data_AVS_bmrb_pdb_report_5011 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5011 _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 5011 1 1 1 1 8 TYR Anomalous Indeterminable Consistent Anomalous Indeterminable Consistent . . 5011 1 1 1 1 91 GLN Anomalous Indeterminable Consistent Anomalous Indeterminable Consistent . . 5011 1 1 1 1 141 LEU Anomalous Indeterminable Consistent Anomalous Indeterminable Consistent . . 5011 1 1 1 1 147 ASN Anomalous Indeterminable Consistent Anomalous Indeterminable Suspicious . . 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 5011 1 1 1 1 8 TYR H 8.78 . 8.37 0.75 5.8461e-01 5011 1 1 1 1 8 TYR HA 6.69 M 4.63 0.56 2.3454e-04 5011 1 1 1 1 8 TYR N 121.0 . 120.79 4.69 9.6429e-01 5011 1 1 1 1 91 GLN H 8.71 . 8.22 0.62 4.2934e-01 5011 1 1 1 1 91 GLN HA 3.59 . 4.28 0.44 1.1684e-01 5011 1 1 1 1 91 GLN HB2 2.31 . 2.05 0.28 3.5311e-01 5011 1 1 1 1 91 GLN HB3 2.15 . 2.04 0.29 7.0446e-01 5011 1 1 1 1 91 GLN HG2 2.88 . 2.32 0.29 5.3479e-02 5011 1 1 1 1 91 GLN HG3 2.88 . 2.32 0.29 5.3479e-02 5011 1 1 1 1 91 GLN HE21 9.24 M 7.17 0.46 6.7953e-06 5011 1 1 1 1 91 GLN HE22 6.34 . 7.07 0.49 1.3628e-01 5011 1 1 1 1 91 GLN N 123.3 . 119.92 4.01 3.9929e-01 5011 1 1 1 1 91 GLN NE2 109.4 . 111.81 2.2 2.7332e-01 5011 1 1 1 1 141 LEU H 6.84 . 8.22 0.65 3.3747e-02 5011 1 1 1 1 141 LEU HA 2.43 S 4.32 0.47 5.7884e-05 5011 1 1 1 1 141 LEU HB2 -0.15 S 1.63 0.34 1.6472e-07 5011 1 1 1 1 141 LEU HB3 -1.79 M 1.57 0.36 1.0259e-20 5011 1 1 1 1 141 LEU HG 0.38 S 1.54 0.33 4.3950e-04 5011 1 1 1 1 141 LEU HD1 -0.03 . 0.77 0.27 3.0469e-03 5011 1 1 1 1 141 LEU HD2 -0.90 S 0.76 0.28 3.0558e-09 5011 1 1 1 1 141 LEU N 117.4 . 121.98 4.07 2.6046e-01 5011 1 1 1 1 147 ASN H 8.93 . 8.37 0.65 3.8894e-01 5011 1 1 1 1 147 ASN HA 4.97 . 4.7 0.39 4.8874e-01 5011 1 1 1 1 147 ASN HB2 2.88 . 2.8 0.34 8.1398e-01 5011 1 1 1 1 147 ASN HB3 2.43 . 2.78 0.34 3.0329e-01 5011 1 1 1 1 147 ASN HD21 10.10 M 7.27 0.52 5.2595e-08 5011 1 1 1 1 147 ASN HD22 7.80 . 7.2 0.52 2.4856e-01 5011 1 1 1 1 147 ASN N 113.5 . 119.13 4.42 2.0275e-01 5011 1 1 1 1 147 ASN ND2 124.4 S 112.83 2.6 8.5870e-06 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5011 _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 5011 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 5011 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5011 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5011 _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_