============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. PHE 3 1.000 27.542 -12.281 16.978 -99.200 -91.000 TYR 7 0.840 31.572 -9.459 19.646 -99.200 -91.000 PHE 24 1.000 27.397 11.849 30.679 -99.200 -91.000 TRP 30 1.040 35.998 -1.246 36.923 -99.200 -91.000 TRP6 30 1.020 35.086 -2.724 35.291 -99.200 -91.000 HIS 38 0.900 33.985 6.548 34.383 -99.200 -91.000 PHE 49 1.000 24.316 -12.165 12.041 -99.200 -91.000 TRP 64 1.040 25.271 -24.422 23.713 -99.200 -91.000 TRP6 64 1.020 23.440 -25.906 23.400 -99.200 -91.000 TRP 73 1.040 11.547 -16.992 33.493 -99.200 -91.000 TRP6 73 1.020 12.681 -14.945 33.842 -99.200 -91.000 TRP 75 1.040 10.337 -14.048 23.512 -99.200 -91.000 TRP6 75 1.020 8.981 -13.129 21.780 -99.200 -91.000 HIS 91 0.900 20.435 -20.330 40.927 -99.200 -91.000 TRP 93 1.040 17.448 -13.395 34.191 -99.200 -91.000 TRP6 93 1.020 16.204 -11.589 33.303 -99.200 -91.000 TRP 96 1.040 18.469 -6.910 38.271 -99.200 -91.000 TRP6 96 1.020 20.027 -7.956 36.862 -99.200 -91.000 HIS 105 0.900 2.726 -5.703 36.999 -99.200 -91.000 TYR 107 0.840 13.515 -8.684 30.280 -99.200 -91.000 PHE 109 1.000 2.498 -8.640 34.452 -99.200 -91.000 TYR 128 0.840 -3.056 -9.734 17.236 -99.200 -91.000 HIS 131 0.900 -5.220 -15.419 13.975 -99.200 -91.000 HIS 142 0.900 2.836 -10.054 11.021 -99.200 -91.000 TRP 147 1.040 10.020 1.659 26.864 -99.200 -91.000 TRP6 147 1.020 12.089 1.483 28.009 -99.200 -91.000 TYR 162 0.840 13.087 -1.376 22.789 -99.200 -91.000 TRP 166 1.040 8.332 -11.435 14.849 -99.200 -91.000 TRP6 166 1.020 9.599 -13.421 14.961 -99.200 -91.000 TYR 167 0.840 10.074 -6.658 8.721 -99.200 -91.000 HIS 170 0.900 8.540 -13.247 -3.203 -99.200 -91.000 HIS 174 0.900 12.821 -11.782 5.080 -99.200 -91.000 PHE 190 1.000 22.432 -15.164 27.444 -99.200 -91.000 PHE 193 1.000 22.523 -19.816 20.256 -99.200 -91.000 TYR 195 0.840 15.060 -11.824 21.413 -99.200 -91.000 TYR 208 0.840 5.079 -18.045 6.978 -99.200 -91.000 TYR 213 0.840 18.899 -12.579 14.449 -99.200 -91.000 PHE 215 1.000 20.693 -8.020 18.891 -99.200 -91.000 HIS 221 0.900 26.982 -0.432 27.511 -99.200 -91.000 TYR 223 0.840 30.595 -1.658 31.938 -99.200 -91.000 HIS 226 0.900 34.250 -6.130 30.774 -99.200 -91.000 PHE 239 1.000 38.528 -22.816 15.569 -99.200 -91.000 TRP 245 1.040 18.208 -32.338 15.793 -99.200 -91.000 TRP6 245 1.020 17.166 -32.708 17.873 -99.200 -91.000 PHE 253 1.000 6.983 -20.054 21.065 -99.200 -91.000 TYR 254 0.840 2.355 -21.414 23.737 -99.200 -91.000 PHE 256 1.000 10.060 -25.771 19.224 -99.200 -91.000 PHE 261 1.000 15.355 -25.334 21.192 -99.200 -91.000 TYR 266 0.840 30.067 -22.921 20.215 -99.200 -91.000 HIS 268 0.900 34.440 -23.211 22.950 -99.200 -91.000 PHE 274 1.000 35.321 -10.824 28.630 -99.200 -91.000