============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 13 0.840 -22.729 28.656 -68.236 -99.200 -91.000 TYR 16 0.840 -29.008 29.665 -82.166 -99.200 -91.000 TYR 24 0.840 -40.124 31.763 -86.623 -99.200 -91.000 PHE 29 1.000 -32.184 32.443 -78.199 -99.200 -91.000 TYR 32 0.840 -27.696 27.797 -64.077 -99.200 -91.000 PHE 46 1.000 -38.102 39.650 -65.210 -99.200 -91.000 TYR 48 0.840 -38.254 35.794 -69.926 -99.200 -91.000 TYR 58 0.840 -19.239 35.687 -72.203 -99.200 -91.000 TRP 67 1.040 -16.383 49.366 -70.717 -99.200 -91.000 TRP6 67 1.020 -15.720 47.309 -69.740 -99.200 -91.000 HIS 77 0.900 -29.445 53.124 -69.442 -99.200 -91.000 TYR 90 0.840 -11.492 43.796 -58.119 -99.200 -91.000 PHE 98 1.000 -21.121 42.278 -63.038 -99.200 -91.000 PHE 102 1.000 -25.702 33.255 -62.925 -99.200 -91.000 TYR 111 0.840 -2.690 14.751 -66.670 -99.200 -91.000 TYR 131 0.840 2.336 23.538 -67.052 -99.200 -91.000 PHE 142 1.000 -5.088 33.319 -61.571 -99.200 -91.000 PHE 143 1.000 -2.284 29.702 -64.597 -99.200 -91.000 TYR 151 0.840 -1.179 29.767 -59.081 -99.200 -91.000 TRP 155 1.040 2.879 34.340 -68.598 -99.200 -91.000 TRP6 155 1.020 1.288 33.776 -70.264 -99.200 -91.000 PHE 157 1.000 5.737 23.998 -70.054 -99.200 -91.000 TYR 182 0.840 -2.526 20.876 -73.235 -99.200 -91.000 TYR 193 0.840 -21.557 20.800 -70.589 -99.200 -91.000 TYR 213 0.840 -19.537 31.938 -64.594 -99.200 -91.000 TYR 223 0.840 -36.556 45.160 -63.217 -99.200 -91.000 HIS 241 0.900 -27.477 20.457 -55.560 -99.200 -91.000 TRP 247 1.040 -30.093 23.313 -67.875 -99.200 -91.000 TRP6 247 1.020 -30.735 22.902 -70.132 -99.200 -91.000 TRP 248 1.040 -22.138 22.108 -65.502 -99.200 -91.000 TRP6 248 1.020 -23.431 24.078 -65.789 -99.200 -91.000