data_AVS_bmrb_pdb_report_11426
save_AVS_chem_shift_analysis
_AVS_report.Sf_category AVS_report
_AVS_report.Sf_framecode AVS_chem_shift_analysis
_AVS_report.Entry_ID 11426
_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 19 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 11426 1
1 1 1 30 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 11426 1
1 1 1 31 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 11426 1
1 1 1 56 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 11426 1
1 1 1 69 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 11426 1
1 1 1 70 ARG Anomalous Suspicious Consistent Consistent Anomalous Anomalous . . 11426 1
1 1 1 75 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 11426 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 19 ARG C 174.307 . 176.41 2.03 3.0022e-01 11426 1
1 1 1 19 ARG CA 55.171 . 56.77 2.31 4.8881e-01 11426 1
1 1 1 19 ARG CB 32.961 . 30.7 1.83 2.1664e-01 11426 1
1 1 1 19 ARG CG 27.772 . 27.21 1.2 6.3955e-01 11426 1
1 1 1 19 ARG CD 43.224 . 43.16 0.88 9.4202e-01 11426 1
1 1 1 19 ARG H 8.997 . 8.24 0.61 2.1461e-01 11426 1
1 1 1 19 ARG HA 5.252 . 4.3 0.46 3.8493e-02 11426 1
1 1 1 19 ARG HB2 1.505 . 1.79 0.27 2.9117e-01 11426 1
1 1 1 19 ARG HG2 1.355 . 1.57 0.27 4.2586e-01 11426 1
1 1 1 19 ARG HD2 1.968 S 3.12 0.24 1.5867e-06 11426 1
1 1 1 19 ARG HD3 2.443 . 3.1 0.26 1.1507e-02 11426 1
1 1 1 19 ARG HE 7.115 . 7.4 0.63 6.5099e-01 11426 1
1 1 1 19 ARG N 121.944 . 120.8 3.68 7.5590e-01 11426 1
1 1 1 19 ARG NE 116.579 A 84.63 1.68 1.2273e-80 11426 1
1 1 1 30 ARG C 178.232 . 176.41 2.03 3.6943e-01 11426 1
1 1 1 30 ARG CA 61.496 . 56.77 2.31 4.0767e-02 11426 1
1 1 1 30 ARG CB 29.691 . 30.7 1.83 5.8138e-01 11426 1
1 1 1 30 ARG CG 27.715 . 27.21 1.2 6.7388e-01 11426 1
1 1 1 30 ARG CD 43.123 . 43.16 0.88 9.6646e-01 11426 1
1 1 1 30 ARG H 8.256 . 8.24 0.61 9.7907e-01 11426 1
1 1 1 30 ARG HA 3.640 . 4.3 0.46 1.5135e-01 11426 1
1 1 1 30 ARG HB2 1.713 . 1.79 0.27 7.7550e-01 11426 1
1 1 1 30 ARG HB3 1.798 . 1.76 0.28 8.9205e-01 11426 1
1 1 1 30 ARG HG2 1.693 . 1.57 0.27 6.4871e-01 11426 1
1 1 1 30 ARG HG3 1.586 . 1.54 0.29 8.7397e-01 11426 1
1 1 1 30 ARG HD2 3.207 . 3.12 0.24 7.1698e-01 11426 1
1 1 1 30 ARG HE 7.697 . 7.4 0.63 6.3733e-01 11426 1
1 1 1 30 ARG N 119.198 . 120.8 3.68 6.6333e-01 11426 1
1 1 1 30 ARG NE 114.206 A 84.63 1.68 2.2646e-69 11426 1
1 1 1 31 ARG C 178.061 . 176.41 2.03 4.1605e-01 11426 1
1 1 1 31 ARG CA 59.359 . 56.77 2.31 2.6238e-01 11426 1
1 1 1 31 ARG CB 30.069 . 30.7 1.83 7.3024e-01 11426 1
1 1 1 31 ARG CG 27.505 . 27.21 1.2 8.0581e-01 11426 1
1 1 1 31 ARG CD 43.518 . 43.16 0.88 6.8414e-01 11426 1
