data_AVS_bmrb_pdb_report_10063 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10063 _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 10063 1 1 1 1 44 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10063 1 1 1 1 59 PHE 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 10063 1 1 1 1 44 GLN C 176.517 . 176.39 1.96 9.4834e-01 10063 1 1 1 1 44 GLN CA 52.758 . 56.62 2.19 7.7821e-02 10063 1 1 1 1 44 GLN CB 30.034 . 29.1 1.97 6.3542e-01 10063 1 1 1 1 44 GLN CG 33.698 . 33.72 1.1 9.8404e-01 10063 1 1 1 1 44 GLN H 8.658 . 8.22 0.62 4.7991e-01 10063 1 1 1 1 44 GLN HA 4.427 . 4.28 0.44 7.3831e-01 10063 1 1 1 1 44 GLN HB2 1.306 . 2.05 0.28 7.8806e-03 10063 1 1 1 1 44 GLN HB3 -0.942 M 2.04 0.29 8.4280e-25 10063 1 1 1 1 44 GLN HG2 1.377 . 2.32 0.29 1.1471e-03 10063 1 1 1 1 44 GLN HG3 0.659 S 2.32 0.29 1.0187e-08 10063 1 1 1 1 44 GLN HE21 6.691 . 7.17 0.46 2.9773e-01 10063 1 1 1 1 44 GLN HE22 6.606 . 7.07 0.49 3.4367e-01 10063 1 1 1 1 44 GLN N 120.811 . 119.92 4.01 8.2416e-01 10063 1 1 1 1 44 GLN NE2 108.632 . 111.81 2.2 1.4859e-01 10063 1 1 1 1 59 PHE C 170.726 . 175.49 2.13 2.5311e-02 10063 1 1 1 1 59 PHE CA 55.607 . 58.25 2.73 3.3298e-01 10063 1 1 1 1 59 PHE CB 38.420 . 39.95 2.04 4.5325e-01 10063 1 1 1 1 59 PHE CD1 134.183 M 131.38 1.38 4.2239e-02 10063 1 1 1 1 59 PHE CD2 134.183 . 131.33 1.48 5.3892e-02 10063 1 1 1 1 59 PHE CE1 129.838 . 130.48 1.29 6.1871e-01 10063 1 1 1 1 59 PHE CE2 129.838 . 130.6 0.97 4.3212e-01 10063 1 1 1 1 59 PHE CZ 127.772 . 129.11 1.68 4.2578e-01 10063 1 1 1 1 59 PHE H 9.232 . 8.42 0.74 2.7251e-01 10063 1 1 1 1 59 PHE HA 4.948 . 4.62 0.58 5.7172e-01 10063 1 1 1 1 59 PHE HB2 3.343 . 2.99 0.37 3.4006e-01 10063 1 1 1 1 59 PHE HB3 2.508 . 2.97 0.38 2.2406e-01 10063 1 1 1 1 59 PHE HD1 6.880 . 6.91 0.82 9.7082e-01 10063 1 1 1 1 59 PHE HD2 6.880 . 6.89 0.86 9.9072e-01 10063 1 1 1 1 59 PHE HE1 6.850 . 6.95 0.82 9.0294e-01 10063 1 1 1 1 59 PHE HE2 6.850 . 6.94 0.86 9.1665e-01 10063 1 1 1 1 59 PHE HZ 7.023 . 6.92 0.8 8.9756e-01 10063 1 1 1 1 59 PHE N 117.209 . 120.69 4.18 4.0497e-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 10063 1 1 1 1 44 GLN GLN 0.49 10063 1 1 1 1 44 GLN LYS 0.33 10063 1 1 1 1 44 GLN GLU 0.11 10063 1 1 1 1 44 GLN ARG 0.04 10063 1 1 1 1 59 PHE PHE 0.94 10063 1 1 1 1 59 PHE TYR 0.05 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10063 _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 10063 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 10063 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 10063 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10063 _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_