============================================================================= 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 13 0.840 -44.302 -5.392 17.907 -99.200 -91.000 TYR 16 0.840 -38.923 -10.031 3.971 -99.200 -91.000 TYR 24 0.840 -28.158 -17.221 1.422 -99.200 -91.000 PHE 29 1.000 -37.818 -13.068 7.877 -99.200 -91.000 TYR 32 0.840 -39.687 -6.678 21.742 -99.200 -91.000 PHE 46 1.000 -35.814 -21.853 20.909 -99.200 -91.000 TYR 48 0.840 -34.286 -18.891 16.056 -99.200 -91.000 TYR 58 0.840 -51.161 -9.863 14.150 -99.200 -91.000 TRP 67 1.040 -59.421 -21.194 15.955 -99.200 -91.000 TRP6 67 1.020 -59.135 -19.142 17.098 -99.200 -91.000 HIS 77 0.900 -49.938 -30.192 16.848 -99.200 -91.000 TYR 90 0.840 -63.046 -17.381 27.533 -99.200 -91.000 PHE 98 1.000 -51.657 -16.830 23.428 -99.200 -91.000 PHE 102 1.000 -43.619 -10.801 23.417 -99.200 -91.000 TYR 111 0.840 -55.795 16.511 21.084 -99.200 -91.000 TYR 131 0.840 -64.431 11.146 21.494 -99.200 -91.000 PHE 142 1.000 -62.222 -1.083 26.206 -99.200 -91.000 PHE 143 1.000 -63.210 3.318 23.401 -99.200 -91.000 TYR 151 0.840 -63.431 3.669 28.982 -99.200 -91.000 TRP 155 1.040 -70.128 1.696 20.185 -99.200 -91.000 TRP6 155 1.020 -68.760 1.591 18.257 -99.200 -91.000 PHE 157 1.000 -67.922 12.378 18.903 -99.200 -91.000 TYR 182 0.840 -59.425 11.327 14.735 -99.200 -91.000 TYR 193 0.840 -42.164 2.341 15.682 -99.200 -91.000 TYR 213 0.840 -48.516 -7.213 21.570 -99.200 -91.000 TYR 223 0.840 -39.631 -26.658 22.863 -99.200 -91.000 HIS 241 0.900 -35.632 0.181 29.852 -99.200 -91.000 TRP 247 1.040 -35.812 -3.643 17.731 -99.200 -91.000 TRP6 247 1.020 -35.070 -3.485 15.488 -99.200 -91.000 TRP 248 1.040 -42.006 1.032 20.847 -99.200 -91.000 TRP6 248 1.020 -41.834 -1.286 20.380 -99.200 -91.000