{"id":"W2070471621","doi":"10.1021/ja807796a","title":"Accurate Measurement of Alpha Proton Chemical Shifts of Excited Protein States by Relaxation Dispersion NMR Spectroscopy","year":2009,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Protein Structure and Dynamics","field":"Biochemistry, Genetics and Molecular Biology","cited_by":74,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"","keywords":"Chemistry; Homonuclear molecule; Chemical shift; Conformational isomerism; Excited state; Nuclear magnetic resonance spectroscopy; Relaxation (psychology); Proton; Spectroscopy; Dispersion (optics); Chemical physics; Molecule; Scalar (mathematics); Heteronuclear molecule; Computational chemistry; Molecular physics; Atomic physics; Physical chemistry; Stereochemistry; Physics; Organic chemistry; Quantum mechanics","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.001034365,0.0005461344,0.0004267962,0.0005280134,0.0003110799,0.0005755424,0.0006574634,0.0007124331,0.0007662442],"category_scores_gemma":[0.001896393,0.0003360675,0.0001568791,0.0004868159,0.0006003701,0.0007774227,0.0004780033,0.001082206,0.0003497323],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004460502,"about_ca_system_score_gemma":0.0004467359,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008364752,"about_ca_topic_score_gemma":0.001461013,"domain_scores_codex":[0.9995129,0.0001069336,0.00002589014,0.000126941,0.0001798905,0.00004747244],"domain_scores_gemma":[0.9991087,0.0004088554,0.0001730054,0.0001244055,0.0001345332,0.00005031159],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00003370345,0.00001047945,0.0002773551,0.00002842314,0.000003385213,0.00001585699,0.000029383,0.0001950111,0.9940066,0.0002430892,0.00004921951,0.005107458],"study_design_scores_gemma":[0.000008806717,0.00009520457,0.001575969,0.000007315648,0.000007910417,0.00006728692,0.00002659512,0.004924255,0.9917996,0.0003312066,0.001140398,0.00001555815],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.6953773,0.002066133,0.2971368,0.0002444612,0.00005979863,0.0001024134,0.0007653327,0.0009728819,0.003275037],"genre_scores_gemma":[0.7944556,0.002683588,0.1990388,0.0001061549,0.0000337313,0.0001944745,0.0009408071,0.000142658,0.002404227],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001034365,"threshold_uncertainty_score":0.005470276,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005778898078279955,"score_gpt":0.2428825667899357,"score_spread":0.2371036687116558,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}