============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. TYR 3 0.840 67.322 14.294 5.396 -99.200 -91.000 PHE 29 1.000 84.948 21.128 6.434 -99.200 -91.000 HIS 31 0.900 76.657 14.290 10.271 -99.200 -91.000 PHE 35 1.000 71.946 6.596 4.922 -99.200 -91.000 PHE 41 1.000 66.639 3.217 -3.169 -99.200 -91.000 HIS 50 0.900 57.360 13.619 -6.872 -99.200 -91.000 HIS 56 0.900 63.528 9.377 -16.577 -99.200 -91.000 TRP 60 1.040 71.300 14.312 -18.367 -99.200 -91.000 TRP6 60 1.020 71.967 15.788 -16.664 -99.200 -91.000 PHE 61 1.000 74.225 12.900 -12.493 -99.200 -91.000 TYR 70 0.840 67.282 11.010 -20.416 -99.200 -91.000 HIS 72 0.900 63.875 20.835 -20.202 -99.200 -91.000 TRP 79 1.040 70.756 18.914 -13.075 -99.200 -91.000 TRP6 79 1.020 72.642 20.087 -12.286 -99.200 -91.000 TRP 82 1.040 71.995 26.260 -11.041 -99.200 -91.000 TRP6 82 1.020 70.238 24.888 -10.244 -99.200 -91.000 TYR 93 0.840 77.334 16.321 -10.609 -99.200 -91.000 TRP 97 1.040 79.961 10.601 -12.788 -99.200 -91.000 TRP6 97 1.020 78.049 9.392 -12.116 -99.200 -91.000 TRP 100 1.040 89.673 13.372 -16.379 -99.200 -91.000 TRP6 100 1.020 89.279 14.001 -14.151 -99.200 -91.000 HIS 107 0.900 87.449 13.178 -24.957 -99.200 -91.000 TRP 132 1.040 87.551 19.380 -7.655 -99.200 -91.000 TRP6 132 1.020 85.712 20.660 -6.992 -99.200 -91.000 HIS 146 0.900 76.413 14.058 -7.520 -99.200 -91.000 PHE 148 1.000 87.907 11.058 -4.753 -99.200 -91.000 PHE 149 1.000 80.889 7.991 -7.952 -99.200 -91.000 PHE 151 1.000 81.168 2.401 -6.957 -99.200 -91.000 TYR 152 0.840 85.748 -2.273 1.560 -99.200 -91.000 TYR 163 0.840 84.717 15.313 0.877 -99.200 -91.000 PHE 170 1.000 63.275 20.719 2.457 -99.200 -91.000 PHE 175 1.000 65.750 14.601 -6.079 -99.200 -91.000 TYR 180 0.840 76.714 9.200 -5.780 -99.200 -91.000 HIS 185 0.900 69.922 -1.900 -4.307 -99.200 -91.000 PHE 198 1.000 75.762 6.828 -0.386 -99.200 -91.000 TRP 200 1.040 76.206 12.210 2.082 -99.200 -91.000 TRP6 200 1.020 76.444 13.914 3.710 -99.200 -91.000 HIS 206 0.900 75.020 24.050 2.178 -99.200 -91.000 TYR 208 0.840 71.096 27.152 0.312 -99.200 -91.000 HIS 211 0.900 65.739 25.159 1.480 -99.200 -91.000 HIS 216 0.900 62.272 24.991 12.994 -99.200 -91.000 PHE 239 1.000 78.457 2.511 -19.324 -99.200 -91.000 TYR 241 0.840 70.743 -1.329 -14.876 -99.200 -91.000 PHE 243 1.000 60.526 5.944 -14.586 -99.200 -91.000 PHE 246 1.000 66.536 1.259 -12.167 -99.200 -91.000 TYR 251 0.840 58.902 6.801 -0.757 -99.200 -91.000 HIS 254 0.900 55.343 11.540 8.006 -99.200 -91.000