data_AVS_bmrb_pdb_report_7421 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7421 _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 7421 1 1 1 1 6 ARG Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 7421 1 1 1 1 10 PHE Anomalous Consistent Consistent Consistent Consistent Anomalous . . 7421 1 1 1 1 23 ARG Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 7421 1 1 1 1 60 ARG Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 7421 1 1 1 1 63 ARG Anomalous Suspicious 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 7421 1 1 1 1 6 ARG C 175.416 . 176.49 2.16 6.1903e-01 7421 1 1 1 1 6 ARG CA 56.477 . 56.95 2.41 8.4440e-01 7421 1 1 1 1 6 ARG CB 30.568 . 30.66 1.77 9.5855e-01 7421 1 1 1 1 6 ARG CG 27.251 . 27.31 1.65 9.7148e-01 7421 1 1 1 1 6 ARG CD 43.234 . 43.1 1.1 9.0304e-01 7421 1 1 1 1 6 ARG CZ 170.994 M 159.01 0.87 3.6182e-43 7421 1 1 1 1 6 ARG H 8.293 . 8.24 0.6 9.2961e-01 7421 1 1 1 1 6 ARG HA 4.196 . 4.27 0.44 8.6644e-01 7421 1 1 1 1 6 ARG HB2 1.767 . 1.79 0.28 9.3453e-01 7421 1 1 1 1 6 ARG HB3 1.767 . 1.78 0.28 9.6297e-01 7421 1 1 1 1 6 ARG HG2 1.659 . 1.58 0.27 7.6983e-01 7421 1 1 1 1 6 ARG HG3 1.617 . 1.58 0.27 8.9100e-01 7421 1 1 1 1 6 ARG HD2 3.185 . 3.13 0.23 8.1100e-01 7421 1 1 1 1 6 ARG HD3 3.185 . 3.13 0.22 8.0259e-01 7421 1 1 1 1 6 ARG HE 6.990 . 7.32 0.52 5.2568e-01 7421 1 1 1 1 6 ARG N 122.791 . 120.61 3.9 5.7600e-01 7421 1 1 1 1 6 ARG NE 84.965 . 89.8 12.83 7.0628e-01 7421 1 1 1 1 10 PHE CA 58.142 . 58.25 2.73 9.6844e-01 7421 1 1 1 1 10 PHE CB 39.576 . 39.95 2.04 8.5454e-01 7421 1 1 1 1 10 PHE CD1 132.097 . 131.38 1.38 6.0337e-01 7421 1 1 1 1 10 PHE CD2 132.097 . 131.33 1.48 6.0429e-01 7421 1 1 1 1 10 PHE CE1 131.041 . 130.48 1.29 6.6365e-01 7421 1 1 1 1 10 PHE CE2 131.041 . 130.6 0.97 6.4937e-01 7421 1 1 1 1 10 PHE CZ 127.970 . 129.11 1.68 4.9741e-01 7421 1 1 1 1 10 PHE H 9.703 . 8.42 0.74 8.2957e-02 7421 1 1 1 1 10 PHE HA 4.600 . 4.62 0.58 9.7249e-01 7421 1 1 1 1 10 PHE HB2 3.026 . 2.99 0.37 9.2249e-01 7421 1 1 1 1 10 PHE HB3 3.969 . 2.97 0.38 8.5650e-03 7421 1 1 1 1 10 PHE HD1 6.739 . 6.91 0.82 8.3481e-01 7421 1 1 1 1 10 PHE HD2 6.739 . 6.89 0.86 8.6062e-01 7421 1 1 1 1 10 PHE HE1 6.690 . 6.95 0.82 7.5119e-01 7421 1 1 1 1 10 PHE HE2 6.690 . 6.94 0.86 7.7128e-01 7421 1 1 1 1 10 PHE HZ 6.773 . 6.92 0.8 8.5421e-01 7421 1 1 1 1 10 PHE N 104.658 M 120.69 4.18 1.2536e-04 7421 1 1 1 1 23 ARG C 174.834 . 176.49 2.16 4.4328e-01 7421 1 1 1 1 23 ARG CA 56.651 . 56.95 2.41 9.0126e-01 7421 1 1 1 1 23 ARG CB 31.802 . 30.66 1.77 5.1880e-01 7421 1 1 1 1 23 ARG CG 27.713 . 27.31 1.65 8.0704e-01 7421 1 1 1 1 23 ARG CD 43.826 . 43.1 1.1 5.0925e-01 7421 1 1 1 1 23 ARG CZ 171.026 M 159.01 0.87 2.1728e-43 7421 1 1 1 1 23 ARG H 8.004 . 8.24 0.6 6.9407e-01 7421 1 1 1 1 23 ARG HA 4.165 . 4.27 0.44 8.1139e-01 7421 1 1 1 1 23 ARG HB2 1.595 . 1.79 0.28 4.8616e-01 7421 1 1 1 1 23 ARG HB3 1.876 . 