============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 2 1.000 102.411 58.955 56.703 -99.200 -91.000 TRP 3 1.040 100.831 59.946 49.233 -99.200 -91.000 TRP6 3 1.020 98.745 60.278 48.166 -99.200 -91.000 HIS 23 0.900 107.575 45.170 55.848 -99.200 -91.000 PHE 29 1.000 103.834 51.293 49.814 -99.200 -91.000 TYR 49 0.840 98.060 41.209 45.650 -99.200 -91.000 PHE 67 1.000 72.235 42.314 78.533 -99.200 -91.000 PHE 82 1.000 65.700 50.553 71.825 -99.200 -91.000 TYR 95 0.840 58.442 42.923 86.939 -99.200 -91.000 TYR 99 0.840 55.366 38.855 77.092 -99.200 -91.000 TYR 102 0.840 61.853 45.087 90.077 -99.200 -91.000 TYR 121 0.840 66.288 27.526 73.158 -99.200 -91.000 PHE 126 1.000 71.902 26.800 69.929 -99.200 -91.000 TYR 130 0.840 77.407 25.252 69.214 -99.200 -91.000 TYR 138 0.840 78.355 34.397 83.653 -99.200 -91.000 HIS 148 0.900 68.651 41.843 94.859 -99.200 -91.000 TYR 174 0.840 61.627 38.121 75.358 -99.200 -91.000 TRP 178 1.040 65.254 34.013 74.193 -99.200 -91.000 TRP6 178 1.020 66.651 33.038 72.539 -99.200 -91.000 PHE 181 1.000 68.348 32.837 80.757 -99.200 -91.000 TYR 191 0.840 86.878 34.435 68.169 -99.200 -91.000 PHE 203 1.000 104.776 46.908 46.105 -99.200 -91.000 PHE 214 1.000 82.077 25.608 69.325 -99.200 -91.000 TRP 217 1.040 80.347 33.597 73.564 -99.200 -91.000 TRP6 217 1.020 79.765 35.814 72.983 -99.200 -91.000 HIS 247 0.900 97.436 58.205 55.995 -99.200 -91.000 PHE 248 1.000 98.933 66.358 54.122 -99.200 -91.000