============================================================================= 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 15.503 -14.345 33.547 -99.200 -91.000 TYR 31 0.840 30.227 -14.809 38.066 -99.200 -91.000 TYR 36 0.840 27.062 -18.482 32.997 -99.200 -91.000 TYR 37 0.840 25.271 -17.311 25.117 -99.200 -91.000 PHE 38 1.000 20.476 -14.970 31.436 -99.200 -91.000 TRP 40 1.040 13.631 -11.612 28.680 -99.200 -91.000 TRP6 40 1.020 15.955 -11.317 28.826 -99.200 -91.000 TYR 42 0.840 6.818 -12.844 19.764 -99.200 -91.000 PHE 57 1.000 18.847 -9.039 18.668 -99.200 -91.000 PHE 66 1.000 32.757 -6.709 15.915 -99.200 -91.000 TYR 89 0.840 47.936 5.111 4.850 -99.200 -91.000 TRP 90 1.040 40.952 9.634 -0.873 -99.200 -91.000 TRP6 90 1.020 38.919 10.137 0.191 -99.200 -91.000 TRP 98 1.040 41.099 16.964 4.302 -99.200 -91.000 TRP6 98 1.020 40.270 15.305 5.773 -99.200 -91.000 HIS 105 0.900 44.685 14.602 14.589 -99.200 -91.000 TYR 109 0.840 34.538 8.988 17.481 -99.200 -91.000 PHE 131 1.000 31.238 14.566 3.943 -99.200 -91.000 TYR 132 0.840 35.336 12.229 4.273 -99.200 -91.000 TRP 135 1.040 34.883 18.914 7.743 -99.200 -91.000 TRP6 135 1.020 37.075 18.466 8.445 -99.200 -91.000 TRP 139 1.040 35.954 23.076 16.993 -99.200 -91.000 TRP6 139 1.020 34.685 21.090 17.055 -99.200 -91.000 TYR 147 0.840 29.738 8.435 18.150 -99.200 -91.000 PHE 155 1.000 41.431 3.992 12.021 -99.200 -91.000 PHE 167 1.000 35.630 -1.870 7.399 -99.200 -91.000 PHE 176 1.000 33.194 -9.752 11.268 -99.200 -91.000 HIS 183 0.900 26.553 -18.695 13.022 -99.200 -91.000 TRP 185 1.040 26.416 -12.966 9.055 -99.200 -91.000 TRP6 185 1.020 27.768 -14.489 7.874 -99.200 -91.000 TYR 196 0.840 18.953 -8.195 9.178 -99.200 -91.000 TRP 198 1.040 11.608 -7.963 9.623 -99.200 -91.000 TRP6 198 1.020 12.122 -6.538 7.819 -99.200 -91.000 TYR 200 0.840 9.409 -4.835 14.992 -99.200 -91.000 HIS 207 0.900 15.898 -5.989 8.262 -99.200 -91.000 TYR 218 0.840 25.653 3.533 9.381 -99.200 -91.000 TRP 230 1.040 33.602 -7.417 19.798 -99.200 -91.000 TRP6 230 1.020 35.623 -7.424 18.593 -99.200 -91.000 TYR 256 0.840 44.963 5.576 21.070 -99.200 -91.000 TRP 257 1.040 42.309 11.851 21.343 -99.200 -91.000 TRP6 257 1.020 43.627 13.761 20.952 -99.200 -91.000 TYR 263 0.840 40.804 8.094 30.930 -99.200 -91.000 TRP 268 1.040 36.597 -1.903 22.399 -99.200 -91.000 TRP6 268 1.020 34.473 -2.757 23.001 -99.200 -91.000 TRP 273 1.040 35.610 -1.837 38.354 -99.200 -91.000 TRP6 273 1.020 33.268 -1.577 38.192 -99.200 -91.000 TRP 309 1.040 31.517 0.789 32.054 -99.200 -91.000 TRP6 309 1.020 30.059 -0.607 33.280 -99.200 -91.000 HIS 311 0.900 30.686 2.980 28.135 -99.200 -91.000 PHE 319 1.000 17.701 -4.382 14.753 -99.200 -91.000 TYR 322 0.840 26.278 -0.165 27.561 -99.200 -91.000 PHE 325 1.000 35.556 -5.107 27.238 -99.200 -91.000 TYR 341 0.840 16.859 -0.136 25.252 -99.200 -91.000 TRP 351 1.040 27.317 0.683 37.779 -99.200 -91.000 TRP6 351 1.020 26.287 0.461 39.889 -99.200 -91.000