============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 8.381 6.190 18.531 -99.200 -91.000 TRP6 14 1.020 7.033 7.993 19.197 -99.200 -91.000 PHE 19 1.000 12.677 -5.435 3.267 -99.200 -91.000 TRP 37 1.040 22.805 10.423 14.351 -99.200 -91.000 TRP6 37 1.020 24.689 9.017 14.324 -99.200 -91.000 HIS 43 0.900 19.426 -9.047 19.553 -99.200 -91.000 TYR 47 0.840 23.489 -14.131 18.956 -99.200 -91.000 TRP 49 1.040 21.353 -17.763 16.341 -99.200 -91.000 TRP6 49 1.020 19.572 -16.339 16.876 -99.200 -91.000 PHE 53 1.000 22.359 -9.153 8.614 -99.200 -91.000 HIS 65 0.900 -1.029 0.424 10.337 -99.200 -91.000 TYR 70 0.840 7.417 1.460 -1.991 -99.200 -91.000 TYR 84 0.840 29.129 5.208 14.119 -99.200 -91.000 HIS 86 0.900 28.815 -0.111 24.832 -99.200 -91.000 TYR 89 0.840 26.269 -7.478 21.061 -99.200 -91.000 TRP 91 1.040 29.870 -11.251 20.406 -99.200 -91.000 TRP6 91 1.020 30.729 -13.465 20.141 -99.200 -91.000 PHE 110 1.000 12.141 14.549 11.705 -99.200 -91.000 TYR 113 0.840 1.098 9.341 7.468 -99.200 -91.000 HIS 115 0.900 7.626 14.436 15.482 -99.200 -91.000 TYR 132 0.840 5.460 4.389 37.936 -99.200 -91.000 TRP 139 1.040 5.480 -4.108 11.290 -99.200 -91.000 TRP6 139 1.020 6.924 -2.244 11.381 -99.200 -91.000 PHE 176 1.000 13.365 -1.682 30.815 -99.200 -91.000 TYR 180 0.840 0.049 -7.032 32.379 -99.200 -91.000 PHE 199 1.000 9.033 -0.620 28.377 -99.200 -91.000 PHE 205 1.000 6.812 14.223 35.785 -99.200 -91.000 TRP 209 1.040 4.151 9.271 23.293 -99.200 -91.000 TRP6 209 1.020 3.231 7.344 24.332 -99.200 -91.000 TYR 210 0.840 11.047 12.031 27.658 -99.200 -91.000 TRP 217 1.040 18.052 -10.962 27.142 -99.200 -91.000 TRP6 217 1.020 17.532 -12.553 28.842 -99.200 -91.000 TYR 227 0.840 8.274 -11.674 34.831 -99.200 -91.000 PHE 229 1.000 15.229 -10.339 31.555 -99.200 -91.000 TYR 230 0.840 11.390 -4.919 27.025 -99.200 -91.000 HIS 232 0.900 18.028 1.545 32.647 -99.200 -91.000 PHE 234 1.000 19.864 8.367 32.335 -99.200 -91.000 TRP 239 1.040 28.643 3.707 22.596 -99.200 -91.000 TRP6 239 1.020 26.891 3.081 21.171 -99.200 -91.000 PHE 247 1.000 32.902 8.038 15.297 -99.200 -91.000