# mol_name    res_num    res_name    spin_num    spin_name    PCSs                    PCS_error    
fancy_mol     0          GLY         1           N               3.517239090816979    None         
fancy_mol     0          GLY         2           H               4.446800229993385    None         
fancy_mol     1          GLY         3           N              -1.566014639948689    None         
fancy_mol     1          GLY         4           H              -1.516571874204474    None         
fancy_mol     2          GLY         5           N              -4.279423135558279    None         
fancy_mol     2          GLY         6           H              -5.194956458672402    None         
fancy_mol     3          GLY         7           N               0.356355902330968    None         
fancy_mol     3          GLY         8           H               0.395889284173577    None         
fancy_mol     4          GLY         9           N              -2.083853653656230    None         
fancy_mol     4          GLY         10          H              -2.548315967199689    None         
fancy_mol     5          GLY         11          N              -0.207017839027144    None         
fancy_mol     5          GLY         12          H              -0.168344320351883    None         
fancy_mol     6          GLY         13          N              -0.353465020438716    None         
fancy_mol     6          GLY         14          H              -0.394157316357051    None         
fancy_mol     7          GLY         15          N               1.499093568883347    None         
fancy_mol     7          GLY         16          H               0.203905319235307    None         
fancy_mol     8          GLY         17          N               1.070090589092676    None         
fancy_mol     8          GLY         18          H               0.996841613002720    None         
fancy_mol     9          GLY         19          N              -5.290681898801728    None         
fancy_mol     9          GLY         20          H              -4.664889281923594    None         
fancy_mol     10         GLY         21          N              -1.669256494430270    None         
fancy_mol     10         GLY         22          H              -1.681387701254227    None         
fancy_mol     11         GLY         23          N               2.497894949974841    None         
fancy_mol     11         GLY         24          H               2.083740960893368    None         
fancy_mol     12         GLY         25          N              -0.917404110679639    None         
fancy_mol     12         GLY         26          H              -0.940801974897010    None         
fancy_mol     13         GLY         27          N               0.210223178555607    None         
fancy_mol     13         GLY         28          H               0.104752742432137    None         
