============================================================================= 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 2 0.840 58.942 -13.779 -0.942 -99.200 -91.000 PHE 9 1.000 57.006 -11.535 -11.136 -99.200 -91.000 HIS 12 0.900 68.704 -4.895 -10.558 -99.200 -91.000 HIS 31 0.900 59.259 0.486 8.764 -99.200 -91.000 HIS 32 0.900 59.111 -2.578 11.563 -99.200 -91.000 PHE 33 1.000 56.842 -2.787 7.154 -99.200 -91.000 PHE 39 1.000 57.785 -2.400 1.209 -99.200 -91.000 PHE 40 1.000 61.194 -9.575 -2.170 -99.200 -91.000 HIS 42 0.900 66.581 -1.824 -6.309 -99.200 -91.000 TYR 52 0.840 66.578 12.899 -0.435 -99.200 -91.000 PHE 58 1.000 62.302 10.282 -2.946 -99.200 -91.000 TYR 59 0.840 55.491 11.480 -7.743 -99.200 -91.000 TYR 61 0.840 50.382 5.655 -7.812 -99.200 -91.000 HIS 72 0.900 40.556 -7.183 5.011 -99.200 -91.000 HIS 75 0.900 43.481 -4.655 2.743 -99.200 -91.000 PHE 79 1.000 47.559 2.977 2.555 -99.200 -91.000 PHE 81 1.000 59.348 0.989 3.086 -99.200 -91.000 TRP 84 1.040 60.937 4.994 8.281 -99.200 -91.000 TRP6 84 1.020 62.452 4.313 6.617 -99.200 -91.000 PHE 89 1.000 64.561 8.721 1.566 -99.200 -91.000 PHE 103 1.000 29.919 3.698 -11.822 -99.200 -91.000 TYR 104 0.840 34.861 2.927 -14.887 -99.200 -91.000 PHE 105 1.000 36.066 -6.510 -10.134 -99.200 -91.000 PHE 129 1.000 49.899 8.181 5.374 -99.200 -91.000 PHE 135 1.000 46.205 15.702 -4.674 -99.200 -91.000 PHE 137 1.000 44.956 10.892 -7.279 -99.200 -91.000 PHE 140 1.000 33.653 8.014 -9.713 -99.200 -91.000 TYR 142 0.840 44.492 15.223 -9.685 -99.200 -91.000 TYR 147 0.840 41.008 13.035 -21.022 -99.200 -91.000 PHE 157 1.000 49.064 1.351 -20.929 -99.200 -91.000 PHE 166 1.000 45.936 -4.612 -16.289 -99.200 -91.000 PHE 168 1.000 40.629 -5.351 -18.139 -99.200 -91.000 TRP 177 1.040 37.772 -4.045 -22.367 -99.200 -91.000 TRP6 177 1.020 39.363 -5.334 -23.509 -99.200 -91.000 PHE 179 1.000 41.529 1.969 -12.660 -99.200 -91.000 PHE 188 1.000 54.487 7.679 -16.278 -99.200 -91.000 PHE 192 1.000 49.522 13.404 -8.848 -99.200 -91.000 HIS 194 0.900 48.136 19.398 -6.670 -99.200 -91.000 PHE 196 1.000 55.634 16.211 -7.827 -99.200 -91.000 PHE 204 1.000 63.984 8.356 -10.737 -99.200 -91.000 TYR 216 0.840 50.055 -2.118 -13.121 -99.200 -91.000 PHE 217 1.000 54.685 -0.269 -12.097 -99.200 -91.000 TYR 229 0.840 55.168 12.076 -19.128 -99.200 -91.000 HIS 236 0.900 59.021 -5.253 -6.847 -99.200 -91.000 PHE 239 1.000 53.110 -13.262 -2.453 -99.200 -91.000 PHE 240 1.000 49.607 -9.444 7.112 -99.200 -91.000 TRP 266 1.040 49.582 -12.103 11.183 -99.200 -91.000 TRP6 266 1.020 47.824 -10.573 11.512 -99.200 -91.000 PHE 269 1.000 54.660 -8.634 7.179 -99.200 -91.000 PHE 270 1.000 51.069 -5.715 11.622 -99.200 -91.000 HIS 302 0.900 42.684 3.544 11.737 -99.200 -91.000 PHE 317 1.000 45.310 14.815 5.196 -99.200 -91.000