Amino Acids: Plenylalanine

PHENYLALANINE PHE, F

CHEMICAL STRUCTURE

CHEMICAL SHIFTS

Standard chemical shifts of random extended chain structures:

¹H^a	¹³C^a	¹⁵N^b
NH: 8.23 HA: 4.66 HB: 3.22, 2.99 H2,6: 7.30 H3,5: 7.39 H4: 7.34	CO: 176.0 CA: 57.4 CB: 37.0 C1: 136.2 C2,6: 130.3 C3,5: 130.3 C4: 128.6	N: 120.9

a) from 86BOOK1: b) from 91JMB311-222

More info in:

¹H chemical shifts of amino acids

¹³C chemical shifts of amino acids

Average ¹HA, ¹HN and ¹⁵N chemical shifts in random coil

IDENTIFICATION

Easy spin system identification from:

HA-HB cross-peak in a COSY-DQF experiment.

Typical AMX pattern in a TOCSY experiment.

SECONDARY STRUCTURE

Standard average chemical shift values used in determination of secondary structure by means of the CSI method:
HA: 4.66
CA: 57.9
CO: 175.5
Thus:
          HELIX           B STRAND          COIL
             CA      CO       CA      CO           CA      CO
            60.7    177.7     56.1    173.3      57.8    175.9
More info in: ¹³CA and ¹³CO chemical shifts according to secondary structure.

OBSERVATIONS

RELATED TOPICS