data_AVS_bmrb_pdb_report_15451 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15451 _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 27 GLN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15451 1 1 1 1 33 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 15451 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 27 GLN C 174.303 . 176.39 1.96 2.8697e-01 15451 1 1 1 1 27 GLN CA 56.570 . 56.62 2.19 9.8179e-01 15451 1 1 1 1 27 GLN CB 26.056 . 29.1 1.97 1.2230e-01 15451 1 1 1 1 27 GLN CG 34.377 . 33.72 1.1 5.5033e-01 15451 1 1 1 1 27 GLN CD 181.322 A 179.68 1.17 1.6049e-01 15451 1 1 1 1 27 GLN H 8.386 . 8.22 0.62 7.8890e-01 15451 1 1 1 1 27 GLN HA 3.944 . 4.28 0.44 4.4508e-01 15451 1 1 1 1 27 GLN HB2 2.275 . 2.05 0.28 4.2164e-01 15451 1 1 1 1 27 GLN HB3 2.275 . 2.04 0.29 4.1774e-01 15451 1 1 1 1 27 GLN HG2 2.277 . 2.32 0.29 8.8213e-01 15451 1 1 1 1 27 GLN HG3 2.277 . 2.32 0.29 8.8213e-01 15451 1 1 1 1 27 GLN HE21 7.636 . 7.17 0.46 3.1104e-01 15451 1 1 1 1 27 GLN HE22 6.849 . 7.07 0.49 6.5197e-01 15451 1 1 1 1 27 GLN N 114.310 . 119.92 4.01 1.6181e-01 15451 1 1 1 1 27 GLN NE2 112.845 . 111.81 2.2 6.3803e-01 15451 1 1 1 1 33 HIS C 176.453 . 175.19 2.14 5.5507e-01 15451 1 1 1 1 33 HIS CA 58.938 . 56.37 2.4 2.8462e-01 15451 1 1 1 1 33 HIS CB 31.139 . 29.95 2.15 5.8025e-01 15451 1 1 1 1 33 HIS CD2 117.365 . 119.84 3.3 4.5325e-01 15451 1 1 1 1 33 HIS CE1 139.544 . 136.05 3.58 3.2908e-01 15451 1 1 1 1 33 HIS H 7.988 . 8.25 0.74 7.2330e-01 15451 1 1 1 1 33 HIS HA 3.987 . 4.62 0.51 2.1454e-01 15451 1 1 1 1 33 HIS HB2 2.704 . 3.12 0.43 3.3332e-01 15451 1 1 1 1 33 HIS HB3 3.015 . 3.11 0.45 8.3280e-01 15451 1 1 1 1 33 HIS HD2 6.620 . 7.08 0.5 3.5757e-01 15451 1 1 1 1 33 HIS HE2 7.740 . 10.43 3.11 3.8707e-01 15451 1 1 1 1 33 HIS N 119.091 . 119.44 4.52 9.3845e-01 15451 1 1 1 1 33 HIS ND1 166.888 . 190.74 22.84 2.9634e-01 15451 1 1 1 1 33 HIS NE2 249.473 A 179.81 13.86 5.0032e-07 15451 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 27 GLN CYS 0.65 15451 1 1 1 1 27 GLN GLN 0.21 15451 1 1 1 1 27 GLN GLU 0.12 15451 1 1 1 1 33 HIS CYS 0.49 15451 1 1 1 1 33 HIS HIS 0.33 15451 1 1 1 1 33 HIS TRP 0.17 15451 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15451 _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.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 15451 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15451 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15451 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15451 _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_