data_AVS_bmrb_pdb_report_16129 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16129 _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 17 ARG Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16129 1 1 1 1 19 ARG Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16129 1 1 1 1 27 ARG Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16129 1 1 1 1 29 ARG Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16129 1 1 1 1 73 ARG Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16129 1 1 1 1 84 TRP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16129 1 1 1 1 91 ARG Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16129 1 1 1 1 96 ARG Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16129 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 17 ARG C 177.317 . 176.49 2.16 7.0182e-01 16129 1 1 1 1 17 ARG CA 60.339 . 56.95 2.41 1.5966e-01 16129 1 1 1 1 17 ARG CB 29.996 . 30.66 1.77 7.0756e-01 16129 1 1 1 1 17 ARG CG 27.386 . 27.31 1.65 9.6326e-01 16129 1 1 1 1 17 ARG CD 43.584 . 43.1 1.1 6.5994e-01 16129 1 1 1 1 17 ARG CZ 175.760 A 159.01 0.87 1.3355e-82 16129 1 1 1 1 17 ARG H 8.264 . 8.24 0.6 9.6809e-01 16129 1 1 1 1 17 ARG HA 3.772 . 4.27 0.44 2.5771e-01 16129 1 1 1 1 17 ARG HB2 1.815 . 1.79 0.28 9.2886e-01 16129 1 1 1 1 17 ARG HB3 1.940 . 1.78 0.28 5.6771e-01 16129 1 1 1 1 17 ARG HG2 1.550 . 1.58 0.27 9.1153e-01 16129 1 1 1 1 17 ARG HG3 1.708 . 1.58 0.27 6.3545e-01 16129 1 1 1 1 17 ARG HD2 3.138 . 3.13 0.23 9.7225e-01 16129 1 1 1 1 17 ARG HD3 3.258 . 3.13 0.22 5.6069e-01 16129 1 1 1 1 17 ARG HE 7.809 . 7.32 0.52 3.4702e-01 16129 1 1 1 1 17 ARG N 116.736 . 120.61 3.9 3.2055e-01 16129 1 1 1 1 17 ARG NE 108.360 . 89.8 12.83 1.4801e-01 16129 1 1 1 1 19 ARG C 179.375 . 176.49 2.16 1.8166e-01 16129 1 1 1 1 19 ARG CA 58.089 . 56.95 2.41 6.3649e-01 16129 1 1 1 1 19 ARG CB 28.686 . 30.66 1.77 2.6474e-01 16129 1 1 1 1 19 ARG CG 26.718 . 27.31 1.65 7.1975e-01 16129 1 1 1 1 19 ARG CD 41.981 . 43.1 1.1 3.0902e-01 16129 1 1 1 1 19 ARG CZ 175.466 A 159.01 0.87 8.5914e-80 16129 1 1 1 1 19 ARG H 8.009 . 8.24 0.6 7.0024e-01 16129 1 1 1 1 19 ARG HA 4.057 . 4.27 0.44 6.2832e-01 16129 1 1 1 1 19 ARG HB2 1.577 . 1.79 0.28 4.4683e-01 16129 1 1 1 1 19 ARG HB3 1.577 . 1.78 0.28 4.6845e-01 16129 1 1 1 1 19 ARG HG2 1.408 . 1.58 0.27 5.2410e-01 16129 1 1 1 1 19 ARG HG3 1.523 . 