data_AVS_bmrb_pdb_report_25611 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25611 _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 22 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25611 1 1 1 1 27 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25611 1 1 1 1 40 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25611 1 1 1 1 41 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25611 1 1 1 1 46 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25611 1 1 1 1 55 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25611 1 1 1 1 61 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25611 1 1 1 1 62 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25611 1 1 1 1 70 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25611 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 22 ARG C 179.556 . 176.41 2.03 1.2120e-01 25611 1 1 1 1 22 ARG CA 57.709 . 56.77 2.31 6.8438e-01 25611 1 1 1 1 22 ARG CB 29.283 . 30.7 1.83 4.3874e-01 25611 1 1 1 1 22 ARG CG 26.509 . 27.21 1.2 5.5911e-01 25611 1 1 1 1 22 ARG CD 42.489 . 43.16 0.88 4.4576e-01 25611 1 1 1 1 22 ARG H 7.579 . 8.24 0.61 2.7854e-01 25611 1 1 1 1 22 ARG HA 4.125 . 4.3 0.46 7.0362e-01 25611 1 1 1 1 22 ARG HB2 1.928 . 1.79 0.27 6.0927e-01 25611 1 1 1 1 22 ARG HB3 1.929 . 1.76 0.28 5.4613e-01 25611 1 1 1 1 22 ARG HG2 1.741 . 1.57 0.27 5.2652e-01 25611 1 1 1 1 22 ARG HG3 1.583 . 1.54 0.29 8.8213e-01 25611 1 1 1 1 22 ARG HD2 3.147 . 3.12 0.24 9.1043e-01 25611 1 1 1 1 22 ARG HD3 3.224 . 3.1 0.26 6.3342e-01 25611 1 1 1 1 22 ARG HE 7.573 . 7.4 0.63 7.8362e-01 25611 1 1 1 1 22 ARG N 117.258 . 120.8 3.68 3.3580e-01 25611 1 1 1 1 22 ARG NE -21.500 A 84.63 1.68 0.0000e+00 25611 1 1 1 1 27 ARG CA 53.261 . 56.77 2.31 1.2875e-01 25611 1 1 1 1 27 ARG CB 31.488 . 30.7 1.83 6.6676e-01 25611 1 1 1 1 27 ARG CG 26.681 . 27.21 1.2 6.5933e-01 25611 1 1 1 1 27 ARG CD 43.100 . 43.16 0.88 9.4564e-01 25611 1 1 1 1 27 ARG H 8.009 . 8.24 0.61 7.0492e-01 25611 1 1 1 1 27 ARG HA 4.525 . 4.3 0.46 6.2475e-01 25611 1 1 1 1 27 ARG HB2 1.779 . 1.79 0.27 9.6750e-01 25611 1 1 1 1 27 ARG HB3 1.779 . 1.76 0.28 9.4590e-01 25611 1 1 1 1 27 ARG HG2 1.772 . 1.57 0.27 4.5437e-01 25611 1 1 1 1 27 ARG HG3 1.668 . 1.54 0.29 6.5894e-01 25611 1 1 1 1 27 ARG HD2 3.310 . 3.12 0.24 4.2856e-01 25611 1 1 1 1 27 ARG HD3 3.219 . 3.1 0.26 6.4717e-01 25611 1 1 1 1 27 ARG HE 7.272 . 7.4 0.63 8.3900e-01 25611 1 1 1 1 27 ARG N 121.906 . 