============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 47.096 27.995 16.391 -99.200 -91.000 TRP6 14 1.020 48.259 30.027 16.807 -99.200 -91.000 PHE 19 1.000 35.095 18.415 3.844 -99.200 -91.000 TRP 37 1.040 55.145 15.324 12.006 -99.200 -91.000 TRP6 37 1.020 54.474 13.093 12.401 -99.200 -91.000 HIS 43 0.900 37.158 12.809 20.868 -99.200 -91.000 TYR 47 0.840 33.652 6.178 21.734 -99.200 -91.000 TRP 49 1.040 29.193 6.393 19.831 -99.200 -91.000 TRP6 49 1.020 29.544 8.725 19.873 -99.200 -91.000 PHE 53 1.000 36.066 8.578 10.287 -99.200 -91.000 HIS 65 0.900 37.254 33.958 9.184 -99.200 -91.000 TYR 70 0.840 38.529 25.146 -2.959 -99.200 -91.000 TYR 84 0.840 52.631 7.848 13.090 -99.200 -91.000 HIS 86 0.900 49.707 7.280 24.514 -99.200 -91.000 TYR 89 0.840 41.305 6.748 22.309 -99.200 -91.000 TRP 91 1.040 38.958 2.296 22.583 -99.200 -91.000 TRP6 91 1.020 37.175 0.790 22.719 -99.200 -91.000 PHE 110 1.000 54.810 26.536 8.274 -99.200 -91.000 TYR 113 0.840 45.214 34.781 4.926 -99.200 -91.000 HIS 115 0.900 53.841 31.085 11.887 -99.200 -91.000 TYR 132 0.840 47.867 32.109 35.628 -99.200 -91.000 TRP 139 1.040 35.277 26.457 11.246 -99.200 -91.000 TRP6 139 1.020 37.458 25.627 11.119 -99.200 -91.000 TRP 146 1.040 19.912 23.426 16.271 -99.200 -91.000 TRP6 146 1.020 22.019 22.413 16.573 -99.200 -91.000 PHE 184 1.000 44.013 21.871 30.279 -99.200 -91.000 TYR 188 0.840 34.298 32.472 32.132 -99.200 -91.000 PHE 207 1.000 42.545 25.978 27.411 -99.200 -91.000 PHE 213 1.000 57.044 37.339 31.906 -99.200 -91.000 TRP 217 1.040 49.168 33.363 20.284 -99.200 -91.000 TRP6 217 1.020 47.247 33.611 21.618 -99.200 -91.000 TYR 218 0.840 54.727 28.691 24.351 -99.200 -91.000 TRP 225 1.040 36.448 13.681 28.801 -99.200 -91.000 TRP6 225 1.020 35.142 14.102 30.728 -99.200 -91.000 TYR 235 0.840 33.501 23.449 35.985 -99.200 -91.000 PHE 237 1.000 36.869 17.078 32.948 -99.200 -91.000 TYR 238 0.840 39.451 22.058 27.011 -99.200 -91.000 HIS 240 0.900 48.815 18.623 31.412 -99.200 -91.000 PHE 242 1.000 55.557 19.567 29.947 -99.200 -91.000 TRP 247 1.040 52.774 8.652 21.492 -99.200 -91.000 TRP6 247 1.020 51.188 9.903 20.298 -99.200 -91.000 PHE 255 1.000 66.884 16.797 16.403 -99.200 -91.000