============================================================================= 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 5 0.840 71.677 -24.600 43.155 -99.200 -91.000 TRP 10 1.040 63.399 -23.438 30.739 -99.200 -91.000 TRP6 10 1.020 61.658 -22.764 32.171 -99.200 -91.000 HIS 11 0.900 59.213 -29.870 27.504 -99.200 -91.000 TYR 17 0.840 50.903 -16.201 23.950 -99.200 -91.000 TYR 22 0.840 52.575 -19.748 28.869 -99.200 -91.000 PHE 43 1.000 53.958 -2.212 30.245 -99.200 -91.000 TYR 59 0.840 41.307 -20.629 34.662 -99.200 -91.000 PHE 76 1.000 60.700 -7.787 35.214 -99.200 -91.000 HIS 83 0.900 45.195 8.358 25.313 -99.200 -91.000 HIS 84 0.900 43.640 0.121 26.460 -99.200 -91.000 PHE 90 1.000 50.468 -9.029 33.390 -99.200 -91.000 TYR 107 0.840 68.611 0.024 32.513 -99.200 -91.000 HIS 113 0.900 60.454 -0.431 40.845 -99.200 -91.000 HIS 116 0.900 60.517 -5.299 41.322 -99.200 -91.000 PHE 128 1.000 65.486 -3.811 41.011 -99.200 -91.000 PHE 138 1.000 48.895 10.152 38.891 -99.200 -91.000 TRP 142 1.040 47.245 -3.396 44.506 -99.200 -91.000 TRP6 142 1.020 45.895 -4.357 42.829 -99.200 -91.000 TYR 146 0.840 52.187 -5.432 47.361 -99.200 -91.000 TRP 159 1.040 55.781 5.875 43.525 -99.200 -91.000 TRP6 159 1.020 55.274 5.745 41.221 -99.200 -91.000 PHE 160 1.000 56.744 12.418 47.054 -99.200 -91.000 TYR 165 0.840 66.467 4.183 44.512 -99.200 -91.000 TRP 191 1.040 65.465 -18.211 45.708 -99.200 -91.000 TRP6 191 1.020 64.625 -16.591 47.202 -99.200 -91.000 PHE 228 1.000 31.187 -25.967 54.679 -99.200 -91.000 TYR 229 0.840 30.963 -25.944 47.936 -99.200 -91.000 PHE 240 1.000 19.322 -30.993 43.984 -99.200 -91.000 PHE 248 1.000 24.002 -28.918 57.169 -99.200 -91.000 PHE 251 1.000 27.992 -33.234 59.298 -99.200 -91.000