============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 61 rings ring int. center anis. iso. TRP 7 1.040 14.844 -16.916 41.836 -99.200 -91.000 TRP6 7 1.020 14.823 -14.984 43.204 -99.200 -91.000 PHE 8 1.000 16.074 -15.484 48.294 -99.200 -91.000 PHE 11 1.000 21.059 -21.430 53.898 -99.200 -91.000 TRP 22 1.040 4.178 -14.310 52.848 -99.200 -91.000 TRP6 22 1.020 4.493 -12.713 54.564 -99.200 -91.000 TRP 28 1.040 17.729 -8.578 52.562 -99.200 -91.000 TRP6 28 1.020 18.270 -6.551 53.655 -99.200 -91.000 TYR 32 0.840 20.567 -9.671 42.837 -99.200 -91.000 TYR 40 0.840 11.913 -18.599 33.951 -99.200 -91.000 TYR 41 0.840 11.699 -13.614 34.713 -99.200 -91.000 PHE 53 1.000 -0.029 8.194 38.271 -99.200 -91.000 TYR 58 0.840 5.645 16.100 43.898 -99.200 -91.000 HIS 61 0.900 11.916 21.111 42.488 -99.200 -91.000 TYR 62 0.840 11.321 15.659 43.213 -99.200 -91.000 PHE 66 1.000 11.102 7.092 38.034 -99.200 -91.000 HIS 73 0.900 21.601 2.463 36.950 -99.200 -91.000 PHE 74 1.000 11.910 -1.154 35.635 -99.200 -91.000 HIS 78 0.900 15.191 -9.330 30.507 -99.200 -91.000 PHE 82 1.000 11.359 3.676 31.230 -99.200 -91.000 TYR 83 0.840 2.820 1.453 30.387 -99.200 -91.000 PHE 103 1.000 8.287 8.696 25.746 -99.200 -91.000 PHE 106 1.000 -1.410 6.830 28.445 -99.200 -91.000 TRP 114 1.040 -0.014 17.427 49.980 -99.200 -91.000 TRP6 114 1.020 0.534 15.348 50.968 -99.200 -91.000 HIS 128 0.900 -3.735 5.087 31.908 -99.200 -91.000 HIS 132 0.900 -2.189 1.583 28.432 -99.200 -91.000 HIS 135 0.900 -5.329 -6.258 26.440 -99.200 -91.000 PHE 139 1.000 6.523 -10.797 35.842 -99.200 -91.000 PHE 141 1.000 8.701 -3.825 40.231 -99.200 -91.000 PHE 149 1.000 14.843 2.950 38.607 -99.200 -91.000 PHE 153 1.000 13.970 -1.823 41.200 -99.200 -91.000 TRP 168 1.040 12.960 6.696 57.387 -99.200 -91.000 TRP6 168 1.020 11.106 8.166 57.350 -99.200 -91.000 TRP 169 1.040 9.015 3.043 60.024 -99.200 -91.000 TRP6 169 1.020 9.248 3.799 62.251 -99.200 -91.000 TYR 170 0.840 16.578 -2.654 57.572 -99.200 -91.000 PHE 177 1.000 6.388 -2.757 61.273 -99.200 -91.000 TYR 179 0.840 1.251 -1.807 59.977 -99.200 -91.000 TYR 188 0.840 -7.913 -0.783 63.617 -99.200 -91.000 PHE 191 1.000 -0.832 0.362 68.312 -99.200 -91.000 PHE 196 1.000 8.518 -8.393 56.708 -99.200 -91.000 TYR 197 0.840 4.827 1.754 57.142 -99.200 -91.000 TYR 198 0.840 4.821 -5.109 53.099 -99.200 -91.000 HIS 199 0.900 8.779 4.383 50.588 -99.200 -91.000 PHE 203 1.000 1.797 -0.067 43.892 -99.200 -91.000 PHE 218 1.000 -9.979 5.672 43.846 -99.200 -91.000 TRP 233 1.040 2.307 7.944 57.631 -99.200 -91.000 TRP6 233 1.020 3.696 9.745 56.965 -99.200 -91.000 HIS 234 0.900 -1.723 11.209 53.076 -99.200 -91.000 HIS 238 0.900 -6.669 3.532 52.373 -99.200 -91.000 TYR 242 0.840 -3.920 -5.958 47.955 -99.200 -91.000 PHE 243 1.000 1.706 -5.258 48.962 -99.200 -91.000 TYR 256 0.840 16.447 -4.552 44.879 -99.200 -91.000 TRP 258 1.040 19.88