data_AVS_bmrb_pdb_report_25799 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25799 _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 79 ARG Anomalous Suspicious Consistent Anomalous Suspicious Consistent . . 25799 1 1 1 1 117 TRP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 25799 1 1 1 2 2 NAG UNSUPPORTED . . . . . . . 25799 1 1 1 2 3 FUC UNSUPPORTED . . . . . . . 25799 1 1 1 2 5 SIA UNSUPPORTED . . . . . . . 25799 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 79 ARG C 176.248 . 176.41 2.03 9.3639e-01 25799 1 1 1 1 79 ARG CA 57.88 . 56.77 2.31 6.3086e-01 25799 1 1 1 1 79 ARG CB 31.021 . 30.7 1.83 8.6076e-01 25799 1 1 1 1 79 ARG CG 29.795 . 27.21 1.2 3.1227e-02 25799 1 1 1 1 79 ARG CD 42.223 . 43.16 0.88 2.8698e-01 25799 1 1 1 1 79 ARG CZ 172.67 S 159.97 2.95 1.6692e-05 25799 1 1 1 1 79 ARG H 7.973 . 8.24 0.61 6.6160e-01 25799 1 1 1 1 79 ARG HA 4.479 . 4.3 0.46 6.9718e-01 25799 1 1 1 1 79 ARG HB2 2.493 . 1.79 0.27 9.2222e-03 25799 1 1 1 1 79 ARG HB3 1.719 . 1.76 0.28 8.8358e-01 25799 1 1 1 1 79 ARG HG2 1.402 . 1.57 0.27 5.3380e-01 25799 1 1 1 1 79 ARG HG3 1.662 . 1.54 0.29 6.7398e-01 25799 1 1 1 1 79 ARG HD2 3.634 . 3.12 0.24 3.2220e-02 25799 1 1 1 1 79 ARG HD3 3.376 . 3.1 0.26 2.8845e-01 25799 1 1 1 1 79 ARG HE 6.672 . 7.4 0.63 2.4786e-01 25799 1 1 1 1 79 ARG HH12 10.281 A 6.8 0.33 5.1623e-26 25799 1 1 1 1 79 ARG HH22 9.579 S 6.76 0.36 4.8572e-15 25799 1 1 1 1 79 ARG N 118.17 . 120.8 3.68 4.7481e-01 25799 1 1 1 1 79 ARG NE 81.444 . 84.63 1.68 5.7904e-02 25799 1 1 1 1 117 TRP C 175.423 . 176.12 2.01 7.2877e-01 25799 1 1 1 1 117 TRP CA 57.436 . 57.66 2.58 9.3081e-01 25799 1 1 1 1 117 TRP CB 33.134 . 30.01 2.01 1.2013e-01 25799 1 1 1 1 117 TRP CD1 125.147 . 126.51 1.83 4.5639e-01 25799 1 1 1 1 117 TRP CE3 120.038 . 120.43 1.79 8.2665e-01 25799 1 1 1 1 117 TRP CZ2 112.871 . 114.26 1.12 2.1491e-01 25799 1 1 1 1 117 TRP CZ3 120.099 . 121.35 1.53 4.1356e-01 25799 1 1 1 1 117 TRP CH2 123.369 . 123.86 1.42 7.2951e-01 25799 1 1 1 1 117 TRP H 9.309 . 8.29 0.79 1.9709e-01 25799 1 1 1 1 117 TRP HA 4.428 . 4.68 0.53 6.3445e-01 25799 1 1 1 1 117 TRP HB2 2.686 . 3.19 0.35 1.4987e-01 25799 1 1 1 1 117 TRP HB3 2.622 . 3.12 0.36 1.6656e-01 25799 1 1 1 1 117 TRP HD1 4.595 A 7.14 0.36 1.5556e-12 25799 1 1 1 1 117 TRP HE1 8.249 . 10.08 0.66 5.5330e-03 25799 1 1 1 1 117 TRP HE3 6.969 . 7.31 0.41 4.0557e-01 25799 1 1 1 1 117 TRP HZ2 5.439 S 7.28 0.33 2.4220e-08 25799 1 1 1 1 117 TRP HZ3 6.385 . 6.86 0.4 2.3503e-01 25799 1 1 1 1 117 TRP HH2 5.423 S 6.98 0.39 6.5433e-05 25799 1 1 1 1 117 TRP N 123.168 . 121.68 4.18 7.2185e-01 25799 1 1 1 1 117 TRP NE1 126.393 . 129.32 2.11 1.6538e-01 25799 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 79 ARG CYS 0.97 25799 1 1 1 1 79 ARG GLY 0.01 25799 1 1 1 1 117 TRP CYS 0.65 25799 1 1 1 1 117 TRP TRP 0.34 25799 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25799 _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 25799 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25799 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25799 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25799 _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_