============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 14 0.840 55.037 15.742 195.937 -99.200 -91.000 HIS 15 0.900 63.313 11.283 200.779 -99.200 -91.000 TYR 18 0.840 61.945 13.526 207.606 -99.200 -91.000 PHE 19 1.000 59.653 22.206 201.843 -99.200 -91.000 PHE 24 1.000 49.943 23.074 209.770 -99.200 -91.000 HIS 25 0.900 54.132 21.728 212.752 -99.200 -91.000 HIS 43 0.900 65.732 20.719 190.504 -99.200 -91.000 TYR 54 0.840 66.357 35.744 197.590 -99.200 -91.000 TYR 65 0.840 64.815 16.658 204.415 -99.200 -91.000 PHE 68 1.000 70.793 17.706 194.801 -99.200 -91.000 HIS 81 0.900 76.579 34.304 206.967 -99.200 -91.000 HIS 97 0.900 72.729 27.119 214.981 -99.200 -91.000 TRP 100 1.040 70.712 14.434 215.487 -99.200 -91.000 TRP6 100 1.020 71.680 12.350 215.799 -99.200 -91.000 HIS 103 0.900 66.428 8.603 209.744 -99.200 -91.000 PHE 108 1.000 71.647 -2.936 216.691 -99.200 -91.000 HIS 119 0.900 61.725 -13.688 210.008 -99.200 -91.000 PHE 124 1.000 68.522 -2.304 204.084 -99.200 -91.000 TYR 140 0.840 70.684 -6.108 206.126 -99.200 -91.000 HIS 147 0.900 71.153 -9.338 217.259 -99.200 -91.000 TRP 161 1.040 64.855 7.192 198.697 -99.200 -91.000 TRP6 161 1.020 65.017 6.265 200.874 -99.200 -91.000 PHE 179 1.000 64.093 -12.856 199.955 -99.200 -91.000 HIS 196 0.900 49.364 -11.945 195.137 -99.200 -91.000 PHE 211 1.000 63.415 1.540 208.122 -99.200 -91.000 TYR 219 0.840 43.188 1.172 206.588 -99.200 -91.000 PHE 243 1.000 67.272 29.800 224.608 -99.200 -91.000 PHE 249 1.000 67.600 25.899 226.979 -99.200 -91.000 PHE 255 1.000 63.230 14.356 218.431 -99.200 -91.000