============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 69 rings ring int. center anis. iso. TRP 13 1.040 16.670 -8.545 22.639 -99.200 -91.000 TRP6 13 1.020 17.410 -6.883 21.126 -99.200 -91.000 HIS 15 0.900 16.186 -0.632 18.682 -99.200 -91.000 TRP 16 1.040 12.696 2.886 23.039 -99.200 -91.000 TRP6 16 1.020 13.699 4.308 21.433 -99.200 -91.000 PHE 19 1.000 21.570 -2.748 22.798 -99.200 -91.000 PHE 38 1.000 18.068 -4.614 15.461 -99.200 -91.000 TRP 50 1.040 18.385 -15.834 25.051 -99.200 -91.000 TRP6 50 1.020 17.475 -15.155 27.125 -99.200 -91.000 TYR 55 0.840 11.845 -15.012 25.884 -99.200 -91.000 TYR 57 0.840 6.958 -12.970 16.177 -99.200 -91.000 TRP 64 1.040 13.210 0.863 10.971 -99.200 -91.000 TRP6 64 1.020 12.916 0.730 8.625 -99.200 -91.000 PHE 82 1.000 19.511 -1.294 10.523 -99.200 -91.000 HIS 84 0.900 25.823 -6.258 3.961 -99.200 -91.000 TYR 92 0.840 22.448 -13.905 10.134 -99.200 -91.000 HIS 94 0.900 12.095 -14.599 7.588 -99.200 -91.000 TYR 103 0.840 8.868 2.560 16.084 -99.200 -91.000 PHE 114 1.000 15.599 8.727 12.262 -99.200 -91.000 PHE 118 1.000 -1.872 11.481 6.884 -99.200 -91.000 TYR 120 0.840 4.448 8.582 1.575 -99.200 -91.000 TYR 121 0.840 -1.563 5.188 7.261 -99.200 -91.000 PHE 128 1.000 7.118 -1.753 7.134 -99.200 -91.000 TRP 131 1.040 12.214 -4.637 2.579 -99.200 -91.000 TRP6 131 1.020 12.087 -2.733 3.978 -99.200 -91.000 PHE 138 1.000 1.386 2.149 11.799 -99.200 -91.000 TYR 142 0.840 6.566 14.190 16.071 -99.200 -91.000 TYR 153 0.840 -2.364 3.045 15.902 -99.200 -91.000 HIS 155 0.900 -5.449 3.233 4.579 -99.200 -91.000 TYR 169 0.840 -1.537 -2.952 13.047 -99.200 -91.000 TRP 173 1.040 -6.812 3.196 18.425 -99.200 -91.000 TRP6 173 1.020 -7.941 1.760 16.926 -99.200 -91.000 TYR 176 0.840 0.688 8.125 21.285 -99.200 -91.000 TRP 178 1.040 -4.091 7.238 30.731 -99.200 -91.000 TRP6 178 1.020 -3.032 8.972 31.930 -99.200 -91.000 PHE 180 1.000 -8.216 14.666 30.125 -99.200 -91.000 TYR 185 0.840 -9.089 -1.066 25.915 -99.200 -91.000 TYR 191 0.840 -10.062 -2.224 12.462 -99.200 -91.000 HIS 194 0.900 1.484 -7.697 20.571 -99.200 -91.000 TRP 195 1.040 -4.943 -3.757 23.645 -99.200 -91.000 TRP6 195 1.020 -5.871 -5.579 22.463 -99.200 -91.000 PHE 198 1.000 -2.287 1.331 31.731 -99.200 -91.000 TRP 205 1.040 10.075 -1.250 43.089 -99.200 -91.000 TRP6 205 1.020 8.761 -3.130 42.510 -99.200 -91.000 TRP 214 1.040 -1.362 4.653 36.144 -99.200 -91.000 TRP6 214 1.020 -3.384 5.870 35.944 -99.200 -91.000 PHE 217 1.000 -7.820 3.974 39.125 -99.200 -91.000 TRP 231 1.040 -2.224 -11.984 23.356 -99.200 -91.000 TRP6 231 1.020 -3.315 -13.503 24.798 -99.200 -91.000 PHE 242 1.000 23.193 -1.538 32.475 -99.200 -91.000 TRP 246 1.040 16.725 -12.791 42.284 -99.200 -91.000 TRP6 246 1.020 16.902 -13.448 40.019 -99.200 -91.000 TRP 256 1.040 5.586 -7.700 31.564 -99.200 -91.000 TRP6 256 1.020 5.398 -6.103 33.312 -99.200 -91.000 PHE 264 1.000