============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TRP 23 1.040 12.861 -37.282 -9.084 -99.200 -91.000 TRP6 23 1.020 14.802 -38.317 -8.219 -99.200 -91.000 TRP 25 1.040 10.595 -42.918 -5.950 -99.200 -91.000 TRP6 25 1.020 12.436 -43.661 -7.230 -99.200 -91.000 PHE 35 1.000 -6.355 -28.775 -2.069 -99.200 -91.000 HIS 36 0.900 0.016 -32.777 -3.819 -99.200 -91.000 PHE 37 1.000 -4.529 -35.822 1.081 -99.200 -91.000 TRP 47 1.040 0.878 -53.223 0.042 -99.200 -91.000 TRP6 47 1.020 -0.200 -52.922 2.124 -99.200 -91.000 HIS 53 0.900 2.462 -34.941 8.408 -99.200 -91.000 PHE 67 1.000 6.995 -32.523 -15.242 -99.200 -91.000 PHE 85 1.000 -3.364 -52.111 6.290 -99.200 -91.000 TYR 90 0.840 1.278 -39.368 13.877 -99.200 -91.000 PHE 110 1.000 5.365 -50.683 -10.037 -99.200 -91.000 PHE 126 1.000 20.656 -45.225 3.750 -99.200 -91.000 TRP 137 1.040 3.595 -32.114 -8.271 -99.200 -91.000 TRP6 137 1.020 3.597 -34.471 -8.036 -99.200 -91.000 TYR 142 0.840 5.216 -19.750 5.162 -99.200 -91.000 TYR 165 0.840 16.095 -24.099 14.414 -99.200 -91.000 TRP 166 1.040 14.300 -28.652 14.073 -99.200 -91.000 TRP6 166 1.020 12.456 -27.172 14.165 -99.200 -91.000 TRP 201 1.040 17.851 -42.580 -7.293 -99.200 -91.000 TRP6 201 1.020 18.985 -40.836 -6.167 -99.200 -91.000 TRP 209 1.040 8.588 -32.771 12.634 -99.200 -91.000 TRP6 209 1.020 9.928 -31.294 13.913 -99.200 -91.000 TYR 222 0.840 13.049 -34.680 5.110 -99.200 -91.000 TRP 231 1.040 3.935 -50.559 11.368 -99.200 -91.000 TRP6 231 1.020 3.363 -49.161 9.547 -99.200 -91.000