data_AVS_bmrb_pdb_report_16382 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16382 _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 27 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16382 1 1 1 1 43 MET Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16382 1 1 1 1 80 ARG Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16382 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 27 ARG C 173.931 . 176.49 2.16 2.3613e-01 16382 1 1 1 1 27 ARG CA 55.487 . 56.95 2.41 5.4382e-01 16382 1 1 1 1 27 ARG CB 30.337 . 30.66 1.77 8.5520e-01 16382 1 1 1 1 27 ARG CG 27.024 . 27.31 1.65 8.6239e-01 16382 1 1 1 1 27 ARG CD 43.700 . 43.1 1.1 5.8544e-01 16382 1 1 1 1 27 ARG H 7.773 . 8.24 0.6 4.3637e-01 16382 1 1 1 1 27 ARG HA 4.418 . 4.27 0.44 7.3660e-01 16382 1 1 1 1 27 ARG HB2 2.017 . 1.79 0.28 4.1753e-01 16382 1 1 1 1 27 ARG HB3 2.016 . 1.78 0.28 3.9931e-01 16382 1 1 1 1 27 ARG HG2 1.805 . 1.58 0.27 4.0466e-01 16382 1 1 1 1 27 ARG HG3 1.805 . 1.58 0.27 4.0466e-01 16382 1 1 1 1 27 ARG HD2 3.277 . 3.13 0.23 5.2274e-01 16382 1 1 1 1 27 ARG HD3 3.174 . 3.13 0.22 8.4148e-01 16382 1 1 1 1 27 ARG HE 8.612 . 7.32 0.52 1.2969e-02 16382 1 1 1 1 27 ARG HH11 7.024 . 6.74 0.31 3.5960e-01 16382 1 1 1 1 27 ARG HH12 7.024 . 6.75 0.32 3.9186e-01 16382 1 1 1 1 27 ARG HH21 10.290 A 6.72 0.32 6.6748e-29 16382 1 1 1 1 27 ARG HH22 7.027 . 6.72 0.33 3.5221e-01 16382 1 1 1 1 27 ARG N 121.126 . 120.61 3.9 8.9474e-01 16382 1 1 1 1 27 ARG NE 82.154 . 89.8 12.83 5.5121e-01 16382 1 1 1 1 27 ARG NH1 74.713 . 74.78 11.38 9.9530e-01 16382 1 1 1 1 27 ARG NH2 74.216 . 75.84 11.44 8.8711e-01 16382 1 1 1 1 43 MET C 168.952 A 176.3 2.13 5.6107e-04 16382 1 1 1 1 43 MET CA 53.535 . 56.16 2.34 2.6195e-01 16382 1 1 1 1 43 MET CB 34.346 . 32.9 2.23 5.1671e-01 16382 1 1 1 1 43 MET CG 34.064 . 32.07 1.45 1.6908e-01 16382 1 1 1 1 43 MET CE 18.067 . 17.21 3.42 8.0214e-01 16382 1 1 1 1 43 MET H 8.109 . 8.26 0.6 8.0130e-01 16382 1 1 1 1 43 MET HA 4.386 . 4.39 0.46 9.9306e-01 16382 1 1 1 1 43 MET HB2 1.570 . 2.03 0.38 2.2608e-01 16382 1 1 1 1 43 MET HB3 1.570 . 2.01 0.36 2.2162e-01 16382 1 1 1 1 43 MET HG2 2.280 . 2.44 0.36 6.5672e-01 16382 1 1 1 1 43 MET HG3 2.048 . 2.41 0.4 3.6547e-01 16382 1 1 1 1 43 MET HE1 1.775 . 1.86 0.47 8.5648e-01 16382 1 1 1 1 43 MET HE2 1.775 . 1.86 0.47 8.5648e-01 16382 1 1 1 1 43 MET HE3 1.775 . 1.86 0.47 8.5648e-01 16382 1 1 1 1 43 MET N 125.282 . 120.1 3.88 1.8169e-01 16382 1 1 1 1 80 ARG C 181.546 A 176.49 2.16 1.9246e-02 16382 1 1 1 1 80 ARG CA 60.006 . 56.95 2.41 2.0478e-01 16382 1 1 1 1 80 ARG CB 29.510 . 30.66 1.77 5.1587e-01 16382 1 1 1 1 80 ARG CG 28.459 . 27.31 1.65 4.8620e-01 16382 1 1 1 1 80 ARG CD 43.463 . 43.1 1.1 7.4140e-01 16382 1 1 1 1 80 ARG H 8.942 . 8.24 0.6 2.4200e-01 16382 1 1 1 1 80 ARG HA 4.516 . 4.27 0.44 5.7610e-01 16382 1 1 1 1 80 ARG HB2 1.914 . 1.79 0.28 6.5787e-01 16382 1 1 1 1 80 ARG HB3 1.914 . 1.78 0.28 6.3224e-01 16382 1 1 1 1 80 ARG HG2 1.872 . 1.58 0.27 2.7948e-01 16382 1 1 1 1 80 ARG HG3 1.694 . 1.58 0.27 6.7286e-01 16382 1 1 1 1 80 ARG HD2 3.157 . 3.13 0.23 9.0655e-01 16382 1 1 1 1 80 ARG HD3 3.189 . 3.13 0.22 7.8856e-01 16382 1 1 1 1 80 ARG HE 6.844 . 7.32 0.52 3.5999e-01 16382 1 1 1 1 80 ARG N 120.974 . 120.61 3.9 9.2564e-01 16382 1 1 1 1 80 ARG NE 84.886 . 89.8 12.83 7.0171e-01 16382 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 27 ARG ARG 0.7 16382 1 1 1 1 27 ARG GLY 0.18 16382 1 1 1 1 27 ARG LYS 0.08 16382 1 1 1 1 27 ARG LEU 0.02 16382 1 1 1 1 43 MET ALA 0.65 16382 1 1 1 1 43 MET MET 0.33 16382 1 1 1 1 80 ARG ARG 0.68 16382 1 1 1 1 80 ARG GLY 0.2 16382 1 1 1 1 80 ARG LYS 0.09 16382 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16382 _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 16382 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16382 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16382 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16382 _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_