data_AVS_bmrb_pdb_report_17670 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17670 _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 53 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 17670 1 1 1 1 77 TRP Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 17670 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 53 HIS C 171.937 . 175.19 2.14 1.2849e-01 17670 1 1 1 1 53 HIS CA 58.934 . 56.37 2.4 2.8537e-01 17670 1 1 1 1 53 HIS CB 32.502 . 29.95 2.15 2.3524e-01 17670 1 1 1 1 53 HIS CD2 115.338 . 119.84 3.3 1.7249e-01 17670 1 1 1 1 53 HIS CE1 140.334 . 136.05 3.58 2.3144e-01 17670 1 1 1 1 53 HIS H 9.166 . 8.25 0.74 2.1578e-01 17670 1 1 1 1 53 HIS HA 4.630 . 4.62 0.51 9.8436e-01 17670 1 1 1 1 53 HIS HB2 2.966 . 3.12 0.43 7.2024e-01 17670 1 1 1 1 53 HIS HB3 3.092 . 3.11 0.45 9.6809e-01 17670 1 1 1 1 53 HIS HD2 6.266 . 7.08 0.5 1.0352e-01 17670 1 1 1 1 53 HIS HE1 7.370 . 8.08 0.57 2.1291e-01 17670 1 1 1 1 53 HIS N 126.469 . 119.44 4.52 1.1992e-01 17670 1 1 1 1 53 HIS ND1 254.349 A 190.74 22.84 5.3531e-03 17670 1 1 1 1 53 HIS NE2 159.766 A 179.81 13.86 1.4813e-01 17670 1 1 1 1 77 TRP C 178.834 . 176.1 1.89 1.4802e-01 17670 1 1 1 1 77 TRP CA 52.713 . 57.71 2.65 5.9341e-02 17670 1 1 1 1 77 TRP CB 35.179 . 30.16 2.19 2.1918e-02 17670 1 1 1 1 77 TRP CD1 122.785 . 126.16 1.76 5.5160e-02 17670 1 1 1 1 77 TRP CE3 119.232 . 120.38 1.5 4.4407e-01 17670 1 1 1 1 77 TRP CZ2 119.941 A 114.19 1.09 1.3193e-07 17670 1 1 1 1 77 TRP CZ3 118.654 . 121.57 1.76 9.7556e-02 17670 1 1 1 1 77 TRP CH2 125.243 . 123.75 1.34 2.6520e-01 17670 1 1 1 1 77 TRP H 8.991 . 8.35 0.84 4.4541e-01 17670 1 1 1 1 77 TRP HA 6.226 . 4.74 0.55 6.8961e-03 17670 1 1 1 1 77 TRP HB2 2.491 . 3.22 0.36 4.2867e-02 17670 1 1 1 1 77 TRP HB3 2.694 . 3.18 0.36 1.7702e-01 17670 1 1 1 1 77 TRP HD1 7.354 . 7.16 0.34 5.6828e-01 17670 1 1 1 1 77 TRP HE3 6.270 . 7.17 1.03 3.8223e-01 17670 1 1 1 1 77 TRP HZ2 7.452 . 7.14 0.89 7.2592e-01 17670 1 1 1 1 77 TRP HZ3 6.464 . 6.68 1.02 8.3229e-01 17670 1 1 1 1 77 TRP HH2 6.384 . 6.82 0.94 6.4277e-01 17670 1 1 1 1 77 TRP N 116.481 . 121.87 4.58 2.3934e-01 17670 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 53 HIS TRP 0.69 17670 1 1 1 1 53 HIS HIS 0.3 17670 1 1 1 1 77 TRP HIS 0.99 17670 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17670 _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 17670 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17670 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17670 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17670 _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_