============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 78 rings ring int. center anis. iso. TYR 5 0.840 155.911 114.106 -40.202 -99.200 -91.000 TYR 19 0.840 144.177 103.347 -40.654 -99.200 -91.000 TYR 28 0.840 152.617 104.552 -47.900 -99.200 -91.000 PHE 33 1.000 151.361 114.893 -35.070 -99.200 -91.000 HIS 47 0.900 146.462 95.307 -20.418 -99.200 -91.000 TYR 54 0.840 148.915 96.988 -11.267 -99.200 -91.000 PHE 61 1.000 145.129 97.051 -15.062 -99.200 -91.000 TRP 89 1.040 129.045 131.611 -1.245 -99.200 -91.000 TRP6 89 1.020 128.470 130.308 -3.130 -99.200 -91.000 PHE 94 1.000 120.288 121.821 -6.930 -99.200 -91.000 PHE 95 1.000 127.528 127.228 -8.726 -99.200 -91.000 HIS 125 0.900 141.483 101.036 -19.933 -99.200 -91.000 TRP 126 1.040 143.032 95.649 -24.609 -99.200 -91.000 TRP6 126 1.020 142.157 94.544 -26.497 -99.200 -91.000 PHE 133 1.000 131.297 92.693 -34.381 -99.200 -91.000 TRP 153 1.040 133.419 90.936 -43.083 -99.200 -91.000 TRP6 153 1.020 134.253 92.544 -41.531 -99.200 -91.000 TYR 157 0.840 136.429 89.457 -38.081 -99.200 -91.000 TYR 163 0.840 148.577 93.286 -38.384 -99.200 -91.000 PHE 164 1.000 143.988 93.830 -30.963 -99.200 -91.000 PHE 171 1.000 143.335 82.549 -19.025 -99.200 -91.000 HIS 177 0.900 138.393 77.894 -19.723 -99.200 -91.000 TYR 188 0.840 122.799 76.472 -21.599 -99.200 -91.000 PHE 194 1.000 128.133 77.458 -22.959 -99.200 -91.000 PHE 208 1.000 153.782 88.413 -16.656 -99.200 -91.000 TRP 211 1.040 146.532 90.029 -19.392 -99.200 -91.000 TRP6 211 1.020 144.735 88.626 -20.044 -99.200 -91.000 PHE 218 1.000 154.793 100.962 -35.422 -99.200 -91.000 PHE 233 1.000 155.510 105.705 -35.327 -99.200 -91.000 PHE 236 1.000 156.353 114.192 -33.837 -99.200 -91.000 HIS 257 0.900 145.293 124.618 -38.602 -99.200 -91.000 HIS 259 0.900 147.515 123.736 -27.370 -99.200 -91.000 PHE 267 1.000 154.600 124.035 -33.861 -99.200 -91.000 TYR 274 0.840 146.141 115.467 -43.972 -99.200 -91.000 HIS 282 0.900 137.873 112.890 -27.188 -99.200 -91.000 PHE 292 1.000 134.805 116.754 -42.700 -99.200 -91.000 TYR 313 0.840 121.236 106.780 -38.862 -99.200 -91.000 PHE 321 1.000 129.291 92.298 -12.260 -99.200 -91.000 TYR 349 0.840 144.705 64.368 3.959 -99.200 -91.000 TYR 353 0.840 145.928 61.250 -10.220 -99.200 -91.000 HIS 362 0.900 137.233 66.034 -12.878 -99.200 -91.000 TRP 365 1.040 144.933 68.392 -17.917 -99.200 -91.000 TRP6 365 1.020 143.625 70.056 -16.876 -99.200 -91.000 TRP 366 1.040 140.412 68.196 -12.334 -99.200 -91.000 TRP6 366 1.020 138.774 69.514 -13.401 -99.200 -91.000 HIS 373 0.900 144.896 73.503 -2.715 -99.200 -91.000 HIS 377 0.900 149.182 74.914 0.036 -99.200 -91.000 PHE 386 1.000 145.909 78.076 -1.283 -99.200 -91.000 PHE 397 1.000 124.355 88.297 -31.769 -99.200 -91.000 HIS 401 0.900 123.266 81.526 -27.917 -99.200 -91.000 TRP 403 1.040 122.344 86.595 -24.712 -99.200 -91.000 TRP6 403 1.020 120.042 86.744 -25.198 -99.200 -91.000 HIS 404 0.900 131.172 88.216 -26.214 -99.200 -91.000 HIS 408 0.900 135.157 87.949 -17.909 -99.200 -91.000 PHE 412 1.00