data_AVS_bmrb_pdb_report_4373 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4373 _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 4373 1 1 1 1 18 PRO Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 4373 1 1 1 1 96 TRP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 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 4373 1 1 1 1 18 PRO CA 62.21 . 63.3 1.64 5.0628e-01 4373 1 1 1 1 18 PRO CB 30.5 . 31.81 1.54 3.9496e-01 4373 1 1 1 1 18 PRO HA 4.1 . 4.41 0.36 3.8918e-01 4373 1 1 1 1 18 PRO HB2 0.79 . 2.05 0.39 1.2346e-03 4373 1 1 1 1 18 PRO HB3 -0.29 M 2.05 0.39 1.9732e-09 4373 1 1 1 1 96 TRP CA 63.57 . 57.71 2.65 2.7014e-02 4373 1 1 1 1 96 TRP CB 27.26 . 30.16 2.19 1.8544e-01 4373 1 1 1 1 96 TRP H 8.69 . 8.35 0.84 6.8565e-01 4373 1 1 1 1 96 TRP HA 3.63 . 4.74 0.55 4.3572e-02 4373 1 1 1 1 96 TRP HB2 3.23 . 3.22 0.36 9.7784e-01 4373 1 1 1 1 96 TRP HB3 2.89 . 3.18 0.36 4.2050e-01 4373 1 1 1 1 96 TRP HD1 7.95 . 7.16 0.34 2.0151e-02 4373 1 1 1 1 96 TRP HE1 12.16 M 10.13 0.53 1.2805e-04 4373 1 1 1 1 96 TRP HE3 7.16 . 7.17 1.03 9.9225e-01 4373 1 1 1 1 96 TRP HZ2 6.0 . 7.14 0.89 2.0023e-01 4373 1 1 1 1 96 TRP HZ3 6.6 . 6.68 1.02 9.3749e-01 4373 1 1 1 1 96 TRP HH2 6.48 . 6.82 0.94 7.1757e-01 4373 1 1 1 1 96 TRP N 118.74 . 121.87 4.58 4.9435e-01 4373 1 1 1 1 96 TRP NE1 135.32 . 129.48 2.56 2.2534e-02 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 4373 1 1 1 1 18 PRO PRO 0.26 4373 1 1 1 1 18 PRO VAL 0.25 4373 1 1 1 1 18 PRO ILE 0.22 4373 1 1 1 1 18 PRO TRP 0.11 4373 1 1 1 1 18 PRO ARG 0.04 4373 1 1 1 1 18 PRO GLU 0.04 4373 1 1 1 1 18 PRO HIS 0.02 4373 1 1 1 1 18 PRO GLN 0.01 4373 1 1 1 1 18 PRO LYS 0.01 4373 1 1 1 1 96 TRP PRO 0.53 4373 1 1 1 1 96 TRP ILE 0.41 4373 1 1 1 1 96 TRP TRP 0.01 4373 1 1 1 1 96 TRP ARG 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4373 _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 4373 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 4373 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4373 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4373 _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_