alfa-synuclein spectra for the paper "Linear discriminant analysis reveals hidden patterns in NMR chemical shifts of intrinsically disordered proteins"

The experimental data for the paper "Linear discriminant analysis reveals hidden patterns in NMR chemical shifts of intrinsically disordered proteins" - four spectra of an intrinsically disordered protein alfa-synuclein: 3D HNCO 4D HabCab(CO)NH 4D (H)N(CA)CONH 4D HNCACO All spectra were acquired using non-uniform sampling (schedules included as 'schedule.txt' files in a format of 'Kozminski' method in VnmrJ). 3D spectrum (HNCO_nuFT.ucsf) was processed using multidimensional Fourier transform (http://nmr.cent3.uw.edu.pl/software, program 'toastd'). Additionally, we provide a spectrum cleaned of NUS artifacts (HNCO_artifacts_cleaned.ucsf) using program handy (http://nmr.cent3.uw.edu.pl/software, program 'handy'). 4D spectra were processed using sparse multidimensional Fourier transform (http://nmr.cent3.uw.edu.pl/software, program 'reduced'), based on a HNCO peak list ('peak.list' file). Files with processing parameters are included as 'parameters.txt' files. The resulting spectra are included as Sparky .ucsf files. The files for 4D spectra are the collections of 2D cross-sections with the cross-section number corresponding to the numbering of HNCO peaks in the 'peak.list' file. The folder 'Application2_assignment_transfer' contains Sparky 'ucsf' and 'save' files of the two-dimensional NH projection of the HNCO spectrum with the experimental (HSQC_exp.list) and BMRB (HSQC_bmrb.list) peak lists read into the spectrum. The experimental peaks are marked with arbitrary numbers and BMRB peaks - with names of the preceding aa-residues. The correct assignment is shown in the file 'assignment.txt'.