ATTO655 and Sulfonatocalix[4]arene interaction studied by solution NMR

This upload contains: assignment_2D_HSQC_ATTO655-sCX4_1-2.pdf: Hand written document with assignments plotted on HSQC spectrum assignment_ppm.pdf: Structure with ppm assignments annotated hand-written ATTO655.pdb: Structure file (.pdb) generated by the Automated Topology Builder [https://atb.uq.edu.au/molecule.py?molid=1965133] ATTO655_CSP_asBfactor.pdb: Structure file (.pdb) generated by the Automated Topology Builder with 1H shift changes in HSQCs (ATTO655 alone / ATTO655:sCX4 2:1) deposited in the B-factor column ATTO655_NOESY_asBfactor.pdb: Structure file (.pdb) generated by the Automated Topology Builder with normalized NOESY integrals deposited in the B-factor column [see also NOESY_intensities.ods] ATTO655_NMRdata_CCPNproject.tar.gz: Archive containing raw+processed NMR data (Bruker format) as well as the CCPN3 AnalysisAssign project used for assignment ATTO655_sCX4_structures.pdf: Lewis structures of ATTO655 and sulfonatocalix[4]arene with atom numbering measurements_list.csv: Comma-Separated Values file containing a list of uploaded NMR data measurements_list.ods: OpenDocument spreadsheet containing a list of uploaded NMR data merged_assignments.csv: Comma-Separated Values file containing all assignments of ATTO655 merged_assignments.ods: OpenDocument spreadsheet containing all assignments of ATTO655 NOESY_intensities.ods: OpenDocument spreadsheet used to calculate NOESY integrals normalized to the number of participating 1H atoms