============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. HIS 27 0.900 -6.907 10.339 -2.143 -99.200 -91.000 TYR 31 0.840 -6.853 7.738 -8.016 -99.200 -91.000 TRP 32 1.040 -13.157 0.351 -9.465 -99.200 -91.000 TRP6 32 1.020 -12.722 -1.968 -9.879 -99.200 -91.000 TYR 33 0.840 -5.981 2.796 -13.001 -99.200 -91.000 HIS 39 0.900 4.190 -7.195 -16.768 -99.200 -91.000 HIS 45 0.900 -15.991 0.902 -13.987 -99.200 -91.000 TYR 46 0.840 -9.547 8.023 -12.095 -99.200 -91.000 TYR 48 0.840 -13.887 13.511 -9.288 -99.200 -91.000 TYR 62 0.840 -18.273 0.984 -19.640 -99.200 -91.000 PHE 72 1.000 -17.548 2.628 -8.798 -99.200 -91.000 TYR 87 0.840 -13.015 -6.934 -14.217 -99.200 -91.000 PHE 88 1.000 -6.333 -3.470 -10.143 -99.200 -91.000 PHE 100 1.000 -3.515 4.611 1.946 -99.200 -91.000 PHE 101 1.000 -3.435 -0.138 -6.396 -99.200 -91.000 TYR 114 0.840 -26.317 -29.285 -19.352 -99.200 -91.000 TRP 150 1.040 22.162 -14.592 -10.951 -99.200 -91.000 TRP6 150 1.020 22.453 -16.969 -10.845 -99.200 -91.000 TYR 161 0.840 9.032 8.939 -22.647 -99.200 -91.000 PHE 166 1.000 3.426 10.831 -21.502 -99.200 -91.000 TYR 168 0.840 4.179 12.980 -11.822 -99.200 -91.000 PHE 169 1.000 7.953 9.443 -17.331 -99.200 -91.000 TRP 171 1.040 10.240 3.886 -12.021 -99.200 -91.000 TRP6 171 1.020 11.264 1.733 -12.272 -99.200 -91.000 TYR 172 0.840 1.278 3.751 -8.087 -99.200 -91.000 PHE 175 1.000 5.387 -7.013 -3.217 -99.200 -91.000 PHE 198 1.000 14.835 0.817 -5.443 -99.200 -91.000 PHE 201 1.000 22.530 7.111 -13.775 -99.200 -91.000 PHE 202 1.000 16.577 12.448 -20.273 -99.200 -91.000 HIS 212 0.900 21.365 2.037 -13.398 -99.200 -91.000 TYR 224 0.840 10.591 -2.994 -8.672 -99.200 -91.000 PHE 225 1.000 1.721 -2.568 -12.442 -99.200 -91.000 PHE 232 1.000 -8.777 15.925 -16.019 -99.200 -91.000 PHE 237 1.000 -0.570 2.589 -14.718 -99.200 -91.000 TYR 248 0.840 23.023 -22.103 -4.584 -99.200 -91.000