============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 4 0.900 62.511 24.702 -25.706 -99.200 -91.000 PHE 17 1.000 56.820 5.084 -18.528 -99.200 -91.000 TYR 23 0.840 60.890 -6.217 -17.364 -99.200 -91.000 PHE 38 1.000 62.602 -5.030 5.119 -99.200 -91.000 TYR 57 0.840 57.627 -2.628 6.922 -99.200 -91.000 TYR 58 0.840 60.624 5.297 5.856 -99.200 -91.000 TRP 63 1.040 63.423 -2.777 -10.422 -99.200 -91.000 TRP6 63 1.020 62.019 -1.921 -8.741 -99.200 -91.000 TRP 70 1.040 67.240 8.775 -20.093 -99.200 -91.000 TRP6 70 1.020 66.254 7.960 -18.105 -99.200 -91.000 TYR 75 0.840 65.154 10.794 -24.676 -99.200 -91.000 PHE 81 1.000 61.283 8.843 -15.826 -99.200 -91.000 TRP 89 1.040 57.809 -6.355 -13.121 -99.200 -91.000 TRP6 89 1.020 59.629 -6.527 -11.654 -99.200 -91.000 TYR 96 0.840 56.097 -18.443 4.227 -99.200 -91.000 HIS 114 0.900 72.259 8.280 -16.653 -99.200 -91.000 PHE 120 1.000 57.276 1.445 -4.902 -99.200 -91.000 PHE 128 1.000 56.066 -9.509 12.493 -99.200 -91.000 PHE 147 1.000 59.103 -8.110 5.005 -99.200 -91.000 TRP 150 1.040 52.776 -16.127 -2.980 -99.200 -91.000 TRP6 150 1.020 52.928 -16.658 -0.657 -99.200 -91.000 TYR 152 0.840 58.466 -13.206 -11.221 -99.200 -91.000 PHE 155 1.000 67.843 -21.526 -10.634 -99.200 -91.000 TYR 171 0.840 61.357 1.937 17.052 -99.200 -91.000 TYR 172 0.840 56.653 7.871 18.486 -99.200 -91.000 TYR 177 0.840 55.504 -2.722 22.351 -99.200 -91.000 HIS 190 0.900 65.764 -25.303 -1.869 -99.200 -91.000 TYR 191 0.840 58.544 -21.265 -0.311 -99.200 -91.000 TYR 198 0.840 60.118 -19.785 -5.322 -99.200 -91.000 PHE 207 1.000 58.954 -6.897 19.949 -99.200 -91.000