============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TYR 7 0.840 50.918 20.994 -6.646 -99.200 -91.000 TYR 8 0.840 45.668 22.327 -12.400 -99.200 -91.000 TYR 11 0.840 49.156 30.248 -16.231 -99.200 -91.000 HIS 13 0.900 50.497 32.611 -9.403 -99.200 -91.000 PHE 47 1.000 50.619 23.146 -18.389 -99.200 -91.000 TYR 68 0.840 49.430 9.957 1.340 -99.200 -91.000 PHE 73 1.000 41.623 17.060 -0.816 -99.200 -91.000 PHE 79 1.000 35.115 31.859 -15.054 -99.200 -91.000 PHE 89 1.000 43.399 12.851 -8.031 -99.200 -91.000 TRP 97 1.040 30.937 8.241 -1.345 -99.200 -91.000 TRP6 97 1.020 29.156 6.796 -1.903 -99.200 -91.000 TYR 103 0.840 32.905 8.219 7.866 -99.200 -91.000 PHE 110 1.000 47.282 24.390 -0.706 -99.200 -91.000 TRP 127 1.040 36.112 23.292 3.703 -99.200 -91.000 TRP6 127 1.020 35.363 24.949 5.211 -99.200 -91.000 HIS 132 0.900 28.379 14.984 -0.897 -99.200 -91.000 HIS 133 0.900 35.445 10.571 -1.046 -99.200 -91.000 TYR 142 0.840 39.576 35.296 11.568 -99.200 -91.000 PHE 148 1.000 43.406 38.504 14.199 -99.200 -91.000 TYR 159 0.840 35.668 30.835 5.233 -99.200 -91.000 TYR 183 0.840 48.047 27.869 12.432 -99.200 -91.000 TYR 187 0.840 44.539 23.565 13.521 -99.200 -91.000