============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. PHE 3 1.000 -10.192 4.652 23.208 -99.200 -91.000 PHE 4 1.000 -12.328 -2.250 23.536 -99.200 -91.000 TRP 8 1.040 -18.450 -5.393 22.454 -99.200 -91.000 TRP6 8 1.020 -18.296 -6.559 20.400 -99.200 -91.000 HIS 11 0.900 -16.205 -12.132 27.566 -99.200 -91.000 PHE 16 1.000 -7.670 -4.094 25.472 -99.200 -91.000 TYR 20 0.840 -1.662 -7.540 18.745 -99.200 -91.000 PHE 21 1.000 -4.432 -3.181 21.842 -99.200 -91.000 PHE 27 1.000 1.231 3.371 12.380 -99.200 -91.000 HIS 34 0.900 4.677 14.019 13.906 -99.200 -91.000 TYR 35 0.840 1.296 12.212 8.628 -99.200 -91.000 TYR 38 0.840 -10.563 11.771 8.593 -99.200 -91.000 HIS 42 0.900 -15.350 11.156 19.365 -99.200 -91.000 PHE 45 1.000 -10.835 0.518 20.070 -99.200 -91.000 TRP 47 1.040 -15.174 -1.892 16.612 -99.200 -91.000 TRP6 47 1.020 -14.454 -3.797 17.823 -99.200 -91.000 TYR 66 0.840 -17.125 4.881 4.087 -99.200 -91.000 HIS 67 0.900 -9.802 7.562 1.375 -99.200 -91.000 HIS 73 0.900 -20.579 6.134 12.580 -99.200 -91.000 PHE 77 1.000 -19.036 -2.033 3.717 -99.200 -91.000 TYR 93 0.840 -28.685 2.627 2.866 -99.200 -91.000 PHE 103 1.000 -33.550 -0.820 3.058 -99.200 -91.000 HIS 105 0.900 -31.676 5.535 0.786 -99.200 -91.000 HIS 108 0.900 -30.065 7.539 8.532 -99.200 -91.000 TRP 114 1.040 -28.919 -2.240 9.330 -99.200 -91.000 TRP6 114 1.020 -27.606 -2.306 7.365 -99.200 -91.000 HIS 131 0.900 -8.186 14.083 2.491 -99.200 -91.000 HIS 136 0.900 -3.036 4.866 10.510 -99.200 -91.000 TRP 141 1.040 -5.686 -0.411 13.830 -99.200 -91.000 TRP6 141 1.020 -6.674 -0.318 15.980 -99.200 -91.000 PHE 144 1.000 -8.585 -5.438 19.423 -99.200 -91.000 TRP 151 1.040 -14.275 -14.016 23.234 -99.200 -91.000 TRP6 151 1.020 -16.628 -13.749 23.332 -99.200 -91.000 PHE 161 1.000 -18.647 -14.963 11.718 -99.200 -91.000 TRP 164 1.040 -21.310 -8.721 1.894 -99.200 -91.000 TRP6 164 1.020 -22.366 -6.841 2.868 -99.200 -91.000 TYR 167 0.840 -8.588 -7.367 4.274 -99.200 -91.000 HIS 180 0.900 -20.205 -19.202 14.877 -99.200 -91.000 HIS 181 0.900 -26.449 -20.442 10.203 -99.200 -91.000 HIS 187 0.900 -16.082 -3.832 -1.079 -99.200 -91.000 TYR 194 0.840 -24.624 -4.237 -11.929 -99.200 -91.000 PHE 197 1.000 -23.669 -6.141 -1.938 -99.200 -91.000 PHE 198 1.000 -26.191 -3.594 -7.284 -99.200 -91.000 HIS 202 0.900 -24.415 -12.490 1.004 -99.200 -91.000 PHE 203 1.000 -28.155 -6.748 2.854 -99.200 -91.000 TRP 220 1.040 -31.690 -7.104 7.086 -99.200 -91.000 TRP6 220 1.020 -29.406 -7.016 7.707 -99.200 -91.000