data_AVS_bmrb_pdb_report_15335 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15335 _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 54 ALA Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15335 1 1 1 1 59 TRP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15335 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 54 ALA C 177.242 . 177.8 2.18 7.9798e-01 15335 1 1 1 1 54 ALA CA 52.835 . 53.16 2.06 8.7464e-01 15335 1 1 1 1 54 ALA CB 17.021 . 18.9 1.85 3.0978e-01 15335 1 1 1 1 54 ALA H 8.187 . 8.2 0.6 9.8271e-01 15335 1 1 1 1 54 ALA HA 1.694 A 4.26 0.42 9.9929e-10 15335 1 1 1 1 54 ALA HB1 0.896 . 1.38 0.25 5.2868e-02 15335 1 1 1 1 54 ALA HB2 0.896 . 1.38 0.25 5.2868e-02 15335 1 1 1 1 54 ALA HB3 0.896 . 1.38 0.25 5.2868e-02 15335 1 1 1 1 54 ALA N 129.467 . 123.23 3.7 9.1858e-02 15335 1 1 1 1 59 TRP C 178.058 . 176.1 1.89 3.0021e-01 15335 1 1 1 1 59 TRP CA 60.823 . 57.71 2.65 2.4011e-01 15335 1 1 1 1 59 TRP CB 30.183 . 30.16 2.19 9.9162e-01 15335 1 1 1 1 59 TRP CD1 130.934 A 126.16 1.76 6.6778e-03 15335 1 1 1 1 59 TRP CE3 118.579 . 120.38 1.5 2.2988e-01 15335 1 1 1 1 59 TRP CZ2 116.177 . 114.19 1.09 6.8313e-02 15335 1 1 1 1 59 TRP CZ3 122.482 . 121.57 1.76 6.0433e-01 15335 1 1 1 1 59 TRP CH2 125.218 . 123.75 1.34 2.7329e-01 15335 1 1 1 1 59 TRP H 6.666 . 8.35 0.84 4.4989e-02 15335 1 1 1 1 59 TRP HA 4.330 . 4.74 0.55 4.5600e-01 15335 1 1 1 1 59 TRP HB2 3.490 . 3.22 0.36 4.5325e-01 15335 1 1 1 1 59 TRP HB3 3.094 . 3.18 0.36 8.1119e-01 15335 1 1 1 1 59 TRP HD1 7.359 . 7.16 0.34 5.5835e-01 15335 1 1 1 1 59 TRP HE1 10.695 . 10.13 0.53 2.8641e-01 15335 1 1 1 1 59 TRP HE3 7.670 . 7.17 1.03 6.2737e-01 15335 1 1 1 1 59 TRP HZ2 7.748 . 7.14 0.89 4.9451e-01 15335 1 1 1 1 59 TRP HZ3 7.243 . 6.68 1.02 5.8098e-01 15335 1 1 1 1 59 TRP HH2 7.521 . 6.82 0.94 4.5582e-01 15335 1 1 1 1 59 TRP N 123.659 . 121.87 4.58 6.9608e-01 15335 1 1 1 1 59 TRP NE1 133.403 . 129.48 2.56 1.2542e-01 15335 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 54 ALA ALA 0.6 15335 1 1 1 1 54 ALA MET 0.37 15335 1 1 1 1 54 ALA CYS 0.01 15335 1 1 1 1 59 TRP CYS 0.76 15335 1 1 1 1 59 TRP HIS 0.18 15335 1 1 1 1 59 TRP TRP 0.05 15335 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15335 _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.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 15335 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15335 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15335 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15335 _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_