============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TYR 8 0.840 107.780 92.026 -43.085 -99.200 -91.000 TYR 12 0.840 99.377 93.983 -48.563 -99.200 -91.000 PHE 14 1.000 99.039 90.794 -39.343 -99.200 -91.000 PHE 18 1.000 96.480 91.092 -28.228 -99.200 -91.000 HIS 20 0.900 92.483 98.636 -24.183 -99.200 -91.000 TYR 31 0.840 98.129 92.548 -25.059 -99.200 -91.000 PHE 39 1.000 98.909 87.571 -17.778 -99.200 -91.000 TRP 51 1.040 93.612 96.837 -35.172 -99.200 -91.000 TRP6 51 1.020 92.013 98.539 -35.504 -99.200 -91.000 TYR 68 0.840 107.243 74.733 -24.898 -99.200 -91.000 HIS 73 0.900 112.608 74.272 -21.901 -99.200 -91.000 HIS 83 0.900 93.120 65.117 -18.614 -99.200 -91.000 HIS 84 0.900 93.797 69.511 -20.493 -99.200 -91.000 HIS 98 0.900 96.977 71.121 -34.521 -99.200 -91.000 TYR 110 0.840 92.393 73.471 -36.335 -99.200 -91.000 PHE 117 1.000 108.191 65.534 -37.523 -99.200 -91.000 HIS 119 0.900 100.635 70.019 -32.996 -99.200 -91.000 HIS 138 0.900 85.779 85.984 -31.965 -99.200 -91.000 TYR 139 0.840 93.842 82.850 -32.995 -99.200 -91.000 TYR 141 0.840 96.076 80.580 -26.792 -99.200 -91.000 TYR 144 0.840 93.943 75.121 -16.739 -99.200 -91.000 PHE 175 1.000 98.980 86.652 -28.841 -99.200 -91.000