data_AVS_bmrb_pdb_report_11124 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11124 _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 19 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11124 1 1 1 1 56 GLN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 11124 1 1 1 1 86 TYR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 11124 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 19 GLU C 174.228 . 176.93 2.11 2.0034e-01 11124 1 1 1 1 19 GLU CA 57.826 . 57.42 2.19 8.5292e-01 11124 1 1 1 1 19 GLU CB 27.158 . 30.07 1.84 1.1351e-01 11124 1 1 1 1 19 GLU CG 34.337 . 36.01 1.51 2.6788e-01 11124 1 1 1 1 19 GLU H 7.296 . 8.34 0.61 8.6993e-02 11124 1 1 1 1 19 GLU HA 3.259 . 4.26 0.43 1.9917e-02 11124 1 1 1 1 19 GLU HB2 2.054 . 2.04 0.22 9.4926e-01 11124 1 1 1 1 19 GLU HB3 1.501 . 2.04 0.23 1.9105e-02 11124 1 1 1 1 19 GLU HG2 0.840 A 2.31 0.21 2.5596e-12 11124 1 1 1 1 19 GLU HG3 1.491 S 2.31 0.21 9.6193e-05 11124 1 1 1 1 19 GLU N 116.878 . 120.68 3.68 3.0153e-01 11124 1 1 1 1 56 GLN C 168.090 A 176.39 1.96 2.2886e-05 11124 1 1 1 1 56 GLN CA 50.717 . 56.62 2.19 7.0297e-03 11124 1 1 1 1 56 GLN CB 27.789 . 29.1 1.97 5.0574e-01 11124 1 1 1 1 56 GLN CG 32.589 . 33.72 1.1 3.0386e-01 11124 1 1 1 1 56 GLN H 8.497 . 8.22 0.62 6.5504e-01 11124 1 1 1 1 56 GLN HA 4.534 . 4.28 0.44 5.6376e-01 11124 1 1 1 1 56 GLN HB2 1.695 . 2.05 0.28 2.0485e-01 11124 1 1 1 1 56 GLN HB3 1.824 . 2.04 0.29 4.5638e-01 11124 1 1 1 1 56 GLN HG2 1.978 . 2.32 0.29 2.3827e-01 11124 1 1 1 1 56 GLN HG3 2.251 . 2.32 0.29 8.1193e-01 11124 1 1 1 1 56 GLN HE21 7.473 . 7.17 0.46 5.1009e-01 11124 1 1 1 1 56 GLN HE22 6.697 . 7.07 0.49 4.4652e-01 11124 1 1 1 1 56 GLN N 119.113 . 119.92 4.01 8.4051e-01 11124 1 1 1 1 56 GLN NE2 109.177 . 111.81 2.2 2.3138e-01 11124 1 1 1 1 86 TYR C 172.742 . 175.39 1.89 1.6120e-01 11124 1 1 1 1 86 TYR CA 57.817 . 58.02 2.64 9.3871e-01 11124 1 1 1 1 86 TYR CB 37.756 . 39.16 2.23 5.2896e-01 11124 1 1 1 1 86 TYR CD1 130.758 . 132.54 1.35 1.8683e-01 11124 1 1 1 1 86 TYR CD2 130.758 . 132.26 1.99 4.5038e-01 11124 1 1 1 1 86 TYR CE1 114.764 . 117.81 2.09 1.4500e-01 11124 1 1 1 1 86 TYR CE2 114.764 A 117.91 2.6 2.2628e-01 11124 1 1 1 1 86 TYR H 7.750 . 8.37 0.75 4.0843e-01 11124 1 1 1 1 86 TYR HA 4.062 . 4.63 0.56 3.1045e-01 11124 1 1 1 1 86 TYR HB2 3.001 . 2.91 0.37 8.0572e-01 11124 1 1 1 1 86 TYR HB3 2.852 . 2.91 0.37 8.7544e-01 11124 1 1 1 1 86 TYR HD1 6.732 . 6.87 0.65 8.3187e-01 11124 1 1 1 1 86 TYR HD2 6.732 . 6.86 0.68 8.5069e-01 11124 1 1 1 1 86 TYR HE1 6.483 . 6.64 0.58 7.8663e-01 11124 1 1 1 1 86 TYR HE2 6.483 . 6.63 0.61 8.0957e-01 11124 1 1 1 1 86 TYR N 118.657 . 120.79 4.69 6.4925e-01 11124 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 19 GLU CYS 0.35 11124 1 1 1 1 19 GLU GLN 0.23 11124 1 1 1 1 19 GLU LYS 0.18 11124 1 1 1 1 19 GLU GLU 0.1 11124 1 1 1 1 19 GLU ARG 0.07 11124 1 1 1 1 19 GLU ILE 0.03 11124 1 1 1 1 56 GLN PRO 0.75 11124 1 1 1 1 56 GLN CYS 0.12 11124 1 1 1 1 56 GLN LYS 0.04 11124 1 1 1 1 56 GLN ARG 0.04 11124 1 1 1 1 56 GLN GLN 0.02 11124 1 1 1 1 56 GLN MET 0.01 11124 1 1 1 1 86 TYR CYS 0.66 11124 1 1 1 1 86 TYR TYR 0.33 11124 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11124 _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 11124 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11124 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11124 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11124 _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_