ISOLEUCINE
ILE, I
CHEMICAL STRUCTURE
CHEMICAL SHIFTS
Standard chemical shifts of random extended chain structures:
 
1Ha 13Ca 15Nb
NH: 8.19 
HA: 4.23
HB: 1.90
HG(Me): 0.95
HG(CH2): 1.48, 1.19
HD: 0.89		 CO: 174.8 
CA: 59.6 
CB: 36.9
CG(Me): 15.7
CG(CH2): 25.4
CD: 11.3		 N: 123.2
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:
    SECONDARY STRUCTURE
    Standard average chemical shift values used in determination of secondary structure by means of the CSI method:
    HA: 3.95
    CA: 61.2
    CO: 176.5
    Thus:

              HELIX           B STRAND          COIL
                 CA      CO       CA      CO           CA      CO
                64.7    178.0     59.8    175.0      61.3    176.5

    More info in: 13CA and 13CO chemical shifts according to secondary structure.

    OBSERVATIONS
     
    RELATED TOPICS