============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. TYR 4 0.840 21.044 81.524 113.318 -99.200 -91.000 PHE 19 1.000 47.329 78.165 97.214 -99.200 -91.000 PHE 22 1.000 43.867 75.945 100.626 -99.200 -91.000 HIS 35 0.900 22.147 68.721 110.140 -99.200 -91.000 PHE 38 1.000 26.241 72.663 103.285 -99.200 -91.000 PHE 41 1.000 30.579 74.962 99.218 -99.200 -91.000 HIS 44 0.900 34.528 84.099 101.188 -99.200 -91.000 PHE 52 1.000 40.486 101.418 105.467 -99.200 -91.000 TYR 56 0.840 45.564 99.183 108.355 -99.200 -91.000 TYR 75 0.840 31.841 84.070 104.697 -99.200 -91.000 PHE 77 1.000 26.368 81.277 103.753 -99.200 -91.000 TRP 78 1.040 25.781 75.673 109.166 -99.200 -91.000 TRP6 78 1.020 25.837 73.402 108.676 -99.200 -91.000 TRP 81 1.040 22.729 78.989 116.998 -99.200 -91.000 TRP6 81 1.020 23.694 77.696 118.728 -99.200 -91.000 HIS 84 0.900 29.293 74.639 112.713 -99.200 -91.000 HIS 88 0.900 31.985 70.979 112.672 -99.200 -91.000 TRP 92 1.040 34.988 64.052 116.288 -99.200 -91.000 TRP6 92 1.020 35.824 66.221 115.789 -99.200 -91.000 TYR 94 0.840 33.589 59.257 106.415 -99.200 -91.000 PHE 96 1.000 40.953 64.686 114.479 -99.200 -91.000 TYR 100 0.840 45.985 65.878 113.057 -99.200 -91.000 TRP 108 1.040 45.348 81.811 114.550 -99.200 -91.000 TRP6 108 1.020 43.471 82.405 113.236 -99.200 -91.000 TRP 111 1.040 38.436 82.249 116.369 -99.200 -91.000 TRP6 111 1.020 38.219 81.463 118.579 -99.200 -91.000 TYR 115 0.840 30.624 85.782 112.415 -99.200 -91.000 TYR 119 0.840 21.339 95.432 104.733 -99.200 -91.000 PHE 131 1.000 23.184 88.807 79.404 -99.200 -91.000 PHE 139 1.000 11.644 92.963 81.069 -99.200 -91.000 TYR 154 0.840 30.956 78.210 90.555 -99.200 -91.000 PHE 161 1.000 35.880 88.716 107.000 -99.200 -91.000 HIS 164 0.900 33.002 97.479 110.612 -99.200 -91.000 PHE 174 1.000 28.428 98.108 113.382 -99.200 -91.000 PHE 191 1.000 26.118 96.911 96.992 -99.200 -91.000 PHE 210 1.000 38.331 68.760 120.620 -99.200 -91.000 PHE 215 1.000 46.742 70.994 124.302 -99.200 -91.000 HIS 216 0.900 47.283 66.284 127.332 -99.200 -91.000 TYR 234 0.840 34.459 77.047 124.001 -99.200 -91.000 TYR 246 0.840 27.825 94.227 115.182 -99.200 -91.000 HIS 249 0.900 30.664 88.566 102.362 -99.200 -91.000 TRP 252 1.040 32.735 96.095 96.612 -99.200 -91.000 TRP6 252 1.020 31.498 98.027 96.072 -99.200 -91.000 PHE 260 1.000 39.155 104.524 92.755 -99.200 -91.000 TYR 268 0.840 26.979 110.998 97.560 -99.200 -91.000 HIS 275 0.900 31.866 104.641 107.310 -99.200 -91.000 TYR 284 0.840 40.654 95.968 114.806 -99.200 -91.000 TYR 287 0.840 43.225 94.717 108.980 -99.200 -91.000 PHE 299 1.000 23.958 74.372 97.216 -99.200 -91.000 TRP 300 1.040 25.601 81.491 99.926 -99.200 -91.000 TRP6 300 1.020 24.925 83.478 100.981 -99.200 -91.000 TYR 303 0.840 17.373 78.683 104.011 -99.200 -91.000