data_AVS_bmrb_pdb_report_16592 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16592 _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 13 ASN Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16592 1 1 1 1 21 ASN Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16592 1 1 1 1 40 ASN Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16592 1 1 1 1 47 ASN Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16592 1 1 1 1 49 ASN Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16592 1 1 1 1 51 GLN Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16592 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 13 ASN CA 52.945 . 53.43 1.94 8.0259e-01 16592 1 1 1 1 13 ASN CB 39.596 . 38.66 1.78 5.9900e-01 16592 1 1 1 1 13 ASN H 8.616 . 8.37 0.65 7.0509e-01 16592 1 1 1 1 13 ASN HA 5.024 . 4.7 0.39 4.0610e-01 16592 1 1 1 1 13 ASN HB2 2.916 . 2.8 0.34 7.3297e-01 16592 1 1 1 1 13 ASN HB3 2.411 . 2.78 0.34 2.7779e-01 16592 1 1 1 1 13 ASN HD21 7.415 . 7.27 0.52 7.8036e-01 16592 1 1 1 1 13 ASN HD22 7.100 . 7.2 0.52 8.4750e-01 16592 1 1 1 1 13 ASN N 122.544 . 119.13 4.42 4.3988e-01 16592 1 1 1 1 13 ASN ND2 144.521 A 112.83 2.6 3.5643e-34 16592 1 1 1 1 21 ASN CA 52.935 . 53.43 1.94 7.9860e-01 16592 1 1 1 1 21 ASN CB 36.494 . 38.66 1.78 2.2366e-01 16592 1 1 1 1 21 ASN H 8.752 . 8.37 0.65 5.5674e-01 16592 1 1 1 1 21 ASN HA 4.580 . 4.7 0.39 7.5832e-01 16592 1 1 1 1 21 ASN HB2 2.526 . 2.8 0.34 4.2031e-01 16592 1 1 1 1 21 ASN HB3 2.507 . 2.78 0.34 4.2201e-01 16592 1 1 1 1 21 ASN HD21 7.233 . 7.27 0.52 9.4328e-01 16592 1 1 1 1 21 ASN HD22 6.121 . 7.2 0.52 3.7987e-02 16592 1 1 1 1 21 ASN N 115.437 . 119.13 4.42 4.0343e-01 16592 1 1 1 1 21 ASN ND2 143.449 A 112.83 2.6 5.1568e-32 16592 1 1 1 1 40 ASN CA 54.054 . 53.43 1.94 7.4772e-01 16592 1 1 1 1 40 ASN CB 41.280 . 38.66 1.78 1.4104e-01 16592 1 1 1 1 40 ASN H 8.802 . 8.37 0.65 5.0630e-01 16592 1 1 1 1 40 ASN HA 4.774 . 4.7 0.39 8.4951e-01 16592 1 1 1 1 40 ASN HB2 2.930 . 2.8 0.34 7.0220e-01 16592 1 1 1 1 40 ASN HB3 2.915 . 2.78 0.34 6.9132e-01 16592 1 1 1 1 40 ASN HD21 8.102 . 7.27 0.52 1.0960e-01 16592 1 1 1 1 40 ASN HD22 7.030 . 7.2 0.52 7.4373e-01 16592 1 1 1 1 40 ASN N 119.687 . 119.13 4.42 8.9972e-01 16592 1 1 1 1 40 ASN ND2 145.934 A 112.83 2.6 3.9111e-37 16592 1 1 1 1 47 ASN CA 52.281 . 53.43 1.94 5.5367e-01 16592 1 1 1 1 47 ASN CB 39.208 . 38.66 1.78 7.5818e-01 16592 1 1 1 1 47 ASN H 8.855 . 8.37 0.65 4.5557e-01 16592 1 1 1 1 47 ASN HA 5.016 . 4.7 0.39 4.1779e-01 16592 1 1 1 1 47 ASN HB2 2.756 . 2.8 0.34 8.9703e-01 16592 1 1 1 1 47 ASN HB3 2.515 . 2.78 0.34 4.3574e-01 16592 1 1 1 1 47 ASN HD21 7.352 . 7.27 0.52 8.7470e-01 16592 1 1 1 1 47 ASN HD22 6.679 . 7.2 0.52 3.1638e-01 16592 1 1 1 1 47 ASN N 119.209 . 