data_AVS_bmrb_pdb_report_15760 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15760 _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 1 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 15760 1 1 1 1 4 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 15760 1 1 1 1 102 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 15760 1 1 1 1 116 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 15760 1 1 1 1 122 PHE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15760 1 1 1 1 126 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 15760 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 1 ARG CA 54.3900 . 56.95 2.41 2.8813e-01 15760 1 1 1 1 1 ARG CB 33.3100 . 30.66 1.77 1.3435e-01 15760 1 1 1 1 1 ARG CG 27.7300 . 27.31 1.65 7.9907e-01 15760 1 1 1 1 1 ARG CD 43.4800 . 43.1 1.1 7.2975e-01 15760 1 1 1 1 1 ARG H 7.9700 . 8.24 0.6 6.5271e-01 15760 1 1 1 1 1 ARG HA 4.6900 . 4.27 0.44 3.3981e-01 15760 1 1 1 1 1 ARG HB2 1.3500 . 1.79 0.28 1.1608e-01 15760 1 1 1 1 1 ARG HB3 2.0500 . 1.78 0.28 3.3490e-01 15760 1 1 1 1 1 ARG HG2 1.6200 . 1.58 0.27 8.8223e-01 15760 1 1 1 1 1 ARG HG3 1.7700 . 1.58 0.27 4.8162e-01 15760 1 1 1 1 1 ARG HD2 3.2600 . 3.13 0.23 5.7193e-01 15760 1 1 1 1 1 ARG HD3 3.3400 . 3.13 0.22 3.3981e-01 15760 1 1 1 1 1 ARG HE 7.0960 . 7.32 0.52 6.6664e-01 15760 1 1 1 1 1 ARG N 123.5800 . 120.61 3.9 4.4634e-01 15760 1 1 1 1 1 ARG NE 149.1080 A 89.8 12.83 3.7895e-06 15760 1 1 1 1 4 ARG CA 56.2500 . 56.95 2.41 7.7147e-01 15760 1 1 1 1 4 ARG CB 31.4300 . 30.66 1.77 6.6354e-01 15760 1 1 1 1 4 ARG CG 27.3480 . 27.31 1.65 9.8163e-01 15760 1 1 1 1 4 ARG CD 43.2440 . 43.1 1.1 8.9585e-01 15760 1 1 1 1 4 ARG H 8.7520 . 8.24 0.6 3.9347e-01 15760 1 1 1 1 4 ARG HA 4.3770 . 4.27 0.44 8.0786e-01 15760 1 1 1 1 4 ARG HB2 1.6830 . 1.79 0.28 7.0236e-01 15760 1 1 1 1 4 ARG HB3 1.7930 . 1.78 0.28 9.6297e-01 15760 1 1 1 1 4 ARG HG2 1.5410 . 1.58 0.27 8.8515e-01 15760 1 1 1 1 4 ARG HG3 1.6170 . 1.58 0.27 8.9100e-01 15760 1 1 1 1 4 ARG HD2 3.0830 . 3.13 0.23 8.3808e-01 15760 1 1 1 1 4 ARG HD3 3.1230 . 3.13 0.22 9.7462e-01 15760 1 1 1 1 4 ARG HE 7.0960 . 7.32 0.52 6.6664e-01 15760 1 1 1 1 4 ARG N 123.5700 . 120.61 3.9 4.4787e-01 15760 1 1 1 1 4 ARG NE 149.1080 A 89.8 12.83 3.7895e-06 15760 1 1 1 1 102 ARG CA 54.5000 . 56.95 2.41 3.0935e-01 15760 1 1 1 1 102 ARG CB 28.9200 . 30.66 1.77 3.2558e-01 15760 1 1 1 1 102 ARG CG 27.1200 . 27.31 1.65 9.0833e-01 15760 1 1 1 1 102 ARG CD 43.4400 . 43.1 1.1 7.5725e-01 15760 1 1 1 1 102 ARG H 8.4950 . 8.24 0.6 6.7084e-01 15760 1 1 1 1 102 ARG HA 4.6080 . 4.27 0.44 4.4238e-01 15760 1 1 1 1 102 ARG HB2 2.2670 . 1.79 0.28 8.8461e-02 15760 1 1 1 1 102 ARG HB3 2.2670 . 1.78 0.28 8.1985e-02 15760 1 1 1 1 102 ARG HG2 1.8210 . 1.58 0.27 3.7208e-01 15760 1 1 1 1 102 ARG HG3 1.8810 . 1.58 0.27 2.6493e-01 15760 1 1 1 1 102 ARG HD2 3.2700 . 3.13 0.23 5.4273e-01 15760 1 1 1 1 102 ARG HD3 3.2700 . 3.13 0.22 5.2454e-01 15760 1 1 1 1 102 ARG HE 7.0960 . 7.32 0.52 6.6664e-01 15760 1 1 1 1 102 ARG N 120.4100 . 120.61 3.9 9.5910e-01 15760 1 1 1 1 102 ARG NE 149.1080 A 89.8 12.83 3.7895e-06 15760 1 1 1 1 116 ARG CA 59.7000 . 56.95 2.41 2.5384e-01 15760 1 1 1 1 116 ARG CB 30.3900 . 30.66 1.77 8.7876e-01 15760 1 1 1 1 116 ARG CG 26.3210 . 27.31 1.65 5.4891e-01 15760 1 1 1 1 116 ARG CD 43.5600 . 43.1 1.1 6.7581e-01 15760 1 1 1 1 116 ARG H 8.1040 . 8.24 0.6 8.2068e-01 15760 1 1 1 1 116 ARG HA 4.3350 . 4.27 0.44 8.8256e-01 15760 1 1 1 1 116 ARG HB2 1.5160 . 