Table 5.

Proton-proton contacts shorter than 5 Å extracted from the crystal structure [60] of L-Tyrosine·HCl. Intramolecular contacts are shown in bold. The root-sum-square coupling, d_rss, (in kHz, see Eq. (29)) is given in square brackets (¹H nuclei within 5 Å are considered in the summations).

	H7	H8	H2	H3	H5	H4
H7 (βCH2)	-	(2.50; 3.06) (2.93; 3.40) [10.5]	(4.65; >5) (2.31; 3.75) [10.1]	(4.87; > 5) (3.44; 3.52) (3.95; > 5) (4.68; > 5) [4.6]	(2.72; 3.78) (2.80; 2.93) [9.7]	(3.50; 2.33) (4.15; > 5) [10.1]
H8 (αCH)		-	> 5 4.14 4.96 [1.8]	4.75 4.96 [1.5]	2.56 > 5 [7.2]	4.45 4.82 [1.7]
H2 (CHarom)			-	4.29 2.95 4.06 4.30 [5.5]	4.96 2.76 3.19 [6.9]	2.48 4.49 4.68 4.73 [8.2]
H3(CHarom)				-	2.47 4.49 4.78 4.89 [8.3]	4.93 2.84 3.20 3.24 [7.4]
H5 (CHarom)					-	4.28 3.07 4.10 4.89 [4.9]
H4 (CHarom)						-

^aThe distinct ¹H nuclei are tabulated in the order of the corresponding ¹³C resonances (increasing ppm)