data_AVS_bmrb_pdb_report_6882 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6882 _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 6882 1 1 1 1 52 ASN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6882 1 1 1 1 56 TRP Anomalous Consistent 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 6882 1 1 1 1 52 ASN C 176.123 . 175.16 1.76 5.8427e-01 6882 1 1 1 1 52 ASN CA 53.808 . 53.43 1.94 8.4551e-01 6882 1 1 1 1 52 ASN CB 37.865 . 38.66 1.78 6.5514e-01 6882 1 1 1 1 52 ASN CG 171.200 M 176.61 1.33 4.7486e-05 6882 1 1 1 1 52 ASN H 8.539 . 8.37 0.65 7.9486e-01 6882 1 1 1 1 52 ASN HA 4.202 . 4.7 0.39 2.0163e-01 6882 1 1 1 1 52 ASN HB2 2.626 . 2.8 0.34 6.0882e-01 6882 1 1 1 1 52 ASN HB3 3.134 . 2.78 0.34 2.9779e-01 6882 1 1 1 1 52 ASN HD21 6.595 . 7.27 0.52 1.9426e-01 6882 1 1 1 1 52 ASN HD22 7.421 . 7.2 0.52 6.7084e-01 6882 1 1 1 1 52 ASN N 119.003 . 119.13 4.42 9.7708e-01 6882 1 1 1 1 52 ASN ND2 111.354 . 112.83 2.6 5.7024e-01 6882 1 1 1 1 56 TRP C 181.253 M 176.1 1.89 6.4019e-03 6882 1 1 1 1 56 TRP CA 55.843 . 57.71 2.65 4.8110e-01 6882 1 1 1 1 56 TRP CB 29.756 . 30.16 2.19 8.5364e-01 6882 1 1 1 1 56 TRP CZ2 112.436 . 114.19 1.09 1.0758e-01 6882 1 1 1 1 56 TRP CZ3 121.635 . 121.57 1.76 9.7054e-01 6882 1 1 1 1 56 TRP CH2 125.040 . 123.75 1.34 3.3571e-01 6882 1 1 1 1 56 TRP H 8.470 . 8.35 0.84 8.8640e-01 6882 1 1 1 1 56 TRP HA 5.288 . 4.74 0.55 3.1907e-01 6882 1 1 1 1 56 TRP HB2 3.804 . 3.22 0.36 1.0476e-01 6882 1 1 1 1 56 TRP HB3 2.902 . 3.18 0.36 4.3998e-01 6882 1 1 1 1 56 TRP HD1 7.056 . 7.16 0.34 7.5969e-01 6882 1 1 1 1 56 TRP HE1 10.637 . 10.13 0.53 3.3877e-01 6882 1 1 1 1 56 TRP HE3 6.250 . 7.17 1.03 3.7175e-01 6882 1 1 1 1 56 TRP HZ2 7.040 . 7.14 0.89 9.1054e-01 6882 1 1 1 1 56 TRP HZ3 6.767 . 6.68 1.02 9.3203e-01 6882 1 1 1 1 56 TRP HH2 7.275 . 6.82 0.94 6.2836e-01 6882 1 1 1 1 56 TRP N 121.169 . 121.87 4.58 8.7835e-01 6882 1 1 1 1 56 TRP NE1 129.699 . 129.48 2.56 9.3183e-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 6882 1 1 1 1 52 ASN CYS 0.99 6882 1 1 1 1 56 TRP CYS 0.57 6882 1 1 1 1 56 TRP TRP 0.42 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6882 _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 6882 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 6882 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6882 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6882 _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_