============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 14 1.000 -34.512 44.708 7.952 -99.200 -91.000 TYR 18 0.840 -38.083 38.542 9.549 -99.200 -91.000 PHE 20 1.000 -38.208 37.921 -1.700 -99.200 -91.000 HIS 24 0.900 -39.875 33.153 -1.940 -99.200 -91.000 HIS 25 0.900 -38.292 28.129 3.833 -99.200 -91.000 HIS 38 0.900 -29.374 36.897 -3.745 -99.200 -91.000 PHE 47 1.000 -35.626 48.102 -12.170 -99.200 -91.000 TYR 55 0.840 -23.874 51.091 -6.256 -99.200 -91.000 PHE 56 1.000 -19.125 52.615 -3.835 -99.200 -91.000 TRP 64 1.040 -27.690 37.348 -8.459 -99.200 -91.000 TRP6 64 1.020 -28.218 38.251 -10.577 -99.200 -91.000 TYR 68 0.840 -38.515 47.516 -1.061 -99.200 -91.000 PHE 69 1.000 -39.653 49.768 -7.476 -99.200 -91.000 TRP 70 1.040 -35.926 39.647 -6.782 -99.200 -91.000 TRP6 70 1.020 -34.574 38.742 -5.076 -99.200 -91.000 HIS 84 0.900 -29.930 36.388 -14.833 -99.200 -91.000 PHE 86 1.000 -37.894 42.512 -10.649 -99.200 -91.000 HIS 98 0.900 -22.879 52.443 -13.435 -99.200 -91.000 PHE 113 1.000 -9.277 48.414 -8.273 -99.200 -91.000 TYR 121 0.840 -0.125 58.362 3.887 -99.200 -91.000 PHE 124 1.000 -9.076 56.622 3.198 -99.200 -91.000 TRP 134 1.040 -13.608 42.277 2.253 -99.200 -91.000 TRP6 134 1.020 -15.915 42.156 2.765 -99.200 -91.000 PHE 150 1.000 2.821 51.514 -2.465 -99.200 -91.000 HIS 157 0.900 1.841 47.893 -13.327 -99.200 -91.000 TRP 167 1.040 -5.429 63.624 4.479 -99.200 -91.000 TRP6 167 1.020 -3.250 63.435 5.374 -99.200 -91.000 PHE 173 1.000 -4.443 66.997 0.737 -99.200 -91.000 HIS 174 0.900 -1.735 70.019 -1.301 -99.200 -91.000 TRP 189 1.040 -8.586 54.735 -9.984 -99.200 -91.000 TRP6 189 1.020 -7.608 52.940 -8.804 -99.200 -91.000 TYR 197 0.840 -15.802 44.636 -11.676 -99.200 -91.000 TYR 205 0.840 -10.821 59.194 -10.861 -99.200 -91.000