============================================================================= 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 2 1.000 211.411 82.011 2.309 -99.200 -91.000 PHE 5 1.000 209.540 90.314 -3.042 -99.200 -91.000 TYR 28 0.840 221.445 68.457 -15.442 -99.200 -91.000 TYR 44 0.840 218.245 58.415 -31.638 -99.200 -91.000 TYR 48 0.840 220.948 52.475 -36.982 -99.200 -91.000 TYR 50 0.840 215.385 45.998 -29.122 -99.200 -91.000 HIS 51 0.900 213.896 50.866 -37.746 -99.200 -91.000 PHE 54 1.000 210.893 45.977 -39.810 -99.200 -91.000 TYR 56 0.840 217.774 37.349 -39.890 -99.200 -91.000 PHE 57 1.000 214.186 37.538 -36.330 -99.200 -91.000 PHE 70 1.000 209.602 42.101 -28.754 -99.200 -91.000 PHE 71 1.000 213.431 41.396 -32.096 -99.200 -91.000 HIS 81 0.900 212.088 53.301 -23.500 -99.200 -91.000 TYR 88 0.840 215.761 65.124 -16.279 -99.200 -91.000 PHE 108 1.000 220.308 40.541 -35.700 -99.200 -91.000 HIS 110 0.900 223.797 30.347 -32.606 -99.200 -91.000 HIS 118 0.900 222.415 34.844 -32.112 -99.200 -91.000 HIS 138 0.900 218.892 56.256 -8.882 -99.200 -91.000 PHE 152 1.000 213.552 61.637 -16.595 -99.200 -91.000 TYR 157 0.840 214.093 56.614 -19.048 -99.200 -91.000 TYR 171 0.840 208.256 37.951 -25.707 -99.200 -91.000 HIS 182 0.900 203.831 22.878 -35.770 -99.200 -91.000 TRP 185 1.040 204.740 29.527 -38.833 -99.200 -91.000 TRP6 185 1.020 202.561 28.752 -38.326 -99.200 -91.000 HIS 186 0.900 201.390 27.153 -31.820 -99.200 -91.000 PHE 187 1.000 207.821 33.211 -28.838 -99.200 -91.000 HIS 193 0.900 197.371 36.876 -34.762 -99.200 -91.000