data_AVS_bmrb_pdb_report_5571 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5571 _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 2 PRO Anomalous Consistent Consistent Consistent Consistent Anomalous . . 5571 1 1 1 1 15 THR Anomalous Consistent Consistent Anomalous Consistent Consistent . . 5571 1 1 1 1 24 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 5571 1 1 1 2 1 FMN UNSUPPORTED . . . . . . . 5571 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 2 PRO C 172 . 176.75 1.51 1.6569e-03 5571 1 1 1 1 2 PRO CA 61.4 . 63.33 1.52 2.0418e-01 5571 1 1 1 1 2 PRO CB 32.6 . 31.85 1.18 5.2504e-01 5571 1 1 1 1 2 PRO CG 26.3 . 27.17 1.09 4.2477e-01 5571 1 1 1 1 2 PRO CD 49.3 . 50.32 0.99 3.0287e-01 5571 1 1 1 1 2 PRO HA 4.34 . 4.4 0.33 8.5573e-01 5571 1 1 1 1 2 PRO HB2 2.13 . 2.08 0.35 8.8640e-01 5571 1 1 1 1 2 PRO HB3 1.23 . 2 0.36 3.2445e-02 5571 1 1 1 1 2 PRO HG2 1.59 . 1.93 0.31 2.7274e-01 5571 1 1 1 1 2 PRO HG3 1.11 . 1.9 0.33 1.6669e-02 5571 1 1 1 1 2 PRO HD2 3.17 . 3.65 0.35 1.7024e-01 5571 1 1 1 1 2 PRO HD3 2.55 . 3.61 0.39 6.5688e-03 5571 1 1 1 1 2 PRO N 53.2 A 134.16 6.62 2.1598e-34 5571 1 1 1 1 15 THR C 176.4 . 174.54 1.76 2.9059e-01 5571 1 1 1 1 15 THR CA 68 . 62.22 2.59 2.5637e-02 5571 1 1 1 1 15 THR CB 66.9 . 69.73 1.63 8.2529e-02 5571 1 1 1 1 15 THR CG2 22.7 . 21.55 1.11 3.0019e-01 5571 1 1 1 1 15 THR H 11.99 A 8.24 0.62 1.4630e-09 5571 1 1 1 1 15 THR HA 3.82 . 4.46 0.48 1.8242e-01 5571 1 1 1 1 15 THR HB 4.26 . 4.17 0.33 7.8506e-01 5571 1 1 1 1 15 THR HG1 6.34 . 4.92 1.58 3.6879e-01 5571 1 1 1 1 15 THR HG21 1.12 . 1.14 0.23 9.3071e-01 5571 1 1 1 1 15 THR HG22 1.12 . 1.14 0.23 9.3071e-01 5571 1 1 1 1 15 THR HG23 1.12 . 1.14 0.23 9.3071e-01 5571 1 1 1 1 15 THR N 127.7 . 115.42 4.75 9.7305e-03 5571 1 1 1 1 24 ARG C 178.3 . 176.41 2.03 3.5184e-01 5571 1 1 1 1 24 ARG CA 58.8 . 56.77 2.31 3.7952e-01 5571 1 1 1 1 24 ARG CB 29.7 . 30.7 1.83 5.8476e-01 5571 1 1 1 1 24 ARG CG 26.9 . 27.21 1.2 7.9615e-01 5571 1 1 1 1 24 ARG CD 42.9 . 43.16 0.88 7.6765e-01 5571 1 1 1 1 24 ARG H 7.63 . 8.24 0.61 3.1731e-01 5571 1 1 1 1 24 ARG HA 3.99 . 4.3 0.46 5.0037e-01 5571 1 1 1 1 24 ARG HB2 1.99 . 1.79 0.27 4.5885e-01 5571 1 1 1 1 24 ARG HB3 1.91 . 1.76 0.28 5.9216e-01 5571 1 1 1 1 24 ARG HG2 1.7 . 1.57 0.27 6.3017e-01 5571 1 1 1 1 24 ARG HG3 1.7 . 1.54 0.29 5.8114e-01 5571 1 1 1 1 24 ARG HD2 3.22 . 3.12 0.24 6.7692e-01 5571 1 1 1 1 24 ARG HD3 3.22 . 3.1 0.26 6.4441e-01 5571 1 1 1 1 24 ARG HE 7.43 . 7.4 0.63 9.6202e-01 5571 1 1 1 1 24 ARG HH11 6.91 . 6.91 0.46 1.0000e+00 5571 1 1 1 1 24 ARG HH12 6.47 . 6.8 0.33 3.1731e-01 5571 1 1 1 1 24 ARG N 116.8 . 120.8 3.68 2.7706e-01 5571 1 1 1 1 24 ARG NE 85.9 . 84.63 1.68 4.4968e-01 5571 1 1 1 1 24 ARG NH1 72 . 73.82 4.62 6.9363e-01 5571 1 1 1 1 24 ARG NH2 70 A 73.26 3.32 3.2614e-01 5571 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 2 PRO CYS 0.59 5571 1 1 1 1 2 PRO PRO 0.4 5571 1 1 1 1 15 THR THR 0.75 5571 1 1 1 1 15 THR CYS 0.24 5571 1 1 1 1 24 ARG CYS 0.43 5571 1 1 1 1 24 ARG ARG 0.42 5571 1 1 1 1 24 ARG LYS 0.1 5571 1 1 1 1 24 ARG GLY 0.03 5571 1 1 1 1 24 ARG LEU 0.01 5571 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5571 _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 5571 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 5571 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 5571 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5571 _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_