data_AVS_bmrb_pdb_report_16252 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16252 _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 22 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16252 1 1 1 1 58 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16252 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 22 LEU C 177.984 . 176.97 2.09 6.2756e-01 16252 1 1 1 1 22 LEU CA 58.209 . 55.65 2.21 2.4690e-01 16252 1 1 1 1 22 LEU CB 37.936 . 42.37 1.86 1.7132e-02 16252 1 1 1 1 22 LEU CG 25.871 . 26.77 1.25 4.7202e-01 16252 1 1 1 1 22 LEU CD1 22.989 . 24.73 1.71 3.0862e-01 16252 1 1 1 1 22 LEU CD2 22.416 . 24.1 1.78 3.4411e-01 16252 1 1 1 1 22 LEU H 7.844 . 8.22 0.65 5.6295e-01 16252 1 1 1 1 22 LEU HA 3.335 . 4.32 0.47 3.6105e-02 16252 1 1 1 1 22 LEU HB2 0.412 S 1.63 0.34 3.4051e-04 16252 1 1 1 1 22 LEU HB3 -1.288 A 1.57 0.36 2.0400e-15 16252 1 1 1 1 22 LEU HG 1.082 . 1.54 0.33 1.6517e-01 16252 1 1 1 1 22 LEU HD11 -0.695 S 0.77 0.27 5.7655e-08 16252 1 1 1 1 22 LEU HD12 -0.695 S 0.77 0.27 5.7655e-08 16252 1 1 1 1 22 LEU HD13 -0.695 S 0.77 0.27 5.7655e-08 16252 1 1 1 1 22 LEU HD21 0.387 . 0.76 0.28 1.8281e-01 16252 1 1 1 1 22 LEU HD22 0.387 . 0.76 0.28 1.8281e-01 16252 1 1 1 1 22 LEU HD23 0.387 . 0.76 0.28 1.8281e-01 16252 1 1 1 1 22 LEU N 121.358 . 121.98 4.07 8.7854e-01 16252 1 1 1 1 58 ARG C 178.534 . 176.49 2.16 3.4400e-01 16252 1 1 1 1 58 ARG CA 56.574 . 56.95 2.41 8.7602e-01 16252 1 1 1 1 58 ARG CB 28.344 . 30.66 1.77 1.9071e-01 16252 1 1 1 1 58 ARG H 7.983 . 8.24 0.6 6.6841e-01 16252 1 1 1 1 58 ARG HA 3.286 . 4.27 0.44 2.5328e-02 16252 1 1 1 1 58 ARG HB2 0.690 S 1.79 0.28 8.5452e-05 16252 1 1 1 1 58 ARG HB3 -0.467 A 1.78 0.28 1.0153e-15 16252 1 1 1 1 58 ARG HG2 0.750 . 1.58 0.27 2.1116e-03 16252 1 1 1 1 58 ARG HG3 0.750 . 1.58 0.27 2.1116e-03 16252 1 1 1 1 58 ARG HD2 1.545 S 3.13 0.23 5.5283e-12 16252 1 1 1 1 58 ARG HD3 1.545 S 3.13 0.22 5.8238e-13 16252 1 1 1 1 58 ARG N 124.218 . 120.61 3.9 3.5490e-01 16252 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 22 LEU LEU 0.72 16252 1 1 1 1 22 LEU VAL 0.21 16252 1 1 1 1 22 LEU ALA 0.06 16252 1 1 1 1 58 ARG LYS 0.18 16252 1 1 1 1 58 ARG GLN 0.18 16252 1 1 1 1 58 ARG HIS 0.14 16252 1 1 1 1 58 ARG TRP 0.12 16252 1 1 1 1 58 ARG GLU 0.11 16252 1 1 1 1 58 ARG ARG 0.08 16252 1 1 1 1 58 ARG LEU 0.08 16252 1 1 1 1 58 ARG ILE 0.03 16252 1 1 1 1 58 ARG MET 0.02 16252 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16252 _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 16252 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16252 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16252 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16252 _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_