============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. TYR 3 0.840 123.659 -18.924 -0.334 -99.200 -91.000 PHE 18 1.000 86.475 -20.002 -7.668 -99.200 -91.000 PHE 29 1.000 96.738 -17.748 5.228 -99.200 -91.000 PHE 30 1.000 103.625 -13.946 3.454 -99.200 -91.000 TYR 33 0.840 103.250 -16.185 17.729 -99.200 -91.000 HIS 35 0.900 107.717 -19.593 19.023 -99.200 -91.000 PHE 38 1.000 111.890 -23.664 10.222 -99.200 -91.000 PHE 45 1.000 123.853 -21.733 7.054 -99.200 -91.000 TYR 47 0.840 117.784 -24.974 2.145 -99.200 -91.000 TYR 55 0.840 100.962 -22.605 -2.564 -99.200 -91.000 TYR 56 0.840 97.400 -26.174 4.552 -99.200 -91.000 PHE 65 1.000 106.879 -29.316 2.973 -99.200 -91.000 TYR 69 0.840 116.922 -25.525 -2.781 -99.200 -91.000 PHE 77 1.000 133.603 -26.609 -4.717 -99.200 -91.000 PHE 97 1.000 104.088 -34.019 2.174 -99.200 -91.000 PHE 104 1.000 96.601 -27.318 -3.813 -99.200 -91.000 PHE 114 1.000 85.392 -30.169 3.625 -99.200 -91.000 PHE 117 1.000 85.075 -33.184 8.425 -99.200 -91.000 HIS 122 0.900 74.246 -18.451 14.521 -99.200 -91.000 TYR 124 0.840 78.252 -16.237 10.978 -99.200 -91.000 PHE 135 1.000 81.116 -11.927 0.721 -99.200 -91.000 PHE 137 1.000 80.995 -15.952 6.392 -99.200 -91.000 TYR 140 0.840 78.069 -27.632 9.889 -99.200 -91.000 PHE 149 1.000 86.939 -33.004 13.579 -99.200 -91.000 TYR 152 0.840 88.721 -30.106 8.619 -99.200 -91.000 HIS 153 0.900 92.419 -31.829 15.573 -99.200 -91.000 PHE 159 1.000 96.376 -23.460 8.042 -99.200 -91.000 TRP 162 1.040 102.045 -22.433 10.081 -99.200 -91.000 TRP6 162 1.020 104.298 -23.166 10.364 -99.200 -91.000 PHE 163 1.000 98.681 -17.778 11.238 -99.200 -91.000 PHE 169 1.000 100.389 -30.224 16.044 -99.200 -91.000 TRP 177 1.040 91.222 -32.672 23.863 -99.200 -91.000 TRP6 177 1.020 91.602 -30.370 24.340 -99.200 -91.000 HIS 178 0.900 82.665 -31.227 24.454 -99.200 -91.000 TYR 179 0.840 87.952 -32.156 18.430 -99.200 -91.000 PHE 180 1.000 81.871 -26.168 20.296 -99.200 -91.000 PHE 183 1.000 83.499 -26.446 7.745 -99.200 -91.000 TYR 186 0.840 84.007 -22.291 -2.136 -99.200 -91.000 PHE 194 1.000 79.157 -26.825 2.866 -99.200 -91.000 TYR 199 0.840 90.898 -25.762 15.002 -99.200 -91.000 TYR 203 0.840 90.227 -31.721 28.823 -99.200 -91.000 TYR 205 0.840 89.369 -28.956 35.186 -99.200 -91.000 TYR 206 0.840 84.682 -34.951 37.755 -99.200 -91.000 TYR 208 0.840 84.083 -35.093 44.377 -99.200 -91.000 PHE 225 1.000 88.195 -17.148 5.475 -99.200 -91.000 HIS 230 0.900 83.556 -14.598 9.621 -99.200 -91.000 HIS 239 0.900 80.257 -18.001 26.872 -99.200 -91.000 TYR 241 0.840 76.950 -27.854 22.470 -99.200 -91.000 TYR 242 0.840 80.346 -26.230 25.890 -99.200 -91.000 PHE 245 1.000 74.683 -29.838 26.699 -99.200 -91.000 TYR 260 0.840 89.405 -16.228 24.397 -99.200 -91.000 PHE 266 1.000 81.878 -7.152 19.939 -99.200 -91.000 PHE 278 1.000 75.458 -7.654 33.980 -99.200 -91.000 PHE 287 1.000 80.065 -7.787 40.528 -99.200 -91.000 PHE 299 1.000 73.111 -15.011 27.582 -99.200 -91.000 HIS 305 0.900 85.863 -15.067 32.071 -99.200 -91.000 TYR 310 0.840 79.852 -2.700 37.957 -99.200 -91.000