data_AVS_bmrb_pdb_report_16937 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16937 _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 26 ILE Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16937 1 1 1 1 43 LEU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16937 1 1 1 1 66 ILE Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16937 1 1 1 1 155 ILE Anomalous Suspicious Consistent Indeterminable Anomalous Indeterminable . . 16937 1 1 1 1 157 ARG Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16937 1 1 1 1 172 LEU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16937 1 1 1 1 191 ILE Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16937 1 1 1 1 194 PHE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16937 1 1 1 1 195 ILE Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16937 1 1 1 1 231 ILE Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16937 1 1 1 1 234 LYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16937 1 1 1 1 235 LEU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16937 1 1 1 1 267 ILE Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16937 1 1 1 1 268 ILE Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16937 1 1 1 1 269 LYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16937 1 1 1 1 270 ILE Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16937 1 1 1 1 271 ILE Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16937 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 26 ILE C 177.720 . 175.82 1.95 3.2988e-01 16937 1 1 1 1 26 ILE CA 41.571 A 61.59 2.78 5.9738e-13 16937 1 1 1 1 26 ILE CB 37.862 . 38.58 2.09 7.3119e-01 16937 1 1 1 1 26 ILE H 7.924 . 8.26 0.71 6.3604e-01 16937 1 1 1 1 26 ILE N 123.250 . 121.6 4.72 7.2666e-01 16937 1 1 1 1 43 LEU C 168.571 A 176.97 2.09 5.8530e-05 16937 1 1 1 1 43 LEU CA 57.260 . 55.65 2.21 4.6630e-01 16937 1 1 1 1 43 LEU CB 41.104 . 42.37 1.86 4.9610e-01 16937 1 1 1 1 43 LEU H 8.814 . 8.22 0.65 3.6080e-01 16937 1 1 1 1 43 LEU N 131.748 . 121.98 4.07 1.6395e-02 16937 1 1 1 1 66 ILE C 168.448 S 175.82 1.95 1.5651e-04 16937 1 1 1 1 66 ILE CA 40.928 A 61.59 2.78 1.0667e-13 16937 1 1 1 1 66 ILE CB 37.531 . 38.58 2.09 6.1573e-01 16937 1 1 1 1 66 ILE H 7.457 . 8.26 0.71 2.5806e-01 16937 1 1 1 1 66 ILE N 119.550 . 121.6 4.72 6.6405e-01 16937 1 1 1 1 155 ILE C 177.245 . 175.82 1.95 4.6492e-01 16937 1 1 1 1 155 ILE CA 41.245 A 61.59 2.78 2.5105e-13 16937 1 1 1 1 155 ILE CB 37.661 . 38.58 2.09 6.6014e-01 16937 1 1 1 1 157 ARG C 169.082 S 176.49 2.16 6.0441e-04 16937 1 1 1 1 157 ARG CA 58.411 . 56.95 2.41 5.4437e-01 16937 1 1 1 1 157 ARG CB 44.439 A 30.66 1.77 6.9854e-15 16937 1 1 1 1 157 ARG H 8.391 . 8.24 0.6 8.0130e-01 16937 1 1 1 1 157 ARG N 116.419 . 120.61 3.9 2.8255e-01 16937 1 1 1 1 172 LEU C 168.477 A 176.97 2.09 4.8314e-05 16937 1 1 1 1 172 LEU CA 58.368 . 55.65 2.21 2.1875e-01 16937 1 1 1 1 172 LEU CB 41.239 . 42.37 1.86 5.4314e-01 16937 1 1 1 1 172 LEU H 8.473 . 