============================================================================= 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 31.649 42.827 -5.888 -99.200 -91.000 TRP6 14 1.020 31.087 42.839 -8.185 -99.200 -91.000 PHE 19 1.000 28.018 48.782 10.083 -99.200 -91.000 TRP 37 1.040 26.034 30.733 1.667 -99.200 -91.000 TRP6 37 1.020 26.750 29.928 3.767 -99.200 -91.000 HIS 43 0.900 42.293 40.126 10.137 -99.200 -91.000 TYR 47 0.840 44.672 39.016 15.015 -99.200 -91.000 TRP 49 1.040 44.972 43.830 17.386 -99.200 -91.000 TRP6 49 1.020 44.858 43.969 15.023 -99.200 -91.000 PHE 53 1.000 33.451 41.029 17.425 -99.200 -91.000 HIS 65 0.900 28.758 56.202 -3.336 -99.200 -91.000 TYR 70 0.840 18.209 54.099 5.471 -99.200 -91.000 TYR 84 0.840 28.834 28.114 8.763 -99.200 -91.000 HIS 86 0.900 40.336 26.625 6.311 -99.200 -91.000 TYR 89 0.840 42.047 32.776 11.779 -99.200 -91.000 TRP 91 1.040 44.105 32.631 16.631 -99.200 -91.000 TRP6 91 1.020 45.234 33.354 18.577 -99.200 -91.000 PHE 110 1.000 21.520 38.412 -5.780 -99.200 -91.000 TYR 113 0.840 21.347 51.451 -6.375 -99.200 -91.000 HIS 115 0.900 24.463 40.822 -9.888 -99.200 -91.000 TYR 132 0.840 48.193 39.130 -15.802 -99.200 -91.000 TRP 139 1.040 32.733 51.425 3.615 -99.200 -91.000 TRP6 139 1.020 31.748 53.474 3.006 -99.200 -91.000 TRP 146 1.040 52.394 55.630 11.469 -99.200 -91.000 TRP6 146 1.020 54.093 56.851 12.561 -99.200 -91.000 PHE 184 1.000 46.336 37.628 -4.104 -99.200 -91.000 TYR 188 0.840 50.413 50.664 -7.905 -99.200 -91.000 PHE 207 1.000 43.760 41.695 -5.611 -99.200 -91.000 PHE 213 1.000 40.799 34.950 -20.724 -99.200 -91.000 TRP 217 1.040 33.918 43.580 -12.335 -99.200 -91.000 TRP6 217 1.020 35.977 44.684 -12.025 -99.200 -91.000 TYR 218 0.840 35.578 35.000 -12.676 -99.200 -91.000 TRP 225 1.040 49.183 43.375 8.111 -99.200 -91.000 TRP6 225 1.020 50.790 42.188 9.375 -99.200 -91.000 TYR 235 0.840 55.678 44.796 -2.178 -99.200 -91.000 PHE 237 1.000 51.814 40.062 4.297 -99.200 -91.000 TYR 238 0.840 45.435 42.142 -0.909 -99.200 -91.000 HIS 240 0.900 45.364 31.900 -4.521 -99.200 -91.000 PHE 242 1.000 41.448 27.452 -7.796 -99.200 -91.000 TRP 247 1.040 36.395 26.062 5.132 -99.200 -91.000 TRP6 247 1.020 35.774 28.344 5.153 -99.200 -91.000 PHE 255 1.000 27.352 23.852 8.151 -99.200 -91.000