============================================================================= 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 3 0.840 26.942 42.065 36.595 -99.200 -91.000 PHE 4 1.000 23.727 46.319 41.327 -99.200 -91.000 HIS 7 0.900 29.356 45.735 48.781 -99.200 -91.000 TYR 8 0.840 25.918 51.973 40.845 -99.200 -91.000 TYR 36 0.840 15.400 55.883 37.794 -99.200 -91.000 TYR 39 0.840 21.804 59.071 43.051 -99.200 -91.000 HIS 59 0.900 5.775 64.565 49.043 -99.200 -91.000 TRP 70 1.040 0.738 65.125 37.170 -99.200 -91.000 TRP6 70 1.020 -1.511 64.892 36.435 -99.200 -91.000 PHE 71 1.000 2.936 63.795 29.761 -99.200 -91.000 TYR 94 0.840 9.639 65.752 28.559 -99.200 -91.000 HIS 102 0.900 7.441 49.678 29.707 -99.200 -91.000 TRP 120 1.040 -4.888 34.157 32.114 -99.200 -91.000 TRP6 120 1.020 -3.553 32.493 33.140 -99.200 -91.000 PHE 131 1.000 3.191 45.178 21.012 -99.200 -91.000 PHE 150 1.000 10.167 45.495 28.682 -99.200 -91.000 TRP 163 1.040 3.441 32.733 43.062 -99.200 -91.000 TRP6 163 1.020 3.401 35.017 43.652 -99.200 -91.000 TYR 166 0.840 3.237 39.064 39.180 -99.200 -91.000 PHE 171 1.000 8.331 31.327 33.046 -99.200 -91.000 TYR 182 0.840 14.886 48.278 18.953 -99.200 -91.000 PHE 204 1.000 4.658 35.840 49.542 -99.200 -91.000 TYR 221 0.840 14.072 49.269 40.458 -99.200 -91.000 TRP 223 1.040 25.140 48.964 37.298 -99.200 -91.000 TRP6 223 1.020 24.457 47.092 36.034 -99.200 -91.000 PHE 235 1.000 21.248 42.998 34.901 -99.200 -91.000