============================================================================= 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 63.245 0.908 36.482 -99.200 -91.000 TYR 16 0.840 42.562 -3.099 31.982 -99.200 -91.000 PHE 22 1.000 36.272 -6.541 20.978 -99.200 -91.000 PHE 35 1.000 41.338 -12.406 14.521 -99.200 -91.000 HIS 48 0.900 37.379 -5.970 28.081 -99.200 -91.000 TRP 54 1.040 49.771 -14.964 30.173 -99.200 -91.000 TRP6 54 1.020 51.225 -16.260 28.847 -99.200 -91.000 PHE 60 1.000 42.526 -14.390 19.775 -99.200 -91.000 TRP 68 1.040 44.558 -8.184 10.452 -99.200 -91.000 TRP6 68 1.020 43.332 -7.152 12.228 -99.200 -91.000 TYR 75 0.840 54.739 -4.028 16.354 -99.200 -91.000 TYR 87 0.840 59.609 -18.999 28.980 -99.200 -91.000 TYR 94 0.840 54.889 -8.488 18.448 -99.200 -91.000 PHE 118 1.000 63.991 0.038 31.717 -99.200 -91.000 TRP 123 1.040 60.863 -12.005 30.264 -99.200 -91.000 TRP6 123 1.020 60.617 -10.143 28.814 -99.200 -91.000 TYR 134 0.840 74.630 -1.927 27.741 -99.200 -91.000 PHE 138 1.000 68.946 4.558 23.771 -99.200 -91.000 PHE 145 1.000 61.088 7.371 11.919 -99.200 -91.000 PHE 165 1.000 63.010 8.572 34.809 -99.200 -91.000 TYR 167 0.840 68.335 1.206 28.809 -99.200 -91.000 TYR 192 0.840 67.849 9.701 20.789 -99.200 -91.000 TYR 198 0.840 64.138 13.459 21.377 -99.200 -91.000 TYR 206 0.840 59.956 16.321 34.429 -99.200 -91.000 TYR 212 0.840 73.259 16.721 32.459 -99.200 -91.000 PHE 225 1.000 72.835 23.070 33.667 -99.200 -91.000 TRP 231 1.040 71.637 18.548 26.081 -99.200 -91.000 TRP6 231 1.020 69.898 17.850 27.561 -99.200 -91.000 TYR 239 0.840 59.829 24.121 27.780 -99.200 -91.000 PHE 245 1.000 60.896 21.130 32.174 -99.200 -91.000 PHE 249 1.000 67.093 23.039 34.490 -99.200 -91.000