data_AVS_bmrb_pdb_report_7113 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7113 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 7 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 7113 1 1 1 1 21 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 7113 1 1 1 1 24 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 7113 1 1 1 1 44 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 7113 1 1 1 1 84 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 7113 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 7 ARG C 175.065 . 176.41 2.03 5.0761e-01 7113 1 1 1 1 7 ARG CA 54.552 . 56.77 2.31 3.3697e-01 7113 1 1 1 1 7 ARG CB 33.587 . 30.7 1.83 1.1466e-01 7113 1 1 1 1 7 ARG CG 27.148 . 27.21 1.2 9.5879e-01 7113 1 1 1 1 7 ARG CD 43.562 . 43.16 0.88 6.4780e-01 7113 1 1 1 1 7 ARG H 7.588 . 8.24 0.61 2.8514e-01 7113 1 1 1 1 7 ARG HA 4.078 . 4.3 0.46 6.2937e-01 7113 1 1 1 1 7 ARG HB2 1.406 . 1.79 0.27 1.5496e-01 7113 1 1 1 1 7 ARG HB3 1.356 . 1.76 0.28 1.4906e-01 7113 1 1 1 1 7 ARG HG2 1.288 . 1.57 0.27 2.9628e-01 7113 1 1 1 1 7 ARG HG3 1.197 . 1.54 0.29 2.3690e-01 7113 1 1 1 1 7 ARG HD2 2.923 . 3.12 0.24 4.1174e-01 7113 1 1 1 1 7 ARG HD3 2.923 . 3.1 0.26 4.9602e-01 7113 1 1 1 1 7 ARG HE 6.953 . 7.4 0.63 4.7800e-01 7113 1 1 1 1 7 ARG N 124.900 . 120.8 3.68 2.6522e-01 7113 1 1 1 1 7 ARG NE 122.221 A 84.63 1.68 0.0000e+00 7113 1 1 1 1 21 ARG C 174.091 . 176.41 2.03 2.5330e-01 7113 1 1 1 1 21 ARG CA 55.263 . 56.77 2.31 5.1416e-01 7113 1 1 1 1 21 ARG CB 31.467 . 30.7 1.83 6.7512e-01 7113 1 1 1 1 21 ARG CG 27.891 . 27.21 1.2 5.7037e-01 7113 1 1 1 1 21 ARG CD 43.022 . 43.16 0.88 8.7539e-01 7113 1 1 1 1 21 ARG H 7.192 . 8.24 0.61 8.5791e-02 7113 1 1 1 1 21 ARG HA 4.377 . 4.3 0.46 8.6706e-01 7113 1 1 1 1 21 ARG HB2 1.749 . 1.79 0.27 8.7930e-01 7113 1 1 1 1 21 ARG HB3 1.916 . 1.76 0.28 5.7743e-01 7113 1 1 1 1 21 ARG HG2 1.604 . 1.57 0.27 8.9979e-01 7113 1 1 1 1 21 ARG HG3 1.446 . 1.54 0.29 7.4583e-01 7113 1 1 1 1 21 ARG HD2 3.100 . 3.12 0.24 9.3359e-01 7113 1 1 1 1 21 ARG HD3 3.100 . 3.1 0.26 1.0000e+00 7113 1 1 1 1 21 ARG HE 7.286 . 7.4 0.63 8.5641e-01 7113 1 1 1 1 21 ARG N 126.182 . 120.8 3.68 1.4360e-01 7113 1 1 1 1 21 ARG NE 122.286 A 84.63 1.68 0.0000e+00 7113 1 1 1 1 24 ARG CA 53.910 . 56.77 2.31 2.1568e-01 7113 1 1 1 1 24 ARG CB 35.114 . 30.7 1.83 1.5864e-02 7113 1 1 1 1 24 ARG CG 25.191 . 27.21 1.2 9.2472e-02 7113 1 1 1 1 24 ARG CD 44.858 . 43.16 0.88 5.3663e-02 7113 1 1 1 1 24 ARG H 8.160 . 8.24 0.61 8.9566e-01 7113 1 1 1 1 24 ARG HA 5.167 . 4.3 0.46 5.9459e-02 7113 1 1 1 1 24 ARG HB2 1.550 . 1.79 0.27 3.7406e-01 7113 1 1 1 1 24 ARG HB3 1.313 . 1.76 0.28 1.1039e-01 7113 1 1 1 1 24 ARG HG2 1.451 . 1.57 0.27 6.5940e-01 7113 1 1 1 1 24 ARG HG3 1.264 . 1.54 0.29 3.4124e-01 7113 1 1 1 1 24 ARG HD2 3.249 . 3.12 0.24 5.9092e-01 7113 1 1 1 1 24 ARG HD3 2.924 . 3.1 0.26 4.9845e-01 7113 1 1 1 1 24 ARG HE 8.713 . 