============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 5 0.840 116.640 50.419 19.693 -99.200 -91.000 TYR 7 0.840 114.854 59.729 20.152 -99.200 -91.000 PHE 18 1.000 97.258 50.622 10.029 -99.200 -91.000 PHE 38 1.000 108.214 27.112 -25.179 -99.200 -91.000 TRP 70 1.040 96.490 32.075 -21.515 -99.200 -91.000 TRP6 70 1.020 97.500 31.290 -23.489 -99.200 -91.000 PHE 81 1.000 109.792 32.813 -27.289 -99.200 -91.000 TYR 97 0.840 113.447 34.770 -45.604 -99.200 -91.000 PHE 114 1.000 91.334 35.634 -28.293 -99.200 -91.000 PHE 128 1.000 112.498 30.195 -37.688 -99.200 -91.000 HIS 131 0.900 123.617 26.420 -37.726 -99.200 -91.000 TYR 142 0.840 132.078 34.904 -35.201 -99.200 -91.000 HIS 159 0.900 108.244 37.601 -36.880 -99.200 -91.000 HIS 189 0.900 105.210 46.966 -41.856 -99.200 -91.000 TYR 197 0.840 114.530 38.500 -26.197 -99.200 -91.000 TYR 201 0.840 124.129 39.045 -18.517 -99.200 -91.000 TYR 205 0.840 120.087 30.130 -13.659 -99.200 -91.000 TYR 206 0.840 119.498 31.581 -21.910 -99.200 -91.000 PHE 209 1.000 113.425 28.934 -25.944 -99.200 -91.000 TYR 220 0.840 125.507 33.636 -30.410 -99.200 -91.000 HIS 232 0.900 129.534 50.908 -22.128 -99.200 -91.000 TYR 253 0.840 122.221 36.964 -15.452 -99.200 -91.000 PHE 264 1.000 120.861 53.098 -20.404 -99.200 -91.000 PHE 269 1.000 108.579 45.578 -21.096 -99.200 -91.000 TYR 271 0.840 111.679 34.818 -21.810 -99.200 -91.000 TYR 277 0.840 107.126 26.748 -15.318 -99.200 -91.000 HIS 280 0.900 111.472 30.018 -8.815 -99.200 -91.000 TRP 288 1.040 112.105 19.162 -1.909 -99.200 -91.000 TRP6 288 1.020 113.777 18.901 -3.521 -99.200 -91.000 PHE 301 1.000 111.736 38.564 -12.424 -99.200 -91.000 TYR 312 0.840 108.357 29.976 -20.290 -99.200 -91.000 PHE 313 1.000 106.148 29.765 -12.123 -99.200 -91.000