data_AVS_bmrb_pdb_report_15765
save_AVS_chem_shift_analysis
_AVS_report.Sf_category AVS_report
_AVS_report.Sf_framecode AVS_chem_shift_analysis
_AVS_report.Entry_ID 15765
_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 6 ALA Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 15765 1
1 1 1 9 HIS Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 15765 1
1 1 1 19 HIS Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 15765 1
1 1 1 24 PRO Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 15765 1
1 1 1 32 PHE Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 15765 1
1 1 1 39 HIS Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 15765 1
1 1 1 49 HIS Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 15765 1
1 1 1 51 PRO Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 15765 1
1 1 1 52 HIS Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 15765 1
1 1 1 62 HIS Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 15765 1
1 1 1 65 HIS Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 15765 1
1 1 1 73 PRO Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 15765 1
1 1 1 79 HIS Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 15765 1
1 1 2 1 HEM UNSUPPORTED . . . . . . . 15765 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 6 ALA H 7.938 . 8.2 0.6 6.6235e-01 15765 1
1 1 1 6 ALA HA 2.662 S 4.26 0.42 1.4194e-04 15765 1
1 1 1 6 ALA HB1 -1.578 A 1.38 0.25 2.6671e-32 15765 1
1 1 1 6 ALA HB2 -1.578 A 1.38 0.25 2.6671e-32 15765 1
1 1 1 6 ALA HB3 -1.578 A 1.38 0.25 2.6671e-32 15765 1
1 1 1 9 HIS H 6.505 . 8.25 0.74 1.8368e-02 15765 1
1 1 1 9 HIS HA 2.781 S 4.62 0.51 3.1109e-04 15765 1
1 1 1 9 HIS HB2 1.956 . 3.12 0.43 6.7899e-03 15765 1
1 1 1 9 HIS HB3 1.861 . 3.11 0.45 5.5107e-03 15765 1
1 1 1 9 HIS HD1 8.607 . 10.14 3.5 6.6139e-01 15765 1
1 1 1 9 HIS HD2 1.101 A 7.08 0.5 5.8965e-33 15765 1
1 1 1 9 HIS HE1 1.309 A 8.08 0.57 1.5227e-32 15765 1
1 1 1 19 HIS H 6.637 . 8.25 0.74 2.9278e-02 15765 1
1 1 1 19 HIS HA 3.768 . 4.62 0.51 9.4803e-02 15765 1
1 1 1 19 HIS HB2 0.573 S 3.12 0.43 3.1563e-09 15765 1
1 1 1 19 HIS HB3 0.797 S 3.11 0.45 2.7474e-07 15765 1
1 1 1 19 HIS HD1 10.802 . 10.14 3.5 8.4998e-01 15765 1
1 1 1 19 HIS HD2 0.139 A 7.08 0.5 8.1439e-44 15765 1
1 1 1 19 HIS HE1 0.867 A 8.08 0.57 1.0580e-36 15765 1
1 1 1 24 PRO HA 2.264 S 4.41 0.36 2.5053e-09 15765 1
1 1 1 24 PRO HB2 1.035 . 2.05 0.39 9.2530e-03 15765 1
1 1 1 24 PRO HB3 -0.717 A 2.05 0.39 1.2947e-12 15765 1
1 1 1 24 PRO HG2 1.116 . 1.93 0.36 2.3752e-02 15765 1
1 1 1 24 PRO HG3 -0.673 S 1.92 0.37 2.4156e-12 15765 1
1 1 1 24 PRO HD2 2.985 . 3.64 0.36 6.8844e-02 15765 1
1 1 1 24 PRO HD3 1.977 S 3.63 0.4 3.5884e-05 15765 1
1 1 1 32 PHE H 8.247 . 8.42 0.74 8.1515e-01 15765 1
1 1 1 32 PHE HA 5.401 . 4.62 0.58 1.7812e-01 15765 1
1 1 1 32 PHE HB2 4.178 . 2.99 0.37 1.3236e-03 15765 1
1 1 1 32 PHE HB3 3.657 . 2.97 0.38 7.0623e-02 15765 1
1 1 1 32 PHE HD1 8.026 A 6.91 0.82 1.7352e-01 15765 1
1 1 1 32 PHE HE1 7.815 . 6.95 0.82 2.9148e-01 15765 1
1 1 1 32 PHE HE2 7.818 . 6.94 0.86 3.0729e-01 15765 1
1 1 1 32 PHE HZ 7.690 . 6.92 0.8 3.3580e-01 15765 1
1 1 1 39 HIS H 7.195 . 8.25 0.74 1.5396e-01 15765 1
1 1 1 39 HIS HA 3.167 . 4.62 0.51 4.3854e-03 15765 1
1 1 1 39 HIS HB2 1.800 . 3.12 0.43 2.1423e-03 15765 1
1 1 1 39 HIS HB3 1.717 . 3.11 0.45 1.9644e-03 15765 1
1 1 1 39 HIS HD1 9.543 . 10.14 3.5 8.6456e-01 15765 1