1.58 0.27 8.3280e-01 16129 1 1 1 1 19 ARG HD2 3.029 . 3.13 0.23 6.6057e-01 16129 1 1 1 1 19 ARG HD3 3.029 . 3.13 0.22 6.4617e-01 16129 1 1 1 1 19 ARG HE 7.238 . 7.32 0.52 8.7470e-01 16129 1 1 1 1 19 ARG N 118.178 . 120.61 3.9 5.3290e-01 16129 1 1 1 1 19 ARG NE 108.850 . 89.8 12.83 1.3760e-01 16129 1 1 1 1 27 ARG C 178.603 . 176.49 2.16 3.2796e-01 16129 1 1 1 1 27 ARG CA 57.813 . 56.95 2.41 7.2027e-01 16129 1 1 1 1 27 ARG CB 30.238 . 30.66 1.77 8.1156e-01 16129 1 1 1 1 27 ARG CG 27.374 . 27.31 1.65 9.6906e-01 16129 1 1 1 1 27 ARG CD 42.401 . 43.1 1.1 5.2513e-01 16129 1 1 1 1 27 ARG CZ 175.869 A 159.01 0.87 1.1799e-83 16129 1 1 1 1 27 ARG H 8.544 . 8.24 0.6 6.1239e-01 16129 1 1 1 1 27 ARG HA 4.238 . 4.27 0.44 9.4202e-01 16129 1 1 1 1 27 ARG HB2 1.842 . 1.79 0.28 8.5267e-01 16129 1 1 1 1 27 ARG HB3 2.044 . 1.78 0.28 3.4575e-01 16129 1 1 1 1 27 ARG HG2 1.658 . 1.58 0.27 7.7267e-01 16129 1 1 1 1 27 ARG HG3 1.999 . 1.58 0.27 1.2070e-01 16129 1 1 1 1 27 ARG HD2 3.175 . 3.13 0.23 8.4488e-01 16129 1 1 1 1 27 ARG HD3 3.324 . 3.13 0.22 3.7788e-01 16129 1 1 1 1 27 ARG HE 7.933 . 7.32 0.52 2.3846e-01 16129 1 1 1 1 27 ARG N 118.441 . 120.61 3.9 5.7811e-01 16129 1 1 1 1 27 ARG NE 109.594 . 89.8 12.83 1.2288e-01 16129 1 1 1 1 29 ARG C 179.230 . 176.49 2.16 2.0461e-01 16129 1 1 1 1 29 ARG CA 59.593 . 56.95 2.41 2.7278e-01 16129 1 1 1 1 29 ARG CB 30.105 . 30.66 1.77 7.5386e-01 16129 1 1 1 1 29 ARG CG 27.892 . 27.31 1.65 7.2429e-01 16129 1 1 1 1 29 ARG CD 43.539 . 43.1 1.1 6.8983e-01 16129 1 1 1 1 29 ARG CZ 175.583 A 159.01 0.87 6.6427e-81 16129 1 1 1 1 29 ARG H 8.123 . 8.24 0.6 8.4539e-01 16129 1 1 1 1 29 ARG HA 4.172 . 4.27 0.44 8.2375e-01 16129 1 1 1 1 29 ARG HB2 1.970 . 1.79 0.28 5.2032e-01 16129 1 1 1 1 29 ARG HB3 2.062 . 1.78 0.28 3.1387e-01 16129 1 1 1 1 29 ARG HG2 1.660 . 1.58 0.27 7.6700e-01 16129 1 1 1 1 29 ARG HG3 1.867 . 1.58 0.27 2.8780e-01 16129 1 1 1 1 29 ARG HD2 3.268 . 3.13 0.23 5.4851e-01 16129 1 1 1 1 29 ARG HD3 3.268 . 3.13 0.22 5.3048e-01 16129 1 1 1 1 29 ARG HE 7.472 . 7.32 0.52 7.7005e-01 16129 1 1 1 1 29 ARG N 123.677 . 120.61 3.9 4.3163e-01 16129 1 1 1 1 29 ARG NE 109.329 . 89.8 12.83 1.2797e-01 16129 1 1 1 1 73 ARG C 179.534 . 176.49 2.16 1.5876e-01 16129 1 1 1 1 73 ARG CA 59.519 . 56.95 2.41 2.8643e-01 16129 1 1 1 1 73 ARG CB 30.322 . 30.66 1.77 8.4856e-01 16129 1 1 1 1 73 ARG CG 27.502 . 