============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 2 1.000 110.004 54.928 -34.099 -99.200 -91.000 PHE 5 1.000 110.829 47.946 -27.174 -99.200 -91.000 TYR 28 0.840 119.412 42.716 -53.298 -99.200 -91.000 TYR 44 0.840 135.683 35.531 -60.892 -99.200 -91.000 TYR 48 0.840 139.673 32.619 -67.763 -99.200 -91.000 TYR 50 0.840 141.459 43.979 -68.830 -99.200 -91.000 HIS 51 0.900 145.659 35.644 -64.963 -99.200 -91.000 PHE 54 1.000 150.926 37.540 -67.051 -99.200 -91.000 TYR 56 0.840 150.170 38.180 -78.089 -99.200 -91.000 PHE 57 1.000 150.346 42.465 -75.469 -99.200 -91.000 PHE 70 1.000 146.856 48.451 -68.247 -99.200 -91.000 PHE 71 1.000 146.624 44.452 -71.515 -99.200 -91.000 HIS 81 0.900 137.081 46.773 -60.672 -99.200 -91.000 TYR 88 0.840 125.197 46.022 -52.612 -99.200 -91.000 PHE 108 1.000 144.490 38.925 -76.583 -99.200 -91.000 HIS 110 0.900 144.958 44.735 -86.310 -99.200 -91.000 HIS 118 0.900 143.656 43.745 -81.817 -99.200 -91.000 HIS 138 0.900 122.193 54.113 -61.358 -99.200 -91.000 PHE 152 1.000 128.176 48.054 -54.240 -99.200 -91.000 TYR 157 0.840 131.574 47.944 -58.700 -99.200 -91.000 TYR 171 0.840 147.817 53.384 -70.145 -99.200 -91.000 HIS 182 0.900 163.550 54.003 -80.258 -99.200 -91.000 TRP 185 1.040 161.859 48.271 -75.967 -99.200 -91.000 TRP6 185 1.020 163.316 49.967 -75.197 -99.200 -91.000 HIS 186 0.900 160.877 56.245 -74.993 -99.200 -91.000 PHE 187 1.000 152.166 53.245 -73.979 -99.200 -91.000 HIS 193 0.900 160.992 50.989 -65.243 -99.200 -91.000