data_AVS_bmrb_pdb_report_6005 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6005 _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 3 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6005 1 1 1 1 10 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 6005 1 1 1 1 34 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6005 1 1 1 1 38 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 6005 1 1 1 1 41 LYS Anomalous Consistent Suspicious Anomalous Consistent Indeterminable "H > HA" 1.0000 6005 1 1 1 1 41 LYS . . . . . . "H > HB2" 1.0000 6005 1 1 1 1 41 LYS . . . . . . "H > HB3" 1.0000 6005 1 1 1 1 41 LYS . . . . . . "H > HG2" 1.0000 6005 1 1 1 1 41 LYS . . . . . . "H > HG3" 1.0000 6005 1 1 1 1 41 LYS . . . . . . "H > HD2" 0.9997 6005 1 1 1 1 41 LYS . . . . . . "H > HD3" 1.0000 6005 1 1 1 1 41 LYS . . . . . . "H > HE2" 1.0000 6005 1 1 1 1 41 LYS . . . . . . "H > HE3" 1.0000 6005 1 1 1 1 48 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 6005 1 1 1 1 61 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6005 1 1 1 2 1 U UNSUPPORTED . . . . . . . 6005 1 1 1 2 2 U UNSUPPORTED . . . . . . . 6005 1 1 1 2 3 ALA UNSUPPORTED . . . . . . . 6005 1 1 1 2 4 U UNSUPPORTED . . . . . . . 6005 1 1 1 2 5 U UNSUPPORTED . . . . . . . 6005 1 1 1 2 6 U UNSUPPORTED . . . . . . . 6005 1 1 1 2 7 ALA UNSUPPORTED . . . . . . . 6005 1 1 1 2 8 U UNSUPPORTED . . . . . . . 6005 1 1 1 2 9 U UNSUPPORTED . . . . . . . 6005 1 1 1 3 1 ZN UNSUPPORTED . . . . . . . 6005 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 3 ARG C 175.917 . 176.41 2.03 8.0812e-01 6005 1 1 1 1 3 ARG CA 55.266 . 56.77 2.31 5.1499e-01 6005 1 1 1 1 3 ARG CB 29.490 . 30.7 1.83 5.0848e-01 6005 1 1 1 1 3 ARG CG 27.565 . 27.21 1.2 7.6736e-01 6005 1 1 1 1 3 ARG CD 42.808 . 43.16 0.88 6.8916e-01 6005 1 1 1 1 3 ARG H 8.368 . 8.24 0.61 8.3380e-01 6005 1 1 1 1 3 ARG HA 4.100 . 4.3 0.46 6.6372e-01 6005 1 1 1 1 3 ARG HB2 1.250 . 1.79 0.27 4.5500e-02 6005 1 1 1 1 3 ARG HB3 1.482 . 1.76 0.28 3.2078e-01 6005 1 1 1 1 3 ARG HG2 1.474 . 1.57 0.27 7.2217e-01 6005 1 1 1 1 3 ARG HG3 1.606 . 1.54 0.29 8.1997e-01 6005 1 1 1 1 3 ARG HD2 3.128 . 3.12 0.24 9.7341e-01 6005 1 1 1 1 3 ARG HD3 3.223 . 3.1 0.26 6.3616e-01 6005 1 1 1 1 3 ARG HE 7.075 . 7.4 0.63 6.0594e-01 6005 1 1 1 1 3 ARG N 120.796 . 120.8 3.68 9.9913e-01 6005 1 1 1 1 3 ARG NE 115.589 A 84.63 1.68 7.8360e-76 6005 1 1 1 1 10 ARG CA 60.739 . 56.77 2.31 8.5764e-02 6005 1 1 1 1 10 ARG CB 27.938 . 30.7 1.83 1.3122e-01 6005 1 1 1 1 10 ARG CG 27.118 . 27.21 1.2 9.3889e-01 6005 1 1 1 1 10 ARG CD 42.982 . 43.16 0.88 8.3970e-01 6005 1 1 1 1 10 ARG H 10.880 S 8.24 0.61 1.5056e-05 6005 1 1 1 1 10 ARG HA 4.380 . 4.3 0.46 8.6193e-01 6005 1 1 1 1 10 ARG HB2 1.561 . 1.79 0.27 3.9636e-01 6005 1 1 1 1 10 ARG HB3 1.775 . 1.76 0.28 9.5728e-01 6005 1 1 1 1 10 ARG HG2 1.739 . 1.57 0.27 5.3136e-01 6005 1 1 1 1 10 ARG HG3 1.785 . 