============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 46.990 62.232 16.624 -99.200 -91.000 TRP6 14 1.020 48.292 60.322 16.446 -99.200 -91.000 PHE 19 1.000 35.115 72.114 29.495 -99.200 -91.000 TRP 37 1.040 55.051 75.118 21.318 -99.200 -91.000 TRP6 37 1.020 54.447 77.272 20.766 -99.200 -91.000 HIS 43 0.900 36.674 77.870 12.686 -99.200 -91.000 TYR 47 0.840 33.082 83.251 11.961 -99.200 -91.000 TRP 49 1.040 28.449 83.101 13.684 -99.200 -91.000 TRP6 49 1.020 29.030 80.879 13.496 -99.200 -91.000 PHE 53 1.000 35.956 81.834 23.185 -99.200 -91.000 HIS 65 0.900 36.709 56.443 24.254 -99.200 -91.000 TYR 70 0.840 38.211 65.185 36.302 -99.200 -91.000 TYR 84 0.840 52.292 82.423 19.967 -99.200 -91.000 HIS 86 0.900 49.297 83.043 8.780 -99.200 -91.000 TYR 89 0.840 40.935 83.700 11.001 -99.200 -91.000 TRP 91 1.040 37.821 87.781 10.531 -99.200 -91.000 TRP6 91 1.020 35.906 89.034 10.369 -99.200 -91.000 PHE 110 1.000 54.466 63.969 24.906 -99.200 -91.000 TYR 113 0.840 45.140 55.637 28.124 -99.200 -91.000 HIS 115 0.900 53.680 59.402 21.418 -99.200 -91.000 TYR 132 0.840 47.484 58.184 -2.494 -99.200 -91.000 TRP 139 1.040 35.069 63.937 22.021 -99.200 -91.000 TRP6 139 1.020 37.227 64.748 22.195 -99.200 -91.000 TRP 146 1.040 19.746 67.336 17.113 -99.200 -91.000 TRP6 146 1.020 21.623 68.584 16.619 -99.200 -91.000 PHE 184 1.000 43.772 68.443 3.056 -99.200 -91.000 TYR 188 0.840 34.057 58.057 1.092 -99.200 -91.000 PHE 207 1.000 42.272 64.521 5.687 -99.200 -91.000 PHE 213 1.000 56.905 53.293 1.295 -99.200 -91.000 TRP 217 1.040 48.971 56.870 12.811 -99.200 -91.000 TRP6 217 1.020 47.048 56.655 11.559 -99.200 -91.000 TYR 218 0.840 54.631 62.087 8.779 -99.200 -91.000 TRP 225 1.040 36.206 76.670 4.498 -99.200 -91.000 TRP6 225 1.020 34.821 76.675 2.640 -99.200 -91.000 TYR 235 0.840 33.239 66.932 -2.952 -99.200 -91.000 PHE 237 1.000 36.622 73.299 0.320 -99.200 -91.000 TYR 238 0.840 39.158 68.245 6.237 -99.200 -91.000 HIS 240 0.900 48.452 71.925 1.897 -99.200 -91.000 PHE 242 1.000 55.080 70.997 3.017 -99.200 -91.000 TRP 247 1.040 52.270 81.652 11.571 -99.200 -91.000 TRP6 247 1.020 50.806 80.354 12.817 -99.200 -91.000 PHE 255 1.000 66.351 73.254 16.433 -99.200 -91.000