============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 27 1.000 166.640 142.609 4.056 -99.200 -91.000 PHE 29 1.000 162.020 142.827 8.201 -99.200 -91.000 TYR 32 0.840 163.990 143.601 -0.279 -99.200 -91.000 TRP 36 1.040 159.336 132.194 9.713 -99.200 -91.000 TRP6 36 1.020 161.297 131.974 11.033 -99.200 -91.000 TRP 47 1.040 156.428 128.748 1.806 -99.200 -91.000 TRP6 47 1.020 154.078 128.522 1.559 -99.200 -91.000 TYR 57 0.840 147.484 138.395 -1.345 -99.200 -91.000 HIS 59 0.900 149.613 133.659 -0.379 -99.200 -91.000 TYR 60 0.840 149.796 131.022 7.484 -99.200 -91.000 PHE 68 1.000 154.018 125.710 12.601 -99.200 -91.000 TYR 80 0.840 158.631 138.942 16.030 -99.200 -91.000 TYR 94 0.840 160.514 125.160 12.053 -99.200 -91.000 TYR 95 0.840 167.939 126.519 6.887 -99.200 -91.000 HIS 99 0.900 159.672 134.732 -0.805 -99.200 -91.000 PHE 101 1.000 164.342 142.404 -7.242 -99.200 -91.000 TYR 102 0.840 155.426 143.468 -1.717 -99.200 -91.000 TYR 104 0.840 151.330 145.795 -5.074 -99.200 -91.000 TYR 109 0.840 155.429 133.570 -11.820 -99.200 -91.000 TYR 110 0.840 157.408 137.299 -4.486 -99.200 -91.000 HIS 114 0.900 170.692 137.688 0.125 -99.200 -91.000 TRP 115 1.040 167.840 130.122 1.348 -99.200 -91.000 TRP6 115 1.020 166.504 128.333 1.994 -99.200 -91.000 TYR 134 0.840 180.907 107.115 30.810 -99.200 -91.000 TYR 157 0.840 173.954 114.205 23.862 -99.200 -91.000 PHE 158 1.000 165.700 114.559 23.881 -99.200 -91.000 TRP 166 1.040 188.930 116.135 20.735 -99.200 -91.000 TRP6 166 1.020 189.433 114.468 22.323 -99.200 -91.000 HIS 176 0.900 188.352 111.578 11.601 -99.200 -91.000 PHE 178 1.000 183.313 108.967 14.491 -99.200 -91.000 TYR 187 0.840 169.770 113.023 20.255 -99.200 -91.000 HIS 211 0.900 172.939 118.556 27.127 -99.200 -91.000