data_AVS_bmrb_pdb_report_25864 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25864 _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 16 VAL Anomalous Consistent Consistent Consistent Anomalous Consistent . . 25864 1 1 1 1 24 ASN Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD22 > HA" 0.9966 25864 1 1 1 1 33 LYS Anomalous Suspicious Consistent Suspicious Anomalous Consistent . . 25864 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 16 VAL CA 64.4000 . 62.49 2.86 5.0424e-01 25864 1 1 1 1 16 VAL CB 31.7000 . 32.73 1.79 5.6501e-01 25864 1 1 1 1 16 VAL CG1 20.7000 . 21.49 1.36 5.6132e-01 25864 1 1 1 1 16 VAL CG2 31.7000 A 21.26 1.56 2.1968e-11 25864 1 1 1 1 16 VAL H 8.0600 . 8.29 0.67 7.3138e-01 25864 1 1 1 1 16 VAL HA 4.0600 . 4.19 0.58 8.2265e-01 25864 1 1 1 1 16 VAL HB 2.2900 . 1.98 0.32 3.3267e-01 25864 1 1 1 1 16 VAL HG11 1.0240 . 0.83 0.26 4.5557e-01 25864 1 1 1 1 16 VAL HG12 1.0240 . 0.83 0.26 4.5557e-01 25864 1 1 1 1 16 VAL HG13 1.0240 . 0.83 0.26 4.5557e-01 25864 1 1 1 1 16 VAL HG21 1.0500 . 0.8 0.28 3.7193e-01 25864 1 1 1 1 16 VAL HG22 1.0500 . 0.8 0.28 3.7193e-01 25864 1 1 1 1 16 VAL HG23 1.0500 . 0.8 0.28 3.7193e-01 25864 1 1 1 1 16 VAL N 116.2000 . 121.14 4.54 2.7655e-01 25864 1 1 1 1 24 ASN CA 51.1000 . 53.54 1.88 1.9433e-01 25864 1 1 1 1 24 ASN CB 37.9000 . 38.69 1.69 6.4017e-01 25864 1 1 1 1 24 ASN H 8.3000 . 8.34 0.63 9.4937e-01 25864 1 1 1 1 24 ASN HA 4.5000 . 4.67 0.36 6.3677e-01 25864 1 1 1 1 24 ASN HB2 1.9870 . 2.81 0.31 7.9346e-03 25864 1 1 1 1 24 ASN HB3 -0.3900 A 2.75 0.33 1.8145e-21 25864 1 1 1 1 24 ASN HD21 6.6900 . 7.35 0.48 1.6913e-01 25864 1 1 1 1 24 ASN HD22 4.2500 S 7.14 0.49 3.6802e-09 25864 1 1 1 1 24 ASN N 127.6150 . 118.93 4.03 3.1155e-02 25864 1 1 1 1 24 ASN ND2 110.1600 . 112.75 2.23 2.4546e-01 25864 1 1 1 1 33 LYS CA 55.3000 . 56.95 2.2 4.5325e-01 25864 1 1 1 1 33 LYS CB 33.6800 . 32.79 1.78 6.1707e-01 25864 1 1 1 1 33 LYS CG 24.3000 . 24.89 1.13 6.0158e-01 25864 1 1 1 1 33 LYS CD 42.0000 A 28.96 1.08 1.4478e-33 25864 1 1 1 1 33 LYS H 7.5410 . 8.19 0.6 2.7940e-01 25864 1 1 1 1 33 LYS HA 4.3400 . 4.27 0.44 8.7360e-01 25864 1 1 1 1 33 LYS HB2 1.6800 . 1.78 0.25 6.8916e-01 25864 1 1 1 1 33 LYS HB3 1.5800 . 1.74 0.27 5.5345e-01 25864 1 1 1 1 33 LYS HG2 1.3300 . 1.37 0.26 8.7773e-01 25864 1 1 1 1 33 LYS HG3 1.2700 . 1.35 0.28 7.7510e-01 25864 1 1 1 1 33 LYS HD2 2.9300 S 1.61 0.22 1.9732e-09 25864 1 1 1 1 33 LYS HD3 2.9200 S 1.6 0.22 1.9732e-09 25864 1 1 1 1 33 LYS N 120.3870 . 121.05 3.77 8.6040e-01 25864 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 16 VAL LYS 0.99 25864 1 1 1 1 24 ASN ASN 0.85 25864 1 1 1 1 24 ASN ASP 0.08 25864 1 1 1 1 24 ASN TYR 0.03 25864 1 1 1 1 24 ASN LEU 0.01 25864 1 1 1 1 33 LYS ARG 0.71 25864 1 1 1 1 33 LYS GLY 0.28 25864 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25864 _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 25864 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25864 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25864 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25864 _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_