data_AVS_bmrb_pdb_report_15173 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15173 _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 15173 1 1 1 1 43 ALA Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15173 1 1 1 1 44 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "H > HA" 0.9994 15173 1 1 1 1 51 GLN Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HG2" 1.0000 15173 1 1 1 1 51 GLN . . . . . . "HA > HG3" 0.9995 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 15173 1 1 1 1 43 ALA C 174.296 . 177.8 2.18 1.0798e-01 15173 1 1 1 1 43 ALA CA 52.605 . 53.16 2.06 7.8761e-01 15173 1 1 1 1 43 ALA CB 19.640 . 18.9 1.85 6.8916e-01 15173 1 1 1 1 43 ALA H 6.989 . 8.2 0.6 4.3557e-02 15173 1 1 1 1 43 ALA HA 1.242 M 4.26 0.42 6.6857e-13 15173 1 1 1 1 43 ALA HB 0.003 S 1.38 0.25 3.6293e-08 15173 1 1 1 1 43 ALA N 126.156 . 123.23 3.7 4.2905e-01 15173 1 1 1 1 44 ARG C 173.888 . 176.49 2.16 2.2835e-01 15173 1 1 1 1 44 ARG CA 52.023 . 56.95 2.41 4.0914e-02 15173 1 1 1 1 44 ARG CB 32.059 . 30.66 1.77 4.2930e-01 15173 1 1 1 1 44 ARG CG 26.383 . 27.31 1.65 5.7424e-01 15173 1 1 1 1 44 ARG CD 43.009 . 43.1 1.1 9.3407e-01 15173 1 1 1 1 44 ARG H 4.148 M 8.24 0.6 9.1041e-12 15173 1 1 1 1 44 ARG HA 4.730 . 4.27 0.44 2.9581e-01 15173 1 1 1 1 44 ARG HB2 1.293 . 1.79 0.28 7.5898e-02 15173 1 1 1 1 44 ARG HB3 1.468 . 1.78 0.28 2.6516e-01 15173 1 1 1 1 44 ARG HG2 1.478 . 1.58 0.27 7.0560e-01 15173 1 1 1 1 44 ARG HD2 2.800 . 3.13 0.23 1.5135e-01 15173 1 1 1 1 44 ARG HD3 2.851 . 3.13 0.22 2.0473e-01 15173 1 1 1 1 44 ARG HE 6.731 . 7.32 0.52 2.5734e-01 15173 1 1 1 1 44 ARG N 117.486 . 120.61 3.9 4.2312e-01 15173 1 1 1 1 44 ARG NE 85.296 . 89.8 12.83 7.2555e-01 15173 1 1 1 1 51 GLN C 179.156 . 176.39 1.96 1.5818e-01 15173 1 1 1 1 51 GLN CA 58.599 . 56.62 2.19 3.6618e-01 15173 1 1 1 1 51 GLN CB 27.651 . 29.1 1.97 4.6202e-01 15173 1 1 1 1 51 GLN CG 32.305 . 33.72 1.1 1.9832e-01 15173 1 1 1 1 51 GLN H 7.431 . 8.22 0.62 2.0317e-01 15173 1 1 1 1 51 GLN HA 1.885 M 4.28 0.44 5.2337e-08 15173 1 1 1 1 51 GLN HB2 1.083 S 2.05 0.28 5.5322e-04 15173 1 1 1 1 51 GLN HB3 1.277 . 2.04 0.29 8.5125e-03 15173 1 1 1 1 51 GLN HG2 2.076 . 2.32 0.29 4.0014e-01 15173 1 1 1 1 51 GLN HG3 2.198 . 2.32 0.29 6.7398e-01 15173 1 1 1 1 51 GLN HE21 7.238 . 7.17 0.46 8.8248e-01 15173 1 1 1 1 51 GLN HE22 8.172 . 7.07 0.49 2.4514e-02 15173 1 1 1 1 51 GLN N 117.797 . 119.92 4.01 5.9651e-01 15173 1 1 1 1 51 GLN NE2 112.436 . 111.81 2.2 7.7599e-01 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 15173 1 1 1 1 43 ALA ALA 0.94 15173 1 1 1 1 43 ALA CYS 0.03 15173 1 1 1 1 43 ALA LEU 0.01 15173 1 1 1 1 44 ARG ARG 0.36 15173 1 1 1 1 44 ARG CYS 0.35 15173 1 1 1 1 44 ARG LYS 0.14 15173 1 1 1 1 44 ARG GLY 0.13 15173 1 1 1 1 51 GLN CYS 0.32 15173 1 1 1 1 51 GLN LYS 0.25 15173 1 1 1 1 51 GLN ARG 0.25 15173 1 1 1 1 51 GLN GLN 0.13 15173 1 1 1 1 51 GLN GLU 0.01 15173 1 1 1 1 51 GLN PRO 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15173 _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 15173 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 15173 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15173 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15173 _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_