data_AVS_bmrb_pdb_report_15525 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15525 _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 2 84 ASN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15525 1 1 1 2 111 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD2 > HG3" 0.9983 15525 1 1 1 2 111 ARG . . . . . . "HD3 > HG3" 0.9982 15525 1 1 1 3 1 GNP UNSUPPORTED . . . . . . . 15525 1 1 1 4 1 MG UNSUPPORTED . . . . . . . 15525 1 1 1 5 1 MTO UNSUPPORTED . . . . . . . 15525 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 2 84 ASN C 176.713 . 175.16 1.76 3.7757e-01 15525 1 1 1 2 84 ASN CA 55.073 . 53.43 1.94 3.9705e-01 15525 1 1 1 2 84 ASN CB 37.819 . 38.66 1.78 6.3659e-01 15525 1 1 1 2 84 ASN H 7.466 . 8.37 0.65 1.6430e-01 15525 1 1 1 2 84 ASN HA 4.381 . 4.7 0.39 4.1339e-01 15525 1 1 1 2 84 ASN HB2 3.028 . 2.8 0.34 5.0248e-01 15525 1 1 1 2 84 ASN HB3 3.028 . 2.78 0.34 4.6575e-01 15525 1 1 1 2 84 ASN HD21 10.238 A 7.27 0.52 1.1452e-08 15525 1 1 1 2 84 ASN HD22 6.336 . 7.2 0.52 9.6605e-02 15525 1 1 1 2 84 ASN N 116.565 . 119.13 4.42 5.6170e-01 15525 1 1 1 2 84 ASN ND2 114.030 . 112.83 2.6 6.4441e-01 15525 1 1 1 2 111 ARG C 174.443 . 176.49 2.16 3.4329e-01 15525 1 1 1 2 111 ARG CA 59.999 . 56.95 2.41 2.0582e-01 15525 1 1 1 2 111 ARG CB 28.293 . 30.66 1.77 1.8113e-01 15525 1 1 1 2 111 ARG CG 27.818 . 27.31 1.65 7.5817e-01 15525 1 1 1 2 111 ARG CD 41.427 . 43.1 1.1 1.2828e-01 15525 1 1 1 2 111 ARG H 8.247 . 8.24 0.6 9.9069e-01 15525 1 1 1 2 111 ARG HA 3.365 . 4.27 0.44 3.9704e-02 15525 1 1 1 2 111 ARG HB2 0.837 S 1.79 0.28 6.6511e-04 15525 1 1 1 2 111 ARG HB3 0.839 S 1.78 0.28 7.7741e-04 15525 1 1 1 2 111 ARG HG2 0.542 S 1.58 0.27 1.2083e-04 15525 1 1 1 2 111 ARG HG3 1.190 . 1.58 0.27 1.4861e-01 15525 1 1 1 2 111 ARG HD2 0.875 A 3.13 0.23 1.0784e-22 15525 1 1 1 2 111 ARG HD3 1.115 A 3.13 0.22 5.2336e-20 15525 1 1 1 2 111 ARG HE 6.777 . 7.32 0.52 2.9638e-01 15525 1 1 1 2 111 ARG HH11 6.381 . 6.74 0.31 2.4684e-01 15525 1 1 1 2 111 ARG HH12 6.388 . 6.75 0.32 2.5795e-01 15525 1 1 1 2 111 ARG HH21 6.381 . 6.72 0.32 2.8943e-01 15525 1 1 1 2 111 ARG HH22 6.388 . 6.72 0.33 3.1439e-01 15525 1 1 1 2 111 ARG N 117.377 . 120.61 3.9 4.0712e-01 15525 1 1 1 2 111 ARG NE 82.749 . 89.8 12.83 5.8261e-01 15525 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 2 84 ASN ASN 0.3 15525 1 1 1 2 84 ASN TYR 0.21 15525 1 1 1 2 84 ASN PHE 0.14 15525 1 1 1 2 84 ASN GLU 0.13 15525 1 1 1 2 84 ASN ASP 0.1 15525 1 1 1 2 84 ASN MET 0.03 15525 1 1 1 2 84 ASN ILE 0.02 15525 1 1 1 2 84 ASN LEU 0.02 15525 1 1 1 2 84 ASN LYS 0.01 15525 1 1 1 2 111 ARG ARG 0.51 15525 1 1 1 2 111 ARG LYS 0.31 15525 1 1 1 2 111 ARG LEU 0.15 15525 1 1 1 2 111 ARG GLY 0.01 15525 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15525 _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 15525 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15525 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15525 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15525 _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_