Hypothetical Projection of 3D Peaks into Orthogonal and Tilted Planes

ADAPT-NMR provides projection of reconstructed 3D peaks into all orthogonal and tilted planes 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 3D CBCA(CO)NH peak list into the 22^o tilted plane from the RI-Brazzein protein.

These lists are particularly useful for any post-processing edition including manual edition of peak picking and comparison of actual 2D peaks with the ideal ones (projection list). ADAPT-NMR Enhancer, a comprehensive visualization and edition tool for ADAPT-NMR will intensively use these attributes.

The first column is the 3d_peak_id.

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 the raw data point values are reported.

3d_peak_id w1 w2

83 329.00 704.08

77 145.00 748.47

53 201.00 506.05

89 262.00 276.08

64 294.00 711.89

51 291.00 659.65

69 176.00 379.36

152 482.00 621.46

82 329.00 291.97

76 145.00 309.66

88 272.00 734.96

92 273.00 447.69

52 201.00 228.16

155 219.00 520.74

151 482.00 385.86

37 343.00 543.22

34 287.00 638.10

102 391.00 573.06

23 254.00 497.35

90 262.00 714.20

63 294.00 255.04

165 94.00 444.53

120 219.00 769.74

20 272.00 881.71

126 228.00 463.80

67 334.00 250.97

111 431.00 420.55

110 206.00 638.79

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