============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TRP 23 1.040 65.148 19.338 13.668 -99.200 -91.000 TRP6 23 1.020 63.849 19.108 15.636 -99.200 -91.000 PHE 28 1.000 59.875 21.350 -1.802 -99.200 -91.000 TYR 32 0.840 57.290 14.633 4.161 -99.200 -91.000 TYR 43 0.840 62.603 0.516 14.825 -99.200 -91.000 PHE 60 1.000 66.338 11.349 7.156 -99.200 -91.000 TYR 63 0.840 70.694 3.492 8.524 -99.200 -91.000 TYR 78 0.840 69.361 -13.208 8.574 -99.200 -91.000 HIS 83 0.900 58.299 0.952 2.158 -99.200 -91.000 PHE 84 1.000 62.476 -2.120 -4.328 -99.200 -91.000 PHE 92 1.000 67.224 -1.218 0.311 -99.200 -91.000 PHE 104 1.000 69.501 -6.422 0.497 -99.200 -91.000 PHE 118 1.000 71.108 -3.211 -5.239 -99.200 -91.000 HIS 139 0.900 66.144 -10.887 20.689 -99.200 -91.000 PHE 143 1.000 60.223 -12.155 8.975 -99.200 -91.000 TRP 151 1.040 53.734 1.269 0.780 -99.200 -91.000 TRP6 151 1.020 52.023 2.457 1.915 -99.200 -91.000 TYR 158 0.840 55.074 -10.551 18.164 -99.200 -91.000 TYR 166 0.840 61.009 -4.421 15.120 -99.200 -91.000 PHE 171 1.000 49.112 0.546 13.669 -99.200 -91.000 HIS 174 0.900 55.842 11.537 7.215 -99.200 -91.000 PHE 181 1.000 60.462 4.401 23.672 -99.200 -91.000 TRP 185 1.040 48.263 9.524 21.611 -99.200 -91.000 TRP6 185 1.020 46.241 8.704 22.539 -99.200 -91.000 PHE 188 1.000 54.341 13.199 19.702 -99.200 -91.000 TYR 194 0.840 47.993 16.094 7.161 -99.200 -91.000 TYR 195 0.840 51.978 8.084 8.592 -99.200 -91.000 PHE 196 1.000 43.256 5.953 8.616 -99.200 -91.000 HIS 202 0.900 46.395 3.117 0.080 -99.200 -91.000 HIS 205 0.900 44.277 -4.038 0.257 -99.200 -91.000 TYR 221 0.840 50.896 -1.031 17.020 -99.200 -91.000 HIS 225 0.900 58.152 7.787 7.700 -99.200 -91.000 TYR 240 0.840 46.311 3.787 11.715 -99.200 -91.000 TRP 243 1.040 40.531 8.075 12.863 -99.200 -91.000 TRP6 243 1.020 42.814 8.185 13.481 -99.200 -91.000 HIS 251 0.900 37.794 4.835 0.390 -99.200 -91.000 HIS 252 0.900 27.984 2.898 -1.856 -99.200 -91.000 HIS 253 0.900 33.660 8.233 -5.261 -99.200 -91.000 HIS 254 0.900 27.669 6.745 1.473 -99.200 -91.000