============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 2 1.000 129.584 39.389 -70.780 -99.200 -91.000 PHE 5 1.000 137.520 37.824 -76.342 -99.200 -91.000 TYR 28 0.840 129.267 63.975 -70.847 -99.200 -91.000 TYR 44 0.840 137.968 79.938 -64.285 -99.200 -91.000 TYR 48 0.840 137.474 88.271 -62.805 -99.200 -91.000 TYR 50 0.840 132.929 83.972 -53.020 -99.200 -91.000 HIS 51 0.900 141.656 86.878 -57.004 -99.200 -91.000 PHE 54 1.000 142.797 89.756 -51.838 -99.200 -91.000 TYR 56 0.840 135.089 97.568 -50.409 -99.200 -91.000 PHE 57 1.000 134.913 93.430 -47.429 -99.200 -91.000 PHE 70 1.000 134.538 83.502 -46.335 -99.200 -91.000 PHE 71 1.000 134.194 87.942 -48.926 -99.200 -91.000 HIS 81 0.900 134.093 74.425 -55.043 -99.200 -91.000 TYR 88 0.840 131.825 64.142 -64.704 -99.200 -91.000 PHE 108 1.000 132.089 93.755 -53.637 -99.200 -91.000 HIS 110 0.900 123.671 98.615 -47.819 -99.200 -91.000 HIS 118 0.900 126.064 95.151 -50.085 -99.200 -91.000 HIS 138 0.900 120.614 65.459 -59.543 -99.200 -91.000 PHE 152 1.000 131.744 65.467 -60.981 -99.200 -91.000 TYR 157 0.840 131.131 70.242 -58.085 -99.200 -91.000 TYR 171 0.840 131.683 82.957 -41.852 -99.200 -91.000 HIS 182 0.900 134.979 96.647 -29.559 -99.200 -91.000 TRP 185 1.040 139.230 95.532 -35.566 -99.200 -91.000 TRP6 185 1.020 139.842 94.692 -33.448 -99.200 -91.000 HIS 186 0.900 135.612 90.422 -30.468 -99.200 -91.000 PHE 187 1.000 132.099 87.636 -38.611 -99.200 -91.000 HIS 193 0.900 143.805 85.772 -35.435 -99.200 -91.000