============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 23 0.840 -37.814 6.880 -54.071 -99.200 -91.000 TRP 33 1.040 -48.333 0.466 -58.146 -99.200 -91.000 TRP6 33 1.020 -47.897 2.779 -58.054 -99.200 -91.000 PHE 54 1.000 -46.199 -1.204 -49.527 -99.200 -91.000 HIS 56 0.900 -52.907 -6.006 -46.945 -99.200 -91.000 TYR 64 0.840 -40.930 -13.633 -50.713 -99.200 -91.000 PHE 69 1.000 -38.184 -18.076 -52.141 -99.200 -91.000 TYR 77 0.840 -52.198 -0.746 -36.832 -99.200 -91.000 PHE 80 1.000 -59.713 -1.140 -42.893 -99.200 -91.000 PHE 88 1.000 -77.981 -0.932 -35.192 -99.200 -91.000 PHE 92 1.000 -72.753 -6.421 -33.839 -99.200 -91.000 PHE 100 1.000 -68.769 -8.354 -40.834 -99.200 -91.000 PHE 110 1.000 -71.631 -4.452 -43.404 -99.200 -91.000 HIS 120 0.900 -65.940 -4.288 -52.157 -99.200 -91.000 TRP 127 1.040 -69.443 -9.481 -45.660 -99.200 -91.000 TRP6 127 1.020 -71.134 -10.002 -44.112 -99.200 -91.000 TRP 140 1.040 -79.489 -9.207 -44.923 -99.200 -91.000 TRP6 140 1.020 -77.159 -9.285 -44.600 -99.200 -91.000 TYR 141 0.840 -73.448 -6.859 -48.975 -99.200 -91.000 PHE 168 1.000 -66.572 6.585 -35.640 -99.200 -91.000 TYR 171 0.840 -70.097 10.726 -39.151 -99.200 -91.000 HIS 175 0.900 -71.449 14.308 -38.309 -99.200 -91.000 PHE 193 1.000 -50.088 -4.980 -37.708 -99.200 -91.000 TYR 194 0.840 -51.277 -1.501 -45.847 -99.200 -91.000 TYR 208 0.840 -29.622 -4.721 -50.966 -99.200 -91.000 PHE 214 1.000 -39.995 3.129 -52.120 -99.200 -91.000 TRP 217 1.040 -38.209 9.021 -49.700 -99.200 -91.000 TRP6 217 1.020 -40.343 8.234 -50.317 -99.200 -91.000 PHE 229 1.000 -53.013 7.465 -47.819 -99.200 -91.000