data_AVS_bmrb_pdb_report_6459 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6459 _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 6459 1 1 1 1 13 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6459 1 1 1 1 24 ASN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6459 1 1 1 1 28 ARG Anomalous Suspicious Consistent Duplicate Anomalous Consistent . . 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 6459 1 1 1 1 13 ARG CA 51.937 . 56.95 2.41 3.7518e-02 6459 1 1 1 1 13 ARG CB 31.867 . 30.66 1.77 4.9529e-01 6459 1 1 1 1 13 ARG CG 26.040 . 27.31 1.65 4.4148e-01 6459 1 1 1 1 13 ARG CD 40.796 . 43.1 1.1 3.6211e-02 6459 1 1 1 1 13 ARG H 8.482 . 8.24 0.6 6.8670e-01 6459 1 1 1 1 13 ARG HA 4.235 D 4.27 0.44 9.3660e-01 6459 1 1 1 1 13 ARG HB2 1.148 D 1.79 0.28 2.1856e-02 6459 1 1 1 1 13 ARG HB3 -0.215 M 1.78 0.28 1.0408e-12 6459 1 1 1 1 13 ARG HG2 1.096 D 1.58 0.27 7.3038e-02 6459 1 1 1 1 13 ARG HG3 0.910 D 1.58 0.27 1.3084e-02 6459 1 1 1 1 13 ARG HD2 2.850 D 3.13 0.23 2.2346e-01 6459 1 1 1 1 13 ARG HD3 2.757 D 3.13 0.22 8.9989e-02 6459 1 1 1 1 13 ARG HE 6.791 . 7.32 0.52 3.0901e-01 6459 1 1 1 1 13 ARG N 127.810 . 120.61 3.9 6.4870e-02 6459 1 1 1 1 13 ARG NE 124.564 . 89.8 12.83 6.7367e-03 6459 1 1 1 1 24 ASN CA 48.662 . 53.43 1.94 1.3982e-02 6459 1 1 1 1 24 ASN CB 35.319 . 38.66 1.78 6.0523e-02 6459 1 1 1 1 24 ASN H 8.254 . 8.37 0.65 8.5836e-01 6459 1 1 1 1 24 ASN HA 4.176 D 4.7 0.39 1.7908e-01 6459 1 1 1 1 24 ASN HB2 2.048 D 2.8 0.34 2.6983e-02 6459 1 1 1 1 24 ASN HB3 -0.584 M 2.78 0.34 4.4149e-23 6459 1 1 1 1 24 ASN HD21 6.652 . 7.27 0.52 2.3465e-01 6459 1 1 1 1 24 ASN HD22 4.364 S 7.2 0.52 4.9292e-08 6459 1 1 1 1 24 ASN N 126.102 . 119.13 4.42 1.1471e-01 6459 1 1 1 1 24 ASN ND2 110.186 . 112.83 2.6 3.0919e-01 6459 1 1 1 1 28 ARG CA 55.454 . 56.95 2.41 5.3477e-01 6459 1 1 1 1 28 ARG CB 24.114 M 30.66 1.77 2.1704e-04 6459 1 1 1 1 28 ARG CG 25.739 . 27.31 1.65 3.4104e-01 6459 1 1 1 1 28 ARG CD 40.883 . 43.1 1.1 4.3857e-02 6459 1 1 1 1 28 ARG H 7.687 . 8.24 0.6 3.5670e-01 6459 1 1 1 1 28 ARG HA 3.582 D 4.27 0.44 1.1790e-01 6459 1 1 1 1 28 ARG HB2 1.902 D 1.79 0.28 6.8916e-01 6459 1 1 1 1 28 ARG HB3 1.727 D 1.78 0.28 8.4987e-01 6459 1 1 1 1 28 ARG HG2 1.248 D 1.58 0.27 2.1884e-01 6459 1 1 1 1 28 ARG HD2 2.955 D 3.13 0.23 4.4674e-01 6459 1 1 1 1 28 ARG HD3 2.898 D 3.13 0.22 2.9163e-01 6459 1 1 1 1 28 ARG HE 6.928 . 7.32 0.52 4.5094e-01 6459 1 1 1 1 28 ARG N 116.009 . 120.61 3.9 2.3810e-01 6459 1 1 1 1 28 ARG NE 124.564 . 89.8 12.83 6.7367e-03 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 6459 1 1 1 1 13 ARG LYS 0.76 6459 1 1 1 1 13 ARG ARG 0.22 6459 1 1 1 1 24 ASN PRO 0.4 6459 1 1 1 1 24 ASN GLY 0.34 6459 1 1 1 1 24 ASN ASN 0.15 6459 1 1 1 1 24 ASN MET 0.05 6459 1 1 1 1 24 ASN LYS 0.01 6459 1 1 1 1 28 ARG LEU 0.83 6459 1 1 1 1 28 ARG LYS 0.15 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6459 _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 6459 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 6459 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6459 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6459 _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_