data_AVS_bmrb_pdb_report_16677 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16677 _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 1 104 GLY Anomalous Indeterminable Consistent Anomalous Indeterminable Consistent . . 16677 1 1 1 1 116 ILE Anomalous Indeterminable Suspicious Anomalous Indeterminable Consistent "H > HA" 1.0000 16677 1 1 1 1 116 ILE . . . . . . "H > HB" 1.0000 16677 1 1 1 1 131 LYS Anomalous Indeterminable Consistent Anomalous Indeterminable Consistent . . 16677 1 1 1 1 140 TRP Anomalous Indeterminable Consistent Anomalous Indeterminable Consistent . . 16677 1 1 1 2 72 TRP Anomalous Indeterminable Consistent Anomalous Indeterminable Consistent . . 16677 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 1 104 GLY H 12.346 A 8.34 0.74 6.1800e-08 16677 1 1 1 1 104 GLY HA2 4.116 . 3.95 0.4 6.7814e-01 16677 1 1 1 1 104 GLY HA3 3.930 . 3.93 0.4 1.0000e+00 16677 1 1 1 1 104 GLY N 112.508 . 109.91 4.29 5.4478e-01 16677 1 1 1 1 116 ILE H 1.955 A 8.26 0.71 6.6691e-19 16677 1 1 1 1 116 ILE HA 3.596 . 4.2 0.56 2.8078e-01 16677 1 1 1 1 116 ILE HB 2.021 . 1.8 0.31 4.7591e-01 16677 1 1 1 1 116 ILE HG12 1.705 . 1.3 0.4 3.1130e-01 16677 1 1 1 1 116 ILE HD11 0.790 . 0.7 0.3 7.6418e-01 16677 1 1 1 1 116 ILE HD12 0.790 . 0.7 0.3 7.6418e-01 16677 1 1 1 1 116 ILE HD13 0.790 . 0.7 0.3 7.6418e-01 16677 1 1 1 1 116 ILE N 121.935 . 121.6 4.72 9.4342e-01 16677 1 1 1 1 131 LYS HA 3.478 . 4.28 0.45 7.4713e-02 16677 1 1 1 1 131 LYS HG2 -0.746 A 1.38 0.27 3.4328e-15 16677 1 1 1 1 131 LYS HD2 1.805 . 1.61 0.25 4.3539e-01 16677 1 1 1 1 131 LYS HE2 2.899 . 2.93 0.2 8.7682e-01 16677 1 1 1 1 131 LYS N 117.983 . 121.16 4.11 4.3953e-01 16677 1 1 1 1 140 TRP H 17.315 A 8.35 0.84 1.3672e-26 16677 1 1 1 1 140 TRP HA 4.683 . 4.74 0.55 9.1746e-01 16677 1 1 1 1 140 TRP HB2 2.881 . 3.22 0.36 3.4636e-01 16677 1 1 1 1 140 TRP HB3 3.429 . 3.18 0.36 4.8915e-01 16677 1 1 1 1 140 TRP HD1 6.798 . 7.16 0.34 2.8701e-01 16677 1 1 1 1 140 TRP HE1 8.106 S 10.13 0.53 1.3407e-04 16677 1 1 1 1 140 TRP N 117.195 . 121.87 4.58 3.0738e-01 16677 1 1 1 2 72 TRP H 7.962 . 8.35 0.84 6.4415e-01 16677 1 1 1 2 72 TRP HA 4.864 . 4.74 0.55 8.2163e-01 16677 1 1 1 2 72 TRP HB2 2.394 . 3.22 0.36 2.1765e-02 16677 1 1 1 2 72 TRP HB3 2.690 . 3.18 0.36 1.7348e-01 16677 1 1 1 2 72 TRP HD1 5.790 A 7.16 0.34 5.5917e-05 16677 1 1 1 2 72 TRP N 121.782 . 121.87 4.58 9.8467e-01 16677 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16677 _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.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 16677 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16677 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16677 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16677 _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_