1.78 0.28 7.3171e-01 7421 1 1 1 1 23 ARG HG2 1.385 . 1.58 0.27 4.7016e-01 7421 1 1 1 1 23 ARG HG3 1.648 . 1.58 0.27 8.0116e-01 7421 1 1 1 1 23 ARG HD2 3.089 . 3.13 0.23 8.5852e-01 7421 1 1 1 1 23 ARG HD3 3.287 . 3.13 0.22 4.7545e-01 7421 1 1 1 1 23 ARG HE 7.051 . 7.32 0.52 6.0494e-01 7421 1 1 1 1 23 ARG N 120.491 . 120.61 3.9 9.7566e-01 7421 1 1 1 1 23 ARG NE 84.732 . 89.8 12.83 6.9283e-01 7421 1 1 1 1 60 ARG CA 55.730 . 56.95 2.41 6.1270e-01 7421 1 1 1 1 60 ARG CB 32.643 . 30.66 1.77 2.6257e-01 7421 1 1 1 1 60 ARG CG 26.661 . 27.31 1.65 6.9407e-01 7421 1 1 1 1 60 ARG CD 43.699 . 43.1 1.1 5.8607e-01 7421 1 1 1 1 60 ARG CZ 170.973 M 159.01 0.87 5.0527e-43 7421 1 1 1 1 60 ARG H 6.891 . 8.24 0.6 2.4555e-02 7421 1 1 1 1 60 ARG HA 4.145 . 4.27 0.44 7.7634e-01 7421 1 1 1 1 60 ARG HB2 1.575 . 1.79 0.28 4.4257e-01 7421 1 1 1 1 60 ARG HB3 1.694 . 1.78 0.28 7.5873e-01 7421 1 1 1 1 60 ARG HG2 1.416 . 1.58 0.27 5.4358e-01 7421 1 1 1 1 60 ARG HG3 1.416 . 1.58 0.27 5.4358e-01 7421 1 1 1 1 60 ARG HD2 3.097 . 3.13 0.23 8.8591e-01 7421 1 1 1 1 60 ARG HD3 3.097 . 3.13 0.22 8.8076e-01 7421 1 1 1 1 60 ARG HE 7.214 . 7.32 0.52 8.3847e-01 7421 1 1 1 1 60 ARG N 123.211 . 120.61 3.9 5.0482e-01 7421 1 1 1 1 60 ARG NE 84.662 . 89.8 12.83 6.8881e-01 7421 1 1 1 1 63 ARG C 176.771 . 176.49 2.16 8.9649e-01 7421 1 1 1 1 63 ARG CA 57.038 . 56.95 2.41 9.7087e-01 7421 1 1 1 1 63 ARG CB 30.195 . 30.66 1.77 7.9277e-01 7421 1 1 1 1 63 ARG CG 27.101 . 27.31 1.65 8.9920e-01 7421 1 1 1 1 63 ARG CD 43.036 . 43.1 1.1 9.5360e-01 7421 1 1 1 1 63 ARG CZ 170.904 M 159.01 0.87 1.5075e-42 7421 1 1 1 1 63 ARG H 8.741 . 8.24 0.6 4.0372e-01 7421 1 1 1 1 63 ARG HA 3.603 . 4.27 0.44 1.2954e-01 7421 1 1 1 1 63 ARG HB2 1.479 . 1.79 0.28 2.6669e-01 7421 1 1 1 1 63 ARG HB3 1.663 . 1.78 0.28 6.7605e-01 7421 1 1 1 1 63 ARG HG2 1.240 . 1.58 0.27 2.0794e-01 7421 1 1 1 1 63 ARG HG3 1.349 . 1.58 0.27 3.9224e-01 7421 1 1 1 1 63 ARG HD2 2.829 . 3.13 0.23 1.9064e-01 7421 1 1 1 1 63 ARG HD3 2.829 . 3.13 0.22 1.7125e-01 7421 1 1 1 1 63 ARG HE 7.067 . 7.32 0.52 6.2659e-01 7421 1 1 1 1 63 ARG N 125.835 . 120.61 3.9 1.8033e-01 7421 1 1 1 1 63 ARG NE 84.946 . 89.8 12.83 7.0518e-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 7421 1 1 1 1 6 ARG CYS 0.85 7421 1 1 1 1 6 ARG GLY 0.14 7421 1 1 1 1 10 PHE PHE 0.57 7421 1 1 1 1 10 PHE CYS 0.41 7421 1 1 1 1 23 ARG CYS 0.76 7421 1 1 1 1 23 ARG GLY 0.23 7421 1 1 1 1 60 ARG CYS 0.77 7421 1 1 1 1 60 ARG GLY 0.22 7421 1 1 1 1 63 ARG CYS 0.88 7421 1 1 1 1 63 ARG GLY 0.11 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7421 _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 7421 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 7421 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 7421 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7421 _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_