============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 66 rings ring int. center anis. iso. TYR 5 0.840 44.076 45.786 163.002 -99.200 -91.000 HIS 23 0.900 36.941 53.810 164.108 -99.200 -91.000 PHE 35 1.000 33.029 23.833 154.692 -99.200 -91.000 TYR 39 0.840 27.608 16.941 147.262 -99.200 -91.000 TRP 44 1.040 19.537 12.196 151.446 -99.200 -91.000 TRP6 44 1.020 19.756 10.718 153.299 -99.200 -91.000 HIS 47 0.900 28.515 21.924 154.711 -99.200 -91.000 TRP 53 1.040 36.578 23.514 166.196 -99.200 -91.000 TRP6 53 1.020 36.292 25.748 166.943 -99.200 -91.000 TRP 89 1.040 27.089 20.391 170.384 -99.200 -91.000 TRP6 89 1.020 26.005 22.122 169.168 -99.200 -91.000 TYR 98 0.840 23.369 12.046 160.079 -99.200 -91.000 TRP 103 1.040 22.477 26.274 152.480 -99.200 -91.000 TRP6 103 1.020 21.799 26.740 150.258 -99.200 -91.000 HIS 114 0.900 3.988 12.515 155.320 -99.200 -91.000 TYR 123 0.840 1.148 27.757 163.894 -99.200 -91.000 TYR 135 0.840 16.427 27.665 152.049 -99.200 -91.000 PHE 136 1.000 13.010 27.584 154.992 -99.200 -91.000 TRP 143 1.040 16.402 12.162 158.177 -99.200 -91.000 TRP6 143 1.020 18.555 11.404 158.737 -99.200 -91.000 HIS 147 0.900 20.249 7.909 161.262 -99.200 -91.000 PHE 162 1.000 18.678 23.721 166.065 -99.200 -91.000 TRP 168 1.040 29.943 23.242 165.163 -99.200 -91.000 TRP6 168 1.020 30.207 21.535 166.785 -99.200 -91.000 TRP 171 1.040 28.495 24.356 173.245 -99.200 -91.000 TRP6 171 1.020 29.843 22.443 173.030 -99.200 -91.000 HIS 179 0.900 22.854 25.620 172.875 -99.200 -91.000 TYR 183 0.840 15.942 38.457 168.798 -99.200 -91.000 PHE 192 1.000 12.926 33.306 167.422 -99.200 -91.000 HIS 195 0.900 4.539 37.811 163.290 -99.200 -91.000 TRP 199 1.040 13.808 28.673 171.079 -99.200 -91.000 TRP6 199 1.020 14.853 28.537 168.989 -99.200 -91.000 TYR 224 0.840 26.102 37.515 170.625 -99.200 -91.000 PHE 251 1.000 23.776 46.112 160.370 -99.200 -91.000 TYR 265 0.840 23.254 39.457 140.755 -99.200 -91.000 PHE 270 1.000 20.985 32.573 148.922 -99.200 -91.000 TYR 300 0.840 9.920 41.440 162.111 -99.200 -91.000 PHE 307 1.000 16.981 27.699 146.574 -99.200 -91.000 TRP 315 1.040 24.391 22.465 132.263 -99.200 -91.000 TRP6 315 1.020 23.233 23.614 130.574 -99.200 -91.000 TYR 327 0.840 36.766 37.893 132.714 -99.200 -91.000 TYR 331 0.840 35.262 37.400 123.164 -99.200 -91.000 PHE 332 1.000 33.132 32.898 123.427 -99.200 -91.000 TYR 343 0.840 12.402 34.328 126.610 -99.200 -91.000 PHE 348 1.000 20.709 23.711 135.007 -99.200 -91.000 TYR 355 0.840 8.244 30.833 139.457 -99.200 -91.000 TRP 356 1.040 8.963 29.043 147.536 -99.200 -91.000 TRP6 356 1.020 10.960 28.501 148.640 -99.200 -91.000 TYR 359 0.840 7.883 17.122 142.696 -99.200 -91.000 PHE 365 1.000 10.731 26.404 127.427 -99.200 -91.000 HIS 375 0.900 21.640 33.673 118.216 -99.200 -91.000 TYR 386 0.840 14.388 37.531 130.838 -99.200 -91.000 HIS 404 0.900 12.978 55.582 145.857 -99.200 -91.000 PHE 417 1.000 24.401 40.709 128.347 -99.200 -91.000 PHE 421 1.000