============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. TRP 10 1.040 -27.700 -6.386 -1.589 -99.200 -91.000 TRP6 10 1.020 -28.792 -8.381 -0.998 -99.200 -91.000 PHE 41 1.000 -26.908 -11.980 7.156 -99.200 -91.000 HIS 44 0.900 -40.782 -10.453 10.896 -99.200 -91.000 TYR 47 0.840 -45.891 -5.300 3.619 -99.200 -91.000 PHE 67 1.000 -39.604 -3.279 6.296 -99.200 -91.000 TRP 77 1.040 -34.027 -0.806 3.762 -99.200 -91.000 TRP6 77 1.020 -34.454 -0.426 6.055 -99.200 -91.000 PHE 85 1.000 -22.118 -9.640 19.481 -99.200 -91.000 TRP 86 1.040 -22.349 -14.068 10.023 -99.200 -91.000 TRP6 86 1.020 -20.486 -15.370 10.653 -99.200 -91.000 PHE 88 1.000 -25.560 -8.715 2.833 -99.200 -91.000 PHE 97 1.000 -25.001 -13.207 -0.229 -99.200 -91.000 HIS 107 0.900 -51.454 -8.402 9.532 -99.200 -91.000 HIS 120 0.900 -37.650 -13.225 -7.706 -99.200 -91.000 HIS 123 0.900 -26.715 -12.327 -10.629 -99.200 -91.000 PHE 124 1.000 -23.687 -9.062 -3.612 -99.200 -91.000 TRP 130 1.040 -12.562 -10.683 -18.193 -99.200 -91.000 TRP6 130 1.020 -10.382 -9.735 -17.960 -99.200 -91.000 PHE 144 1.000 -14.182 -6.960 -9.882 -99.200 -91.000 PHE 152 1.000 -14.343 0.122 -20.455 -99.200 -91.000 PHE 159 1.000 -13.856 -2.771 1.217 -99.200 -91.000 TYR 168 0.840 -18.317 -5.575 -0.021 -99.200 -91.000 HIS 176 0.900 -23.667 2.332 -11.501 -99.200 -91.000 PHE 178 1.000 -16.912 5.625 -12.908 -99.200 -91.000 TYR 185 0.840 -4.637 -1.887 3.124 -99.200 -91.000 TYR 186 0.840 -4.077 -5.778 7.284 -99.200 -91.000 PHE 188 1.000 -5.535 -11.624 -1.443 -99.200 -91.000 TYR 202 0.840 0.858 -3.030 -2.280 -99.200 -91.000 PHE 203 1.000 -1.257 1.348 -0.285 -99.200 -91.000 TYR 209 0.840 -2.376 -3.936 -13.232 -99.200 -91.000 HIS 213 0.900 -5.646 -3.346 -18.289 -99.200 -91.000 PHE 239 1.000 3.430 12.621 1.119 -99.200 -91.000 TYR 262 0.840 6.110 8.665 -2.391 -99.200 -91.000 HIS 264 0.900 12.295 12.981 -0.125 -99.200 -91.000 TYR 272 0.840 -3.977 2.560 19.873 -99.200 -91.000 PHE 281 1.000 -26.648 2.444 30.999 -99.200 -91.000 TYR 298 0.840 -5.103 25.052 10.074 -99.200 -91.000 HIS 322 0.900 -20.947 5.624 18.864 -99.200 -91.000 TRP 324 1.040 -12.382 7.440 12.242 -99.200 -91.000 TRP6 324 1.020 -10.449 6.333 11.489 -99.200 -91.000 TYR 329 0.840 -10.332 12.407 13.267 -99.200 -91.000 HIS 340 0.900 -0.960 24.699 4.163 -99.200 -91.000 TYR 350 0.840 -25.020 10.680 3.272 -99.200 -91.000 HIS 355 0.900 -15.382 3.756 10.525 -99.200 -91.000 TYR 356 0.840 -16.984 -1.098 9.290 -99.200 -91.000 TYR 361 0.840 -31.446 -0.543 -1.933 -99.200 -91.000 PHE 362 1.000 -23.266 -4.823 0.585 -99.200 -91.000 HIS 370 0.900 -11.089 -2.716 16.556 -99.200 -91.000 HIS 376 0.900 -18.351 -9.588 20.251 -99.200 -91.000 TRP 379 1.040 -18.716 -2.069 14.043 -99.200 -91.000 TRP6 379 1.020 -16.444 -1.538 14.244 -99.200 -91.000 HIS 386 0.900 -25.166 2.700 8.013 -99.200 -91.000 TRP 394 1.040 -23.829 2.914 -5.946 -99.200 -91.000 TRP6 394 1.020 -21.910 1.659 -5.367 -99.200 -91.000 PHE 400 1.000 -15.378 13.686 -6.196 -99.200 -91.000 PHE 401 1.000 -14.484 8.243 -7.826 -99.200 -91.000 HIS 404 0.900 -14.720 16.315 -9.817 -99.200 -91.000