data_AVS_bmrb_pdb_report_15927 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15927 _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 44 TRP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15927 1 1 1 1 50 TYR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15927 1 1 1 1 109 TYR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15927 1 1 1 1 116 TRP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15927 1 1 1 1 141 TYR Anomalous Consistent Consistent Suspicious Anomalous Consistent . . 15927 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 44 TRP CA 52.606 . 57.71 2.65 5.4100e-02 15927 1 1 1 1 44 TRP CB 32.993 . 30.16 2.19 1.9580e-01 15927 1 1 1 1 44 TRP CD1 120.746 . 126.16 1.76 2.0970e-03 15927 1 1 1 1 44 TRP CZ2 110.809 A 114.19 1.09 1.9233e-03 15927 1 1 1 1 44 TRP CZ3 118.086 . 121.57 1.76 4.7755e-02 15927 1 1 1 1 44 TRP CH2 121.236 . 123.75 1.34 6.0639e-02 15927 1 1 1 1 44 TRP H 8.158 . 8.35 0.84 8.1920e-01 15927 1 1 1 1 44 TRP HA 5.941 . 4.74 0.55 2.8989e-02 15927 1 1 1 1 44 TRP HB2 3.290 . 3.22 0.36 8.4583e-01 15927 1 1 1 1 44 TRP HB3 3.232 . 3.18 0.36 8.8515e-01 15927 1 1 1 1 44 TRP HD1 7.033 . 7.16 0.34 7.0875e-01 15927 1 1 1 1 44 TRP HE1 8.762 . 10.13 0.53 9.8477e-03 15927 1 1 1 1 44 TRP HE3 6.935 . 7.17 1.03 8.1953e-01 15927 1 1 1 1 44 TRP HZ2 7.022 . 7.14 0.89 8.9452e-01 15927 1 1 1 1 44 TRP HZ3 6.536 . 6.68 1.02 8.8773e-01 15927 1 1 1 1 44 TRP HH2 6.879 . 6.82 0.94 9.4995e-01 15927 1 1 1 1 44 TRP N 126.580 . 121.87 4.58 3.0377e-01 15927 1 1 1 1 44 TRP NE1 125.202 . 129.48 2.56 9.4703e-02 15927 1 1 1 1 50 TYR CA 56.430 . 58.02 2.64 5.4699e-01 15927 1 1 1 1 50 TYR CB 40.321 . 39.16 2.23 6.0263e-01 15927 1 1 1 1 50 TYR CD1 130.859 . 132.54 1.35 2.1306e-01 15927 1 1 1 1 50 TYR CD2 130.859 . 132.26 1.99 4.8142e-01 15927 1 1 1 1 50 TYR CE1 114.609 . 117.81 2.09 1.2563e-01 15927 1 1 1 1 50 TYR CE2 114.609 A 117.91 2.6 2.0422e-01 15927 1 1 1 1 50 TYR H 9.518 . 8.37 0.75 1.2585e-01 15927 1 1 1 1 50 TYR HA 4.853 . 4.63 0.56 6.9047e-01 15927 1 1 1 1 50 TYR HB2 2.556 . 2.91 0.37 3.3869e-01 15927 1 1 1 1 50 TYR HB3 2.693 . 2.91 0.37 5.5755e-01 15927 1 1 1 1 50 TYR HD1 6.862 . 6.87 0.65 9.9018e-01 15927 1 1 1 1 50 TYR HD2 6.862 . 6.86 0.68 9.9765e-01 15927 1 1 1 1 50 TYR HE1 6.505 . 6.64 0.58 8.1595e-01 15927 1 1 1 1 50 TYR HE2 6.505 . 6.63 0.61 8.3764e-01 15927 1 1 1 1 50 TYR N 124.867 . 120.79 4.69 3.8469e-01 15927 1 1 1 1 109 TYR CA 60.102 . 58.02 2.64 4.3032e-01 15927 1 1 1 1 109 TYR CB 37.890 . 39.16 2.23 5.6901e-01 15927 1 1 1 1 109 TYR CD1 129.864 . 132.54 1.35 4.7454e-02 15927 1 1 1 1 109 TYR CD2 129.864 . 132.26 1.99 2.2858e-01 15927 1 1 1 1 109 TYR CE1 114.505 . 117.81 2.09 1.1380e-01 15927 1 1 1 1 109 TYR CE2 114.505 A 117.91 2.6 1.9033e-01 15927 1 1 1 1 109 TYR H 8.345 . 8.37 0.75 9.7341e-01 15927 1 1 1 1 109 TYR HA 5.151 . 4.63 0.56 3.5219e-01 15927 1 1 1 1 109 TYR HB2 2.621 . 