============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. HIS 3 0.900 3.537 19.740 27.326 -99.200 -91.000 TYR 7 0.840 15.279 28.722 32.659 -99.200 -91.000 PHE 8 1.000 16.134 28.918 24.292 -99.200 -91.000 TYR 9 0.840 21.446 31.085 31.378 -99.200 -91.000 PHE 22 1.000 23.264 35.865 31.771 -99.200 -91.000 TYR 27 0.840 10.967 31.017 24.513 -99.200 -91.000 PHE 33 1.000 9.333 29.964 32.459 -99.200 -91.000 PHE 36 1.000 19.385 39.537 34.960 -99.200 -91.000 TRP 51 1.040 1.930 30.132 32.098 -99.200 -91.000 TRP6 51 1.020 4.120 29.413 32.649 -99.200 -91.000 TYR 59 0.840 10.075 31.261 40.276 -99.200 -91.000 TRP 60 1.040 8.714 36.250 41.141 -99.200 -91.000 TRP6 60 1.020 8.875 35.801 38.821 -99.200 -91.000 TYR 74 0.840 26.955 32.216 31.615 -99.200 -91.000 TYR 84 0.840 39.596 28.691 27.685 -99.200 -91.000 TYR 85 0.840 38.226 29.535 20.539 -99.200 -91.000 HIS 93 0.900 35.329 37.597 20.202 -99.200 -91.000 TYR 99 0.840 19.944 25.880 31.928 -99.200 -91.000 HIS 113 0.900 17.968 18.589 24.899 -99.200 -91.000 TYR 118 0.840 34.048 32.559 22.004 -99.200 -91.000 TYR 123 0.840 33.911 26.425 24.360 -99.200 -91.000 TRP 133 1.040 30.939 17.762 30.516 -99.200 -91.000 TRP6 133 1.020 29.122 19.289 30.637 -99.200 -91.000 TRP 147 1.040 32.586 23.407 32.744 -99.200 -91.000 TRP6 147 1.020 30.925 23.662 31.100 -99.200 -91.000 TRP 156 1.040 25.049 21.160 33.900 -99.200 -91.000 TRP6 156 1.020 23.213 22.537 33.263 -99.200 -91.000 TYR 159 0.840 18.170 22.438 36.497 -99.200 -91.000 TRP 167 1.040 10.502 23.903 40.685 -99.200 -91.000 TRP6 167 1.020 9.378 25.804 41.576 -99.200 -91.000 TYR 171 0.840 7.749 26.754 35.854 -99.200 -91.000 HIS 188 0.900 -6.306 31.992 3.595 -99.200 -91.000 HIS 191 0.900 -5.193 31.404 -9.396 -99.200 -91.000 HIS 192 0.900 -1.924 35.606 -4.547 -99.200 -91.000 HIS 197 0.900 3.010 30.129 -20.452 -99.200 -91.000 TRP 204 1.040 -2.078 32.438 2.835 -99.200 -91.000 TRP6 204 1.020 -0.630 34.031 3.771 -99.200 -91.000 PHE 208 1.000 0.950 27.390 12.735 -99.200 -91.000 TYR 209 0.840 1.496 27.226 22.074 -99.200 -91.000 TRP 217 1.040 1.225 23.930 -2.107 -99.200 -91.000 TRP6 217 1.020 -1.062 23.984 -2.752 -99.200 -91.000 PHE 241 1.000 4.852 30.420 17.231 -99.200 -91.000 TRP 244 1.040 3.502 32.760 2.950 -99.200 -91.000 TRP6 244 1.020 5.046 32.364 1.128 -99.200 -91.000 TYR 257 0.840 0.285 21.731 -8.842 -99.200 -91.000 HIS 260 0.900 -2.025 16.464 0.988 -99.200 -91.000 HIS 263 0.900 -1.023 22.764 15.188 -99.200 -91.000 TRP 274 1.040 -7.978 29.136 -5.875 -99.200 -91.000 TRP6 274 1.020 -8.485 29.497 -8.151 -99.200 -91.000