============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. PHE 4 1.000 80.394 9.270 -2.428 -99.200 -91.000 TRP 14 1.040 84.601 11.678 -3.937 -99.200 -91.000 TRP6 14 1.020 84.434 12.984 -1.982 -99.200 -91.000 PHE 25 1.000 67.614 35.043 12.010 -99.200 -91.000 HIS 42 0.900 66.519 1.593 2.664 -99.200 -91.000 PHE 45 1.000 73.584 2.412 -4.675 -99.200 -91.000 HIS 53 0.900 71.547 17.067 -11.989 -99.200 -91.000 HIS 59 0.900 71.187 10.989 6.832 -99.200 -91.000 PHE 75 1.000 75.569 26.745 18.683 -99.200 -91.000 TRP 90 1.040 63.615 24.709 14.985 -99.200 -91.000 TRP6 90 1.020 62.495 23.213 16.410 -99.200 -91.000 TYR 99 0.840 53.141 15.230 15.090 -99.200 -91.000 HIS 100 0.900 61.309 18.489 16.065 -99.200 -91.000 HIS 102 0.900 56.641 14.608 9.681 -99.200 -91.000 TRP 110 1.040 66.669 13.331 6.305 -99.200 -91.000 TRP6 110 1.020 65.836 11.489 5.112 -99.200 -91.000 PHE 112 1.000 72.597 18.887 7.166 -99.200 -91.000 PHE 120 1.000 78.661 11.119 3.805 -99.200 -91.000 PHE 123 1.000 84.608 24.724 4.140 -99.200 -91.000 PHE 124 1.000 77.891 20.055 7.864 -99.200 -91.000 HIS 125 0.900 72.692 26.959 5.084 -99.200 -91.000 HIS 135 0.900 77.975 25.614 22.152 -99.200 -91.000 PHE 156 1.000 68.328 6.709 22.964 -99.200 -91.000 HIS 157 0.900 60.243 9.623 17.505 -99.200 -91.000 HIS 188 0.900 69.177 4.020 28.878 -99.200 -91.000 PHE 195 1.000 61.021 -12.186 23.742 -99.200 -91.000 HIS 202 0.900 80.358 -6.932 17.164 -99.200 -91.000 TYR 210 0.840 74.298 -0.440 23.022 -99.200 -91.000 TYR 218 0.840 66.800 -15.382 8.734 -99.200 -91.000 HIS 247 0.900 55.827 -8.043 2.209 -99.200 -91.000 PHE 249 1.000 55.264 -1.274 9.446 -99.200 -91.000 TYR 267 0.840 64.364 5.961 3.388 -99.200 -91.000 TRP 281 1.040 45.551 -3.602 13.222 -99.200 -91.000 TRP6 281 1.020 44.124 -1.866 12.478 -99.200 -91.000 HIS 287 0.900 40.931 -0.703 21.344 -99.200 -91.000 HIS 289 0.900 46.177 2.191 19.839 -99.200 -91.000 HIS 291 0.900 51.758 4.783 17.647 -99.200 -91.000 PHE 310 1.000 79.289 15.560 30.927 -99.200 -91.000 TYR 311 0.840 75.204 14.516 33.546 -99.200 -91.000 HIS 322 0.900 84.023 -2.038 9.919 -99.200 -91.000 PHE 324 1.000 87.230 2.503 7.161 -99.200 -91.000 PHE 327 1.000 86.559 15.997 3.425 -99.200 -91.000 PHE 334 1.000 76.790 5.805 -0.218 -99.200 -91.000