data_AVS_bmrb_pdb_report_36163 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 36163 _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 30 PRO Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 36163 1 1 1 1 87 TYR Anomalous Consistent Consistent Anomalous Consistent Consistent . . 36163 1 1 1 2 1 MQO UNSUPPORTED . . . . . . . 36163 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 30 PRO CA 64.4960 . 63.33 1.52 4.4302e-01 36163 1 1 1 1 30 PRO CB 31.2270 . 31.85 1.18 5.9752e-01 36163 1 1 1 1 30 PRO CG 26.2240 . 27.17 1.09 3.8545e-01 36163 1 1 1 1 30 PRO CD 50.2380 . 50.32 0.99 9.3399e-01 36163 1 1 1 1 30 PRO HA 4.0740 . 4.4 0.33 3.2321e-01 36163 1 1 1 1 30 PRO HB2 -0.2300 S 2.08 0.35 4.1116e-11 36163 1 1 1 1 30 PRO HB3 1.4390 . 2 0.36 1.1915e-01 36163 1 1 1 1 30 PRO HG2 -0.7090 A 1.93 0.31 1.6963e-17 36163 1 1 1 1 30 PRO HG3 0.7010 S 1.9 0.33 2.7978e-04 36163 1 1 1 1 30 PRO HD2 1.7320 S 3.65 0.35 4.2533e-08 36163 1 1 1 1 30 PRO HD3 2.9350 . 3.61 0.39 8.3493e-02 36163 1 1 1 1 87 TYR CA 62.4780 . 58.13 2.51 8.3225e-02 36163 1 1 1 1 87 TYR CB 40.2300 . 39.32 2.16 6.7354e-01 36163 1 1 1 1 87 TYR CD1 133.4300 . 132.77 1.17 5.7268e-01 36163 1 1 1 1 87 TYR CD2 133.4400 . 132.73 1.3 5.8496e-01 36163 1 1 1 1 87 TYR CE1 118.0510 . 117.93 1.19 9.1901e-01 36163 1 1 1 1 87 TYR CE2 118.0610 . 117.9 1.18 8.9147e-01 36163 1 1 1 1 87 TYR H 8.3530 . 8.32 0.73 9.6394e-01 36163 1 1 1 1 87 TYR HA 4.0870 . 4.63 0.56 3.3222e-01 36163 1 1 1 1 87 TYR HB2 3.0390 . 2.91 0.37 7.2735e-01 36163 1 1 1 1 87 TYR HB3 3.1630 . 2.84 0.39 4.0755e-01 36163 1 1 1 1 87 TYR HD1 7.1230 . 6.93 0.3 5.2001e-01 36163 1 1 1 1 87 TYR HD2 7.1290 . 6.93 0.3 5.0712e-01 36163 1 1 1 1 87 TYR HE1 6.8120 . 6.7 0.23 6.2629e-01 36163 1 1 1 1 87 TYR HE2 6.8130 . 6.71 0.23 6.5428e-01 36163 1 1 1 1 87 TYR HH 4.8490 A 9.3 1.36 1.0649e-03 36163 1 1 1 1 87 TYR N 118.6170 . 120.52 4.2 6.5048e-01 36163 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 30 PRO PRO 0.82 36163 1 1 1 1 30 PRO CYS 0.17 36163 1 1 1 1 87 TYR TYR 0.74 36163 1 1 1 1 87 TYR CYS 0.25 36163 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 36163 _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 36163 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 36163 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 36163 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 36163 _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_