============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 1 0.840 59.661 62.519 32.426 -99.200 -91.000 TYR 17 0.840 44.340 64.385 15.612 -99.200 -91.000 PHE 18 1.000 48.828 66.093 9.289 -99.200 -91.000 PHE 20 1.000 48.754 66.238 20.665 -99.200 -91.000 TYR 27 0.840 60.468 64.708 22.829 -99.200 -91.000 PHE 33 1.000 64.894 58.597 8.966 -99.200 -91.000 PHE 53 1.000 58.145 57.174 31.309 -99.200 -91.000 TYR 76 0.840 53.229 49.458 24.379 -99.200 -91.000 TYR 80 0.840 44.117 58.634 34.121 -99.200 -91.000 TYR 87 0.840 43.685 57.957 38.745 -99.200 -91.000 PHE 88 1.000 52.103 56.062 37.626 -99.200 -91.000 PHE 101 1.000 51.786 61.967 35.309 -99.200 -91.000 PHE 111 1.000 42.638 49.940 32.734 -99.200 -91.000 TYR 115 0.840 43.093 42.954 20.458 -99.200 -91.000 TYR 121 0.840 39.780 45.181 33.498 -99.200 -91.000 HIS 124 0.900 34.471 43.027 21.636 -99.200 -91.000 PHE 144 1.000 36.001 67.353 37.107 -99.200 -91.000 PHE 169 1.000 50.038 51.611 11.997 -99.200 -91.000 TRP 174 1.040 46.933 61.632 5.901 -99.200 -91.000 TRP6 174 1.020 46.709 62.542 3.753 -99.200 -91.000 TYR 179 0.840 35.078 60.313 10.187 -99.200 -91.000 PHE 186 1.000 37.180 58.009 13.502 -99.200 -91.000 TYR 191 0.840 44.166 49.886 6.197 -99.200 -91.000 TRP 199 1.040 53.654 50.366 15.374 -99.200 -91.000 TRP6 199 1.020 54.624 50.523 17.519 -99.200 -91.000 HIS 208 0.900 63.638 40.349 11.980 -99.200 -91.000 PHE 214 1.000 57.427 43.747 4.829 -99.200 -91.000 PHE 245 1.000 66.632 49.989 17.221 -99.200 -91.000