data_AVS_bmrb_pdb_report_25729 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25729 _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 32 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25729 1 1 1 1 33 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25729 1 1 1 1 42 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25729 1 1 1 1 43 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25729 1 1 1 1 48 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25729 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 32 ARG C 176.128 . 176.41 2.03 8.8952e-01 25729 1 1 1 1 32 ARG CA 56.554 . 56.77 2.31 9.2550e-01 25729 1 1 1 1 32 ARG CB 29.594 . 30.7 1.83 5.4560e-01 25729 1 1 1 1 32 ARG CG 26.926 . 27.21 1.2 8.1292e-01 25729 1 1 1 1 32 ARG CD 42.773 . 43.16 0.88 6.6010e-01 25729 1 1 1 1 32 ARG H 8.064 . 8.24 0.61 7.7295e-01 25729 1 1 1 1 32 ARG HA 4.167 . 4.3 0.46 7.7248e-01 25729 1 1 1 1 32 ARG HB2 1.878 . 1.79 0.27 7.4448e-01 25729 1 1 1 1 32 ARG HB3 1.768 . 1.76 0.28 9.7721e-01 25729 1 1 1 1 32 ARG HG2 1.653 . 1.57 0.27 7.5853e-01 25729 1 1 1 1 32 ARG HG3 1.653 . 1.54 0.29 6.9679e-01 25729 1 1 1 1 32 ARG HD2 3.184 . 3.12 0.24 7.8973e-01 25729 1 1 1 1 32 ARG HD3 3.113 . 3.1 0.26 9.6012e-01 25729 1 1 1 1 32 ARG HE 7.610 . 7.4 0.63 7.3888e-01 25729 1 1 1 1 32 ARG N 118.576 . 120.8 3.68 5.4561e-01 25729 1 1 1 1 32 ARG NE 105.530 A 84.63 1.68 1.5756e-35 25729 1 1 1 1 33 ARG C 175.029 . 176.41 2.03 4.9632e-01 25729 1 1 1 1 33 ARG CA 55.413 . 56.77 2.31 5.5690e-01 25729 1 1 1 1 33 ARG CB 29.588 . 30.7 1.83 5.4342e-01 25729 1 1 1 1 33 ARG CG 26.546 . 27.21 1.2 5.8004e-01 25729 1 1 1 1 33 ARG CD 42.287 . 43.16 0.88 3.2118e-01 25729 1 1 1 1 33 ARG H 7.783 . 8.24 0.61 4.5375e-01 25729 1 1 1 1 33 ARG HA 4.123 . 4.3 0.46 7.0040e-01 25729 1 1 1 1 33 ARG HB2 1.713 . 1.79 0.27 7.7550e-01 25729 1 1 1 1 33 ARG HB3 1.535 . 1.76 0.28 4.2164e-01 25729 1 1 1 1 33 ARG HG2 1.351 . 1.57 0.27 4.1730e-01 25729 1 1 1 1 33 ARG HG3 1.351 . 1.54 0.29 5.1458e-01 25729 1 1 1 1 33 ARG HD2 2.951 . 3.12 0.24 4.8133e-01 25729 1 1 1 1 33 ARG HD3 2.996 . 3.1 0.26 6.8916e-01 25729 1 1 1 1 33 ARG HE 7.433 . 7.4 0.63 9.5823e-01 25729 1 1 1 1 33 ARG N 116.986 . 120.8 3.68 3.0001e-01 25729 1 1 1 1 33 ARG NE 105.921 A 84.63 1.68 8.3233e-37 25729 1 1 1 1 42 ARG C 177.295 . 176.41 2.03 6.6287e-01 25729 1 1 1 1 42 ARG CA 58.897 . 56.77 2.31 3.5717e-01 25729 1 1 1 1 42 ARG CB 29.419 . 30.7 1.83 4.8393e-01 25729 1 1 1 1 42 ARG CG 26.792 . 27.21 1.2 7.2759e-01 25729 1 1 1 1 42 ARG CD 42.914 . 43.16 0.88 7.7983e-01 25729 1 1 1 1 42 ARG H 8.260 . 8.24 0.61 9.7384e-01 25729 1 1 1 1 42 ARG HA 3.898 . 4.3 0.46 3.8217e-01 25729 1 1 1 1 42 ARG HB2 1.858 . 1.79 0.27 8.0116e-01 25729 1 1 1 1 42 ARG HB3 1.858 . 1.76 0.28 7.2634e-01 25729 1 1 1 1 42 ARG HG2 1.656 . 1.57 0.27 7.5009e-01 25729 1 1 1 1 42 ARG HG3 1.656 . 1.54 0.29 6.8916e-01 25729 1 1 1 1 42 ARG HD2 3.186 . 3.12 0.24 7.8332e-01 25729 1 1 1 1 42 ARG HD3 3.186 . 3.1 0.26 7.4082e-01 25729 1 1 1 1 42 ARG HE 7.519 . 