data_AVS_bmrb_pdb_report_15433 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15433 _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 15433 1 1 1 1 7 TYR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15433 1 1 1 1 43 HIS 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 15433 1 1 1 1 7 TYR C 174.100 . 175.39 1.89 4.9490e-01 15433 1 1 1 1 7 TYR CA 56.300 . 58.02 2.64 5.1471e-01 15433 1 1 1 1 7 TYR CB 42.100 . 39.16 2.23 1.8737e-01 15433 1 1 1 1 7 TYR CG 131.250 M 129.29 1.21 1.0527e-01 15433 1 1 1 1 7 TYR CD1 133.768 . 132.54 1.35 3.6302e-01 15433 1 1 1 1 7 TYR CD2 133.768 . 132.26 1.99 4.4858e-01 15433 1 1 1 1 7 TYR CE1 117.702 . 117.81 2.09 9.5879e-01 15433 1 1 1 1 7 TYR CE2 117.702 . 117.91 2.6 9.3624e-01 15433 1 1 1 1 7 TYR CZ 158.081 . 156.37 2.5 4.9372e-01 15433 1 1 1 1 7 TYR H 9.193 . 8.37 0.75 2.7250e-01 15433 1 1 1 1 7 TYR HA 5.200 . 4.63 0.56 3.0875e-01 15433 1 1 1 1 7 TYR HB2 2.510 . 2.91 0.37 2.7966e-01 15433 1 1 1 1 7 TYR HB3 2.680 . 2.91 0.37 5.3419e-01 15433 1 1 1 1 7 TYR HD1 6.738 . 6.87 0.65 8.3907e-01 15433 1 1 1 1 7 TYR HD2 6.738 . 6.86 0.68 8.5761e-01 15433 1 1 1 1 7 TYR HE1 6.583 . 6.64 0.58 9.2171e-01 15433 1 1 1 1 7 TYR HE2 6.583 . 6.63 0.61 9.3858e-01 15433 1 1 1 1 7 TYR N 123.731 . 120.79 4.69 5.3061e-01 15433 1 1 1 1 43 HIS C 174.100 . 175.19 2.14 6.1051e-01 15433 1 1 1 1 43 HIS CA 53.100 . 56.37 2.4 1.7304e-01 15433 1 1 1 1 43 HIS CB 34.700 . 29.95 2.15 2.7154e-02 15433 1 1 1 1 43 HIS CG 135.970 . 130.59 3.41 1.1463e-01 15433 1 1 1 1 43 HIS CD2 116.282 . 119.84 3.3 2.8095e-01 15433 1 1 1 1 43 HIS H 8.956 . 8.25 0.74 3.4006e-01 15433 1 1 1 1 43 HIS HA 5.520 . 4.62 0.51 7.7613e-02 15433 1 1 1 1 43 HIS HB2 2.520 . 3.12 0.43 1.6291e-01 15433 1 1 1 1 43 HIS HB3 3.310 . 3.11 0.45 6.5672e-01 15433 1 1 1 1 43 HIS HD1 6.580 . 10.14 3.5 3.0909e-01 15433 1 1 1 1 43 HIS HD2 6.654 . 7.08 0.5 3.9421e-01 15433 1 1 1 1 43 HIS N 133.809 M 119.44 4.52 1.4779e-03 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 15433 1 1 1 1 7 TYR CYS 0.49 15433 1 1 1 1 7 TYR TYR 0.48 15433 1 1 1 1 7 TYR GLY 0.02 15433 1 1 1 1 43 HIS CYS 0.88 15433 1 1 1 1 43 HIS HIS 0.06 15433 1 1 1 1 43 HIS TYR 0.04 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15433 _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 15433 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 15433 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15433 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15433 _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_