data_AVS_bmrb_pdb_report_15972 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15972 _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 25 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 15972 1 1 1 1 41 TRP Anomalous Consistent Consistent Consistent Consistent Anomalous . . 15972 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 25 ARG C 175.343 . 176.49 2.16 5.9541e-01 15972 1 1 1 1 25 ARG CA 55.312 . 56.95 2.41 4.9671e-01 15972 1 1 1 1 25 ARG CB 32.449 . 30.66 1.77 3.1214e-01 15972 1 1 1 1 25 ARG CG 27.242 . 27.31 1.65 9.6713e-01 15972 1 1 1 1 25 ARG CD 43.397 . 43.1 1.1 7.8716e-01 15972 1 1 1 1 25 ARG H 8.784 . 8.24 0.6 3.6458e-01 15972 1 1 1 1 25 ARG HA 4.732 . 4.27 0.44 2.9372e-01 15972 1 1 1 1 25 ARG HB2 0.862 S 1.79 0.28 9.1878e-04 15972 1 1 1 1 25 ARG HB3 1.482 . 1.78 0.28 2.8720e-01 15972 1 1 1 1 25 ARG HD2 1.679 S 3.13 0.23 2.8140e-10 15972 1 1 1 1 25 ARG HD3 2.300 S 3.13 0.22 1.6147e-04 15972 1 1 1 1 25 ARG HH11 6.896 . 6.74 0.31 6.1481e-01 15972 1 1 1 1 25 ARG HH12 7.596 . 6.75 0.32 8.1993e-03 15972 1 1 1 1 25 ARG HH21 6.731 . 6.72 0.32 9.7258e-01 15972 1 1 1 1 25 ARG HH22 7.452 . 6.72 0.33 2.6542e-02 15972 1 1 1 1 25 ARG N 121.997 . 120.61 3.9 7.2211e-01 15972 1 1 1 1 25 ARG NH1 112.331 S 74.78 11.38 9.6776e-04 15972 1 1 1 1 25 ARG NH2 112.614 A 75.84 11.44 1.3067e-03 15972 1 1 1 1 41 TRP C 174.754 . 176.1 1.89 4.7636e-01 15972 1 1 1 1 41 TRP CA 57.906 . 57.71 2.65 9.4104e-01 15972 1 1 1 1 41 TRP CB 33.296 . 30.16 2.19 1.5215e-01 15972 1 1 1 1 41 TRP CD1 127.267 . 126.16 1.76 5.2936e-01 15972 1 1 1 1 41 TRP CE3 119.877 . 120.38 1.5 7.3737e-01 15972 1 1 1 1 41 TRP CZ2 115.170 . 114.19 1.09 3.6861e-01 15972 1 1 1 1 41 TRP CZ3 121.893 . 121.57 1.76 8.5439e-01 15972 1 1 1 1 41 TRP CH2 124.580 . 123.75 1.34 5.3565e-01 15972 1 1 1 1 41 TRP H 9.241 . 8.35 0.84 2.8882e-01 15972 1 1 1 1 41 TRP HA 4.528 . 4.74 0.55 6.9990e-01 15972 1 1 1 1 41 TRP HB2 3.130 . 3.22 0.36 8.0259e-01 15972 1 1 1 1 41 TRP HB3 2.864 . 3.18 0.36 3.8006e-01 15972 1 1 1 1 41 TRP HD1 6.989 . 7.16 0.34 6.1501e-01 15972 1 1 1 1 41 TRP HE1 10.040 . 10.13 0.53 8.6516e-01 15972 1 1 1 1 41 TRP HE3 7.336 . 7.17 1.03 8.7196e-01 15972 1 1 1 1 41 TRP HZ2 7.477 . 7.14 0.89 7.0495e-01 15972 1 1 1 1 41 TRP HZ3 7.176 . 6.68 1.02 6.2677e-01 15972 1 1 1 1 41 TRP HH2 7.242 . 6.82 0.94 6.5348e-01 15972 1 1 1 1 41 TRP N 134.769 A 121.87 4.58 4.8569e-03 15972 1 1 1 1 41 TRP NE1 130.038 . 129.48 2.56 8.2745e-01 15972 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 25 ARG ARG 0.6 15972 1 1 1 1 25 ARG LYS 0.26 15972 1 1 1 1 25 ARG GLY 0.12 15972 1 1 1 1 41 TRP TRP 0.95 15972 1 1 1 1 41 TRP HIS 0.04 15972 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15972 _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 15972 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15972 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15972 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15972 _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_