data_AVS_bmrb_pdb_report_6045 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6045 _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 18 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6045 1 1 1 1 32 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 6045 1 1 1 1 50 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6045 1 1 1 1 61 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6045 1 1 1 1 87 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6045 1 1 1 1 88 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6045 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 18 ARG C 177.7 . 176.41 2.03 5.2512e-01 6045 1 1 1 1 18 ARG CA 57.6 . 56.77 2.31 7.1936e-01 6045 1 1 1 1 18 ARG CB 26.2 . 30.7 1.83 1.3932e-02 6045 1 1 1 1 18 ARG CG 28.5 . 27.21 1.2 2.8237e-01 6045 1 1 1 1 18 ARG CD 43.5 . 43.16 0.88 6.9923e-01 6045 1 1 1 1 18 ARG H 7.96 . 8.24 0.61 6.4622e-01 6045 1 1 1 1 18 ARG HA 4.08 . 4.3 0.46 6.3246e-01 6045 1 1 1 1 18 ARG HB2 2.10 . 1.79 0.27 2.5091e-01 6045 1 1 1 1 18 ARG HB3 2.15 . 1.76 0.28 1.6366e-01 6045 1 1 1 1 18 ARG HG2 1.46 . 1.57 0.27 6.8371e-01 6045 1 1 1 1 18 ARG HG3 1.64 . 1.54 0.29 7.3022e-01 6045 1 1 1 1 18 ARG HD2 3.18 . 3.12 0.24 8.0259e-01 6045 1 1 1 1 18 ARG HD3 3.18 . 3.1 0.26 7.5832e-01 6045 1 1 1 1 18 ARG HE 7.44 . 7.4 0.63 9.4937e-01 6045 1 1 1 1 18 ARG N 112.8 . 120.8 3.68 2.9712e-02 6045 1 1 1 1 18 ARG NE 113.7 A 84.63 1.68 4.4211e-67 6045 1 1 1 1 32 ARG C 179.2 . 176.41 2.03 1.6932e-01 6045 1 1 1 1 32 ARG CA 58.7 . 56.77 2.31 4.0344e-01 6045 1 1 1 1 32 ARG CB 29.8 . 30.7 1.83 6.2286e-01 6045 1 1 1 1 32 ARG CG 27.3 . 27.21 1.2 9.4021e-01 6045 1 1 1 1 32 ARG CD 43.8 . 43.16 0.88 4.6706e-01 6045 1 1 1 1 32 ARG H 7.83 . 8.24 0.61 5.0150e-01 6045 1 1 1 1 32 ARG HA 3.75 . 4.3 0.46 2.3183e-01 6045 1 1 1 1 32 ARG HB2 1.32 . 1.79 0.27 8.1729e-02 6045 1 1 1 1 32 ARG HB3 1.50 . 1.76 0.28 3.5311e-01 6045 1 1 1 1 32 ARG HG2 0.05 S 1.57 0.27 1.8060e-08 6045 1 1 1 1 32 ARG HG3 0.75 . 1.54 0.29 6.4470e-03 6045 1 1 1 1 32 ARG HD2 2.47 . 3.12 0.24 6.7622e-03 6045 1 1 1 1 32 ARG HD3 2.78 . 3.1 0.26 2.1841e-01 6045 1 1 1 1 32 ARG HE 6.37 . 7.4 0.63 1.0207e-01 6045 1 1 1 1 32 ARG N 118.8 . 120.8 3.68 5.8680e-01 6045 1 1 1 1 32 ARG NE 115.5 A 84.63 1.68 2.0831e-75 6045 1 1 1 1 50 ARG C 179.1 . 176.41 2.03 1.8513e-01 6045 1 1 1 1 50 ARG CA 54.3 . 56.77 2.31 2.8495e-01 6045 1 1 1 1 50 ARG CB 32.9 . 30.7 1.83 2.2929e-01 6045 1 1 1 1 50 ARG CG 27.4 . 27.21 1.2 8.7419e-01 6045 1 1 1 1 50 ARG CD 43.1 . 43.16 0.88 9.4564e-01 6045 1 1 1 1 50 ARG H 9.15 . 8.24 0.61 1.3575e-01 6045 1 1 1 1 50 ARG HA 4.95 . 4.3 0.46 1.5764e-01 6045 1 1 1 1 50 ARG HB2 1.74 . 1.79 0.27 8.5308e-01 6045 1 1 1 1 50 ARG HB3 1.83 . 1.76 0.28 8.0259e-01 6045 1 1 1 1 50 ARG HG2 1.48 . 1.57 0.27 7.3888e-01 6045 1 1 1 1 50 ARG HG3 1.57 . 1.54 0.29 9.1761e-01 6045 1 1 1 1 50 ARG HD2 3.21 . 3.12 0.24 7.0766e-01 6045 1 1 1 1 50 ARG HD3 3.21 . 3.1 0.26 6.7224e-01 6045 1 1 1 1 50 ARG HE 7.32 . 7.4 0.63 8.9895e-01 6045 1 1 1 1 50 ARG N 122.1 . 120.8 3.68 7.2389e-01 6045 1 1 1 1 50 ARG NE 112.0 A 84.63 1.68 1.1310e-59 6045 1 1 1 1 61 ARG C 179.6 . 176.41 2.03 1.1608e-01 6045 1 1 1 1 61 ARG CA 61.2 . 56.77 2.31 5.5143e-02 6045 1 1 1 1 61 ARG CB 30.4 . 30.7 1.83 8.6978e-01 6045 1 1 1 1 61 ARG CG 27.5 . 