2D Peak Lists of Orthogonal and Tilted Planes and
Their Corresponding 3D Peak List Indexes
ADAPT-NMR provides 2D peak lists for all orthogonal and tilted
planes collected for each of the following the experiments:
HNCO, HN(CO)CA, HNCA, HNCB, CBCA(CO)NH, and HN(CA)CO
The
example shown here represents a portion of the 22o plane peak list
for CBCA(CO)NH experiment from the RI-Brazzein protein.
The
first column and the last column are the 2d_peak_id
and the most probable corresponding 3d_peak_id.
They are used to link 2D peaks with
3D peaks, and are particularly useful for any post-processing edition including
manual edition of peak picking and assignment. ADAPT-NMR Enhancer, a
comprehensive visualization and edition tool for ADAPT-NMR will intensively use
these attributes.
w1 and w2 columns represent the position of the
peaks in the 2D plane for 1H, and the mixture of 13C/ 15N
respectively. Notice that because the second dimension is a linear mixture of
15N and 13C, presentation of these values in ppm is meaningless and therefor
raw data point values from the spectra are reported.
The
Height column represents the
intensity of the peak in 2D spectra.
The Priority is an ADAPT-NMR scale for 2D
peaks based on the intensity. Priority 1 is most probably a real peak, priority
2 is less probable, and priority 3 is the least probable to be a real peak vs.
noise or artifact.
Notice
that 90 degree tilted planes are basically 15N-HSQC
experiment.
2d_peak_id w1
w2 Height Priority
3d_peak_id
1
368 556.7 111371.6
1 38
2
272 390.4 89279.6
1 326
3
254 295.7 87745.2
1 439
4
185 309.1 85806.6
1 404
5
273 447.7 84519.5
1 213
6
249 310.4 78846.4
1 56
7
368 294.4 76482.0
1 39
8
334 312.1 73630.0
1 14
9
162 277.6 73185.7
1 325
10
294 255.2 69714.9
1 437
11
240 489.5 68472.1
1 130
12
343 178.8 64399.0
1 36
13
334 250.9 62455.1
1 67
14
388 284.3 59794.4
1 72
...
...
...
115
296 285.6 6050.4
3 421
116
244 227.5 5941.5
3 422
117
337 661.4 5802.3
3 224
118
286 304.3 5646.7
3 445
119
236 260.6 5598.0
3 0
120
337 429.7 5365.4
3 0
121
395 802.7 5259.4
3 424
122
279 367.0 5137.5
3 426