============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 8.432 6.293 18.472 -99.200 -91.000 TRP6 14 1.020 7.174 8.156 19.214 -99.200 -91.000 PHE 19 1.000 12.730 -5.329 3.156 -99.200 -91.000 TRP 37 1.040 23.010 10.248 14.121 -99.200 -91.000 TRP6 37 1.020 24.844 8.754 14.040 -99.200 -91.000 HIS 43 0.900 19.423 -9.105 19.417 -99.200 -91.000 TYR 47 0.840 23.844 -14.289 18.856 -99.200 -91.000 TRP 49 1.040 21.941 -17.917 16.523 -99.200 -91.000 TRP6 49 1.020 20.022 -16.657 17.082 -99.200 -91.000 PHE 53 1.000 22.316 -9.275 8.397 -99.200 -91.000 HIS 65 0.900 -0.975 0.582 10.192 -99.200 -91.000 TYR 70 0.840 7.372 1.555 -1.956 -99.200 -91.000 TYR 84 0.840 29.170 5.128 13.753 -99.200 -91.000 HIS 86 0.900 29.035 -0.158 24.567 -99.200 -91.000 TYR 89 0.840 26.527 -7.390 20.910 -99.200 -91.000 TRP 91 1.040 30.094 -11.052 20.222 -99.200 -91.000 TRP6 91 1.020 31.113 -13.179 19.897 -99.200 -91.000 PHE 110 1.000 12.226 14.512 11.676 -99.200 -91.000 TYR 113 0.840 1.190 9.226 7.449 -99.200 -91.000 HIS 115 0.900 7.893 14.391 15.414 -99.200 -91.000 TYR 132 0.840 5.925 4.468 37.706 -99.200 -91.000 TRP 139 1.040 5.441 -3.874 11.092 -99.200 -91.000 TRP6 139 1.020 7.058 -2.136 11.192 -99.200 -91.000 PHE 176 1.000 13.782 -1.592 30.799 -99.200 -91.000 TYR 180 0.840 0.562 -7.171 32.150 -99.200 -91.000 PHE 199 1.000 9.422 -0.675 28.243 -99.200 -91.000 PHE 205 1.000 6.994 13.977 35.961 -99.200 -91.000 TRP 209 1.040 4.424 9.166 23.224 -99.200 -91.000 TRP6 209 1.020 3.641 7.182 24.255 -99.200 -91.000 TYR 210 0.840 11.342 11.909 27.611 -99.200 -91.000 TRP 217 1.040 18.510 -10.886 27.161 -99.200 -91.000 TRP6 217 1.020 17.877 -12.432 28.845 -99.200 -91.000 TYR 227 0.840 8.804 -11.750 34.585 -99.200 -91.000 PHE 229 1.000 15.547 -10.474 31.480 -99.200 -91.000 TYR 230 0.840 11.701 -4.885 26.895 -99.200 -91.000 HIS 232 0.900 18.606 1.643 32.414 -99.200 -91.000 PHE 234 1.000 20.378 8.335 32.208 -99.200 -91.000 TRP 239 1.040 28.702 3.693 22.362 -99.200 -91.000 TRP6 239 1.020 26.933 3.040 20.948 -99.200 -91.000 PHE 247 1.000 32.359 8.313 14.870 -99.200 -91.000