1.54 0.29 3.9821e-01 6005 1 1 1 1 10 ARG HD2 2.988 . 3.12 0.24 5.8232e-01 6005 1 1 1 1 10 ARG HD3 3.117 . 3.1 0.26 9.4787e-01 6005 1 1 1 1 10 ARG HE 7.150 . 7.4 0.63 6.9150e-01 6005 1 1 1 1 10 ARG N 106.073 S 120.8 3.68 6.2835e-05 6005 1 1 1 1 10 ARG NE 114.400 A 84.63 1.68 2.9267e-70 6005 1 1 1 1 34 ARG C 175.850 . 176.41 2.03 7.8265e-01 6005 1 1 1 1 34 ARG CA 54.474 . 56.77 2.31 3.2025e-01 6005 1 1 1 1 34 ARG CB 31.317 . 30.7 1.83 7.3600e-01 6005 1 1 1 1 34 ARG CD 43.326 . 43.16 0.88 8.5038e-01 6005 1 1 1 1 34 ARG H 8.683 . 8.24 0.61 4.6770e-01 6005 1 1 1 1 34 ARG HA 4.397 . 4.3 0.46 8.3299e-01 6005 1 1 1 1 34 ARG HB2 1.441 . 1.79 0.27 1.9615e-01 6005 1 1 1 1 34 ARG HB3 1.790 . 1.76 0.28 9.1468e-01 6005 1 1 1 1 34 ARG HG2 1.546 . 1.57 0.27 9.2917e-01 6005 1 1 1 1 34 ARG HG3 1.782 . 1.54 0.29 4.0401e-01 6005 1 1 1 1 34 ARG HD2 3.160 . 3.12 0.24 8.6763e-01 6005 1 1 1 1 34 ARG HD3 3.160 . 3.1 0.26 8.1749e-01 6005 1 1 1 1 34 ARG HE 7.390 . 7.4 0.63 9.8734e-01 6005 1 1 1 1 34 ARG N 127.726 . 120.8 3.68 5.9827e-02 6005 1 1 1 1 34 ARG NE 116.668 A 84.63 1.68 4.4627e-81 6005 1 1 1 1 38 ARG C 174.723 . 176.41 2.03 4.0595e-01 6005 1 1 1 1 38 ARG CA 53.374 . 56.77 2.31 1.4153e-01 6005 1 1 1 1 38 ARG CB 31.935 . 30.7 1.83 4.9976e-01 6005 1 1 1 1 38 ARG CG 26.164 . 27.21 1.2 3.8339e-01 6005 1 1 1 1 38 ARG CD 42.460 . 43.16 0.88 4.2635e-01 6005 1 1 1 1 38 ARG H 8.595 . 8.24 0.61 5.6059e-01 6005 1 1 1 1 38 ARG HA 4.156 . 4.3 0.46 7.5425e-01 6005 1 1 1 1 38 ARG HB2 1.424 . 1.79 0.27 1.7524e-01 6005 1 1 1 1 38 ARG HB3 1.288 . 1.76 0.28 9.1851e-02 6005 1 1 1 1 38 ARG HG2 1.049 . 1.57 0.27 5.3653e-02 6005 1 1 1 1 38 ARG HG3 1.188 . 1.54 0.29 2.2483e-01 6005 1 1 1 1 38 ARG HD2 1.824 S 3.12 0.24 6.6641e-08 6005 1 1 1 1 38 ARG HD3 2.147 S 3.1 0.26 2.4697e-04 6005 1 1 1 1 38 ARG HE 6.886 . 7.4 0.63 4.1457e-01 6005 1 1 1 1 38 ARG N 127.045 . 120.8 3.68 8.9695e-02 6005 1 1 1 1 38 ARG NE 115.765 A 84.63 1.68 1.1242e-76 6005 1 1 1 1 41 LYS C 176.058 . 176.64 2 7.7105e-01 6005 1 1 1 1 41 LYS CA 54.950 . 56.95 2.2 3.6330e-01 6005 1 1 1 1 41 LYS CB 31.617 . 32.79 1.78 5.0990e-01 6005 1 1 1 1 41 LYS CG 26.056 . 24.89 1.13 3.0214e-01 6005 1 1 1 1 41 LYS CD 29.006 . 28.96 1.08 9.6603e-01 6005 1 1 1 1 41 LYS CE 42.001 . 41.89 0.82 8.9232e-01 6005 1 1 1 1 41 LYS H 0.316 A 8.19 0.6 2.4205e-39 6005 1 1 1 1 41 LYS HA 4.260 . 4.27 0.44 9.8187e-01 6005 1 1 1 1 41 LYS HB2 1.539 . 1.78 0.25 3.3505e-01 6005 1 1 1 1 41 LYS HB3 1.672 . 1.74 0.27 8.0116e-01 6005 1 1 1 1 41 LYS HG2 1.301 . 1.37 0.26 7.9071e-01 6005 1 1 1 1 41 LYS HG3 1.561 . 1.35 0.28 4.5111e-01 6005 1 1 1 1 41 LYS HD2 1.730 . 1.61 0.22 5.8544e-01 6005 1 1 1 1 41 LYS HD3 1.820 . 1.6 0.22 3.1731e-01 6005 1 1 1 1 41 LYS HE2 3.019 . 2.92 0.19 6.0233e-01 6005 1 1 1 1 41 LYS HE3 3.044 . 2.91 0.2 5.0286e-01 6005 1 1 1 1 48 ARG C 177.834 . 176.41 2.03 4.8301e-01 6005 1 1 1 1 48 ARG CA 58.842 . 