data_AVS_bmrb_pdb_report_6697 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6697 _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 6697 1 1 1 1 21 ASN Anomalous Consistent Consistent Indeterminable Anomalous Indeterminable . . 6697 1 1 1 1 23 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6697 1 1 1 1 28 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6697 1 1 1 1 29 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6697 1 1 1 1 40 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6697 1 1 1 1 48 GLU Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 6697 1 1 1 1 50 PHE Anomalous Indeterminable Consistent Indeterminable Anomalous Consistent . . 6697 1 1 1 1 51 GLU Anomalous Consistent Consistent Indeterminable Anomalous Consistent . . 6697 1 1 1 1 52 GLU Anomalous Consistent Consistent Indeterminable Anomalous Indeterminable . . 6697 1 1 1 1 53 LEU Anomalous Indeterminable Consistent Indeterminable Anomalous Consistent . . 6697 1 1 1 1 54 ASP Anomalous Indeterminable Consistent Indeterminable Anomalous Anomalous . . 6697 1 1 1 1 55 LYS Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 6697 1 1 1 1 61 VAL Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 6697 1 1 1 1 62 SER Anomalous Indeterminable Consistent Indeterminable Anomalous Indeterminable . . 6697 1 1 1 1 63 PHE Anomalous Indeterminable Consistent Indeterminable Anomalous Indeterminable . . 6697 1 1 1 1 64 GLU Anomalous Indeterminable Consistent Indeterminable Anomalous Anomalous . . 6697 1 1 1 1 69 LEU 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 6697 1 1 1 1 21 ASN C 167.635 M 175.16 1.76 1.9065e-05 6697 1 1 1 1 21 ASN CA 47.673 . 53.43 1.94 3.0021e-03 6697 1 1 1 1 21 ASN CB 34.485 . 38.66 1.78 1.9001e-02 6697 1 1 1 1 21 ASN CG 173.269 M 176.61 1.33 1.2004e-02 6697 1 1 1 1 23 LEU C 178.225 . 176.97 2.09 5.4819e-01 6697 1 1 1 1 23 LEU CA 54.366 . 55.65 2.21 5.6124e-01 6697 1 1 1 1 23 LEU CB 46.583 . 42.37 1.86 2.3509e-02 6697 1 1 1 1 23 LEU HA 7.316 M 4.32 0.47 1.8360e-10 6697 1 1 1 1 23 LEU N 128.823 . 121.98 4.07 9.2699e-02 6697 1 1 1 1 28 LEU C 178.851 . 176.97 2.09 3.6812e-01 6697 1 1 1 1 28 LEU CA 59.500 . 55.65 2.21 8.1494e-02 6697 1 1 1 1 28 LEU H 12.923 M 8.22 0.65 4.6421e-13 6697 1 1 1 1 28 LEU HA 8.730 M 4.32 0.47 6.4135e-21 6697 1 1 1 1 28 LEU N 123.019 . 121.98 4.07 7.9850e-01 6697 1 1 1 1 29 LYS C 177.120 . 176.46 2.05 7.4749e-01 6697 1 1 1 1 29 LYS CA 60.755 . 56.84 2.25 8.1859e-02 6697 1 1 1 1 29 LYS CB 31.082 . 32.83 1.88 3.5248e-01 6697 1 1 1 1 29 LYS H 11.688 M 8.22 0.64 6.0017e-08 6697 1 1 1 1 29 LYS HA 6.538 S 4.28 0.45 5.2273e-07 6697 1 1 1 1 29 LYS N 123.197 . 121.16 4.11 6.2016e-01 6697 1 1 1 1 40 LEU C 176.031 . 176.97 2.09 6.5323e-01 6697 1 1 1 1 40 LEU CA 54.151 . 55.65 2.21 4.9759e-01 6697 1 1 1 1 40 LEU CB 40.601 . 42.37 1.86 3.4157e-01 6697 1 1 1 1 40 LEU H 9.490 . 8.22 0.65 5.0719e-02 6697 1 1 1 1 40 LEU HA 6.502 M 4.32 0.47 3.4413e-06 6697 1 1 1 1 40 LEU N 118.769 . 121.98 4.07 4.3015e-01 6697 1 1 1 1 48 GLU C 181.141 . 176.93 2.11 4.5963e-02 6697 1 1 1 1 48 GLU CA 59.621 . 57.42 2.19 3.1489e-01 6697 1 1 1 1 48 GLU HA 8.756 M 4.26 0.43 1.3781e-25 6697 1 1 1 1 50 PHE C 187.614 M 175.49 2.13 1.2555e-08 6697 1 1 1 1 50 PHE N 127.518 . 120.69 4.18 1.0237e-01 6697 1 1 1 1 51 GLU C 183.061 M 176.93 2.11 3.6645e-03 6697 1 1 1 1 51 GLU CA 62.250 . 