============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TYR 16 0.840 7.575 -7.907 19.600 -99.200 -91.000 PHE 17 1.000 8.747 -4.861 27.374 -99.200 -91.000 PHE 39 1.000 14.476 -6.559 27.459 -99.200 -91.000 TRP 50 1.040 20.227 3.169 1.240 -99.200 -91.000 TRP6 50 1.020 18.109 3.300 0.183 -99.200 -91.000 PHE 60 1.000 22.797 -3.807 -1.364 -99.200 -91.000 PHE 62 1.000 23.283 -7.303 2.879 -99.200 -91.000 TYR 67 0.840 27.686 -10.739 16.315 -99.200 -91.000 TRP 71 1.040 23.643 -12.905 20.227 -99.200 -91.000 TRP6 71 1.020 21.694 -12.223 21.363 -99.200 -91.000 HIS 82 0.900 14.459 1.038 12.678 -99.200 -91.000 TRP 86 1.040 14.439 7.439 8.835 -99.200 -91.000 TRP6 86 1.020 16.124 6.863 10.375 -99.200 -91.000 HIS 87 0.900 13.820 11.792 7.276 -99.200 -91.000 TRP 93 1.040 24.885 5.618 -2.349 -99.200 -91.000 TRP6 93 1.020 23.122 4.445 -3.399 -99.200 -91.000 HIS 110 0.900 18.807 -0.228 0.913 -99.200 -91.000 TYR 118 0.840 19.543 -10.250 6.693 -99.200 -91.000 TRP 125 1.040 12.081 -6.842 6.611 -99.200 -91.000 TRP6 125 1.020 14.265 -5.936 6.700 -99.200 -91.000 PHE 132 1.000 1.960 10.113 7.555 -99.200 -91.000 PHE 143 1.000 13.965 7.301 -0.362 -99.200 -91.000 TYR 151 0.840 8.010 7.764 -0.089 -99.200 -91.000 PHE 156 1.000 4.435 -0.130 3.590 -99.200 -91.000 TYR 169 0.840 4.601 -3.484 12.304 -99.200 -91.000 TYR 173 0.840 9.525 11.764 15.001 -99.200 -91.000 TYR 180 0.840 1.211 15.745 16.818 -99.200 -91.000 TRP 193 1.040 -0.825 5.243 1.172 -99.200 -91.000 TRP6 193 1.020 0.308 6.182 3.043 -99.200 -91.000 HIS 208 0.900 12.193 7.234 20.356 -99.200 -91.000 TYR 247 0.840 9.984 2.655 30.405 -99.200 -91.000 TRP 266 1.040 16.024 3.153 19.628 -99.200 -91.000 TRP6 266 1.020 15.357 1.530 18.013 -99.200 -91.000 TRP 274 1.040 17.366 7.695 20.962 -99.200 -91.000 TRP6 274 1.020 16.442 8.935 19.157 -99.200 -91.000 PHE 283 1.000 17.788 -4.423 32.411 -99.200 -91.000 PHE 287 1.000 25.706 -3.084 31.071 -99.200 -91.000 TYR 293 0.840 13.085 -5.821 33.772 -99.200 -91.000