data_AVS_bmrb_pdb_report_10300 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10300 _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 40 TRP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10300 1 1 1 1 61 TRP Anomalous Consistent Consistent Anomalous Consistent Anomalous . . 10300 1 1 1 1 86 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10300 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 40 TRP C 173.149 . 176.1 1.89 1.1843e-01 10300 1 1 1 1 40 TRP CA 56.946 . 57.71 2.65 7.7312e-01 10300 1 1 1 1 40 TRP CB 31.343 . 30.16 2.19 5.8907e-01 10300 1 1 1 1 40 TRP CD1 124.669 . 126.16 1.76 3.9691e-01 10300 1 1 1 1 40 TRP CE3 121.733 . 120.38 1.5 3.6706e-01 10300 1 1 1 1 40 TRP CZ2 113.176 . 114.19 1.09 3.5223e-01 10300 1 1 1 1 40 TRP CZ3 120.417 . 121.57 1.76 5.1239e-01 10300 1 1 1 1 40 TRP CH2 123.742 . 123.75 1.34 9.9524e-01 10300 1 1 1 1 40 TRP H 7.408 . 8.35 0.84 2.6211e-01 10300 1 1 1 1 40 TRP HA 4.993 . 4.74 0.55 6.4552e-01 10300 1 1 1 1 40 TRP HB2 3.360 . 3.22 0.36 6.9736e-01 10300 1 1 1 1 40 TRP HB3 2.864 . 3.18 0.36 3.8006e-01 10300 1 1 1 1 40 TRP HD1 6.368 . 7.16 0.34 1.9837e-02 10300 1 1 1 1 40 TRP HE1 6.484 A 10.13 0.53 6.0170e-12 10300 1 1 1 1 40 TRP HE3 6.828 . 7.17 1.03 7.3986e-01 10300 1 1 1 1 40 TRP HZ2 6.516 . 7.14 0.89 4.8323e-01 10300 1 1 1 1 40 TRP HZ3 6.430 . 6.68 1.02 8.0638e-01 10300 1 1 1 1 40 TRP HH2 6.573 . 6.82 0.94 7.9273e-01 10300 1 1 1 1 40 TRP N 116.011 . 121.87 4.58 2.0081e-01 10300 1 1 1 1 40 TRP NE1 124.088 . 129.48 2.56 3.5183e-02 10300 1 1 1 1 61 TRP C 175.762 . 176.1 1.89 8.5807e-01 10300 1 1 1 1 61 TRP CA 55.431 . 57.71 2.65 3.8979e-01 10300 1 1 1 1 61 TRP CB 30.069 . 30.16 2.19 9.6686e-01 10300 1 1 1 1 61 TRP CD1 128.949 . 126.16 1.76 1.1304e-01 10300 1 1 1 1 61 TRP CE3 121.833 . 120.38 1.5 3.3271e-01 10300 1 1 1 1 61 TRP CZ2 115.996 . 114.19 1.09 9.7544e-02 10300 1 1 1 1 61 TRP CZ3 120.499 . 121.57 1.76 5.4284e-01 10300 1 1 1 1 61 TRP CH2 122.667 . 123.75 1.34 4.1897e-01 10300 1 1 1 1 61 TRP H 9.473 . 8.35 0.84 1.8125e-01 10300 1 1 1 1 61 TRP HA 5.199 . 4.74 0.55 4.0397e-01 10300 1 1 1 1 61 TRP HB2 2.979 . 3.22 0.36 5.0321e-01 10300 1 1 1 1 61 TRP HB3 2.917 . 3.18 0.36 4.6505e-01 10300 1 1 1 1 61 TRP HD1 7.260 . 7.16 0.34 7.6867e-01 10300 1 1 1 1 61 TRP HE1 14.392 A 10.13 0.53 8.8739e-16 10300 1 1 1 1 61 TRP HE3 7.193 . 7.17 1.03 9.8218e-01 10300 1 1 1 1 61 TRP HZ2 7.441 . 7.14 0.89 7.3521e-01 10300 1 1 1 1 61 TRP HZ3 7.442 . 6.68 1.02 4.5503e-01 10300 1 1 1 1 61 TRP HH2 6.946 . 6.82 0.94 8.9337e-01 10300 1 1 1 1 61 TRP N 131.599 . 121.87 4.58 3.3650e-02 10300 1 1 1 1 61 TRP NE1 144.357 A 129.48 2.56 6.1979e-09 10300 1 1 1 1 86 GLN C 174.821 . 176.39 1.96 4.2342e-01 10300 1 1 1 1 86 GLN CA 55.518 . 56.62 2.19 6.1483e-01 10300 1 1 1 1 86 GLN CB 28.457 . 29.1 1.97 7.4412e-01 10300 1 1 1 1 86 GLN CG 32.403 . 33.72 1.1 2.3120e-01 10300 1 1 1 1 86 GLN H 4.276 A 8.22 0.62 2.0007e-10 10300 1 1 1 1 86 GLN HA 3.387 . 4.28 0.44 4.2403e-02 10300 1 1 1 1 86 GLN HB2 1.252 . 2.05 0.28 4.3719e-03 10300 1 1 1 1 86 GLN HB3 -0.571 A 2.04 0.29 2.1874e-19 10300 1 1 1 1 86 GLN HG2 1.691 . 2.32 0.29 3.0085e-02 10300 1 1 1 1 86 GLN HG3 1.447 . 2.32 0.29 2.6095e-03 10300 1 1 1 1 86 GLN HE21 7.481 . 7.17 0.46 4.9899e-01 10300 1 1 1 1 86 GLN HE22 6.831 . 7.07 0.49 6.2572e-01 10300 1 1 1 1 86 GLN N 125.546 . 119.92 4.01 1.6062e-01 10300 1 1 1 1 86 GLN NE2 115.738 . 111.81 2.2 7.4188e-02 10300 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 40 TRP CYS 0.5 10300 1 1 1 1 40 TRP TRP 0.48 10300 1 1 1 1 61 TRP CYS 0.63 10300 1 1 1 1 61 TRP TRP 0.28 10300 1 1 1 1 61 TRP HIS 0.08 10300 1 1 1 1 86 GLN LYS 0.28 10300 1 1 1 1 86 GLN CYS 0.25 10300 1 1 1 1 86 GLN GLN 0.18 10300 1 1 1 1 86 GLN ARG 0.18 10300 1 1 1 1 86 GLN MET 0.07 10300 1 1 1 1 86 GLN GLU 0.01 10300 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10300 _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.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 10300 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 10300 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 10300 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10300 _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_