27.31 1.65 9.0736e-01 16129 1 1 1 1 73 ARG CD 43.080 . 43.1 1.1 9.8549e-01 16129 1 1 1 1 73 ARG CZ 175.468 A 159.01 0.87 8.2248e-80 16129 1 1 1 1 73 ARG H 7.826 . 8.24 0.6 4.9019e-01 16129 1 1 1 1 73 ARG HA 4.128 . 4.27 0.44 7.4690e-01 16129 1 1 1 1 73 ARG HB2 2.002 . 1.79 0.28 4.4896e-01 16129 1 1 1 1 73 ARG HB3 2.098 . 1.78 0.28 2.5608e-01 16129 1 1 1 1 73 ARG HG2 1.559 . 1.58 0.27 9.3801e-01 16129 1 1 1 1 73 ARG HG3 1.783 . 1.58 0.27 4.5214e-01 16129 1 1 1 1 73 ARG HD2 3.228 . 3.13 0.23 6.7004e-01 16129 1 1 1 1 73 ARG HD3 3.381 . 3.13 0.22 2.5391e-01 16129 1 1 1 1 73 ARG HE 7.414 . 7.32 0.52 8.5655e-01 16129 1 1 1 1 73 ARG N 119.009 . 120.61 3.9 6.8143e-01 16129 1 1 1 1 73 ARG NE 107.360 . 89.8 12.83 1.7110e-01 16129 1 1 1 1 84 TRP C 179.579 . 176.1 1.89 6.5660e-02 16129 1 1 1 1 84 TRP CA 58.477 . 57.71 2.65 7.7225e-01 16129 1 1 1 1 84 TRP CB 29.547 . 30.16 2.19 7.7955e-01 16129 1 1 1 1 84 TRP CD1 124.082 . 126.16 1.76 2.3773e-01 16129 1 1 1 1 84 TRP CE2 171.111 A 137.38 2.86 4.1887e-32 16129 1 1 1 1 84 TRP CE3 120.081 . 120.38 1.5 8.4200e-01 16129 1 1 1 1 84 TRP CZ2 114.298 . 114.19 1.09 9.2107e-01 16129 1 1 1 1 84 TRP CZ3 121.446 . 121.57 1.76 9.4383e-01 16129 1 1 1 1 84 TRP CH2 124.190 . 123.75 1.34 7.4264e-01 16129 1 1 1 1 84 TRP H 8.556 . 8.35 0.84 8.0627e-01 16129 1 1 1 1 84 TRP HA 4.746 . 4.74 0.55 9.9130e-01 16129 1 1 1 1 84 TRP HB2 3.264 . 3.22 0.36 9.0272e-01 16129 1 1 1 1 84 TRP HB3 3.458 . 3.18 0.36 4.3998e-01 16129 1 1 1 1 84 TRP HD1 7.247 . 7.16 0.34 7.9804e-01 16129 1 1 1 1 84 TRP HE1 9.958 . 10.13 0.53 7.4554e-01 16129 1 1 1 1 84 TRP HE3 7.068 . 7.17 1.03 9.2112e-01 16129 1 1 1 1 84 TRP HZ2 7.369 . 7.14 0.89 7.9694e-01 16129 1 1 1 1 84 TRP HZ3 6.614 . 6.68 1.02 9.4841e-01 16129 1 1 1 1 84 TRP HH2 7.044 . 6.82 0.94 8.1165e-01 16129 1 1 1 1 84 TRP N 120.538 . 121.87 4.58 7.7118e-01 16129 1 1 1 1 84 TRP NE1 127.527 . 129.48 2.56 4.4553e-01 16129 1 1 1 1 91 ARG C 177.534 . 176.49 2.16 6.2886e-01 16129 1 1 1 1 91 ARG CA 57.895 . 56.95 2.41 6.9497e-01 16129 1 1 1 1 91 ARG CB 30.664 . 30.66 1.77 9.9820e-01 16129 1 1 1 1 91 ARG CG 27.870 . 27.31 1.65 7.3431e-01 16129 1 1 1 1 91 ARG CD 43.659 . 43.1 1.1 6.1133e-01 16129 1 1 1 1 91 ARG CZ 175.642 A 159.01 0.87 1.8145e-81 16129 1 1 1 1 91 ARG H 7.849 . 8.24 0.6 5.1462e-01 16129 1 1 1 1 91 ARG HA 4.270 . 4.27 0.44 1.0000e+00 16129 1 1 1 1 91 ARG HB2 1.966 . 