============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TYR 2 0.840 75.659 78.564 -4.490 -99.200 -91.000 PHE 9 1.000 72.408 80.053 11.233 -99.200 -91.000 HIS 11 0.900 71.746 71.345 17.947 -99.200 -91.000 PHE 16 1.000 62.943 85.414 9.170 -99.200 -91.000 PHE 22 1.000 75.862 84.285 7.914 -99.200 -91.000 TYR 24 0.840 71.366 92.921 1.996 -99.200 -91.000 PHE 28 1.000 74.161 81.863 2.070 -99.200 -91.000 TRP 34 1.040 63.893 72.321 10.866 -99.200 -91.000 TRP6 34 1.020 64.822 72.321 13.062 -99.200 -91.000 HIS 37 0.900 64.406 77.411 13.143 -99.200 -91.000 TYR 42 0.840 50.337 81.811 11.699 -99.200 -91.000 TYR 45 0.840 51.308 87.588 11.327 -99.200 -91.000 TYR 67 0.840 61.588 67.026 9.933 -99.200 -91.000 PHE 76 1.000 46.895 60.721 5.512 -99.200 -91.000 TRP 92 1.040 53.207 85.783 7.360 -99.200 -91.000 TRP6 92 1.020 54.460 85.134 9.273 -99.200 -91.000 PHE 93 1.000 57.608 82.456 7.108 -99.200 -91.000 PHE 101 1.000 63.569 63.983 5.366 -99.200 -91.000 PHE 110 1.000 58.388 51.519 3.176 -99.200 -91.000 TYR 118 0.840 54.575 54.082 4.472 -99.200 -91.000 PHE 128 1.000 51.128 70.636 1.258 -99.200 -91.000 HIS 131 0.900 46.220 75.309 0.097 -99.200 -91.000 TYR 133 0.840 54.960 72.675 -8.145 -99.200 -91.000 HIS 139 0.900 67.666 62.377 4.418 -99.200 -91.000 HIS 159 0.900 49.135 65.303 -7.779 -99.200 -91.000 PHE 168 1.000 73.402 66.917 -6.653 -99.200 -91.000 HIS 170 0.900 71.882 61.996 3.170 -99.200 -91.000 TRP 172 1.040 79.759 59.596 -3.315 -99.200 -91.000 TRP6 172 1.020 80.546 58.991 -1.173 -99.200 -91.000 PHE 182 1.000 70.886 68.028 -13.155 -99.200 -91.000 TRP 188 1.040 59.426 63.512 -11.658 -99.200 -91.000 TRP6 188 1.020 60.652 62.080 -13.121 -99.200 -91.000 HIS 191 0.900 65.777 74.109 -2.252 -99.200 -91.000 TYR 192 0.840 69.819 71.356 -7.725 -99.200 -91.000 HIS 193 0.900 68.509 69.900 1.734 -99.200 -91.000 PHE 194 1.000 74.905 72.180 -4.381 -99.200 -91.000 TYR 202 0.840 85.182 60.030 10.083 -99.200 -91.000 HIS 204 0.900 79.328 57.198 11.902 -99.200 -91.000 PHE 206 1.000 76.262 64.331 6.817 -99.200 -91.000 TYR 212 0.840 66.594 65.774 13.529 -99.200 -91.000 PHE 224 1.000 83.815 73.754 -4.314 -99.200 -91.000 TYR 230 0.840 78.745 68.953 -3.235 -99.200 -91.000 HIS 242 0.900 64.914 73.605 -10.330 -99.200 -91.000 PHE 243 1.000 66.734 80.351 -4.396 -99.200 -91.000 TRP 248 1.040 78.268 73.769 8.995 -99.200 -91.000 TRP6 248 1.020 79.961 72.270 8.267 -99.200 -91.000 PHE 249 1.000 72.016 68.767 8.697 -99.200 -91.000 HIS 251 0.900 80.411 71.454 16.909 -99.200 -91.000