============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. TYR 5 0.840 -34.034 31.704 186.694 -99.200 -91.000 PHE 11 1.000 -22.463 25.056 186.302 -99.200 -91.000 HIS 13 0.900 -26.833 33.701 182.089 -99.200 -91.000 PHE 15 1.000 -19.237 25.582 180.453 -99.200 -91.000 TRP 16 1.040 -23.123 27.412 178.300 -99.200 -91.000 TRP6 16 1.020 -21.989 26.217 176.583 -99.200 -91.000 HIS 23 0.900 -15.803 29.160 171.913 -99.200 -91.000 PHE 26 1.000 -9.093 30.112 173.388 -99.200 -91.000 TYR 44 0.840 -19.252 44.089 169.571 -99.200 -91.000 PHE 45 1.000 -18.807 39.033 168.405 -99.200 -91.000 PHE 49 1.000 -19.936 36.725 174.182 -99.200 -91.000 PHE 62 1.000 -26.245 38.549 182.339 -99.200 -91.000 PHE 76 1.000 -15.889 37.086 164.546 -99.200 -91.000 HIS 92 0.900 -2.396 31.516 161.173 -99.200 -91.000 PHE 93 1.000 -8.129 28.836 166.680 -99.200 -91.000 PHE 97 1.000 -10.354 24.532 168.053 -99.200 -91.000 HIS 100 0.900 -15.622 19.990 166.654 -99.200 -91.000 TYR 108 0.840 -24.852 31.369 177.145 -99.200 -91.000 PHE 114 1.000 -35.575 24.813 178.460 -99.200 -91.000 PHE 124 1.000 -31.537 19.896 177.049 -99.200 -91.000 HIS 125 0.900 -31.340 9.677 176.515 -99.200 -91.000 HIS 128 0.900 -28.516 17.871 173.856 -99.200 -91.000 TYR 129 0.840 -26.401 17.017 178.568 -99.200 -91.000 HIS 130 0.900 -22.551 10.084 176.042 -99.200 -91.000 TRP 133 1.040 -21.014 18.908 175.570 -99.200 -91.000 TRP6 133 1.020 -19.627 20.832 175.566 -99.200 -91.000 HIS 140 0.900 -11.995 20.624 173.479 -99.200 -91.000 PHE 162 1.000 -6.451 11.076 176.250 -99.200 -91.000 HIS 165 0.900 -8.743 5.359 173.283 -99.200 -91.000 PHE 166 1.000 -12.400 11.905 174.339 -99.200 -91.000 PHE 169 1.000 -15.457 6.212 174.520 -99.200 -91.000 TYR 170 0.840 -20.547 11.752 166.574 -99.200 -91.000 TYR 179 0.840 -28.384 0.223 169.113 -99.200 -91.000 HIS 185 0.900 -36.691 6.926 174.169 -99.200 -91.000 HIS 186 0.900 -32.652 6.762 180.235 -99.200 -91.000 PHE 187 1.000 -30.178 1.093 175.104 -99.200 -91.000 PHE 193 1.000 -21.329 5.839 174.468 -99.200 -91.000 PHE 204 1.000 -8.842 15.337 175.994 -99.200 -91.000 HIS 206 0.900 -6.497 12.201 185.877 -99.200 -91.000 PHE 207 1.000 -2.548 14.750 176.646 -99.200 -91.000 HIS 209 0.900 -6.525 18.814 185.205 -99.200 -91.000 HIS 231 0.900 -12.423 27.197 175.848 -99.200 -91.000 TYR 238 0.840 -21.979 22.712 180.577 -99.200 -91.000 TYR 239 0.840 -19.347 14.660 177.115 -99.200 -91.000 HIS 260 0.900 -5.550 22.909 188.114 -99.200 -91.000 HIS 261 0.900 -0.860 29.276 187.074 -99.200 -91.000 HIS 262 0.900 -4.573 29.686 182.726 -99.200 -91.000 HIS 263 0.900 -6.913 31.377 190.762 -99.200 -91.000 HIS 264 0.900 -5.615 37.550 187.256 -99.200 -91.000 HIS 265 0.900 -8.967 32.274 193.812 -99.200 -91.000