============================================================================= 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 1.000 145.547 91.026 -73.429 -99.200 -91.000 PHE 5 1.000 143.614 82.610 -77.886 -99.200 -91.000 TYR 28 0.840 170.009 91.554 -75.678 -99.200 -91.000 TYR 44 0.840 186.646 83.720 -69.559 -99.200 -91.000 TYR 48 0.840 195.037 84.459 -68.837 -99.200 -91.000 TYR 50 0.840 191.489 89.991 -59.220 -99.200 -91.000 HIS 51 0.900 194.274 80.973 -62.487 -99.200 -91.000 PHE 54 1.000 197.552 80.454 -57.465 -99.200 -91.000 TYR 56 0.840 205.341 88.325 -57.625 -99.200 -91.000 PHE 57 1.000 201.561 88.848 -54.392 -99.200 -91.000 PHE 70 1.000 191.594 89.282 -52.410 -99.200 -91.000 PHE 71 1.000 195.949 89.281 -55.406 -99.200 -91.000 HIS 81 0.900 181.860 88.596 -60.397 -99.200 -91.000 TYR 88 0.840 170.749 89.678 -69.271 -99.200 -91.000 PHE 108 1.000 201.136 90.906 -60.921 -99.200 -91.000 HIS 110 0.900 206.321 99.951 -56.549 -99.200 -91.000 HIS 118 0.900 202.859 97.055 -58.199 -99.200 -91.000 HIS 138 0.900 172.108 101.187 -65.310 -99.200 -91.000 PHE 152 1.000 172.381 90.177 -65.724 -99.200 -91.000 TYR 157 0.840 177.356 91.080 -63.333 -99.200 -91.000 TYR 171 0.840 191.477 92.568 -48.248 -99.200 -91.000 HIS 182 0.900 206.264 90.982 -36.885 -99.200 -91.000 TRP 185 1.040 204.715 86.015 -42.170 -99.200 -91.000 TRP6 185 1.020 204.022 85.619 -39.948 -99.200 -91.000 HIS 186 0.900 199.950 90.183 -37.139 -99.200 -91.000 PHE 187 1.000 196.411 92.597 -45.394 -99.200 -91.000 HIS 193 0.900 195.083 81.304 -40.665 -99.200 -91.000