data_AVS_bmrb_pdb_report_18053 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18053 _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 52 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 18053 1 1 1 1 101 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 18053 1 1 1 1 116 ASN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 18053 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 52 ARG C 175.807 . 176.49 2.16 7.5185e-01 18053 1 1 1 1 52 ARG CA 54.121 . 56.95 2.41 2.4045e-01 18053 1 1 1 1 52 ARG CB 35.124 . 30.66 1.77 1.1668e-02 18053 1 1 1 1 52 ARG CG 27.758 . 27.31 1.65 7.8599e-01 18053 1 1 1 1 52 ARG CD 44.035 . 43.1 1.1 3.9533e-01 18053 1 1 1 1 52 ARG H 9.147 . 8.24 0.6 1.3062e-01 18053 1 1 1 1 52 ARG HA 5.968 A 4.27 0.44 1.1381e-04 18053 1 1 1 1 52 ARG HB2 1.423 . 1.79 0.28 1.8995e-01 18053 1 1 1 1 52 ARG HB3 1.423 . 1.78 0.28 2.0231e-01 18053 1 1 1 1 52 ARG HG2 1.520 . 1.58 0.27 8.2414e-01 18053 1 1 1 1 52 ARG HG3 1.520 . 1.58 0.27 8.2414e-01 18053 1 1 1 1 52 ARG HD2 2.976 . 3.13 0.23 5.0314e-01 18053 1 1 1 1 52 ARG HD3 2.894 . 3.13 0.22 2.8339e-01 18053 1 1 1 1 52 ARG N 116.480 . 120.61 3.9 2.8961e-01 18053 1 1 1 1 101 GLN CA 52.620 . 56.62 2.19 6.7778e-02 18053 1 1 1 1 101 GLN CB 27.595 . 29.1 1.97 4.4489e-01 18053 1 1 1 1 101 GLN CG 30.537 . 33.72 1.1 3.8081e-03 18053 1 1 1 1 101 GLN H 6.815 . 8.22 0.62 2.3443e-02 18053 1 1 1 1 101 GLN HA 3.972 . 4.28 0.44 4.8393e-01 18053 1 1 1 1 101 GLN HB2 0.437 S 2.05 0.28 8.3759e-09 18053 1 1 1 1 101 GLN HB3 -0.175 S 2.04 0.29 2.2074e-14 18053 1 1 1 1 101 GLN HG2 0.501 S 2.32 0.29 3.5549e-10 18053 1 1 1 1 101 GLN HG3 -0.406 A 2.32 0.29 5.4563e-21 18053 1 1 1 1 101 GLN HE21 6.556 . 7.17 0.46 1.8195e-01 18053 1 1 1 1 101 GLN HE22 6.806 . 7.07 0.49 5.9004e-01 18053 1 1 1 1 101 GLN N 121.162 . 119.92 4.01 7.5677e-01 18053 1 1 1 1 101 GLN NE2 111.565 . 111.81 2.2 9.1133e-01 18053 1 1 1 1 116 ASN C 176.885 . 175.16 1.76 3.2703e-01 18053 1 1 1 1 116 ASN CA 50.409 . 53.43 1.94 1.1942e-01 18053 1 1 1 1 116 ASN CB 36.639 . 38.66 1.78 2.5621e-01 18053 1 1 1 1 116 ASN H 8.016 . 8.37 0.65 5.8602e-01 18053 1 1 1 1 116 ASN HA 2.897 A 4.7 0.39 3.7809e-06 18053 1 1 1 1 116 ASN HB2 2.215 . 2.8 0.34 8.5326e-02 18053 1 1 1 1 116 ASN HB3 1.122 S 2.78 0.34 1.0800e-06 18053 1 1 1 1 116 ASN HD21 7.249 . 7.27 0.52 9.6779e-01 18053 1 1 1 1 116 ASN HD22 7.459 . 7.2 0.52 6.1843e-01 18053 1 1 1 1 116 ASN N 121.179 . 119.13 4.42 6.4295e-01 18053 1 1 1 1 116 ASN ND2 112.855 . 112.83 2.6 9.9233e-01 18053 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 52 ARG GLY 0.72 18053 1 1 1 1 52 ARG ARG 0.14 18053 1 1 1 1 52 ARG LYS 0.13 18053 1 1 1 1 101 GLN ARG 0.55 18053 1 1 1 1 101 GLN LYS 0.19 18053 1 1 1 1 101 GLN PRO 0.18 18053 1 1 1 1 101 GLN MET 0.04 18053 1 1 1 1 101 GLN GLN 0.01 18053 1 1 1 1 116 ASN ASN 0.75 18053 1 1 1 1 116 ASN MET 0.05 18053 1 1 1 1 116 ASN TYR 0.04 18053 1 1 1 1 116 ASN ASP 0.03 18053 1 1 1 1 116 ASN PRO 0.03 18053 1 1 1 1 116 ASN GLU 0.02 18053 1 1 1 1 116 ASN PHE 0.02 18053 1 1 1 1 116 ASN LYS 0.01 18053 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18053 _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 18053 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18053 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18053 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18053 _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_