============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TYR 27 0.840 117.694 -73.612 72.589 -99.200 -91.000 PHE 29 1.000 118.118 -75.066 79.524 -99.200 -91.000 TYR 32 0.840 121.079 -69.966 71.827 -99.200 -91.000 TRP 33 1.040 122.888 -64.918 78.914 -99.200 -91.000 TRP6 33 1.020 122.885 -64.135 81.144 -99.200 -91.000 HIS 35 0.900 117.207 -62.376 78.515 -99.200 -91.000 TRP 36 1.040 111.963 -66.788 82.582 -99.200 -91.000 TRP6 36 1.020 110.228 -68.385 82.431 -99.200 -91.000 TRP 47 1.040 114.568 -58.597 80.502 -99.200 -91.000 TRP6 47 1.020 116.174 -57.868 82.075 -99.200 -91.000 TYR 52 0.840 125.435 -68.773 79.625 -99.200 -91.000 TYR 60 0.840 116.703 -62.337 89.178 -99.200 -91.000 PHE 64 1.000 108.869 -57.989 87.012 -99.200 -91.000 TYR 80 0.840 111.465 -75.835 86.223 -99.200 -91.000 TYR 93 0.840 103.895 -63.578 84.410 -99.200 -91.000 TYR 94 0.840 104.096 -63.878 75.465 -99.200 -91.000 TRP 98 1.040 120.819 -61.637 74.269 -99.200 -91.000 TRP6 98 1.020 119.597 -59.835 73.345 -99.200 -91.000 HIS 100 0.900 127.746 -68.539 73.394 -99.200 -91.000 TYR 101 0.840 130.717 -60.555 72.497 -99.200 -91.000 TYR 102 0.840 132.590 -67.891 69.534 -99.200 -91.000 TYR 106 0.840 125.446 -61.216 70.391 -99.200 -91.000 PHE 107 1.000 114.997 -60.914 74.363 -99.200 -91.000 TYR 109 0.840 113.890 -69.861 66.941 -99.200 -91.000 TRP 110 1.040 110.007 -63.862 71.574 -99.200 -91.000 TRP6 110 1.020 109.501 -62.304 73.281 -99.200 -91.000 TYR 129 0.840 70.667 -64.279 83.557 -99.200 -91.000 TYR 152 0.840 82.357 -66.693 82.450 -99.200 -91.000 PHE 153 1.000 88.035 -67.512 88.763 -99.200 -91.000 TRP 161 1.040 74.913 -66.682 68.706 -99.200 -91.000 TRP6 161 1.020 72.968 -66.114 69.925 -99.200 -91.000 HIS 171 0.900 79.991 -58.083 65.596 -99.200 -91.000 PHE 173 1.000 80.285 -57.130 71.704 -99.200 -91.000 TYR 182 0.840 87.057 -63.721 84.262 -99.200 -91.000 TRP 195 1.040 64.016 -64.801 66.380 -99.200 -91.000 TRP6 195 1.020 62.970 -63.121 67.674 -99.200 -91.000 HIS 206 0.900 82.949 -72.094 83.630 -99.200 -91.000