Table 1.
Cystatin | Swiss- Prot |
# amino acids |
Modification | Measured average mass (Da) |
Calculated monoisotopic mass after modification (Da) |
Experimental monoisotopic mass (FTMS) (Da) |
Delta (Da) |
Delta RMSa | (ppm)(ppm) |
---|---|---|---|---|---|---|---|---|---|
S | P01036 | 121 | 1-20 removed, 2 disulfide bonds |
14186 | 14175.8005 | 14175.8569 | 0.0564 | 3.98 | 3.69 |
S1 | P01036 | 121 | 1-20 removed, 2 disulfide bonds, phosphorylation |
14266 | 14255.7668 | 14255.8567 | 0.0899 | 6.30 | 4.26 |
S2 | P01036 | 121 | 1-20 removed, 2 disulfide bonds, 2 phosphorylation |
14346 | 14335.7335 | 14335.8110 | 0.0775 | 5.40 | 4.75 |
SA | P09228 | 121 | 1-20 removed, 2 disulfide bonds |
14347 | 14337.0014 | 14336.9856 | 0.0158 | 1.10 | 6.55 |
SN | P01037 | 121 | 1-20 removed, 2 disulfide bonds |
14313 | 14303.2228 | 14303.1553 | 0.0675 | 4.72 | 5.00 |
SN (SNP) |
P01037 | 121 | 1-20 removed, 2 disulfide bonds, rs2070856 (P31L) |
14328 | 14319.1187 | 14319.171b | 0.0523 | 3.65 b | 7.07 b |
C | P01034 | 120 | 1-26 removed, 2 disulfide bonds |
13345 | 13334.5969 | 13334.5829 | 0.0140 | 1.05 | 3.90 |
D (SNP) | P28325 | 114 | 1-28 removed, 2 disulfide bonds, rs1799841 (C46R) |
13165 | 13154.4776 | 13154.4675 | 0.0101 | 0.77 | 2.47 |
D (SNP) | P28325 | 118 | 1-24 removed, 2 disulfide bonds, rs1799841 (C46R) |
NDc | 13596.7064 | 13596.7015 | 0.0049 | 0.36 | 0.35 |
Root mean square of error on product ion assignments (within 10 ppm tolerance).
Values taken from reference 26.
Detected by FT-ICR-MS only