============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 67 rings ring int. center anis. iso. PHE 2 1.000 9.139 -33.054 -19.801 -99.200 -91.000 TYR 8 0.840 15.372 -27.750 -16.642 -99.200 -91.000 PHE 9 1.000 17.834 -34.848 -11.095 -99.200 -91.000 TRP 22 1.040 18.310 -19.403 4.887 -99.200 -91.000 TRP6 22 1.020 17.628 -17.502 6.095 -99.200 -91.000 PHE 23 1.000 19.384 -28.227 10.650 -99.200 -91.000 HIS 24 0.900 24.771 -26.285 8.762 -99.200 -91.000 PHE 29 1.000 16.656 -15.075 12.133 -99.200 -91.000 TRP 47 1.040 16.349 -35.982 -5.101 -99.200 -91.000 TRP6 47 1.020 15.361 -37.644 -3.745 -99.200 -91.000 PHE 50 1.000 13.308 -31.101 -11.548 -99.200 -91.000 TYR 54 0.840 18.259 -39.118 -15.580 -99.200 -91.000 TYR 56 0.840 7.818 -41.049 -19.108 -99.200 -91.000 TYR 60 0.840 8.217 -45.582 -20.912 -99.200 -91.000 TYR 61 0.840 11.654 -39.604 -23.934 -99.200 -91.000 PHE 62 1.000 19.733 -47.026 -21.299 -99.200 -91.000 TYR 69 0.840 28.106 -43.879 -18.581 -99.200 -91.000 HIS 70 0.900 28.568 -44.854 -23.626 -99.200 -91.000 PHE 75 1.000 31.969 -37.256 -17.540 -99.200 -91.000 PHE 77 1.000 26.053 -30.474 -17.473 -99.200 -91.000 TYR 93 0.840 21.156 -37.206 10.851 -99.200 -91.000 TRP 95 1.040 11.679 -32.752 9.655 -99.200 -91.000 TRP6 95 1.020 11.979 -31.745 7.540 -99.200 -91.000 TRP 105 1.040 25.682 -45.214 4.268 -99.200 -91.000 TRP6 105 1.020 28.046 -45.076 4.162 -99.200 -91.000 PHE 114 1.000 28.575 -40.448 -13.667 -99.200 -91.000 TRP 123 1.040 42.678 -40.344 -16.163 -99.200 -91.000 TRP6 123 1.020 43.724 -41.257 -14.274 -99.200 -91.000 PHE 128 1.000 38.578 -33.940 -21.667 -99.200 -91.000 HIS 134 0.900 32.344 -27.390 -22.124 -99.200 -91.000 PHE 137 1.000 37.008 -33.676 -15.100 -99.200 -91.000 TYR 138 0.840 36.136 -27.245 -11.469 -99.200 -91.000 PHE 146 1.000 35.578 -30.465 -2.280 -99.200 -91.000 TYR 157 0.840 29.895 -44.132 9.267 -99.200 -91.000 HIS 158 0.900 32.840 -36.416 12.328 -99.200 -91.000 TYR 162 0.840 39.168 -34.735 8.113 -99.200 -91.000 PHE 164 1.000 33.858 -40.996 -0.292 -99.200 -91.000 PHE 165 1.000 38.309 -31.272 2.412 -99.200 -91.000 TRP 172 1.040 39.464 -26.537 -7.080 -99.200 -91.000 TRP6 172 1.020 39.763 -25.494 -4.980 -99.200 -91.000 PHE 175 1.000 38.911 -29.990 -15.408 -99.200 -91.000 HIS 182 0.900 39.240 -25.102 -23.636 -99.200 -91.000 PHE 192 1.000 28.389 -25.649 -24.706 -99.200 -91.000 PHE 204 1.000 32.952 -19.013 -1.830 -99.200 -91.000 TYR 210 0.840 39.141 -27.957 6.805 -99.200 -91.000 HIS 215 0.900 34.363 -32.607 14.956 -99.200 -91.000 TRP 226 1.040 34.704 -18.061 3.228 -99.200 -91.000 TRP6 226 1.020 33.904 -16.342 4.637 -99.200 -91.000 TYR 228 0.840 41.414 -19.731 -6.437 -99.200 -91.000 PHE 230 1.000 34.636 -14.183 0.372 -99.200 -91.000 PHE 234 1.000 35.639 -9.766 -4.583 -99.200 -91.000 PHE 235 1.000 39.822 -13.051 -10.969 -99.200 -91.000 PHE 240 1.000 25.249 -12.360 -14.355 -99.200 -91.000 TRP 242 1.040 32.223 -13.414 -22.432 -99.200 -91.000 TRP6 242 1.020 32.637