number atom shift 1 P -4.099 2 P -6.613 12 N 85.126 13 N 175.567 14 N 264.029 15 N 258.677 16 N 244.454 17 C 73.357 18 C 96.045 19 C 96.167 20 C 79.682 21 C 37.037 22 C 160.713 23 C 156.390 24 C 127.180 25 C 147.604 26 C 161.005 27 H 8.426 28 H 4.250 29 H 4.515 30 H 0.470 31 H 5.454 32 H 6.215 33 H 5.060 34 H 6.660 35 H 7.361 36 H 5.232 37 H 5.100 38 H 3.288 39 H 5.123 40 H 8.653 41 H 10.107