============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. HIS 10 0.900 41.544 71.125 75.990 -99.200 -91.000 TRP 15 1.040 45.261 71.880 89.705 -99.200 -91.000 TRP6 15 1.020 46.591 70.393 90.943 -99.200 -91.000 TRP 37 1.040 27.684 66.251 77.115 -99.200 -91.000 TRP6 37 1.020 28.214 64.429 78.510 -99.200 -91.000 TRP 39 1.040 28.991 67.357 64.059 -99.200 -91.000 TRP6 39 1.020 29.994 68.992 62.689 -99.200 -91.000 HIS 41 0.900 32.954 66.360 61.398 -99.200 -91.000 TYR 50 0.840 24.740 59.219 68.421 -99.200 -91.000 TRP 55 1.040 26.129 54.688 66.516 -99.200 -91.000 TRP6 55 1.020 28.257 55.694 66.675 -99.200 -91.000 TYR 77 0.840 35.214 73.136 76.308 -99.200 -91.000 TYR 81 0.840 29.152 71.005 74.241 -99.200 -91.000 PHE 94 1.000 19.339 70.021 84.021 -99.200 -91.000 TYR 108 0.840 36.596 63.244 81.373 -99.200 -91.000 TYR 116 0.840 41.745 62.817 80.036 -99.200 -91.000 PHE 119 1.000 44.381 65.834 90.951 -99.200 -91.000 PHE 126 1.000 39.849 67.313 94.821 -99.200 -91.000 PHE 128 1.000 34.321 69.466 96.373 -99.200 -91.000 TYR 144 0.840 32.551 61.305 88.361 -99.200 -91.000 PHE 145 1.000 39.985 62.748 92.171 -99.200 -91.000 TYR 157 0.840 42.574 49.966 73.566 -99.200 -91.000 TYR 166 0.840 39.778 67.127 69.695 -99.200 -91.000 TYR 170 0.840 33.342 58.512 82.380 -99.200 -91.000 PHE 181 1.000 33.681 57.177 68.015 -99.200 -91.000 TRP 191 1.040 23.140 53.352 69.503 -99.200 -91.000 TRP6 191 1.020 24.748 54.093 71.055 -99.200 -91.000 HIS 205 0.900 32.733 46.343 72.197 -99.200 -91.000 TRP 215 1.040 29.484 67.564 96.047 -99.200 -91.000 TRP6 215 1.020 29.015 67.790 98.334 -99.200 -91.000 HIS 227 0.900 30.146 53.352 93.010 -99.200 -91.000 TYR 246 0.840 24.950 53.576 81.472 -99.200 -91.000 TYR 251 0.840 23.715 44.291 92.060 -99.200 -91.000 TRP 262 1.040 28.707 58.774 106.028 -99.200 -91.000 TRP6 262 1.020 29.735 57.438 107.678 -99.200 -91.000 TYR 265 0.840 17.021 62.884 104.644 -99.200 -91.000 PHE 272 1.000 26.479 67.519 108.020 -99.200 -91.000 TYR 273 0.840 24.051 68.851 101.460 -99.200 -91.000 PHE 279 1.000 17.918 71.188 106.083 -99.200 -91.000 PHE 293 1.000 40.260 59.758 99.156 -99.200 -91.000 TYR 302 0.840 38.374 69.086 107.258 -99.200 -91.000 TYR 303 0.840 30.672 67.615 105.004 -99.200 -91.000 PHE 310 1.000 29.456 72.596 110.985 -99.200 -91.000 TYR 320 0.840 30.688 52.918 111.391 -99.200 -91.000 TYR 329 0.840 29.054 53.346 106.255 -99.200 -91.000 PHE 337 1.000 21.204 51.631 105.238 -99.200 -91.000 PHE 342 1.000 32.759 48.809 99.407 -99.200 -91.000 PHE 351 1.000 37.735 53.313 95.566 -99.200 -91.000 TRP 366 1.040 25.122 62.863 86.721 -99.200 -91.000 TRP6 366 1.020 23.946 60.823 86.933 -99.200 -91.000 TYR 369 0.840 17.117 61.693 79.946 -99.200 -91.000 TYR 370 0.840 19.674 54.463 81.721 -99.200 -91.000 TRP 375 1.040 20.546 57.013 91.745 -99.200 -91.000 TRP6 375 1.020 22.705 57.825 92.262 -99.200 -91.000 TYR 380 0.840