============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 5 1.000 36.410 2.738 41.364 -99.200 -91.000 PHE 20 1.000 26.270 -0.537 35.479 -99.200 -91.000 TYR 43 0.840 33.118 1.629 20.827 -99.200 -91.000 TYR 44 0.840 29.896 -2.131 21.514 -99.200 -91.000 TYR 67 0.840 19.947 9.056 14.323 -99.200 -91.000 HIS 74 0.900 16.164 -5.740 10.929 -99.200 -91.000 TRP 82 1.040 24.058 -6.825 17.019 -99.200 -91.000 TRP6 82 1.020 25.303 -5.173 18.208 -99.200 -91.000 HIS 90 0.900 29.161 -12.621 27.093 -99.200 -91.000 TRP 101 1.040 17.269 2.712 17.584 -99.200 -91.000 TRP6 101 1.020 18.333 4.828 17.579 -99.200 -91.000 HIS 102 0.900 9.809 2.200 14.977 -99.200 -91.000 HIS 108 0.900 15.435 11.837 4.118 -99.200 -91.000 PHE 162 1.000 10.206 -1.783 20.978 -99.200 -91.000 PHE 174 1.000 23.556 -7.966 22.423 -99.200 -91.000 HIS 180 0.900 16.519 5.350 23.329 -99.200 -91.000 HIS 183 0.900 18.214 10.145 25.359 -99.200 -91.000 TYR 185 0.840 15.862 8.545 19.180 -99.200 -91.000 HIS 188 0.900 10.511 11.244 25.619 -99.200 -91.000 PHE 190 1.000 2.457 5.636 20.087 -99.200 -91.000 TYR 202 0.840 -2.434 1.834 22.080 -99.200 -91.000 TRP 224 1.040 15.872 -13.981 28.353 -99.200 -91.000 TRP6 224 1.020 17.665 -12.643 27.518 -99.200 -91.000 PHE 239 1.000 15.766 14.445 28.252 -99.200 -91.000 TYR 254 0.840 0.379 5.543 35.168 -99.200 -91.000 TYR 266 0.840 19.273 -1.563 32.974 -99.200 -91.000 HIS 268 0.900 20.896 4.222 31.451 -99.200 -91.000 TYR 280 0.840 16.266 13.522 37.272 -99.200 -91.000 PHE 284 1.000 11.769 12.933 39.744 -99.200 -91.000 PHE 292 1.000 12.949 -0.075 38.900 -99.200 -91.000 HIS 293 0.900 9.801 -1.462 45.039 -99.200 -91.000 TYR 302 0.840 25.194 11.028 37.411 -99.200 -91.000 PHE 321 1.000 30.999 7.993 34.803 -99.200 -91.000 TYR 325 0.840 33.299 3.074 29.932 -99.200 -91.000 PHE 349 1.000 32.177 12.529 20.688 -99.200 -91.000 TYR 350 0.840 27.038 11.401 16.340 -99.200 -91.000 TYR 357 0.840 34.075 2.446 16.870 -99.200 -91.000 TYR 360 0.840 39.162 8.657 21.786 -99.200 -91.000