============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. HIS 22 0.900 -6.301 4.993 20.157 -99.200 -91.000 PHE 35 1.000 -0.703 -4.484 18.295 -99.200 -91.000 PHE 62 1.000 2.966 4.780 24.177 -99.200 -91.000 PHE 65 1.000 10.536 -0.210 31.829 -99.200 -91.000 PHE 74 1.000 10.860 -4.535 29.809 -99.200 -91.000 TRP 101 1.040 17.635 0.361 5.842 -99.200 -91.000 TRP6 101 1.020 16.752 -1.391 7.156 -99.200 -91.000 PHE 108 1.000 21.063 5.736 11.812 -99.200 -91.000 PHE 112 1.000 20.480 5.614 17.426 -99.200 -91.000 TYR 120 0.840 17.415 -1.173 22.213 -99.200 -91.000 PHE 129 1.000 14.636 5.780 3.098 -99.200 -91.000 TRP 143 1.040 18.160 -6.427 7.193 -99.200 -91.000 TRP6 143 1.020 16.474 -6.011 8.791 -99.200 -91.000 PHE 169 1.000 13.524 3.708 14.122 -99.200 -91.000 TYR 174 0.840 7.225 -17.704 11.588 -99.200 -91.000 PHE 175 1.000 4.600 -18.120 19.299 -99.200 -91.000 TRP 179 1.040 -2.415 -25.590 19.607 -99.200 -91.000 TRP6 179 1.020 -2.334 -23.370 20.413 -99.200 -91.000 PHE 183 1.000 -7.271 -27.810 19.776 -99.200 -91.000 PHE 193 1.000 -16.199 -15.879 13.341 -99.200 -91.000 HIS 194 0.900 -23.607 -16.872 14.206 -99.200 -91.000 PHE 205 1.000 -16.327 -22.527 14.300 -99.200 -91.000 TYR 213 0.840 -4.733 -24.822 31.821 -99.200 -91.000 TYR 217 0.840 -12.959 -13.996 34.122 -99.200 -91.000 PHE 220 1.000 -14.703 -10.844 30.335 -99.200 -91.000 TYR 227 0.840 1.495 -21.208 21.510 -99.200 -91.000 PHE 236 1.000 7.124 -18.049 24.365 -99.200 -91.000 TYR 239 0.840 -3.540 -16.668 28.499 -99.200 -91.000 PHE 240 1.000 -7.875 -18.858 21.377 -99.200 -91.000 TYR 241 0.840 -8.174 -12.194 26.704 -99.200 -91.000 PHE 262 1.000 -9.646 -7.924 30.985 -99.200 -91.000 HIS 266 0.900 -10.249 -10.396 33.762 -99.200 -91.000 PHE 277 1.000 -12.329 -26.124 23.627 -99.200 -91.000 PHE 282 1.000 -6.980 -17.709 14.679 -99.200 -91.000 PHE 284 1.000 -4.995 -12.930 11.460 -99.200 -91.000 PHE 286 1.000 -2.962 -5.410 10.826 -99.200 -91.000 PHE 288 1.000 0.493 -1.406 13.240 -99.200 -91.000 PHE 303 1.000 5.861 8.855 15.472 -99.200 -91.000 PHE 328 1.000 7.167 1.669 6.495 -99.200 -91.000 HIS 329 0.900 5.010 -5.199 14.387 -99.200 -91.000 PHE 364 1.000 -13.543 -19.882 24.737 -99.200 -91.000 HIS 368 0.900 -19.460 -15.274 19.738 -99.200 -91.000 PHE 370 1.000 -11.529 -15.955 18.407 -99.200 -91.000 PHE 384 1.000 2.963 -12.490 17.732 -99.200 -91.000 HIS 393 0.900 -11.770 -13.612 3.561 -99.200 -91.000