============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 13 1.040 31.511 9.911 9.791 -99.200 -91.000 TRP6 13 1.020 33.661 10.518 10.589 -99.200 -91.000 PHE 32 1.000 42.688 -14.291 24.202 -99.200 -91.000 PHE 36 1.000 44.240 -12.858 38.172 -99.200 -91.000 TYR 37 0.840 47.866 -9.322 38.466 -99.200 -91.000 TRP 48 1.040 42.774 -11.564 19.242 -99.200 -91.000 TRP6 48 1.020 40.848 -10.257 19.530 -99.200 -91.000 TRP 53 1.040 42.178 -1.831 19.578 -99.200 -91.000 TRP6 53 1.020 42.545 -0.626 21.575 -99.200 -91.000 HIS 70 0.900 51.283 -1.484 32.965 -99.200 -91.000 TYR 73 0.840 50.871 -5.887 36.067 -99.200 -91.000 TRP 91 1.040 47.800 13.902 24.135 -99.200 -91.000 TRP6 91 1.020 48.025 12.085 22.641 -99.200 -91.000 HIS 97 0.900 38.515 -4.214 33.403 -99.200 -91.000 HIS 105 0.900 39.603 -18.003 43.563 -99.200 -91.000 PHE 137 1.000 38.184 11.703 14.319 -99.200 -91.000 PHE 145 1.000 40.786 5.776 19.606 -99.200 -91.000 TYR 148 0.840 42.933 2.329 30.978 -99.200 -91.000 TYR 165 0.840 48.993 9.661 28.540 -99.200 -91.000 TYR 183 0.840 22.236 -7.916 33.529 -99.200 -91.000 PHE 192 1.000 26.115 9.599 31.477 -99.200 -91.000 TYR 196 0.840 37.180 7.673 43.750 -99.200 -91.000 PHE 201 1.000 34.354 13.603 29.893 -99.200 -91.000 TYR 204 0.840 30.966 17.368 25.679 -99.200 -91.000 TYR 212 0.840 25.499 14.451 18.067 -99.200 -91.000 TYR 218 0.840 20.601 11.585 30.249 -99.200 -91.000 PHE 220 1.000 23.164 11.884 35.896 -99.200 -91.000 TYR 225 0.840 34.069 -0.139 44.432 -99.200 -91.000 HIS 230 0.900 35.570 5.843 37.280 -99.200 -91.000 TRP 233 1.040 42.716 8.035 32.725 -99.200 -91.000 TRP6 233 1.020 44.701 8.909 31.729 -99.200 -91.000 HIS 234 0.900 38.428 12.308 40.770 -99.200 -91.000 TYR 238 0.840 45.650 14.362 33.418 -99.200 -91.000 PHE 244 1.000 28.151 -0.074 35.923 -99.200 -91.000 PHE 248 1.000 28.478 -0.432 41.700 -99.200 -91.000 TYR 251 0.840 27.443 -4.871 39.819 -99.200 -91.000 HIS 256 0.900 34.903 -9.198 39.476 -99.200 -91.000 HIS 271 0.900 22.320 -1.554 28.081 -99.200 -91.000 PHE 275 1.000 26.473 1.925 28.022 -99.200 -91.000 TYR 282 0.840 35.153 11.472 24.880 -99.200 -91.000