============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. TYR 17 0.840 118.899 -6.462 -37.584 -99.200 -91.000 PHE 31 1.000 109.917 -12.762 -22.256 -99.200 -91.000 TYR 32 0.840 111.199 -10.889 -26.821 -99.200 -91.000 HIS 39 0.900 110.011 2.137 -25.581 -99.200 -91.000 TYR 42 0.840 105.650 -2.082 -40.082 -99.200 -91.000 TYR 49 0.840 110.568 -5.109 -38.600 -99.200 -91.000 PHE 53 1.000 114.068 5.738 -22.128 -99.200 -91.000 PHE 56 1.000 121.611 6.195 -34.238 -99.200 -91.000 HIS 58 0.900 112.543 0.002 -38.502 -99.200 -91.000 HIS 59 0.900 115.299 -3.572 -37.145 -99.200 -91.000 PHE 76 1.000 128.178 -8.865 -35.216 -99.200 -91.000 TYR 90 0.840 137.507 -10.952 -43.564 -99.200 -91.000 TYR 91 0.840 132.146 -13.241 -43.194 -99.200 -91.000 PHE 105 1.000 119.279 -10.624 -46.561 -99.200 -91.000 PHE 121 1.000 127.041 -19.329 -34.079 -99.200 -91.000 TYR 123 0.840 128.745 -13.398 -37.066 -99.200 -91.000 PHE 125 1.000 129.436 -8.863 -41.167 -99.200 -91.000 PHE 126 1.000 122.582 -2.732 -39.984 -99.200 -91.000 PHE 127 1.000 126.232 3.886 -43.170 -99.200 -91.000 HIS 131 0.900 119.725 7.641 -38.637 -99.200 -91.000 HIS 136 0.900 118.431 10.919 -25.664 -99.200 -91.000 TYR 139 0.840 114.438 10.625 -18.465 -99.200 -91.000 TYR 142 0.840 113.728 4.839 -17.182 -99.200 -91.000 HIS 152 0.900 126.357 -9.400 -23.935 -99.200 -91.000 PHE 153 1.000 124.218 -10.189 -31.732 -99.200 -91.000 TYR 166 0.840 134.943 -15.907 -38.153 -99.200 -91.000 PHE 172 1.000 133.564 -8.944 -33.610 -99.200 -91.000 TYR 186 0.840 139.367 -25.026 -21.415 -99.200 -91.000 TRP 189 1.040 132.645 -12.765 -22.122 -99.200 -91.000 TRP6 189 1.020 133.490 -14.819 -21.270 -99.200 -91.000 HIS 191 0.900 136.352 -3.631 -27.674 -99.200 -91.000 HIS 197 0.900 130.054 -9.569 -23.736 -99.200 -91.000 HIS 210 0.900 124.042 -19.255 -22.834 -99.200 -91.000 HIS 211 0.900 123.896 -14.542 -23.165 -99.200 -91.000 PHE 214 1.000 117.521 -6.078 -25.826 -99.200 -91.000 HIS 217 0.900 119.207 4.589 -18.133 -99.200 -91.000 HIS 220 0.900 116.755 1.648 -9.906 -99.200 -91.000 HIS 245 0.900 127.638 -13.713 -15.501 -99.200 -91.000 PHE 251 1.000 122.437 -6.876 -10.080 -99.200 -91.000 TYR 252 0.840 124.286 -13.468 -13.356 -99.200 -91.000 TYR 254 0.840 122.440 -14.886 -18.161 -99.200 -91.000 HIS 261 0.900 114.487 -17.956 -29.661 -99.200 -91.000 TYR 266 0.840 125.186 -5.665 -19.575 -99.200 -91.000 TYR 270 0.840 135.824 -3.910 -17.972 -99.200 -91.000 TYR 271 0.840 137.727 3.377 -23.080 -99.200 -91.000 TRP 282 1.040 138.025 -13.767 -15.448 -99.200 -91.000 TRP6 282 1.020 137.368 -13.269 -13.223 -99.200 -91.000 HIS 285 0.900 140.790 -26.442 -12.721 -99.200 -91.000 TRP 292 1.040 132.733 -10.404 -6.953 -99.200 -91.000 TRP6 292 1.020 135.015 -10.690 -7.593 -99.200 -91.000 TRP 293 1.040 127.665 -11.128 -5.508 -99.200 -91.000 TRP6 293 1.020 125.495 -10.489 -6.206 -99.200 -91.000 TRP 301 1.040 123.372 -19.177 -18.136 -99.200 -91.000 TRP6 301 1.020 125.697 -19.045 -18.557 -99.200 -91.000 TYR 302 0.840 126.943 -23.561 -16.801 -99.200 -91.000