data_AVS_bmrb_pdb_report_16559 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16559 _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 9 THR Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 16559 1 1 1 1 10 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16559 1 1 1 1 103 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 16559 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 9 THR C 169.113 . 174.54 1.76 2.0457e-03 16559 1 1 1 1 9 THR CA 59.055 . 62.22 2.59 2.2170e-01 16559 1 1 1 1 9 THR CB 68.624 . 69.73 1.63 4.9744e-01 16559 1 1 1 1 9 THR CG2 19.412 . 21.55 1.11 5.4089e-02 16559 1 1 1 1 9 THR H 5.219 A 8.24 0.62 1.1015e-06 16559 1 1 1 1 9 THR HA 3.821 . 4.46 0.48 1.8311e-01 16559 1 1 1 1 9 THR HB 3.976 . 4.17 0.33 5.5661e-01 16559 1 1 1 1 9 THR HG21 0.917 . 1.14 0.23 3.3226e-01 16559 1 1 1 1 9 THR HG22 0.917 . 1.14 0.23 3.3226e-01 16559 1 1 1 1 9 THR HG23 0.917 . 1.14 0.23 3.3226e-01 16559 1 1 1 1 10 ARG C 175.310 . 176.41 2.03 5.8791e-01 16559 1 1 1 1 10 ARG CA 55.831 . 56.77 2.31 6.8438e-01 16559 1 1 1 1 10 ARG CB 30.877 . 30.7 1.83 9.2295e-01 16559 1 1 1 1 10 ARG CG 28.707 . 27.21 1.2 2.1221e-01 16559 1 1 1 1 10 ARG CD 42.924 . 43.16 0.88 7.8856e-01 16559 1 1 1 1 10 ARG CZ 159.744 . 159.97 2.95 9.3893e-01 16559 1 1 1 1 10 ARG H 7.889 . 8.24 0.61 5.6501e-01 16559 1 1 1 1 10 ARG HA 4.128 . 4.3 0.46 7.0847e-01 16559 1 1 1 1 10 ARG HB2 1.946 . 1.79 0.27 5.6341e-01 16559 1 1 1 1 10 ARG HB3 1.545 . 1.76 0.28 4.4257e-01 16559 1 1 1 1 10 ARG HG2 1.726 . 1.57 0.27 5.6341e-01 16559 1 1 1 1 10 ARG HG3 1.569 . 1.54 0.29 9.2034e-01 16559 1 1 1 1 10 ARG HD2 3.308 . 3.12 0.24 4.3343e-01 16559 1 1 1 1 10 ARG HD3 3.308 . 3.1 0.26 4.2371e-01 16559 1 1 1 1 10 ARG HE 7.532 . 7.4 0.63 8.3404e-01 16559 1 1 1 1 10 ARG N 120.160 . 120.8 3.68 8.6193e-01 16559 1 1 1 1 10 ARG NE 115.124 A 84.63 1.68 1.2565e-73 16559 1 1 1 1 103 ARG C 174.789 . 176.41 2.03 4.2457e-01 16559 1 1 1 1 103 ARG CA 56.671 . 56.77 2.31 9.6582e-01 16559 1 1 1 1 103 ARG CB 33.087 . 30.7 1.83 1.9211e-01 16559 1 1 1 1 103 ARG CG 25.153 . 27.21 1.2 8.6498e-02 16559 1 1 1 1 103 ARG CD 42.924 . 43.16 0.88 7.8856e-01 16559 1 1 1 1 103 ARG CZ 159.777 . 159.97 2.95 9.4784e-01 16559 1 1 1 1 103 ARG H 9.853 . 8.24 0.61 8.1869e-03 16559 1 1 1 1 103 ARG HA 4.512 . 4.3 0.46 6.4489e-01 16559 1 1 1 1 103 ARG HB2 1.647 . 1.79 0.27 5.9637e-01 16559 1 1 1 1 103 ARG HB3 1.647 . 1.76 0.28 6.8653e-01 16559 1 1 1 1 103 ARG HG2 1.531 . 1.57 0.27 8.8515e-01 16559 1 1 1 1 103 ARG HG3 1.531 . 1.54 0.29 9.7524e-01 16559 1 1 1 1 103 ARG HD2 3.265 . 3.12 0.24 5.4573e-01 16559 1 1 1 1 103 ARG HD3 2.724 . 3.1 0.26 1.4813e-01 16559 1 1 1 1 103 ARG HE 9.035 . 7.4 0.63 9.4525e-03 16559 1 1 1 1 103 ARG HH11 9.778 S 6.91 0.46 4.5241e-10 16559 1 1 1 1 103 ARG HH12 8.509 S 6.8 0.33 2.2333e-07 16559 1 1 1 1 103 ARG HH21 6.609 . 6.81 0.48 6.7540e-01 16559 1 1 1 1 103 ARG HH22 6.609 . 6.76 0.36 6.7489e-01 16559 1 1 1 1 103 ARG N 107.897 S 120.8 3.68 4.5447e-04 16559 1 1 1 1 103 ARG NE 115.292 A 84.63 1.68 2.0245e-74 16559 1 1 1 1 103 ARG NH2 71.923 . 73.26 3.32 6.8716e-01 16559 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 9 THR THR 0.54 16559 1 1 1 1 9 THR CYS 0.38 16559 1 1 1 1 9 THR ALA 0.04 16559 1 1 1 1 9 THR SER 0.02 16559 1 1 1 1 10 ARG ARG 0.52 16559 1 1 1 1 10 ARG CYS 0.43 16559 1 1 1 1 10 ARG GLY 0.04 16559 1 1 1 1 103 ARG CYS 0.62 16559 1 1 1 1 103 ARG ARG 0.32 16559 1 1 1 1 103 ARG GLY 0.04 16559 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16559 _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 16559 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16559 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16559 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16559 _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_