============================================================================= 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. PHE 17 1.000 -2.558 -17.879 4.544 -99.200 -91.000 TYR 30 0.840 0.880 -16.456 13.673 -99.200 -91.000 PHE 33 1.000 0.327 -9.433 13.857 -99.200 -91.000 HIS 37 0.900 -7.797 -12.420 19.866 -99.200 -91.000 PHE 40 1.000 -6.702 -4.614 23.012 -99.200 -91.000 HIS 53 0.900 -12.139 -9.992 21.491 -99.200 -91.000 PHE 58 1.000 -16.411 -9.582 16.970 -99.200 -91.000 TRP 61 1.040 -9.209 -4.090 18.610 -99.200 -91.000 TRP6 61 1.020 -8.291 -6.267 18.538 -99.200 -91.000 HIS 62 0.900 -11.707 -9.231 16.477 -99.200 -91.000 PHE 65 1.000 -5.107 -9.025 15.973 -99.200 -91.000 PHE 69 1.000 -1.384 -12.764 10.105 -99.200 -91.000 TYR 84 0.840 -14.277 -15.002 1.334 -99.200 -91.000 TRP 85 1.040 -13.953 -22.228 6.857 -99.200 -91.000 TRP6 85 1.020 -13.794 -22.642 9.191 -99.200 -91.000 TRP 87 1.040 -17.374 -19.420 9.538 -99.200 -91.000 TRP6 87 1.020 -19.445 -18.384 9.874 -99.200 -91.000 TRP 98 1.040 -10.895 -27.839 8.090 -99.200 -91.000 TRP6 98 1.020 -9.941 -26.468 9.755 -99.200 -91.000 PHE 102 1.000 -5.592 -22.883 2.622 -99.200 -91.000 PHE 119 1.000 0.226 -23.363 9.139 -99.200 -91.000 TRP 126 1.040 1.773 -22.952 14.272 -99.200 -91.000 TRP6 126 1.020 2.003 -21.009 12.979 -99.200 -91.000 TYR 137 0.840 0.502 -31.105 21.946 -99.200 -91.000 TYR 164 0.840 -22.112 -2.030 14.164 -99.200 -91.000 TYR 169 0.840 -24.373 0.924 22.240 -99.200 -91.000 PHE 176 1.000 -24.179 -7.620 11.313 -99.200 -91.000 HIS 179 0.900 -28.884 -11.456 17.753 -99.200 -91.000 TRP 183 1.040 -20.261 -12.543 23.229 -99.200 -91.000 TRP6 183 1.020 -19.119 -14.189 24.500 -99.200 -91.000 HIS 189 0.900 -16.152 -14.436 16.910 -99.200 -91.000 HIS 193 0.900 -12.667 -17.867 17.794 -99.200 -91.000 TRP 195 1.040 -17.454 -27.475 13.770 -99.200 -91.000 TRP6 195 1.020 -15.754 -27.610 12.139 -99.200 -91.000 PHE 211 1.000 -7.974 -14.577 15.364 -99.200 -91.000 TRP 212 1.040 -4.216 -14.985 11.344 -99.200 -91.000 TRP6 212 1.020 -4.205 -12.939 12.548 -99.200 -91.000 HIS 214 0.900 -14.487 -17.367 12.794 -99.200 -91.000 HIS 215 0.900 -12.153 -12.836 14.145 -99.200 -91.000 TYR 217 0.840 -18.239 -16.136 5.656 -99.200 -91.000 TRP 222 1.040 -19.302 -4.160 9.654 -99.200 -91.000 TRP6 222 1.020 -17.236 -3.162 10.186 -99.200 -91.000 TRP 225 1.040 -25.913 -5.331 9.155 -99.200 -91.000 TRP6 225 1.020 -25.100 -3.148 9.565 -99.200 -91.000 HIS 229 0.900 -29.953 -4.493 7.111 -99.200 -91.000 TYR 234 0.840 -18.987 1.691 15.645 -99.200 -91.000 TRP 253 1.040 -4.033 -0.761 15.727 -99.200 -91.000 TRP6 253 1.020 -6.146 -1.729 16.198 -99.200 -91.000 HIS 264 0.900 -15.478 -3.742 1.818 -99.200 -91.000 TYR 267 0.840 -8.562 0.341 5.278 -99.200 -91.000 TYR 268 0.840 -10.245 -5.664 3.348 -99.200 -91.000 PHE 270 1.000 -14.668 -8.916 1.510 -99.200 -91.000