============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 10 0.900 29.963 -16.982 13.156 -99.200 -91.000 TYR 31 0.840 12.361 -18.417 11.086 -99.200 -91.000 TYR 36 0.840 15.064 -20.943 16.636 -99.200 -91.000 TYR 37 0.840 17.097 -18.532 24.151 -99.200 -91.000 PHE 38 1.000 21.537 -17.380 17.676 -99.200 -91.000 TRP 40 1.040 28.913 -14.230 20.080 -99.200 -91.000 TRP6 40 1.020 26.606 -13.876 19.724 -99.200 -91.000 TYR 42 0.840 35.781 -14.491 29.477 -99.200 -91.000 PHE 57 1.000 23.773 -9.909 29.396 -99.200 -91.000 PHE 66 1.000 10.257 -5.849 31.224 -99.200 -91.000 TYR 89 0.840 -4.273 8.749 39.005 -99.200 -91.000 TRP 90 1.040 2.941 13.591 44.614 -99.200 -91.000 TRP6 90 1.020 5.073 13.790 43.605 -99.200 -91.000 TRP 98 1.040 3.534 19.989 38.048 -99.200 -91.000 TRP6 98 1.020 4.255 18.061 36.891 -99.200 -91.000 HIS 105 0.900 -0.452 15.910 28.385 -99.200 -91.000 TYR 109 0.840 9.332 9.170 26.537 -99.200 -91.000 PHE 131 1.000 12.950 17.510 38.967 -99.200 -91.000 TYR 132 0.840 8.789 14.992 39.043 -99.200 -91.000 TRP 135 1.040 9.680 20.883 34.382 -99.200 -91.000 TRP6 135 1.020 7.453 20.652 33.597 -99.200 -91.000 TRP 139 1.040 8.828 23.380 23.818 -99.200 -91.000 TRP6 139 1.020 10.278 21.613 24.468 -99.200 -91.000 TYR 147 0.840 14.127 8.219 26.164 -99.200 -91.000 PHE 155 1.000 2.185 5.636 32.927 -99.200 -91.000 PHE 167 1.000 7.562 0.535 38.633 -99.200 -91.000 PHE 176 1.000 9.435 -7.965 36.299 -99.200 -91.000 HIS 183 0.900 15.802 -17.560 36.684 -99.200 -91.000 TRP 185 1.040 15.044 -11.238 40.349 -99.200 -91.000 TRP6 185 1.020 13.500 -11.409 42.135 -99.200 -91.000 TYR 196 0.840 23.529 -7.285 38.477 -99.200 -91.000 TRP 198 1.040 30.821 -7.596 38.216 -99.200 -91.000 TRP6 198 1.020 30.439 -5.786 39.696 -99.200 -91.000 TYR 200 0.840 33.443 -5.782 32.621 -99.200 -91.000 HIS 207 0.900 26.613 -5.129 38.921 -99.200 -91.000 TYR 218 0.840 17.816 4.829 35.851 -99.200 -91.000 TRP 230 1.040 9.424 -7.391 27.518 -99.200 -91.000 TRP6 230 1.020 7.400 -7.002 28.677 -99.200 -91.000 TYR 256 0.840 -1.291 5.604 23.722 -99.200 -91.000 TRP 257 1.040 1.627 11.690 22.226 -99.200 -91.000 TRP6 257 1.020 0.377 13.708 22.272 -99.200 -91.000 TYR 263 0.840 2.902 6.063 13.512 -99.200 -91.000 TRP 268 1.040 6.732 -2.287 23.907 -99.200 -91.000 TRP6 268 1.020 8.805 -3.346 23.486 -99.200 -91.000 TRP 273 1.040 7.556 -5.301 7.706 -99.200 -91.000 TRP6 273 1.020 9.883 -5.283 8.117 -99.200 -91.000 TRP 309 1.040 11.788 -1.823 14.005 -99.200 -91.000 TRP6 309 1.020 13.141 -3.550 13.102 -99.200 -91.000 HIS 311 0.900 12.783 1.007 17.383 -99.200 -91.000 PHE 319 1.000 25.206 -4.608 32.343 -99.200 -91.000 TYR 322 0.840 17.054 -2.358 18.658 -99.200 -91.000 PHE 325 1.000 7.515 -6.388 19.787 -99.200 -91.000 TYR 341 0.840 26.443 -2.343 21.241 -99.200 -91.000 TRP 351 1.040 17.409 -3.224 7.889 -99.200 -91.000 TRP6 351 1.020 15.074 -3.343 7.470 -99.200 -91.000