============================================================================= 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 1 1.000 146.376 91.501 -73.517 -99.200 -91.000 PHE 4 1.000 144.570 82.855 -78.142 -99.200 -91.000 TYR 27 0.840 171.077 91.750 -75.763 -99.200 -91.000 TYR 43 0.840 187.637 83.726 -69.654 -99.200 -91.000 TYR 47 0.840 196.000 84.363 -68.951 -99.200 -91.000 TYR 49 0.840 192.572 90.067 -59.492 -99.200 -91.000 HIS 50 0.900 195.210 80.808 -62.668 -99.200 -91.000 PHE 53 1.000 198.487 80.312 -57.648 -99.200 -91.000 TYR 55 0.840 206.259 88.078 -57.667 -99.200 -91.000 PHE 56 1.000 202.434 88.607 -54.504 -99.200 -91.000 PHE 69 1.000 192.588 89.174 -52.583 -99.200 -91.000 PHE 70 1.000 196.805 89.229 -55.637 -99.200 -91.000 HIS 80 0.900 182.961 88.723 -60.547 -99.200 -91.000 TYR 87 0.840 171.728 89.853 -69.316 -99.200 -91.000 PHE 107 1.000 202.192 90.706 -61.024 -99.200 -91.000 HIS 109 0.900 207.327 99.639 -56.694 -99.200 -91.000 HIS 117 0.900 203.761 97.055 -58.241 -99.200 -91.000 HIS 137 0.900 173.353 101.372 -65.565 -99.200 -91.000 PHE 151 1.000 173.531 90.306 -65.883 -99.200 -91.000 TYR 156 0.840 178.533 91.213 -63.562 -99.200 -91.000 TYR 170 0.840 192.408 92.540 -48.424 -99.200 -91.000 HIS 181 0.900 207.058 90.778 -36.989 -99.200 -91.000 TRP 184 1.040 205.567 85.830 -42.310 -99.200 -91.000 TRP6 184 1.020 204.867 85.445 -40.087 -99.200 -91.000 HIS 185 0.900 200.824 90.149 -37.273 -99.200 -91.000 PHE 186 1.000 197.394 92.549 -45.534 -99.200 -91.000 HIS 192 0.900 195.777 81.145 -40.884 -99.200 -91.000