Xeasy peak list format

  
  Important Notes:
  • The intensity (peak height or volume) information is not mandatory, but it is extremely recommended for HNCACB experiment.
  • The headers (started with #) are not required for PINE.
  • PINE will return the result in standard output formats as explained in the output instructions. If you need PINE to return the output format in Xeasy format as well, you should upload your empty prot file (sample) in its related field along with your peak lists. This enables PINE to generate Xeasy format output consisting of assignment of individual peaks according to the Prot file numbers. These files can be directly uploaded in related software for connectivity tracing and possible refinement of assignment.
 
 

 

Example of a Xeasy format 3D peak list (download as a text file)

  
 

 

         # Number of dimensions 3
#INAME 1 1H
#INAME 2 13C
#INAME 3 15N
 269   8.739  58.660 117.280 1 U          2.434e+03  0.00e+00 m   0    0    0    0 0
 270   8.127  54.606 131.974 1 U          1.928e+03  0.00e+00 m   0    0    0    0 0
 271   8.694  54.247 131.717 1 U          2.799e+03  0.00e+00 m   0    0    0    0 0
 272   7.943  62.714 129.837 1 U          3.834e+03  0.00e+00 m   0    0    0    0 0
 273   7.920  56.659 128.408 1 U          1.472e+04  0.00e+00 m   0    0    0    0 0
 274   9.239  58.660 128.144 1 U          3.032e+03  0.00e+00 m   0    0    0    0 0
 275   9.189  53.887 127.284 1 U          2.630e+03  0.00e+00 m   0    0    0    0 0
 276   7.661  57.069 127.125 1 U          4.806e+03  0.00e+00 m   0    0    0    0 0
 278   8.604  54.606 126.467 1 U          4.260e+03  0.00e+00 m   0    0    0    0 0
 281   9.062  54.554 126.825 1 U          1.064e+04  0.00e+00 m   0    0    0    0 0
 282   9.386  57.993 126.065 1 U          3.398e+03  0.00e+00 m   0    0    0    0 0
 283   8.000  62.714 125.755 1 U          4.618e+03  0.00e+00 m   0    0    0    0 0
 284   8.342  62.355 125.379 1 U          3.601e+03  0.00e+00 m   0    0    0    0 0
 285   8.157  55.889 125.551 1 U          1.588e+03  0.00e+00 m   0    0    0    0 0
 286   8.612  55.068 125.258 1 U          4.607e+03  0.00e+00 m   0    0    0    0 0           

.....