data_AVS_bmrb_pdb_report_7265 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7265 _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 7265 1 1 1 1 80 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 7265 1 1 1 1 122 TRP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 7265 1 1 1 1 205 HIS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 7265 1 1 1 1 273 TRP Anomalous Consistent Consistent Consistent Consistent Anomalous . . 7265 1 1 1 1 281 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 7265 1 1 1 1 80 HIS CA 51.783 . 56.37 2.4 5.5973e-02 7265 1 1 1 1 80 HIS CB 32.425 . 29.95 2.15 2.4967e-01 7265 1 1 1 1 80 HIS CD2 120.1 . 119.84 3.3 9.3720e-01 7265 1 1 1 1 80 HIS CE1 138.6 . 136.05 3.58 4.7629e-01 7265 1 1 1 1 80 HIS H 8.012 . 8.25 0.74 7.4774e-01 7265 1 1 1 1 80 HIS HD1 13.8 . 10.14 3.5 2.9569e-01 7265 1 1 1 1 80 HIS HD2 6.83 . 7.08 0.5 6.1707e-01 7265 1 1 1 1 80 HIS HE1 6.64 . 8.08 0.57 1.1527e-02 7265 1 1 1 1 80 HIS N 129.096 . 119.44 4.52 3.2656e-02 7265 1 1 1 1 80 HIS ND1 172.1 . 190.74 22.84 4.1444e-01 7265 1 1 1 1 80 HIS NE2 246.9 M 179.81 13.86 1.2948e-06 7265 1 1 1 1 122 TRP CA 55.579 . 57.71 2.65 4.2131e-01 7265 1 1 1 1 122 TRP CB 34.921 . 30.16 2.19 2.9707e-02 7265 1 1 1 1 122 TRP H 8.944 . 8.35 0.84 4.7948e-01 7265 1 1 1 1 122 TRP HE1 12.14 M 10.13 0.53 1.4917e-04 7265 1 1 1 1 122 TRP N 121.597 . 121.87 4.58 9.5247e-01 7265 1 1 1 1 122 TRP NE1 134.83 . 129.48 2.56 3.6632e-02 7265 1 1 1 1 205 HIS CA 54.538 . 56.37 2.4 4.4526e-01 7265 1 1 1 1 205 HIS CB 27.251 . 29.95 2.15 2.0935e-01 7265 1 1 1 1 205 HIS CD2 119.5 . 119.84 3.3 9.1794e-01 7265 1 1 1 1 205 HIS CE1 136.4 . 136.05 3.58 9.2212e-01 7265 1 1 1 1 205 HIS H 8.305 . 8.25 0.74 9.4075e-01 7265 1 1 1 1 205 HIS HD1 17.64 M 10.14 3.5 3.2125e-02 7265 1 1 1 1 205 HIS HD2 7.23 . 7.08 0.5 7.6418e-01 7265 1 1 1 1 205 HIS HE1 7.75 . 8.08 0.57 5.6262e-01 7265 1 1 1 1 205 HIS HE2 10.22 . 10.43 3.11 9.4616e-01 7265 1 1 1 1 205 HIS N 118.088 . 119.44 4.52 7.6485e-01 7265 1 1 1 1 205 HIS ND1 188 . 190.74 22.84 9.0451e-01 7265 1 1 1 1 205 HIS NE2 164.3 . 179.81 13.86 2.6312e-01 7265 1 1 1 1 273 TRP CA 55.71 . 57.71 2.65 4.5042e-01 7265 1 1 1 1 273 TRP CB 27.154 . 30.16 2.19 1.6988e-01 7265 1 1 1 1 273 TRP H 9.053 . 8.35 0.84 4.0265e-01 7265 1 1 1 1 273 TRP HE1 10.2 . 10.13 0.53 8.9492e-01 7265 1 1 1 1 273 TRP N 129.73 . 121.87 4.58 8.6133e-02 7265 1 1 1 1 273 TRP NE1 147.43 M 129.48 2.56 2.3541e-12 7265 1 1 1 1 281 TRP CA 58.45 . 57.71 2.65 7.8006e-01 7265 1 1 1 1 281 TRP CB 28.101 . 30.16 2.19 3.4712e-01 7265 1 1 1 1 281 TRP H 8.296 . 8.35 0.84 9.4874e-01 7265 1 1 1 1 281 TRP HE1 12.15 M 10.13 0.53 1.3823e-04 7265 1 1 1 1 281 TRP N 128.455 . 121.87 4.58 1.5050e-01 7265 1 1 1 1 281 TRP NE1 135.13 . 129.48 2.56 2.7312e-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 7265 1 1 1 1 80 HIS CYS 0.36 7265 1 1 1 1 80 HIS HIS 0.36 7265 1 1 1 1 80 HIS TRP 0.26 7265 1 1 1 1 122 TRP CYS 0.24 7265 1 1 1 1 122 TRP MET 0.18 7265 1 1 1 1 122 TRP GLU 0.15 7265 1 1 1 1 122 TRP GLN 0.14 7265 1 1 1 1 122 TRP LYS 0.13 7265 1 1 1 1 122 TRP TYR 0.03 7265 1 1 1 1 122 TRP TRP 0.01 7265 1 1 1 1 122 TRP HIS 0.01 7265 1 1 1 1 122 TRP ASN 0.01 7265 1 1 1 1 122 TRP ARG 0.01 7265 1 1 1 1 122 TRP VAL 0.01 7265 1 1 1 1 205 HIS HIS 0.44 7265 1 1 1 1 205 HIS TRP 0.28 7265 1 1 1 1 205 HIS CYS 0.26 7265 1 1 1 1 273 TRP LEU 0.21 7265 1 1 1 1 273 TRP ARG 0.19 7265 1 1 1 1 273 TRP GLN 0.12 7265 1 1 1 1 273 TRP CYS 0.11 7265 1 1 1 1 273 TRP LYS 0.1 7265 1 1 1 1 273 TRP HIS 0.09 7265 1 1 1 1 273 TRP TRP 0.06 7265 1 1 1 1 273 TRP GLU 0.04 7265 1 1 1 1 273 TRP ILE 0.02 7265 1 1 1 1 281 TRP ARG 0.14 7265 1 1 1 1 281 TRP LYS 0.13 7265 1 1 1 1 281 TRP CYS 0.12 7265 1 1 1 1 281 TRP GLN 0.12 7265 1 1 1 1 281 TRP TRP 0.12 7265 1 1 1 1 281 TRP ILE 0.1 7265 1 1 1 1 281 TRP GLU 0.09 7265 1 1 1 1 281 TRP HIS 0.09 7265 1 1 1 1 281 TRP LEU 0.04 7265 1 1 1 1 281 TRP MET 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7265 _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 7265 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 7265 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 7265 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7265 _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_