1.79 0.28 5.2963e-01 16129 1 1 1 1 91 ARG HB3 1.966 . 1.78 0.28 5.0651e-01 16129 1 1 1 1 91 ARG HG2 1.635 . 1.58 0.27 8.3859e-01 16129 1 1 1 1 91 ARG HG3 1.873 . 1.58 0.27 2.7784e-01 16129 1 1 1 1 91 ARG HD2 3.271 . 3.13 0.23 5.3985e-01 16129 1 1 1 1 91 ARG HD3 3.271 . 3.13 0.22 5.2158e-01 16129 1 1 1 1 91 ARG HE 7.417 . 7.32 0.52 8.5202e-01 16129 1 1 1 1 91 ARG N 121.497 . 120.61 3.9 8.2008e-01 16129 1 1 1 1 91 ARG NE 109.794 . 89.8 12.83 1.1914e-01 16129 1 1 1 1 96 ARG C 176.701 . 176.49 2.16 9.2218e-01 16129 1 1 1 1 96 ARG CA 56.570 . 56.95 2.41 8.7471e-01 16129 1 1 1 1 96 ARG CB 30.835 . 30.66 1.77 9.2124e-01 16129 1 1 1 1 96 ARG CG 27.000 . 27.31 1.65 8.5097e-01 16129 1 1 1 1 96 ARG CD 43.426 . 43.1 1.1 7.6695e-01 16129 1 1 1 1 96 ARG CZ 175.595 A 159.01 0.87 5.1037e-81 16129 1 1 1 1 96 ARG H 8.226 . 8.24 0.6 9.8138e-01 16129 1 1 1 1 96 ARG HA 4.362 . 4.27 0.44 8.3438e-01 16129 1 1 1 1 96 ARG HB2 1.845 . 1.79 0.28 8.4427e-01 16129 1 1 1 1 96 ARG HB3 1.954 . 1.78 0.28 5.3432e-01 16129 1 1 1 1 96 ARG HG2 1.683 . 1.58 0.27 7.0285e-01 16129 1 1 1 1 96 ARG HG3 1.712 . 1.58 0.27 6.2492e-01 16129 1 1 1 1 96 ARG HD2 3.233 . 3.13 0.23 6.5428e-01 16129 1 1 1 1 96 ARG HD3 3.233 . 3.13 0.22 6.3965e-01 16129 1 1 1 1 96 ARG HE 7.321 . 7.32 0.52 9.9847e-01 16129 1 1 1 1 96 ARG N 120.696 . 120.61 3.9 9.8241e-01 16129 1 1 1 1 96 ARG NE 109.622 . 89.8 12.83 1.2235e-01 16129 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 17 ARG GLY 0.97 16129 1 1 1 1 17 ARG ASP 0.02 16129 1 1 1 1 19 ARG ASP 0.74 16129 1 1 1 1 19 ARG ASN 0.12 16129 1 1 1 1 19 ARG GLY 0.12 16129 1 1 1 1 27 ARG ASP 0.7 16129 1 1 1 1 27 ARG GLY 0.19 16129 1 1 1 1 27 ARG ASN 0.09 16129 1 1 1 1 29 ARG GLY 0.94 16129 1 1 1 1 29 ARG ASP 0.05 16129 1 1 1 1 73 ARG GLY 0.86 16129 1 1 1 1 73 ARG ASP 0.12 16129 1 1 1 1 84 TRP TRP 0.99 16129 1 1 1 1 91 ARG GLY 0.82 16129 1 1 1 1 91 ARG ASP 0.16 16129 1 1 1 1 91 ARG ASN 0.01 16129 1 1 1 1 96 ARG GLY 0.58 16129 1 1 1 1 96 ARG ASP 0.36 16129 1 1 1 1 96 ARG ASN 0.05 16129 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16129 _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 16129 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16129 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16129 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16129 _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_