============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. TRP 13 1.040 21.058 -28.452 12.112 -99.200 -91.000 TRP6 13 1.020 19.016 -27.586 12.934 -99.200 -91.000 TRP 16 1.040 20.743 -22.379 22.493 -99.200 -91.000 TRP6 16 1.020 18.765 -21.180 22.994 -99.200 -91.000 PHE 19 1.000 18.911 -21.593 12.163 -99.200 -91.000 PHE 38 1.000 13.149 -27.342 14.522 -99.200 -91.000 TRP 50 1.040 24.409 -32.179 5.706 -99.200 -91.000 TRP6 50 1.020 26.498 -31.449 6.529 -99.200 -91.000 TYR 55 0.840 27.335 -35.038 10.709 -99.200 -91.000 TYR 57 0.840 19.836 -39.302 17.389 -99.200 -91.000 TRP 64 1.040 9.779 -27.550 22.371 -99.200 -91.000 TRP6 64 1.020 7.818 -28.851 22.620 -99.200 -91.000 PHE 81 1.000 7.518 -25.860 16.225 -99.200 -91.000 HIS 83 0.900 0.918 -28.951 8.439 -99.200 -91.000 PHE 87 1.000 3.307 -32.777 8.546 -99.200 -91.000 TYR 91 0.840 9.153 -33.537 5.698 -99.200 -91.000 HIS 93 0.900 10.322 -40.928 13.352 -99.200 -91.000 TYR 102 0.840 15.144 -26.961 26.042 -99.200 -91.000 PHE 108 1.000 8.218 -19.985 34.886 -99.200 -91.000 TYR 113 0.840 9.216 -20.122 24.932 -99.200 -91.000 PHE 128 1.000 8.828 -34.344 25.618 -99.200 -91.000 TRP 131 1.040 3.403 -35.366 20.779 -99.200 -91.000 TRP6 131 1.020 4.242 -33.384 21.757 -99.200 -91.000 PHE 142 1.000 13.793 -19.398 35.245 -99.200 -91.000 TYR 152 0.840 18.643 -33.238 34.860 -99.200 -91.000 PHE 168 1.000 17.256 -37.949 30.463 -99.200 -91.000 TRP 172 1.040 21.903 -32.893 38.382 -99.200 -91.000 TRP6 172 1.020 21.722 -35.105 39.211 -99.200 -91.000 TYR 175 0.840 21.689 -25.307 34.287 -99.200 -91.000 TYR 185 0.840 31.114 -36.094 35.656 -99.200 -91.000 TRP 195 1.040 28.115 -36.447 31.328 -99.200 -91.000 TRP6 195 1.020 27.943 -38.784 31.064 -99.200 -91.000 TYR 198 0.840 33.278 -24.966 31.410 -99.200 -91.000 TRP 205 1.040 40.617 -20.178 18.846 -99.200 -91.000 TRP6 205 1.020 40.224 -22.461 18.342 -99.200 -91.000 TRP 206 1.040 38.006 -16.337 25.827 -99.200 -91.000 TRP6 206 1.020 36.292 -16.903 27.360 -99.200 -91.000 TRP 214 1.040 35.605 -27.096 33.607 -99.200 -91.000 TRP6 214 1.020 34.334 -29.080 33.464 -99.200 -91.000 PHE 215 1.000 34.556 -31.415 28.309 -99.200 -91.000 HIS 218 0.900 38.280 -29.444 36.007 -99.200 -91.000 HIS 230 0.900 29.144 -44.870 29.673 -99.200 -91.000 TRP 231 1.040 28.485 -41.393 23.782 -99.200 -91.000 TRP6 231 1.020 30.458 -42.627 23.372 -99.200 -91.000 PHE 242 1.000 26.876 -15.933 11.176 -99.200 -91.000 TRP 256 1.040 33.209 -30.675 20.233 -99.200 -91.000 TRP6 256 1.020 34.621 -29.049 21.234 -99.200 -91.000 HIS 301 0.900 54.975 -33.703 25.044 -99.200 -91.000 TYR 310 0.840 44.075 -32.190 23.175 -99.200 -91.000 PHE 323 1.000 51.232 -34.685 15.914 -99.200 -91.000 PHE 324 1.000 44.536 -26.556 19.798 -99.200 -91.000 TYR 332 0.840 56.729 -24.550 16.961 -99.200 -91.000 TYR 334 0.840 55.336 -31.188 18.434 -99.200 -91.000 HIS 335 0.900 61.531 -29.928 14.032 -99.200 -91.000 PHE 343 1.000 51.508 -43.727 19.704 -99.200 -91.000 TYR 349 0.840 53.390 -47.594 15.988 -99.200 -91.000 TYR 355 0.840 40.817 -31.605 9.138 -99.200 -91.000 PHE 369 1.000 56.157 -37.337 14.384 -99.200 -91.000 TRP 381 1.040 50.055 -37.431 11.325 -99.200 -91.000 TRP6 381 1.020 52.214 -38.130 11.976 -99.200 -91.000 TYR 382 0.840 43.014 -44.812 11.265 -99.200 -91.000 TYR 384 0.840 47.499 -47.179 8.990 -99.200 -91.000