============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. HIS 3 0.900 -119.994 -60.129 83.656 -99.200 -91.000 PHE 12 1.000 -131.547 -47.514 81.296 -99.200 -91.000 PHE 14 1.000 -133.656 -38.196 78.885 -99.200 -91.000 TYR 30 0.840 -137.325 -17.137 76.169 -99.200 -91.000 PHE 36 1.000 -136.400 -24.358 89.850 -99.200 -91.000 HIS 82 0.900 -129.546 -31.654 97.846 -99.200 -91.000 PHE 110 1.000 -147.857 -30.894 76.748 -99.200 -91.000 PHE 126 1.000 -148.874 -34.966 78.195 -99.200 -91.000 PHE 130 1.000 -137.405 -34.726 86.159 -99.200 -91.000 TYR 131 0.840 -139.043 -34.618 81.194 -99.200 -91.000 PHE 134 1.000 -132.553 -31.876 82.380 -99.200 -91.000 HIS 146 0.900 -142.914 -48.553 95.201 -99.200 -91.000 HIS 152 0.900 -132.504 -49.136 92.207 -99.200 -91.000 TRP 154 1.040 -133.412 -40.719 85.520 -99.200 -91.000 TRP6 154 1.020 -133.249 -38.392 85.096 -99.200 -91.000 PHE 161 1.000 -132.926 -42.459 81.175 -99.200 -91.000 TYR 189 0.840 -133.980 -19.798 90.474 -99.200 -91.000 TYR 202 0.840 -144.043 -20.927 92.223 -99.200 -91.000 PHE 205 1.000 -154.316 -21.701 96.493 -99.200 -91.000 PHE 208 1.000 -149.834 -34.339 101.183 -99.200 -91.000 TYR 211 0.840 -141.792 -28.805 107.793 -99.200 -91.000 TRP 213 1.040 -130.738 -26.942 106.979 -99.200 -91.000 TRP6 213 1.020 -131.441 -28.179 108.867 -99.200 -91.000 TRP 220 1.040 -127.705 -23.021 109.321 -99.200 -91.000 TRP6 220 1.020 -128.271 -22.505 107.083 -99.200 -91.000 TRP 222 1.040 -135.920 -30.042 108.484 -99.200 -91.000 TRP6 222 1.020 -135.305 -29.834 106.208 -99.200 -91.000