data_AVS_bmrb_pdb_report_15444 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15444 _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 15444 1 1 1 1 9 SER Anomalous Consistent Suspicious Anomalous Consistent Consistent "H > HA" 0.9996 15444 1 1 1 1 36 GLY 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 15444 1 1 1 1 9 SER C 176.483 . 174.53 1.73 2.5894e-01 15444 1 1 1 1 9 SER CB 63.588 . 63.8 1.57 8.9259e-01 15444 1 1 1 1 9 SER H 8.366 . 8.29 0.62 9.0244e-01 15444 1 1 1 1 9 SER HA 58.739 M 4.51 0.43 0.0000e+00 15444 1 1 1 1 9 SER N 117.295 . 116.3 3.95 8.0112e-01 15444 1 1 1 1 36 GLY C 173.344 . 174.04 1.94 7.1977e-01 15444 1 1 1 1 36 GLY CA 41.113 . 45.33 1.42 2.9807e-03 15444 1 1 1 1 36 GLY H 8.302 . 8.34 0.74 9.5905e-01 15444 1 1 1 1 36 GLY HA2 2.055 S 3.95 0.4 2.1637e-06 15444 1 1 1 1 36 GLY HA3 1.166 M 3.93 0.4 4.8465e-12 15444 1 1 1 1 36 GLY N 111.506 . 109.91 4.29 7.0987e-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 15444 1 1 1 1 9 SER SER 0.24 15444 1 1 1 1 9 SER PRO 0.23 15444 1 1 1 1 9 SER VAL 0.19 15444 1 1 1 1 9 SER THR 0.16 15444 1 1 1 1 9 SER ILE 0.12 15444 1 1 1 1 9 SER PHE 0.01 15444 1 1 1 1 36 GLY ASP 0.25 15444 1 1 1 1 36 GLY PHE 0.17 15444 1 1 1 1 36 GLY LEU 0.15 15444 1 1 1 1 36 GLY LYS 0.15 15444 1 1 1 1 36 GLY TYR 0.11 15444 1 1 1 1 36 GLY ILE 0.07 15444 1 1 1 1 36 GLY ASN 0.05 15444 1 1 1 1 36 GLY ARG 0.02 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15444 _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 15444 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 15444 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15444 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15444 _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_