============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. PHE 9 1.000 33.878 18.730 -1.748 -99.200 -91.000 PHE 14 1.000 35.245 6.666 -0.759 -99.200 -91.000 HIS 16 0.900 39.635 13.482 -7.466 -99.200 -91.000 PHE 27 1.000 33.568 8.571 10.057 -99.200 -91.000 TRP 31 1.040 27.415 19.799 7.586 -99.200 -91.000 TRP6 31 1.020 26.100 21.047 6.087 -99.200 -91.000 TYR 41 0.840 32.079 30.032 -4.013 -99.200 -91.000 PHE 58 1.000 29.313 25.573 -3.656 -99.200 -91.000 HIS 64 0.900 28.140 32.159 0.389 -99.200 -91.000 PHE 67 1.000 27.248 25.116 2.092 -99.200 -91.000 TYR 81 0.840 18.894 13.045 15.343 -99.200 -91.000 PHE 90 1.000 38.890 30.092 16.631 -99.200 -91.000 PHE 97 1.000 41.088 39.037 8.424 -99.200 -91.000 TYR 101 0.840 35.017 36.274 4.671 -99.200 -91.000 TYR 108 0.840 23.696 34.662 3.611 -99.200 -91.000 TYR 109 0.840 28.644 29.839 5.288 -99.200 -91.000 PHE 118 1.000 45.663 32.820 13.832 -99.200 -91.000 TRP 132 1.040 34.935 27.132 19.310 -99.200 -91.000 TRP6 132 1.020 34.128 26.093 17.334 -99.200 -91.000 TYR 163 0.840 28.868 14.668 19.902 -99.200 -91.000 PHE 164 1.000 24.256 10.689 14.658 -99.200 -91.000 TRP 168 1.040 22.773 0.984 16.008 -99.200 -91.000 TRP6 168 1.020 23.199 1.856 13.861 -99.200 -91.000 PHE 172 1.000 23.156 -3.799 14.784 -99.200 -91.000 PHE 178 1.000 30.124 -14.297 13.851 -99.200 -91.000 PHE 180 1.000 35.949 -6.990 7.863 -99.200 -91.000 TYR 194 0.840 21.185 -12.215 14.469 -99.200 -91.000 TYR 203 0.840 23.247 -7.096 -5.996 -99.200 -91.000 TYR 216 0.840 22.417 6.052 13.553 -99.200 -91.000 PHE 223 1.000 20.486 5.015 3.407 -99.200 -91.000 TYR 244 0.840 22.710 13.037 -6.691 -99.200 -91.000 TRP 250 1.040 19.514 1.385 -5.745 -99.200 -91.000 TRP6 250 1.020 18.120 -0.481 -5.387 -99.200 -91.000 TYR 264 0.840 24.863 -12.728 11.603 -99.200 -91.000 PHE 268 1.000 32.652 0.429 12.015 -99.200 -91.000 HIS 273 0.900 44.295 12.485 13.394 -99.200 -91.000 TYR 274 0.840 41.414 11.209 5.888 -99.200 -91.000 PHE 289 1.000 44.375 24.186 -1.237 -99.200 -91.000 PHE 296 1.000 41.146 32.495 -0.921 -99.200 -91.000 PHE 306 1.000 49.806 31.175 0.846 -99.200 -91.000 PHE 311 1.000 46.423 21.320 8.834 -99.200 -91.000 HIS 312 0.900 37.302 16.090 7.736 -99.200 -91.000 HIS 328 0.900 18.909 -18.831 10.247 -99.200 -91.000 PHE 333 1.000 24.571 -5.356 4.541 -99.200 -91.000 HIS 337 0.900 32.215 -9.171 1.998 -99.200 -91.000 PHE 339 1.000 31.164 -2.213 6.679 -99.200 -91.000 PHE 341 1.000 31.282 3.687 7.894 -99.200 -91.000 HIS 345 0.900 19.311 16.183 8.732 -99.200 -91.000 PHE 353 1.000 29.773 12.424 10.979 -99.200 -91.000 PHE 354 1.000 31.043 7.606 1.104 -99.200 -91.000 PHE 357 1.000 35.698 -2.184 10.006 -99.200 -91.000