data_AVS_bmrb_pdb_report_4830 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4830 _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 4830 1 1 1 1 120 PHE Anomalous Indeterminable Consistent Anomalous Indeterminable Consistent . . 4830 1 1 1 1 123 ASN Anomalous Indeterminable Consistent Suspicious Indeterminable Anomalous . . 4830 1 1 1 1 126 ASN Anomalous Indeterminable Consistent Consistent Indeterminable Anomalous . . 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 4830 1 1 1 1 120 PHE H 8.73 . 8.42 0.74 6.7528e-01 4830 1 1 1 1 120 PHE HA 5.94 . 4.62 0.58 2.2854e-02 4830 1 1 1 1 120 PHE HB2 4.15 . 2.99 0.37 1.7177e-03 4830 1 1 1 1 120 PHE HB3 3.16 . 2.97 0.38 6.1707e-01 4830 1 1 1 1 120 PHE HD1 8.08 M 6.91 0.82 1.5363e-01 4830 1 1 1 1 120 PHE HD2 7.09 . 6.89 0.86 8.1610e-01 4830 1 1 1 1 120 PHE HE1 7.46 . 6.95 0.82 5.3397e-01 4830 1 1 1 1 120 PHE HE2 6.43 . 6.94 0.86 5.5317e-01 4830 1 1 1 1 120 PHE HZ 6.54 . 6.92 0.8 6.3479e-01 4830 1 1 1 1 120 PHE N 115.39 . 120.69 4.18 2.0482e-01 4830 1 1 1 1 123 ASN H 12.06 S 8.37 0.65 1.3714e-08 4830 1 1 1 1 123 ASN HA 4.23 . 4.7 0.39 2.2815e-01 4830 1 1 1 1 123 ASN HB2 2.90 . 2.8 0.34 7.6867e-01 4830 1 1 1 1 123 ASN HB3 2.08 . 2.78 0.34 3.9511e-02 4830 1 1 1 1 123 ASN HD21 7.15 . 7.27 0.52 8.1749e-01 4830 1 1 1 1 123 ASN HD22 6.47 . 7.2 0.52 1.6036e-01 4830 1 1 1 1 123 ASN N 135.85 M 119.13 4.42 1.5507e-04 4830 1 1 1 1 123 ASN ND2 110.95 . 112.83 2.6 4.6963e-01 4830 1 1 1 1 126 ASN H 8.69 . 8.37 0.65 6.2250e-01 4830 1 1 1 1 126 ASN HA 5.23 . 4.7 0.39 1.7415e-01 4830 1 1 1 1 126 ASN HB2 2.53 . 2.8 0.34 4.2713e-01 4830 1 1 1 1 126 ASN HB3 2.14 . 2.78 0.34 5.9788e-02 4830 1 1 1 1 126 ASN HD22 8.34 . 7.2 0.52 2.8357e-02 4830 1 1 1 1 126 ASN N 121.98 . 119.13 4.42 5.1906e-01 4830 1 1 1 1 126 ASN ND2 133.59 M 112.83 2.6 1.4096e-15 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4830 _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 4830 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 4830 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4830 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4830 _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_