============================================================================= 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 8.425 7.359 18.279 -99.200 -91.000 TRP6 14 1.020 7.203 9.279 18.934 -99.200 -91.000 PHE 19 1.000 12.711 -4.200 2.683 -99.200 -91.000 TRP 37 1.040 23.078 11.278 14.002 -99.200 -91.000 TRP6 37 1.020 24.892 9.760 13.927 -99.200 -91.000 HIS 43 0.900 19.140 -8.024 19.002 -99.200 -91.000 TYR 47 0.840 23.883 -13.306 18.731 -99.200 -91.000 TRP 49 1.040 21.801 -16.830 16.272 -99.200 -91.000 TRP6 49 1.020 19.887 -15.601 16.881 -99.200 -91.000 PHE 53 1.000 22.251 -8.059 8.091 -99.200 -91.000 HIS 65 0.900 -0.946 1.420 9.911 -99.200 -91.000 TYR 70 0.840 7.277 2.772 -2.140 -99.200 -91.000 TYR 84 0.840 29.180 6.172 13.658 -99.200 -91.000 HIS 86 0.900 28.817 0.888 24.380 -99.200 -91.000 TYR 89 0.840 26.379 -6.365 20.614 -99.200 -91.000 TRP 91 1.040 30.109 -9.904 19.743 -99.200 -91.000 TRP6 91 1.020 31.155 -12.009 19.449 -99.200 -91.000 PHE 110 1.000 12.258 15.669 11.497 -99.200 -91.000 TYR 113 0.840 1.273 10.349 7.298 -99.200 -91.000 HIS 115 0.900 8.058 15.305 15.423 -99.200 -91.000 TYR 132 0.840 5.838 5.430 37.548 -99.200 -91.000 TRP 139 1.040 5.660 -2.923 10.791 -99.200 -91.000 TRP6 139 1.020 7.230 -1.184 10.982 -99.200 -91.000 PHE 177 1.000 13.644 -0.672 30.383 -99.200 -91.000 TYR 181 0.840 0.264 -6.169 31.854 -99.200 -91.000 PHE 200 1.000 9.239 0.147 27.992 -99.200 -91.000 PHE 206 1.000 7.059 14.840 35.995 -99.200 -91.000 TRP 210 1.040 4.351 10.150 23.043 -99.200 -91.000 TRP6 210 1.020 3.547 8.158 24.012 -99.200 -91.000 TYR 211 0.840 11.404 12.790 27.388 -99.200 -91.000 TRP 218 1.040 18.294 -9.873 26.898 -99.200 -91.000 TRP6 218 1.020 17.776 -11.400 28.621 -99.200 -91.000 TYR 228 0.840 8.430 -10.770 34.222 -99.200 -91.000 PHE 230 1.000 15.394 -9.461 31.076 -99.200 -91.000 TYR 231 0.840 11.570 -4.000 26.535 -99.200 -91.000 HIS 233 0.900 18.440 2.462 32.217 -99.200 -91.000 PHE 235 1.000 20.466 9.077 32.083 -99.200 -91.000 TRP 240 1.040 28.715 4.587 22.016 -99.200 -91.000 TRP6 240 1.020 26.821 4.028 20.707 -99.200 -91.000 PHE 248 1.000 32.409 9.124 14.420 -99.200 -91.000