7.4 0.63 8.5018e-01 25729 1 1 1 1 42 ARG N 117.320 . 120.8 3.68 3.4433e-01 25729 1 1 1 1 42 ARG NE 105.574 A 84.63 1.68 1.1347e-35 25729 1 1 1 1 43 ARG C 177.559 . 176.41 2.03 5.7139e-01 25729 1 1 1 1 43 ARG CA 57.896 . 56.77 2.31 6.2594e-01 25729 1 1 1 1 43 ARG CB 29.390 . 30.7 1.83 4.7409e-01 25729 1 1 1 1 43 ARG CG 26.967 . 27.21 1.2 8.3953e-01 25729 1 1 1 1 43 ARG CD 42.933 . 43.16 0.88 7.9644e-01 25729 1 1 1 1 43 ARG H 7.767 . 8.24 0.61 4.3810e-01 25729 1 1 1 1 43 ARG HA 4.160 . 4.3 0.46 7.6086e-01 25729 1 1 1 1 43 ARG HB2 1.880 . 1.79 0.27 7.3888e-01 25729 1 1 1 1 43 ARG HB3 1.948 . 1.76 0.28 5.0195e-01 25729 1 1 1 1 43 ARG HG2 1.669 . 1.57 0.27 7.1387e-01 25729 1 1 1 1 43 ARG HG3 1.669 . 1.54 0.29 6.5644e-01 25729 1 1 1 1 43 ARG HD2 3.184 . 3.12 0.24 7.8973e-01 25729 1 1 1 1 43 ARG HD3 3.184 . 3.1 0.26 7.4664e-01 25729 1 1 1 1 43 ARG HE 7.732 . 7.4 0.63 5.9820e-01 25729 1 1 1 1 43 ARG N 118.403 . 120.8 3.68 5.1482e-01 25729 1 1 1 1 43 ARG NE 105.344 A 84.63 1.68 6.2632e-35 25729 1 1 1 1 48 ARG C 175.018 . 176.41 2.03 4.9289e-01 25729 1 1 1 1 48 ARG CA 56.158 . 56.77 2.31 7.9106e-01 25729 1 1 1 1 48 ARG CB 29.596 . 30.7 1.83 5.4632e-01 25729 1 1 1 1 48 ARG CG 26.919 . 27.21 1.2 8.0839e-01 25729 1 1 1 1 48 ARG CD 42.757 . 43.16 0.88 6.4698e-01 25729 1 1 1 1 48 ARG H 7.854 . 8.24 0.61 5.2687e-01 25729 1 1 1 1 48 ARG HA 4.230 . 4.3 0.46 8.7905e-01 25729 1 1 1 1 48 ARG HB2 1.937 . 1.79 0.27 5.8614e-01 25729 1 1 1 1 48 ARG HB3 1.800 . 1.76 0.28 8.8640e-01 25729 1 1 1 1 48 ARG HG2 1.666 . 1.57 0.27 7.2217e-01 25729 1 1 1 1 48 ARG HG3 1.666 . 1.54 0.29 6.6394e-01 25729 1 1 1 1 48 ARG HD2 3.169 . 3.12 0.24 8.3822e-01 25729 1 1 1 1 48 ARG HD3 3.169 . 3.1 0.26 7.9071e-01 25729 1 1 1 1 48 ARG HE 7.489 . 7.4 0.63 8.8766e-01 25729 1 1 1 1 48 ARG N 118.389 . 120.8 3.68 5.1236e-01 25729 1 1 1 1 48 ARG NE 105.656 A 84.63 1.68 6.1438e-36 25729 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 32 ARG ARG 0.44 25729 1 1 1 1 32 ARG CYS 0.35 25729 1 1 1 1 32 ARG LYS 0.14 25729 1 1 1 1 32 ARG LEU 0.03 25729 1 1 1 1 32 ARG GLY 0.02 25729 1 1 1 1 33 ARG ARG 0.36 25729 1 1 1 1 33 ARG CYS 0.3 25729 1 1 1 1 33 ARG LYS 0.26 25729 1 1 1 1 33 ARG LEU 0.04 25729 1 1 1 1 33 ARG GLY 0.01 25729 1 1 1 1 42 ARG CYS 0.42 25729 1 1 1 1 42 ARG ARG 0.4 25729 1 1 1 1 42 ARG LYS 0.12 25729 1 1 1 1 42 ARG GLY 0.03 25729 1 1 1 1 42 ARG LEU 0.02 25729 1 1 1 1 43 ARG ARG 0.42 25729 1 1 1 1 43 ARG CYS 0.39 25729 1 1 1 1 43 ARG LYS 0.11 25729 1 1 1 1 43 ARG GLY 0.03 25729 1 1 1 1 43 ARG LEU 0.02 25729 1 1 1 1 48 ARG ARG 0.45 25729 1 1 1 1 48 ARG CYS 0.34 25729 1 1 1 1 48 ARG LYS 0.14 25729 1 1 1 1 48 ARG LEU 0.03 25729 1 1 1 1 48 ARG GLY 0.02 25729 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25729 _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 25729 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25729 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25729 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25729 _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_