data_AVS_bmrb_pdb_report_15642 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15642 _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 39 PHE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15642 1 1 1 1 80 TRP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15642 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 39 PHE C 175.38 . 175.49 2.13 9.5881e-01 15642 1 1 1 1 39 PHE CA 57.58 . 58.25 2.73 8.0613e-01 15642 1 1 1 1 39 PHE CB 44.99 . 39.95 2.04 1.3489e-02 15642 1 1 1 1 39 PHE CD1 133.20 . 131.38 1.38 1.8722e-01 15642 1 1 1 1 39 PHE CD2 133.20 . 131.33 1.48 2.0640e-01 15642 1 1 1 1 39 PHE CE1 130.70 . 130.48 1.29 8.6458e-01 15642 1 1 1 1 39 PHE CE2 139.70 A 130.6 0.97 6.5076e-21 15642 1 1 1 1 39 PHE CZ 129.50 . 129.11 1.68 8.1643e-01 15642 1 1 1 1 39 PHE H 7.50 . 8.42 0.74 2.1378e-01 15642 1 1 1 1 39 PHE HA 4.97 . 4.62 0.58 5.4621e-01 15642 1 1 1 1 39 PHE HB2 2.77 . 2.99 0.37 5.5211e-01 15642 1 1 1 1 39 PHE HB3 3.09 . 2.97 0.38 7.5216e-01 15642 1 1 1 1 39 PHE HD1 7.42 . 6.91 0.82 5.3397e-01 15642 1 1 1 1 39 PHE HD2 7.42 . 6.89 0.86 5.3771e-01 15642 1 1 1 1 39 PHE HE1 7.20 . 6.95 0.82 7.6046e-01 15642 1 1 1 1 39 PHE HE2 7.20 . 6.94 0.86 7.6240e-01 15642 1 1 1 1 39 PHE HZ 7.33 . 6.92 0.8 6.0830e-01 15642 1 1 1 1 39 PHE N 115.37 . 120.69 4.18 2.0311e-01 15642 1 1 1 1 80 TRP C 178.21 . 176.1 1.89 2.6425e-01 15642 1 1 1 1 80 TRP CA 62.49 . 57.71 2.65 7.1267e-02 15642 1 1 1 1 80 TRP CB 29.80 . 30.16 2.19 8.6943e-01 15642 1 1 1 1 80 TRP CD1 126.80 . 126.16 1.76 7.1613e-01 15642 1 1 1 1 80 TRP CE3 131.40 A 120.38 1.5 2.0321e-13 15642 1 1 1 1 80 TRP CZ2 114.50 . 114.19 1.09 7.7610e-01 15642 1 1 1 1 80 TRP CZ3 121.90 . 121.57 1.76 8.5127e-01 15642 1 1 1 1 80 TRP CH2 124.80 . 123.75 1.34 4.3329e-01 15642 1 1 1 1 80 TRP H 8.90 . 8.35 0.84 5.1262e-01 15642 1 1 1 1 80 TRP HA 4.02 . 4.74 0.55 1.9050e-01 15642 1 1 1 1 80 TRP HB2 3.40 . 3.22 0.36 6.1707e-01 15642 1 1 1 1 80 TRP HB3 3.40 . 3.18 0.36 5.4113e-01 15642 1 1 1 1 80 TRP HD1 6.71 . 7.16 0.34 1.8566e-01 15642 1 1 1 1 80 TRP HE1 9.95 . 10.13 0.53 7.3414e-01 15642 1 1 1 1 80 TRP HE3 6.82 . 7.17 1.03 7.3400e-01 15642 1 1 1 1 80 TRP HZ2 7.46 . 7.14 0.89 7.1918e-01 15642 1 1 1 1 80 TRP HZ3 6.73 . 6.68 1.02 9.6090e-01 15642 1 1 1 1 80 TRP HH2 7.14 . 6.82 0.94 7.3354e-01 15642 1 1 1 1 80 TRP N 125.87 . 121.87 4.58 3.8247e-01 15642 1 1 1 1 80 TRP NE1 127.31 . 129.48 2.56 3.9663e-01 15642 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 39 PHE GLY 0.84 15642 1 1 1 1 39 PHE PHE 0.15 15642 1 1 1 1 80 TRP TRP 0.99 15642 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15642 _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 15642 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15642 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15642 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15642 _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_