data_AVS_bmrb_pdb_report_25766 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25766 _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 35 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25766 1 1 1 1 99 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 25766 1 1 1 1 109 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25766 1 1 1 2 1 ZN UNSUPPORTED . . . . . . . 25766 1 1 1 3 1 HOH UNSUPPORTED . . . . . . . 25766 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 35 ARG C 179.734 . 176.41 2.03 1.0154e-01 25766 1 1 1 1 35 ARG CA 60.789 . 56.77 2.31 8.1890e-02 25766 1 1 1 1 35 ARG CB 30.898 . 30.7 1.83 9.1384e-01 25766 1 1 1 1 35 ARG CG 30.760 . 27.21 1.2 3.0931e-03 25766 1 1 1 1 35 ARG CD 43.652 . 43.16 0.88 5.7610e-01 25766 1 1 1 1 35 ARG H 7.739 . 8.24 0.61 4.1147e-01 25766 1 1 1 1 35 ARG HA 4.103 . 4.3 0.46 6.6846e-01 25766 1 1 1 1 35 ARG HB2 2.400 . 1.79 0.27 2.3867e-02 25766 1 1 1 1 35 ARG HB3 2.400 . 1.76 0.28 2.2271e-02 25766 1 1 1 1 35 ARG HG2 1.890 . 1.57 0.27 2.3594e-01 25766 1 1 1 1 35 ARG HG3 1.430 . 1.54 0.29 7.0446e-01 25766 1 1 1 1 35 ARG HD2 3.430 . 3.12 0.24 1.9647e-01 25766 1 1 1 1 35 ARG HD3 2.820 . 3.1 0.26 2.8151e-01 25766 1 1 1 1 35 ARG HE 8.840 . 7.4 0.63 2.2271e-02 25766 1 1 1 1 35 ARG N 119.679 . 120.8 3.68 7.6066e-01 25766 1 1 1 1 35 ARG NE 135.947 A 84.63 1.68 0.0000e+00 25766 1 1 1 1 99 ARG C 175.348 . 176.41 2.03 6.0087e-01 25766 1 1 1 1 99 ARG CA 57.587 . 56.77 2.31 7.2358e-01 25766 1 1 1 1 99 ARG CB 31.515 . 30.7 1.83 6.5606e-01 25766 1 1 1 1 99 ARG CG 26.700 . 27.21 1.2 6.7084e-01 25766 1 1 1 1 99 ARG CD 44.095 . 43.16 0.88 2.8801e-01 25766 1 1 1 1 99 ARG H 8.621 . 8.24 0.61 5.3224e-01 25766 1 1 1 1 99 ARG HA 4.390 . 4.3 0.46 8.4488e-01 25766 1 1 1 1 99 ARG HB2 1.284 . 1.79 0.27 6.0920e-02 25766 1 1 1 1 99 ARG HB3 1.284 . 1.76 0.28 8.9131e-02 25766 1 1 1 1 99 ARG HG2 1.461 . 1.57 0.27 6.8643e-01 25766 1 1 1 1 99 ARG HG3 1.640 . 1.54 0.29 7.3022e-01 25766 1 1 1 1 99 ARG HD2 2.909 . 3.12 0.24 3.7931e-01 25766 1 1 1 1 99 ARG HD3 1.644 S 3.1 0.26 2.1435e-08 25766 1 1 1 1 99 ARG HE 6.330 . 7.4 0.63 8.9430e-02 25766 1 1 1 1 99 ARG N 122.522 . 120.8 3.68 6.3983e-01 25766 1 1 1 1 99 ARG NE 137.431 A 84.63 1.68 0.0000e+00 25766 1 1 1 1 109 HIS C 173.023 . 175.25 1.97 2.5828e-01 25766 1 1 1 1 109 HIS CA 54.636 . 56.52 2.31 4.1474e-01 25766 1 1 1 1 109 HIS CB 33.695 . 30.24 2.07 9.5101e-02 25766 1 1 1 1 109 HIS CD2 118.389 . 120.49 3.42 5.3900e-01 25766 1 1 1 1 109 HIS CE1 137.756 . 137.71 2.12 9.8269e-01 25766 1 1 1 1 109 HIS H 7.259 . 8.24 0.68 1.4912e-01 25766 1 1 1 1 109 HIS HA 4.585 . 4.61 0.43 9.5364e-01 25766 1 1 1 1 109 HIS HB2 2.974 . 3.1 0.36 7.2634e-01 25766 1 1 1 1 109 HIS HB3 2.974 . 3.04 0.38 8.6211e-01 25766 1 1 1 1 109 HIS HD2 7.093 . 7 0.43 8.2877e-01 25766 1 1 1 1 109 HIS HE1 7.437 . 7.95 0.48 2.8518e-01 25766 1 1 1 1 109 HIS N 113.790 . 119.69 4 1.4021e-01 25766 1 1 1 1 109 HIS ND1 257.152 A 195.02 18.51 7.8887e-04 25766 1 1 1 1 109 HIS NE2 167.750 . 182.41 14.4 3.0865e-01 25766 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 35 ARG CYS 0.75 25766 1 1 1 1 35 ARG GLY 0.21 25766 1 1 1 1 35 ARG LYS 0.02 25766 1 1 1 1 35 ARG ARG 0.01 25766 1 1 1 1 99 ARG CYS 0.44 25766 1 1 1 1 99 ARG ARG 0.37 25766 1 1 1 1 99 ARG GLY 0.16 25766 1 1 1 1 99 ARG LYS 0.01 25766 1 1 1 1 109 HIS CYS 0.45 25766 1 1 1 1 109 HIS HIS 0.36 25766 1 1 1 1 109 HIS TRP 0.16 25766 1 1 1 1 109 HIS TYR 0.01 25766 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25766 _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 25766 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25766 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25766 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25766 _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_