============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 4 0.840 29.412 2.851 32.359 -99.200 -91.000 TYR 8 0.840 13.634 1.514 28.845 -99.200 -91.000 PHE 9 1.000 8.690 3.217 31.647 -99.200 -91.000 TRP 29 1.040 23.939 -2.715 32.600 -99.200 -91.000 TRP6 29 1.020 24.920 -4.335 31.183 -99.200 -91.000 TRP 39 1.040 6.175 6.909 33.789 -99.200 -91.000 TRP6 39 1.020 8.295 7.930 34.016 -99.200 -91.000 TYR 50 0.840 15.043 16.622 27.422 -99.200 -91.000 PHE 56 1.000 24.331 4.986 31.252 -99.200 -91.000 TYR 64 0.840 17.029 12.414 32.755 -99.200 -91.000 HIS 72 0.900 29.051 9.352 28.717 -99.200 -91.000 TYR 80 0.840 30.654 9.302 18.159 -99.200 -91.000 TYR 104 0.840 9.596 -1.820 16.379 -99.200 -91.000 TYR 109 0.840 5.099 1.298 22.743 -99.200 -91.000 TYR 112 0.840 1.246 -4.773 15.725 -99.200 -91.000 TYR 119 0.840 7.127 -0.272 10.191 -99.200 -91.000 PHE 130 1.000 19.773 1.703 8.206 -99.200 -91.000 PHE 143 1.000 33.212 -4.423 13.164 -99.200 -91.000 PHE 151 1.000 27.138 6.137 18.330 -99.200 -91.000 TYR 154 0.840 27.824 -2.809 20.245 -99.200 -91.000 HIS 163 0.900 12.258 -2.824 12.029 -99.200 -91.000 PHE 174 1.000 16.962 -5.182 2.124 -99.200 -91.000 TYR 180 0.840 25.818 -5.265 10.802 -99.200 -91.000 PHE 193 1.000 22.765 -8.388 27.173 -99.200 -91.000 TYR 199 0.840 18.222 -9.579 24.089 -99.200 -91.000