number atom shift 1 P -11.032 2 P -5.377 3 P -6.896 18 N 93.117 19 N 168.806 20 N 236.235 21 C 74.474 22 C 102.306 23 C 91.337 24 C 83.140 25 C 77.500 26 C 162.932 27 C 169.000 28 C 149.428 29 C 96.046 30 H 9.653 31 H 8.761 32 H 4.778 33 H 11.477 34 H 7.323 35 H 3.845 36 H 5.363 37 H 4.861 38 H 5.492 39 H 4.973 40 H 6.710 41 H 5.670 42 H 4.535 43 H 4.764 44 H 9.434 45 H 6.795