1.79 0.28 3.2779e-01 15760 1 1 1 1 116 ARG HB3 1.5840 . 1.78 0.28 4.8393e-01 15760 1 1 1 1 116 ARG HG2 0.5940 S 1.58 0.27 2.6036e-04 15760 1 1 1 1 116 ARG HG3 1.1120 . 1.58 0.27 8.3037e-02 15760 1 1 1 1 116 ARG HD2 2.9220 . 3.13 0.23 3.6581e-01 15760 1 1 1 1 116 ARG HD3 2.9220 . 3.13 0.22 3.4443e-01 15760 1 1 1 1 116 ARG HE 7.0960 . 7.32 0.52 6.6664e-01 15760 1 1 1 1 116 ARG N 119.8900 . 120.61 3.9 8.5353e-01 15760 1 1 1 1 116 ARG NE 149.1080 A 89.8 12.83 3.7895e-06 15760 1 1 1 1 122 PHE CA 60.3200 . 58.25 2.73 4.4831e-01 15760 1 1 1 1 122 PHE CB 38.8100 . 39.95 2.04 5.7628e-01 15760 1 1 1 1 122 PHE CD1 130.8500 . 131.38 1.38 7.0094e-01 15760 1 1 1 1 122 PHE CD2 132.3700 . 131.33 1.48 4.8224e-01 15760 1 1 1 1 122 PHE CE1 129.4800 . 130.48 1.29 4.3823e-01 15760 1 1 1 1 122 PHE CE2 129.4800 . 130.6 0.97 2.4824e-01 15760 1 1 1 1 122 PHE CZ 130.9500 . 129.11 1.68 2.7341e-01 15760 1 1 1 1 122 PHE H 8.3280 . 8.42 0.74 9.0106e-01 15760 1 1 1 1 122 PHE HA 2.6620 A 4.62 0.58 7.3585e-04 15760 1 1 1 1 122 PHE HB2 2.2080 . 2.99 0.37 3.4557e-02 15760 1 1 1 1 122 PHE HB3 2.2080 . 2.97 0.38 4.4935e-02 15760 1 1 1 1 122 PHE HD1 6.2990 . 6.91 0.82 4.5620e-01 15760 1 1 1 1 122 PHE HD2 7.1860 . 6.89 0.86 7.3071e-01 15760 1 1 1 1 122 PHE HE1 7.1700 . 6.95 0.82 7.8847e-01 15760 1 1 1 1 122 PHE HE2 7.1700 . 6.94 0.86 7.8913e-01 15760 1 1 1 1 122 PHE HZ 7.2120 . 6.92 0.8 7.1511e-01 15760 1 1 1 1 122 PHE N 122.1100 . 120.69 4.18 7.3407e-01 15760 1 1 1 1 126 ARG CA 59.1600 . 56.95 2.41 3.5914e-01 15760 1 1 1 1 126 ARG CB 29.4700 . 30.66 1.77 5.0138e-01 15760 1 1 1 1 126 ARG CG 24.8320 . 27.31 1.65 1.3314e-01 15760 1 1 1 1 126 ARG CD 43.4370 . 43.1 1.1 7.5933e-01 15760 1 1 1 1 126 ARG H 7.3700 . 8.24 0.6 1.4706e-01 15760 1 1 1 1 126 ARG HA 3.7850 . 4.27 0.44 2.7034e-01 15760 1 1 1 1 126 ARG HB2 1.0420 . 1.79 0.28 7.5529e-03 15760 1 1 1 1 126 ARG HB3 1.4140 . 1.78 0.28 1.9116e-01 15760 1 1 1 1 126 ARG HG2 1.0160 . 1.58 0.27 3.6718e-02 15760 1 1 1 1 126 ARG HG3 1.2270 . 1.58 0.27 1.9107e-01 15760 1 1 1 1 126 ARG HD2 2.4680 . 3.13 0.23 3.9987e-03 15760 1 1 1 1 126 ARG HD3 2.5980 . 3.13 0.22 1.5598e-02 15760 1 1 1 1 126 ARG HE 7.0960 . 7.32 0.52 6.6664e-01 15760 1 1 1 1 126 ARG N 121.1600 . 120.61 3.9 8.8785e-01 15760 1 1 1 1 126 ARG NE 149.1080 A 89.8 12.83 3.7895e-06 15760 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 1 ARG CYS 0.4 15760 1 1 1 1 1 ARG ARG 0.28 15760 1 1 1 1 1 ARG LYS 0.18 15760 1 1 1 1 1 ARG GLY 0.11 15760 1 1 1 1 4 ARG ARG 0.4 15760 1 1 1 1 4 ARG CYS 0.35 15760 1 1 1 1 4 ARG LYS 0.17 15760 1 1 1 1 4 ARG GLY 0.05 15760 1 1 1 1 102 ARG ARG 0.39 15760 1 1 1 1 102 ARG CYS 0.28 15760 1 1 1 1 102 ARG LEU 0.13 15760 1 1 1 1 102 ARG GLY 0.1 15760 1 1 1 1 102 ARG LYS 0.08 15760 1 1 1 1 116 ARG ARG 0.42 15760 1 1 1 1 116 ARG CYS 0.38 15760 1 1 1 1 116 ARG GLY 0.11 15760 1 1 1 1 116 ARG LYS 0.06 15760 1 1 1 1 122 PHE PHE 0.58 15760 1 1 1 1 122 PHE CYS 0.41 15760 1 1 1 1 126 ARG CYS 0.37 15760 1 1 1 1 126 ARG ARG 0.25 15760 1 1 1 1 126 ARG LYS 0.2 15760 1 1 1 1 126 ARG GLY 0.09 15760 1 1 1 1 126 ARG LEU 0.06 15760 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15760 _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 15760 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15760 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15760 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15760 _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_