============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TRP 7 1.040 19.775 -11.856 10.271 -99.200 -91.000 TRP6 7 1.020 21.868 -10.769 10.505 -99.200 -91.000 TRP 26 1.040 -1.402 -4.533 15.403 -99.200 -91.000 TRP6 26 1.020 -0.681 -2.372 16.040 -99.200 -91.000 PHE 28 1.000 3.410 -9.230 20.963 -99.200 -91.000 TRP 38 1.040 18.530 -0.101 20.219 -99.200 -91.000 TRP6 38 1.020 18.858 2.174 19.644 -99.200 -91.000 PHE 39 1.000 22.827 -7.651 18.423 -99.200 -91.000 HIS 43 0.900 22.329 1.488 19.579 -99.200 -91.000 PHE 72 1.000 8.169 -0.843 10.814 -99.200 -91.000 TRP 74 1.040 1.498 6.655 16.814 -99.200 -91.000 TRP6 74 1.020 2.788 6.030 18.697 -99.200 -91.000 TYR 83 0.840 7.743 5.458 25.522 -99.200 -91.000 TYR 88 0.840 3.168 1.751 27.710 -99.200 -91.000 TYR 90 0.840 0.754 -7.926 25.179 -99.200 -91.000 HIS 105 0.900 5.476 4.391 29.864 -99.200 -91.000 HIS 114 0.900 7.947 2.804 6.776 -99.200 -91.000 TRP 127 1.040 16.870 -4.504 2.888 -99.200 -91.000 TRP6 127 1.020 16.416 -4.607 5.205 -99.200 -91.000 TRP 143 1.040 0.898 -19.909 9.299 -99.200 -91.000 TRP6 143 1.020 2.548 -18.348 9.957 -99.200 -91.000 TYR 146 0.840 4.729 -25.284 11.787 -99.200 -91.000 HIS 161 0.900 0.245 -13.795 12.781 -99.200 -91.000 TYR 168 0.840 18.373 -16.712 2.972 -99.200 -91.000 TYR 175 0.840 14.463 -24.258 6.330 -99.200 -91.000 TRP 176 1.040 10.873 -17.148 3.040 -99.200 -91.000 TRP6 176 1.020 12.509 -15.446 2.859 -99.200 -91.000 TRP 182 1.040 0.131 -16.683 17.386 -99.200 -91.000 TRP6 182 1.020 -0.632 -17.963 15.547 -99.200 -91.000 TRP 186 1.040 1.737 -22.302 16.649 -99.200 -91.000 TRP6 186 1.020 3.215 -21.427 15.022 -99.200 -91.000 TYR 191 0.840 12.068 -18.488 16.076 -99.200 -91.000