SI Table 1. GFT Derived Chemical Shifts

SI Table 1. GFT derived chemical shifts

Peak Assignment / 15N Frequency1 (ppm) / Δδ 15N (ssNMR2-ssGFT) / Δδ 15N (liqNMR3-ssGFT) / 13C’ Frequency4 (ppm) / Δδ 13C’ (ssNMR2-ssGFT) / Δδ 13C’ (liqNMR3-ssGFT)
Q2N-M1C’ / 125.3 / -0.1 / -1.6 / 170.4 / 1.0 / 0.5
Y3N-Q2C’ / 123.6 / -0.3 / 1.1 / 174.9 / 0.2 / 0.0
K4N-Y3C’ / 122.6 / 0.1 / -0.1 / 175.0 / 0.0 / -0.2
L5N-K4C’ / 126.4 / 0.9 / 0.1 / 173.0 / 0.3 / -0.2
I6N-L5C’ / 126.2 / 0.1 / 0.2 / 174.8 / 0.0 / -0.1
L7N-I6C’ / 126.8 / 0.3 / -1.0 / 175.2 / 0.1 / -0.5
N8N-L7C’ / 124.9 / 0.2 / 1.7 / 175.1 / 0.0 / -0.3
G9N-N8C’ / 109.5 / 0.1 / 0.3 / 176.5 / -0.1 / -0.6
K10N-G9C’ / 120.9 / 0.2 / 0.4 / 172.7 / 0.5 / 0.8
T11N-K10C’ / 106.9 / -0.5 / 1.7 / 179.7 / -0.5 / -0.6
L12N-T11C’ / 127.5 / 0.3 / -1.8 / 172.9 / 0.5 / 0.9
K13N-L12C’ / 123.0 / 0.3 / 1.0 / 173.5 / 0.4 / -0.2
G14N-K13C’ / 105.6 / 0.0 / 3.9 / 176.0 / -0.2 / 0.5
E15N-G14C’ / 121.1 / 0.0 / -2.2 / 170.3 / 1.1 / 1.0
T16N-E15C’ / 115.5 / -0.3 / 0.5 / 173.6 / 0.5 / 1.7
T17N-T16C’ / 115.3 / 0.8 / -3.4 / 171.4 / 0.6 / 0.6
T18N-T17C’ / 116.0 / 0.3 / -1.2 / 174.0 / 0.3 / 0.1
E19N-T18C’ / 125.1 / 0.3 / 1.1 / 170.5 / 0.8 / 0.1
A20N-E19C’ / 125.3 / 0.6 / 2.4 / 175.9 / 0.0 / -0.1
V21N-A20C’ / 116.3 / 0.0 / -0.4 / 178.2 / -0.4 / -0.5
D22N-V21C’ / 115.4 / 0.1 / -0.1 / 174.9 / 0.2 / 0.1
A23N-D22C’ / 122.7 / 0.1 / -1.2 / 175.2 / -0.1 / -0.5
A24N-A23C’ / 120.4 / 0.4 / 0.2 / 180.7 / -1.0 / -1.5
T25N-A24C’ / 117.0 / 0.4 / -0.5 / 182.8 / -1.3 / -1.8
A26N-T25C’ / 124.0 / 0.0 / -0.1 / 176.0 / -0.1 / 0.1
E27N-A26C’ / 116.4 / 0.0 / 0.3 / 177.8 / -0.5 / -0.6
K28N-E27C’ / 117.1 / 0.3 / -0.4 / 178.3 / -0.5 / -5.0
V29N-K28 C’ / 118.9 / 0.4 / 1.9 / 179.8 / -0.6 / 0.2
F30N-V29 C’ / 118.4 / 0.3 / 2.4 / 179.7 / -0.7 / 0.2
K31N-F30 C’ / 120.5 / 0.3 / 2.5 / 180.0 / -0.9 / -1.7
Q32N-K31 C’ / 121.0 / 0.3 / -1.3 / 180.6 / -1.0 / -1.0
Y33N-Q32 C’ / 120.7 / 0.3 / 0.4 / 178.2 / -0.6 / -1.1
A34N-Y33 C’ / 122.6 / 0.1 / 0.1 / 179.5 / -0.7 / -0.5
N35N-A34 C’ / 118.0 / 0.2 / -0.3 / 180.5 / -0.9 / -1.2
D36N-N35 C’ / 121.1 / 0.0 / 0.5 / 180.6 / -1.0 / -1.2
N37N-D36 C’ / 114.8 / 0.2 / 0.8 / 176.4 / -0.2 / 0.7
G38N-N37 C’ / 108.3 / 0.1 / -0.1 / 174.0 / 0.3 / 0.0
V39N-G38 C’ / 121.6 / 0.2 / -0.5 / 173.7 / 0.3 / 0.5
D40N-V39 C’ / 130.7 / 0.4 / -2.8 / 175.1 / 0.1 / -1.2
G41N-D40 C’ / 108.0 / 0.1 / -0.7 / 174.9 / 0.0 / -0.5
E42N-G41 C’ / 118.5 / 0.5 / 2.3 / 172.1 / 0.7 / -0.1
W43N-E42 C’ / 124.8 / 0.2 / 3.9 / 178.4 / -0.5 / -1.3
T44N-W43 C’ / 109.1 / 0.1 / 5.9 / 177.7 / -0.3 / -0.7
Y45N-T44 C’ / 118.5 / 0.1 / 2.2 / 173.6 / 0.4 / -0.9
D46N-Y45 C’ / 126.3 / 0.0 / 2.2 / 171.1 / 0.8 / 2.1
D47N-D46 C’ / 123.3 / 0.1 / 1.7 / 175.9 / 0.4 / -1.3
A48N-D47 C’ / 118.7 / 0.3 / 1.4 / 177.8 / -0.3 / 0.3
T49N-A48 C’ / 104.1 / 0.1 / -0.8 / 180.5 / -0.8 / -0.6
K50N-T49 C’ / 119.5 / -0.5 / 3.8 / 176.0 / -0.2 / -0.6
T51N-K50 C’ / 112.0 / 0.0 / -0.7 / 175.5 / 0.0 / -0.4
F52N-T51 C’ / 130.1 / 0.2 / 1.0 / 174.3 / 0.1 / 0.6
T53N-F52 C’ / 112.1 / 0.1 / 5.3 / 176.0 / -0.2 / -1.5
V54N-T53 C’ / 118.3 / 0.1 / 5.3 / 171.4 / 1.2 / 1.2
T55N-V54 C’ / 123.9 / 0.2 / 0.1 / 172.1 / 0.5 / 1.1
E56N-T55 C’ / 131.1 / 0.0 / 3.1 / 174.0 / 0.2 / 0.1
Average / 0.2 ± 0.3 / 0.7 ± 2.0 / 0.0 ± 0.6 / -0.3 ± 1.1

1.  Deconvolved GFT Frequency obtained by taking average of Sum and Difference spectrum.

2.  Comparison with Franks et al, 2005 (Franks et al.) (BMRB #15156)

3.  Comparison with Franks et al, 2005 (Franks et al.) solution chemical shifts

4.  Deconvolved GFT Frequency obtained by measuring the splitting of the Sum and Difference spectra, and adjusting for the effective (folded) carrier.