============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 1 1.000 73.376 58.288 -18.815 -99.200 -91.000 TYR 39 0.840 88.134 46.008 5.399 -99.200 -91.000 TRP 48 1.040 91.193 54.273 -6.471 -99.200 -91.000 TRP6 48 1.020 89.615 55.667 -5.403 -99.200 -91.000 TYR 49 0.840 92.719 59.591 -5.083 -99.200 -91.000 PHE 78 1.000 76.442 60.673 -9.101 -99.200 -91.000 PHE 81 1.000 77.973 57.488 -15.630 -99.200 -91.000 TRP 92 1.040 84.730 52.910 -7.516 -99.200 -91.000 TRP6 92 1.020 82.603 52.780 -8.547 -99.200 -91.000 TRP 94 1.040 89.076 57.911 -0.040 -99.200 -91.000 TRP6 94 1.020 90.138 59.572 1.276 -99.200 -91.000 HIS 100 0.900 85.497 56.607 8.953 -99.200 -91.000 TYR 110 0.840 68.310 63.863 0.631 -99.200 -91.000 HIS 115 0.900 72.704 64.892 -10.568 -99.200 -91.000 PHE 117 1.000 66.902 56.408 -7.726 -99.200 -91.000 HIS 154 0.900 82.909 42.079 -8.779 -99.200 -91.000 PHE 166 1.000 78.307 40.313 1.309 -99.200 -91.000 TYR 168 0.840 74.448 45.714 -0.253 -99.200 -91.000 HIS 173 0.900 58.838 51.403 -10.031 -99.200 -91.000 TRP 175 1.040 64.295 59.142 -5.039 -99.200 -91.000 TRP6 175 1.020 66.023 59.510 -3.449 -99.200 -91.000 PHE 186 1.000 69.728 63.447 5.761 -99.200 -91.000