Supplemental Fig. 1a

Chemical shift (ppm)

12345678910 0

UR

PR

R

FR

Supplemental Fig. 1b

12345678910

UR

PR

R

FR

Chemical shift (ppm)

0

Supplemental Fig. 1c

UR

PR

R

FR

123456789 0 Chemical shift (ppm)

Supplemental Fig. 2a

-1.0

- 0.5

0.0

0.5

1.0

-1.6 -1.2 - 0.8 -0.4 0 0.4 0.8 1.2 1.6

PC

2 (

25.0

%)

PC 1 (53.6%)

UR

R

PR

FR

Supplemental Fig. 2b

UR

R

PR

FR

PC 1 (73.8%)

PC

2 (

11.8

%)

- 0.6

- 0.4

- 0.2

- 0.0

0.2

0.4

0.6

-1.6 -1.4 -1.2 -1.0 - 0.8 - 0.6 - 0.4 - 0.2 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 1.6

Supplemental Fig. 2c

UR

R

PR

FR

PC

2 (

17.2

%)

PC 1 (50.9%)

- 0.3

- 0.2

- 0.1

0.0

0.1

0.2

0.3

- 0.6 - 0.5 - 0.4 - 0.3 - 0.2 - 0.1 0.0 0.1 0.2 0.3 0.4 0.5 0.6