============================================================================= 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 11 1.000 62.297 -6.435 59.230 -99.200 -91.000 PHE 25 1.000 63.350 -16.635 50.476 -99.200 -91.000 TYR 28 0.840 62.885 -16.255 45.292 -99.200 -91.000 TRP 46 1.040 67.460 -1.100 50.272 -99.200 -91.000 TRP6 46 1.020 67.718 -3.133 51.484 -99.200 -91.000 PHE 51 1.000 61.778 15.600 50.347 -99.200 -91.000 TRP 69 1.040 80.046 6.805 45.278 -99.200 -91.000 TRP6 69 1.020 80.122 8.221 43.363 -99.200 -91.000 HIS 75 0.900 62.764 8.878 35.415 -99.200 -91.000 TYR 79 0.840 61.016 13.844 29.955 -99.200 -91.000 TRP 81 1.040 57.943 16.764 31.235 -99.200 -91.000 TRP6 81 1.020 57.774 15.334 33.098 -99.200 -91.000 PHE 85 1.000 64.942 19.422 39.461 -99.200 -91.000 HIS 97 0.900 60.213 1.530 56.406 -99.200 -91.000 TYR 102 0.840 64.880 16.883 60.645 -99.200 -91.000 TYR 116 0.840 80.076 11.388 38.663 -99.200 -91.000 HIS 118 0.900 75.405 5.112 30.263 -99.200 -91.000 TYR 121 0.840 67.948 9.940 30.570 -99.200 -91.000 TRP 123 1.040 66.876 13.299 26.809 -99.200 -91.000 TRP6 123 1.020 65.828 14.802 25.299 -99.200 -91.000 TYR 145 0.840 65.590 3.088 62.591 -99.200 -91.000 HIS 147 0.900 73.666 -2.652 56.352 -99.200 -91.000 HIS 161 0.900 65.995 -17.579 36.042 -99.200 -91.000 PHE 164 1.000 63.009 -17.420 39.919 -99.200 -91.000 TRP 171 1.040 57.183 7.964 50.996 -99.200 -91.000 TRP6 171 1.020 59.243 7.317 51.958 -99.200 -91.000 TRP 178 1.040 47.684 19.623 32.976 -99.200 -91.000 TRP6 178 1.020 49.376 19.590 31.333 -99.200 -91.000 PHE 215 1.000 63.995 -5.818 35.713 -99.200 -91.000 TYR 219 0.840 51.137 -9.566 40.945 -99.200 -91.000 PHE 238 1.000 61.696 -5.783 40.615 -99.200 -91.000 TYR 244 0.840 75.747 -18.925 47.290 -99.200 -91.000 TRP 248 1.040 66.475 -8.216 51.682 -99.200 -91.000 TRP6 248 1.020 64.387 -8.484 50.586 -99.200 -91.000 TYR 249 0.840 72.904 -9.714 45.871 -99.200 -91.000 TRP 256 1.040 60.193 3.059 30.387 -99.200 -91.000 TRP6 256 1.020 58.726 2.044 28.838 -99.200 -91.000 TYR 266 0.840 52.789 -6.869 31.799 -99.200 -91.000 PHE 268 1.000 58.133 -1.763 29.987 -99.200 -91.000 TYR 269 0.840 60.481 -2.235 37.664 -99.200 -91.000 HIS 271 0.900 69.151 -6.519 33.464 -99.200 -91.000 PHE 273 1.000 75.191 -8.697 35.843 -99.200 -91.000 TRP 278 1.040 78.255 4.951 33.408 -99.200 -91.000 TRP6 278 1.020 76.656 5.578 35.047 -99.200 -91.000