data_AVS_bmrb_pdb_report_15553 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15553 _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 15553 1 1 1 1 54 GLN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15553 1 1 1 1 70 ASN Anomalous Consistent Consistent Consistent Consistent 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 15553 1 1 1 1 54 GLN C 173.99 . 176.39 1.96 2.2077e-01 15553 1 1 1 1 54 GLN CA 53.27 . 56.62 2.19 1.2610e-01 15553 1 1 1 1 54 GLN CB 28.86 . 29.1 1.97 9.0304e-01 15553 1 1 1 1 54 GLN CG 33.63 . 33.72 1.1 9.3479e-01 15553 1 1 1 1 54 GLN CD 181.32 M 179.68 1.17 1.6100e-01 15553 1 1 1 1 54 GLN H 8.11 . 8.22 0.62 8.5918e-01 15553 1 1 1 1 54 GLN HA 4.52 . 4.28 0.44 5.8544e-01 15553 1 1 1 1 54 GLN HB2 2.33 . 2.05 0.28 3.1731e-01 15553 1 1 1 1 54 GLN HB3 1.87 . 2.04 0.29 5.5774e-01 15553 1 1 1 1 54 GLN HG2 2.32 . 2.32 0.29 1.0000e+00 15553 1 1 1 1 54 GLN HG3 2.32 . 2.32 0.29 1.0000e+00 15553 1 1 1 1 54 GLN HE21 6.84 . 7.17 0.46 4.7313e-01 15553 1 1 1 1 54 GLN HE22 7.51 . 7.07 0.49 3.6921e-01 15553 1 1 1 1 54 GLN N 121.64 . 119.92 4.01 6.6798e-01 15553 1 1 1 1 54 GLN NE2 111.86 . 111.81 2.2 9.8187e-01 15553 1 1 1 1 70 ASN C 173.58 . 175.16 1.76 3.6933e-01 15553 1 1 1 1 70 ASN CA 54.29 . 53.43 1.94 6.5755e-01 15553 1 1 1 1 70 ASN CB 38.12 . 38.66 1.78 7.6161e-01 15553 1 1 1 1 70 ASN CG 175.52 . 176.61 1.33 4.1247e-01 15553 1 1 1 1 70 ASN H 9.13 . 8.37 0.65 2.4231e-01 15553 1 1 1 1 70 ASN HA 4.19 . 4.7 0.39 1.9098e-01 15553 1 1 1 1 70 ASN HB2 3.23 . 2.8 0.34 2.0598e-01 15553 1 1 1 1 70 ASN HB3 2.95 . 2.78 0.34 6.1707e-01 15553 1 1 1 1 70 ASN HD22 8.44 . 7.2 0.52 1.7097e-02 15553 1 1 1 1 70 ASN N 111.05 . 119.13 4.42 6.7542e-02 15553 1 1 1 1 70 ASN ND2 130.61 M 112.83 2.6 8.0048e-12 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 15553 1 1 1 1 54 GLN CYS 0.47 15553 1 1 1 1 54 GLN GLN 0.36 15553 1 1 1 1 54 GLN GLU 0.15 15553 1 1 1 1 70 ASN ASN 0.52 15553 1 1 1 1 70 ASN CYS 0.35 15553 1 1 1 1 70 ASN ASP 0.11 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15553 _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 15553 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 15553 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15553 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15553 _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_