56.77 2.31 3.6974e-01 6005 1 1 1 1 48 ARG CB 30.178 . 30.7 1.83 7.7546e-01 6005 1 1 1 1 48 ARG CG 27.379 . 27.21 1.2 8.8800e-01 6005 1 1 1 1 48 ARG CD 43.269 . 43.16 0.88 9.0142e-01 6005 1 1 1 1 48 ARG H 11.330 S 8.24 0.61 4.0717e-07 6005 1 1 1 1 48 ARG HA 4.279 . 4.3 0.46 9.6359e-01 6005 1 1 1 1 48 ARG HB2 1.650 . 1.79 0.27 6.0410e-01 6005 1 1 1 1 48 ARG HB3 1.704 . 1.76 0.28 8.4148e-01 6005 1 1 1 1 48 ARG HG2 1.313 . 1.57 0.27 3.4117e-01 6005 1 1 1 1 48 ARG HG3 1.577 . 1.54 0.29 8.9848e-01 6005 1 1 1 1 48 ARG HD2 2.634 . 3.12 0.24 4.2867e-02 6005 1 1 1 1 48 ARG HD3 2.634 . 3.1 0.26 7.3084e-02 6005 1 1 1 1 48 ARG HE 6.784 . 7.4 0.63 3.2818e-01 6005 1 1 1 1 48 ARG N 106.718 S 120.8 3.68 1.2991e-04 6005 1 1 1 1 48 ARG NE 113.999 A 84.63 1.68 1.9805e-68 6005 1 1 1 1 61 ARG C 175.814 . 176.41 2.03 7.6907e-01 6005 1 1 1 1 61 ARG CA 56.467 . 56.77 2.31 8.9564e-01 6005 1 1 1 1 61 ARG CB 29.990 . 30.7 1.83 6.9803e-01 6005 1 1 1 1 61 ARG CG 28.120 . 27.21 1.2 4.4825e-01 6005 1 1 1 1 61 ARG CD 43.375 . 43.16 0.88 8.0698e-01 6005 1 1 1 1 61 ARG H 8.473 . 8.24 0.61 7.0249e-01 6005 1 1 1 1 61 ARG HA 4.583 . 4.3 0.46 5.3841e-01 6005 1 1 1 1 61 ARG HB2 2.383 . 1.79 0.27 2.8071e-02 6005 1 1 1 1 61 ARG HB3 2.383 . 1.76 0.28 2.6081e-02 6005 1 1 1 1 61 ARG HG2 1.908 . 1.57 0.27 2.1062e-01 6005 1 1 1 1 61 ARG HG3 1.972 . 1.54 0.29 1.3631e-01 6005 1 1 1 1 61 ARG HD2 3.481 . 3.12 0.24 1.3254e-01 6005 1 1 1 1 61 ARG HD3 3.765 . 3.1 0.26 1.0537e-02 6005 1 1 1 1 61 ARG HE 8.846 . 7.4 0.63 2.1719e-02 6005 1 1 1 1 61 ARG N 118.597 . 120.8 3.68 5.4941e-01 6005 1 1 1 1 61 ARG NE 117.181 A 84.63 1.68 1.2402e-83 6005 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 3 ARG ARG 0.51 6005 1 1 1 1 3 ARG CYS 0.33 6005 1 1 1 1 3 ARG LYS 0.08 6005 1 1 1 1 3 ARG GLY 0.03 6005 1 1 1 1 3 ARG LEU 0.03 6005 1 1 1 1 10 ARG CYS 0.56 6005 1 1 1 1 10 ARG ARG 0.25 6005 1 1 1 1 10 ARG GLY 0.07 6005 1 1 1 1 10 ARG LEU 0.05 6005 1 1 1 1 10 ARG LYS 0.04 6005 1 1 1 1 34 ARG ARG 0.48 6005 1 1 1 1 34 ARG CYS 0.32 6005 1 1 1 1 34 ARG LYS 0.1 6005 1 1 1 1 34 ARG GLY 0.08 6005 1 1 1 1 38 ARG ARG 0.36 6005 1 1 1 1 38 ARG CYS 0.3 6005 1 1 1 1 38 ARG LYS 0.29 6005 1 1 1 1 38 ARG GLY 0.02 6005 1 1 1 1 41 LYS LYS 0.42 6005 1 1 1 1 41 LYS CYS 0.31 6005 1 1 1 1 41 LYS ARG 0.25 6005 1 1 1 1 48 ARG ARG 0.44 6005 1 1 1 1 48 ARG CYS 0.44 6005 1 1 1 1 48 ARG GLY 0.05 6005 1 1 1 1 48 ARG LYS 0.04 6005 1 1 1 1 61 ARG ARG 0.45 6005 1 1 1 1 61 ARG CYS 0.38 6005 1 1 1 1 61 ARG LYS 0.08 6005 1 1 1 1 61 ARG GLY 0.06 6005 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6005 _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 6005 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 6005 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 6005 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6005 _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_