============================================================================= 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 14.364 72.346 -66.658 -99.200 -91.000 TRP6 8 1.020 12.609 73.561 -67.648 -99.200 -91.000 HIS 12 0.900 28.613 66.543 -69.499 -99.200 -91.000 PHE 23 1.000 28.719 69.277 -61.183 -99.200 -91.000 PHE 37 1.000 20.842 50.557 -69.374 -99.200 -91.000 TYR 44 0.840 29.141 50.019 -61.945 -99.200 -91.000 TYR 46 0.840 32.654 54.601 -65.571 -99.200 -91.000 HIS 47 0.900 31.303 60.574 -70.156 -99.200 -91.000 PHE 53 1.000 41.417 71.023 -70.529 -99.200 -91.000 TRP 60 1.040 32.682 54.493 -59.111 -99.200 -91.000 TRP6 60 1.020 31.601 52.746 -57.937 -99.200 -91.000 TYR 62 0.840 27.886 49.825 -56.329 -99.200 -91.000 PHE 63 1.000 19.766 53.684 -62.661 -99.200 -91.000 PHE 66 1.000 23.365 59.816 -59.489 -99.200 -91.000 TYR 73 0.840 21.295 65.687 -52.324 -99.200 -91.000 TYR 81 0.840 12.442 69.502 -51.198 -99.200 -91.000 PHE 85 1.000 18.121 67.267 -58.520 -99.200 -91.000 PHE 88 1.000 16.142 61.958 -61.837 -99.200 -91.000 TYR 117 0.840 13.342 60.337 -58.138 -99.200 -91.000 TRP 118 1.040 9.035 58.594 -59.466 -99.200 -91.000 TRP6 118 1.020 9.373 57.561 -61.559 -99.200 -91.000 TYR 128 0.840 8.158 67.495 -63.585 -99.200 -91.000 HIS 138 0.900 18.588 51.124 -78.239 -99.200 -91.000 TYR 139 0.840 10.422 51.211 -81.657 -99.200 -91.000 PHE 141 1.000 15.035 52.458 -71.371 -99.200 -91.000 PHE 145 1.000 10.248 54.566 -67.177 -99.200 -91.000 HIS 154 0.900 3.420 52.527 -58.368 -99.200 -91.000 TYR 163 0.840 9.041 59.215 -72.339 -99.200 -91.000 PHE 165 1.000 12.342 57.706 -77.848 -99.200 -91.000 TYR 169 0.840 25.722 61.457 -82.666 -99.200 -91.000 HIS 180 0.900 6.048 63.677 -84.522 -99.200 -91.000 TYR 183 0.840 10.549 61.537 -79.179 -99.200 -91.000 HIS 191 0.900 4.840 63.933 -70.269 -99.200 -91.000 TRP 193 1.040 12.939 68.151 -71.859 -99.200 -91.000 TRP6 193 1.020 14.581 69.050 -70.420 -99.200 -91.000 PHE 201 1.000 28.205 64.902 -88.700 -99.200 -91.000 PHE 223 1.000 9.298 66.110 -83.042 -99.200 -91.000 TYR 228 0.840 18.723 67.847 -72.989 -99.200 -91.000 TYR 229 0.840 24.737 73.443 -78.148 -99.200 -91.000 TRP 230 1.040 25.129 67.424 -75.642 -99.200 -91.000 TRP6 230 1.020 23.445 65.915 -74.947 -99.200 -91.000 TYR 253 0.840 33.350 74.124 -65.414 -99.200 -91.000 TYR 266 0.840 22.495 87.494 -72.307 -99.200 -91.000 TYR 270 0.840 17.465 84.455 -72.709 -99.200 -91.000 TYR 275 0.840 7.776 70.179 -58.671 -99.200 -91.000 TRP 280 1.040 6.858 66.353 -68.505 -99.200 -91.000 TRP6 280 1.020 9.180 65.963 -68.706 -99.200 -91.000 PHE 283 1.000 8.904 81.093 -72.915 -99.200 -91.000