File upload

Define your experimental data in this section. More then one file can be uploaded, each file representing data measured at different magnetic field. If data were measured at multiple field strengths, the residue types and numbers will be compared and chemical shift differences fitted globally to calculate kinetic parameters.

The input-file should have the following format:
1st line Value of the B0 field for the nuclei of interest in MHz (e.g. 60.12).
2nd line Value of the constant relaxation time for the CPMG experiment in seconds (e.g. 0.04).
3rd line Comment line. In the example file, we described the data format (e.g. #nu_cpmg(Hz) R2(1/s) Esd(R2)).
> 3rd line The first line of the block defines the residue type and number and optionally the intrinsic relaxation rate R20 from HEROINE experiment.
The following lines contain the CPMG frequencies (Vcpmg, s-1), relaxation rates (R2efexp, s-1) and errors in relaxation rates (Oexp, s-1).

Example file

CPMG

60.12
0.040000
#nu_cpmg(Hz)        R2(1/s)      Esd(R2)
# A1
  50.000   37.060    0.746
 100.000   38.590    0.738
 200.000   37.794    0.725
 300.000   34.686    0.700
 400.000   32.837    0.639
 500.000   27.971    0.583
 600.000   27.488    0.541
 700.000   26.366    0.510
 800.000   23.926    0.488
 900.000   23.141    0.472
1000.000   22.697    0.459
# B2
  50.000   32.844    0.656
 100.000   32.088    0.639
 200.000   30.126    0.593
...

CPMG+HEROINE

60.12
0.040000
#nu_cpmg(Hz)        R2(1/s)      Esd(R2)
# A1   R2_0:   20.000
  50.000   37.060    0.746
 100.000   38.590    0.738
 200.000   37.794    0.725
 300.000   34.686    0.700
 400.000   32.837    0.639
 500.000   27.971    0.583
 600.000   27.488    0.541
 700.000   26.366    0.510
 800.000   23.926    0.488
 900.000   23.141    0.472
1000.000   22.697    0.459
# B2   R2_0:   20.000
  50.000   32.844    0.656
 100.000   32.088    0.639
 200.000   30.126    0.593
...