============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. PHE 3 1.000 63.419 -5.835 -26.643 -99.200 -91.000 HIS 15 0.900 49.541 14.291 -29.558 -99.200 -91.000 PHE 19 1.000 42.555 12.580 -31.103 -99.200 -91.000 TYR 31 0.840 30.379 5.531 -32.285 -99.200 -91.000 PHE 41 1.000 33.440 7.935 -42.900 -99.200 -91.000 PHE 47 1.000 33.796 13.057 -31.981 -99.200 -91.000 TYR 48 0.840 40.258 12.148 -40.752 -99.200 -91.000 HIS 54 0.900 44.238 17.062 -30.409 -99.200 -91.000 HIS 74 0.900 58.798 7.856 -32.587 -99.200 -91.000 PHE 83 1.000 42.589 1.199 -34.351 -99.200 -91.000 PHE 115 1.000 48.090 13.766 -57.528 -99.200 -91.000 PHE 119 1.000 45.526 13.345 -47.745 -99.200 -91.000 HIS 132 0.900 44.224 -4.960 -54.247 -99.200 -91.000 TRP 141 1.040 46.251 -8.979 -56.061 -99.200 -91.000 TRP6 141 1.020 47.230 -6.984 -56.897 -99.200 -91.000 TRP 160 1.040 45.913 5.946 -68.147 -99.200 -91.000 TRP6 160 1.020 46.482 3.746 -68.798 -99.200 -91.000 TRP 168 1.040 35.064 -5.946 -49.041 -99.200 -91.000 TRP6 168 1.020 33.568 -6.262 -47.236 -99.200 -91.000 TRP 175 1.040 34.966 13.512 -44.301 -99.200 -91.000 TRP6 175 1.020 34.914 12.145 -42.372 -99.200 -91.000 TYR 177 0.840 28.158 7.222 -49.904 -99.200 -91.000 TYR 225 0.840 33.197 8.026 -57.331 -99.200 -91.000 HIS 236 0.900 37.094 -2.208 -36.321 -99.200 -91.000 HIS 243 0.900 29.045 -3.012 -55.095 -99.200 -91.000 PHE 246 1.000 36.111 3.934 -59.948 -99.200 -91.000 PHE 249 1.000 36.162 8.618 -62.352 -99.200 -91.000 HIS 250 0.900 36.914 9.533 -70.449 -99.200 -91.000 HIS 253 0.900 49.929 8.892 -69.417 -99.200 -91.000 PHE 272 1.000 46.575 -3.715 -49.526 -99.200 -91.000 PHE 291 1.000 45.919 -8.469 -19.315 -99.200 -91.000 PHE 297 1.000 33.916 -8.724 -13.073 -99.200 -91.000 HIS 308 0.900 39.382 -8.898 -4.550 -99.200 -91.000 HIS 312 0.900 37.987 -18.363 -7.618 -99.200 -91.000 TRP 334 1.040 56.688 -1.962 -30.697 -99.200 -91.000 TRP6 334 1.020 57.308 -1.178 -28.543 -99.200 -91.000 TRP 347 1.040 59.376 -6.743 -50.747 -99.200 -91.000 TRP6 347 1.020 58.665 -5.113 -49.183 -99.200 -91.000 TYR 360 0.840 51.601 -14.637 -32.073 -99.200 -91.000 TYR 381 0.840 26.044 -12.835 -24.917 -99.200 -91.000 PHE 387 1.000 35.166 -7.841 -21.331 -99.200 -91.000 TYR 397 0.840 41.390 -5.537 -35.206 -99.200 -91.000 PHE 400 1.000 41.630 -4.733 -40.808 -99.200 -91.000 TYR 421 0.840 62.416 -18.957 -45.744 -99.200 -91.000 TRP 424 1.040 66.353 -19.121 -38.354 -99.200 -91.000 TRP6 424 1.020 64.239 -18.722 -37.333 -99.200 -91.000 TYR 428 0.840 70.461 -15.509 -34.780 -99.200 -91.000