============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 17 1.000 56.085 35.104 12.183 -99.200 -91.000 TYR 22 0.840 58.175 30.169 10.662 -99.200 -91.000 TYR 44 0.840 63.804 49.998 11.958 -99.200 -91.000 PHE 45 1.000 62.115 43.718 14.359 -99.200 -91.000 PHE 52 1.000 58.687 31.990 15.485 -99.200 -91.000 PHE 58 1.000 56.708 33.443 24.536 -99.200 -91.000 PHE 66 1.000 54.366 35.140 35.271 -99.200 -91.000 PHE 79 1.000 46.616 35.347 30.606 -99.200 -91.000 TYR 86 0.840 45.317 38.537 16.601 -99.200 -91.000 PHE 95 1.000 46.859 27.103 20.092 -99.200 -91.000 TYR 110 0.840 54.160 29.874 27.754 -99.200 -91.000 HIS 146 0.900 28.347 30.801 20.115 -99.200 -91.000 HIS 157 0.900 31.457 32.241 39.650 -99.200 -91.000 TYR 158 0.840 39.667 30.383 35.492 -99.200 -91.000