============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 16 1.000 35.899 55.058 12.483 -99.200 -91.000 HIS 44 0.900 31.926 77.812 5.348 -99.200 -91.000 TYR 47 0.840 31.661 74.964 13.271 -99.200 -91.000 PHE 50 1.000 28.495 79.433 16.466 -99.200 -91.000 TYR 59 0.840 36.135 85.802 24.151 -99.200 -91.000 PHE 66 1.000 33.795 79.443 17.093 -99.200 -91.000 HIS 76 0.900 35.139 67.383 7.332 -99.200 -91.000 TYR 81 0.840 30.232 69.299 -6.145 -99.200 -91.000 TYR 91 0.840 24.437 67.810 -4.639 -99.200 -91.000 TYR 100 0.840 22.144 82.117 20.600 -99.200 -91.000 TYR 115 0.840 23.966 64.619 14.389 -99.200 -91.000 TYR 121 0.840 30.463 63.023 8.623 -99.200 -91.000 PHE 124 1.000 24.688 60.251 6.831 -99.200 -91.000 HIS 138 0.900 39.449 57.805 1.876 -99.200 -91.000 PHE 140 1.000 29.308 59.482 4.124 -99.200 -91.000 HIS 150 0.900 36.851 69.807 12.842 -99.200 -91.000 TYR 154 0.840 34.613 74.259 17.629 -99.200 -91.000 TYR 158 0.840 32.928 76.247 27.947 -99.200 -91.000 PHE 169 1.000 43.499 77.528 16.985 -99.200 -91.000 HIS 170 0.900 50.287 75.461 11.956 -99.200 -91.000 TYR 177 0.840 45.356 66.942 13.209 -99.200 -91.000 HIS 179 0.900 49.118 69.672 16.560 -99.200 -91.000 PHE 184 1.000 51.314 70.125 12.842 -99.200 -91.000 PHE 191 1.000 50.077 58.124 8.811 -99.200 -91.000 PHE 197 1.000 48.550 69.799 8.662 -99.200 -91.000 TYR 200 0.840 42.704 78.508 8.307 -99.200 -91.000