============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 8 1.000 -80.422 32.519 -42.241 -99.200 -91.000 PHE 9 1.000 -73.752 27.462 -38.170 -99.200 -91.000 HIS 12 0.900 -70.056 38.905 -42.121 -99.200 -91.000 PHE 13 1.000 -66.733 31.621 -37.958 -99.200 -91.000 PHE 14 1.000 -69.722 28.784 -40.485 -99.200 -91.000 TYR 17 0.840 -57.720 32.737 -42.739 -99.200 -91.000 PHE 45 1.000 -75.653 28.318 -32.018 -99.200 -91.000 PHE 55 1.000 -56.589 18.820 -31.199 -99.200 -91.000 PHE 56 1.000 -60.901 23.706 -32.353 -99.200 -91.000 TRP 66 1.040 -66.628 26.808 -24.351 -99.200 -91.000 TRP6 66 1.020 -66.733 28.956 -23.351 -99.200 -91.000 PHE 79 1.000 -57.210 21.267 -35.574 -99.200 -91.000 PHE 83 1.000 -67.506 25.204 -35.308 -99.200 -91.000 HIS 88 0.900 -84.154 21.909 -29.532 -99.200 -91.000 PHE 110 1.000 -26.737 22.601 -33.482 -99.200 -91.000 HIS 111 0.900 -32.416 16.803 -37.044 -99.200 -91.000 TYR 115 0.840 -23.213 18.118 -35.721 -99.200 -91.000 PHE 130 1.000 -19.228 18.742 -39.436 -99.200 -91.000 TYR 147 0.840 -26.101 27.336 -38.627 -99.200 -91.000 PHE 149 1.000 -16.874 27.653 -34.839 -99.200 -91.000 PHE 155 1.000 -5.033 28.055 -34.288 -99.200 -91.000 PHE 156 1.000 -10.441 24.827 -36.721 -99.200 -91.000 TYR 173 0.840 -0.190 15.269 -34.598 -99.200 -91.000 TYR 179 0.840 -7.570 23.441 -32.898 -99.200 -91.000