============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. PHE 11 1.000 42.123 4.002 38.798 -99.200 -91.000 HIS 22 0.900 38.909 -0.148 53.747 -99.200 -91.000 PHE 24 1.000 39.934 -3.245 51.397 -99.200 -91.000 PHE 25 1.000 47.768 0.682 49.001 -99.200 -91.000 TYR 35 0.840 54.938 -3.998 53.405 -99.200 -91.000 TYR 39 0.840 55.401 6.924 55.980 -99.200 -91.000 PHE 41 1.000 45.686 6.040 49.622 -99.200 -91.000 TYR 53 0.840 44.137 -6.835 54.879 -99.200 -91.000 PHE 58 1.000 41.216 -8.360 49.391 -99.200 -91.000 HIS 77 0.900 57.592 -8.972 35.818 -99.200 -91.000 PHE 90 1.000 36.913 -12.178 48.368 -99.200 -91.000 PHE 102 1.000 57.361 -6.462 31.158 -99.200 -91.000 TYR 114 0.840 39.343 1.366 35.151 -99.200 -91.000 TYR 118 0.840 55.508 -3.774 36.202 -99.200 -91.000 TRP 120 1.040 61.257 -6.701 34.706 -99.200 -91.000 TRP6 120 1.020 62.274 -8.122 33.141 -99.200 -91.000 TYR 131 0.840 59.215 -0.054 44.706 -99.200 -91.000 TYR 135 0.840 55.185 6.377 45.740 -99.200 -91.000 PHE 139 1.000 52.230 10.737 45.976 -99.200 -91.000 PHE 151 1.000 49.164 13.667 39.389 -99.200 -91.000 TYR 165 0.840 65.665 4.522 40.772 -99.200 -91.000 PHE 179 1.000 75.585 -7.437 51.197 -99.200 -91.000 HIS 183 0.900 77.445 -9.226 54.448 -99.200 -91.000 TYR 190 0.840 68.576 -11.208 62.417 -99.200 -91.000 TYR 197 0.840 59.062 -3.999 57.944 -99.200 -91.000 TYR 201 0.840 57.832 -8.938 53.885 -99.200 -91.000 TYR 203 0.840 68.896 -7.255 49.878 -99.200 -91.000 TRP 211 1.040 67.719 -21.678 48.079 -99.200 -91.000 TRP6 211 1.020 68.711 -23.583 47.102 -99.200 -91.000 HIS 213 0.900 68.387 -19.974 57.575 -99.200 -91.000 HIS 215 0.900 62.650 -11.167 62.083 -99.200 -91.000 HIS 218 0.900 58.832 -0.490 62.807 -99.200 -91.000 TYR 222 0.840 67.860 -3.253 66.818 -99.200 -91.000 PHE 223 1.000 66.734 0.620 69.920 -99.200 -91.000 HIS 224 0.900 60.194 -1.300 72.781 -99.200 -91.000 PHE 227 1.000 67.323 -4.023 72.831 -99.200 -91.000 PHE 236 1.000 70.589 -6.816 63.018 -99.200 -91.000 PHE 255 1.000 71.569 -1.789 71.081 -99.200 -91.000 TYR 259 0.840 75.752 -2.067 73.259 -99.200 -91.000 TYR 271 0.840 71.567 6.499 48.273 -99.200 -91.000 PHE 273 1.000 66.495 11.119 47.610 -99.200 -91.000 TYR 283 0.840 54.966 10.961 51.083 -99.200 -91.000 TYR 296 0.840 74.940 -2.646 48.779 -99.200 -91.000 HIS 306 0.900 71.434 -19.543 45.259 -99.200 -91.000 HIS 310 0.900 69.088 -23.164 41.857 -99.200 -91.000 TYR 313 0.840 61.700 -26.442 48.105 -99.200 -91.000 TRP 314 1.040 58.345 -19.852 38.586 -99.200 -91.000 TRP6 314 1.020 60.273 -18.582 39.015 -99.200 -91.000 TYR 318 0.840 54.451 -23.745 45.167 -99.200 -91.000