============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 3 1.000 2.750 99.160 -17.837 -99.200 -91.000 TYR 5 0.840 1.043 105.677 -14.961 -99.200 -91.000 PHE 6 1.000 -6.402 106.115 -11.525 -99.200 -91.000 TYR 8 0.840 -2.043 109.357 -7.925 -99.200 -91.000 HIS 18 0.900 2.450 110.985 -25.529 -99.200 -91.000 PHE 26 1.000 -7.889 108.963 -22.903 -99.200 -91.000 PHE 27 1.000 -7.673 100.749 -22.061 -99.200 -91.000 PHE 35 1.000 -6.835 103.853 -2.936 -99.200 -91.000 PHE 39 1.000 -1.546 117.639 -4.854 -99.200 -91.000 TRP 50 1.040 6.914 118.146 -10.580 -99.200 -91.000 TRP6 50 1.020 5.984 119.324 -12.430 -99.200 -91.000 HIS 51 0.900 11.977 123.859 -7.689 -99.200 -91.000 PHE 58 1.000 -5.043 109.986 2.683 -99.200 -91.000 TRP 66 1.040 -13.478 111.234 -10.831 -99.200 -91.000 TRP6 66 1.020 -14.604 109.969 -12.502 -99.200 -91.000 TRP 70 1.040 -1.772 108.251 -19.345 -99.200 -91.000 TRP6 70 1.020 -1.989 109.500 -21.364 -99.200 -91.000 TYR 89 0.840 5.174 108.826 -5.960 -99.200 -91.000 TYR 109 0.840 4.427 103.631 -10.307 -99.200 -91.000 TYR 113 0.840 2.069 111.572 2.247 -99.200 -91.000 TYR 122 0.840 2.850 117.875 -9.078 -99.200 -91.000 TYR 138 0.840 -10.447 114.595 -9.313 -99.200 -91.000 TYR 150 0.840 9.649 127.487 -6.818 -99.200 -91.000