data_AVS_bmrb_pdb_report_19213 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19213 _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 31 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 19213 1 1 1 1 57 ALA Anomalous Consistent Consistent Anomalous Consistent Consistent . . 19213 1 1 1 1 131 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 19213 1 1 1 2 1 PVN UNSUPPORTED . . . . . . . 19213 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 31 ARG C 174.652 . 176.41 2.03 3.8649e-01 19213 1 1 1 1 31 ARG CA 55.593 . 56.77 2.31 6.1038e-01 19213 1 1 1 1 31 ARG CB 35.294 . 30.7 1.83 1.2060e-02 19213 1 1 1 1 31 ARG CG 30.144 . 27.21 1.2 1.4485e-02 19213 1 1 1 1 31 ARG CD 43.700 . 43.16 0.88 5.3946e-01 19213 1 1 1 1 31 ARG H 8.099 . 8.24 0.61 8.1720e-01 19213 1 1 1 1 31 ARG HA 5.511 . 4.3 0.46 8.4732e-03 19213 1 1 1 1 31 ARG HB2 1.836 . 1.79 0.27 8.6472e-01 19213 1 1 1 1 31 ARG HB3 1.948 . 1.76 0.28 5.0195e-01 19213 1 1 1 1 31 ARG HG2 1.360 . 1.57 0.27 4.3670e-01 19213 1 1 1 1 31 ARG HG3 1.860 . 1.54 0.29 2.6983e-01 19213 1 1 1 1 31 ARG HD3 3.700 . 3.1 0.26 2.1016e-02 19213 1 1 1 1 31 ARG HE 6.360 . 7.4 0.63 9.8781e-02 19213 1 1 1 1 31 ARG HH11 8.880 S 6.91 0.46 1.8471e-05 19213 1 1 1 1 31 ARG HH12 7.000 . 6.8 0.33 5.4447e-01 19213 1 1 1 1 31 ARG HH21 9.540 S 6.81 0.48 1.2891e-08 19213 1 1 1 1 31 ARG HH22 5.640 A 6.76 0.36 1.8638e-03 19213 1 1 1 1 31 ARG N 117.328 . 120.8 3.68 3.4544e-01 19213 1 1 1 1 31 ARG NE 83.200 . 84.63 1.68 3.9466e-01 19213 1 1 1 1 31 ARG NH1 73.200 . 73.82 4.62 8.9325e-01 19213 1 1 1 1 31 ARG NH2 74.100 . 73.26 3.32 8.0026e-01 19213 1 1 1 1 57 ALA C 176.317 . 177.74 2.13 5.0409e-01 19213 1 1 1 1 57 ALA CA 51.289 . 53.14 1.98 3.4987e-01 19213 1 1 1 1 57 ALA CB 20.581 . 19.01 1.83 3.9063e-01 19213 1 1 1 1 57 ALA H 11.964 A 8.2 0.6 3.5340e-10 19213 1 1 1 1 57 ALA HA 4.340 . 4.26 0.44 8.5573e-01 19213 1 1 1 1 57 ALA HB1 1.293 . 1.35 0.26 8.2647e-01 19213 1 1 1 1 57 ALA HB2 1.293 . 1.35 0.26 8.2647e-01 19213 1 1 1 1 57 ALA HB3 1.293 . 1.35 0.26 8.2647e-01 19213 1 1 1 1 57 ALA N 133.617 . 123.23 3.54 3.3443e-03 19213 1 1 1 1 131 ARG C 171.339 . 176.41 2.03 1.2489e-02 19213 1 1 1 1 131 ARG CA 55.522 . 56.77 2.31 5.8902e-01 19213 1 1 1 1 131 ARG CB 33.266 . 30.7 1.83 1.6086e-01 19213 1 1 1 1 131 ARG CG 25.324 . 27.21 1.2 1.1603e-01 19213 1 1 1 1 131 ARG CD 42.883 . 43.16 0.88 7.5293e-01 19213 1 1 1 1 131 ARG H 8.106 . 8.24 0.61 8.2613e-01 19213 1 1 1 1 131 ARG HA 3.949 . 4.3 0.46 4.4544e-01 19213 1 1 1 1 131 ARG HB2 0.570 S 1.79 0.27 6.2274e-06 19213 1 1 1 1 131 ARG HB3 0.873 . 1.76 0.28 1.5357e-03 19213 1 1 1 1 131 ARG HG2 -0.290 S 1.57 0.27 5.6230e-12 19213 1 1 1 1 131 ARG HG3 0.660 . 1.54 0.29 2.4095e-03 19213 1 1 1 1 131 ARG HE 7.520 . 7.4 0.63 8.4894e-01 19213 1 1 1 1 131 ARG HH11 7.060 . 6.91 0.46 7.4436e-01 19213 1 1 1 1 131 ARG HH21 6.070 . 6.81 0.48 1.2315e-01 19213 1 1 1 1 131 ARG N 121.705 . 120.8 3.68 8.0574e-01 19213 1 1 1 1 131 ARG NE 87.700 . 84.63 1.68 6.7643e-02 19213 1 1 1 1 131 ARG NH1 71.000 . 73.82 4.62 5.4160e-01 19213 1 1 1 1 131 ARG NH2 69.300 A 73.26 3.32 2.3296e-01 19213 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 31 ARG CYS 0.68 19213 1 1 1 1 31 ARG GLY 0.22 19213 1 1 1 1 31 ARG LYS 0.07 19213 1 1 1 1 31 ARG ARG 0.01 19213 1 1 1 1 57 ALA ALA 0.91 19213 1 1 1 1 57 ALA LEU 0.03 19213 1 1 1 1 57 ALA CYS 0.03 19213 1 1 1 1 57 ALA MET 0.01 19213 1 1 1 1 131 ARG LYS 0.4 19213 1 1 1 1 131 ARG CYS 0.39 19213 1 1 1 1 131 ARG ARG 0.17 19213 1 1 1 1 131 ARG GLY 0.03 19213 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19213 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 19213 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19213 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19213 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19213 _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_