============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 67 rings ring int. center anis. iso. PHE 11 1.000 24.266 -48.753 -8.276 -99.200 -91.000 TYR 12 0.840 19.466 -47.072 -15.093 -99.200 -91.000 PHE 18 1.000 19.918 -58.683 -13.872 -99.200 -91.000 PHE 21 1.000 21.497 -60.956 -5.694 -99.200 -91.000 TYR 24 0.840 25.252 -54.617 -10.660 -99.200 -91.000 TYR 27 0.840 29.598 -51.540 -9.952 -99.200 -91.000 HIS 34 0.900 27.928 -49.503 1.456 -99.200 -91.000 TRP 47 1.040 16.521 -61.295 -15.951 -99.200 -91.000 TRP6 47 1.020 14.970 -60.253 -14.487 -99.200 -91.000 TYR 53 0.840 4.246 -61.250 -14.653 -99.200 -91.000 PHE 76 1.000 -0.893 -41.670 10.851 -99.200 -91.000 TYR 79 0.840 -3.993 -51.761 16.360 -99.200 -91.000 PHE 91 1.000 -5.469 -57.812 -3.567 -99.200 -91.000 TYR 100 0.840 -11.792 -51.371 -0.779 -99.200 -91.000 TYR 105 0.840 -0.811 -40.080 -9.201 -99.200 -91.000 PHE 108 1.000 5.967 -40.115 -4.305 -99.200 -91.000 TYR 115 0.840 0.469 -44.023 2.641 -99.200 -91.000 TRP 116 1.040 2.621 -40.019 4.236 -99.200 -91.000 TRP6 116 1.020 2.964 -41.553 6.025 -99.200 -91.000 PHE 121 1.000 -9.810 -40.376 6.996 -99.200 -91.000 TYR 126 0.840 0.567 -55.332 1.041 -99.200 -91.000 TYR 135 0.840 12.248 -64.245 -10.678 -99.200 -91.000 HIS 138 0.900 13.033 -74.235 -17.806 -99.200 -91.000 TRP 142 1.040 20.461 -60.022 -10.512 -99.200 -91.000 TRP6 142 1.020 20.226 -58.041 -9.227 -99.200 -91.000 TYR 169 0.840 6.443 -64.585 3.098 -99.200 -91.000 TYR 171 0.840 5.298 -58.979 0.474 -99.200 -91.000 PHE 172 1.000 -0.543 -61.643 -5.944 -99.200 -91.000 TRP 175 1.040 -5.388 -45.221 -2.731 -99.200 -91.000 TRP6 175 1.020 -3.410 -43.929 -2.437 -99.200 -91.000 PHE 179 1.000 7.166 -51.023 1.931 -99.200 -91.000 TRP 181 1.040 9.019 -45.611 9.060 -99.200 -91.000 TRP6 181 1.020 10.802 -45.108 7.591 -99.200 -91.000 HIS 182 0.900 10.121 -53.614 7.104 -99.200 -91.000 TYR 189 0.840 23.263 -57.171 2.131 -99.200 -91.000 TYR 193 0.840 10.943 -58.145 -11.175 -99.200 -91.000 HIS 195 0.900 7.240 -61.131 -10.402 -99.200 -91.000 PHE 196 1.000 0.997 -58.518 -11.836 -99.200 -91.000 TRP 202 1.040 10.261 -49.271 -2.284 -99.200 -91.000 TRP6 202 1.020 11.051 -51.189 -1.101 -99.200 -91.000 TYR 203 0.840 8.076 -42.308 2.503 -99.200 -91.000 HIS 209 0.900 22.575 -40.242 9.822 -99.200 -91.000 PHE 220 1.000 6.742 -38.494 18.939 -99.200 -91.000 PHE 221 1.000 4.172 -45.156 18.099 -99.200 -91.000 PHE 231 1.000 8.189 -49.616 19.224 -99.200 -91.000 HIS 234 0.900 5.960 -56.117 17.957 -99.200 -91.000 TYR 247 0.840 10.086 -34.839 16.710 -99.200 -91.000 PHE 251 1.000 12.501 -38.164 4.824 -99.200 -91.000 PHE 261 1.000 15.343 -57.605 -9.794 -99.200 -91.000 PHE 265 1.000 22.416 -51.898 -0.020 -99.200 -91.000 TYR 267 0.840 20.281 -50.466 12.591 -99.200 -91.000 TYR 269 0.840 14.875 -49.270 11.687 -99.200 -91.000 HIS 270 0.900 13.074 -51.969 4.258 -99.200 -91.000 PHE 273 1.000 2.653 -44.214 -0.821 -99.200 -91.000 HIS 275 0.900 2.723 -44.751 -6.476 -99.200 -91.000 PHE 277 1.000 -3.832 -56.322 -9.387 -99.200 -91.000 PHE 285 1.000 20.733 -59.774 -0.980 -99.200 -91.000 TRP 290 1.040 23.147 -60.588 7.970 -99.200 -91.000 TRP6 290 1.020 23.277 -62.905 8.404 -99.200 -91.000 TYR 293 0.840 25.328 -54.394 9.473 -99.200 -91.000 PHE 314 1.000 25.298 -67.625 8.166 -99.200 -91.000 PHE 318 1.000 31.352 -67.289 5.559 -99.200 -91.000 TYR 323 0.840 32.415 -70.962 17.417 -99.200 -91.000 TRP 326 1.040 29.410 -64.533 18.563 -99.200 -91.000 TRP6 326 1.020 28.435 -66.624 18.012 -99.200 -91.000 HIS 337 0.900 25.642 -49.038 10.822 -99.200 -91.000 PHE 347 1.000 33.270 -55.203 -8.592 -99.200 -91.000