============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 13 1.000 24.180 40.913 60.353 -99.200 -91.000 TRP 19 1.040 19.518 30.005 70.673 -99.200 -91.000 TRP6 19 1.020 18.713 30.827 72.721 -99.200 -91.000 TYR 23 0.840 23.379 43.742 65.178 -99.200 -91.000 TYR 28 0.840 19.321 47.550 59.164 -99.200 -91.000 PHE 30 1.000 16.263 54.331 59.641 -99.200 -91.000 PHE 35 1.000 17.738 63.470 58.967 -99.200 -91.000 PHE 36 1.000 15.851 71.479 66.448 -99.200 -91.000 TYR 40 0.840 28.081 73.554 68.231 -99.200 -91.000 PHE 63 1.000 23.749 68.482 70.058 -99.200 -91.000 PHE 65 1.000 18.117 67.018 70.407 -99.200 -91.000 PHE 73 1.000 18.864 48.859 63.177 -99.200 -91.000 TYR 76 0.840 16.049 54.132 66.314 -99.200 -91.000 TYR 87 0.840 39.318 59.589 53.807 -99.200 -91.000 PHE 94 1.000 35.160 61.135 62.043 -99.200 -91.000 PHE 98 1.000 25.446 61.037 73.465 -99.200 -91.000 HIS 102 0.900 21.940 46.869 73.145 -99.200 -91.000 TRP 112 1.040 26.260 50.949 58.494 -99.200 -91.000 TRP6 112 1.020 24.448 50.139 59.769 -99.200 -91.000 PHE 114 1.000 25.975 55.268 61.931 -99.200 -91.000 PHE 123 1.000 9.469 68.226 74.028 -99.200 -91.000 TYR 135 0.840 25.291 59.414 79.419 -99.200 -91.000 TYR 146 0.840 5.748 73.189 63.810 -99.200 -91.000 HIS 148 0.900 9.239 81.101 63.459 -99.200 -91.000 PHE 165 1.000 33.889 60.117 54.334 -99.200 -91.000 TYR 186 0.840 28.619 57.172 49.097 -99.200 -91.000 TRP 196 1.040 8.800 73.518 56.880 -99.200 -91.000 TRP6 196 1.020 8.670 71.179 57.172 -99.200 -91.000 HIS 205 0.900 23.419 72.718 80.970 -99.200 -91.000 HIS 207 0.900 27.468 62.330 82.409 -99.200 -91.000 TYR 216 0.840 35.008 76.818 72.656 -99.200 -91.000 HIS 225 0.900 11.015 70.192 61.840 -99.200 -91.000 PHE 226 1.000 16.966 67.658 57.061 -99.200 -91.000 TYR 234 0.840 24.317 45.141 55.278 -99.200 -91.000 TYR 241 0.840 42.792 54.654 59.925 -99.200 -91.000