data_AVS_bmrb_pdb_report_36115 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 36115 _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 22 ASN Anomalous Indeterminable Consistent Anomalous Indeterminable Consistent . . 36115 1 1 1 1 30 TRP Anomalous Indeterminable Consistent Consistent Indeterminable Anomalous . . 36115 1 1 1 1 34 ARG Anomalous Indeterminable Consistent Consistent Indeterminable Anomalous . . 36115 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 22 ASN H 8.622 . 8.34 0.63 6.5443e-01 36115 1 1 1 1 22 ASN HA 3.999 . 4.67 0.36 6.2338e-02 36115 1 1 1 1 22 ASN HB2 2.470 . 2.81 0.31 2.7274e-01 36115 1 1 1 1 22 ASN HB3 -0.123 A 2.75 0.33 3.1462e-18 36115 1 1 1 1 22 ASN HD21 6.625 . 7.35 0.48 1.3094e-01 36115 1 1 1 1 22 ASN HD22 5.816 . 7.14 0.49 6.8915e-03 36115 1 1 1 1 22 ASN N 124.398 . 118.93 4.03 1.7484e-01 36115 1 1 1 1 22 ASN ND2 109.943 . 112.75 2.23 2.0812e-01 36115 1 1 1 1 30 TRP H 9.182 . 8.29 0.79 2.5885e-01 36115 1 1 1 1 30 TRP HA 5.267 . 4.68 0.53 2.6806e-01 36115 1 1 1 1 30 TRP HB2 3.677 . 3.19 0.35 1.6410e-01 36115 1 1 1 1 30 TRP HB3 3.082 . 3.12 0.36 9.1594e-01 36115 1 1 1 1 30 TRP HD1 7.313 . 7.14 0.36 6.3083e-01 36115 1 1 1 1 30 TRP HE1 10.259 . 10.08 0.66 7.8623e-01 36115 1 1 1 1 30 TRP HE3 8.233 . 7.31 0.41 2.4372e-02 36115 1 1 1 1 30 TRP HZ2 7.191 . 7.28 0.33 7.8739e-01 36115 1 1 1 1 30 TRP HZ3 6.830 . 6.86 0.4 9.4021e-01 36115 1 1 1 1 30 TRP HH2 7.030 . 6.98 0.39 8.9799e-01 36115 1 1 1 1 30 TRP N 124.947 . 121.68 4.18 4.3446e-01 36115 1 1 1 1 30 TRP NE1 107.631 A 129.32 2.11 8.7499e-25 36115 1 1 1 1 34 ARG H 8.383 . 8.24 0.61 8.1465e-01 36115 1 1 1 1 34 ARG HA 3.863 . 4.3 0.46 3.4211e-01 36115 1 1 1 1 34 ARG HB2 1.154 . 1.79 0.27 1.8495e-02 36115 1 1 1 1 34 ARG HB3 1.474 . 1.76 0.28 3.0705e-01 36115 1 1 1 1 34 ARG HG2 1.832 . 1.57 0.27 3.3186e-01 36115 1 1 1 1 34 ARG HG3 1.731 . 1.54 0.29 5.1014e-01 36115 1 1 1 1 34 ARG HD2 2.895 . 3.12 0.24 3.4850e-01 36115 1 1 1 1 34 ARG HD3 2.794 . 3.1 0.26 2.3923e-01 36115 1 1 1 1 34 ARG HE 8.661 . 7.4 0.63 4.5329e-02 36115 1 1 1 1 34 ARG N 118.759 . 120.8 3.68 5.7915e-01 36115 1 1 1 1 34 ARG NE 106.968 A 84.63 1.68 2.4279e-40 36115 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 36115 _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 36115 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 36115 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 36115 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 36115 _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_