============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 75 rings ring int. center anis. iso. PHE 5 1.000 -68.811 -18.253 55.204 -99.200 -91.000 TYR 9 0.840 -75.149 -19.526 52.636 -99.200 -91.000 PHE 22 1.000 -78.398 -42.211 48.324 -99.200 -91.000 PHE 24 1.000 -76.108 -38.710 53.714 -99.200 -91.000 TRP 25 1.040 -73.198 -30.787 53.354 -99.200 -91.000 TRP6 25 1.020 -75.492 -30.320 53.655 -99.200 -91.000 PHE 29 1.000 -64.797 -34.059 51.126 -99.200 -91.000 TYR 30 0.840 -75.227 -32.505 48.706 -99.200 -91.000 PHE 33 1.000 -77.946 -41.906 42.097 -99.200 -91.000 PHE 34 1.000 -76.306 -37.726 39.793 -99.200 -91.000 PHE 39 1.000 -66.628 -44.736 48.426 -99.200 -91.000 PHE 40 1.000 -70.170 -49.064 41.658 -99.200 -91.000 PHE 41 1.000 -69.936 -44.958 37.907 -99.200 -91.000 TRP 51 1.040 -56.496 -58.088 40.085 -99.200 -91.000 TRP6 51 1.020 -58.223 -58.625 38.560 -99.200 -91.000 TRP 59 1.040 -48.339 -53.461 44.966 -99.200 -91.000 TRP6 59 1.020 -50.445 -52.501 45.463 -99.200 -91.000 TYR 67 0.840 -48.597 -50.111 29.034 -99.200 -91.000 TYR 73 0.840 -57.083 -58.027 22.113 -99.200 -91.000 TRP 86 1.040 -57.025 -47.834 28.810 -99.200 -91.000 TRP6 86 1.020 -58.713 -47.312 27.247 -99.200 -91.000 PHE 97 1.000 -62.745 -38.347 34.989 -99.200 -91.000 TRP 100 1.040 -66.098 -33.593 40.943 -99.200 -91.000 TRP6 100 1.020 -65.500 -34.441 43.060 -99.200 -91.000 TYR 115 0.840 -78.004 -25.203 37.045 -99.200 -91.000 HIS 116 0.900 -72.705 -19.131 35.027 -99.200 -91.000 PHE 119 1.000 -71.507 -24.613 29.333 -99.200 -91.000 PHE 121 1.000 -65.309 -32.106 35.895 -99.200 -91.000 PHE 123 1.000 -66.724 -26.158 26.935 -99.200 -91.000 TYR 128 0.840 -61.071 -39.707 30.318 -99.200 -91.000 PHE 134 1.000 -66.718 -38.277 22.341 -99.200 -91.000 TRP 142 1.040 -62.099 -50.183 22.509 -99.200 -91.000 TRP6 142 1.020 -63.424 -48.264 22.908 -99.200 -91.000 TYR 144 0.840 -55.198 -46.072 16.123 -99.200 -91.000 PHE 146 1.000 -55.077 -40.595 28.242 -99.200 -91.000 TYR 148 0.840 -56.723 -44.584 31.497 -99.200 -91.000 TRP 151 1.040 -42.756 -40.759 34.962 -99.200 -91.000 TRP6 151 1.020 -42.140 -38.546 34.438 -99.200 -91.000 HIS 153 0.900 -49.865 -38.889 31.239 -99.200 -91.000 TRP 156 1.040 -51.376 -42.065 23.182 -99.200 -91.000 TRP6 156 1.020 -52.390 -39.932 23.175 -99.200 -91.000 TYR 162 0.840 -41.533 -35.750 17.854 -99.200 -91.000 TYR 164 0.840 -50.737 -37.909 13.202 -99.200 -91.000 PHE 167 1.000 -50.418 -33.121 16.934 -99.200 -91.000 HIS 168 0.900 -43.907 -26.958 18.174 -99.200 -91.000 TYR 169 0.840 -44.614 -26.651 10.978 -99.200 -91.000 HIS 173 0.900 -50.522 -28.573 19.355 -99.200 -91.000 PHE 179 1.000 -58.679 -18.951 22.143 -99.200 -91.000 PHE 180 1.000 -54.474 -25.106 27.253 -99.200 -91.000 PHE 181 1.000 -47.831 -20.469 25.120 -99.200 -91.000 HIS 190 0.900 -59.314 -11.101 38.232 -99.200 -91.000 HIS 211 0.900 -58.062 4.178 43.401 -99.200 -91.000 PHE 215 1.000 -51.477 -1.326 36.766 -99.200 -91.000 PHE 216 1.000 -54.238 -4.268 33.055 -99.200 -91.000 TYR 222 0.840 -60.867 -2.567 26.796 -99.200 -91.000 HIS 230 0.900 -63.998 -12.083 37.862 -99.200 -91.000 PHE 242 1.000 -64.598 -25.954 19.983 -99.200 -91.000 PHE 243 1.000 -60.476 -23.176 18.501 -99.200 -91.000 TRP 255 1.040 -53.001 -33.546 8.121 -99.200 -91.000 TRP6 255 1.020 -52.817 -32.755 5.904 -99.200 -91.000 PHE 256 1.000 -54.787 -39.927 5.930 -99.200 -91.000 TRP 259 1.040 -51.396 -32.117 11.980 -99.200 -91.000 TRP6 259 1.020 -53.285 -31.166 10.931 -99.200 -91.000 TRP 262 1.040 -54.110 -28.070 6.536 -99.200 -91.000 TRP6 262 1.020 -54.163 -25.844 7.334 -99.200 -91.000 TRP 263 1.040 -49.280 -25.085 8.240 -99.200 -91.000 TRP6 263 1.020 -50.390 -23.159 9.017 -99.200 -91.000 TRP 265 1.040 -54.310 -24.168 3.220 -99.200 -91.000 TRP6 265 1.020 -55.460 -22.171 2.691 -99.200 -91.000 TRP 266 1.040 -50.655 -18.395 2.525 -99.200 -91.000 TRP6 266 1.020 -52.522 -16.987 2.882 -99.200 -91.000 TRP 271 1.040 -53.430 -15.061 -4.980 -99.200 -91.000 TRP6 271 1.020 -55.468 -16.122 -4.430 -99.200 -91.000 TRP 272 1.040 -49.771 -16.648 -3.026 -99.200 -91.000 TRP6 272 1.020 -50.722 -15.008 -1.618 -99.200 -91.000