data_AVS_bmrb_pdb_report_17393 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17393 _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 77 TYR Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17393 1 1 1 1 89 TRP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17393 1 1 1 2 1 L85 UNSUPPORTED . . . . . . . 17393 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 77 TYR CA 59.6178 . 58.02 2.64 5.4503e-01 17393 1 1 1 1 77 TYR CB 37.5770 . 39.16 2.23 4.7779e-01 17393 1 1 1 1 77 TYR CD1 131.0989 . 132.54 1.35 2.8575e-01 17393 1 1 1 1 77 TYR CE1 115.6995 . 117.81 2.09 3.1259e-01 17393 1 1 1 1 77 TYR H 6.2888 . 8.37 0.75 5.5213e-03 17393 1 1 1 1 77 TYR HA 3.3792 . 4.63 0.56 2.5511e-02 17393 1 1 1 1 77 TYR HB2 1.9433 . 2.91 0.37 8.9829e-03 17393 1 1 1 1 77 TYR HB3 2.6310 . 2.91 0.37 4.5082e-01 17393 1 1 1 1 77 TYR HD1 6.7137 . 6.87 0.65 8.0997e-01 17393 1 1 1 1 77 TYR HE1 6.6182 . 6.64 0.58 9.7002e-01 17393 1 1 1 1 77 TYR HH 5.8373 A 9.25 1.34 1.0872e-02 17393 1 1 1 1 77 TYR N 120.5370 . 120.79 4.69 9.5698e-01 17393 1 1 1 1 89 TRP CA 58.7576 . 57.71 2.65 6.9261e-01 17393 1 1 1 1 89 TRP CB 28.0752 . 30.16 2.19 3.4112e-01 17393 1 1 1 1 89 TRP CD1 120.7710 . 126.16 1.76 2.1991e-03 17393 1 1 1 1 89 TRP CE3 118.7490 . 120.38 1.5 2.7689e-01 17393 1 1 1 1 89 TRP CZ2 111.6610 . 114.19 1.09 2.0331e-02 17393 1 1 1 1 89 TRP CZ3 119.5580 . 121.57 1.76 2.5296e-01 17393 1 1 1 1 89 TRP CH2 121.4711 . 123.75 1.34 8.9005e-02 17393 1 1 1 1 89 TRP H 8.6628 . 8.35 0.84 7.0961e-01 17393 1 1 1 1 89 TRP HA 4.7634 . 4.74 0.55 9.6606e-01 17393 1 1 1 1 89 TRP HB2 3.1100 . 3.22 0.36 7.5994e-01 17393 1 1 1 1 89 TRP HB3 3.3303 . 3.18 0.36 6.7631e-01 17393 1 1 1 1 89 TRP HD1 5.0160 A 7.16 0.34 2.8656e-10 17393 1 1 1 1 89 TRP HE1 8.8533 . 10.13 0.53 1.6002e-02 17393 1 1 1 1 89 TRP HE3 7.6020 . 7.17 1.03 6.7491e-01 17393 1 1 1 1 89 TRP HZ2 6.9815 . 7.14 0.89 8.5865e-01 17393 1 1 1 1 89 TRP HZ3 7.2600 . 6.68 1.02 5.6961e-01 17393 1 1 1 1 89 TRP HH2 6.9948 . 6.82 0.94 8.5248e-01 17393 1 1 1 1 89 TRP N 119.9242 . 121.87 4.58 6.7095e-01 17393 1 1 1 1 89 TRP NE1 127.0162 . 129.48 2.56 3.3584e-01 17393 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 77 TYR CYS 0.56 17393 1 1 1 1 77 TYR TYR 0.43 17393 1 1 1 1 89 TRP CYS 0.99 17393 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17393 _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 17393 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17393 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17393 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17393 _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_