BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

CTP ()

bmst000220 Theoretical Data

Entry STAR file: bmst000220.str
Generated Data for: CTP
BMRB Entry DOI: doi:10.13018/BMST000220
PDB file: bmst000220

Displaying

Natural Isotopic formula weight:

Theoretically calculated chemical shifts

Shift IDAtom IDValue
1P1-11.032
2P2-5.377
3P3-6.896
4N1893.117
5N19168.806
6N20236.235
7C2174.474
8C22102.306
9C2391.337
10C2483.140
11C2577.500
12C26162.932
13C27169.000
14C28149.428
15C2996.046
16H309.653
17H318.761
18H324.778
19H3311.477
20H347.323
21H353.845
22H365.363
23H374.861
24H385.492
25H394.973
26H406.710
27H415.670
28H424.535
29H434.764
30H449.434
31H456.795

Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773