. Author manuscript; available in PMC: 2009 May 21.

Published in final edited form as: J Am Chem Soc. 2008 Apr 24;130(20):6381–6387. doi: 10.1021/ja0780277

Table 2.

Spin density values of l-tryptophan and related cation free radicals

Indole atom	L-Tryptophan^a	Tryptamine^a	3-methyl- indole^a	3-methyl- indole^b	Indole^c
C-2	0.18	0.18	0.16	0.19	0.14
C-4	0.19	0.19	0.16	0.25	0.24
C-5	0.05	0.04	0.04	−0.09	−0.04
C-6	0.15	0.15	0.16	0.19	0.17
C-7	0.02	0.02	0.02	0.06	0.13
N-1^d	0.14	0.13	0.14	0.14	0.12

Experimental values determined using Q = 2.8 mT ¹⁹.

Calculated values⁹.

Calculated values¹⁵.

Experimental values determined using Q = 2.8 mT ²⁰.