TABLE 2.
Proton chemical shifts (ppm) for NK4-M2GlyR p22 (WT) and NK4-M2GlyR p22 (S22W) in 40% TFE in water
| Residues | NH | CαH | CβH | CγH | Others | ||||
|---|---|---|---|---|---|---|---|---|---|
| WT | |||||||||
| Lys-1 | 4.00 | ||||||||
| Lys-2 | 8.59 | 4.29 | 1.72* | 1.63 | δ 1.28 | ɛ 2.92 | |||
| Lys-3 | 8.31 | 4.26 | 1.71* | 1.62 | δ 1.26 | ɛ 2.92 | |||
| Lys-4 | 8.21 | 4.50 | 1.71* | 1.63 | δ 1.28 | ɛ 2.92 | |||
| Pro-5 | 4.34 | 1.83* | 2.23 | 1.95 | δ 3.51, 3.75 | ||||
| Ala-6 | 8.15 | 4.22 | 1.33 | 3.62 | |||||
| Arg-7 | 8.08 | 4.22 | 1.72 | 1.78* | 1.55 | δ 3.10 | NɛH 7.12 | ||
| Val-8 | 7.80 | 3.97 | 2.00* | 0.76 | 0.87 | ||||
| Gly-9 | 8.08 | 3.86 | 3.86 | ||||||
| Leu-10 | 7.91 | 4.21 | 1.56* | δ 0.82 | |||||
| Gly-11 | 8.28 | 3.87 | 3.87 | ||||||
| Ile-12 | 8.08 | 3.86 | 1.80 | 1.49* | 1.16 | γ 0.87 | δ 0.82 | ||
| Thr-13 | 7.91 | 3.87 | 4.18 | 1.18 | |||||
| Thr-14 | 7.85 | 3.97 | 4.32 | 1.17 | |||||
| Val-15 | 7.78 | 3.60 | 2.11 | 0.84 | .94* | ||||
| Leu-16 | 8.55 | 3.87 | 1.44* | 1.75 | δ 0.75 | ||||
| Thr-17 | 8.03 | 3.87 | 4.27 | 1.15 | |||||
| Met-18 | 8.25 | 4.22 | 2.08* | 2.13 | 2.64 | 2.50 | |||
| Thr-19 | 8.11 | 4.09 | 4.24 | 1.21 | |||||
| Thr-20 | 7.76 | 4.21 | 4.26 | 1.22 | |||||
| Gln-21 | 7.95 | 4.25 | 2.03 | 2.37 | 2.15 | ||||
| Ser-22 | 7.85 | 4.32 | 3.86 | ||||||
| S22W | |||||||||
| Lys-1 | 7.92 | 3.93 | 1.67* | δ 1.40 | ɛ 3.02 | ||||
| Lys-2 | 8.59 | 4.29 | 1.72* | 1.63 | δ 1.38 | ɛ 2.90 | |||
| Lys-3 | 8.31 | 4.25 | 1.71* | 1.63 | δ 1.36 | ɛ 2.91 | |||
| Lys-4 | 8.21 | 4.49 | 1.71* | 1.61 | δ 1.38 | ɛ 2.90 | |||
| Pro-5 | 4.33 | 1.82* | 2.20 | 1.93 | δ 3.72, 3.49 | ||||
| Ala-6 | 8.15 | 4.21 | 3.72 | ||||||
| Arg-7 | 8.07 | 4.22 | 1.73* | 1.53 | δ 3.08 | NɛH 7.09 | |||
| Val-8 | 7.81 | 3.98 | 1.98* | 0.86 | |||||
| Gly-9 | 8.08 | 3.84 | 3.84 | ||||||
| Leu-10 | 7.89 | 4.21 | 1.55* | 1.79 | δ 0.81 | ||||
| Gly-11 | 8.28 | 3.86 | 3.86 | ||||||
| Ile-12 | 8.05 | 3.88 | 1.79 | 1.45* | 1.16 | γ 0.85 | δ 0.78 | ||
| Thr-13 | 7.89 | 3.88 | 1.16 | ||||||
| Thr-14 | 7.82 | 3.88 | 1.15 | ||||||
| Val-15 | 7.73 | 3.61 | 2.08 | 0.93* | 0.83 | ||||
| Leu-16 | 8.40 | 4.00 | 1.40* | 1.70 | δ 0.73 | ||||
| Thr-17 | 7.87 | 4.19 | 1.15 | ||||||
| Met-18 | 8.10 | 4.24 | 2.06* | 2.09 | 2.48* | 2.59 | |||
| Thr-19 | 7.81 | 4.12 | 1.15 | ||||||
| Thr-20 | 7.53 | 4.25 | 1.08 | ||||||
| Gln-21 | 7.82 | 4.25 | 2.17 | 1.85 | |||||
| Trp-22 | 7.75 | 4.63 | 3.20* | 3.29 | Indole-HN | 9.73 | |||
| 2H 7.20 | 4H 7.54 | ||||||||
| 5H 7.01 | 6H 7.08 | ||||||||
| 7H 7.33 | |||||||||
An asterisk corresponds to the hydrogen atom in the stereo chemical position 2, as defined by the IUPAC-IUB Commission on Biochemical Nomenclature (1970).