============================================================================= 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. PHE 9 1.000 42.401 1.780 -0.620 -99.200 -91.000 HIS 36 0.900 42.280 -12.767 24.715 -99.200 -91.000 TYR 38 0.840 38.609 -13.076 19.171 -99.200 -91.000 TRP 39 1.040 41.669 -11.938 10.735 -99.200 -91.000 TRP6 39 1.020 42.026 -9.853 9.701 -99.200 -91.000 TYR 40 0.840 33.989 -10.865 14.753 -99.200 -91.000 TYR 53 0.840 38.097 -20.241 17.305 -99.200 -91.000 PHE 66 1.000 36.803 -16.584 4.031 -99.200 -91.000 PHE 75 1.000 47.401 -10.131 15.225 -99.200 -91.000 TYR 90 0.840 36.628 -10.292 4.096 -99.200 -91.000 TYR 91 0.840 34.376 -4.072 9.995 -99.200 -91.000 TYR 100 0.840 36.374 -7.250 25.488 -99.200 -91.000 PHE 102 1.000 34.415 -5.001 16.651 -99.200 -91.000 PHE 122 1.000 12.831 4.653 -15.669 -99.200 -91.000 PHE 139 1.000 16.429 3.321 -11.239 -99.200 -91.000 PHE 143 1.000 28.420 1.755 -12.416 -99.200 -91.000 TYR 144 0.840 35.201 -4.007 -11.988 -99.200 -91.000 TRP 152 1.040 20.857 14.444 -13.277 -99.200 -91.000 TRP6 152 1.020 18.961 13.530 -14.400 -99.200 -91.000 TRP 167 1.040 27.566 6.107 -6.352 -99.200 -91.000 TRP6 167 1.020 27.287 8.102 -5.123 -99.200 -91.000 TYR 177 0.840 31.471 -1.672 -7.759 -99.200 -91.000 TYR 190 0.840 9.252 17.814 -15.830 -99.200 -91.000 HIS 193 0.900 14.244 25.284 -17.966 -99.200 -91.000 TYR 196 0.840 13.736 18.369 -17.676 -99.200 -91.000 HIS 202 0.900 32.363 2.582 -16.453 -99.200 -91.000 PHE 213 1.000 12.416 13.301 -19.507 -99.200 -91.000