119.13 4.42 9.8574e-01 16592 1 1 1 1 47 ASN ND2 81.254 A 112.83 2.6 6.1270e-34 16592 1 1 1 1 49 ASN CA 53.309 . 53.43 1.94 9.5027e-01 16592 1 1 1 1 49 ASN CB 37.118 . 38.66 1.78 3.8633e-01 16592 1 1 1 1 49 ASN H 8.807 . 8.37 0.65 5.0139e-01 16592 1 1 1 1 49 ASN HA 4.110 . 4.7 0.39 1.3033e-01 16592 1 1 1 1 49 ASN HB2 2.796 . 2.8 0.34 9.9061e-01 16592 1 1 1 1 49 ASN HB3 2.113 . 2.78 0.34 4.9790e-02 16592 1 1 1 1 49 ASN HD21 6.841 . 7.27 0.52 4.0937e-01 16592 1 1 1 1 49 ASN HD22 6.601 . 7.2 0.52 2.4935e-01 16592 1 1 1 1 49 ASN N 125.133 . 119.13 4.42 1.7442e-01 16592 1 1 1 1 49 ASN ND2 141.238 A 112.83 2.6 8.6435e-28 16592 1 1 1 1 51 GLN CA 53.530 . 56.62 2.19 1.5826e-01 16592 1 1 1 1 51 GLN CB 31.653 . 29.1 1.97 1.9500e-01 16592 1 1 1 1 51 GLN CG 33.421 . 33.72 1.1 7.8576e-01 16592 1 1 1 1 51 GLN H 7.799 . 8.22 0.62 4.9712e-01 16592 1 1 1 1 51 GLN HA 4.651 . 4.28 0.44 3.9913e-01 16592 1 1 1 1 51 GLN HB2 2.053 . 2.05 0.28 9.9145e-01 16592 1 1 1 1 51 GLN HB3 2.050 . 2.04 0.29 9.7249e-01 16592 1 1 1 1 51 GLN HG2 2.331 . 2.32 0.29 9.6974e-01 16592 1 1 1 1 51 GLN HG3 2.250 . 2.32 0.29 8.0926e-01 16592 1 1 1 1 51 GLN HE21 7.476 . 7.17 0.46 5.0591e-01 16592 1 1 1 1 51 GLN HE22 6.937 . 7.07 0.49 7.8606e-01 16592 1 1 1 1 51 GLN N 119.235 . 119.92 4.01 8.6436e-01 16592 1 1 1 1 51 GLN NE2 81.255 A 111.81 2.2 7.4235e-44 16592 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 13 ASN ASN 0.46 16592 1 1 1 1 13 ASN ASP 0.33 16592 1 1 1 1 13 ASN LEU 0.08 16592 1 1 1 1 13 ASN TYR 0.08 16592 1 1 1 1 13 ASN LYS 0.01 16592 1 1 1 1 21 ASN ASN 0.54 16592 1 1 1 1 21 ASN GLU 0.13 16592 1 1 1 1 21 ASN MET 0.12 16592 1 1 1 1 21 ASN TYR 0.08 16592 1 1 1 1 21 ASN LYS 0.03 16592 1 1 1 1 21 ASN ASP 0.03 16592 1 1 1 1 21 ASN GLN 0.01 16592 1 1 1 1 40 ASN ASP 0.34 16592 1 1 1 1 40 ASN LEU 0.24 16592 1 1 1 1 40 ASN LYS 0.15 16592 1 1 1 1 40 ASN ASN 0.12 16592 1 1 1 1 40 ASN TYR 0.07 16592 1 1 1 1 40 ASN ARG 0.04 16592 1 1 1 1 47 ASN ASN 0.58 16592 1 1 1 1 47 ASN ASP 0.27 16592 1 1 1 1 47 ASN TYR 0.06 16592 1 1 1 1 47 ASN LEU 0.05 16592 1 1 1 1 49 ASN ASN 0.58 16592 1 1 1 1 49 ASN TYR 0.11 16592 1 1 1 1 49 ASN GLU 0.11 16592 1 1 1 1 49 ASN ASP 0.07 16592 1 1 1 1 49 ASN MET 0.06 16592 1 1 1 1 49 ASN LYS 0.01 16592 1 1 1 1 51 GLN MET 0.6 16592 1 1 1 1 51 GLN GLN 0.24 16592 1 1 1 1 51 GLN LYS 0.07 16592 1 1 1 1 51 GLN GLU 0.06 16592 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16592 _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 16592 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16592 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16592 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16592 _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_