error during structure calculation

I wonder if it is worth trying to run your XPLOR calculation on NMRbox?
There is a list of VMs running XPLOR-NIH 3.5 here:

It lookes as though the chemical shifts that are being ignored, are the all the i-1 offset ones - you might want to merge them to the main ones. Have a look at this post for how to do this:

But do archive your project first before doing this.

Vicky