data_AVS_bmrb_pdb_report_7116 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7116 _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 7116 1 1 1 1 31 GLN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 7116 1 1 1 1 59 GLN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 7116 1 1 1 1 92 ASN 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 7116 1 1 1 1 31 GLN C 173.54 . 176.39 1.96 1.4592e-01 7116 1 1 1 1 31 GLN CA 58.03 . 56.62 2.19 5.1968e-01 7116 1 1 1 1 31 GLN CB 27.94 . 29.1 1.97 5.5597e-01 7116 1 1 1 1 31 GLN CG 33.33 . 33.72 1.1 7.2293e-01 7116 1 1 1 1 31 GLN CD 181.37 M 179.68 1.17 1.4861e-01 7116 1 1 1 1 31 GLN H 8.60 . 8.22 0.62 5.3994e-01 7116 1 1 1 1 31 GLN HA 3.75 . 4.28 0.44 2.2838e-01 7116 1 1 1 1 31 GLN HB2 2.04 . 2.05 0.28 9.7151e-01 7116 1 1 1 1 31 GLN HB3 1.96 . 2.04 0.29 7.8265e-01 7116 1 1 1 1 31 GLN HG2 2.37 . 2.32 0.29 8.6311e-01 7116 1 1 1 1 31 GLN HG3 2.32 . 2.32 0.29 1.0000e+00 7116 1 1 1 1 31 GLN HE21 7.49 . 7.17 0.46 4.8665e-01 7116 1 1 1 1 31 GLN HE22 6.93 . 7.07 0.49 7.7510e-01 7116 1 1 1 1 31 GLN N 121.07 . 119.92 4.01 7.7428e-01 7116 1 1 1 1 31 GLN NE2 110.19 . 111.81 2.2 4.6151e-01 7116 1 1 1 1 59 GLN C 174.93 . 176.39 1.96 4.5633e-01 7116 1 1 1 1 59 GLN CA 56.50 . 56.62 2.19 9.5630e-01 7116 1 1 1 1 59 GLN CB 27.19 . 29.1 1.97 3.3227e-01 7116 1 1 1 1 59 GLN CG 34.42 . 33.72 1.1 5.2454e-01 7116 1 1 1 1 59 GLN CD 183.00 M 179.68 1.17 4.5453e-03 7116 1 1 1 1 59 GLN H 9.26 . 8.22 0.62 9.3461e-02 7116 1 1 1 1 59 GLN HA 3.92 . 4.28 0.44 4.1325e-01 7116 1 1 1 1 59 GLN HB2 2.10 . 2.05 0.28 8.5827e-01 7116 1 1 1 1 59 GLN HB3 2.34 . 2.04 0.29 3.0091e-01 7116 1 1 1 1 59 GLN HG2 2.40 . 2.32 0.29 7.8265e-01 7116 1 1 1 1 59 GLN HG3 2.40 . 2.32 0.29 7.8265e-01 7116 1 1 1 1 59 GLN HE21 7.55 . 7.17 0.46 4.0876e-01 7116 1 1 1 1 59 GLN HE22 6.86 . 7.07 0.49 6.6823e-01 7116 1 1 1 1 59 GLN N 119.35 . 119.92 4.01 8.8697e-01 7116 1 1 1 1 59 GLN NE2 112.24 . 111.81 2.2 8.4504e-01 7116 1 1 1 1 92 ASN CA 52.80 . 53.43 1.94 7.4538e-01 7116 1 1 1 1 92 ASN CB 39.38 . 38.66 1.78 6.8585e-01 7116 1 1 1 1 92 ASN CG 179.77 M 176.61 1.33 1.7504e-02 7116 1 1 1 1 92 ASN H 8.38 . 8.37 0.65 9.8773e-01 7116 1 1 1 1 92 ASN HA 4.60 . 4.7 0.39 7.9763e-01 7116 1 1 1 1 92 ASN HB2 2.94 . 2.8 0.34 6.8051e-01 7116 1 1 1 1 92 ASN HB3 2.94 . 2.78 0.34 6.3793e-01 7116 1 1 1 1 92 ASN HD21 7.64 . 7.27 0.52 4.7675e-01 7116 1 1 1 1 92 ASN HD22 6.94 . 7.2 0.52 6.1707e-01 7116 1 1 1 1 92 ASN N 121.08 . 119.13 4.42 6.5909e-01 7116 1 1 1 1 92 ASN ND2 112.49 . 112.83 2.6 8.9596e-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 7116 1 1 1 1 31 GLN GLN 0.63 7116 1 1 1 1 31 GLN GLU 0.36 7116 1 1 1 1 59 GLN GLU 0.88 7116 1 1 1 1 59 GLN GLN 0.11 7116 1 1 1 1 92 ASN ASP 0.82 7116 1 1 1 1 92 ASN ASN 0.15 7116 1 1 1 1 92 ASN GLU 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7116 _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 7116 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 7116 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 7116 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7116 _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_