data_AVS_bmrb_pdb_report_19355 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19355 _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 3 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19355 1 1 1 1 4 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19355 1 1 1 1 13 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19355 1 1 1 1 14 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19355 1 1 1 2 1 ILM UNSUPPORTED . . . . . . . 19355 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 3 ARG C 173.577 . 176.41 2.03 1.6284e-01 19355 1 1 1 1 3 ARG CA 54.496 . 56.77 2.31 3.2491e-01 19355 1 1 1 1 3 ARG CB 28.515 . 30.7 1.83 2.3248e-01 19355 1 1 1 1 3 ARG CD 43.895 . 43.16 0.88 4.0359e-01 19355 1 1 1 1 3 ARG H 7.860 . 8.24 0.61 5.3332e-01 19355 1 1 1 1 3 ARG HA 4.476 . 4.3 0.46 7.0201e-01 19355 1 1 1 1 3 ARG HB2 1.187 . 1.79 0.27 2.5527e-02 19355 1 1 1 1 3 ARG HB3 1.519 . 1.76 0.28 3.8940e-01 19355 1 1 1 1 3 ARG HG2 1.168 . 1.57 0.27 1.3652e-01 19355 1 1 1 1 3 ARG HG3 1.214 . 1.54 0.29 2.6095e-01 19355 1 1 1 1 3 ARG HD2 2.876 . 3.12 0.24 3.0931e-01 19355 1 1 1 1 3 ARG HD3 3.169 . 3.1 0.26 7.9071e-01 19355 1 1 1 1 3 ARG HH11 7.763 . 6.91 0.46 6.3690e-02 19355 1 1 1 1 3 ARG HH12 7.658 . 6.8 0.33 9.3224e-03 19355 1 1 1 1 3 ARG N 116.545 . 120.8 3.68 2.4758e-01 19355 1 1 1 1 3 ARG NH1 110.108 A 73.82 4.62 4.0122e-15 19355 1 1 1 1 4 ARG CA 57.965 . 56.77 2.31 6.0494e-01 19355 1 1 1 1 4 ARG CB 34.422 . 30.7 1.83 4.1964e-02 19355 1 1 1 1 4 ARG CG 28.089 . 27.21 1.2 4.6386e-01 19355 1 1 1 1 4 ARG CD 43.308 . 43.16 0.88 8.6644e-01 19355 1 1 1 1 4 ARG H 7.140 . 8.24 0.61 7.1345e-02 19355 1 1 1 1 4 ARG HA 4.395 . 4.3 0.46 8.3638e-01 19355 1 1 1 1 4 ARG HB2 1.537 . 1.79 0.27 3.4874e-01 19355 1 1 1 1 4 ARG HB3 1.663 . 1.76 0.28 7.2902e-01 19355 1 1 1 1 4 ARG HG2 1.338 . 1.57 0.27 3.9020e-01 19355 1 1 1 1 4 ARG HG3 1.443 . 1.54 0.29 7.3802e-01 19355 1 1 1 1 4 ARG HD3 3.022 . 3.1 0.26 7.6418e-01 19355 1 1 1 1 4 ARG HH11 7.685 . 6.91 0.46 9.2031e-02 19355 1 1 1 1 4 ARG HH12 7.578 . 6.8 0.33 1.8395e-02 19355 1 1 1 1 4 ARG N 114.271 . 120.8 3.68 7.6033e-02 19355 1 1 1 1 4 ARG NH1 108.792 A 73.82 4.62 3.7410e-14 19355 1 1 1 1 13 ARG CA 54.347 . 56.77 2.31 2.9422e-01 19355 1 1 1 1 13 ARG CB 33.195 . 30.7 1.83 1.7276e-01 19355 1 1 1 1 13 ARG CG 27.813 . 27.21 1.2 6.1532e-01 19355 1 1 1 1 13 ARG CD 43.810 . 43.16 0.88 4.6013e-01 19355 1 1 1 1 13 ARG H 7.082 . 8.24 0.61 5.7649e-02 19355 1 1 1 1 13 ARG HA 5.167 . 4.3 0.46 5.9459e-02 19355 1 1 1 1 13 ARG HB2 1.061 . 1.79 0.27 6.9339e-03 19355 1 1 1 1 13 ARG HB3 1.200 . 1.76 0.28 4.5500e-02 19355 1 1 1 1 13 ARG HG2 1.130 . 1.57 0.27 1.0318e-01 19355 1 1 1 1 13 ARG HG3 1.245 . 1.54 0.29 3.0904e-01 19355 1 1 1 1 13 ARG HD2 2.679 . 3.12 0.24 6.6136e-02 19355 1 1 1 1 13 ARG HD3 2.847 . 3.1 0.26 3.3052e-01 19355 1 1 1 1 13 ARG HH11 7.419 . 6.91 0.46 2.6850e-01 19355 1 1 1 1 13 ARG HH12 7.316 . 6.8 0.33 1.1790e-01 19355 1 1 1 1 13 ARG N 119.199 . 120.8 3.68 6.6352e-01 19355 1 1 1 1 13 ARG NH1 110.315 A 73.82 4.62 2.8036e-15 19355 1 1 1 1 14 ARG C 175.104 . 176.41 2.03 5.2000e-01 19355 1 1 1 1 14 ARG CB 33.751 . 30.7 1.83 9.5472e-02 19355 1 1 1 1 14 ARG CG 27.247 . 27.21 1.2 9.7540e-01 19355 1 1 1 1 14 ARG CD 44.292 . 43.16 0.88 1.9832e-01 19355 1 1 1 1 14 ARG HB2 1.535 . 1.79 0.27 3.4494e-01 19355 1 1 1 1 14 ARG HB3 1.797 . 1.76 0.28 8.9487e-01 19355 1 1 1 1 14 ARG HG3 1.511 . 1.54 0.29 9.2034e-01 19355 1 1 1 1 14 ARG HD2 2.993 . 3.12 0.24 5.9669e-01 19355 1 1 1 1 14 ARG HD3 3.085 . 3.1 0.26 9.5399e-01 19355 1 1 1 1 14 ARG HH11 7.200 . 6.91 0.46 5.2841e-01 19355 1 1 1 1 14 ARG HH12 7.104 . 6.8 0.33 3.5694e-01 19355 1 1 1 1 14 ARG NH1 109.327 A 73.82 4.62 1.5240e-14 19355 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 3 ARG ARG 0.38 19355 1 1 1 1 3 ARG LEU 0.32 19355 1 1 1 1 3 ARG GLY 0.28 19355 1 1 1 1 4 ARG ARG 0.69 19355 1 1 1 1 4 ARG GLY 0.3 19355 1 1 1 1 13 ARG ARG 0.63 19355 1 1 1 1 13 ARG GLY 0.36 19355 1 1 1 1 14 ARG GLY 0.66 19355 1 1 1 1 14 ARG ARG 0.33 19355 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19355 _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 19355 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19355 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19355 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19355 _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_