============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 5 1.000 33.617 2.664 17.765 -99.200 -91.000 TYR 6 0.840 29.680 5.231 10.413 -99.200 -91.000 PHE 11 1.000 24.490 7.453 11.429 -99.200 -91.000 HIS 15 0.900 32.946 2.570 7.409 -99.200 -91.000 TYR 16 0.840 37.993 -0.725 13.950 -99.200 -91.000 HIS 22 0.900 38.909 -2.982 18.890 -99.200 -91.000 TYR 28 0.840 41.935 -0.360 14.761 -99.200 -91.000 PHE 29 1.000 37.427 5.366 15.992 -99.200 -91.000 TRP 42 1.040 28.878 -2.291 21.513 -99.200 -91.000 TRP6 42 1.020 30.996 -3.222 20.999 -99.200 -91.000 TYR 45 0.840 35.605 2.590 29.044 -99.200 -91.000 PHE 50 1.000 39.552 -1.199 28.046 -99.200 -91.000 TYR 55 0.840 31.208 9.581 26.433 -99.200 -91.000 PHE 56 1.000 24.101 1.214 28.008 -99.200 -91.000 TYR 62 0.840 23.650 5.757 20.143 -99.200 -91.000 TYR 65 0.840 30.338 15.642 20.489 -99.200 -91.000 TRP 68 1.040 28.693 9.218 22.364 -99.200 -91.000 TRP6 68 1.020 28.837 9.131 20.000 -99.200 -91.000 PHE 71 1.000 31.155 15.157 29.997 -99.200 -91.000 HIS 83 0.900 21.880 -12.089 28.880 -99.200 -91.000 HIS 87 0.900 20.965 -6.414 35.102 -99.200 -91.000 TYR 92 0.840 26.751 -1.310 51.505 -99.200 -91.000 TYR 97 0.840 32.161 -2.051 50.204 -99.200 -91.000 HIS 110 0.900 15.765 12.020 42.226 -99.200 -91.000 PHE 115 1.000 17.162 3.467 46.910 -99.200 -91.000 HIS 116 0.900 16.694 2.863 53.981 -99.200 -91.000 PHE 117 1.000 20.478 4.557 51.806 -99.200 -91.000 PHE 120 1.000 21.698 7.581 47.469 -99.200 -91.000 HIS 121 0.900 29.171 9.680 49.723 -99.200 -91.000 PHE 123 1.000 26.791 3.010 44.209 -99.200 -91.000 HIS 124 0.900 29.098 -6.973 47.109 -99.200 -91.000 TYR 129 0.840 29.129 -6.989 33.390 -99.200 -91.000 TRP 130 1.040 23.862 -3.078 38.239 -99.200 -91.000 TRP6 130 1.020 21.684 -2.505 38.966 -99.200 -91.000 TYR 133 0.840 23.195 6.802 33.437 -99.200 -91.000 TYR 138 0.840 17.896 5.977 34.197 -99.200 -91.000 TYR 143 0.840 31.065 8.361 36.888 -99.200 -91.000 TYR 150 0.840 32.617 -0.797 41.129 -99.200 -91.000 TYR 153 0.840 35.416 10.515 44.879 -99.200 -91.000 HIS 154 0.900 39.030 8.760 45.068 -99.200 -91.000 TRP 156 1.040 31.694 5.852 40.860 -99.200 -91.000 TRP6 156 1.020 31.239 5.546 43.165 -99.200 -91.000 PHE 172 1.000 16.675 -0.125 24.950 -99.200 -91.000 TYR 173 0.840 12.704 -6.173 24.044 -99.200 -91.000