3D Peak List in SPARKY Format

ADAPT-NMR provides 3D peak lists in SPARKY format for all the experiments collected in 2D:

HNCO, HN(CO)CA, HNCA, HNCB, CBCA(CO)NH, and HN(CA)CO

It provides both assigned and non-assigned peak lists. The output can be uploaded to SPARKY program from edition or comparison with full 3D spectra. The example shown here represents a portion of the CBCA(CO)NH peak list from the RI-Brazzein protein.

a) Non-assigned peak list

Assignment w1 w2 w3

?-?-? 7.826 32.039 116.080

?-?-? 9.324 29.130 116.029

?-?-? 8.868 36.809 127.984

?-?-? 8.372 58.423 118.945

?-?-? 8.111 28.686 120.113

?-?-? 8.136 32.232 119.999

?-?-? 9.072 52.226 118.013

?-?-? 6.581 40.419 111.959

?-?-? 7.826 59.383 116.080

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b) Assigned peak list

Assignment w1 w2 w3

C16H-K15CB-C16N 7.826 32.039 116.080

N10H-E9CB-N10N 9.324 29.130 116.029

V7H-K6CB-V7N 8.868 36.809 127.984

C24H-Q23CA-C24N 8.372 58.423 118.945

K44H-E43CB-K44N 8.111 28.686 120.113

L30H-K29CB-L30N 8.136 32.232 119.999

E43H-D42CA-E43N 9.072 52.226 118.013

K32H-D31CB-K32N 6.581 40.419 111.959

C16H-K15CA-C16N 7.826 59.383 116.080

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