7.4 0.63 3.7149e-02 7113 1 1 1 1 24 ARG NE 124.275 A 84.63 1.68 0.0000e+00 7113 1 1 1 1 44 ARG C 175.799 . 176.41 2.03 7.6343e-01 7113 1 1 1 1 44 ARG CA 54.658 . 56.77 2.31 3.6057e-01 7113 1 1 1 1 44 ARG CB 32.436 . 30.7 1.83 3.4281e-01 7113 1 1 1 1 44 ARG CG 27.268 . 27.21 1.2 9.6145e-01 7113 1 1 1 1 44 ARG CD 43.525 . 43.16 0.88 6.7831e-01 7113 1 1 1 1 44 ARG H 7.902 . 8.24 0.61 5.7951e-01 7113 1 1 1 1 44 ARG HA 4.697 . 4.3 0.46 3.8811e-01 7113 1 1 1 1 44 ARG HB2 1.770 . 1.79 0.27 9.4095e-01 7113 1 1 1 1 44 ARG HB3 1.727 . 1.76 0.28 9.0618e-01 7113 1 1 1 1 44 ARG HG2 1.518 . 1.57 0.27 8.4728e-01 7113 1 1 1 1 44 ARG HG3 1.518 . 1.54 0.29 9.3953e-01 7113 1 1 1 1 44 ARG HD2 3.075 . 3.12 0.24 8.5127e-01 7113 1 1 1 1 44 ARG HD3 3.075 . 3.1 0.26 9.2340e-01 7113 1 1 1 1 44 ARG HE 7.068 . 7.4 0.63 5.9820e-01 7113 1 1 1 1 44 ARG N 127.837 . 120.8 3.68 5.5847e-02 7113 1 1 1 1 44 ARG NE 122.109 A 84.63 1.68 0.0000e+00 7113 1 1 1 1 84 ARG C 175.820 . 176.41 2.03 7.7133e-01 7113 1 1 1 1 84 ARG CA 58.250 . 56.77 2.31 5.2172e-01 7113 1 1 1 1 84 ARG CB 29.985 . 30.7 1.83 6.9601e-01 7113 1 1 1 1 84 ARG CG 26.611 . 27.21 1.2 6.1766e-01 7113 1 1 1 1 84 ARG CD 43.510 . 43.16 0.88 6.9083e-01 7113 1 1 1 1 84 ARG H 8.203 . 8.24 0.61 9.5163e-01 7113 1 1 1 1 84 ARG HA 3.917 . 4.3 0.46 4.0507e-01 7113 1 1 1 1 84 ARG HB2 1.670 . 1.79 0.27 6.5672e-01 7113 1 1 1 1 84 ARG HB3 1.598 . 1.76 0.28 5.6288e-01 7113 1 1 1 1 84 ARG HG2 1.404 . 1.57 0.27 5.3868e-01 7113 1 1 1 1 84 ARG HG3 1.404 . 1.54 0.29 6.3909e-01 7113 1 1 1 1 84 ARG HD2 3.003 . 3.12 0.24 6.2590e-01 7113 1 1 1 1 84 ARG HD3 3.003 . 3.1 0.26 7.0909e-01 7113 1 1 1 1 84 ARG HE 7.194 . 7.4 0.63 7.4368e-01 7113 1 1 1 1 84 ARG N 121.021 . 120.8 3.68 9.5211e-01 7113 1 1 1 1 84 ARG NE 122.485 A 84.63 1.68 0.0000e+00 7113 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 7 ARG CYS 0.41 7113 1 1 1 1 7 ARG ARG 0.36 7113 1 1 1 1 7 ARG GLY 0.14 7113 1 1 1 1 7 ARG LYS 0.06 7113 1 1 1 1 21 ARG ARG 0.44 7113 1 1 1 1 21 ARG CYS 0.31 7113 1 1 1 1 21 ARG LYS 0.19 7113 1 1 1 1 21 ARG GLY 0.04 7113 1 1 1 1 24 ARG GLY 0.64 7113 1 1 1 1 24 ARG CYS 0.34 7113 1 1 1 1 44 ARG ARG 0.47 7113 1 1 1 1 44 ARG CYS 0.34 7113 1 1 1 1 44 ARG GLY 0.1 7113 1 1 1 1 44 ARG LYS 0.06 7113 1 1 1 1 84 ARG CYS 0.42 7113 1 1 1 1 84 ARG ARG 0.42 7113 1 1 1 1 84 ARG GLY 0.07 7113 1 1 1 1 84 ARG LYS 0.05 7113 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7113 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _Software.Details ; Original version modified by BMRB to export results in a BMRB STAR format. Changed status "Misassigned" to "Anomalous" ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu 7113 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 7113 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 7113 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7113 _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_