============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 3 0.840 110.396 22.483 36.152 -99.200 -91.000 PHE 19 1.000 126.534 14.265 30.223 -99.200 -91.000 TRP 38 1.040 102.731 11.449 21.470 -99.200 -91.000 TRP6 38 1.020 100.640 11.449 20.367 -99.200 -91.000 HIS 42 0.900 103.103 18.654 5.420 -99.200 -91.000 HIS 44 0.900 101.519 9.737 11.923 -99.200 -91.000 TRP 48 1.040 110.332 10.376 15.179 -99.200 -91.000 TRP6 48 1.020 108.983 12.298 14.847 -99.200 -91.000 TYR 53 0.840 125.956 3.726 19.093 -99.200 -91.000 PHE 69 1.000 138.240 11.998 14.639 -99.200 -91.000 PHE 85 1.000 131.819 10.347 21.526 -99.200 -91.000 TYR 95 0.840 119.078 6.426 11.530 -99.200 -91.000 TYR 108 0.840 118.101 19.376 9.837 -99.200 -91.000 PHE 114 1.000 112.672 12.175 18.300 -99.200 -91.000 PHE 117 1.000 115.947 12.274 24.984 -99.200 -91.000 TRP 122 1.040 115.906 21.148 32.964 -99.200 -91.000 TRP6 122 1.020 118.241 21.447 33.192 -99.200 -91.000 TRP 130 1.040 120.982 18.713 18.334 -99.200 -91.000 TRP6 130 1.020 118.782 19.527 18.082 -99.200 -91.000 TYR 137 0.840 126.637 17.710 8.252 -99.200 -91.000 PHE 141 1.000 129.821 8.874 13.512 -99.200 -91.000 HIS 158 0.900 127.795 13.024 22.720 -99.200 -91.000 TYR 161 0.840 120.182 10.616 35.986 -99.200 -91.000 PHE 162 1.000 122.068 18.352 35.107 -99.200 -91.000