============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 11 1.000 13.573 103.249 10.728 -99.200 -91.000 TRP 14 1.040 11.814 109.171 14.819 -99.200 -91.000 TRP6 14 1.020 11.264 108.817 12.566 -99.200 -91.000 TRP 20 1.040 13.853 103.203 20.120 -99.200 -91.000 TRP6 20 1.020 13.796 104.028 22.315 -99.200 -91.000 TYR 30 0.840 6.808 95.683 5.280 -99.200 -91.000 TYR 44 0.840 3.322 97.755 17.260 -99.200 -91.000 PHE 49 1.000 -2.290 98.216 10.815 -99.200 -91.000 PHE 50 1.000 1.473 105.271 16.162 -99.200 -91.000 PHE 52 1.000 6.768 105.735 14.443 -99.200 -91.000 HIS 58 0.900 10.970 103.880 -3.052 -99.200 -91.000 TRP 79 1.040 10.633 109.976 4.456 -99.200 -91.000 TRP6 79 1.020 9.561 108.212 3.322 -99.200 -91.000 TYR 87 0.840 -0.674 108.621 -0.847 -99.200 -91.000 PHE 93 1.000 0.856 118.795 9.616 -99.200 -91.000 PHE 94 1.000 -2.500 113.314 13.420 -99.200 -91.000 TYR 97 0.840 1.181 118.272 20.564 -99.200 -91.000 PHE 105 1.000 7.501 108.255 35.069 -99.200 -91.000 HIS 109 0.900 0.759 113.472 40.970 -99.200 -91.000 PHE 121 1.000 -15.715 103.913 39.457 -99.200 -91.000 TYR 130 0.840 -5.364 89.045 24.636 -99.200 -91.000 TRP 138 1.040 -14.662 100.392 25.608 -99.200 -91.000 TRP6 138 1.020 -13.077 100.718 27.305 -99.200 -91.000 TYR 146 0.840 1.392 93.211 23.069 -99.200 -91.000 PHE 152 1.000 -1.426 92.350 27.398 -99.200 -91.000 HIS 163 0.900 -19.105 101.688 38.511 -99.200 -91.000 TYR 174 0.840 -0.568 101.147 19.660 -99.200 -91.000 TYR 177 0.840 11.308 100.279 24.980 -99.200 -91.000 TYR 191 0.840 -18.475 103.714 34.066 -99.200 -91.000 TYR 214 0.840 10.488 105.912 29.753 -99.200 -91.000 TRP 217 1.040 1.289 110.220 27.245 -99.200 -91.000 TRP6 217 1.020 -0.191 109.233 28.794 -99.200 -91.000 HIS 220 0.900 -4.001 110.803 17.494 -99.200 -91.000 TYR 233 0.840 5.027 109.959 30.827 -99.200 -91.000 TYR 239 0.840 5.471 112.991 16.493 -99.200 -91.000 TYR 242 0.840 1.378 114.517 6.454 -99.200 -91.000 TRP 244 1.040 -3.959 106.015 4.600 -99.200 -91.000 TRP6 244 1.020 -2.374 106.938 3.126 -99.200 -91.000