120.8 3.68 7.6376e-01 25611 1 1 1 1 27 ARG NE -21.000 A 84.63 1.68 0.0000e+00 25611 1 1 1 1 40 ARG C 175.071 . 176.41 2.03 5.0951e-01 25611 1 1 1 1 40 ARG CA 55.235 . 56.77 2.31 5.0637e-01 25611 1 1 1 1 40 ARG CB 31.466 . 30.7 1.83 6.7552e-01 25611 1 1 1 1 40 ARG CG 26.630 . 27.21 1.2 6.2886e-01 25611 1 1 1 1 40 ARG CD 43.401 . 43.16 0.88 7.8419e-01 25611 1 1 1 1 40 ARG H 7.794 . 8.24 0.61 4.6469e-01 25611 1 1 1 1 40 ARG HA 4.625 . 4.3 0.46 4.7986e-01 25611 1 1 1 1 40 ARG HB2 1.920 . 1.79 0.27 6.3017e-01 25611 1 1 1 1 40 ARG HB3 1.849 . 1.76 0.28 7.5059e-01 25611 1 1 1 1 40 ARG HG2 1.580 . 1.57 0.27 9.7046e-01 25611 1 1 1 1 40 ARG HG3 1.666 . 1.54 0.29 6.6394e-01 25611 1 1 1 1 40 ARG HD2 3.100 . 3.12 0.24 9.3359e-01 25611 1 1 1 1 40 ARG HD3 3.101 . 3.1 0.26 9.9693e-01 25611 1 1 1 1 40 ARG HE 7.181 . 7.4 0.63 7.2813e-01 25611 1 1 1 1 40 ARG N 120.550 . 120.8 3.68 9.4584e-01 25611 1 1 1 1 40 ARG NE -21.404 A 84.63 1.68 0.0000e+00 25611 1 1 1 1 41 ARG C 175.071 . 176.41 2.03 5.0951e-01 25611 1 1 1 1 41 ARG CA 55.761 . 56.77 2.31 6.6226e-01 25611 1 1 1 1 41 ARG CB 30.487 . 30.7 1.83 9.0734e-01 25611 1 1 1 1 41 ARG CG 27.213 . 27.21 1.2 9.9801e-01 25611 1 1 1 1 41 ARG CD 42.895 . 43.16 0.88 7.6331e-01 25611 1 1 1 1 41 ARG H 8.670 . 8.24 0.61 4.8086e-01 25611 1 1 1 1 41 ARG HA 4.650 . 4.3 0.46 4.4674e-01 25611 1 1 1 1 41 ARG HB2 1.399 . 1.79 0.27 1.4758e-01 25611 1 1 1 1 41 ARG HB3 1.160 . 1.76 0.28 3.2125e-02 25611 1 1 1 1 41 ARG HG2 1.395 . 1.57 0.27 5.1689e-01 25611 1 1 1 1 41 ARG HG3 1.357 . 1.54 0.29 5.2802e-01 25611 1 1 1 1 41 ARG HD2 2.666 . 3.12 0.24 5.8536e-02 25611 1 1 1 1 41 ARG HD3 2.735 . 3.1 0.26 1.6036e-01 25611 1 1 1 1 41 ARG HE 7.429 . 7.4 0.63 9.6329e-01 25611 1 1 1 1 41 ARG N 124.986 . 120.8 3.68 2.5533e-01 25611 1 1 1 1 41 ARG NE -20.480 A 84.63 1.68 0.0000e+00 25611 1 1 1 1 46 ARG C 175.231 . 176.41 2.03 5.6138e-01 25611 1 1 1 1 46 ARG CA 54.470 . 56.77 2.31 3.1941e-01 25611 1 1 1 1 46 ARG CB 33.049 . 30.7 1.83 1.9928e-01 25611 1 1 1 1 46 ARG CG 27.592 . 27.21 1.2 7.5023e-01 25611 1 1 1 1 46 ARG CD 43.100 . 43.16 0.88 9.4564e-01 25611 1 1 1 1 46 ARG H 8.834 . 8.24 0.61 3.3017e-01 25611 1 1 1 1 46 ARG HA 5.504 . 4.3 0.46 8.8605e-03 25611 1 1 1 1 46 ARG HB2 1.790 . 1.79 0.27 1.0000e+00 25611 1 1 1 1 46 ARG HB3 1.662 . 1.76 0.28 7.2634e-01 25611 1 1 1 1 46 ARG HG2 1.576 . 1.57 0.27 9.8227e-01 25611 1 1 1 1 46 ARG HG3 1.537 . 1.54 0.29 9.9175e-01 25611 1 1 1 1 46 ARG HD2 3.121 . 3.12 0.24 9.9668e-01 25611 1 1 1 1 46 ARG HD3 3.121 . 