data_AVS_bmrb_pdb_report_5929 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5929 _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 5929 1 1 1 1 28 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 5929 1 1 1 1 38 SER Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5929 1 1 1 1 122 TRP 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 5929 1 1 1 1 28 ARG C 172.3 . 176.49 2.16 5.2402e-02 5929 1 1 1 1 28 ARG CA 54.5 . 56.95 2.41 3.0935e-01 5929 1 1 1 1 28 ARG CB 28.4 . 30.66 1.77 2.0166e-01 5929 1 1 1 1 28 ARG CG 25.5 . 27.31 1.65 2.7265e-01 5929 1 1 1 1 28 ARG CD 41.1 . 43.1 1.1 6.9037e-02 5929 1 1 1 1 28 ARG H 7.76 . 8.24 0.6 4.2371e-01 5929 1 1 1 1 28 ARG HA 4.17 . 4.27 0.44 8.2021e-01 5929 1 1 1 1 28 ARG HB2 1.86 . 1.79 0.28 8.0259e-01 5929 1 1 1 1 28 ARG HB3 1.83 . 1.78 0.28 8.5827e-01 5929 1 1 1 1 28 ARG HG2 2.11 . 1.58 0.27 4.9651e-02 5929 1 1 1 1 28 ARG HG3 1.68 . 1.58 0.27 7.1111e-01 5929 1 1 1 1 28 ARG HD2 3.40 . 3.13 0.23 2.4043e-01 5929 1 1 1 1 28 ARG HD3 2.79 . 3.13 0.22 1.2224e-01 5929 1 1 1 1 28 ARG HE 9.18 S 7.32 0.52 3.4766e-04 5929 1 1 1 1 28 ARG HH11 5.89 . 6.74 0.31 6.1078e-03 5929 1 1 1 1 28 ARG HH12 5.89 . 6.75 0.32 7.1989e-03 5929 1 1 1 1 28 ARG HH21 9.21 M 6.72 0.32 7.1811e-15 5929 1 1 1 1 28 ARG HH22 9.21 M 6.72 0.33 4.5071e-14 5929 1 1 1 1 28 ARG N 121.3 . 120.61 3.9 8.5957e-01 5929 1 1 1 1 28 ARG NE 117.2 . 89.8 12.83 3.2710e-02 5929 1 1 1 1 28 ARG NH1 73.6 . 74.78 11.38 9.1742e-01 5929 1 1 1 1 28 ARG NH2 73.6 . 75.84 11.44 8.4476e-01 5929 1 1 1 1 38 SER C 165.0 M 174.53 1.73 3.6155e-08 5929 1 1 1 1 38 SER CA 53.0 . 58.57 2.12 8.6051e-03 5929 1 1 1 1 38 SER CB 61.1 . 63.8 1.57 8.5479e-02 5929 1 1 1 1 38 SER H 7.29 . 8.29 0.62 1.0677e-01 5929 1 1 1 1 38 SER HA 3.57 . 4.51 0.43 2.8812e-02 5929 1 1 1 1 38 SER HB2 3.19 . 3.88 0.29 1.7345e-02 5929 1 1 1 1 38 SER HB3 3.19 . 3.87 0.31 2.8268e-02 5929 1 1 1 1 38 SER N 115.6 . 116.3 3.95 8.5934e-01 5929 1 1 1 1 122 TRP C 171.2 . 176.1 1.89 9.5256e-03 5929 1 1 1 1 122 TRP CA 54.0 . 57.71 2.65 1.6151e-01 5929 1 1 1 1 122 TRP CB 31.4 . 30.16 2.19 5.7125e-01 5929 1 1 1 1 122 TRP CD1 125.1 . 126.16 1.76 5.4699e-01 5929 1 1 1 1 122 TRP CE3 117.9 . 120.38 1.5 9.8263e-02 5929 1 1 1 1 122 TRP CZ2 110.6 M 114.19 1.09 9.8921e-04 5929 1 1 1 1 122 TRP CZ3 115.7 M 121.57 1.76 8.5230e-04 5929 1 1 1 1 122 TRP CH2 118.6 M 123.75 1.34 1.2140e-04 5929 1 1 1 1 122 TRP H 9.18 . 8.35 0.84 3.2311e-01 5929 1 1 1 1 122 TRP HA 4.89 . 4.74 0.55 7.8506e-01 5929 1 1 1 1 122 TRP HB2 3.12 . 3.22 0.36 7.8118e-01 5929 1 1 1 1 122 TRP HB3 3.12 . 3.18 0.36 8.6763e-01 5929 1 1 1 1 122 TRP HD1 6.80 . 7.16 0.34 2.8968e-01 5929 1 1 1 1 122 TRP HE1 10.20 . 10.13 0.53 8.9492e-01 5929 1 1 1 1 122 TRP HE3 7.25 . 7.17 1.03 9.3809e-01 5929 1 1 1 1 122 TRP HZ2 6.51 . 7.14 0.89 4.7903e-01 5929 1 1 1 1 122 TRP HZ3 5.79 . 6.68 1.02 3.8291e-01 5929 1 1 1 1 122 TRP HH2 6.33 . 6.82 0.94 6.0217e-01 5929 1 1 1 1 122 TRP N 129.3 . 121.87 4.58 1.0475e-01 5929 1 1 1 1 122 TRP NE1 128.7 . 129.48 2.56 7.6060e-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 5929 1 1 1 1 28 ARG LYS 0.5 5929 1 1 1 1 28 ARG LEU 0.4 5929 1 1 1 1 28 ARG ARG 0.08 5929 1 1 1 1 38 SER PRO 0.64 5929 1 1 1 1 38 SER SER 0.35 5929 1 1 1 1 122 TRP TRP 0.99 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5929 _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 5929 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 5929 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5929 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5929 _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_