============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 7 1.000 -53.056 41.014 -41.971 -99.200 -91.000 HIS 13 0.900 -65.261 55.014 -43.299 -99.200 -91.000 PHE 29 1.000 -63.658 33.513 -49.835 -99.200 -91.000 TYR 34 0.840 -66.642 22.700 -44.124 -99.200 -91.000 PHE 62 1.000 -75.860 26.799 -45.580 -99.200 -91.000 TYR 73 0.840 -76.240 40.499 -55.560 -99.200 -91.000 TYR 86 0.840 -64.131 32.249 -54.401 -99.200 -91.000 HIS 106 0.900 -85.447 42.615 -54.420 -99.200 -91.000 TYR 132 0.840 -76.313 53.428 -42.111 -99.200 -91.000 TYR 139 0.840 -74.724 63.758 -31.903 -99.200 -91.000 PHE 149 1.000 -85.984 49.141 -35.393 -99.200 -91.000 PHE 154 1.000 -90.202 47.351 -40.096 -99.200 -91.000 TYR 156 0.840 -83.047 39.163 -40.683 -99.200 -91.000 PHE 157 1.000 -91.620 40.474 -38.380 -99.200 -91.000 HIS 158 0.900 -92.411 42.977 -45.301 -99.200 -91.000 HIS 166 0.900 -92.882 28.975 -52.720 -99.200 -91.000 TYR 182 0.840 -78.380 37.021 -27.159 -99.200 -91.000 TYR 191 0.840 -76.207 46.046 -35.997 -99.200 -91.000 PHE 201 1.000 -88.872 36.777 -37.767 -99.200 -91.000 TRP 225 1.040 -61.124 41.922 -42.011 -99.200 -91.000 TRP6 225 1.020 -61.176 44.202 -41.367 -99.200 -91.000 PHE 233 1.000 -67.989 49.803 -36.052 -99.200 -91.000 PHE 241 1.000 -64.504 44.213 -36.035 -99.200 -91.000 TYR 253 0.840 -61.737 30.147 -41.032 -99.200 -91.000 TYR 259 0.840 -74.901 31.483 -40.299 -99.200 -91.000 TYR 261 0.840 -75.800 21.958 -34.501 -99.200 -91.000 TYR 269 0.840 -85.218 16.970 -28.860 -99.200 -91.000 HIS 275 0.900 -75.280 33.710 -27.884 -99.200 -91.000