============================================================================= 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. TYR 4 0.840 5.000 -1.180 8.641 -99.200 -91.000 TYR 14 0.840 -5.687 -11.005 16.519 -99.200 -91.000 HIS 21 0.900 -31.231 -12.530 22.971 -99.200 -91.000 TYR 22 0.840 -25.367 -17.364 26.100 -99.200 -91.000 PHE 23 1.000 -33.473 -17.053 22.361 -99.200 -91.000 TYR 35 0.840 -17.753 -12.068 22.272 -99.200 -91.000 TYR 53 0.840 7.620 -15.079 19.735 -99.200 -91.000 TRP 56 1.040 -3.230 -6.145 24.399 -99.200 -91.000 TRP6 56 1.020 -4.532 -4.564 23.226 -99.200 -91.000 TYR 58 0.840 -8.746 -4.217 26.259 -99.200 -91.000 TRP 73 1.040 -11.980 -10.092 30.107 -99.200 -91.000 TRP6 73 1.020 -14.281 -9.609 30.471 -99.200 -91.000 PHE 78 1.000 2.284 -14.450 23.619 -99.200 -91.000 PHE 83 1.000 16.118 -18.904 21.216 -99.200 -91.000 PHE 89 1.000 12.053 -17.568 27.789 -99.200 -91.000 TYR 91 0.840 7.417 -13.274 32.334 -99.200 -91.000 TYR 95 0.840 -4.818 -19.976 25.708 -99.200 -91.000 TYR 99 0.840 -6.698 -24.166 25.312 -99.200 -91.000 TRP 104 1.040 -5.127 -32.807 20.657 -99.200 -91.000 TRP6 104 1.020 -3.824 -31.033 19.814 -99.200 -91.000 PHE 111 1.000 -23.936 -22.941 25.231 -99.200 -91.000 TYR 116 0.840 -10.254 -26.339 30.180 -99.200 -91.000 PHE 121 1.000 -3.569 -24.106 41.384 -99.200 -91.000 TYR 132 0.840 13.069 -24.797 24.928 -99.200 -91.000 PHE 137 1.000 14.078 -35.122 20.620 -99.200 -91.000 PHE 138 1.000 16.754 -30.344 20.387 -99.200 -91.000 PHE 146 1.000 11.010 -30.860 24.376 -99.200 -91.000 TYR 150 0.840 8.928 -21.295 38.377 -99.200 -91.000 PHE 176 1.000 7.591 -29.394 37.089 -99.200 -91.000 TYR 182 0.840 5.164 -39.495 16.876 -99.200 -91.000 PHE 185 1.000 1.417 -42.958 7.838 -99.200 -91.000 PHE 192 1.000 1.697 -37.298 30.710 -99.200 -91.000 TYR 194 0.840 3.181 -33.951 36.594 -99.200 -91.000 HIS 213 0.900 3.445 -29.945 46.623 -99.200 -91.000 TYR 217 0.840 -0.634 -37.209 37.599 -99.200 -91.000 TYR 223 0.840 -9.430 -39.667 11.328 -99.200 -91.000 TYR 229 0.840 -11.420 -32.018 15.439 -99.200 -91.000 TYR 234 0.840 -9.590 -39.828 32.538 -99.200 -91.000 TYR 238 0.840 -4.663 -36.992 42.270 -99.200 -91.000 PHE 248 1.000 -8.973 -24.623 44.514 -99.200 -91.000 PHE 255 1.000 -14.789 -39.254 28.042 -99.200 -91.000 TYR 261 0.840 -18.968 -34.988 6.537 -99.200 -91.000 PHE 263 1.000 -23.062 -32.023 5.342 -99.200 -91.000 PHE 265 1.000 -24.104 -27.968 2.076 -99.200 -91.000 TYR 273 0.840 -21.347 -37.267 28.299 -99.200 -91.000 TYR 284 0.840 -21.797 -30.422 50.420 -99.200 -91.000 TYR 292 0.840 -22.188 -28.914 28.794 -99.200 -91.000 TYR 299 0.840 -24.050 -21.465 5.342 -99.200 -91.000 TYR 300 0.840 -17.262 -21.969 9.277 -99.200 -91.000 PHE 301 1.000 -23.712 -16.309 5.737 -99.200 -91.000 TYR 308 0.840 -22.396 -18.495 16.975 -99.200 -91.000 TYR 311 0.840 -31.287 -27.775 23.237 -99.200 -91.000 PHE 321 1.000 -21.276 -30.043 45.117 -99.200 -91.000 TYR 339 0.840 -16.328 -8.036 9.402 -99.200 -91.000 PHE 341 1.000 -10.985 -6.697 12.685 -99.200 -91.000