data_AVS_bmrb_pdb_report_5704 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5704 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 5704 1 1 1 1 7 ARG Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5704 1 1 1 1 32 ARG Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5704 1 1 1 1 83 ARG Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5704 1 1 1 1 93 ARG Anomalous Consistent Consistent Consistent Anomalous Consistent . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 5704 1 1 1 1 7 ARG C 171.359 . 176.49 2.16 1.7527e-02 5704 1 1 1 1 7 ARG CA 55.727 . 56.95 2.41 6.1183e-01 5704 1 1 1 1 7 ARG CB 30.723 . 30.66 1.77 9.7161e-01 5704 1 1 1 1 7 ARG CG 26.568 . 27.31 1.65 6.5293e-01 5704 1 1 1 1 7 ARG CD 43.919 . 43.1 1.1 4.5655e-01 5704 1 1 1 1 7 ARG CZ 156.738 M 159.01 0.87 9.0148e-03 5704 1 1 1 1 7 ARG H 8.314 . 8.24 0.6 9.0184e-01 5704 1 1 1 1 7 ARG HA 4.367 . 4.27 0.44 8.2552e-01 5704 1 1 1 1 7 ARG HB2 1.854 . 1.79 0.28 8.1920e-01 5704 1 1 1 1 7 ARG HB3 1.699 . 1.78 0.28 7.7236e-01 5704 1 1 1 1 7 ARG HG2 1.397 . 1.58 0.27 4.9791e-01 5704 1 1 1 1 7 ARG HD2 3.091 . 3.13 0.23 8.6535e-01 5704 1 1 1 1 7 ARG HE 7.511 . 7.32 0.52 7.1339e-01 5704 1 1 1 1 7 ARG N 119.956 . 120.61 3.9 8.6683e-01 5704 1 1 1 1 7 ARG NE 83.941 . 89.8 12.83 6.4791e-01 5704 1 1 1 1 32 ARG C 172.639 . 176.49 2.16 7.4608e-02 5704 1 1 1 1 32 ARG CA 56.633 . 56.95 2.41 8.9535e-01 5704 1 1 1 1 32 ARG CB 33.153 . 30.66 1.77 1.5899e-01 5704 1 1 1 1 32 ARG CG 27.822 . 27.31 1.65 7.5633e-01 5704 1 1 1 1 32 ARG CD 42.609 . 43.1 1.1 6.5533e-01 5704 1 1 1 1 32 ARG CZ 156.489 M 159.01 0.87 3.7591e-03 5704 1 1 1 1 32 ARG H 7.463 . 8.24 0.6 1.9532e-01 5704 1 1 1 1 32 ARG HA 4.291 . 4.27 0.44 9.6193e-01 5704 1 1 1 1 32 ARG HB2 1.954 . 1.79 0.28 5.5807e-01 5704 1 1 1 1 32 ARG HB3 1.550 . 1.78 0.28 4.1140e-01 5704 1 1 1 1 32 ARG HG2 1.433 . 1.58 0.27 5.8614e-01 5704 1 1 1 1 32 ARG HD2 2.965 . 3.13 0.23 4.7313e-01 5704 1 1 1 1 32 ARG HD3 2.711 . 3.13 0.22 5.6839e-02 5704 1 1 1 1 32 ARG HE 7.166 . 7.32 0.52 7.6711e-01 5704 1 1 1 1 32 ARG N 116.763 . 120.61 3.9 3.2393e-01 5704 1 1 1 1 32 ARG NE 83.829 . 89.8 12.83 6.4165e-01 5704 1 1 1 1 83 ARG C 177.293 . 176.49 2.16 7.1007e-01 5704 1 1 1 1 83 ARG CA 59.728 . 56.95 2.41 2.4903e-01 5704 1 1 1 1 83 ARG CB 30.271 . 30.66 1.77 8.2605e-01 5704 1 1 1 1 83 ARG CG 28.211 . 27.31 1.65 5.8502e-01 5704 1 1 1 1 83 ARG CD 43.514 . 43.1 1.1 7.0665e-01 5704 1 1 1 1 83 ARG CZ 157.091 M 159.01 0.87 2.7402e-02 5704 1 1 1 1 83 ARG H 8.089 . 8.24 0.6 8.0130e-01 5704 1 1 1 1 83 ARG HA 4.287 . 4.27 0.44 9.6918e-01 5704 1 1 1 1 83 ARG HB2 2.022 . 1.79 0.28 4.0735e-01 5704 1 1 1 1 83 ARG HB3 2.006 . 1.78 0.28 4.1958e-01 5704 1 1 1 1 83 ARG HG2 1.890 . 1.58 0.27 2.5091e-01 5704 1 1 1 1 83 ARG HG3 1.727 . 1.58 0.27 5.8614e-01 5704 1 1 1 1 83 ARG HD2 3.327 . 3.13 0.23 3.9171e-01 5704 1 1 1 1 83 ARG HD3 3.258 . 3.13 0.22 5.6069e-01 5704 1 1 1 1 83 ARG HE 7.445 . 7.32 0.52 8.1003e-01 5704 1 1 1 1 83 ARG N 118.151 . 120.61 3.9 5.2836e-01 5704 1 1 1 1 83 ARG NE 83.988 . 89.8 12.83 6.5055e-01 5704 1 1 1 1 93 ARG C 173.047 . 176.49 2.16 1.1094e-01 5704 1 1 1 1 93 ARG CA 56.660 . 56.95 2.41 9.0422e-01 5704 1 1 1 1 93 ARG CB 31.902 . 30.66 1.77 4.8287e-01 5704 1 1 1 1 93 ARG CG 28.608 . 27.31 1.65 4.3148e-01 5704 1 1 1 1 93 ARG CD 43.469 . 43.1 1.1 7.3728e-01 5704 1 1 1 1 93 ARG CZ 156.841 M 159.01 0.87 1.2663e-02 5704 1 1 1 1 93 ARG H 7.217 . 8.24 0.6 8.8194e-02 5704 1 1 1 1 93 ARG HA 4.657 . 4.27 0.44 3.7911e-01 5704 1 1 1 1 93 ARG HB2 1.964 . 1.79 0.28 5.3432e-01 5704 1 1 1 1 93 ARG HB3 1.836 . 1.78 0.28 8.4148e-01 5704 1 1 1 1 93 ARG HG2 1.880 . 1.58 0.27 2.6652e-01 5704 1 1 1 1 93 ARG HG3 1.593 . 1.58 0.27 9.6160e-01 5704 1 1 1 1 93 ARG HD2 3.240 . 3.13 0.23 6.3246e-01 5704 1 1 1 1 93 ARG HE 7.398 . 7.32 0.52 8.8076e-01 5704 1 1 1 1 93 ARG N 118.530 . 120.61 3.9 5.9380e-01 5704 1 1 1 1 93 ARG NE 84.452 . 89.8 12.83 6.7680e-01 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 5704 1 1 1 1 7 ARG GLY 0.65 5704 1 1 1 1 7 ARG ARG 0.34 5704 1 1 1 1 32 ARG ARG 0.51 5704 1 1 1 1 32 ARG GLY 0.48 5704 1 1 1 1 83 ARG ARG 0.54 5704 1 1 1 1 83 ARG GLY 0.45 5704 1 1 1 1 93 ARG GLY 0.5 5704 1 1 1 1 93 ARG ARG 0.49 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5704 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 5704 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 5704 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5704 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5704 _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_