============================================================================= 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. HIS 10 0.900 15.478 -13.777 33.605 -99.200 -91.000 TYR 31 0.840 30.458 -14.735 38.244 -99.200 -91.000 TYR 36 0.840 27.117 -18.359 33.227 -99.200 -91.000 TYR 37 0.840 25.305 -17.080 25.402 -99.200 -91.000 PHE 38 1.000 20.577 -14.637 31.697 -99.200 -91.000 TRP 40 1.040 13.875 -11.145 28.953 -99.200 -91.000 TRP6 40 1.020 16.204 -10.883 29.059 -99.200 -91.000 TYR 42 0.840 7.159 -12.350 20.016 -99.200 -91.000 PHE 57 1.000 19.155 -8.769 18.847 -99.200 -91.000 PHE 66 1.000 33.198 -6.808 16.077 -99.200 -91.000 TYR 89 0.840 48.737 4.599 5.155 -99.200 -91.000 TRP 90 1.040 42.102 9.105 -0.717 -99.200 -91.000 TRP6 90 1.020 40.043 9.622 0.320 -99.200 -91.000 TRP 98 1.040 42.159 16.588 4.466 -99.200 -91.000 TRP6 98 1.020 41.362 14.928 5.936 -99.200 -91.000 HIS 105 0.900 45.825 14.116 14.797 -99.200 -91.000 TYR 109 0.840 35.532 8.757 17.613 -99.200 -91.000 PHE 131 1.000 32.222 14.214 4.189 -99.200 -91.000 TYR 132 0.840 36.390 11.945 4.481 -99.200 -91.000 TRP 135 1.040 35.979 18.660 7.931 -99.200 -91.000 TRP6 135 1.020 38.180 18.208 8.612 -99.200 -91.000 TRP 139 1.040 37.271 22.945 17.245 -99.200 -91.000 TRP6 139 1.020 36.026 20.957 17.350 -99.200 -91.000 TYR 147 0.840 30.661 8.502 18.345 -99.200 -91.000 PHE 155 1.000 42.268 3.544 12.183 -99.200 -91.000 PHE 167 1.000 36.255 -2.171 7.496 -99.200 -91.000 PHE 176 1.000 33.498 -9.950 11.377 -99.200 -91.000 HIS 183 0.900 26.597 -18.708 13.063 -99.200 -91.000 TRP 185 1.040 26.427 -12.976 9.266 -99.200 -91.000 TRP6 185 1.020 27.630 -14.569 8.070 -99.200 -91.000 TYR 196 0.840 19.299 -8.091 9.411 -99.200 -91.000 TRP 198 1.040 12.042 -7.671 9.862 -99.200 -91.000 TRP6 198 1.020 12.525 -6.271 8.020 -99.200 -91.000 TYR 200 0.840 9.874 -4.336 15.135 -99.200 -91.000 HIS 207 0.900 16.381 -5.757 8.393 -99.200 -91.000 TYR 218 0.840 26.414 3.438 9.463 -99.200 -91.000 TRP 230 1.040 33.971 -7.563 19.899 -99.200 -91.000 TRP6 230 1.020 35.992 -7.651 18.703 -99.200 -91.000 TYR 256 0.840 45.771 5.037 21.244 -99.200 -91.000 TRP 257 1.040 43.519 11.487 21.537 -99.200 -91.000 TRP6 257 1.020 44.901 13.353 21.144 -99.200 -91.000 TYR 263 0.840 41.820 7.842 31.162 -99.200 -91.000 TRP 268 1.040 37.170 -2.147 22.599 -99.200 -91.000 TRP6 268 1.020 35.027 -2.905 23.192 -99.200 -91.000 TRP 273 1.040 35.224 -1.328 38.783 -99.200 -91.000 TRP6 273 1.020 32.937 -0.989 38.361 -99.200 -91.000 TRP 309 1.040 31.937 0.837 32.189 -99.200 -91.000 TRP6 309 1.020 30.490 -0.567 33.355 -99.200 -91.000 HIS 311 0.900 31.355 3.008 28.205 -99.200 -91.000 PHE 319 1.000 18.196 -4.159 14.892 -99.200 -91.000 TYR 322 0.840 26.856 -0.068 27.651 -99.200 -91.000 PHE 325 1.000 36.044 -5.220 27.525 -99.200 -91.000 TYR 341 0.840 17.582 0.255 25.375 -99.200 -91.000 TRP 351 1.040 27.909 0.832 37.957 -99.200 -91.000 TRP6 351 1.020 26.896 0.729 40.031 -99.200 -91.000