============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 10 1.000 11.696 3.042 -38.448 -99.200 -91.000 TYR 13 0.840 11.729 11.145 -33.889 -99.200 -91.000 TYR 20 0.840 20.170 1.559 -37.391 -99.200 -91.000 PHE 30 1.000 14.153 8.254 -25.463 -99.200 -91.000 TRP 47 1.040 11.177 -5.388 -19.585 -99.200 -91.000 TRP6 47 1.020 9.419 -4.766 -18.124 -99.200 -91.000 PHE 56 1.000 13.532 1.694 -28.978 -99.200 -91.000 PHE 61 1.000 9.252 3.999 -33.209 -99.200 -91.000 PHE 93 1.000 13.641 -2.486 -10.356 -99.200 -91.000 PHE 96 1.000 13.724 -1.615 -16.194 -99.200 -91.000 TYR 97 0.840 19.006 -5.750 -11.678 -99.200 -91.000 PHE 99 1.000 15.374 -5.165 -22.046 -99.200 -91.000 PHE 101 1.000 24.477 -9.354 -18.051 -99.200 -91.000 TYR 103 0.840 18.764 -1.679 -24.311 -99.200 -91.000 TRP 120 1.040 24.304 -2.901 -10.683 -99.200 -91.000 TRP6 120 1.020 26.466 -3.823 -10.688 -99.200 -91.000 PHE 128 1.000 22.706 -2.711 -3.053 -99.200 -91.000 TRP 134 1.040 27.560 -3.044 -6.031 -99.200 -91.000 TRP6 134 1.020 28.418 -5.242 -5.765 -99.200 -91.000 PHE 137 1.000 33.607 -5.276 -3.229 -99.200 -91.000 HIS 143 0.900 39.059 -8.572 -12.974 -99.200 -91.000 TRP 150 1.040 22.073 -7.093 -14.161 -99.200 -91.000 TRP6 150 1.020 22.891 -4.881 -14.279 -99.200 -91.000 TYR 154 0.840 15.676 -7.003 -7.657 -99.200 -91.000 PHE 156 1.000 24.284 -8.167 -0.582 -99.200 -91.000 TYR 165 0.840 26.279 -13.274 1.848 -99.200 -91.000 TRP 168 1.040 24.497 -15.272 -1.350 -99.200 -91.000 TRP6 168 1.020 22.901 -13.784 -2.240 -99.200 -91.000 PHE 175 1.000 29.062 -4.641 -0.682 -99.200 -91.000 TRP 178 1.040 35.605 -3.384 0.897 -99.200 -91.000 TRP6 178 1.020 33.979 -1.701 1.039 -99.200 -91.000 HIS 181 0.900 39.072 -2.480 8.240 -99.200 -91.000