============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TRP 8 1.040 54.352 47.390 -82.224 -99.200 -91.000 TRP6 8 1.020 56.286 46.411 -81.267 -99.200 -91.000 HIS 12 0.900 42.882 57.818 -79.570 -99.200 -91.000 PHE 23 1.000 45.295 58.991 -87.864 -99.200 -91.000 PHE 37 1.000 31.927 43.738 -79.788 -99.200 -91.000 TYR 44 0.840 27.848 50.766 -87.205 -99.200 -91.000 TYR 46 0.840 30.433 56.063 -83.628 -99.200 -91.000 HIS 47 0.900 36.284 57.453 -78.966 -99.200 -91.000 PHE 53 1.000 41.028 70.947 -78.468 -99.200 -91.000 TRP 60 1.040 30.309 55.897 -90.196 -99.200 -91.000 TRP6 60 1.020 29.224 54.077 -91.258 -99.200 -91.000 TYR 62 0.840 28.338 49.746 -92.863 -99.200 -91.000 PHE 63 1.000 35.207 44.089 -86.461 -99.200 -91.000 PHE 66 1.000 39.261 50.021 -89.581 -99.200 -91.000 TYR 73 0.840 45.601 50.694 -96.686 -99.200 -91.000 TYR 81 0.840 52.917 44.491 -97.752 -99.200 -91.000 PHE 85 1.000 48.198 48.626 -90.476 -99.200 -91.000 PHE 88 1.000 44.451 44.634 -87.289 -99.200 -91.000 TYR 117 0.840 44.135 41.311 -90.903 -99.200 -91.000 TRP 118 1.040 44.377 36.651 -89.695 -99.200 -91.000 TRP6 118 1.020 43.370 36.459 -87.574 -99.200 -91.000 TYR 128 0.840 52.882 39.828 -85.227 -99.200 -91.000 HIS 138 0.900 33.445 41.961 -70.832 -99.200 -91.000 TYR 139 0.840 37.151 34.532 -67.476 -99.200 -91.000 PHE 141 1.000 36.227 39.350 -77.620 -99.200 -91.000 PHE 145 1.000 40.279 36.034 -81.808 -99.200 -91.000 HIS 154 0.900 41.792 28.767 -90.854 -99.200 -91.000 TYR 163 0.840 45.043 36.936 -76.619 -99.200 -91.000 PHE 165 1.000 42.010 39.316 -71.090 -99.200 -91.000 TYR 169 0.840 39.498 53.080 -66.615 -99.200 -91.000 HIS 180 0.900 50.405 36.585 -64.156 -99.200 -91.000 TYR 183 0.840 46.211 39.268 -69.937 -99.200 -91.000 HIS 191 0.900 51.099 35.183 -78.717 -99.200 -91.000 TRP 193 1.040 51.209 44.158 -77.067 -99.200 -91.000 TRP6 193 1.020 51.398 46.051 -78.443 -99.200 -91.000 PHE 201 1.000 41.380 56.829 -59.714 -99.200 -91.000 PHE 223 1.000 50.875 39.987 -66.028 -99.200 -91.000 TYR 228 0.840 48.385 49.224 -75.981 -99.200 -91.000 TYR 229 0.840 50.509 57.517 -71.001 -99.200 -91.000 TRP 230 1.040 45.945 52.985 -75.096 -99.200 -91.000 TRP6 230 1.020 44.013 52.440 -76.357 -99.200 -91.000 TYR 253 0.840 47.511 65.238 -83.472 -99.200 -91.000 TYR 266 0.840 64.158 61.272 -76.302 -99.200 -91.000 TYR 270 0.840 63.760 55.581 -75.937 -99.200 -91.000 TYR 275 0.840 55.499 40.718 -90.189 -99.200 -91.000 TRP 280 1.040 52.241 38.073 -80.385 -99.200 -91.000 TRP6 280 1.020 50.875 39.995 -80.139 -99.200 -91.000 PHE 283 1.000 64.670 46.558 -75.640 -99.200 -91.000