3.1 0.26 9.3563e-01 25611 1 1 1 1 46 ARG HE 7.203 . 7.4 0.63 7.5451e-01 25611 1 1 1 1 46 ARG N 125.510 . 120.8 3.68 2.0058e-01 25611 1 1 1 1 46 ARG NE -21.473 A 84.63 1.68 0.0000e+00 25611 1 1 1 1 55 ARG C 179.263 . 176.41 2.03 1.5990e-01 25611 1 1 1 1 55 ARG CA 59.357 . 56.77 2.31 2.6275e-01 25611 1 1 1 1 55 ARG CB 29.778 . 30.7 1.83 6.1438e-01 25611 1 1 1 1 55 ARG CG 27.310 . 27.21 1.2 9.3359e-01 25611 1 1 1 1 55 ARG CD 43.100 . 43.16 0.88 9.4564e-01 25611 1 1 1 1 55 ARG H 7.675 . 8.24 0.61 3.5433e-01 25611 1 1 1 1 55 ARG HA 4.060 . 4.3 0.46 6.0185e-01 25611 1 1 1 1 55 ARG HB2 1.880 . 1.79 0.27 7.3888e-01 25611 1 1 1 1 55 ARG HB3 1.943 . 1.76 0.28 5.1339e-01 25611 1 1 1 1 55 ARG HG2 1.756 . 1.57 0.27 4.9089e-01 25611 1 1 1 1 55 ARG HG3 1.520 . 1.54 0.29 9.4502e-01 25611 1 1 1 1 55 ARG HD2 3.219 . 3.12 0.24 6.7997e-01 25611 1 1 1 1 55 ARG HD3 3.219 . 3.1 0.26 6.4717e-01 25611 1 1 1 1 55 ARG HE 7.516 . 7.4 0.63 8.5391e-01 25611 1 1 1 1 55 ARG N 120.845 . 120.8 3.68 9.9024e-01 25611 1 1 1 1 55 ARG NE -23.150 A 84.63 1.68 0.0000e+00 25611 1 1 1 1 61 ARG C 177.821 . 176.41 2.03 4.8701e-01 25611 1 1 1 1 61 ARG CA 58.917 . 56.77 2.31 3.5266e-01 25611 1 1 1 1 61 ARG CB 29.625 . 30.7 1.83 5.5691e-01 25611 1 1 1 1 61 ARG CG 27.947 . 27.21 1.2 5.3911e-01 25611 1 1 1 1 61 ARG CD 43.100 . 43.16 0.88 9.4564e-01 25611 1 1 1 1 61 ARG H 7.976 . 8.24 0.61 6.6517e-01 25611 1 1 1 1 61 ARG HA 4.043 . 4.3 0.46 5.7637e-01 25611 1 1 1 1 61 ARG HB2 1.896 . 1.79 0.27 6.9462e-01 25611 1 1 1 1 61 ARG HB3 1.907 . 1.76 0.28 5.9958e-01 25611 1 1 1 1 61 ARG HG2 1.670 . 1.57 0.27 7.1111e-01 25611 1 1 1 1 61 ARG HG3 1.810 . 1.54 0.29 3.5184e-01 25611 1 1 1 1 61 ARG HD2 3.191 . 3.12 0.24 7.6736e-01 25611 1 1 1 1 61 ARG HD3 3.189 . 3.1 0.26 7.3212e-01 25611 1 1 1 1 61 ARG HE 7.299 . 7.4 0.63 8.7263e-01 25611 1 1 1 1 61 ARG N 117.466 . 120.8 3.68 3.6495e-01 25611 1 1 1 1 61 ARG NE -21.542 A 84.63 1.68 0.0000e+00 25611 1 1 1 1 62 ARG C 177.848 . 176.41 2.03 4.7871e-01 25611 1 1 1 1 62 ARG CA 57.864 . 56.77 2.31 6.3579e-01 25611 1 1 1 1 62 ARG CB 30.623 . 30.7 1.83 9.6644e-01 25611 1 1 1 1 62 ARG CG 27.542 . 27.21 1.2 7.8204e-01 25611 1 1 1 1 62 ARG CD 43.100 . 43.16 0.88 9.4564e-01 25611 1 1 1 1 62 ARG H 7.551 . 8.24 0.61 2.5868e-01 25611 1 1 1 1 62 ARG HA 4.139 . 4.3 0.46 7.2634e-01 25611 1 1 1 1 62 ARG HB2 1.887 . 1.79 0.27 7.1940e-01 25611 1 1 1 1 62 ARG HB3 1.888 . 1.76 0.28 6.4757e-01 25611 1 1 1 1 62 ARG HG2 1.798 . 