============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 36 0.840 25.536 -46.423 75.340 -99.200 -91.000 TRP 39 1.040 22.850 -32.902 73.026 -99.200 -91.000 TRP6 39 1.020 21.019 -31.676 73.874 -99.200 -91.000 TYR 40 0.840 19.892 -37.736 66.722 -99.200 -91.000 TYR 53 0.840 29.412 -40.126 68.090 -99.200 -91.000 TRP 54 1.040 29.414 -43.206 72.595 -99.200 -91.000 TRP6 54 1.020 31.327 -43.755 71.324 -99.200 -91.000 PHE 66 1.000 26.140 -26.717 65.837 -99.200 -91.000 PHE 75 1.000 23.408 -36.597 79.759 -99.200 -91.000 TYR 90 0.840 19.991 -26.949 67.525 -99.200 -91.000 TYR 91 0.840 13.239 -32.676 68.158 -99.200 -91.000 PHE 101 1.000 14.614 -39.248 68.657 -99.200 -91.000 PHE 121 1.000 0.364 -9.972 46.110 -99.200 -91.000 PHE 138 1.000 4.796 -12.020 51.185 -99.200 -91.000 PHE 142 1.000 7.092 -9.767 59.493 -99.200 -91.000 TYR 143 0.840 13.806 -10.545 65.050 -99.200 -91.000 TRP 151 1.040 -7.224 -8.031 56.273 -99.200 -91.000 TRP6 151 1.020 -6.800 -7.821 53.961 -99.200 -91.000 TRP 166 1.040 4.133 -14.638 61.191 -99.200 -91.000 TRP6 166 1.020 1.936 -14.601 62.050 -99.200 -91.000 TYR 176 0.840 10.559 -14.804 62.269 -99.200 -91.000 TYR 189 0.840 -13.402 -8.269 45.472 -99.200 -91.000 HIS 192 0.900 -18.969 -3.626 51.529 -99.200 -91.000 TYR 195 0.840 -12.520 -5.187 49.185 -99.200 -91.000 HIS 201 0.900 7.771 -5.417 62.967 -99.200 -91.000 PHE 212 1.000 -7.968 -4.415 46.212 -99.200 -91.000