============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. HIS 2 0.900 26.120 36.024 -26.818 -99.200 -91.000 TYR 18 0.840 -4.593 55.418 -16.277 -99.200 -91.000 PHE 29 1.000 8.567 40.449 -13.095 -99.200 -91.000 TYR 35 0.840 14.936 51.309 -6.633 -99.200 -91.000 PHE 36 1.000 8.043 56.113 -9.774 -99.200 -91.000 TYR 41 0.840 4.948 58.661 -6.578 -99.200 -91.000 PHE 44 1.000 4.429 60.412 -16.488 -99.200 -91.000 PHE 70 1.000 30.844 50.364 -9.476 -99.200 -91.000 PHE 78 1.000 25.561 44.047 -3.386 -99.200 -91.000 TYR 101 0.840 26.564 48.351 -12.746 -99.200 -91.000 PHE 103 1.000 26.080 43.264 -14.182 -99.200 -91.000 PHE 109 1.000 15.763 47.994 -15.541 -99.200 -91.000 PHE 121 1.000 14.678 52.722 -24.972 -99.200 -91.000 PHE 159 1.000 16.434 64.429 -21.826 -99.200 -91.000 TYR 161 0.840 16.527 68.387 -31.982 -99.200 -91.000 TYR 175 0.840 31.757 51.289 -44.817 -99.200 -91.000 TRP 177 1.040 30.707 43.779 -36.152 -99.200 -91.000 TRP6 177 1.020 28.535 43.024 -35.638 -99.200 -91.000 PHE 179 1.000 38.752 48.865 -41.864 -99.200 -91.000 HIS 184 0.900 41.077 37.838 -42.118 -99.200 -91.000 PHE 191 1.000 17.337 38.024 -36.105 -99.200 -91.000 PHE 202 1.000 14.503 58.233 -37.160 -99.200 -91.000 PHE 207 1.000 11.069 64.915 -39.714 -99.200 -91.000 PHE 215 1.000 11.224 61.925 -35.842 -99.200 -91.000 HIS 242 0.900 27.724 54.633 -30.112 -99.200 -91.000 HIS 246 0.900 31.476 55.172 -25.256 -99.200 -91.000 PHE 251 1.000 39.038 65.079 -24.500 -99.200 -91.000 HIS 258 0.900 25.840 57.440 -26.052 -99.200 -91.000 TYR 267 0.840 28.445 65.889 -41.484 -99.200 -91.000 HIS 272 0.900 32.787 54.504 -41.656 -99.200 -91.000 HIS 274 0.900 28.205 52.742 -46.291 -99.200 -91.000 PHE 288 1.000 22.275 65.649 -33.954 -99.200 -91.000 PHE 289 1.000 24.155 68.074 -39.388 -99.200 -91.000 TYR 291 0.840 19.612 70.791 -28.974 -99.200 -91.000 PHE 301 1.000 32.924 66.357 -31.663 -99.200 -91.000 HIS 309 0.900 44.437 54.785 -30.677 -99.200 -91.000 TYR 316 0.840 42.513 47.415 -38.055 -99.200 -91.000 TYR 318 0.840 37.075 53.009 -42.720 -99.200 -91.000 HIS 320 0.900 40.546 50.557 -33.164 -99.200 -91.000