1 1 1 31 ARG H 8.130 . 8.24 0.61 8.5690e-01 11426 1
1 1 1 31 ARG HA 4.070 . 4.3 0.46 6.1707e-01 11426 1
1 1 1 31 ARG HB2 1.946 . 1.79 0.27 5.6341e-01 11426 1
1 1 1 31 ARG HG2 1.675 . 1.57 0.27 6.9736e-01 11426 1
1 1 1 31 ARG HG3 1.820 . 1.54 0.29 3.3429e-01 11426 1
1 1 1 31 ARG HD2 3.251 . 3.12 0.24 5.8518e-01 11426 1
1 1 1 31 ARG HE 7.513 . 7.4 0.63 8.5765e-01 11426 1
1 1 1 31 ARG N 117.794 . 120.8 3.68 4.1402e-01 11426 1
1 1 1 31 ARG NE 116.575 A 84.63 1.68 1.2843e-80 11426 1
1 1 1 56 ARG C 174.079 . 176.41 2.03 2.5085e-01 11426 1
1 1 1 56 ARG CA 54.993 . 56.77 2.31 4.4174e-01 11426 1
1 1 1 56 ARG CB 34.651 . 30.7 1.83 3.0849e-02 11426 1
1 1 1 56 ARG CG 28.126 . 27.21 1.2 4.4526e-01 11426 1
1 1 1 56 ARG CD 44.014 . 43.16 0.88 3.3182e-01 11426 1
1 1 1 56 ARG H 8.928 . 8.24 0.61 2.5938e-01 11426 1
1 1 1 56 ARG HA 4.487 . 4.3 0.46 6.8436e-01 11426 1
1 1 1 56 ARG HB2 1.308 . 1.79 0.27 7.4231e-02 11426 1
1 1 1 56 ARG HB3 1.437 . 1.76 0.28 2.4868e-01 11426 1
1 1 1 56 ARG HG2 1.427 . 1.57 0.27 5.9637e-01 11426 1
1 1 1 56 ARG HG3 1.565 . 1.54 0.29 9.3130e-01 11426 1
1 1 1 56 ARG HD2 3.072 . 3.12 0.24 8.4148e-01 11426 1
1 1 1 56 ARG HD3 3.287 . 3.1 0.26 4.7200e-01 11426 1
1 1 1 56 ARG HE 7.155 . 7.4 0.63 6.9736e-01 11426 1
1 1 1 56 ARG N 118.218 . 120.8 3.68 4.8291e-01 11426 1
1 1 1 56 ARG NE 117.207 A 84.63 1.68 9.1804e-84 11426 1
1 1 1 69 ARG C 177.941 . 176.41 2.03 4.5074e-01 11426 1
1 1 1 69 ARG CA 58.603 . 56.77 2.31 4.2748e-01 11426 1
1 1 1 69 ARG CB 30.096 . 30.7 1.83 7.4136e-01 11426 1
1 1 1 69 ARG CG 27.362 . 27.21 1.2 8.9920e-01 11426 1
1 1 1 69 ARG CD 42.823 . 43.16 0.88 7.0175e-01 11426 1
1 1 1 69 ARG H 7.699 . 8.24 0.61 3.7514e-01 11426 1
1 1 1 69 ARG HA 4.317 . 4.3 0.46 9.7052e-01 11426 1
1 1 1 69 ARG HB2 2.127 . 1.79 0.27 2.1198e-01 11426 1
1 1 1 69 ARG HB3 2.008 . 1.76 0.28 3.7577e-01 11426 1
1 1 1 69 ARG HG2 1.883 . 1.57 0.27 2.4635e-01 11426 1
1 1 1 69 ARG HG3 1.680 . 1.54 0.29 6.2927e-01 11426 1
1 1 1 69 ARG HD2 3.142 . 3.12 0.24 9.2696e-01 11426 1
1 1 1 69 ARG HD3 3.261 . 3.1 0.26 5.3576e-01 11426 1
1 1 1 69 ARG HE 6.996 . 7.4 0.63 5.2135e-01 11426 1
1 1 1 69 ARG N 120.461 . 120.8 3.68 9.2660e-01 11426 1
1 1 1 69 ARG NE 115.599 A 84.63 1.68 7.0196e-76 11426 1
1 1 1 70 ARG CA 59.274 . 56.77 2.31 2.7837e-01 11426 1
1 1 1 70 ARG CB 30.061 . 30.7 1.83 7.2695e-01 11426 1
1 1 1 70 ARG CG 27.553 . 27.21 1.2 7.7501e-01 11426 1
1 1 1 70 ARG CD 43.185 . 43.16 0.88 9.7734e-01 11426 1
1 1 1 70 ARG CZ 179.490 A 159.97 2.95 3.6669e-11 11426 1
1 1 1 70 ARG H 8.936 . 8.24 0.61 2.5388e-01 11426 1
1 1 1 70 ARG HA 4.097 . 4.3 0.46 6.5899e-01 11426 1
