data_AVS_bmrb_pdb_report_15581 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15581 _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 15581 1 1 1 1 1 PRO Anomalous Consistent Consistent Consistent Anomalous Indeterminable . . 15581 1 1 1 1 90 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15581 1 1 1 1 133 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 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 15581 1 1 1 1 1 PRO C 170.900 M 176.7 1.69 5.9925e-04 15581 1 1 1 1 1 PRO CA 62.126 . 63.3 1.64 4.7408e-01 15581 1 1 1 1 1 PRO CB 31.631 . 31.81 1.54 9.0747e-01 15581 1 1 1 1 1 PRO HA 4.136 . 4.41 0.36 4.4659e-01 15581 1 1 1 1 1 PRO HB2 1.972 . 2.05 0.39 8.4148e-01 15581 1 1 1 1 90 GLN C 179.075 . 176.39 1.96 1.7072e-01 15581 1 1 1 1 90 GLN CA 59.318 . 56.62 2.19 2.1796e-01 15581 1 1 1 1 90 GLN CB 28.049 . 29.1 1.97 5.9369e-01 15581 1 1 1 1 90 GLN CG 33.940 . 33.72 1.1 8.4148e-01 15581 1 1 1 1 90 GLN H 8.152 . 8.22 0.62 9.1267e-01 15581 1 1 1 1 90 GLN HA 4.020 . 4.28 0.44 5.5458e-01 15581 1 1 1 1 90 GLN HB2 2.234 . 2.05 0.28 5.1109e-01 15581 1 1 1 1 90 GLN HB3 2.234 . 2.04 0.29 5.0352e-01 15581 1 1 1 1 90 GLN HG2 2.517 . 2.32 0.29 4.9694e-01 15581 1 1 1 1 90 GLN HG3 2.373 . 2.32 0.29 8.5499e-01 15581 1 1 1 1 90 GLN HE21 9.444 M 7.17 0.46 7.6741e-07 15581 1 1 1 1 90 GLN HE22 7.854 . 7.07 0.49 1.0960e-01 15581 1 1 1 1 90 GLN N 122.122 . 119.92 4.01 5.8292e-01 15581 1 1 1 1 90 GLN NE2 114.486 . 111.81 2.2 2.2385e-01 15581 1 1 1 1 133 ARG C 176.664 . 176.49 2.16 9.3580e-01 15581 1 1 1 1 133 ARG CA 59.355 . 56.95 2.41 3.1832e-01 15581 1 1 1 1 133 ARG CB 30.451 . 30.66 1.77 9.0601e-01 15581 1 1 1 1 133 ARG CG 30.401 . 27.31 1.65 6.1023e-02 15581 1 1 1 1 133 ARG CD 43.412 . 43.1 1.1 7.7669e-01 15581 1 1 1 1 133 ARG H 8.006 . 8.24 0.6 6.9654e-01 15581 1 1 1 1 133 ARG HA 4.027 . 4.27 0.44 5.8076e-01 15581 1 1 1 1 133 ARG HB2 2.069 . 1.79 0.28 3.1904e-01 15581 1 1 1 1 133 ARG HB3 1.725 . 1.78 0.28 8.4427e-01 15581 1 1 1 1 133 ARG HG2 1.924 . 1.58 0.27 2.0264e-01 15581 1 1 1 1 133 ARG HG3 1.924 . 1.58 0.27 2.0264e-01 15581 1 1 1 1 133 ARG HD2 3.290 . 3.13 0.23 4.8665e-01 15581 1 1 1 1 133 ARG HD3 3.176 . 3.13 0.22 8.3438e-01 15581 1 1 1 1 133 ARG HE 8.068 . 7.32 0.52 1.5030e-01 15581 1 1 1 1 133 ARG N 113.062 . 120.61 3.9 5.2943e-02 15581 1 1 1 1 133 ARG NE 131.480 M 89.8 12.83 1.1596e-03 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 15581 1 1 1 1 1 PRO VAL 0.31 15581 1 1 1 1 1 PRO PRO 0.28 15581 1 1 1 1 1 PRO CYS 0.13 15581 1 1 1 1 1 PRO ILE 0.08 15581 1 1 1 1 1 PRO TRP 0.07 15581 1 1 1 1 1 PRO ARG 0.03 15581 1 1 1 1 1 PRO GLU 0.02 15581 1 1 1 1 1 PRO LYS 0.01 15581 1 1 1 1 1 PRO HIS 0.01 15581 1 1 1 1 1 PRO MET 0.01 15581 1 1 1 1 90 GLN CYS 0.31 15581 1 1 1 1 90 GLN LYS 0.21 15581 1 1 1 1 90 GLN GLN 0.21 15581 1 1 1 1 90 GLN GLU 0.1 15581 1 1 1 1 90 GLN ARG 0.07 15581 1 1 1 1 90 GLN ILE 0.04 15581 1 1 1 1 90 GLN MET 0.01 15581 1 1 1 1 90 GLN PRO 0.01 15581 1 1 1 1 133 ARG CYS 0.53 15581 1 1 1 1 133 ARG ARG 0.23 15581 1 1 1 1 133 ARG GLY 0.12 15581 1 1 1 1 133 ARG LYS 0.09 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15581 _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 15581 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 15581 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15581 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15581 _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_