1 1 1 39 HIS HD2 1.275 A 7.08 0.5 3.6662e-31 15765 1
1 1 1 39 HIS HE1 1.553 A 8.08 0.57 2.3278e-30 15765 1
1 1 1 49 HIS H 6.197 . 8.25 0.74 5.5317e-03 15765 1
1 1 1 49 HIS HA 1.562 A 4.62 0.51 2.0214e-09 15765 1
1 1 1 49 HIS HB2 1.125 S 3.12 0.43 3.4919e-06 15765 1
1 1 1 49 HIS HB3 0.926 S 3.11 0.45 1.2140e-06 15765 1
1 1 1 49 HIS HD1 8.777 . 10.14 3.5 6.9696e-01 15765 1
1 1 1 49 HIS HD2 0.153 A 7.08 0.5 1.2032e-43 15765 1
1 1 1 49 HIS HE1 1.225 A 8.08 0.57 2.5844e-33 15765 1
1 1 1 51 PRO HA 3.694 . 4.41 0.36 4.6714e-02 15765 1
1 1 1 51 PRO HB2 1.695 . 2.05 0.39 3.6269e-01 15765 1
1 1 1 51 PRO HB3 -0.896 A 2.05 0.39 4.2259e-14 15765 1
1 1 1 51 PRO HG2 1.476 . 1.93 0.36 2.0727e-01 15765 1
1 1 1 51 PRO HG3 0.531 S 1.92 0.37 1.7400e-04 15765 1
1 1 1 51 PRO HD2 1.761 S 3.64 0.36 1.7946e-07 15765 1
1 1 1 51 PRO HD3 2.768 . 3.63 0.4 3.1162e-02 15765 1
1 1 1 52 HIS H 6.170 . 8.25 0.74 4.9417e-03 15765 1
1 1 1 52 HIS HA 2.763 S 4.62 0.51 2.7140e-04 15765 1
1 1 1 52 HIS HB2 1.832 . 3.12 0.43 2.7413e-03 15765 1
1 1 1 52 HIS HB3 1.321 S 3.11 0.45 7.0215e-05 15765 1
1 1 1 52 HIS HD1 6.962 . 10.14 3.5 3.6388e-01 15765 1
1 1 1 52 HIS HD2 0.897 A 7.08 0.5 3.9921e-35 15765 1
1 1 1 52 HIS HE1 1.323 A 8.08 0.57 2.0422e-32 15765 1
1 1 1 62 HIS H 7.267 . 8.25 0.74 1.8405e-01 15765 1
1 1 1 62 HIS HA 3.031 . 4.62 0.51 1.8352e-03 15765 1
1 1 1 62 HIS HB2 1.503 S 3.12 0.43 1.6960e-04 15765 1
1 1 1 62 HIS HB3 1.639 . 3.11 0.45 1.0797e-03 15765 1
1 1 1 62 HIS HD1 9.817 . 10.14 3.5 9.2647e-01 15765 1
1 1 1 62 HIS HD2 0.849 A 7.08 0.5 1.2031e-35 15765 1
1 1 1 62 HIS HE1 1.322 A 8.08 0.57 1.9998e-32 15765 1
1 1 1 65 HIS H 7.148 . 8.25 0.74 1.3644e-01 15765 1
1 1 1 65 HIS HA 2.937 S 4.62 0.51 9.6685e-04 15765 1
1 1 1 65 HIS HB2 1.152 S 3.12 0.43 4.7227e-06 15765 1
1 1 1 65 HIS HB3 1.558 S 3.11 0.45 5.6290e-04 15765 1
1 1 1 65 HIS HD1 8.629 . 10.14 3.5 6.6595e-01 15765 1
1 1 1 65 HIS HD2 0.837 A 7.08 0.5 8.9018e-36 15765 1
1 1 1 65 HIS HE1 1.160 A 8.08 0.57 6.4549e-34 15765 1
1 1 1 73 PRO HA 4.419 . 4.41 0.36 9.8006e-01 15765 1
1 1 1 73 PRO HB2 2.193 . 2.05 0.39 7.1387e-01 15765 1
1 1 1 73 PRO HB3 2.336 . 2.05 0.39 4.6336e-01 15765 1
1 1 1 73 PRO HG2 -1.125 A 1.93 0.36 2.1367e-17 15765 1
1 1 1 73 PRO HG3 0.123 S 1.92 0.37 1.1932e-06 15765 1
1 1 1 73 PRO HD2 2.554 . 3.64 0.36 2.5557e-03 15765 1
1 1 1 73 PRO HD3 2.456 . 3.63 0.4 3.3355e-03 15765 1
1 1 1 79 HIS H 7.043 . 8.25 0.74 1.0287e-01 15765 1
1 1 1 79 HIS HA 3.437 . 4.62 0.51 2.0362e-02 15765 1
1 1 1 79 HIS HB2 1.181 S 3.12 0.43 6.5041e-06 15765 1
1 1 1 79 HIS HB3 1.324 S 3.11 0.45 7.2209e-05 15765 1
1 1 1 79 HIS HD1 8.803 . 10.14 3.5 7.0246e-01 15765 1
1 1 1 79 HIS HD2 0.771 A 7.08 0.5 1.6803e-36 15765 1
1 1 1 79 HIS HE1 1.221 A 8.08 0.57 2.3738e-33 15765 1
stop_
save_
save_AVS
_Software.Sf_category software
_Software.Sf_framecode AVS
_Software.Entry_ID 15765
_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 15765 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
"validate protein chemical shift assignments" 15765 1
stop_
loop_
_Software_citation.Citation_ID
_Software_citation.Citation_label
_Software_citation.Entry_ID
_Software_citation.Software_ID
2 $AVS_citation 15765 1
stop_
save_
save_AVS_citation
_Citation.Sf_category citation
_Citation.Sf_framecode AVS_citation
_Citation.Entry_ID 15765
_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_