============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 7 0.840 -36.693 26.902 76.495 -99.200 -91.000 HIS 15 0.900 -26.715 15.616 57.860 -99.200 -91.000 PHE 24 1.000 -50.686 8.713 45.590 -99.200 -91.000 PHE 28 1.000 -45.699 17.459 56.147 -99.200 -91.000 PHE 36 1.000 -38.791 14.032 65.973 -99.200 -91.000 TYR 41 0.840 -29.050 23.923 73.565 -99.200 -91.000 HIS 61 0.900 -53.002 21.060 55.684 -99.200 -91.000 PHE 70 1.000 -46.218 15.975 61.632 -99.200 -91.000 TYR 74 0.840 -40.988 13.367 70.495 -99.200 -91.000 PHE 76 1.000 -38.489 14.653 74.805 -99.200 -91.000 TYR 77 0.840 -31.893 8.963 73.484 -99.200 -91.000 PHE 78 1.000 -33.148 14.693 79.770 -99.200 -91.000 TYR 81 0.840 -27.380 13.772 84.768 -99.200 -91.000 HIS 83 0.900 -34.395 6.003 77.061 -99.200 -91.000 TYR 90 0.840 -44.394 17.618 67.022 -99.200 -91.000 TYR 93 0.840 -53.542 22.321 64.937 -99.200 -91.000 PHE 97 1.000 -50.952 18.829 79.149 -99.200 -91.000 PHE 107 1.000 -34.461 11.401 83.231 -99.200 -91.000 TYR 111 0.840 -46.329 6.839 87.619 -99.200 -91.000 TYR 121 0.840 -44.027 22.957 63.029 -99.200 -91.000 PHE 126 1.000 -40.605 25.553 78.613 -99.200 -91.000 TYR 127 0.840 -40.949 18.757 74.038 -99.200 -91.000 PHE 129 1.000 -40.227 15.240 79.365 -99.200 -91.000 TYR 130 0.840 -46.688 19.196 84.226 -99.200 -91.000 TYR 171 0.840 -21.982 17.508 74.022 -99.200 -91.000