data_AVS_bmrb_pdb_report_10131 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10131 _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 10131 1 1 1 1 21 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10131 1 1 1 1 52 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 10131 1 1 1 1 21 LEU C 174.830 . 176.97 2.09 3.0587e-01 10131 1 1 1 1 21 LEU CA 54.373 . 55.65 2.21 5.6338e-01 10131 1 1 1 1 21 LEU CB 47.212 . 42.37 1.86 9.2351e-03 10131 1 1 1 1 21 LEU CG 26.223 . 26.77 1.25 6.6168e-01 10131 1 1 1 1 21 LEU CD1 23.356 . 24.73 1.71 4.2168e-01 10131 1 1 1 1 21 LEU CD2 24.627 . 24.1 1.78 7.6718e-01 10131 1 1 1 1 21 LEU H 9.311 . 8.22 0.65 9.3257e-02 10131 1 1 1 1 21 LEU HA 4.543 . 4.32 0.47 6.3517e-01 10131 1 1 1 1 21 LEU HB2 1.066 . 1.63 0.34 9.7151e-02 10131 1 1 1 1 21 LEU HB3 0.555 . 1.57 0.36 4.8107e-03 10131 1 1 1 1 21 LEU HG 0.770 . 1.54 0.33 1.9631e-02 10131 1 1 1 1 21 LEU HD1 -1.336 M 0.77 0.27 6.1907e-15 10131 1 1 1 1 21 LEU HD2 0.579 . 0.76 0.28 5.1800e-01 10131 1 1 1 1 21 LEU N 121.886 . 121.98 4.07 9.8157e-01 10131 1 1 1 1 52 ASN C 175.928 . 175.16 1.76 6.6257e-01 10131 1 1 1 1 52 ASN CA 51.077 . 53.43 1.94 2.2517e-01 10131 1 1 1 1 52 ASN CB 38.536 . 38.66 1.78 9.4446e-01 10131 1 1 1 1 52 ASN H 9.380 . 8.37 0.65 1.2022e-01 10131 1 1 1 1 52 ASN HA 2.640 M 4.7 0.39 1.2775e-07 10131 1 1 1 1 52 ASN HB2 1.913 . 2.8 0.34 9.0854e-03 10131 1 1 1 1 52 ASN HB3 2.491 . 2.78 0.34 3.9533e-01 10131 1 1 1 1 52 ASN HD21 7.530 . 7.27 0.52 6.1707e-01 10131 1 1 1 1 52 ASN HD22 6.830 . 7.2 0.52 4.7675e-01 10131 1 1 1 1 52 ASN N 120.875 . 119.13 4.42 6.9299e-01 10131 1 1 1 1 52 ASN ND2 112.580 . 112.83 2.6 9.2340e-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 10131 1 1 1 1 21 LEU CYS 0.46 10131 1 1 1 1 21 LEU GLY 0.25 10131 1 1 1 1 21 LEU LEU 0.21 10131 1 1 1 1 21 LEU ALA 0.06 10131 1 1 1 1 52 ASN ASN 0.58 10131 1 1 1 1 52 ASN CYS 0.17 10131 1 1 1 1 52 ASN ASP 0.13 10131 1 1 1 1 52 ASN TYR 0.03 10131 1 1 1 1 52 ASN PHE 0.03 10131 1 1 1 1 52 ASN LEU 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10131 _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 10131 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 10131 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 10131 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10131 _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_