data_AVS_bmrb_pdb_report_6922 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6922 _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 6922 1 1 1 1 69 PHE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6922 1 1 1 1 86 TYR 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 6922 1 1 1 1 69 PHE C 178.676 . 175.49 2.13 1.3471e-01 6922 1 1 1 1 69 PHE CA 57.243 . 58.25 2.73 7.1223e-01 6922 1 1 1 1 69 PHE CB 36.978 . 39.95 2.04 1.4515e-01 6922 1 1 1 1 69 PHE CD1 133.699 . 131.38 1.38 9.2873e-02 6922 1 1 1 1 69 PHE CZ 128.179 . 129.11 1.68 5.7946e-01 6922 1 1 1 1 69 PHE H 9.713 . 8.42 0.74 8.0586e-02 6922 1 1 1 1 69 PHE HA 4.463 . 4.62 0.58 7.8663e-01 6922 1 1 1 1 69 PHE HB2 3.288 . 2.99 0.37 4.2059e-01 6922 1 1 1 1 69 PHE HB3 4.112 M 2.97 0.38 2.6535e-03 6922 1 1 1 1 69 PHE HD1 7.117 . 6.91 0.82 8.0070e-01 6922 1 1 1 1 69 PHE HE1 7.113 . 6.95 0.82 8.4243e-01 6922 1 1 1 1 69 PHE HZ 6.780 . 6.92 0.8 8.6108e-01 6922 1 1 1 1 69 PHE N 117.129 . 120.69 4.18 3.9426e-01 6922 1 1 1 1 86 TYR C 181.242 M 175.39 1.89 1.9595e-03 6922 1 1 1 1 86 TYR CA 61.419 . 58.02 2.64 1.9792e-01 6922 1 1 1 1 86 TYR CB 39.401 . 39.16 2.23 9.1394e-01 6922 1 1 1 1 86 TYR CD1 133.991 . 132.54 1.35 2.8246e-01 6922 1 1 1 1 86 TYR CE1 118.628 . 117.81 2.09 6.9551e-01 6922 1 1 1 1 86 TYR H 7.674 . 8.37 0.75 3.5341e-01 6922 1 1 1 1 86 TYR HA 4.365 . 4.63 0.56 6.3606e-01 6922 1 1 1 1 86 TYR HB2 3.014 . 2.91 0.37 7.7865e-01 6922 1 1 1 1 86 TYR HB3 3.193 . 2.91 0.37 4.4435e-01 6922 1 1 1 1 86 TYR HD1 7.343 . 6.87 0.65 4.6680e-01 6922 1 1 1 1 86 TYR HE1 6.730 . 6.64 0.58 8.7669e-01 6922 1 1 1 1 86 TYR N 123.360 . 120.79 4.69 5.8371e-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 6922 1 1 1 1 69 PHE CYS 0.49 6922 1 1 1 1 69 PHE TYR 0.35 6922 1 1 1 1 69 PHE PHE 0.13 6922 1 1 1 1 69 PHE TRP 0.01 6922 1 1 1 1 69 PHE HIS 0.01 6922 1 1 1 1 86 TYR TYR 0.6 6922 1 1 1 1 86 TYR CYS 0.39 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6922 _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 6922 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 6922 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6922 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6922 _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_