8.22 0.65 6.9711e-01 16937 1 1 1 1 172 LEU N 126.233 . 121.98 4.07 2.9604e-01 16937 1 1 1 1 191 ILE C 177.310 . 175.82 1.95 4.4481e-01 16937 1 1 1 1 191 ILE CA 41.071 A 61.59 2.78 1.5718e-13 16937 1 1 1 1 191 ILE CB 36.597 . 38.58 2.09 3.4272e-01 16937 1 1 1 1 191 ILE H 7.265 . 8.26 0.71 1.6109e-01 16937 1 1 1 1 191 ILE N 121.635 . 121.6 4.72 9.9408e-01 16937 1 1 1 1 194 PHE C 168.478 A 175.49 2.13 9.9471e-04 16937 1 1 1 1 194 PHE CA 60.135 . 58.25 2.73 4.8989e-01 16937 1 1 1 1 194 PHE CB 38.235 . 39.95 2.04 4.0052e-01 16937 1 1 1 1 194 PHE H 7.775 . 8.42 0.74 3.8342e-01 16937 1 1 1 1 194 PHE N 120.160 . 120.69 4.18 8.9910e-01 16937 1 1 1 1 195 ILE C 168.477 S 175.82 1.95 1.6612e-04 16937 1 1 1 1 195 ILE CA 40.883 A 61.59 2.78 9.4364e-14 16937 1 1 1 1 195 ILE CB 37.514 . 38.58 2.09 6.1002e-01 16937 1 1 1 1 195 ILE H 7.577 . 8.26 0.71 3.3606e-01 16937 1 1 1 1 195 ILE N 118.877 . 121.6 4.72 5.6400e-01 16937 1 1 1 1 231 ILE C 177.239 . 175.82 1.95 4.6680e-01 16937 1 1 1 1 231 ILE CA 41.273 A 61.59 2.78 2.7060e-13 16937 1 1 1 1 231 ILE CB 37.987 . 38.58 2.09 7.7662e-01 16937 1 1 1 1 231 ILE H 7.787 . 8.26 0.71 5.0529e-01 16937 1 1 1 1 231 ILE N 119.493 . 121.6 4.72 6.5531e-01 16937 1 1 1 1 234 LYS C 169.645 A 176.46 2.05 8.8612e-04 16937 1 1 1 1 234 LYS CA 57.571 . 56.84 2.25 7.4526e-01 16937 1 1 1 1 234 LYS CB 31.316 . 32.83 1.88 4.2064e-01 16937 1 1 1 1 234 LYS H 7.375 . 8.22 0.64 1.8673e-01 16937 1 1 1 1 234 LYS N 120.671 . 121.16 4.11 9.0529e-01 16937 1 1 1 1 235 LEU C 168.508 A 176.97 2.09 5.1480e-05 16937 1 1 1 1 235 LEU CA 57.704 . 55.65 2.21 3.5268e-01 16937 1 1 1 1 235 LEU CB 40.763 . 42.37 1.86 3.8760e-01 16937 1 1 1 1 235 LEU H 8.103 . 8.22 0.65 8.5715e-01 16937 1 1 1 1 235 LEU N 117.514 . 121.98 4.07 2.7251e-01 16937 1 1 1 1 267 ILE C 176.820 . 175.82 1.95 6.0808e-01 16937 1 1 1 1 267 ILE CA 41.222 A 61.59 2.78 2.3603e-13 16937 1 1 1 1 267 ILE CB 37.155 . 38.58 2.09 4.9535e-01 16937 1 1 1 1 267 ILE H 7.273 . 8.26 0.71 1.6449e-01 16937 1 1 1 1 267 ILE N 121.091 . 121.6 4.72 9.1412e-01 16937 1 1 1 1 268 ILE C 177.350 . 175.82 1.95 4.3268e-01 16937 1 1 1 1 268 ILE CA 41.829 A 61.59 2.78 1.1750e-12 16937 1 1 1 1 268 ILE CB 37.633 . 38.58 2.09 6.5047e-01 16937 1 1 1 1 268 ILE H 7.758 . 8.26 0.71 4.7954e-01 16937 1 1 1 1 268 ILE N 119.339 . 121.6 4.72 6.3192e-01 16937 1 1 1 1 269 LYS C 168.477 A 176.46 2.05 9.8545e-05 16937 1 1 1 1 269 LYS CA 58.940 . 56.84 2.25 3.5065e-01 16937 1 1 1 1 269 LYS CB 31.454 . 32.83 1.88 4.6422e-01 16937 1 1 1 1 269 LYS H 7.355 . 8.22 0.64 1.7652e-01 16937 1 1 1 1 269 LYS N 119.459 . 121.16 4.11 6.7897e-01 16937 1 1 1 1 270 ILE C 177.669 . 175.82 1.95 3.4303e-01 16937 1 1 1 1 270 ILE CA 40.539 A 61.59 2.78 3.6667e-14 16937 1 1 1 1 270 ILE CB 37.347 . 38.58 2.09 5.5522e-01 16937 1 1 1 1 270 ILE H 7.538 . 8.26 0.71 3.0920e-01 16937 1 1 1 1 270 ILE N 120.236 . 121.6 4.72 7.7259e-01 16937 1 1 1 1 271 ILE C 177.565 . 