============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 9 1.000 24.683 23.514 19.943 -99.200 -91.000 PHE 17 1.000 30.454 22.811 18.814 -99.200 -91.000 TYR 39 0.840 18.570 23.171 27.933 -99.200 -91.000 TYR 42 0.840 21.833 18.342 30.092 -99.200 -91.000 TYR 46 0.840 26.476 14.908 30.436 -99.200 -91.000 HIS 50 0.900 25.282 10.247 17.204 -99.200 -91.000 PHE 53 1.000 32.776 18.019 22.699 -99.200 -91.000 HIS 63 0.900 30.199 35.332 24.870 -99.200 -91.000 TRP 84 1.040 25.027 35.377 11.459 -99.200 -91.000 TRP6 84 1.020 25.502 33.727 13.080 -99.200 -91.000 PHE 99 1.000 14.621 31.324 10.557 -99.200 -91.000 HIS 108 0.900 21.091 33.028 9.208 -99.200 -91.000 PHE 129 1.000 24.810 23.375 -5.258 -99.200 -91.000 PHE 135 1.000 29.093 18.942 -1.898 -99.200 -91.000 TYR 138 0.840 28.834 27.274 -4.627 -99.200 -91.000 PHE 164 1.000 24.745 -2.016 -13.771 -99.200 -91.000 HIS 175 0.900 14.347 9.197 8.571 -99.200 -91.000 HIS 189 0.900 -1.654 22.578 11.925 -99.200 -91.000 TRP 192 1.040 -4.643 15.306 10.483 -99.200 -91.000 TRP6 192 1.020 -6.864 14.758 9.878 -99.200 -91.000 PHE 229 1.000 5.958 2.012 5.037 -99.200 -91.000 TYR 251 0.840 22.346 -8.039 -5.298 -99.200 -91.000 TYR 272 0.840 30.203 -3.870 -1.784 -99.200 -91.000 PHE 282 1.000 25.723 0.370 8.303 -99.200 -91.000 PHE 290 1.000 24.580 -2.332 -2.967 -99.200 -91.000 PHE 302 1.000 10.841 -4.894 -10.848 -99.200 -91.000 TRP 308 1.040 22.122 -0.566 6.200 -99.200 -91.000 TRP6 308 1.020 20.408 -0.793 7.799 -99.200 -91.000 TYR 309 0.840 19.367 7.654 5.164 -99.200 -91.000 TYR 315 0.840 21.688 17.026 5.809 -99.200 -91.000 HIS 325 0.900 32.686 22.117 -4.046 -99.200 -91.000