Table 1.
δ1H (ppm) | δ15 N (ppm) | residue | R2 (s−1) AP | error (s−1) AP | R2 (s−1) IP | error (s−1) AP | |
---|---|---|---|---|---|---|---|
VAL | 1 | ||||||
8.26 | 117.2 | THR | 2 | 11.1 | 0.4 | ||
8.42 | 123.7 | LYS | 3 | 15.4 | 1.3 | ||
8.43 | 121.8 | LYS | 4 | 23.0 | 6.9 | 19.1 | 1.5 |
8.76 | 122.3 | ALA | 5 | 25.8 | 7.3 | 23.4 | 0.8 |
9.08 | 115.2 | SER | 6 | 38.8 | 5.2 | 17.8 | 0.6 |
9.64 | 116.3 | HIS | 7 | 37.8 | 4.4 | 21.3 | 0.8 |
8.49 | 116.5 | LYS | 8 | 52.9 | 19.1 | 32.8 | 2.2 |
8.13 | 119.5 | ASP | 9 | 35.3 | 5.3 | 16.9 | 0.7 |
8.23 | 118.2 | ALA | 10 | 34.6 | 4.3 | 19.6 | 0.8 |
7.69 | 105.0 | GLY | 11 | 46.8 | 3.9 | 20.0 | 1.4 |
8.19 | 116.3 | TYR | 12 | 36.6 | 3.8 | 29.9 | 1.5 |
8.67 | 124.5 | GLN | 13 | 54.3 | 3.8 | 46.4 | 4.1 |
8.22 | 115.2 | GLU | 14 | 19.4 | 1.1 | ||
7.29 | 112.8 | SER | 15 | 21.9 | 5.8 | 21.6 | 1.0 |
PRO | 16 | ||||||
7.92 | 116.4 | ASN | 17 | 31.2 | 4.4 | 22.8 | 1.1 |
8.17 | 111.6 | GLY | 18 | 43.5 | 5.2 | 25.1 | 1.5 |
8.78 | 126.9 | ALA | 19 | 52.6 | 12.0 | 44.4 | 2.8 |
7.62 | 118.4 | LYS | 20 | 41.8 | 10.9 | 17.8 | 0.8 |
7.47 | 115.9 | ARG | 21 | 38.0 | 2.8 | 44.4 | 3.1 |
9.47 | 131.4 | CYS | 22 | 313.6 | 19.6 | n.o | |
8.62 | 97.5 | GLY | 23 | 60.3 | 6.2 | 48.8 | 6.3 |
8.62 | 109.8 | THR | 24 | 45.9 | 4.1 | 42.0 | 2.8 |
8.36 | 130.0 | CYS | 25 | 65.0 | 5.1 | 44.1 | 7.5 |
9.28 | 131.4 | ARG | 26 | 47.9 | 4.9 | 55.5 | 5.3 |
9.62 | 141.7 | GLN | 27 | 221.0 | 15.1 | n.o | |
7.72 | 123.4 | PHE | 28 | 172.3 | 8.4 | n.o | |
8.19 | 128.2 | ARG | 29 | 39.2 | 5.2 | 44.9 | 3.0 |
PRO | 30 | ||||||
PRO | 31 | ||||||
8.15 | 111.8 | SER | 32 | 43.5 | 5.2 | 25.1 | 1.5 |
7.55 | 114.9 | SER | 33 | 43.4 | 4.3 | 24.2 | 0.8 |
8.55 | 129.0 | CYS | 34 | 37.5 | 3.9 | 42.5 | 3.7 |
8.36 | 126.0 | ILE | 35 | 84.5 | 5.9 | 65.6 | 26 |
8.75 | 127.6 | THR | 36 | 115.0 | 12.3 | n.o | |
7.00 | 149.9 | VAL | 37 | 161.5 | 10.7 | n.o | |
8.61 | 122.8 | GLU | 38 | 43.0 | 4.0 | 24.2 | 0.8 |
8.43 | 115.7 | SER | 39 | 35.2 | 8.3 | 19.7 | 1.0 |
PRO | 40 | ||||||
7.28 | 118.2 | ILE | 41 | 25.4 | 7.5 | 27.7 | 1.3 |
7.84 | 116.4 | SER | 42 | 36.7 | 3.8 | 42.8 | 2.4 |
9.12 | 121.2 | GLU | 43 | 24.1 | 3.4 | 19.2 | 0.5 |
7.98 | 116.8 | ASN | 44 | 25.7 | 5.2 | 27.4 | 1.5 |
7.20 | 102.6 | GLY | 45 | 55.5 | 3.8 | 46.2 | 6.5 |
7.86 | 113.7 | TRP | 46 | 73.1 | 5.0 | 54.8 | 14.8 |
6.47 | 118.9 | CYS | 47 | 182.7 | 11.0 | n.o | |
6.79 | 115.2 | ARG | 48 | 57.9 | 5.3 | 74.0 | 28.6 |
7.74 | 154.7 | LEU | 49 | 168.4 | 12.4 | n.o | |
6.02 | 119.5 | TYR | 50 | 56.6 | 14.3 | n.o | |
5.46 | 119.0 | ALA | 51 | 216.6 | 42.0 | n.o | |
8.33 | 109.7 | GLY | 52 | 39.4 | 4.4 | 23.0 | 1.3 |
8.43 | 120.2 | LYS | 53 | 24.9 | 5.0 | 18.0 | 0.9 |
8.04 | 128.5 | ALA | 54 | 7.7 | 0.3 | ||
8.53 | 124,0 | TRP sc | 46 | 53.1 | 4.2 | 33.9 | 2.1 |
Columns 5–6 refer to values observed with the R2-weighted HSQC-AP experiment, columns 7–8 to values observed with an in-phase HSQC experiment with a single exponential T2 decay prior to INEPT