data_AVS_bmrb_pdb_report_7081 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7081 _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 14 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 7081 1 1 1 1 47 LEU Anomalous Consistent Suspicious Consistent Anomalous Anomalous "C > CA" 1.0000 7081 1 1 1 1 47 LEU . . . . . . "C > CB" 1.0000 7081 1 1 1 1 47 LEU . . . . . . "C > CG" 1.0000 7081 1 1 1 1 47 LEU . . . . . . "C > CD1" 1.0000 7081 1 1 1 1 132 ARG Anomalous Consistent Suspicious Suspicious Consistent Anomalous "HA > HD2" 0.9912 7081 1 1 1 1 150 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 7081 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 14 ARG C 175.04 . 176.41 2.03 4.9975e-01 7081 1 1 1 1 14 ARG CA 55.474 . 56.77 2.31 5.7477e-01 7081 1 1 1 1 14 ARG CB 32.333 . 30.7 1.83 3.7221e-01 7081 1 1 1 1 14 ARG CG 26.395 . 27.21 1.2 4.9703e-01 7081 1 1 1 1 14 ARG CD 44.521 . 43.16 0.88 1.2196e-01 7081 1 1 1 1 14 ARG H 7.757 . 8.24 0.61 4.2848e-01 7081 1 1 1 1 14 ARG HA 4.566 . 4.3 0.46 5.6309e-01 7081 1 1 1 1 14 ARG HB2 1.952 . 1.79 0.27 5.4851e-01 7081 1 1 1 1 14 ARG HB3 1.844 . 1.76 0.28 7.6418e-01 7081 1 1 1 1 14 ARG HG2 1.763 . 1.57 0.27 4.7472e-01 7081 1 1 1 1 14 ARG HG3 1.727 . 1.54 0.29 5.1904e-01 7081 1 1 1 1 14 ARG HD2 3.313 . 3.12 0.24 4.2130e-01 7081 1 1 1 1 14 ARG HD3 3.11 . 3.1 0.26 9.6932e-01 7081 1 1 1 1 14 ARG HE 7.074 . 7.4 0.63 6.0483e-01 7081 1 1 1 1 14 ARG N 118.706 . 120.8 3.68 5.6934e-01 7081 1 1 1 1 14 ARG NE 124.292 A 84.63 1.68 0.0000e+00 7081 1 1 1 1 47 LEU C 22.958 A 176.99 1.98 0.0000e+00 7081 1 1 1 1 47 LEU CA 52.914 . 55.62 2.13 2.0393e-01 7081 1 1 1 1 47 LEU CB 45.771 . 42.31 1.88 6.5628e-02 7081 1 1 1 1 47 LEU CG 27.645 . 26.78 1.1 4.3165e-01 7081 1 1 1 1 47 LEU CD1 25.145 . 24.72 1.59 7.8924e-01 7081 1 1 1 1 47 LEU CD2 22.958 . 24.05 1.7 5.2064e-01 7081 1 1 1 1 47 LEU H 7.942 . 8.23 0.65 6.5771e-01 7081 1 1 1 1 47 LEU HA 4.983 . 4.32 0.47 1.5835e-01 7081 1 1 1 1 47 LEU HB2 1.805 . 1.61 0.34 5.6629e-01 7081 1 1 1 1 47 LEU HB3 1.114 . 1.52 0.36 2.5941e-01 7081 1 1 1 1 47 LEU HG 1.168 . 1.51 0.33 3.0003e-01 7081 1 1 1 1 47 LEU HD11 0.517 . 0.75 0.28 4.0533e-01 7081 1 1 1 1 47 LEU HD12 0.517 . 0.75 0.28 4.0533e-01 7081 1 1 1 1 47 LEU HD13 0.517 . 0.75 0.28 4.0533e-01 7081 1 1 1 1 47 LEU HD21 0.712 . 0.73 0.29 9.5051e-01 7081 1 1 1 1 47 LEU HD22 0.712 . 0.73 0.29 9.5051e-01 7081 1 1 1 1 47 LEU HD23 0.712 . 0.73 0.29 9.5051e-01 7081 1 1 1 1 47 LEU N 172.523 A 121.86 3.9 1.3850e-38 7081 1 1 1 1 132 ARG C 177.561 . 