============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 2 0.840 37.325 -16.237 106.110 -99.200 -91.000 HIS 8 0.900 26.122 -23.987 103.506 -99.200 -91.000 TYR 18 0.840 38.903 -31.206 84.148 -99.200 -91.000 TRP 50 1.040 26.576 -22.780 94.240 -99.200 -91.000 TRP6 50 1.020 25.577 -20.805 93.437 -99.200 -91.000 HIS 53 0.900 24.756 -27.816 99.295 -99.200 -91.000 PHE 57 1.000 17.272 -21.371 94.797 -99.200 -91.000 TRP 73 1.040 20.059 -18.893 81.981 -99.200 -91.000 TRP6 73 1.020 21.088 -19.800 80.060 -99.200 -91.000 TYR 83 0.840 37.924 -17.019 91.414 -99.200 -91.000 PHE 88 1.000 45.108 -18.894 82.828 -99.200 -91.000 TYR 94 0.840 34.569 -19.635 77.590 -99.200 -91.000 TYR 98 0.840 37.191 -25.046 74.185 -99.200 -91.000 TYR 124 0.840 34.580 -8.963 88.982 -99.200 -91.000 PHE 134 1.000 33.327 -17.590 91.365 -99.200 -91.000 HIS 149 0.900 7.761 -14.255 84.423 -99.200 -91.000 HIS 164 0.900 24.241 -5.344 101.002 -99.200 -91.000 TYR 170 0.840 35.787 -12.073 102.591 -99.200 -91.000 HIS 175 0.900 39.999 -7.233 101.054 -99.200 -91.000 HIS 202 0.900 27.097 -14.431 69.228 -99.200 -91.000 PHE 203 1.000 22.360 -21.073 72.608 -99.200 -91.000 TYR 204 0.840 17.161 -17.674 73.521 -99.200 -91.000 HIS 215 0.900 30.920 -28.322 61.956 -99.200 -91.000 PHE 218 1.000 27.975 -28.425 54.508 -99.200 -91.000