============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TRP 4 1.040 -10.040 32.838 14.224 -99.200 -91.000 TRP6 4 1.020 -9.070 31.577 12.471 -99.200 -91.000 TYR 7 0.840 -9.036 34.369 7.565 -99.200 -91.000 PHE 12 1.000 -18.432 42.079 10.190 -99.200 -91.000 PHE 15 1.000 -20.779 41.328 1.972 -99.200 -91.000 TRP 24 1.040 -29.385 35.728 21.542 -99.200 -91.000 TRP6 24 1.020 -28.407 33.779 22.472 -99.200 -91.000 TRP 27 1.040 -24.156 33.828 27.733 -99.200 -91.000 TRP6 27 1.020 -24.890 31.953 26.488 -99.200 -91.000 HIS 46 0.900 -28.504 45.246 -0.931 -99.200 -91.000 PHE 47 1.000 -25.727 40.453 3.635 -99.200 -91.000 HIS 54 0.900 -13.773 36.010 18.554 -99.200 -91.000 TYR 63 0.840 -15.846 35.827 13.388 -99.200 -91.000 TYR 68 0.840 -28.742 32.615 8.484 -99.200 -91.000 PHE 78 1.000 -18.382 33.726 2.857 -99.200 -91.000 PHE 83 1.000 -11.597 22.888 17.614 -99.200 -91.000 PHE 92 1.000 -12.811 30.641 3.161 -99.200 -91.000 PHE 94 1.000 -19.635 31.735 -2.123 -99.200 -91.000 HIS 96 0.900 -29.200 27.746 -2.880 -99.200 -91.000 TYR 101 0.840 -28.802 24.919 -6.721 -99.200 -91.000 PHE 103 1.000 -23.820 29.220 -5.275 -99.200 -91.000 TYR 115 0.840 -13.309 18.448 3.835 -99.200 -91.000 PHE 117 1.000 -18.481 16.519 13.279 -99.200 -91.000 PHE 118 1.000 -21.815 20.432 9.466 -99.200 -91.000 HIS 122 0.900 -29.143 22.876 3.261 -99.200 -91.000 PHE 123 1.000 -21.307 22.615 4.888 -99.200 -91.000 PHE 128 1.000 -9.846 27.561 1.190 -99.200 -91.000 TYR 131 0.840 -8.130 19.654 8.052 -99.200 -91.000 TYR 140 0.840 -4.869 28.182 3.686 -99.200 -91.000 PHE 144 1.000 -13.044 35.309 4.871 -99.200 -91.000 TYR 147 0.840 -14.224 30.697 -1.565 -99.200 -91.000 TYR 151 0.840 -22.811 36.149 0.230 -99.200 -91.000 TYR 167 0.840 -32.055 32.220 4.463 -99.200 -91.000 PHE 170 1.000 -27.659 27.059 6.466 -99.200 -91.000 TYR 173 0.840 -27.130 19.902 6.336 -99.200 -91.000 TYR 182 0.840 -15.933 24.459 22.622 -99.200 -91.000 PHE 186 1.000 -19.682 29.527 27.503 -99.200 -91.000 PHE 194 1.000 -23.562 29.710 20.613 -99.200 -91.000 PHE 198 1.000 -25.818 34.390 17.981 -99.200 -91.000 PHE 200 1.000 -26.524 26.388 13.186 -99.200 -91.000 TYR 202 0.840 -33.568 33.443 10.202 -99.200 -91.000