data_AVS_bmrb_pdb_report_17496 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17496 _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 33 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17496 1 1 1 1 97 TRP Anomalous Consistent Consistent Consistent Consistent Anomalous . . 17496 1 1 1 2 1 C2E UNSUPPORTED . . . . . . . 17496 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 33 ARG C 175.465 . 176.49 2.16 6.3512e-01 17496 1 1 1 1 33 ARG CA 55.645 . 56.95 2.41 5.8817e-01 17496 1 1 1 1 33 ARG CD 44.205 . 43.1 1.1 3.1512e-01 17496 1 1 1 1 33 ARG HA 4.617 . 4.27 0.44 4.3032e-01 17496 1 1 1 1 33 ARG HB2 1.665 . 1.79 0.28 6.5529e-01 17496 1 1 1 1 33 ARG HB3 1.784 . 1.78 0.28 9.8860e-01 17496 1 1 1 1 33 ARG HG2 1.425 . 1.58 0.27 5.6592e-01 17496 1 1 1 1 33 ARG HG3 1.502 . 1.58 0.27 7.7267e-01 17496 1 1 1 1 33 ARG HD2 2.865 . 3.13 0.23 2.4925e-01 17496 1 1 1 1 33 ARG HD3 3.111 . 3.13 0.22 9.3118e-01 17496 1 1 1 1 33 ARG HE 7.029 . 7.32 0.52 5.7574e-01 17496 1 1 1 1 33 ARG HH21 9.882 A 6.72 0.32 5.0203e-23 17496 1 1 1 1 33 ARG HH22 7.062 . 6.72 0.33 3.0003e-01 17496 1 1 1 1 33 ARG NE 85.051 . 89.8 12.83 7.1127e-01 17496 1 1 1 1 33 ARG NH2 80.713 . 75.84 11.44 6.7014e-01 17496 1 1 1 1 97 TRP C 171.714 . 176.1 1.89 2.0307e-02 17496 1 1 1 1 97 TRP CA 56.014 . 57.71 2.65 5.2217e-01 17496 1 1 1 1 97 TRP CB 30.032 . 30.16 2.19 9.5339e-01 17496 1 1 1 1 97 TRP CD1 126.120 . 126.16 1.76 9.8187e-01 17496 1 1 1 1 97 TRP CE3 118.849 . 120.38 1.5 3.0741e-01 17496 1 1 1 1 97 TRP CZ2 115.278 . 114.19 1.09 3.1820e-01 17496 1 1 1 1 97 TRP CZ3 120.823 . 121.57 1.76 6.7125e-01 17496 1 1 1 1 97 TRP CH2 124.584 . 123.75 1.34 5.3369e-01 17496 1 1 1 1 97 TRP H 7.436 . 8.35 0.84 2.7655e-01 17496 1 1 1 1 97 TRP HA 4.493 . 4.74 0.55 6.5337e-01 17496 1 1 1 1 97 TRP HB2 3.114 . 3.22 0.36 7.6842e-01 17496 1 1 1 1 97 TRP HB3 3.439 . 3.18 0.36 4.7187e-01 17496 1 1 1 1 97 TRP HD1 6.357 . 7.16 0.34 1.8188e-02 17496 1 1 1 1 97 TRP HE1 11.582 . 10.13 0.53 6.1510e-03 17496 1 1 1 1 97 TRP HE3 6.964 . 7.17 1.03 8.4148e-01 17496 1 1 1 1 97 TRP HZ2 7.132 . 7.14 0.89 9.9283e-01 17496 1 1 1 1 97 TRP HZ3 6.856 . 6.68 1.02 8.6301e-01 17496 1 1 1 1 97 TRP HH2 6.768 . 6.82 0.94 9.5588e-01 17496 1 1 1 1 97 TRP N 114.810 . 121.87 4.58 1.2320e-01 17496 1 1 1 1 97 TRP NE1 136.952 A 129.48 2.56 3.5144e-03 17496 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 33 ARG LEU 0.29 17496 1 1 1 1 33 ARG ARG 0.25 17496 1 1 1 1 33 ARG GLY 0.2 17496 1 1 1 1 33 ARG CYS 0.13 17496 1 1 1 1 33 ARG ASP 0.04 17496 1 1 1 1 33 ARG PHE 0.03 17496 1 1 1 1 33 ARG TYR 0.02 17496 1 1 1 1 97 TRP TRP 0.53 17496 1 1 1 1 97 TRP CYS 0.43 17496 1 1 1 1 97 TRP HIS 0.03 17496 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17496 _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 17496 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17496 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17496 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17496 _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_