data_AVS_bmrb_pdb_report_4841 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4841 _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 4841 1 1 1 1 76 PHE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 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 4841 1 1 1 1 76 PHE C 177.151 . 175.49 2.13 4.3550e-01 4841 1 1 1 1 76 PHE CA 60.653 . 58.25 2.73 3.7874e-01 4841 1 1 1 1 76 PHE CB 38.982 . 39.95 2.04 6.3514e-01 4841 1 1 1 1 76 PHE CD1 131.994 . 131.38 1.38 6.5637e-01 4841 1 1 1 1 76 PHE CE1 130.618 . 130.48 1.29 9.1481e-01 4841 1 1 1 1 76 PHE CZ 129.059 . 129.11 1.68 9.7578e-01 4841 1 1 1 1 76 PHE H 7.648 . 8.42 0.74 2.9684e-01 4841 1 1 1 1 76 PHE HA 4.351 . 4.62 0.58 6.4280e-01 4841 1 1 1 1 76 PHE HB2 3.296 . 2.99 0.37 4.0822e-01 4841 1 1 1 1 76 PHE HB3 4.097 M 2.97 0.38 3.0191e-03 4841 1 1 1 1 76 PHE HD1 7.374 . 6.91 0.82 5.7149e-01 4841 1 1 1 1 76 PHE HD2 7.374 . 6.89 0.86 5.7358e-01 4841 1 1 1 1 76 PHE HE1 7.097 . 6.95 0.82 8.5773e-01 4841 1 1 1 1 76 PHE HE2 7.097 . 6.94 0.86 8.5514e-01 4841 1 1 1 1 76 PHE HZ 6.833 . 6.92 0.8 9.1340e-01 4841 1 1 1 1 76 PHE N 119.448 . 120.69 4.18 7.6637e-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 4841 1 1 1 1 76 PHE PHE 0.52 4841 1 1 1 1 76 PHE TYR 0.47 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4841 _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 4841 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 4841 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4841 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4841 _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_