============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 10 0.840 72.219 35.862 26.236 -99.200 -91.000 PHE 12 1.000 67.072 37.832 16.638 -99.200 -91.000 TRP 14 1.040 68.486 44.215 18.171 -99.200 -91.000 TRP6 14 1.020 70.336 43.413 16.935 -99.200 -91.000 HIS 25 0.900 57.579 41.070 27.316 -99.200 -91.000 PHE 26 1.000 54.569 47.251 30.074 -99.200 -91.000 TRP 36 1.040 68.656 58.249 25.290 -99.200 -91.000 TRP6 36 1.020 66.606 59.297 25.831 -99.200 -91.000 HIS 42 0.900 50.944 49.939 21.318 -99.200 -91.000 HIS 59 0.900 67.539 32.288 24.996 -99.200 -91.000 HIS 71 0.900 70.269 48.820 32.882 -99.200 -91.000 PHE 77 1.000 62.002 62.364 27.305 -99.200 -91.000 TYR 82 0.840 49.709 56.881 20.786 -99.200 -91.000 PHE 102 1.000 75.344 49.154 24.832 -99.200 -91.000 TYR 118 0.840 64.831 50.049 5.173 -99.200 -91.000 TYR 120 0.840 57.472 44.301 -3.240 -99.200 -91.000 TRP 128 1.040 60.994 36.941 25.755 -99.200 -91.000 TRP6 128 1.020 62.386 38.843 25.550 -99.200 -91.000 TYR 144 0.840 64.674 34.503 14.140 -99.200 -91.000 PHE 154 1.000 49.588 43.068 0.066 -99.200 -91.000 TYR 159 0.840 45.350 46.175 8.465 -99.200 -91.000 TYR 165 0.840 46.667 57.655 8.933 -99.200 -91.000 PHE 200 1.000 70.311 41.165 12.516 -99.200 -91.000 TRP 208 1.040 48.267 49.858 13.752 -99.200 -91.000 TRP6 208 1.020 46.532 49.356 12.217 -99.200 -91.000 TYR 216 0.840 42.360 41.930 8.317 -99.200 -91.000 TYR 220 0.840 55.811 45.180 12.279 -99.200 -91.000 PHE 225 1.000 56.513 60.127 9.090 -99.200 -91.000 HIS 226 0.900 57.192 58.091 13.544 -99.200 -91.000 TRP 229 1.040 59.637 62.734 18.486 -99.200 -91.000 TRP6 229 1.020 59.768 60.827 19.881 -99.200 -91.000