============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 3 1.000 79.136 -20.092 43.422 -99.200 -91.000 PHE 10 1.000 77.716 -17.205 33.106 -99.200 -91.000 TYR 14 0.840 81.212 -12.577 31.200 -99.200 -91.000 PHE 30 1.000 114.156 -31.121 26.905 -99.200 -91.000 TYR 61 0.840 118.458 -24.253 39.703 -99.200 -91.000 PHE 79 1.000 101.863 -13.875 45.119 -99.200 -91.000 TYR 91 0.840 110.010 -24.343 54.184 -99.200 -91.000 TYR 111 0.840 93.197 -9.893 43.859 -99.200 -91.000 TYR 114 0.840 87.912 -12.389 50.371 -99.200 -91.000 TYR 120 0.840 95.691 -11.076 39.905 -99.200 -91.000 PHE 126 1.000 104.032 -20.238 37.423 -99.200 -91.000 PHE 137 1.000 103.040 -28.155 38.389 -99.200 -91.000 TYR 148 0.840 98.300 -29.306 31.193 -99.200 -91.000 PHE 163 1.000 102.244 -30.570 15.236 -99.200 -91.000 TYR 168 0.840 104.927 -34.857 24.602 -99.200 -91.000 TYR 209 0.840 114.070 -22.599 32.563 -99.200 -91.000 TYR 212 0.840 117.169 -23.171 22.548 -99.200 -91.000 PHE 220 1.000 115.949 -25.811 16.915 -99.200 -91.000