1 1 1 70 ARG HB2 1.783 . 1.79 0.27 9.7932e-01 11426 1
1 1 1 70 ARG HB3 2.114 . 1.76 0.28 2.0613e-01 11426 1
1 1 1 70 ARG HG2 1.544 . 1.57 0.27 9.2329e-01 11426 1
1 1 1 70 ARG HG3 1.693 . 1.54 0.29 5.9779e-01 11426 1
1 1 1 70 ARG HD2 3.164 . 3.12 0.24 8.5454e-01 11426 1
1 1 1 70 ARG HE 7.056 . 7.4 0.63 5.8504e-01 11426 1
1 1 1 70 ARG N 121.402 . 120.8 3.68 8.7006e-01 11426 1
1 1 1 70 ARG NE 113.114 A 84.63 1.68 1.7748e-64 11426 1
1 1 1 75 ARG C 179.681 . 176.41 2.03 1.0711e-01 11426 1
1 1 1 75 ARG CA 59.649 . 56.77 2.31 2.1265e-01 11426 1
1 1 1 75 ARG CB 30.121 . 30.7 1.83 7.5170e-01 11426 1
1 1 1 75 ARG CG 27.581 . 27.21 1.2 7.5719e-01 11426 1
1 1 1 75 ARG CD 43.557 . 43.16 0.88 6.5189e-01 11426 1
1 1 1 75 ARG H 7.868 . 8.24 0.61 5.4197e-01 11426 1
1 1 1 75 ARG HA 4.198 . 4.3 0.46 8.2452e-01 11426 1
1 1 1 75 ARG HB2 2.069 . 1.79 0.27 3.0145e-01 11426 1
1 1 1 75 ARG HG2 1.642 . 1.57 0.27 7.8973e-01 11426 1
1 1 1 75 ARG HG3 1.871 . 1.54 0.29 2.5371e-01 11426 1
1 1 1 75 ARG HD2 3.239 . 3.12 0.24 6.2001e-01 11426 1
1 1 1 75 ARG HD3 3.281 . 3.1 0.26 4.8633e-01 11426 1
1 1 1 75 ARG HE 7.548 . 7.4 0.63 8.1427e-01 11426 1
1 1 1 75 ARG N 119.407 . 120.8 3.68 7.0503e-01 11426 1
1 1 1 75 ARG NE 115.353 A 84.63 1.68 1.0408e-74 11426 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 19 ARG ARG 0.6 11426 1
1 1 1 19 ARG LYS 0.29 11426 1
1 1 1 19 ARG GLY 0.09 11426 1
1 1 1 30 ARG ARG 0.72 11426 1
1 1 1 30 ARG GLY 0.21 11426 1
1 1 1 30 ARG LYS 0.06 11426 1
1 1 1 31 ARG ARG 0.77 11426 1
1 1 1 31 ARG GLY 0.16 11426 1
1 1 1 31 ARG LYS 0.05 11426 1
1 1 1 56 ARG GLY 0.6 11426 1
1 1 1 56 ARG ARG 0.28 11426 1
1 1 1 56 ARG LYS 0.1 11426 1
1 1 1 69 ARG ARG 0.79 11426 1
1 1 1 69 ARG LYS 0.15 11426 1
1 1 1 69 ARG GLY 0.05 11426 1
1 1 1 70 ARG GLY 0.58 11426 1
1 1 1 70 ARG ASP 0.36 11426 1
1 1 1 70 ARG GLN 0.04 11426 1
1 1 1 75 ARG ARG 0.76 11426 1
1 1 1 75 ARG GLY 0.18 11426 1
1 1 1 75 ARG LYS 0.05 11426 1
stop_
save_
save_AVS
_Software.Sf_category software
_Software.Sf_framecode AVS
_Software.Entry_ID 11426
_Software.ID 1
_Software.Name "AutoPeak - validate_assignments"
_Software.Version 2011-12-10
_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 11426 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
"validate protein chemical shift assignments" 11426 1
stop_
loop_
_Software_citation.Citation_ID
_Software_citation.Citation_label
_Software_citation.Entry_ID
_Software_citation.Software_ID
2 $AVS_citation 11426 1
stop_
save_
save_AVS_citation
_Citation.Sf_category citation
_Citation.Sf_framecode AVS_citation
_Citation.Entry_ID 11426
_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_