data_AVS_bmrb_pdb_report_18920 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18920 _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 9 VAL Anomalous Consistent Consistent Consistent Anomalous Consistent . . 18920 1 1 1 1 31 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 18920 1 1 1 1 32 VAL Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HB" 0.9996 18920 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 9 VAL C 205.699 A 175.62 1.9 1.9002e-56 18920 1 1 1 1 9 VAL CA 59.709 . 62.49 2.86 3.3086e-01 18920 1 1 1 1 9 VAL CB 32.239 . 32.73 1.79 7.8385e-01 18920 1 1 1 1 9 VAL CG1 20.146 . 21.49 1.36 3.2304e-01 18920 1 1 1 1 9 VAL H 8.081 . 8.29 0.67 7.5509e-01 18920 1 1 1 1 9 VAL HA 4.230 . 4.19 0.58 9.4502e-01 18920 1 1 1 1 9 VAL HB 1.897 . 1.98 0.32 7.9535e-01 18920 1 1 1 1 9 VAL HG11 0.757 . 0.83 0.26 7.7889e-01 18920 1 1 1 1 9 VAL HG12 0.757 . 0.83 0.26 7.7889e-01 18920 1 1 1 1 9 VAL HG13 0.757 . 0.83 0.26 7.7889e-01 18920 1 1 1 1 9 VAL N 121.898 . 121.14 4.54 8.6740e-01 18920 1 1 1 1 31 LEU C 174.538 . 176.99 1.98 2.1557e-01 18920 1 1 1 1 31 LEU CA 53.159 . 55.62 2.13 2.4793e-01 18920 1 1 1 1 31 LEU CB 40.939 . 42.31 1.88 4.6585e-01 18920 1 1 1 1 31 LEU CG 25.820 . 26.78 1.1 3.8281e-01 18920 1 1 1 1 31 LEU CD1 20.282 . 24.72 1.59 5.2514e-03 18920 1 1 1 1 31 LEU H 8.241 . 8.23 0.65 9.8650e-01 18920 1 1 1 1 31 LEU HA 3.726 . 4.32 0.47 2.0629e-01 18920 1 1 1 1 31 LEU HB2 0.728 . 1.61 0.34 9.4834e-03 18920 1 1 1 1 31 LEU HB3 -1.502 A 1.52 0.36 4.6810e-17 18920 1 1 1 1 31 LEU HG 0.306 S 1.51 0.33 2.6379e-04 18920 1 1 1 1 31 LEU HD11 -0.599 S 0.75 0.28 1.4511e-06 18920 1 1 1 1 31 LEU HD12 -0.599 S 0.75 0.28 1.4511e-06 18920 1 1 1 1 31 LEU HD13 -0.599 S 0.75 0.28 1.4511e-06 18920 1 1 1 1 31 LEU N 128.030 . 121.86 3.9 1.1364e-01 18920 1 1 1 1 32 VAL C 172.489 . 175.62 1.9 9.9374e-02 18920 1 1 1 1 32 VAL CA 60.574 . 62.49 2.86 5.0290e-01 18920 1 1 1 1 32 VAL CB 33.465 . 32.73 1.79 6.8135e-01 18920 1 1 1 1 32 VAL CG1 19.706 . 21.49 1.36 1.8960e-01 18920 1 1 1 1 32 VAL CG2 21.096 . 21.26 1.56 9.1627e-01 18920 1 1 1 1 32 VAL H 8.706 . 8.29 0.67 5.3467e-01 18920 1 1 1 1 32 VAL HA 1.221 S 4.19 0.58 3.0722e-07 18920 1 1 1 1 32 VAL HB 3.958 A 1.98 0.32 6.3596e-10 18920 1 1 1 1 32 VAL HG11 0.026 . 0.83 0.26 1.9861e-03 18920 1 1 1 1 32 VAL HG12 0.026 . 0.83 0.26 1.9861e-03 18920 1 1 1 1 32 VAL HG13 0.026 . 0.83 0.26 1.9861e-03 18920 1 1 1 1 32 VAL HG21 -0.445 S 0.8 0.28 8.7310e-06 18920 1 1 1 1 32 VAL HG22 -0.445 S 0.8 0.28 8.7310e-06 18920 1 1 1 1 32 VAL HG23 -0.445 S 0.8 0.28 8.7310e-06 18920 1 1 1 1 32 VAL N 125.460 . 121.14 4.54 3.4133e-01 18920 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 9 VAL VAL 0.84 18920 1 1 1 1 9 VAL MET 0.13 18920 1 1 1 1 9 VAL ILE 0.01 18920 1 1 1 1 31 LEU LEU 0.91 18920 1 1 1 1 31 LEU ILE 0.06 18920 1 1 1 1 31 LEU GLY 0.02 18920 1 1 1 1 32 VAL VAL 0.99 18920 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18920 _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 18920 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18920 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18920 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18920 _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_