2.91 0.37 4.3476e-01 15927 1 1 1 1 109 TYR HB3 3.371 . 2.91 0.37 2.1278e-01 15927 1 1 1 1 109 TYR HD1 7.262 . 6.87 0.65 5.4646e-01 15927 1 1 1 1 109 TYR HD2 7.262 . 6.86 0.68 5.5440e-01 15927 1 1 1 1 109 TYR HE1 6.573 . 6.64 0.58 9.0804e-01 15927 1 1 1 1 109 TYR HE2 6.573 . 6.63 0.61 9.2555e-01 15927 1 1 1 1 109 TYR N 124.179 . 120.79 4.69 4.6993e-01 15927 1 1 1 1 116 TRP CA 56.413 . 57.71 2.65 6.2453e-01 15927 1 1 1 1 116 TRP CB 32.259 . 30.16 2.19 3.3784e-01 15927 1 1 1 1 116 TRP CD1 125.539 . 126.16 1.76 7.2421e-01 15927 1 1 1 1 116 TRP CE3 116.454 A 120.38 1.5 8.8620e-03 15927 1 1 1 1 116 TRP CZ2 110.783 A 114.19 1.09 1.7739e-03 15927 1 1 1 1 116 TRP CZ3 118.238 . 121.57 1.76 5.8334e-02 15927 1 1 1 1 116 TRP CH2 120.076 . 123.75 1.34 6.1105e-03 15927 1 1 1 1 116 TRP H 9.772 . 8.35 0.84 9.0483e-02 15927 1 1 1 1 116 TRP HA 5.591 . 4.74 0.55 1.2180e-01 15927 1 1 1 1 116 TRP HB2 3.712 . 3.22 0.36 1.7173e-01 15927 1 1 1 1 116 TRP HB3 4.158 . 3.18 0.36 6.5943e-03 15927 1 1 1 1 116 TRP HD1 6.731 . 7.16 0.34 2.0703e-01 15927 1 1 1 1 116 TRP HE1 9.346 . 10.13 0.53 1.3907e-01 15927 1 1 1 1 116 TRP HE3 7.348 . 7.17 1.03 8.6280e-01 15927 1 1 1 1 116 TRP HZ2 7.356 . 7.14 0.89 8.0824e-01 15927 1 1 1 1 116 TRP HZ3 7.047 . 6.68 1.02 7.1899e-01 15927 1 1 1 1 116 TRP HH2 6.612 . 6.82 0.94 8.2488e-01 15927 1 1 1 1 116 TRP N 116.532 . 121.87 4.58 2.4382e-01 15927 1 1 1 1 116 TRP NE1 129.297 . 129.48 2.56 9.4301e-01 15927 1 1 1 1 141 TYR CA 57.091 . 58.02 2.64 7.2492e-01 15927 1 1 1 1 141 TYR CB 39.029 . 39.16 2.23 9.5316e-01 15927 1 1 1 1 141 TYR CD1 129.775 . 132.54 1.35 4.0546e-02 15927 1 1 1 1 141 TYR CD2 129.775 . 132.26 1.99 2.1176e-01 15927 1 1 1 1 141 TYR CE1 114.306 . 117.81 2.09 9.3630e-02 15927 1 1 1 1 141 TYR CE2 114.306 A 117.91 2.6 1.6570e-01 15927 1 1 1 1 141 TYR H 8.386 . 8.37 0.75 9.8298e-01 15927 1 1 1 1 141 TYR HA 4.136 . 4.63 0.56 3.7770e-01 15927 1 1 1 1 141 TYR HB2 0.492 S 2.91 0.37 6.3552e-11 15927 1 1 1 1 141 TYR HB3 1.929 . 2.91 0.37 8.0170e-03 15927 1 1 1 1 141 TYR HD1 5.638 . 6.87 0.65 5.8042e-02 15927 1 1 1 1 141 TYR HD2 5.638 . 6.86 0.68 7.2326e-02 15927 1 1 1 1 141 TYR HE1 6.404 . 6.64 0.58 6.8408e-01 15927 1 1 1 1 141 TYR HE2 6.404 . 6.63 0.61 7.1102e-01 15927 1 1 1 1 141 TYR N 117.480 . 120.79 4.69 4.8034e-01 15927 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 44 TRP TRP 0.98 15927 1 1 1 1 44 TRP GLY 0.01 15927 1 1 1 1 50 TYR TYR 0.99 15927 1 1 1 1 109 TYR TYR 0.99 15927 1 1 1 1 116 TRP TRP 0.99 15927 1 1 1 1 141 TYR TYR 0.99 15927 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15927 _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 15927 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15927 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15927 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15927 _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_