176.41 2.03 5.7072e-01 7081 1 1 1 1 132 ARG CA 60.303 . 56.77 2.31 1.2616e-01 7081 1 1 1 1 132 ARG CB 29.52 . 30.7 1.83 5.1905e-01 7081 1 1 1 1 132 ARG CG 27.958 . 27.21 1.2 5.3307e-01 7081 1 1 1 1 132 ARG CD 42.958 . 43.16 0.88 8.1844e-01 7081 1 1 1 1 132 ARG H 8.217 . 8.24 0.61 9.6992e-01 7081 1 1 1 1 132 ARG HA 2.752 S 4.3 0.46 7.6483e-04 7081 1 1 1 1 132 ARG HB2 1.683 . 1.79 0.27 6.9189e-01 7081 1 1 1 1 132 ARG HB3 1.596 . 1.76 0.28 5.5807e-01 7081 1 1 1 1 132 ARG HG2 1.748 . 1.57 0.27 5.0973e-01 7081 1 1 1 1 132 ARG HG3 1.338 . 1.54 0.29 4.8608e-01 7081 1 1 1 1 132 ARG HD2 3.566 . 3.12 0.24 6.3122e-02 7081 1 1 1 1 132 ARG HD3 3.172 . 3.1 0.26 7.8184e-01 7081 1 1 1 1 132 ARG HE 7.894 . 7.4 0.63 4.3297e-01 7081 1 1 1 1 132 ARG N 117.983 . 120.8 3.68 4.4398e-01 7081 1 1 1 1 132 ARG NE 121.063 A 84.63 1.68 0.0000e+00 7081 1 1 1 1 150 ARG C 177.439 . 176.41 2.03 6.1223e-01 7081 1 1 1 1 150 ARG CA 58.844 . 56.77 2.31 3.6927e-01 7081 1 1 1 1 150 ARG CB 29.833 . 30.7 1.83 6.3566e-01 7081 1 1 1 1 150 ARG CG 27.02 . 27.21 1.2 8.7419e-01 7081 1 1 1 1 150 ARG CD 42.958 . 43.16 0.88 8.1844e-01 7081 1 1 1 1 150 ARG H 8.268 . 8.24 0.61 9.6339e-01 7081 1 1 1 1 150 ARG HA 3.532 . 4.3 0.46 9.5005e-02 7081 1 1 1 1 150 ARG HB2 1.323 . 1.79 0.27 8.3697e-02 7081 1 1 1 1 150 ARG HB3 1.075 . 1.76 0.28 1.4428e-02 7081 1 1 1 1 150 ARG HG2 0.483 S 1.57 0.27 5.6752e-05 7081 1 1 1 1 150 ARG HG3 0.361 S 1.54 0.29 4.7926e-05 7081 1 1 1 1 150 ARG HD2 2.737 . 3.12 0.24 1.1053e-01 7081 1 1 1 1 150 ARG HD3 2.707 . 3.1 0.26 1.3065e-01 7081 1 1 1 1 150 ARG HE 7.086 . 7.4 0.63 6.1819e-01 7081 1 1 1 1 150 ARG N 117.58 . 120.8 3.68 3.8157e-01 7081 1 1 1 1 150 ARG NE 125.258 A 84.63 1.68 0.0000e+00 7081 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 14 ARG CYS 0.42 7081 1 1 1 1 14 ARG GLY 0.32 7081 1 1 1 1 14 ARG ARG 0.24 7081 1 1 1 1 47 LEU GLY 0.56 7081 1 1 1 1 47 LEU LEU 0.22 7081 1 1 1 1 47 LEU CYS 0.14 7081 1 1 1 1 47 LEU ALA 0.07 7081 1 1 1 1 132 ARG CYS 0.51 7081 1 1 1 1 132 ARG ARG 0.36 7081 1 1 1 1 132 ARG LYS 0.05 7081 1 1 1 1 132 ARG GLY 0.05 7081 1 1 1 1 150 ARG CYS 0.43 7081 1 1 1 1 150 ARG ARG 0.43 7081 1 1 1 1 150 ARG LYS 0.07 7081 1 1 1 1 150 ARG GLY 0.03 7081 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7081 _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 7081 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 7081 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 7081 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7081 _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_