data_AVS_bmrb_pdb_report_25379 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25379 _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 30 PHE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 25379 1 1 1 1 38 TRP Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 25379 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 30 PHE C 166.58 A 175.42 1.99 8.9039e-06 25379 1 1 1 1 30 PHE CA 50.321 . 58.08 2.57 2.5356e-03 25379 1 1 1 1 30 PHE CB 36.74 . 39.99 2.09 1.1994e-01 25379 1 1 1 1 30 PHE H 6.379 . 8.36 0.72 5.9343e-03 25379 1 1 1 1 30 PHE HA 4.918 . 4.63 0.57 6.1337e-01 25379 1 1 1 1 30 PHE HB2 2.389 . 3 0.37 9.8667e-02 25379 1 1 1 1 30 PHE HB3 2.365 . 2.93 0.4 1.5780e-01 25379 1 1 1 1 30 PHE HD1 6.722 . 7.06 0.31 2.7557e-01 25379 1 1 1 1 30 PHE HD2 6.722 . 7.06 0.31 2.7557e-01 25379 1 1 1 1 30 PHE HE1 6.722 . 7.08 0.31 2.4816e-01 25379 1 1 1 1 30 PHE HE2 6.722 . 7.08 0.32 2.6325e-01 25379 1 1 1 1 30 PHE HZ 6.722 . 7 0.42 5.0803e-01 25379 1 1 1 1 30 PHE N 112.395 . 120.45 4.18 5.3976e-02 25379 1 1 1 1 38 TRP C 169.302 S 176.12 2.01 6.9374e-04 25379 1 1 1 1 38 TRP CA 51.263 . 57.66 2.58 1.3158e-02 25379 1 1 1 1 38 TRP CB 24.507 . 30.01 2.01 6.1850e-03 25379 1 1 1 1 38 TRP CD1 121.383 . 126.51 1.83 5.0844e-03 25379 1 1 1 1 38 TRP CE3 118.507 . 120.43 1.79 2.8269e-01 25379 1 1 1 1 38 TRP CZ2 108.994 A 114.26 1.12 2.5790e-06 25379 1 1 1 1 38 TRP CZ3 118.96 . 121.35 1.53 1.1827e-01 25379 1 1 1 1 38 TRP CH2 119.771 . 123.86 1.42 3.9821e-03 25379 1 1 1 1 38 TRP H 7.127 . 8.29 0.79 1.4098e-01 25379 1 1 1 1 38 TRP HA 4.556 . 4.68 0.53 8.1501e-01 25379 1 1 1 1 38 TRP HB2 2.766 . 3.19 0.35 2.2573e-01 25379 1 1 1 1 38 TRP HB3 2.69 . 3.12 0.36 2.3230e-01 25379 1 1 1 1 38 TRP HD1 6.619 . 7.14 0.36 1.4783e-01 25379 1 1 1 1 38 TRP HE1 9.495 . 10.08 0.66 3.7542e-01 25379 1 1 1 1 38 TRP HE3 6.619 . 7.31 0.41 9.1918e-02 25379 1 1 1 1 38 TRP HZ2 7.014 . 7.28 0.33 4.2021e-01 25379 1 1 1 1 38 TRP HZ3 6.398 . 6.86 0.4 2.4809e-01 25379 1 1 1 1 38 TRP HH2 6.392 . 6.98 0.39 1.3163e-01 25379 1 1 1 1 38 TRP N 120.771 . 121.68 4.18 8.2785e-01 25379 1 1 1 1 38 TRP NE1 129.078 . 129.32 2.11 9.0869e-01 25379 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 30 PHE ASN 0.63 25379 1 1 1 1 30 PHE CYS 0.23 25379 1 1 1 1 30 PHE MET 0.04 25379 1 1 1 1 30 PHE TYR 0.02 25379 1 1 1 1 30 PHE ASP 0.02 25379 1 1 1 1 30 PHE GLU 0.01 25379 1 1 1 1 30 PHE PHE 0.01 25379 1 1 1 1 38 TRP CYS 0.86 25379 1 1 1 1 38 TRP ALA 0.13 25379 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25379 _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 25379 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25379 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25379 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25379 _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_