============================================================================= 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 27 0.840 49.405 55.329 197.208 -99.200 -91.000 PHE 29 1.000 51.528 61.691 197.492 -99.200 -91.000 PHE 32 1.000 49.624 54.283 191.683 -99.200 -91.000 TYR 33 0.840 45.593 61.134 187.543 -99.200 -91.000 TYR 35 0.840 41.123 60.135 191.834 -99.200 -91.000 TRP 36 1.040 42.113 65.816 198.270 -99.200 -91.000 TRP6 36 1.020 42.272 66.082 200.609 -99.200 -91.000 TRP 47 1.040 35.957 64.444 192.261 -99.200 -91.000 TRP6 47 1.020 35.949 65.665 190.242 -99.200 -91.000 TYR 60 0.840 41.242 72.657 191.636 -99.200 -91.000 PHE 64 1.000 33.089 71.836 195.894 -99.200 -91.000 TYR 80 0.840 49.825 69.364 202.630 -99.200 -91.000 TYR 93 0.840 35.419 69.186 203.467 -99.200 -91.000 TYR 94 0.840 34.801 60.428 203.873 -99.200 -91.000 TRP 100 1.040 46.493 47.301 193.696 -99.200 -91.000 TRP6 100 1.020 45.636 47.813 195.834 -99.200 -91.000 PHE 105 1.000 37.263 58.835 193.803 -99.200 -91.000 TRP 108 1.040 37.144 55.596 199.733 -99.200 -91.000 TRP6 108 1.020 35.885 57.554 199.351 -99.200 -91.000 PHE 127 1.000 19.238 71.945 230.752 -99.200 -91.000 TYR 150 0.840 26.252 69.526 221.031 -99.200 -91.000 PHE 151 1.000 30.180 75.083 216.286 -99.200 -91.000 TRP 159 1.040 20.737 56.429 228.044 -99.200 -91.000 TRP6 159 1.020 19.239 57.416 229.577 -99.200 -91.000 HIS 169 0.900 14.893 53.822 219.376 -99.200 -91.000 PHE 171 1.000 14.939 59.865 218.613 -99.200 -91.000 TYR 181 0.840 26.007 70.961 215.358 -99.200 -91.000 TYR 199 0.840 16.505 53.645 234.523 -99.200 -91.000 HIS 205 0.900 31.664 69.372 222.761 -99.200 -91.000