1 1 1 1 6 TYR N 109.451 . 120.52 4.2 8.4019e-03 19834 1 1 1 1 15 TYR C 173.670 . 175.4 1.99 3.8466e-01 19834 1 1 1 1 15 TYR CA 57.443 . 58.13 2.51 7.8431e-01 19834 1 1 1 1 15 TYR CB 39.710 . 39.32 2.16 8.5672e-01 19834 1 1 1 1 15 TYR H 7.966 . 8.32 0.73 6.2772e-01 19834 1 1 1 1 15 TYR HA 5.086 . 4.63 0.56 4.1548e-01 19834 1 1 1 1 15 TYR HB2 2.808 . 2.91 0.37 7.8280e-01 19834 1 1 1 1 15 TYR HB3 2.629 . 2.84 0.39 5.8849e-01 19834 1 1 1 1 15 TYR HD1 8.607 A 6.93 0.3 2.2707e-08 19834 1 1 1 1 15 TYR HD2 8.607 A 6.93 0.3 2.2707e-08 19834 1 1 1 1 15 TYR HE1 7.142 . 6.7 0.23 5.4639e-02 19834 1 1 1 1 15 TYR HE2 7.142 . 6.71 0.23 6.0346e-02 19834 1 1 1 1 15 TYR N 113.244 . 120.52 4.2 8.3206e-02 19834 1 1 1 1 178 LYS C 177.062 . 176.64 2 8.3289e-01 19834 1 1 1 1 178 LYS CA 62.518 . 56.95 2.2 1.1377e-02 19834 1 1 1 1 178 LYS CB 32.334 . 32.79 1.78 7.9781e-01 19834 1 1 1 1 178 LYS H 8.835 . 8.19 0.6 2.8237e-01 19834 1 1 1 1 178 LYS HA 5.585 . 4.27 0.44 2.8023e-03 19834 1 1 1 1 178 LYS HB2 2.487 . 1.78 0.25 4.6840e-03 19834 1 1 1 1 178 LYS HB3 2.487 . 1.74 0.27 5.6633e-03 19834 1 1 1 1 178 LYS HE2 3.513 . 2.92 0.19 1.8021e-03 19834 1 1 1 1 178 LYS HE3 3.513 . 2.91 0.2 2.5698e-03 19834 1 1 1 1 178 LYS HZ1 8.320 U . 0 . 19834 1 1 1 1 178 LYS HZ2 8.320 U . 0 . 19834 1 1 1 1 178 LYS HZ3 8.320 U . 0 . 19834 1 1 1 1 178 LYS N 123.684 . 121.05 3.77 4.8476e-01 19834 1 1 1 1 178 LYS NZ 71.562 A 33.81 2.81 3.7770e-41 19834 1 1 1 1 181 ARG CA 62.958 . 56.77 2.31 7.3889e-03 19834 1 1 1 1 181 ARG H 8.524 . 8.24 0.61 6.4152e-01 19834 1 1 1 1 181 ARG HA 4.540 . 4.3 0.46 6.0185e-01 19834 1 1 1 1 181 ARG HB2 2.032 . 1.79 0.27 3.7009e-01 19834 1 1 1 1 181 ARG HB3 1.899 . 1.76 0.28 6.1959e-01 19834 1 1 1 1 181 ARG HG2 2.303 . 1.57 0.27 6.6313e-03 19834 1 1 1 1 181 ARG HG3 2.303 . 1.54 0.29 8.5125e-03 19834 1 1 1 1 181 ARG HE 7.593 . 7.4 0.63 7.5934e-01 19834 1 1 1 1 181 ARG N 110.386 . 120.8 3.68 4.6564e-03 19834 1 1 1 1 181 ARG NE 111.898 A 84.63 1.68 3.0469e-59 19834 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 2 SER SER 0.99 19834 1 1 1 1 6 TYR SER 0.26 19834 1 1 1 1 6 TYR PRO 0.22 19834 1 1 1 1 6 TYR VAL 0.18 19834 1 1 1 1 6 TYR THR 0.15 19834 1 1 1 1 6 TYR ILE 0.11 19834 1 1 1 1 6 TYR CYS 0.02 19834 1 1 1 1 15 TYR PHE 0.28 19834 1 1 1 1 15 TYR TYR 0.28 19834 1 1 1 1 15 TYR CYS 0.14 19834 1 1 1 1 15 TYR ASP 0.09 19834 1 1 1 1 15 TYR LEU 0.07 19834 1 1 1 1 15 TYR ILE 0.07 19834 1 1 1 1 15 TYR ASN 0.02 19834 1 1 1 1 178 LYS VAL 0.39 19834 1 1 1 1 178 LYS PRO 0.32 19834 1 1 1 1 178 LYS CYS 0.18 19834 1 1 1 1 178 LYS TRP 0.03 19834 1 1 1 1 178 LYS LYS 0.01 19834 1 1 1 1 178 LYS ARG 0.01 19834 1 1 1 1 181 ARG VAL 0.21 19834 1 1 1 1 181 ARG PRO 0.2 19834 1 1 1 1 181 ARG THR 0.19 19834 1 1 1 1 181 ARG ILE 0.15 19834 1 1 1 1 181 ARG SER 0.14 19834 1 1 1 1 181 ARG CYS 0.04 19834 1 1 1 1 181 ARG PHE 0.01 19834 1 1 1 1 181 ARG TYR 0.01 19834 1 1 1 1 181 ARG TRP 0.01 19834 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19834 _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 19834 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19834 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19834 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19834 _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_