============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TRP 14 1.040 10.855 48.013 58.918 -99.200 -91.000 TRP6 14 1.020 11.164 48.646 61.180 -99.200 -91.000 PHE 19 1.000 -2.678 43.362 44.958 -99.200 -91.000 TRP 37 1.040 10.512 60.569 48.661 -99.200 -91.000 TRP6 37 1.020 11.028 60.076 46.404 -99.200 -91.000 HIS 43 0.900 15.085 42.065 41.708 -99.200 -91.000 TYR 47 0.840 16.041 40.316 35.361 -99.200 -91.000 TRP 49 1.040 12.317 36.630 34.328 -99.200 -91.000 TRP6 49 1.020 12.131 36.378 36.665 -99.200 -91.000 PHE 53 1.000 5.539 45.000 36.654 -99.200 -91.000 HIS 65 0.900 0.501 39.323 61.076 -99.200 -91.000 TYR 70 0.840 -9.486 46.216 52.328 -99.200 -91.000 TYR 84 0.840 11.601 59.742 41.082 -99.200 -91.000 HIS 86 0.900 22.109 54.065 41.138 -99.200 -91.000 TYR 89 0.840 18.583 47.375 37.657 -99.200 -91.000 TRP 91 1.040 19.015 45.376 32.630 -99.200 -91.000 TRP6 91 1.020 18.930 43.684 30.987 -99.200 -91.000 PHE 110 1.000 4.841 57.949 59.145 -99.200 -91.000 TYR 113 0.840 -2.010 47.879 63.784 -99.200 -91.000 HIS 115 0.900 7.117 55.039 63.412 -99.200 -91.000 TYR 132 0.840 28.540 42.930 64.705 -99.200 -91.000 TRP 139 1.040 3.121 39.157 53.571 -99.200 -91.000 TRP6 139 1.020 3.462 41.493 53.440 -99.200 -91.000 TRP 146 1.040 13.927 22.192 44.985 -99.200 -91.000 TRP6 146 1.020 15.765 20.807 45.551 -99.200 -91.000 PHE 184 1.000 24.413 43.653 53.110 -99.200 -91.000 TYR 188 0.840 21.980 31.026 60.551 -99.200 -91.000 PHE 207 1.000 20.632 41.705 56.460 -99.200 -91.000 PHE 213 1.000 26.615 51.356 68.998 -99.200 -91.000 TRP 217 1.040 14.192 47.292 64.992 -99.200 -91.000 TRP6 217 1.020 15.004 45.105 64.636 -99.200 -91.000 TYR 218 0.840 20.043 53.388 62.405 -99.200 -91.000 TRP 225 1.040 22.688 39.021 43.114 -99.200 -91.000 TRP6 225 1.020 24.128 37.145 43.105 -99.200 -91.000 TYR 235 0.840 27.038 31.692 52.029 -99.200 -91.000 PHE 237 1.000 25.818 37.233 46.696 -99.200 -91.000 TYR 238 0.840 20.106 39.805 51.918 -99.200 -91.000 HIS 240 0.900 26.929 48.396 51.912 -99.200 -91.000 PHE 242 1.000 27.105 54.283 54.612 -99.200 -91.000 TRP 247 1.040 20.040 57.446 42.731 -99.200 -91.000 TRP6 247 1.020 18.315 55.892 43.193 -99.200 -91.000