data_AVS_bmrb_pdb_report_6476 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6476 _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 6476 1 1 1 1 20 GLN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6476 1 1 1 1 35 TYR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6476 1 1 1 1 61 VAL Anomalous Consistent Consistent Consistent Anomalous 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 6476 1 1 1 1 20 GLN C 176.747 . 176.39 1.96 8.5547e-01 6476 1 1 1 1 20 GLN CA 55.198 . 56.62 2.19 5.1613e-01 6476 1 1 1 1 20 GLN CB 28.835 . 29.1 1.97 8.9299e-01 6476 1 1 1 1 20 GLN CG 33.655 . 33.72 1.1 9.5288e-01 6476 1 1 1 1 20 GLN CD 181.347 M 179.68 1.17 1.5422e-01 6476 1 1 1 1 20 GLN H 7.367 . 8.22 0.62 1.6888e-01 6476 1 1 1 1 20 GLN HA 4.216 . 4.28 0.44 8.8435e-01 6476 1 1 1 1 20 GLN HB2 2.251 . 2.05 0.28 4.7285e-01 6476 1 1 1 1 20 GLN HB3 1.955 . 2.04 0.29 7.6944e-01 6476 1 1 1 1 20 GLN HG2 2.357 . 2.32 0.29 8.9848e-01 6476 1 1 1 1 20 GLN HG3 2.559 . 2.32 0.29 4.0986e-01 6476 1 1 1 1 20 GLN HE21 7.005 . 7.17 0.46 7.1982e-01 6476 1 1 1 1 20 GLN HE22 7.553 . 7.07 0.49 3.2427e-01 6476 1 1 1 1 20 GLN N 110.945 . 119.92 4.01 2.5211e-02 6476 1 1 1 1 20 GLN NE2 112.090 . 111.81 2.2 8.9872e-01 6476 1 1 1 1 35 TYR C 180.795 M 175.39 1.89 4.2392e-03 6476 1 1 1 1 35 TYR CA 62.150 . 58.02 2.64 1.1772e-01 6476 1 1 1 1 35 TYR CB 39.136 . 39.16 2.23 9.9141e-01 6476 1 1 1 1 35 TYR CD1 132.959 . 132.54 1.35 7.5628e-01 6476 1 1 1 1 35 TYR CD2 132.959 . 132.26 1.99 7.2540e-01 6476 1 1 1 1 35 TYR CE1 118.269 . 117.81 2.09 8.2617e-01 6476 1 1 1 1 35 TYR CE2 118.269 . 117.91 2.6 8.9018e-01 6476 1 1 1 1 35 TYR H 8.118 . 8.37 0.75 7.3687e-01 6476 1 1 1 1 35 TYR HA 4.230 . 4.63 0.56 4.7505e-01 6476 1 1 1 1 35 TYR HB2 3.187 . 2.91 0.37 4.5407e-01 6476 1 1 1 1 35 TYR HB3 3.202 . 2.91 0.37 4.3000e-01 6476 1 1 1 1 35 TYR HD1 7.050 . 6.87 0.65 7.8184e-01 6476 1 1 1 1 35 TYR HE1 6.814 . 6.64 0.58 7.6418e-01 6476 1 1 1 1 35 TYR N 118.513 . 120.79 4.69 6.2732e-01 6476 1 1 1 1 61 VAL C 181.611 M 175.69 2.03 3.5370e-03 6476 1 1 1 1 61 VAL CA 65.186 . 62.48 3.04 3.7340e-01 6476 1 1 1 1 61 VAL CB 31.549 . 32.66 1.91 5.6079e-01 6476 1 1 1 1 61 VAL CG1 22.649 . 21.38 1.53 4.0687e-01 6476 1 1 1 1 61 VAL CG2 21.160 . 21.31 1.76 9.3208e-01 6476 1 1 1 1 61 VAL H 8.465 . 8.29 0.71 8.0531e-01 6476 1 1 1 1 61 VAL HA 4.163 . 4.16 0.57 9.9580e-01 6476 1 1 1 1 61 VAL HB 2.155 . 1.99 0.33 6.1707e-01 6476 1 1 1 1 61 VAL HG1 0.787 . 0.84 0.27 8.4438e-01 6476 1 1 1 1 61 VAL HG2 0.924 . 0.83 0.29 7.4583e-01 6476 1 1 1 1 61 VAL N 121.818 . 121.02 4.96 8.7218e-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 6476 1 1 1 1 20 GLN CYS 0.43 6476 1 1 1 1 20 GLN GLN 0.34 6476 1 1 1 1 20 GLN GLU 0.21 6476 1 1 1 1 35 TYR TYR 0.71 6476 1 1 1 1 35 TYR CYS 0.28 6476 1 1 1 1 61 VAL VAL 0.91 6476 1 1 1 1 61 VAL CYS 0.08 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6476 _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 6476 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 6476 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6476 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6476 _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_