57.42 2.19 2.7420e-02 6697 1 1 1 1 51 GLU N 124.556 . 120.68 3.68 2.9222e-01 6697 1 1 1 1 52 GLU C 190.582 M 176.93 2.11 9.7911e-11 6697 1 1 1 1 52 GLU CA 54.000 . 57.42 2.19 1.1837e-01 6697 1 1 1 1 53 LEU C 228.493 M 176.97 2.09 0.0000e+00 6697 1 1 1 1 53 LEU N 131.976 . 121.98 4.07 1.4049e-02 6697 1 1 1 1 54 ASP C 219.003 M 176.41 1.77 0.0000e+00 6697 1 1 1 1 54 ASP N 198.510 M 120.73 4.2 1.4498e-76 6697 1 1 1 1 55 LYS N 182.600 M 121.16 4.11 1.5833e-50 6697 1 1 1 1 61 VAL N 153.202 M 121.02 4.96 8.6807e-11 6697 1 1 1 1 62 SER C 161.084 M 174.53 1.73 7.7101e-15 6697 1 1 1 1 63 PHE C 167.129 M 175.49 2.13 8.6603e-05 6697 1 1 1 1 64 GLU C 163.008 M 176.93 2.11 4.1645e-11 6697 1 1 1 1 64 GLU N 105.967 M 120.68 3.68 6.3854e-05 6697 1 1 1 1 69 LEU C 177.302 . 176.97 2.09 8.7379e-01 6697 1 1 1 1 69 LEU CA 57.282 . 55.65 2.21 4.6023e-01 6697 1 1 1 1 69 LEU CB 43.000 . 42.37 1.86 7.3483e-01 6697 1 1 1 1 69 LEU H 10.697 S 8.22 0.65 1.3854e-04 6697 1 1 1 1 69 LEU HA 7.248 M 4.32 0.47 4.6707e-10 6697 1 1 1 1 69 LEU N 123.464 . 121.98 4.07 7.1540e-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 6697 1 1 1 1 21 ASN GLY 0.99 6697 1 1 1 1 23 LEU GLY 0.84 6697 1 1 1 1 23 LEU LEU 0.14 6697 1 1 1 1 28 LEU SER 0.16 6697 1 1 1 1 28 LEU PHE 0.16 6697 1 1 1 1 28 LEU TYR 0.14 6697 1 1 1 1 28 LEU ILE 0.11 6697 1 1 1 1 28 LEU GLU 0.08 6697 1 1 1 1 28 LEU THR 0.08 6697 1 1 1 1 28 LEU VAL 0.08 6697 1 1 1 1 28 LEU LYS 0.05 6697 1 1 1 1 28 LEU GLN 0.04 6697 1 1 1 1 28 LEU MET 0.03 6697 1 1 1 1 28 LEU LEU 0.02 6697 1 1 1 1 29 LYS VAL 0.33 6697 1 1 1 1 29 LYS ILE 0.17 6697 1 1 1 1 29 LYS GLU 0.14 6697 1 1 1 1 29 LYS PRO 0.14 6697 1 1 1 1 29 LYS LYS 0.07 6697 1 1 1 1 29 LYS MET 0.06 6697 1 1 1 1 29 LYS GLN 0.05 6697 1 1 1 1 40 LEU ASP 0.34 6697 1 1 1 1 40 LEU ASN 0.18 6697 1 1 1 1 40 LEU LEU 0.17 6697 1 1 1 1 40 LEU PHE 0.1 6697 1 1 1 1 40 LEU TYR 0.09 6697 1 1 1 1 40 LEU LYS 0.08 6697 1 1 1 1 48 GLU SER 0.15 6697 1 1 1 1 48 GLU PHE 0.15 6697 1 1 1 1 48 GLU TYR 0.13 6697 1 1 1 1 48 GLU ILE 0.12 6697 1 1 1 1 48 GLU THR 0.09 6697 1 1 1 1 48 GLU VAL 0.08 6697 1 1 1 1 48 GLU GLU 0.08 6697 1 1 1 1 48 GLU LYS 0.05 6697 1 1 1 1 48 GLU GLN 0.04 6697 1 1 1 1 48 GLU MET 0.03 6697 1 1 1 1 48 GLU LEU 0.01 6697 1 1 1 1 51 GLU THR 0.24 6697 1 1 1 1 51 GLU VAL 0.24 6697 1 1 1 1 51 GLU ILE 0.2 6697 1 1 1 1 51 GLU PRO 0.13 6697 1 1 1 1 51 GLU SER 0.08 6697 1 1 1 1 51 GLU PHE 0.03 6697 1 1 1 1 51 GLU TYR 0.02 6697 1 1 1 1 52 GLU ASP 0.2 6697 1 1 1 1 52 GLU ASN 0.19 6697 1 1 1 1 52 GLU ALA 0.17 6697 1 1 1 1 52 GLU LEU 0.11 6697 1 1 1 1 52 GLU MET 0.09 6697 1 1 1 1 52 GLU GLN 0.05 6697 1 1 1 1 52 GLU LYS 0.05 6697 1 1 1 1 52 GLU TYR 0.03 6697 1 1 1 1 52 GLU PHE 0.03 6697 1 1 1 1 52 GLU GLU 0.03 6697 1 1 1 1 69 LEU LEU 0.35 6697 1 1 1 1 69 LEU LYS 0.22 6697 1 1 1 1 69 LEU PHE 0.15 6697 1 1 1 1 69 LEU TYR 0.1 6697 1 1 1 1 69 LEU ASP 0.08 6697 1 1 1 1 69 LEU GLY 0.05 6697 1 1 1 1 69 LEU ILE 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6697 _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 6697 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 6697 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6697 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6697 _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_