data_AVS_bmrb_pdb_report_19510 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19510 _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 9 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19510 1 1 1 1 28 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19510 1 1 1 1 29 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19510 1 1 1 1 31 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19510 1 1 1 2 1 ADP UNSUPPORTED . . . . . . . 19510 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 9 ARG C 176.563 . 176.41 2.03 9.3992e-01 19510 1 1 1 1 9 ARG CA 56.233 . 56.77 2.31 8.1617e-01 19510 1 1 1 1 9 ARG CB 28.977 . 30.7 1.83 3.4643e-01 19510 1 1 1 1 9 ARG CG 26.050 . 27.21 1.2 3.3371e-01 19510 1 1 1 1 9 ARG CD 42.628 . 43.16 0.88 5.4548e-01 19510 1 1 1 1 9 ARG H 8.291 . 8.24 0.61 9.3337e-01 19510 1 1 1 1 9 ARG HA 4.310 . 4.3 0.46 9.8266e-01 19510 1 1 1 1 9 ARG HB2 1.992 . 1.79 0.27 4.5437e-01 19510 1 1 1 1 9 ARG HG2 1.768 . 1.57 0.27 4.6336e-01 19510 1 1 1 1 9 ARG HG3 1.806 . 1.54 0.29 3.5902e-01 19510 1 1 1 1 9 ARG HD2 3.321 . 3.12 0.24 4.0231e-01 19510 1 1 1 1 9 ARG HD3 3.321 . 3.1 0.26 3.9533e-01 19510 1 1 1 1 9 ARG N 121.320 . 120.8 3.68 8.8763e-01 19510 1 1 1 1 9 ARG NH2 115.742 A 73.26 3.32 1.7310e-37 19510 1 1 1 1 28 ARG C 176.309 . 176.41 2.03 9.6032e-01 19510 1 1 1 1 28 ARG CA 55.369 . 56.77 2.31 5.4419e-01 19510 1 1 1 1 28 ARG CB 28.480 . 30.7 1.83 2.2509e-01 19510 1 1 1 1 28 ARG CG 26.378 . 27.21 1.2 4.8810e-01 19510 1 1 1 1 28 ARG CD 41.942 . 43.16 0.88 1.6633e-01 19510 1 1 1 1 28 ARG H 8.101 . 8.24 0.61 8.1975e-01 19510 1 1 1 1 28 ARG HA 4.441 . 4.3 0.46 7.5921e-01 19510 1 1 1 1 28 ARG HB2 2.197 . 1.79 0.27 1.3171e-01 19510 1 1 1 1 28 ARG HB3 2.197 . 1.76 0.28 1.1859e-01 19510 1 1 1 1 28 ARG HG2 2.197 . 1.57 0.27 2.0221e-02 19510 1 1 1 1 28 ARG HG3 2.197 . 1.54 0.29 2.3481e-02 19510 1 1 1 1 28 ARG HD2 3.380 . 3.12 0.24 2.7866e-01 19510 1 1 1 1 28 ARG HD3 3.380 . 3.1 0.26 2.8151e-01 19510 1 1 1 1 28 ARG N 120.375 . 120.8 3.68 9.0806e-01 19510 1 1 1 1 28 ARG NH2 114.960 A 73.26 3.32 3.4927e-36 19510 1 1 1 1 29 ARG CA 58.672 . 56.77 2.31 4.1029e-01 19510 1 1 1 1 29 ARG CB 29.051 . 30.7 1.83 3.6754e-01 19510 1 1 1 1 29 ARG CG 27.731 . 27.21 1.2 6.6417e-01 19510 1 1 1 1 29 ARG CD 41.660 . 43.16 0.88 8.8279e-02 19510 1 1 1 1 29 ARG H 8.901 . 8.24 0.61 2.7854e-01 19510 1 1 1 1 29 ARG HA 3.743 . 4.3 0.46 2.2595e-01 19510 1 1 1 1 29 ARG HB2 2.188 . 1.79 0.27 1.4046e-01 19510 1 1 1 1 29 ARG HG2 2.402 . 1.57 0.27 2.0597e-03 19510 1 1 1 1 29 ARG HG3 2.004 . 1.54 0.29 1.0960e-01 19510 1 1 1 1 29 ARG N 122.734 . 120.8 3.68 5.9921e-01 19510 1 1 1 1 29 ARG NH2 110.625 A 73.26 3.32 2.2003e-29 19510 1 1 1 1 31 ARG C 177.804 . 176.41 2.03 4.9227e-01 19510 1 1 1 1 31 ARG CA 58.132 . 56.77 2.31 5.5545e-01 19510 1 1 1 1 31 ARG CB 27.636 . 30.7 1.83 9.4068e-02 19510 1 1 1 1 31 ARG CD 41.594 . 43.16 0.88 7.5151e-02 19510 1 1 1 1 31 ARG H 8.052 . 8.24 0.61 7.5793e-01 19510 1 1 1 1 31 ARG HA 4.282 . 4.3 0.46 9.6879e-01 19510 1 1 1 1 31 ARG HB2 2.235 . 1.79 0.27 9.9322e-02 19510 1 1 1 1 31 ARG HB3 2.235 . 1.76 0.28 8.9805e-02 19510 1 1 1 1 31 ARG HG2 1.962 . 1.57 0.27 1.4654e-01 19510 1 1 1 1 31 ARG HG3 1.962 . 1.54 0.29 1.4562e-01 19510 1 1 1 1 31 ARG HD2 3.077 . 3.12 0.24 8.5781e-01 19510 1 1 1 1 31 ARG HD3 3.077 . 3.1 0.26 9.2951e-01 19510 1 1 1 1 31 ARG N 123.400 . 120.8 3.68 4.7986e-01 19510 1 1 1 1 31 ARG NH2 114.684 A 73.26 3.32 9.9536e-36 19510 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 9 ARG LYS 0.41 19510 1 1 1 1 9 ARG ARG 0.38 19510 1 1 1 1 9 ARG LEU 0.17 19510 1 1 1 1 9 ARG GLY 0.02 19510 1 1 1 1 28 ARG LYS 0.43 19510 1 1 1 1 28 ARG LEU 0.31 19510 1 1 1 1 28 ARG ARG 0.24 19510 1 1 1 1 29 ARG ARG 0.6 19510 1 1 1 1 29 ARG LYS 0.31 19510 1 1 1 1 29 ARG LEU 0.07 19510 1 1 1 1 29 ARG GLY 0.01 19510 1 1 1 1 31 ARG LYS 0.38 19510 1 1 1 1 31 ARG LEU 0.35 19510 1 1 1 1 31 ARG ILE 0.18 19510 1 1 1 1 31 ARG ARG 0.06 19510 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19510 _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 19510 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19510 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19510 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19510 _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_