data_AVS_bmrb_pdb_report_6464 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6464 _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 6464 1 1 1 1 10 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6464 1 1 1 1 72 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 6464 1 1 1 1 10 GLN C 175.4 . 176.39 1.96 6.1349e-01 6464 1 1 1 1 10 GLN CA 54.0 . 56.62 2.19 2.3156e-01 6464 1 1 1 1 10 GLN CB 32.9 . 29.1 1.97 5.3739e-02 6464 1 1 1 1 10 GLN CG 34.4 . 33.72 1.1 5.3646e-01 6464 1 1 1 1 10 GLN H 8.64 . 8.22 0.62 4.9814e-01 6464 1 1 1 1 10 GLN HA 6.23 M 4.28 0.44 9.3442e-06 6464 1 1 1 1 10 GLN HB2 2.40 . 2.05 0.28 2.1130e-01 6464 1 1 1 1 10 GLN HB3 2.26 . 2.04 0.29 4.4808e-01 6464 1 1 1 1 10 GLN HG2 2.15 . 2.32 0.29 5.5774e-01 6464 1 1 1 1 10 GLN HG3 2.15 . 2.32 0.29 5.5774e-01 6464 1 1 1 1 10 GLN HE21 7.46 . 7.17 0.46 5.2841e-01 6464 1 1 1 1 10 GLN HE22 6.66 . 7.07 0.49 4.0274e-01 6464 1 1 1 1 10 GLN N 119.2 . 119.92 4.01 8.5751e-01 6464 1 1 1 1 10 GLN NE2 110.9 . 111.81 2.2 6.7914e-01 6464 1 1 1 1 72 PHE C 177.7 . 175.49 2.13 2.9948e-01 6464 1 1 1 1 72 PHE CA 62.3 . 58.25 2.73 1.3794e-01 6464 1 1 1 1 72 PHE CB 38.7 . 39.95 2.04 5.4004e-01 6464 1 1 1 1 72 PHE H 6.97 . 8.42 0.74 5.0059e-02 6464 1 1 1 1 72 PHE HA 2.44 M 4.62 0.58 1.7085e-04 6464 1 1 1 1 72 PHE HB2 1.89 . 2.99 0.37 2.9493e-03 6464 1 1 1 1 72 PHE HB3 1.89 . 2.97 0.38 4.4817e-03 6464 1 1 1 1 72 PHE N 121.4 . 120.69 4.18 8.6512e-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 6464 1 1 1 1 10 GLN MET 0.42 6464 1 1 1 1 10 GLN CYS 0.39 6464 1 1 1 1 10 GLN GLN 0.08 6464 1 1 1 1 10 GLN GLU 0.07 6464 1 1 1 1 72 PHE ILE 0.53 6464 1 1 1 1 72 PHE CYS 0.15 6464 1 1 1 1 72 PHE PHE 0.15 6464 1 1 1 1 72 PHE TYR 0.14 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6464 _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 6464 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 6464 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6464 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6464 _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_