============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 10 1.000 35.557 -27.989 26.692 -99.200 -91.000 PHE 18 1.000 40.369 -24.732 27.647 -99.200 -91.000 HIS 43 0.900 30.869 -25.053 15.857 -99.200 -91.000 TYR 47 0.840 32.331 -20.214 15.978 -99.200 -91.000 PHE 54 1.000 39.408 -19.506 23.701 -99.200 -91.000 PHE 65 1.000 39.939 -29.188 23.016 -99.200 -91.000 PHE 75 1.000 42.092 -38.534 27.744 -99.200 -91.000 TRP 85 1.040 41.259 -37.934 35.937 -99.200 -91.000 TRP6 85 1.020 41.196 -37.035 33.738 -99.200 -91.000 PHE 99 1.000 24.512 -37.505 34.046 -99.200 -91.000 TYR 100 0.840 31.267 -39.430 37.750 -99.200 -91.000 HIS 109 0.900 36.509 -37.424 38.111 -99.200 -91.000 PHE 132 1.000 38.261 -17.291 46.805 -99.200 -91.000 HIS 136 0.900 38.398 -18.013 50.602 -99.200 -91.000 PHE 167 1.000 21.548 -4.325 59.116 -99.200 -91.000 HIS 178 0.900 18.984 -20.056 37.503 -99.200 -91.000 TYR 180 0.840 16.408 -20.508 28.128 -99.200 -91.000 HIS 191 0.900 13.129 -32.911 33.803 -99.200 -91.000 PHE 271 1.000 28.035 -8.499 48.553 -99.200 -91.000 TYR 273 0.840 26.615 -0.381 46.825 -99.200 -91.000 TYR 288 0.840 31.911 -7.343 40.736 -99.200 -91.000 PHE 292 1.000 22.705 -4.937 48.272 -99.200 -91.000 TRP 313 1.040 21.035 -7.243 39.145 -99.200 -91.000 TRP6 313 1.020 19.277 -7.843 37.691 -99.200 -91.000 TYR 314 0.840 22.229 -15.898 40.695 -99.200 -91.000 TYR 320 0.840 29.164 -22.625 40.468 -99.200 -91.000 TYR 330 0.840 42.307 -20.713 50.170 -99.200 -91.000