============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 68 rings ring int. center anis. iso. PHE 2 1.000 9.197 -33.088 -19.874 -99.200 -91.000 TYR 8 0.840 15.540 -27.621 -16.661 -99.200 -91.000 PHE 9 1.000 17.905 -34.929 -11.176 -99.200 -91.000 TRP 22 1.040 18.484 -19.532 4.896 -99.200 -91.000 TRP6 22 1.020 17.781 -17.631 6.073 -99.200 -91.000 PHE 23 1.000 19.445 -28.354 10.651 -99.200 -91.000 HIS 24 0.900 24.886 -26.392 8.788 -99.200 -91.000 PHE 29 1.000 21.185 -14.431 14.265 -99.200 -91.000 TRP 47 1.040 16.480 -35.992 -5.192 -99.200 -91.000 TRP6 47 1.020 15.585 -37.705 -3.845 -99.200 -91.000 PHE 50 1.000 13.363 -31.232 -11.594 -99.200 -91.000 TYR 54 0.840 18.424 -39.337 -15.584 -99.200 -91.000 TYR 56 0.840 7.908 -41.466 -19.038 -99.200 -91.000 TYR 60 0.840 8.285 -45.802 -20.798 -99.200 -91.000 TYR 61 0.840 11.779 -39.822 -23.928 -99.200 -91.000 PHE 62 1.000 19.850 -47.278 -21.383 -99.200 -91.000 TYR 69 0.840 28.021 -44.040 -18.518 -99.200 -91.000 HIS 70 0.900 28.949 -45.002 -23.353 -99.200 -91.000 PHE 75 1.000 32.106 -37.392 -17.564 -99.200 -91.000 PHE 77 1.000 26.084 -30.595 -17.536 -99.200 -91.000 TYR 93 0.840 21.301 -37.206 10.863 -99.200 -91.000 TRP 95 1.040 11.812 -32.851 9.709 -99.200 -91.000 TRP6 95 1.020 12.068 -31.856 7.586 -99.200 -91.000 TRP 105 1.040 25.956 -45.365 4.220 -99.200 -91.000 TRP6 105 1.020 28.312 -45.301 4.041 -99.200 -91.000 PHE 114 1.000 28.714 -40.545 -13.729 -99.200 -91.000 TRP 123 1.040 42.750 -40.389 -16.111 -99.200 -91.000 TRP6 123 1.020 43.764 -41.370 -14.247 -99.200 -91.000 PHE 128 1.000 38.686 -34.025 -21.698 -99.200 -91.000 HIS 134 0.900 32.462 -27.578 -22.205 -99.200 -91.000 PHE 137 1.000 37.086 -33.763 -15.132 -99.200 -91.000 TYR 138 0.840 36.013 -27.058 -11.507 -99.200 -91.000 PHE 146 1.000 35.698 -30.501 -2.312 -99.200 -91.000 TYR 157 0.840 29.757 -44.020 9.270 -99.200 -91.000 HIS 158 0.900 33.002 -36.618 12.425 -99.200 -91.000 TYR 162 0.840 39.273 -34.742 8.205 -99.200 -91.000 PHE 164 1.000 33.990 -41.042 -0.241 -99.200 -91.000 PHE 165 1.000 38.489 -31.357 2.483 -99.200 -91.000 TRP 172 1.040 39.523 -26.603 -6.960 -99.200 -91.000 TRP6 172 1.020 39.860 -25.568 -4.879 -99.200 -91.000 PHE 175 1.000 38.924 -29.948 -15.237 -99.200 -91.000 HIS 182 0.900 39.429 -25.194 -23.561 -99.200 -91.000 PHE 192 1.000 28.645 -25.916 -24.960 -99.200 -91.000 PHE 204 1.000 33.007 -18.969 -1.785 -99.200 -91.000 TYR 210 0.840 39.277 -28.116 6.930 -99.200 -91.000 HIS 215 0.900 34.155 -32.735 15.064 -99.200 -91.000 TRP 226 1.040 34.779 -18.121 3.183 -99.200 -91.000 TRP6 226 1.020 33.992 -16.405 4.585 -99.200 -91.000 TYR 228 0.840 41.530 -19.791 -6.394 -99.200 -91.000 PHE 230 1.000 34.446 -14.114 0.197 -99.200 -91.000 PHE 234 1.000 35.826 -9.803 -4.591 -99.200 -91.000 PHE 235 1.000 40.047 -13.074 -10.908 -99.200 -91.000 PHE 240 1.000 25.430 -12.509 -14.392 -99.200 -91.000 TRP 242 1.040 32.445 -13.550 -22.557 -99.200 -91.000 TRP6 242 1.020 32.930