============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 3 1.000 17.169 20.086 -14.357 -99.200 -91.000 TYR 12 0.840 9.761 17.839 -7.081 -99.200 -91.000 PHE 13 1.000 11.870 22.616 -12.249 -99.200 -91.000 TRP 16 1.040 5.453 26.536 -5.716 -99.200 -91.000 TRP6 16 1.020 5.572 26.430 -3.352 -99.200 -91.000 PHE 24 1.000 14.523 30.691 -2.083 -99.200 -91.000 HIS 26 0.900 18.675 20.398 -0.921 -99.200 -91.000 TRP 28 1.040 24.547 15.997 4.031 -99.200 -91.000 TRP6 28 1.020 24.545 15.379 6.320 -99.200 -91.000 TRP 35 1.040 15.499 26.403 -0.123 -99.200 -91.000 TRP6 35 1.020 16.764 27.991 1.080 -99.200 -91.000 TYR 37 0.840 7.010 27.077 6.868 -99.200 -91.000 TYR 41 0.840 7.850 37.429 3.798 -99.200 -91.000 TYR 47 0.840 10.555 39.721 -5.409 -99.200 -91.000 PHE 52 1.000 18.917 22.842 -6.782 -99.200 -91.000 PHE 57 1.000 21.204 14.967 -0.713 -99.200 -91.000 TRP 64 1.040 28.809 4.720 -7.845 -99.200 -91.000 TRP6 64 1.020 28.595 3.951 -5.610 -99.200 -91.000 TYR 69 0.840 29.863 21.789 -3.236 -99.200 -91.000 PHE 72 1.000 26.431 18.135 -5.639 -99.200 -91.000 HIS 82 0.900 13.554 22.666 -18.444 -99.200 -91.000 PHE 93 1.000 20.837 26.042 5.806 -99.200 -91.000 TYR 103 0.840 24.932 29.519 -12.644 -99.200 -91.000 HIS 107 0.900 27.838 26.811 -16.202 -99.200 -91.000 PHE 125 1.000 31.818 22.669 7.165 -99.200 -91.000 TYR 131 0.840 40.228 28.874 6.075 -99.200 -91.000 PHE 140 1.000 34.018 18.369 7.710 -99.200 -91.000 PHE 143 1.000 30.429 15.120 11.804 -99.200 -91.000 PHE 154 1.000 25.769 11.877 11.562 -99.200 -91.000 PHE 158 1.000 23.145 17.639 10.982 -99.200 -91.000 PHE 162 1.000 19.716 21.811 10.286 -99.200 -91.000 TYR 163 0.840 15.935 22.201 13.000 -99.200 -91.000 PHE 198 1.000 29.051 18.779 3.972 -99.200 -91.000 PHE 203 1.000 32.625 25.606 -2.372 -99.200 -91.000 HIS 218 0.900 27.485 31.243 8.858 -99.200 -91.000 PHE 227 1.000 30.131 35.255 11.932 -99.200 -91.000 TYR 246 0.840 19.334 36.521 10.765 -99.200 -91.000 HIS 251 0.900 24.011 24.926 9.313 -99.200 -91.000 PHE 253 1.000 20.250 31.594 9.133 -99.200 -91.000 HIS 257 0.900 17.070 33.298 14.715 -99.200 -91.000 PHE 268 1.000 20.647 40.760 -1.950 -99.200 -91.000