data_AVS_bmrb_pdb_report_5682 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5682 _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 5682 1 1 1 1 23 PRO Anomalous Consistent Consistent Consistent Anomalous Indeterminable . . 5682 1 1 1 1 34 ARG Anomalous Consistent Consistent Consistent 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 5682 1 1 1 1 23 PRO C 170.5 M 176.7 1.69 2.4385e-04 5682 1 1 1 1 23 PRO CA 63.3 . 63.3 1.64 1.0000e+00 5682 1 1 1 1 23 PRO CB 32.6 . 31.81 1.54 6.0796e-01 5682 1 1 1 1 23 PRO CG 27.0 . 27.14 1.18 9.0556e-01 5682 1 1 1 1 23 PRO CD 49.8 . 50.28 1.04 6.4441e-01 5682 1 1 1 1 23 PRO HA 4.63 . 4.41 0.36 5.4113e-01 5682 1 1 1 1 23 PRO HB2 2.33 . 2.05 0.39 4.7279e-01 5682 1 1 1 1 23 PRO HB3 2.47 . 2.05 0.39 2.8151e-01 5682 1 1 1 1 23 PRO HG2 1.74 . 1.93 0.36 5.9765e-01 5682 1 1 1 1 23 PRO HG3 1.74 . 1.92 0.37 6.2662e-01 5682 1 1 1 1 23 PRO HD2 3.30 . 3.64 0.36 3.4494e-01 5682 1 1 1 1 23 PRO HD3 3.62 . 3.63 0.4 9.8006e-01 5682 1 1 1 1 34 ARG C 176.6 . 176.49 2.16 9.5938e-01 5682 1 1 1 1 34 ARG CA 56.5 . 56.95 2.41 8.5188e-01 5682 1 1 1 1 34 ARG CB 30.7 . 30.66 1.77 9.8197e-01 5682 1 1 1 1 34 ARG CG 27.4 . 27.31 1.65 9.5650e-01 5682 1 1 1 1 34 ARG CD 44.0 . 43.1 1.1 4.1325e-01 5682 1 1 1 1 34 ARG CZ 156.6 M 159.01 0.87 5.6037e-03 5682 1 1 1 1 34 ARG H 8.54 . 8.24 0.6 6.1707e-01 5682 1 1 1 1 34 ARG HA 4.26 . 4.27 0.44 9.8187e-01 5682 1 1 1 1 34 ARG HB2 1.88 . 1.79 0.28 7.4789e-01 5682 1 1 1 1 34 ARG HB3 2.01 . 1.78 0.28 4.1140e-01 5682 1 1 1 1 34 ARG HG2 1.64 . 1.58 0.27 8.2414e-01 5682 1 1 1 1 34 ARG HG3 1.64 . 1.58 0.27 8.2414e-01 5682 1 1 1 1 34 ARG HD2 3.17 . 3.13 0.23 8.6193e-01 5682 1 1 1 1 34 ARG HD3 3.31 . 3.13 0.22 4.1325e-01 5682 1 1 1 1 34 ARG HE 7.24 . 7.32 0.52 8.7773e-01 5682 1 1 1 1 34 ARG N 124.7 . 120.61 3.9 2.9431e-01 5682 1 1 1 1 34 ARG NE 110.8 . 89.8 12.83 1.0167e-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 5682 1 1 1 1 23 PRO PRO 0.81 5682 1 1 1 1 23 PRO CYS 0.18 5682 1 1 1 1 34 ARG CYS 0.63 5682 1 1 1 1 34 ARG GLY 0.26 5682 1 1 1 1 34 ARG ARG 0.1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5682 _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 5682 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 5682 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5682 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5682 _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_