============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TYR 3 0.840 79.827 -17.724 59.362 -99.200 -91.000 PHE 4 1.000 80.586 -20.656 53.154 -99.200 -91.000 TYR 24 0.840 59.234 -2.744 53.516 -99.200 -91.000 TRP 42 1.040 63.264 12.553 34.110 -99.200 -91.000 TRP6 42 1.020 63.453 13.504 36.277 -99.200 -91.000 TYR 67 0.840 75.791 -4.121 43.342 -99.200 -91.000 PHE 70 1.000 73.637 7.283 38.754 -99.200 -91.000 TYR 87 0.840 69.825 -11.047 45.528 -99.200 -91.000 TYR 93 0.840 54.181 -6.533 29.346 -99.200 -91.000 PHE 98 1.000 30.944 11.052 27.931 -99.200 -91.000 PHE 105 1.000 39.117 20.463 30.326 -99.200 -91.000 HIS 117 0.900 57.701 27.144 43.644 -99.200 -91.000 PHE 119 1.000 48.390 31.363 43.840 -99.200 -91.000 TYR 123 0.840 47.837 22.241 34.023 -99.200 -91.000 HIS 136 0.900 26.852 10.179 33.242 -99.200 -91.000 PHE 147 1.000 33.792 21.967 48.230 -99.200 -91.000 PHE 179 1.000 40.227 29.893 31.778 -99.200 -91.000 TYR 189 0.840 26.573 24.214 35.044 -99.200 -91.000 PHE 195 1.000 30.569 26.809 48.359 -99.200 -91.000 PHE 197 1.000 34.365 27.288 52.612 -99.200 -91.000 TYR 206 0.840 28.805 29.286 52.408 -99.200 -91.000 HIS 209 0.900 27.108 16.908 57.140 -99.200 -91.000 PHE 211 1.000 28.404 21.266 47.624 -99.200 -91.000 PHE 214 1.000 35.393 14.441 48.959 -99.200 -91.000 PHE 228 1.000 43.605 19.950 50.366 -99.200 -91.000 TYR 244 0.840 34.628 10.000 42.055 -99.200 -91.000 PHE 245 1.000 40.880 10.216 48.333 -99.200 -91.000 TRP 257 1.040 49.966 4.644 48.505 -99.200 -91.000 TRP6 257 1.020 48.560 3.892 46.765 -99.200 -91.000 PHE 268 1.000 38.707 11.394 57.412 -99.200 -91.000 PHE 279 1.000 40.852 7.940 35.809 -99.200 -91.000 TYR 282 0.840 48.929 14.909 38.657 -99.200 -91.000 TRP 285 1.040 54.660 20.893 38.458 -99.200 -91.000 TRP6 285 1.020 54.095 18.589 38.704 -99.200 -91.000 TYR 287 0.840 58.212 17.301 41.693 -99.200 -91.000 TRP 294 1.040 68.102 19.158 36.705 -99.200 -91.000 TRP6 294 1.020 67.157 18.879 34.541 -99.200 -91.000 TYR 305 0.840 57.081 8.952 30.430 -99.200 -91.000 TRP 307 1.040 58.143 12.824 35.176 -99.200 -91.000 TRP6 307 1.020 58.688 12.526 37.447 -99.200 -91.000 TYR 308 0.840 54.089 13.576 40.291 -99.200 -91.000 TYR 311 0.840 48.117 3.288 41.821 -99.200 -91.000 PHE 312 1.000 43.367 5.441 47.158 -99.200 -91.000 TYR 323 0.840 39.140 15.180 60.773 -99.200 -91.000 TYR 333 0.840 35.328 12.181 64.040 -99.200 -91.000