============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 69 rings ring int. center anis. iso. PHE 17 1.000 -4.737 -68.341 -21.549 -99.200 -91.000 TRP 21 1.040 -13.664 -62.492 -18.309 -99.200 -91.000 TRP6 21 1.020 -13.707 -61.697 -16.083 -99.200 -91.000 HIS 22 0.900 -10.861 -66.689 -15.103 -99.200 -91.000 PHE 28 1.000 -13.426 -53.267 -20.048 -99.200 -91.000 TRP 39 1.040 -0.065 -69.691 -14.398 -99.200 -91.000 TRP6 39 1.020 -1.833 -69.266 -15.917 -99.200 -91.000 TYR 40 0.840 4.691 -65.746 -19.091 -99.200 -91.000 TYR 59 0.840 -14.887 -89.702 -10.338 -99.200 -91.000 PHE 68 1.000 -10.974 -87.357 -8.070 -99.200 -91.000 TRP 73 1.040 -16.840 -90.032 2.293 -99.200 -91.000 TRP6 73 1.020 -15.907 -92.191 2.079 -99.200 -91.000 PHE 75 1.000 -18.373 -86.620 4.324 -99.200 -91.000 TYR 90 0.840 -25.099 -75.675 -11.079 -99.200 -91.000 HIS 91 0.900 -22.259 -73.925 -7.011 -99.200 -91.000 PHE 107 1.000 -12.722 -80.819 -22.253 -99.200 -91.000 TYR 114 0.840 -0.466 -74.144 -15.433 -99.200 -91.000 TYR 139 0.840 -12.561 -87.830 3.580 -99.200 -91.000 TYR 147 0.840 -10.703 -78.948 3.826 -99.200 -91.000 TRP 151 1.040 -20.450 -75.274 0.738 -99.200 -91.000 TRP6 151 1.020 -20.798 -75.483 3.074 -99.200 -91.000 HIS 159 0.900 -33.165 -68.507 5.293 -99.200 -91.000 TYR 186 0.840 -11.668 -74.915 6.860 -99.200 -91.000 PHE 188 1.000 -17.474 -71.539 3.959 -99.200 -91.000 TYR 202 0.840 -27.914 -59.599 9.299 -99.200 -91.000 TYR 205 0.840 -22.019 -72.630 7.431 -99.200 -91.000 TYR 210 0.840 -11.620 -70.404 13.734 -99.200 -91.000 HIS 219 0.900 -16.064 -57.437 -18.759 -99.200 -91.000 HIS 223 0.900 -21.497 -54.570 -5.405 -99.200 -91.000 TYR 226 0.840 -23.100 -61.500 -8.728 -99.200 -91.000 TYR 238 0.840 -11.057 -59.639 -11.657 -99.200 -91.000 TYR 245 0.840 -22.380 -64.339 -18.431 -99.200 -91.000 HIS 247 0.900 -16.210 -67.712 -21.018 -99.200 -91.000 HIS 259 0.900 -19.097 -71.184 -12.046 -99.200 -91.000 TYR 273 0.840 -6.119 -67.548 -0.629 -99.200 -91.000 TRP 285 1.040 -5.149 -70.477 11.231 -99.200 -91.000 TRP6 285 1.020 -6.861 -68.931 11.780 -99.200 -91.000 TYR 290 0.840 -1.470 -60.686 10.307 -99.200 -91.000 TRP 307 1.040 -13.308 -48.046 -1.187 -99.200 -91.000 TRP6 307 1.020 -12.054 -50.027 -0.912 -99.200 -91.000 TYR 316 0.840 -13.139 -53.897 5.565 -99.200 -91.000 HIS 318 0.900 -18.178 -52.329 6.639 -99.200 -91.000 TYR 320 0.840 -15.840 -52.487 -4.444 -99.200 -91.000 PHE 322 1.000 -8.566 -54.979 5.166 -99.200 -91.000 HIS 328 0.900 4.555 -60.589 -9.764 -99.200 -91.000 TRP 337 1.040 3.981 -63.062 6.354 -99.200 -91.000 TRP6 337 1.020 3.192 -60.855 6.692 -99.200 -91.000 TRP 345 1.040 -8.439 -66.942 23.085 -99.200 -91.000 TRP6 345 1.020 -7.271 -68.462 21.703 -99.200 -91.000 PHE 346 1.000 -8.631 -58.314 27.016 -99.200 -91.000 TYR 347 0.840 -12.703 -65.395 24.055 -99.200 -91.000 TYR 352 0.840 -25.561 -60.480 31.048 -99.200 -91.000 PHE 380 1.000 -5.438 -58.819 21.383 -99.200 -91.000 HIS 385 0.900 -9.856 -63.094 12.173 -99.200 -91.000 PHE 427 1.000 -29.987 -59.223 14.922 -99.200 -91.000 TRP 430 1.040 -25.628 -63.271 14.250 -99.200 -91.000 TRP6 430 1.020 -25.632 -65.381 13.179 -99.200 -91.000 PHE 432 1.000 -24.582 -58.910 14.116 -99.200 -91.000 HIS 437 0.900 -13.079 -52.443 14.384 -99.200 -91.000 TRP 438 1.040 -5.569 -58.234 10.351 -99.200 -91.000 TRP6 438 1.020 -6.750 -60.265 10.005 -99.200 -91.000 TRP 446 1.040 -12.664 -51.335 21.761 -99.200 -91.000 TRP6 446 1.020 -12.650 -52.164 19.534 -99.200 -91.000 HIS 457 0.900 -40.891 -51.910 12.270 -99.200 -91.000 PHE 461 1.000 -27.335 -53.597 23.367 -99.200 -91.000 HIS 462 0.900 -33.170 -58.465 26.452 -99.200 -91.000 TRP 464 1.040 -22.067 -54.376 24.648 -99.200 -91.000 TRP6 464 1.020 -19.965 -53.681 23.780 -99.200 -91.000 PHE 469 1.000 -11.542 -64.688 18.371 -99.200 -91.000