============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 6 1.000 55.944 61.271 3.574 -99.200 -91.000 PHE 8 1.000 59.754 69.315 7.907 -99.200 -91.000 TYR 24 0.840 64.594 89.702 11.158 -99.200 -91.000 PHE 30 1.000 54.039 86.897 6.569 -99.200 -91.000 TYR 47 0.840 60.088 78.380 -20.508 -99.200 -91.000 PHE 63 1.000 44.110 83.395 -9.014 -99.200 -91.000 PHE 104 1.000 68.818 82.244 6.049 -99.200 -91.000 PHE 120 1.000 72.317 82.243 1.834 -99.200 -91.000 PHE 124 1.000 57.216 76.345 3.056 -99.200 -91.000 TYR 125 0.840 61.680 75.399 4.887 -99.200 -91.000 PHE 128 1.000 57.193 76.824 10.112 -99.200 -91.000 TYR 146 0.840 48.027 63.749 -2.802 -99.200 -91.000 TRP 148 1.040 54.660 69.340 3.360 -99.200 -91.000 TRP6 148 1.020 55.245 71.200 4.717 -99.200 -91.000 PHE 156 1.000 57.153 66.147 5.254 -99.200 -91.000 PHE 176 1.000 46.009 76.498 10.403 -99.200 -91.000 TYR 184 0.840 52.300 90.605 9.825 -99.200 -91.000 HIS 197 0.900 59.846 95.643 2.296 -99.200 -91.000 PHE 200 1.000 60.120 97.367 -10.154 -99.200 -91.000 TYR 203 0.840 52.709 86.140 -12.963 -99.200 -91.000