============================================================================= 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 0.840 155.614 113.913 -40.069 -99.200 -91.000 TYR 19 0.840 143.878 103.281 -40.460 -99.200 -91.000 TYR 28 0.840 152.351 104.308 -47.752 -99.200 -91.000 PHE 33 1.000 151.119 114.754 -34.939 -99.200 -91.000 HIS 47 0.900 146.095 95.319 -20.358 -99.200 -91.000 TYR 54 0.840 148.256 97.021 -11.321 -99.200 -91.000 PHE 61 1.000 144.673 97.049 -15.113 -99.200 -91.000 TRP 89 1.040 128.847 131.398 -1.189 -99.200 -91.000 TRP6 89 1.020 128.236 130.082 -3.058 -99.200 -91.000 PHE 94 1.000 119.844 121.830 -6.931 -99.200 -91.000 PHE 95 1.000 127.252 127.092 -8.490 -99.200 -91.000 TRP 126 1.040 142.750 95.593 -24.544 -99.200 -91.000 TRP6 126 1.020 141.846 94.448 -26.406 -99.200 -91.000 PHE 133 1.000 130.999 92.668 -34.178 -99.200 -91.000 TRP 153 1.040 133.033 91.013 -42.879 -99.200 -91.000 TRP6 153 1.020 133.858 92.565 -41.315 -99.200 -91.000 TYR 157 0.840 136.083 89.383 -37.873 -99.200 -91.000 TYR 163 0.840 148.131 93.245 -38.224 -99.200 -91.000 PHE 164 1.000 143.661 93.779 -30.808 -99.200 -91.000 PHE 171 1.000 142.969 82.520 -18.925 -99.200 -91.000 HIS 177 0.900 138.066 77.862 -19.672 -99.200 -91.000 TYR 188 0.840 122.474 76.545 -21.556 -99.200 -91.000 PHE 194 1.000 127.752 77.510 -22.884 -99.200 -91.000 PHE 208 1.000 153.463 88.311 -16.702 -99.200 -91.000 TRP 211 1.040 146.226 89.913 -19.288 -99.200 -91.000 TRP6 211 1.020 144.445 88.539 -19.983 -99.200 -91.000 PHE 218 1.000 154.413 100.808 -35.253 -99.200 -91.000 PHE 233 1.000 155.115 105.547 -35.229 -99.200 -91.000 PHE 236 1.000 156.061 114.049 -33.674 -99.200 -91.000 HIS 257 0.900 145.631 124.557 -35.164 -99.200 -91.000 HIS 259 0.900 147.395 123.711 -27.366 -99.200 -91.000 PHE 267 1.000 154.545 123.529 -33.828 -99.200 -91.000 TYR 274 0.840 145.962 115.328 -43.782 -99.200 -91.000 HIS 282 0.900 137.674 112.924 -27.082 -99.200 -91.000 PHE 292 1.000 134.574 116.653 -42.535 -99.200 -91.000 TYR 313 0.840 121.048 106.841 -38.690 -99.200 -91.000 PHE 321 1.000 128.878 92.228 -12.212 -99.200 -91.000 TYR 349 0.840 144.215 64.261 4.088 -99.200 -91.000 TYR 353 0.840 145.583 61.367 -10.100 -99.200 -91.000 HIS 362 0.900 136.798 66.047 -12.763 -99.200 -91.000 TRP 365 1.040 144.533 68.346 -17.843 -99.200 -91.000 TRP6 365 1.020 143.289 70.074 -16.807 -99.200 -91.000 TRP 366 1.040 140.001 68.295 -12.239 -99.200 -91.000 TRP6 366 1.020 138.344 69.556 -13.346 -99.200 -91.000 HIS 373 0.900 144.567 73.536 -2.674 -99.200 -91.000 HIS 377 0.900 148.840 74.883 0.200 -99.200 -91.000 PHE 386 1.000 145.534 78.047 -1.225 -99.200 -91.000 PHE 397 1.000 124.019 88.407 -31.523 -99.200 -91.000 HIS 401 0.900 122.976 81.553 -27.828 -99.200 -91.000 TRP 403 1.040 121.981 86.666 -24.618 -99.200 -91.000 TRP6 403 1.020 119.695 86.847 -25.102 -99.200 -91.000 HIS 404 0.900 130.803 88.242 -26.144 -99.200 -91.000 HIS 408 0.900 134.821 87.928 -17.804 -99.200 -91.000 PHE 412 1.000 132.989 93.470 -8.588 -99.200 -91.000 TYR 414 0.84