============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 20 1.040 14.074 121.236 3.240 -99.200 -91.000 TRP6 20 1.020 13.323 123.477 3.324 -99.200 -91.000 HIS 26 0.900 16.004 110.349 5.695 -99.200 -91.000 HIS 54 0.900 26.117 123.502 18.319 -99.200 -91.000 PHE 71 1.000 12.124 112.035 18.644 -99.200 -91.000 HIS 76 0.900 7.888 120.006 32.138 -99.200 -91.000 PHE 80 1.000 12.675 118.599 22.941 -99.200 -91.000 PHE 103 1.000 18.188 101.258 1.416 -99.200 -91.000 TRP 108 1.040 25.424 104.750 0.620 -99.200 -91.000 TRP6 108 1.020 23.539 103.324 0.588 -99.200 -91.000 HIS 109 0.900 17.630 105.876 -0.092 -99.200 -91.000 TRP 110 1.040 19.415 113.907 0.476 -99.200 -91.000 TRP6 110 1.020 17.212 114.042 1.318 -99.200 -91.000 TRP 113 1.040 15.669 109.315 -3.763 -99.200 -91.000 TRP6 113 1.020 13.698 109.185 -5.057 -99.200 -91.000 HIS 118 0.900 21.778 110.010 -15.782 -99.200 -91.000 PHE 127 1.000 23.549 103.767 -5.418 -99.200 -91.000 PHE 135 1.000 20.896 99.268 -3.836 -99.200 -91.000 TRP 136 1.040 21.673 95.133 -8.346 -99.200 -91.000 TRP6 136 1.020 20.472 94.624 -6.375 -99.200 -91.000 HIS 140 0.900 30.435 91.635 -4.552 -99.200 -91.000 PHE 149 1.000 18.650 95.974 -0.827 -99.200 -91.000 TYR 167 0.840 1.190 78.186 -4.925 -99.200 -91.000 PHE 169 1.000 4.382 77.529 -1.487 -99.200 -91.000 PHE 192 1.000 2.567 74.587 2.577 -99.200 -91.000 PHE 229 1.000 18.906 87.304 -10.285 -99.200 -91.000 PHE 230 1.000 20.855 89.030 -14.919 -99.200 -91.000 TYR 240 0.840 12.567 76.253 -10.488 -99.200 -91.000 HIS 244 0.900 8.508 92.627 -3.364 -99.200 -91.000 HIS 247 0.900 10.290 95.236 -7.299 -99.200 -91.000 TRP 249 1.040 17.029 92.387 -12.245 -99.200 -91.000 TRP6 249 1.020 19.297 92.995 -12.489 -99.200 -91.000 PHE 287 1.000 5.353 109.329 -3.306 -99.200 -91.000 PHE 306 1.000 5.958 91.237 -13.606 -99.200 -91.000