============================================================================= 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 27 1.000 3.492 -15.544 37.216 -99.200 -91.000 PHE 29 1.000 1.886 -20.716 40.496 -99.200 -91.000 TYR 32 0.840 2.564 -17.760 32.518 -99.200 -91.000 TRP 33 1.040 4.173 -26.116 31.068 -99.200 -91.000 TRP6 33 1.020 5.058 -28.302 30.879 -99.200 -91.000 TRP 36 1.040 11.401 -25.699 42.388 -99.200 -91.000 TRP6 36 1.020 11.720 -23.954 43.960 -99.200 -91.000 TRP 47 1.040 15.483 -27.464 33.961 -99.200 -91.000 TRP6 47 1.020 14.568 -29.617 33.573 -99.200 -91.000 TYR 60 0.840 11.228 -34.583 39.637 -99.200 -91.000 PHE 68 1.000 17.053 -32.379 44.058 -99.200 -91.000 TYR 80 0.840 4.163 -25.410 48.105 -99.200 -91.000 TYR 94 0.840 18.630 -25.761 46.138 -99.200 -91.000 TYR 95 0.840 19.281 -18.601 41.550 -99.200 -91.000 PHE 101 1.000 5.613 -25.844 27.034 -99.200 -91.000 TYR 104 0.840 1.603 -21.513 14.679 -99.200 -91.000 HIS 106 0.900 8.198 -25.714 16.599 -99.200 -91.000 TYR 107 0.840 9.925 -17.619 23.192 -99.200 -91.000 TYR 111 0.840 8.987 -11.702 34.267 -99.200 -91.000 TRP 112 1.040 15.647 -16.840 35.595 -99.200 -91.000 TRP6 112 1.020 17.181 -18.605 35.962 -99.200 -91.000 PHE 131 1.000 35.492 -6.868 64.678 -99.200 -91.000 TYR 154 0.840 29.468 -14.201 57.127 -99.200 -91.000 PHE 155 1.000 28.635 -22.921 58.255 -99.200 -91.000 TRP 163 1.040 27.760 0.741 53.204 -99.200 -91.000 TRP6 163 1.020 29.245 1.321 54.952 -99.200 -91.000 HIS 173 0.900 33.204 -0.600 44.431 -99.200 -91.000 PHE 175 1.000 35.668 -5.302 47.749 -99.200 -91.000 TYR 185 0.840 31.304 -18.902 54.025 -99.200 -91.000 TYR 203 0.840 29.773 8.639 55.140 -99.200 -91.000 HIS 209 0.900 24.547 -15.184 59.590 -99.200 -91.000