============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 71 rings ring int. center anis. iso. HIS 7 0.900 68.324 19.777 120.727 -99.200 -91.000 PHE 12 1.000 57.121 25.012 118.914 -99.200 -91.000 TYR 30 0.840 55.318 39.918 104.337 -99.200 -91.000 HIS 34 0.900 55.460 39.268 100.380 -99.200 -91.000 PHE 41 1.000 71.071 36.341 94.578 -99.200 -91.000 HIS 51 0.900 81.857 40.276 106.079 -99.200 -91.000 PHE 59 1.000 71.343 27.084 107.472 -99.200 -91.000 PHE 66 1.000 75.976 35.396 112.028 -99.200 -91.000 TRP 70 1.040 76.468 23.192 105.152 -99.200 -91.000 TRP6 70 1.020 75.117 22.272 106.835 -99.200 -91.000 HIS 72 0.900 84.073 29.262 103.783 -99.200 -91.000 HIS 74 0.900 82.433 31.563 108.523 -99.200 -91.000 PHE 75 1.000 72.705 30.297 112.450 -99.200 -91.000 HIS 78 0.900 74.726 33.854 115.759 -99.200 -91.000 HIS 84 0.900 71.310 33.882 119.540 -99.200 -91.000 PHE 86 1.000 65.903 25.997 117.907 -99.200 -91.000 PHE 96 1.000 70.655 22.255 110.074 -99.200 -91.000 PHE 98 1.000 72.803 25.707 112.175 -99.200 -91.000 TYR 103 0.840 67.347 22.321 106.740 -99.200 -91.000 TYR 118 0.840 42.990 32.397 112.098 -99.200 -91.000 TRP 119 1.040 48.243 23.792 114.694 -99.200 -91.000 TRP6 119 1.020 48.345 23.653 112.347 -99.200 -91.000 PHE 148 1.000 34.994 10.406 75.072 -99.200 -91.000 HIS 158 0.900 46.503 12.834 89.384 -99.200 -91.000 TYR 161 0.840 48.987 26.961 87.810 -99.200 -91.000 PHE 162 1.000 39.681 21.364 88.560 -99.200 -91.000 HIS 165 0.900 38.738 26.987 90.719 -99.200 -91.000 HIS 171 0.900 31.442 25.516 90.961 -99.200 -91.000 PHE 184 1.000 29.522 19.112 82.187 -99.200 -91.000 HIS 193 0.900 34.075 15.150 99.591 -99.200 -91.000 TYR 196 0.840 44.010 14.863 95.368 -99.200 -91.000 PHE 209 1.000 34.385 8.357 84.845 -99.200 -91.000 TYR 211 0.840 26.702 12.663 91.929 -99.200 -91.000 TRP 217 1.040 22.191 11.262 78.070 -99.200 -91.000 TRP6 217 1.020 20.120 12.244 78.583 -99.200 -91.000 TYR 226 0.840 26.382 3.661 73.204 -99.200 -91.000 HIS 232 0.900 42.139 19.628 71.079 -99.200 -91.000 PHE 234 1.000 35.282 14.832 78.516 -99.200 -91.000 TRP 235 1.040 42.039 20.540 77.267 -99.200 -91.000 TRP6 235 1.020 42.541 20.427 79.564 -99.200 -91.000 PHE 237 1.000 31.176 18.965 77.030 -99.200 -91.000 HIS 243 0.900 34.149 31.389 80.149 -99.200 -91.000 TYR 246 0.840 34.393 33.604 86.596 -99.200 -91.000 HIS 262 0.900 38.503 31.871 79.334 -99.200 -91.000 PHE 265 1.000 44.266 24.819 81.807 -99.200 -91.000 PHE 289 1.000 48.365 30.128 73.091 -99.200 -91.000 TYR 303 0.840 62.652 22.253 72.215 -99.200 -91.000 PHE 309 1.000 51.577 27.336 66.040 -99.200 -91.000 HIS 310 0.900 58.270 31.723 65.716 -99.200 -91.000 PHE 318 1.000 46.271 38.770 53.306 -99.200 -91.000 TYR 320 0.840 50.645 42.985 52.167 -99.200 -91.000 HIS 321 0.900 48.367 48.481 47.050 -99.200 -91.000 HIS 338 0.900 50.945 40.143 72.498 -99.200 -91.000 PHE 351 1.000 44.245 14.839 63.800 -99.200 -91.000 HIS 353 0.900 39