============================================================================= 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 8.163 7.185 18.453 -99.200 -91.000 TRP6 14 1.020 6.938 9.096 19.130 -99.200 -91.000 PHE 19 1.000 12.603 -4.395 3.013 -99.200 -91.000 TRP 37 1.040 22.812 11.295 14.076 -99.200 -91.000 TRP6 37 1.020 24.651 9.814 14.112 -99.200 -91.000 HIS 43 0.900 19.094 -7.960 19.334 -99.200 -91.000 TYR 47 0.840 23.955 -13.293 18.820 -99.200 -91.000 TRP 49 1.040 22.011 -17.003 16.330 -99.200 -91.000 TRP6 49 1.020 20.143 -15.769 17.059 -99.200 -91.000 PHE 53 1.000 22.277 -8.087 8.237 -99.200 -91.000 HIS 65 0.900 -0.831 1.492 10.286 -99.200 -91.000 TYR 70 0.840 7.351 2.663 -2.034 -99.200 -91.000 TYR 84 0.840 29.045 6.177 13.857 -99.200 -91.000 HIS 86 0.900 28.542 0.918 24.573 -99.200 -91.000 TYR 89 0.840 26.353 -6.358 20.818 -99.200 -91.000 TRP 91 1.040 30.048 -10.037 20.073 -99.200 -91.000 TRP6 91 1.020 30.998 -12.188 19.786 -99.200 -91.000 PHE 110 1.000 12.016 15.666 11.648 -99.200 -91.000 TYR 113 0.840 1.070 10.302 7.344 -99.200 -91.000 HIS 115 0.900 7.864 15.435 15.115 -99.200 -91.000 TYR 132 0.840 5.574 5.402 37.694 -99.200 -91.000 TRP 139 1.040 5.562 -2.895 10.911 -99.200 -91.000 TRP6 139 1.020 7.091 -1.097 11.050 -99.200 -91.000 PHE 176 1.000 13.535 -0.708 30.564 -99.200 -91.000 TYR 180 0.840 0.253 -6.204 31.935 -99.200 -91.000 PHE 199 1.000 9.100 0.106 28.125 -99.200 -91.000 PHE 205 1.000 6.824 14.834 36.203 -99.200 -91.000 TRP 209 1.040 4.157 10.050 23.178 -99.200 -91.000 TRP6 209 1.020 3.320 8.042 24.116 -99.200 -91.000 TYR 210 0.840 11.242 12.750 27.488 -99.200 -91.000 TRP 217 1.040 18.266 -9.965 27.113 -99.200 -91.000 TRP6 217 1.020 17.806 -11.552 28.788 -99.200 -91.000 TYR 227 0.840 8.416 -10.886 34.392 -99.200 -91.000 PHE 229 1.000 15.285 -9.588 31.242 -99.200 -91.000 TYR 230 0.840 11.549 -4.059 26.704 -99.200 -91.000 HIS 232 0.900 18.359 2.565 32.315 -99.200 -91.000 PHE 234 1.000 20.304 9.055 32.234 -99.200 -91.000 TRP 239 1.040 28.668 4.688 22.329 -99.200 -91.000 TRP6 239 1.020 26.849 4.059 20.967 -99.200 -91.000 PHE 247 1.000 33.221 9.210 14.249 -99.200 -91.000