data_AVS_bmrb_pdb_report_15823 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15823 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 15823 1 1 1 1 19 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HD2" 0.9912 15823 1 1 1 1 28 TRP Anomalous Consistent Suspicious Anomalous Consistent Consistent "HE1 > HD1" 0.9930 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 15823 1 1 1 1 19 ARG C 174.879 . 176.49 2.16 4.5577e-01 15823 1 1 1 1 19 ARG CA 56.158 . 56.95 2.41 7.4243e-01 15823 1 1 1 1 19 ARG CG 27.677 . 27.31 1.65 8.2398e-01 15823 1 1 1 1 19 ARG CD 43.884 . 43.1 1.1 4.7601e-01 15823 1 1 1 1 19 ARG H 7.577 . 8.24 0.6 2.6916e-01 15823 1 1 1 1 19 ARG HA 1.754 M 4.27 0.44 1.0767e-08 15823 1 1 1 1 19 ARG HG2 1.057 . 1.58 0.27 5.2741e-02 15823 1 1 1 1 19 ARG HG3 1.057 . 1.58 0.27 5.2741e-02 15823 1 1 1 1 19 ARG HD2 3.239 . 3.13 0.23 6.3556e-01 15823 1 1 1 1 19 ARG HD3 3.169 . 3.13 0.22 8.5929e-01 15823 1 1 1 1 19 ARG N 118.983 . 120.61 3.9 6.7655e-01 15823 1 1 1 1 28 TRP C 175.564 . 176.1 1.89 7.7672e-01 15823 1 1 1 1 28 TRP CA 55.694 . 57.71 2.65 4.4680e-01 15823 1 1 1 1 28 TRP CB 30.093 . 30.16 2.19 9.7559e-01 15823 1 1 1 1 28 TRP CD1 129.082 . 126.16 1.76 9.6869e-02 15823 1 1 1 1 28 TRP CE3 121.600 . 120.38 1.5 4.1603e-01 15823 1 1 1 1 28 TRP CZ2 115.000 . 114.19 1.09 4.5741e-01 15823 1 1 1 1 28 TRP CH2 123.000 . 123.75 1.34 5.7568e-01 15823 1 1 1 1 28 TRP H 7.097 . 8.35 0.84 1.3579e-01 15823 1 1 1 1 28 TRP HA 4.521 . 4.74 0.55 6.9050e-01 15823 1 1 1 1 28 TRP HB2 3.115 . 3.22 0.36 7.7054e-01 15823 1 1 1 1 28 TRP HB3 2.733 . 3.18 0.36 2.1436e-01 15823 1 1 1 1 28 TRP HD1 7.295 . 7.16 0.34 6.9132e-01 15823 1 1 1 1 28 TRP HE1 6.438 M 10.13 0.53 3.2599e-12 15823 1 1 1 1 28 TRP HE3 8.250 . 7.17 1.03 2.9439e-01 15823 1 1 1 1 28 TRP HZ2 7.555 . 7.14 0.89 6.4101e-01 15823 1 1 1 1 28 TRP HH2 7.453 . 6.82 0.94 5.0069e-01 15823 1 1 1 1 28 TRP N 120.506 . 121.87 4.58 7.6584e-01 15823 1 1 1 1 28 TRP NE1 125.835 . 129.48 2.56 1.5450e-01 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 15823 1 1 1 1 19 ARG ARG 0.32 15823 1 1 1 1 19 ARG LEU 0.27 15823 1 1 1 1 19 ARG CYS 0.21 15823 1 1 1 1 19 ARG GLY 0.11 15823 1 1 1 1 19 ARG LYS 0.05 15823 1 1 1 1 28 TRP CYS 0.56 15823 1 1 1 1 28 TRP TRP 0.39 15823 1 1 1 1 28 TRP HIS 0.03 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15823 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 15823 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 15823 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15823 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15823 _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_