============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TRP 3 1.040 13.147 14.761 -50.874 -99.200 -91.000 TRP6 3 1.020 10.842 14.415 -50.484 -99.200 -91.000 PHE 16 1.000 1.029 5.776 -57.714 -99.200 -91.000 TRP 61 1.040 11.159 -0.428 -58.951 -99.200 -91.000 TRP6 61 1.020 12.412 -1.413 -57.211 -99.200 -91.000 TYR 70 0.840 30.579 2.869 -52.601 -99.200 -91.000 PHE 71 1.000 34.254 2.475 -56.686 -99.200 -91.000 TRP 92 1.040 17.399 4.334 -49.691 -99.200 -91.000 TRP6 92 1.020 15.898 3.319 -51.235 -99.200 -91.000 TRP 94 1.040 18.694 -3.276 -45.214 -99.200 -91.000 TRP6 94 1.020 19.196 -3.776 -42.945 -99.200 -91.000 TYR 100 0.840 7.337 3.730 -44.350 -99.200 -91.000 TRP 111 1.040 16.174 -1.226 -68.058 -99.200 -91.000 TRP6 111 1.020 16.922 -3.140 -69.238 -99.200 -91.000 PHE 113 1.000 19.768 -5.473 -64.763 -99.200 -91.000 PHE 117 1.000 17.389 -8.777 -57.661 -99.200 -91.000 PHE 134 1.000 12.453 -8.280 -61.789 -99.200 -91.000 TRP 141 1.040 28.692 -5.038 -63.383 -99.200 -91.000 TRP6 141 1.020 29.829 -4.382 -65.359 -99.200 -91.000 HIS 159 0.900 20.208 -23.779 -50.997 -99.200 -91.000 TYR 164 0.840 20.843 -20.680 -63.464 -99.200 -91.000 TYR 165 0.840 17.744 -16.799 -62.094 -99.200 -91.000 PHE 172 1.000 15.418 -12.947 -62.136 -99.200 -91.000 HIS 216 0.900 6.017 -3.355 -38.840 -99.200 -91.000 PHE 218 1.000 5.011 -13.975 -43.463 -99.200 -91.000 TRP 226 1.040 5.848 -23.514 -35.391 -99.200 -91.000 TRP6 226 1.020 3.601 -23.936 -36.026 -99.200 -91.000 TYR 232 0.840 6.922 -10.770 -33.003 -99.200 -91.000 TYR 234 0.840 -2.099 -15.405 -28.441 -99.200 -91.000