data_AVS_bmrb_pdb_report_10120 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10120 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 10120 1 1 1 1 46 ASP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10120 1 1 1 1 64 MET Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10120 1 1 1 1 132 ASN Anomalous Consistent Consistent Anomalous Consistent Consistent . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 10120 1 1 1 1 46 ASP C 178.667 . 176.41 1.77 2.0226e-01 10120 1 1 1 1 46 ASP CA 54.306 . 54.52 2.1 9.1883e-01 10120 1 1 1 1 46 ASP CB 43.028 . 40.7 1.67 1.6331e-01 10120 1 1 1 1 46 ASP H 6.446 S 8.33 0.57 9.4887e-04 10120 1 1 1 1 46 ASP HA 4.109 . 4.61 0.31 1.0607e-01 10120 1 1 1 1 46 ASP HB2 0.629 M 2.74 0.29 3.3553e-13 10120 1 1 1 1 46 ASP HB3 1.761 . 2.7 0.29 1.2040e-03 10120 1 1 1 1 46 ASP N 122.766 . 120.73 4.2 6.2785e-01 10120 1 1 1 1 64 MET C 174.913 . 176.3 2.13 5.1493e-01 10120 1 1 1 1 64 MET CA 54.094 . 56.16 2.34 3.7729e-01 10120 1 1 1 1 64 MET CB 34.469 . 32.9 2.23 4.8169e-01 10120 1 1 1 1 64 MET CG 30.306 . 32.07 1.45 2.2377e-01 10120 1 1 1 1 64 MET CE 16.511 . 17.21 3.42 8.3805e-01 10120 1 1 1 1 64 MET H 8.876 . 8.26 0.6 3.0458e-01 10120 1 1 1 1 64 MET HA 2.532 M 4.39 0.46 5.3650e-05 10120 1 1 1 1 64 MET HB2 0.803 . 2.03 0.38 1.2425e-03 10120 1 1 1 1 64 MET HB3 1.225 . 2.01 0.36 2.9216e-02 10120 1 1 1 1 64 MET HG2 0.366 S 2.44 0.36 8.3562e-09 10120 1 1 1 1 64 MET HG3 1.492 . 2.41 0.4 2.1733e-02 10120 1 1 1 1 64 MET HE 1.228 . 1.86 0.47 1.7873e-01 10120 1 1 1 1 64 MET N 126.623 . 120.1 3.88 9.2727e-02 10120 1 1 1 1 132 ASN C 177.357 . 175.16 1.76 2.1192e-01 10120 1 1 1 1 132 ASN CA 50.566 . 53.43 1.94 1.3987e-01 10120 1 1 1 1 132 ASN CB 37.270 . 38.66 1.78 4.3486e-01 10120 1 1 1 1 132 ASN H 8.091 . 8.37 0.65 6.6776e-01 10120 1 1 1 1 132 ASN HA 2.729 M 4.7 0.39 4.3300e-07 10120 1 1 1 1 132 ASN HB2 1.376 S 2.8 0.34 2.8113e-05 10120 1 1 1 1 132 ASN HB3 2.523 . 2.78 0.34 4.4972e-01 10120 1 1 1 1 132 ASN HD21 7.158 . 7.27 0.52 8.2947e-01 10120 1 1 1 1 132 ASN HD22 7.333 . 7.2 0.52 7.9813e-01 10120 1 1 1 1 132 ASN N 122.271 . 119.13 4.42 4.7731e-01 10120 1 1 1 1 132 ASN ND2 111.677 . 112.83 2.6 6.5743e-01 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 10120 1 1 1 1 46 ASP LEU 0.3 10120 1 1 1 1 46 ASP ARG 0.21 10120 1 1 1 1 46 ASP ASP 0.14 10120 1 1 1 1 46 ASP CYS 0.1 10120 1 1 1 1 46 ASP LYS 0.09 10120 1 1 1 1 46 ASP PHE 0.04 10120 1 1 1 1 46 ASP GLY 0.04 10120 1 1 1 1 46 ASP TYR 0.03 10120 1 1 1 1 46 ASP ASN 0.01 10120 1 1 1 1 64 MET CYS 0.38 10120 1 1 1 1 64 MET MET 0.36 10120 1 1 1 1 64 MET ALA 0.24 10120 1 1 1 1 132 ASN ASN 0.57 10120 1 1 1 1 132 ASN CYS 0.27 10120 1 1 1 1 132 ASN ASP 0.04 10120 1 1 1 1 132 ASN TYR 0.03 10120 1 1 1 1 132 ASN MET 0.01 10120 1 1 1 1 132 ASN PHE 0.01 10120 1 1 1 1 132 ASN GLU 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10120 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 10120 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 10120 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 10120 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10120 _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_