data_AVS_bmrb_pdb_report_10253 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10253 _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 10 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD3 > HB2" 0.9950 10253 1 1 1 1 14 VAL Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10253 1 1 1 1 75 HIS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 10253 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 10 ARG C 172.501 . 176.49 2.16 6.4782e-02 10253 1 1 1 1 10 ARG CA 56.165 . 56.95 2.41 7.4463e-01 10253 1 1 1 1 10 ARG CB 32.442 . 30.66 1.77 3.1404e-01 10253 1 1 1 1 10 ARG CG 28.116 . 27.31 1.65 6.2521e-01 10253 1 1 1 1 10 ARG CD 43.492 . 43.1 1.1 7.2157e-01 10253 1 1 1 1 10 ARG H 7.512 . 8.24 0.6 2.2500e-01 10253 1 1 1 1 10 ARG HA 4.199 . 4.27 0.44 8.7181e-01 10253 1 1 1 1 10 ARG HB2 1.263 . 1.79 0.28 5.9817e-02 10253 1 1 1 1 10 ARG HB3 0.694 S 1.78 0.28 1.0507e-04 10253 1 1 1 1 10 ARG HG2 0.184 S 1.58 0.27 2.3363e-07 10253 1 1 1 1 10 ARG HG3 1.052 . 1.58 0.27 5.0518e-02 10253 1 1 1 1 10 ARG HD2 2.253 S 3.13 0.23 1.3727e-04 10253 1 1 1 1 10 ARG HD3 1.093 A 3.13 0.22 2.0618e-20 10253 1 1 1 1 10 ARG N 117.979 . 120.61 3.9 4.9992e-01 10253 1 1 1 1 14 VAL C 174.981 . 175.69 2.03 7.2689e-01 10253 1 1 1 1 14 VAL CA 61.741 . 62.48 3.04 8.0793e-01 10253 1 1 1 1 14 VAL CB 35.143 . 32.66 1.91 1.9360e-01 10253 1 1 1 1 14 VAL CG1 21.943 . 21.38 1.53 7.1289e-01 10253 1 1 1 1 14 VAL CG2 20.763 . 21.31 1.76 7.5596e-01 10253 1 1 1 1 14 VAL H 9.179 . 8.29 0.71 2.1053e-01 10253 1 1 1 1 14 VAL HA 4.072 . 4.16 0.57 8.7731e-01 10253 1 1 1 1 14 VAL HB -0.619 A 1.99 0.33 2.6566e-15 10253 1 1 1 1 14 VAL HG11 -0.667 S 0.84 0.27 2.3848e-08 10253 1 1 1 1 14 VAL HG12 -0.667 S 0.84 0.27 2.3848e-08 10253 1 1 1 1 14 VAL HG13 -0.667 S 0.84 0.27 2.3848e-08 10253 1 1 1 1 14 VAL HG21 -0.756 S 0.83 0.29 4.5267e-08 10253 1 1 1 1 14 VAL HG22 -0.756 S 0.83 0.29 4.5267e-08 10253 1 1 1 1 14 VAL HG23 -0.756 S 0.83 0.29 4.5267e-08 10253 1 1 1 1 14 VAL N 125.476 . 121.02 4.96 3.6898e-01 10253 1 1 1 1 75 HIS C 172.562 . 175.19 2.14 2.1943e-01 10253 1 1 1 1 75 HIS CA 54.336 . 56.37 2.4 3.9672e-01 10253 1 1 1 1 75 HIS CB 30.956 . 29.95 2.15 6.3985e-01 10253 1 1 1 1 75 HIS CD2 116.599 . 119.84 3.3 3.2604e-01 10253 1 1 1 1 75 HIS CE1 142.401 A 136.05 3.58 7.6060e-02 10253 1 1 1 1 75 HIS H 8.025 . 8.25 0.74 7.6109e-01 10253 1 1 1 1 75 HIS HA 5.047 . 4.62 0.51 4.0245e-01 10253 1 1 1 1 75 HIS HB2 3.073 . 3.12 0.43 9.1296e-01 10253 1 1 1 1 75 HIS HB3 2.910 . 3.11 0.45 6.5672e-01 10253 1 1 1 1 75 HIS HD2 6.813 . 7.08 0.5 5.9334e-01 10253 1 1 1 1 75 HIS HE1 7.365 . 8.08 0.57 2.0970e-01 10253 1 1 1 1 75 HIS N 116.198 . 119.44 4.52 4.7322e-01 10253 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 10 ARG CYS 0.37 10253 1 1 1 1 10 ARG ARG 0.34 10253 1 1 1 1 10 ARG LYS 0.2 10253 1 1 1 1 10 ARG GLY 0.08 10253 1 1 1 1 14 VAL VAL 0.61 10253 1 1 1 1 14 VAL CYS 0.37 10253 1 1 1 1 75 HIS CYS 0.64 10253 1 1 1 1 75 HIS HIS 0.3 10253 1 1 1 1 75 HIS TRP 0.04 10253 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10253 _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.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 10253 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 10253 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 10253 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10253 _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_