175.82 1.95 3.7086e-01 16937 1 1 1 1 271 ILE CA 40.846 A 61.59 2.78 8.5303e-14 16937 1 1 1 1 271 ILE CB 37.289 . 38.58 2.09 5.3677e-01 16937 1 1 1 1 271 ILE H 7.313 . 8.26 0.71 1.8227e-01 16937 1 1 1 1 271 ILE N 119.360 . 121.6 4.72 6.3509e-01 16937 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 26 ILE LYS 0.76 16937 1 1 1 1 26 ILE GLY 0.22 16937 1 1 1 1 43 LEU PHE 0.18 16937 1 1 1 1 43 LEU LYS 0.18 16937 1 1 1 1 43 LEU TYR 0.15 16937 1 1 1 1 43 LEU LEU 0.14 16937 1 1 1 1 43 LEU CYS 0.13 16937 1 1 1 1 43 LEU ASP 0.09 16937 1 1 1 1 43 LEU ARG 0.04 16937 1 1 1 1 43 LEU ILE 0.03 16937 1 1 1 1 43 LEU ASN 0.01 16937 1 1 1 1 66 ILE LYS 0.93 16937 1 1 1 1 66 ILE GLY 0.06 16937 1 1 1 1 155 ILE LYS 0.88 16937 1 1 1 1 155 ILE GLY 0.11 16937 1 1 1 1 157 ARG GLY 0.41 16937 1 1 1 1 157 ARG CYS 0.23 16937 1 1 1 1 157 ARG LEU 0.19 16937 1 1 1 1 157 ARG PHE 0.06 16937 1 1 1 1 157 ARG TYR 0.04 16937 1 1 1 1 157 ARG LYS 0.01 16937 1 1 1 1 157 ARG ASP 0.01 16937 1 1 1 1 172 LEU PHE 0.22 16937 1 1 1 1 172 LEU LYS 0.18 16937 1 1 1 1 172 LEU TYR 0.17 16937 1 1 1 1 172 LEU CYS 0.14 16937 1 1 1 1 172 LEU LEU 0.1 16937 1 1 1 1 172 LEU ILE 0.06 16937 1 1 1 1 172 LEU ARG 0.05 16937 1 1 1 1 172 LEU ASP 0.04 16937 1 1 1 1 191 ILE LYS 0.96 16937 1 1 1 1 191 ILE GLY 0.02 16937 1 1 1 1 194 PHE ILE 0.29 16937 1 1 1 1 194 PHE TYR 0.22 16937 1 1 1 1 194 PHE CYS 0.21 16937 1 1 1 1 194 PHE PHE 0.19 16937 1 1 1 1 194 PHE GLU 0.05 16937 1 1 1 1 195 ILE LYS 0.94 16937 1 1 1 1 195 ILE GLY 0.05 16937 1 1 1 1 231 ILE LYS 0.82 16937 1 1 1 1 231 ILE GLY 0.17 16937 1 1 1 1 234 LYS CYS 0.16 16937 1 1 1 1 234 LYS ARG 0.16 16937 1 1 1 1 234 LYS GLU 0.14 16937 1 1 1 1 234 LYS MET 0.13 16937 1 1 1 1 234 LYS HIS 0.12 16937 1 1 1 1 234 LYS LYS 0.12 16937 1 1 1 1 234 LYS GLN 0.08 16937 1 1 1 1 234 LYS VAL 0.03 16937 1 1 1 1 234 LYS ILE 0.01 16937 1 1 1 1 235 LEU PHE 0.22 16937 1 1 1 1 235 LEU TYR 0.19 16937 1 1 1 1 235 LEU CYS 0.15 16937 1 1 1 1 235 LEU LYS 0.13 16937 1 1 1 1 235 LEU LEU 0.11 16937 1 1 1 1 235 LEU ASP 0.07 16937 1 1 1 1 235 LEU ILE 0.05 16937 1 1 1 1 235 LEU ARG 0.02 16937 1 1 1 1 235 LEU ASN 0.01 16937 1 1 1 1 267 ILE LYS 0.93 16937 1 1 1 1 267 ILE GLY 0.05 16937 1 1 1 1 268 ILE LYS 0.73 16937 1 1 1 1 268 ILE GLY 0.26 16937 1 1 1 1 269 LYS CYS 0.19 16937 1 1 1 1 269 LYS ARG 0.14 16937 1 1 1 1 269 LYS GLU 0.13 16937 1 1 1 1 269 LYS LYS 0.11 16937 1 1 1 1 269 LYS MET 0.1 16937 1 1 1 1 269 LYS HIS 0.1 16937 1 1 1 1 269 LYS VAL 0.09 16937 1 1 1 1 269 LYS GLN 0.06 16937 1 1 1 1 269 LYS ILE 0.03 16937 1 1 1 1 270 ILE LYS 0.96 16937 1 1 1 1 270 ILE GLY 0.02 16937 1 1 1 1 271 ILE LYS 0.95 16937 1 1 1 1 271 ILE GLY 0.03 16937 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16937 _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 16937 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16937 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16937 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16937 _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_