data_AVS_bmrb_pdb_report_18782 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18782 _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 38 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 18782 1 1 1 1 46 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 18782 1 1 1 1 48 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 18782 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 38 ARG C 176.248 . 176.41 2.03 9.3639e-01 18782 1 1 1 1 38 ARG CA 59.620 . 56.77 2.31 2.1729e-01 18782 1 1 1 1 38 ARG CB 29.459 . 30.7 1.83 4.9768e-01 18782 1 1 1 1 38 ARG CG 27.037 . 27.21 1.2 8.8537e-01 18782 1 1 1 1 38 ARG CD 42.616 . 43.16 0.88 5.3646e-01 18782 1 1 1 1 38 ARG CZ 156.223 . 159.97 2.95 2.0402e-01 18782 1 1 1 1 38 ARG H 7.973 . 8.24 0.61 6.6160e-01 18782 1 1 1 1 38 ARG HA 4.221 . 4.3 0.46 8.6364e-01 18782 1 1 1 1 38 ARG HB2 1.945 . 1.79 0.27 5.6592e-01 18782 1 1 1 1 38 ARG HB3 2.018 . 1.76 0.28 3.5683e-01 18782 1 1 1 1 38 ARG HG2 1.617 . 1.57 0.27 8.6181e-01 18782 1 1 1 1 38 ARG HG3 1.617 . 1.54 0.29 7.9061e-01 18782 1 1 1 1 38 ARG HD2 3.180 . 3.12 0.24 8.0259e-01 18782 1 1 1 1 38 ARG HD3 3.435 . 3.1 0.26 1.9759e-01 18782 1 1 1 1 38 ARG HE 8.006 . 7.4 0.63 3.3610e-01 18782 1 1 1 1 38 ARG HH11 7.495 . 6.91 0.46 2.0347e-01 18782 1 1 1 1 38 ARG HH12 7.495 . 6.8 0.33 3.5199e-02 18782 1 1 1 1 38 ARG HH21 7.110 . 6.81 0.48 5.3197e-01 18782 1 1 1 1 38 ARG HH22 7.110 . 6.76 0.36 3.3094e-01 18782 1 1 1 1 38 ARG N 119.653 . 120.8 3.68 7.5528e-01 18782 1 1 1 1 38 ARG NE 113.064 A 84.63 1.68 2.9435e-64 18782 1 1 1 1 46 ARG C 176.118 . 176.41 2.03 8.8563e-01 18782 1 1 1 1 46 ARG CA 59.669 . 56.77 2.31 2.0949e-01 18782 1 1 1 1 46 ARG CB 30.505 . 30.7 1.83 9.1514e-01 18782 1 1 1 1 46 ARG CG 27.898 . 27.21 1.2 5.6642e-01 18782 1 1 1 1 46 ARG CD 43.471 . 43.16 0.88 7.2378e-01 18782 1 1 1 1 46 ARG CZ 157.167 . 159.97 2.95 3.4203e-01 18782 1 1 1 1 46 ARG H 7.959 . 8.24 0.61 6.4505e-01 18782 1 1 1 1 46 ARG HA 3.978 . 4.3 0.46 4.8393e-01 18782 1 1 1 1 46 ARG HB2 2.024 . 1.79 0.27 3.8612e-01 18782 1 1 1 1 46 ARG HB3 2.024 . 1.76 0.28 3.4575e-01 18782 1 1 1 1 46 ARG HG2 1.640 . 1.57 0.27 7.9544e-01 18782 1 1 1 1 46 ARG HG3 1.780 . 1.54 0.29 4.0791e-01 18782 1 1 1 1 46 ARG HD2 3.105 . 3.12 0.24 9.5016e-01 18782 1 1 1 1 46 ARG HD3 3.375 . 3.1 0.26 2.9020e-01 18782 1 1 1 1 46 ARG HE 7.888 . 7.4 0.63 4.3857e-01 18782 1 1 1 1 46 ARG HH12 7.033 . 6.8 0.33 4.8015e-01 18782 1 1 1 1 46 ARG HH22 7.033 . 6.76 0.36 4.4825e-01 18782 1 1 1 1 46 ARG N 121.714 . 120.8 3.68 8.0385e-01 18782 1 1 1 1 46 ARG NE 115.562 A 84.63 1.68 1.0545e-75 18782 1 1 1 1 48 ARG C 176.370 . 176.41 2.03 9.8428e-01 18782 1 1 1 1 48 ARG CA 59.937 . 56.77 2.31 1.7038e-01 18782 1 1 1 1 48 ARG CB 30.529 . 30.7 1.83 9.2555e-01 18782 1 1 1 1 48 ARG CG 28.839 . 27.21 1.2 1.7462e-01 18782 1 1 1 1 48 ARG CD 43.655 . 43.16 0.88 5.7378e-01 18782 1 1 1 1 48 ARG CZ 157.246 . 159.97 2.95 3.5580e-01 18782 1 1 1 1 48 ARG H 8.451 . 8.24 0.61 7.2942e-01 18782 1 1 1 1 48 ARG HA 3.937 . 4.3 0.46 4.3004e-01 18782 1 1 1 1 48 ARG HB2 1.882 . 1.79 0.27 7.3330e-01 18782 1 1 1 1 48 ARG HB3 1.882 . 1.76 0.28 6.6304e-01 18782 1 1 1 1 48 ARG HG2 1.626 . 1.57 0.27 8.3569e-01 18782 1 1 1 1 48 ARG HG3 1.886 . 1.54 0.29 2.3283e-01 18782 1 1 1 1 48 ARG HD2 3.175 . 3.12 0.24 8.1874e-01 18782 1 1 1 1 48 ARG HD3 3.175 . 3.1 0.26 7.7299e-01 18782 1 1 1 1 48 ARG HE 7.076 . 7.4 0.63 6.0705e-01 18782 1 1 1 1 48 ARG N 116.770 . 120.8 3.68 2.7347e-01 18782 1 1 1 1 48 ARG NE 115.950 A 84.63 1.68 1.4432e-77 18782 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 38 ARG ARG 0.93 18782 1 1 1 1 38 ARG GLY 0.06 18782 1 1 1 1 46 ARG ARG 0.81 18782 1 1 1 1 46 ARG GLY 0.18 18782 1 1 1 1 48 ARG ARG 0.67 18782 1 1 1 1 48 ARG GLY 0.32 18782 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18782 _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 18782 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18782 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18782 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18782 _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_