27.21 1.2 8.0904e-01 6045 1 1 1 1 61 ARG CD 43.2 . 43.16 0.88 9.6375e-01 6045 1 1 1 1 61 ARG H 9.04 . 8.24 0.61 1.8970e-01 6045 1 1 1 1 61 ARG HA 3.55 . 4.3 0.46 1.0301e-01 6045 1 1 1 1 61 ARG HB2 1.70 . 1.79 0.27 7.3888e-01 6045 1 1 1 1 61 ARG HB3 1.89 . 1.76 0.28 6.4244e-01 6045 1 1 1 1 61 ARG HG2 1.42 . 1.57 0.27 5.7851e-01 6045 1 1 1 1 61 ARG HG3 1.42 . 1.54 0.29 6.7903e-01 6045 1 1 1 1 61 ARG HD2 3.08 . 3.12 0.24 8.6763e-01 6045 1 1 1 1 61 ARG HD3 3.26 . 3.1 0.26 5.3830e-01 6045 1 1 1 1 61 ARG HE 7.43 . 7.4 0.63 9.6202e-01 6045 1 1 1 1 61 ARG N 120.7 . 120.8 3.68 9.7832e-01 6045 1 1 1 1 61 ARG NE 112.0 A 84.63 1.68 1.1310e-59 6045 1 1 1 1 87 ARG C 180.1 . 176.41 2.03 6.9105e-02 6045 1 1 1 1 87 ARG CA 56.6 . 56.77 2.31 9.4133e-01 6045 1 1 1 1 87 ARG CB 29.8 . 30.7 1.83 6.2286e-01 6045 1 1 1 1 87 ARG CG 27.4 . 27.21 1.2 8.7419e-01 6045 1 1 1 1 87 ARG CD 42.7 . 43.16 0.88 6.0116e-01 6045 1 1 1 1 87 ARG H 8.66 . 8.24 0.61 4.9112e-01 6045 1 1 1 1 87 ARG HA 4.54 . 4.3 0.46 6.0185e-01 6045 1 1 1 1 87 ARG HB2 1.99 . 1.79 0.27 4.5885e-01 6045 1 1 1 1 87 ARG HB3 1.85 . 1.76 0.28 7.4789e-01 6045 1 1 1 1 87 ARG HG2 1.78 . 1.57 0.27 4.3670e-01 6045 1 1 1 1 87 ARG HG3 1.78 . 1.54 0.29 4.0791e-01 6045 1 1 1 1 87 ARG HD2 3.38 . 3.12 0.24 2.7866e-01 6045 1 1 1 1 87 ARG HD3 3.63 . 3.1 0.26 4.1504e-02 6045 1 1 1 1 87 ARG HE 7.53 . 7.4 0.63 8.3652e-01 6045 1 1 1 1 87 ARG N 120.9 . 120.8 3.68 9.7832e-01 6045 1 1 1 1 87 ARG NE 113.7 A 84.63 1.68 4.4211e-67 6045 1 1 1 1 88 ARG C 180.1 . 176.41 2.03 6.9105e-02 6045 1 1 1 1 88 ARG CA 58.7 . 56.77 2.31 4.0344e-01 6045 1 1 1 1 88 ARG CB 30.1 . 30.7 1.83 7.4301e-01 6045 1 1 1 1 88 ARG CG 27.5 . 27.21 1.2 8.0904e-01 6045 1 1 1 1 88 ARG CD 44.0 . 43.16 0.88 3.3981e-01 6045 1 1 1 1 88 ARG H 7.17 . 8.24 0.61 7.9414e-02 6045 1 1 1 1 88 ARG HA 3.84 . 4.3 0.46 3.1731e-01 6045 1 1 1 1 88 ARG HB2 1.29 . 1.79 0.27 6.4047e-02 6045 1 1 1 1 88 ARG HB3 1.25 . 1.76 0.28 6.8542e-02 6045 1 1 1 1 88 ARG HG2 1.29 . 1.57 0.27 2.9972e-01 6045 1 1 1 1 88 ARG HG3 1.62 . 1.54 0.29 7.8265e-01 6045 1 1 1 1 88 ARG HD2 2.98 . 3.12 0.24 5.5967e-01 6045 1 1 1 1 88 ARG HD3 2.98 . 3.1 0.26 6.4441e-01 6045 1 1 1 1 88 ARG HE 7.02 . 7.4 0.63 5.4639e-01 6045 1 1 1 1 88 ARG N 117.4 . 120.8 3.68 3.5553e-01 6045 1 1 1 1 88 ARG NE 113.7 A 84.63 1.68 4.4211e-67 6045 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 18 ARG LEU 0.38 6045 1 1 1 1 18 ARG LYS 0.28 6045 1 1 1 1 18 ARG GLY 0.19 6045 1 1 1 1 18 ARG ARG 0.13 6045 1 1 1 1 32 ARG ARG 0.74 6045 1 1 1 1 32 ARG GLY 0.22 6045 1 1 1 1 32 ARG LYS 0.02 6045 1 1 1 1 32 ARG LEU 0.01 6045 1 1 1 1 50 ARG ARG 0.66 6045 1 1 1 1 50 ARG LYS 0.23 6045 1 1 1 1 50 ARG GLY 0.09 6045 1 1 1 1 61 ARG ARG 0.74 6045 1 1 1 1 61 ARG GLY 0.18 6045 1 1 1 1 61 ARG LYS 0.07 6045 1 1 1 1 87 ARG ARG 0.77 6045 1 1 1 1 87 ARG LYS 0.16 6045 1 1 1 1 87 ARG GLY 0.03 6045 1 1 1 1 87 ARG LEU 0.02 6045 1 1 1 1 88 ARG ARG 0.69 6045 1 1 1 1 88 ARG GLY 0.28 6045 1 1 1 1 88 ARG LYS 0.02 6045 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6045 _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 6045 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 6045 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 6045 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6045 _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_