data_AVS_bmrb_pdb_report_15475 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15475 _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 15475 1 1 1 1 21 ARG Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15475 1 1 1 1 58 GLN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15475 1 1 1 1 59 GLN Anomalous Consistent Consistent Consistent Anomalous 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 15475 1 1 1 1 21 ARG C 178.7 . 176.49 2.16 3.0624e-01 15475 1 1 1 1 21 ARG CA 59.2 . 56.95 2.41 3.5051e-01 15475 1 1 1 1 21 ARG CB 29.9 . 30.66 1.77 6.6765e-01 15475 1 1 1 1 21 ARG CG 29.2 . 27.31 1.65 2.5202e-01 15475 1 1 1 1 21 ARG CD 43.7 . 43.1 1.1 5.8544e-01 15475 1 1 1 1 21 ARG CZ 160.8 M 159.01 0.87 3.9641e-02 15475 1 1 1 1 21 ARG H 7.41 . 8.24 0.6 1.6656e-01 15475 1 1 1 1 21 ARG HA 3.28 . 4.27 0.44 2.4449e-02 15475 1 1 1 1 21 ARG HB3 1.49 . 1.78 0.28 3.0034e-01 15475 1 1 1 1 21 ARG HG2 1.04 . 1.58 0.27 4.5500e-02 15475 1 1 1 1 21 ARG HG3 1.47 . 1.58 0.27 6.8371e-01 15475 1 1 1 1 21 ARG HD2 3.09 . 3.13 0.23 8.6193e-01 15475 1 1 1 1 21 ARG HE 7.49 . 7.32 0.52 7.4373e-01 15475 1 1 1 1 21 ARG N 116.0 . 120.61 3.9 2.3719e-01 15475 1 1 1 1 21 ARG NE 82.3 . 89.8 12.83 5.5884e-01 15475 1 1 1 1 58 GLN C 176.4 . 176.39 1.96 9.9593e-01 15475 1 1 1 1 58 GLN CA 54.5 . 56.62 2.19 3.3303e-01 15475 1 1 1 1 58 GLN CB 31.6 . 29.1 1.97 2.0443e-01 15475 1 1 1 1 58 GLN CG 34.3 . 33.72 1.1 5.9800e-01 15475 1 1 1 1 58 GLN CD 182.1 M 179.68 1.17 3.8605e-02 15475 1 1 1 1 58 GLN H 7.59 . 8.22 0.62 3.0957e-01 15475 1 1 1 1 58 GLN HA 4.31 . 4.28 0.44 9.4564e-01 15475 1 1 1 1 58 GLN HB2 1.65 . 2.05 0.28 1.5313e-01 15475 1 1 1 1 58 GLN HB3 1.54 . 2.04 0.29 8.4683e-02 15475 1 1 1 1 58 GLN HG2 1.95 . 2.32 0.29 2.0200e-01 15475 1 1 1 1 58 GLN HE21 7.45 . 7.17 0.46 5.4273e-01 15475 1 1 1 1 58 GLN HE22 6.69 . 7.07 0.49 4.3804e-01 15475 1 1 1 1 58 GLN N 112.1 . 119.92 4.01 5.1161e-02 15475 1 1 1 1 58 GLN NE2 111.6 . 111.81 2.2 9.2395e-01 15475 1 1 1 1 59 GLN C 178.1 . 176.39 1.96 3.8296e-01 15475 1 1 1 1 59 GLN CA 56.3 . 56.62 2.19 8.8383e-01 15475 1 1 1 1 59 GLN CB 29.6 . 29.1 1.97 7.9964e-01 15475 1 1 1 1 59 GLN CG 34.3 . 33.72 1.1 5.9800e-01 15475 1 1 1 1 59 GLN CD 181.5 M 179.68 1.17 1.1981e-01 15475 1 1 1 1 59 GLN H 8.25 . 8.22 0.62 9.6141e-01 15475 1 1 1 1 59 GLN HA 4.33 . 4.28 0.44 9.0953e-01 15475 1 1 1 1 59 GLN HB2 1.91 . 2.05 0.28 6.1707e-01 15475 1 1 1 1 59 GLN HB3 1.74 . 2.04 0.29 3.0091e-01 15475 1 1 1 1 59 GLN HG2 2.16 . 2.32 0.29 5.8114e-01 15475 1 1 1 1 59 GLN HG3 2.10 . 2.32 0.29 4.4808e-01 15475 1 1 1 1 59 GLN HE21 6.68 . 7.17 0.46 2.8678e-01 15475 1 1 1 1 59 GLN HE22 7.17 . 7.07 0.49 8.3829e-01 15475 1 1 1 1 59 GLN N 118.6 . 119.92 4.01 7.4202e-01 15475 1 1 1 1 59 GLN NE2 109.7 . 111.81 2.2 3.3751e-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 15475 1 1 1 1 21 ARG GLY 0.52 15475 1 1 1 1 21 ARG ARG 0.47 15475 1 1 1 1 58 GLN GLU 0.77 15475 1 1 1 1 58 GLN GLN 0.22 15475 1 1 1 1 59 GLN GLU 0.57 15475 1 1 1 1 59 GLN GLN 0.42 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15475 _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 15475 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 15475 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15475 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15475 _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_