data_AVS_bmrb_pdb_report_16157 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16157 _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 51 TRP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16157 1 1 1 1 67 LEU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16157 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 51 TRP C 170.134 A 176.1 1.89 1.5961e-03 16157 1 1 1 1 51 TRP CA 53.820 . 57.71 2.65 1.4212e-01 16157 1 1 1 1 51 TRP CB 30.930 . 30.16 2.19 7.2514e-01 16157 1 1 1 1 51 TRP H 8.184 . 8.35 0.84 8.4334e-01 16157 1 1 1 1 51 TRP HA 5.778 . 4.74 0.55 5.9124e-02 16157 1 1 1 1 51 TRP HB2 3.129 . 3.22 0.36 8.0044e-01 16157 1 1 1 1 51 TRP HB3 2.662 . 3.18 0.36 1.5018e-01 16157 1 1 1 1 51 TRP HD1 7.183 . 7.16 0.34 9.4607e-01 16157 1 1 1 1 51 TRP HE1 9.856 . 10.13 0.53 6.0517e-01 16157 1 1 1 1 51 TRP HE3 7.369 . 7.17 1.03 8.4680e-01 16157 1 1 1 1 51 TRP HZ2 6.829 . 7.14 0.89 7.2676e-01 16157 1 1 1 1 51 TRP N 117.328 . 121.87 4.58 3.2134e-01 16157 1 1 1 1 51 TRP NE1 129.871 . 129.48 2.56 8.7861e-01 16157 1 1 1 1 67 LEU C 167.522 A 176.97 2.09 6.1672e-06 16157 1 1 1 1 67 LEU CA 51.200 . 55.65 2.21 4.4054e-02 16157 1 1 1 1 67 LEU CB 42.747 . 42.37 1.86 8.3938e-01 16157 1 1 1 1 67 LEU CD1 23.666 . 24.73 1.71 5.3380e-01 16157 1 1 1 1 67 LEU CD2 22.730 . 24.1 1.78 4.4150e-01 16157 1 1 1 1 67 LEU H 7.723 . 8.22 0.65 4.4450e-01 16157 1 1 1 1 67 LEU HA 4.628 . 4.32 0.47 5.1226e-01 16157 1 1 1 1 67 LEU HB2 1.182 . 1.63 0.34 1.8762e-01 16157 1 1 1 1 67 LEU HB3 1.057 . 1.57 0.36 1.5416e-01 16157 1 1 1 1 67 LEU HD11 0.333 . 0.77 0.27 1.0555e-01 16157 1 1 1 1 67 LEU HD12 0.333 . 0.77 0.27 1.0555e-01 16157 1 1 1 1 67 LEU HD13 0.333 . 0.77 0.27 1.0555e-01 16157 1 1 1 1 67 LEU HD21 0.203 . 0.76 0.28 4.6670e-02 16157 1 1 1 1 67 LEU HD22 0.203 . 0.76 0.28 4.6670e-02 16157 1 1 1 1 67 LEU HD23 0.203 . 0.76 0.28 4.6670e-02 16157 1 1 1 1 67 LEU N 118.448 . 121.98 4.07 3.8550e-01 16157 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 51 TRP HIS 0.22 16157 1 1 1 1 51 TRP CYS 0.22 16157 1 1 1 1 51 TRP ARG 0.18 16157 1 1 1 1 51 TRP TRP 0.13 16157 1 1 1 1 51 TRP GLN 0.12 16157 1 1 1 1 51 TRP GLU 0.1 16157 1 1 1 1 67 LEU LEU 0.55 16157 1 1 1 1 67 LEU CYS 0.16 16157 1 1 1 1 67 LEU ALA 0.14 16157 1 1 1 1 67 LEU GLY 0.13 16157 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16157 _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 16157 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16157 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16157 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16157 _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_