============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. PHE 11 1.000 -1.640 -1.576 7.466 -99.200 -91.000 HIS 14 0.900 -3.990 -6.745 9.486 -99.200 -91.000 PHE 15 1.000 -2.712 -4.260 2.288 -99.200 -91.000 TYR 24 0.840 -10.190 -16.816 3.194 -99.200 -91.000 TYR 30 0.840 -16.445 -4.216 1.613 -99.200 -91.000 TYR 56 0.840 -27.928 7.765 -6.774 -99.200 -91.000 TYR 62 0.840 -28.946 3.325 8.725 -99.200 -91.000 TYR 74 0.840 -35.242 13.441 3.814 -99.200 -91.000 TYR 79 0.840 -26.007 15.838 12.636 -99.200 -91.000 PHE 85 1.000 -15.538 17.531 16.064 -99.200 -91.000 TYR 89 0.840 -15.377 13.561 9.207 -99.200 -91.000 PHE 103 1.000 -24.609 21.421 0.110 -99.200 -91.000 TRP 104 1.040 -25.687 26.354 -1.391 -99.200 -91.000 TRP6 104 1.020 -23.407 26.408 -0.718 -99.200 -91.000 TRP 108 1.040 -27.397 30.803 7.948 -99.200 -91.000 TRP6 108 1.020 -25.770 32.462 7.489 -99.200 -91.000 HIS 113 0.900 -17.198 28.447 9.465 -99.200 -91.000 HIS 131 0.900 -21.485 24.644 -11.115 -99.200 -91.000 TYR 132 0.840 -22.924 21.879 -4.362 -99.200 -91.000 TRP 133 1.040 -19.607 25.755 -7.645 -99.200 -91.000 TRP6 133 1.020 -19.708 23.385 -7.753 -99.200 -91.000 TYR 141 0.840 -31.193 36.818 -3.632 -99.200 -91.000 TYR 142 0.840 -27.330 28.820 -4.681 -99.200 -91.000 TRP 158 1.040 -6.289 19.533 -4.623 -99.200 -91.000 TRP6 158 1.020 -4.789 17.708 -4.418 -99.200 -91.000 PHE 163 1.000 -18.343 28.628 -3.391 -99.200 -91.000 HIS 168 0.900 -20.784 40.177 5.885 -99.200 -91.000 HIS 173 0.900 -17.072 22.902 -3.434 -99.200 -91.000 PHE 174 1.000 -10.798 22.541 1.314 -99.200 -91.000 HIS 175 0.900 -15.325 19.365 -7.870 -99.200 -91.000 TYR 176 0.840 -8.971 13.369 -5.549 -99.200 -91.000 TRP 179 1.040 -12.484 8.102 -5.387 -99.200 -91.000 TRP6 179 1.020 -12.219 8.719 -3.132 -99.200 -91.000 HIS 182 0.900 -20.771 2.287 -7.338 -99.200 -91.000 PHE 194 1.000 -9.374 16.644 -1.720 -99.200 -91.000 TYR 201 0.840 -6.909 25.256 3.349 -99.200 -91.000 HIS 214 0.900 -21.218 16.933 -2.496 -99.200 -91.000 PHE 225 1.000 -12.065 13.660 2.672 -99.200 -91.000 TYR 244 0.840 -14.079 -4.851 11.470 -99.200 -91.000 HIS 248 0.900 -18.741 -1.582 14.120 -99.200 -91.000 HIS 253 0.900 -22.656 6.935 13.782 -99.200 -91.000 HIS 256 0.900 -25.557 0.238 0.754 -99.200 -91.000 TYR 264 0.840 -12.028 -3.048 4.717 -99.200 -91.000 TYR 266 0.840 -7.083 4.525 -2.745 -99.200 -91.000 HIS 268 0.900 -7.054 -2.707 4.963 -99.200 -91.000