1.57 0.27 3.9842e-01 25611 1 1 1 1 62 ARG HG3 1.636 . 1.54 0.29 7.4062e-01 25611 1 1 1 1 62 ARG HD2 3.214 . 3.12 0.24 6.9530e-01 25611 1 1 1 1 62 ARG HD3 3.217 . 3.1 0.26 6.5271e-01 25611 1 1 1 1 62 ARG HE 7.464 . 7.4 0.63 9.1908e-01 25611 1 1 1 1 62 ARG N 115.261 . 120.8 3.68 1.3228e-01 25611 1 1 1 1 62 ARG NE -21.437 A 84.63 1.68 0.0000e+00 25611 1 1 1 1 70 ARG C 174.724 . 176.41 2.03 4.0623e-01 25611 1 1 1 1 70 ARG CA 55.000 . 56.77 2.31 4.4354e-01 25611 1 1 1 1 70 ARG CB 32.900 . 30.7 1.83 2.2929e-01 25611 1 1 1 1 70 ARG CG 27.310 . 27.21 1.2 9.3359e-01 25611 1 1 1 1 70 ARG CD 43.100 . 43.16 0.88 9.4564e-01 25611 1 1 1 1 70 ARG H 9.037 . 8.24 0.61 1.9136e-01 25611 1 1 1 1 70 ARG HA 4.766 . 4.3 0.46 3.1104e-01 25611 1 1 1 1 70 ARG HB2 1.836 . 1.79 0.27 8.6472e-01 25611 1 1 1 1 70 ARG HB3 1.920 . 1.76 0.28 5.6771e-01 25611 1 1 1 1 70 ARG HG2 1.714 . 1.57 0.27 5.9380e-01 25611 1 1 1 1 70 ARG HG3 1.625 . 1.54 0.29 7.6944e-01 25611 1 1 1 1 70 ARG HD2 3.264 . 3.12 0.24 5.4851e-01 25611 1 1 1 1 70 ARG HD3 3.261 . 3.1 0.26 5.3576e-01 25611 1 1 1 1 70 ARG HE 7.262 . 7.4 0.63 8.2661e-01 25611 1 1 1 1 70 ARG N 125.842 . 120.8 3.68 1.7065e-01 25611 1 1 1 1 70 ARG NE -20.927 A 84.63 1.68 0.0000e+00 25611 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 22 ARG ARG 0.51 25611 1 1 1 1 22 ARG LYS 0.38 25611 1 1 1 1 22 ARG LEU 0.07 25611 1 1 1 1 22 ARG GLY 0.02 25611 1 1 1 1 27 ARG ARG 0.76 25611 1 1 1 1 27 ARG GLY 0.11 25611 1 1 1 1 27 ARG LYS 0.11 25611 1 1 1 1 40 ARG ARG 0.76 25611 1 1 1 1 40 ARG GLY 0.12 25611 1 1 1 1 40 ARG LYS 0.11 25611 1 1 1 1 41 ARG ARG 0.78 25611 1 1 1 1 41 ARG LYS 0.15 25611 1 1 1 1 41 ARG GLY 0.05 25611 1 1 1 1 46 ARG ARG 0.61 25611 1 1 1 1 46 ARG LYS 0.28 25611 1 1 1 1 46 ARG GLY 0.09 25611 1 1 1 1 55 ARG ARG 0.82 25611 1 1 1 1 55 ARG GLY 0.09 25611 1 1 1 1 55 ARG LYS 0.07 25611 1 1 1 1 61 ARG ARG 0.77 25611 1 1 1 1 61 ARG LYS 0.12 25611 1 1 1 1 61 ARG GLY 0.08 25611 1 1 1 1 62 ARG ARG 0.74 25611 1 1 1 1 62 ARG LYS 0.17 25611 1 1 1 1 62 ARG GLY 0.07 25611 1 1 1 1 70 ARG ARG 0.67 25611 1 1 1 1 70 ARG LYS 0.23 25611 1 1 1 1 70 ARG GLY 0.08 25611 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25611 _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 25611 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25611 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25611 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25611 _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_