============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 17 1.000 14.999 22.410 24.833 -99.200 -91.000 TRP 20 1.040 19.296 25.442 21.757 -99.200 -91.000 TRP6 20 1.020 17.138 26.219 22.239 -99.200 -91.000 TYR 65 0.840 -4.938 27.710 26.782 -99.200 -91.000 TRP 79 1.040 8.265 13.256 19.447 -99.200 -91.000 TRP6 79 1.020 5.975 13.808 19.372 -99.200 -91.000 TYR 83 0.840 11.452 2.908 25.613 -99.200 -91.000 TYR 96 0.840 7.559 -2.679 42.928 -99.200 -91.000 PHE 98 1.000 8.401 6.975 36.384 -99.200 -91.000 TYR 110 0.840 -3.958 3.401 25.613 -99.200 -91.000 TYR 111 0.840 2.011 -2.238 26.936 -99.200 -91.000 TYR 119 0.840 2.102 -7.916 33.375 -99.200 -91.000 TYR 123 0.840 0.237 3.101 41.413 -99.200 -91.000 PHE 125 1.000 10.634 1.178 45.690 -99.200 -91.000 PHE 149 1.000 15.953 8.354 36.751 -99.200 -91.000 HIS 168 0.900 5.092 3.942 19.606 -99.200 -91.000 PHE 177 1.000 0.300 7.608 24.057 -99.200 -91.000 TYR 184 0.840 4.800 30.390 22.411 -99.200 -91.000 TYR 190 0.840 12.560 37.237 20.539 -99.200 -91.000 PHE 194 1.000 10.466 29.143 21.021 -99.200 -91.000 TYR 208 0.840 27.388 14.963 14.058 -99.200 -91.000 HIS 214 0.900 33.424 14.682 25.868 -99.200 -91.000 HIS 219 0.900 28.046 22.295 29.224 -99.200 -91.000 PHE 222 1.000 21.086 13.390 31.648 -99.200 -91.000 TYR 238 0.840 11.411 15.251 13.590 -99.200 -91.000 TYR 239 0.840 9.680 21.935 18.129 -99.200 -91.000 PHE 251 1.000 -0.284 12.693 26.947 -99.200 -91.000 TYR 258 0.840 -6.906 5.314 31.548 -99.200 -91.000 PHE 272 1.000 -2.053 23.546 25.232 -99.200 -91.000