data_AVS_bmrb_pdb_report_11499 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11499 _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 82 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 11499 1 1 1 1 93 LYS Anomalous Consistent Suspicious Anomalous Consistent Consistent "HE3 > HB2" 0.9970 11499 1 1 1 1 93 LYS . . . . . . "HE3 > HB3" 0.9974 11499 1 1 1 1 94 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11499 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 82 ARG C 177.052 . 176.41 2.03 7.5181e-01 11499 1 1 1 1 82 ARG CA 56.154 . 56.77 2.31 7.8973e-01 11499 1 1 1 1 82 ARG CB 30.603 . 30.7 1.83 9.5773e-01 11499 1 1 1 1 82 ARG CG 27.640 . 27.21 1.2 7.2009e-01 11499 1 1 1 1 82 ARG CD 43.261 . 43.16 0.88 9.0863e-01 11499 1 1 1 1 82 ARG H 8.879 . 8.24 0.61 2.9485e-01 11499 1 1 1 1 82 ARG HA 4.010 . 4.3 0.46 5.2841e-01 11499 1 1 1 1 82 ARG HB2 1.760 . 1.79 0.27 9.1153e-01 11499 1 1 1 1 82 ARG HB3 1.627 . 1.76 0.28 6.3479e-01 11499 1 1 1 1 82 ARG HG2 1.063 . 1.57 0.27 6.0412e-02 11499 1 1 1 1 82 ARG HG3 1.328 . 1.54 0.29 4.6476e-01 11499 1 1 1 1 82 ARG HD2 2.654 . 3.12 0.24 5.2178e-02 11499 1 1 1 1 82 ARG HD3 2.654 . 3.1 0.26 8.6275e-02 11499 1 1 1 1 82 ARG HE 6.677 . 7.4 0.63 2.5113e-01 11499 1 1 1 1 82 ARG N 121.523 . 120.8 3.68 8.4424e-01 11499 1 1 1 1 82 ARG NE 117.582 A 84.63 1.68 1.1677e-85 11499 1 1 1 1 93 LYS C 171.682 . 176.64 2 1.3175e-02 11499 1 1 1 1 93 LYS CA 55.672 . 56.95 2.2 5.6130e-01 11499 1 1 1 1 93 LYS CB 35.891 . 32.79 1.78 8.1485e-02 11499 1 1 1 1 93 LYS CG 24.318 . 24.89 1.13 6.1272e-01 11499 1 1 1 1 93 LYS CD 29.196 . 28.96 1.08 8.2703e-01 11499 1 1 1 1 93 LYS CE 40.942 . 41.89 0.82 2.4764e-01 11499 1 1 1 1 93 LYS H 9.121 . 8.19 0.6 1.2074e-01 11499 1 1 1 1 93 LYS HA 4.550 . 4.27 0.44 5.2454e-01 11499 1 1 1 1 93 LYS HB2 1.250 . 1.78 0.25 3.4006e-02 11499 1 1 1 1 93 LYS HB3 1.197 . 1.74 0.27 4.4314e-02 11499 1 1 1 1 93 LYS HG2 0.304 S 1.37 0.26 4.1315e-05 11499 1 1 1 1 93 LYS HG3 0.521 . 1.35 0.28 3.0693e-03 11499 1 1 1 1 93 LYS HD2 0.100 S 1.61 0.22 6.7129e-12 11499 1 1 1 1 93 LYS HD3 0.618 S 1.6 0.22 8.0580e-06 11499 1 1 1 1 93 LYS HE2 1.338 S 2.92 0.19 8.3397e-17 11499 1 1 1 1 93 LYS HE3 0.720 A 2.91 0.2 6.6448e-28 11499 1 1 1 1 93 LYS N 117.516 . 121.05 3.77 3.4855e-01 11499 1 1 1 1 94 ARG C 175.362 . 176.41 2.03 6.0568e-01 11499 1 1 1 1 94 ARG CA 53.642 . 56.77 2.31 1.7570e-01 11499 1 1 1 1 94 ARG CB 30.524 . 30.7 1.83 9.2338e-01 11499 1 1 1 1 94 ARG CG 27.693 . 27.21 1.2 6.8732e-01 11499 1 1 1 1 94 ARG CD 42.464 . 43.16 0.88 4.2900e-01 11499 1 1 1 1 94 ARG H 7.840 . 8.24 0.61 5.1199e-01 11499 1 1 1 1 94 ARG HA 4.312 . 4.3 0.46 9.7919e-01 11499 1 1 1 1 94 ARG HB2 0.425 S 1.79 0.27 4.2914e-07 11499 1 1 1 1 94 ARG HB3 -1.050 A 1.76 0.28 1.0619e-23 11499 1 1 1 1 94 ARG HG2 -0.203 S 1.57 0.27 5.1454e-11 11499 1 1 1 1 94 ARG HG3 0.442 S 1.54 0.29 1.5296e-04 11499 1 1 1 1 94 ARG HD2 1.700 S 3.12 0.24 3.2853e-09 11499 1 1 1 1 94 ARG HD3 1.783 S 3.1 0.26 4.0758e-07 11499 1 1 1 1 94 ARG HE 5.849 . 7.4 0.63 1.3820e-02 11499 1 1 1 1 94 ARG N 124.586 . 120.8 3.68 3.0357e-01 11499 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 82 ARG ARG 0.75 11499 1 1 1 1 82 ARG LYS 0.15 11499 1 1 1 1 82 ARG GLY 0.08 11499 1 1 1 1 93 LYS LYS 0.95 11499 1 1 1 1 93 LYS ARG 0.02 11499 1 1 1 1 93 LYS ALA 0.01 11499 1 1 1 1 94 ARG ARG 0.7 11499 1 1 1 1 94 ARG LYS 0.24 11499 1 1 1 1 94 ARG GLY 0.03 11499 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11499 _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 11499 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11499 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11499 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11499 _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_