============================================================================= 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. PHE 36 1.000 56.887 23.365 40.186 -99.200 -91.000 TRP 39 1.040 65.371 19.585 29.304 -99.200 -91.000 TRP6 39 1.020 67.472 20.472 28.673 -99.200 -91.000 TYR 53 0.840 54.535 18.246 32.340 -99.200 -91.000 PHE 66 1.000 62.405 16.169 20.964 -99.200 -91.000 PHE 75 1.000 67.407 18.932 36.576 -99.200 -91.000 TYR 90 0.840 66.305 21.078 21.000 -99.200 -91.000 TYR 91 0.840 66.135 29.285 24.477 -99.200 -91.000 TRP 93 1.040 60.967 28.582 33.112 -99.200 -91.000 TRP6 93 1.020 59.364 27.356 34.310 -99.200 -91.000 HIS 97 0.900 65.330 27.557 44.380 -99.200 -91.000 PHE 98 1.000 60.333 36.461 42.684 -99.200 -91.000 TYR 100 0.840 59.037 31.417 39.015 -99.200 -91.000 PHE 102 1.000 62.656 31.109 29.941 -99.200 -91.000 PHE 122 1.000 67.590 38.239 -8.811 -99.200 -91.000 PHE 139 1.000 67.772 36.988 -3.407 -99.200 -91.000 PHE 143 1.000 75.375 29.208 1.876 -99.200 -91.000 TYR 144 0.840 76.147 21.403 6.086 -99.200 -91.000 TRP 152 1.040 78.259 42.759 -3.728 -99.200 -91.000 TRP6 152 1.020 76.582 42.606 -5.394 -99.200 -91.000 TRP 167 1.040 75.048 35.416 6.442 -99.200 -91.000 TRP6 167 1.020 75.567 37.572 7.292 -99.200 -91.000 TYR 177 0.840 73.389 26.665 7.678 -99.200 -91.000 TYR 190 0.840 72.659 50.257 -12.063 -99.200 -91.000 HIS 193 0.900 81.434 52.870 -12.333 -99.200 -91.000 TYR 196 0.840 76.836 47.780 -11.763 -99.200 -91.000 HIS 202 0.900 79.868 26.243 0.343 -99.200 -91.000 PHE 213 1.000 73.457 43.742 -13.285 -99.200 -91.000