data_AVS_bmrb_pdb_report_5762 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5762 _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 . . 5762 1 1 1 1 55 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 5762 1 1 1 1 61 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 5762 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 CA 55.811 . 56.77 2.31 6.7803e-01 5762 1 1 1 1 35 ARG CB 30.970 . 30.7 1.83 8.8271e-01 5762 1 1 1 1 35 ARG CG 27.017 . 27.21 1.2 8.7222e-01 5762 1 1 1 1 35 ARG CD 43.257 . 43.16 0.88 9.1223e-01 5762 1 1 1 1 35 ARG H 8.332 . 8.24 0.61 8.8012e-01 5762 1 1 1 1 35 ARG HA 4.360 . 4.3 0.46 8.9622e-01 5762 1 1 1 1 35 ARG HB2 1.745 . 1.79 0.27 8.6763e-01 5762 1 1 1 1 35 ARG HB3 1.671 . 1.76 0.28 7.5059e-01 5762 1 1 1 1 35 ARG HG2 1.527 . 1.57 0.27 8.7346e-01 5762 1 1 1 1 35 ARG HG3 1.527 . 1.54 0.29 9.6424e-01 5762 1 1 1 1 35 ARG HD2 3.073 . 3.12 0.24 8.4474e-01 5762 1 1 1 1 35 ARG HD3 3.073 . 3.1 0.26 9.1729e-01 5762 1 1 1 1 35 ARG HE 8.876 . 7.4 0.63 1.9137e-02 5762 1 1 1 1 35 ARG N 123.964 . 120.8 3.68 3.8991e-01 5762 1 1 1 1 35 ARG NE 124.493 A 84.63 1.68 0.0000e+00 5762 1 1 1 1 55 ARG CA 58.197 . 56.77 2.31 5.3674e-01 5762 1 1 1 1 55 ARG CB 33.124 . 30.7 1.83 1.8531e-01 5762 1 1 1 1 55 ARG CG 27.571 . 27.21 1.2 7.6354e-01 5762 1 1 1 1 55 ARG CD 44.021 . 43.16 0.88 3.2787e-01 5762 1 1 1 1 55 ARG H 7.954 . 8.24 0.61 6.3917e-01 5762 1 1 1 1 55 ARG HA 4.272 . 4.3 0.46 9.5146e-01 5762 1 1 1 1 55 ARG HB2 2.060 . 1.79 0.27 3.1731e-01 5762 1 1 1 1 55 ARG HB3 2.060 . 1.76 0.28 2.8398e-01 5762 1 1 1 1 55 ARG HG2 1.718 . 1.57 0.27 5.8359e-01 5762 1 1 1 1 55 ARG HG3 1.669 . 1.54 0.29 6.5644e-01 5762 1 1 1 1 55 ARG HD2 3.414 . 3.12 0.24 2.2058e-01 5762 1 1 1 1 55 ARG HD3 3.157 . 3.1 0.26 8.2647e-01 5762 1 1 1 1 55 ARG HE 8.806 . 7.4 0.63 2.5632e-02 5762 1 1 1 1 55 ARG N 117.849 . 120.8 3.68 4.2261e-01 5762 1 1 1 1 55 ARG NE 116.705 A 84.63 1.68 2.9281e-81 5762 1 1 1 1 61 ARG CA 54.757 . 56.77 2.31 3.8352e-01 5762 1 1 1 1 61 ARG CB 33.789 . 30.7 1.83 9.1415e-02 5762 1 1 1 1 61 ARG CG 28.017 . 27.21 1.2 5.0127e-01 5762 1 1 1 1 61 ARG CD 44.162 . 43.16 0.88 2.5485e-01 5762 1 1 1 1 61 ARG H 8.950 . 8.24 0.61 2.4445e-01 5762 1 1 1 1 61 ARG HA 4.488 . 4.3 0.46 6.8276e-01 5762 1 1 1 1 61 ARG HB2 1.725 . 1.79 0.27 8.0976e-01 5762 1 1 1 1 61 ARG HB3 1.407 . 1.76 0.28 2.0741e-01 5762 1 1 1 1 61 ARG HG2 0.893 . 1.57 0.27 1.2162e-02 5762 1 1 1 1 61 ARG HG3 0.729 . 1.54 0.29 5.1651e-03 5762 1 1 1 1 61 ARG HD2 2.990 . 3.12 0.24 5.8805e-01 5762 1 1 1 1 61 ARG HD3 2.795 . 3.1 0.26 2.4076e-01 5762 1 1 1 1 61 ARG HE 7.233 . 7.4 0.63 7.9095e-01 5762 1 1 1 1 61 ARG N 123.012 . 120.8 3.68 5.4778e-01 5762 1 1 1 1 61 ARG NE 114.315 A 84.63 1.68 7.1850e-70 5762 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 ARG 0.8 5762 1 1 1 1 35 ARG LYS 0.09 5762 1 1 1 1 35 ARG GLY 0.09 5762 1 1 1 1 55 ARG ARG 0.57 5762 1 1 1 1 55 ARG GLY 0.35 5762 1 1 1 1 55 ARG LYS 0.07 5762 1 1 1 1 61 ARG GLY 0.55 5762 1 1 1 1 61 ARG ARG 0.37 5762 1 1 1 1 61 ARG LYS 0.06 5762 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5762 _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 5762 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 5762 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 5762 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5762 _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_