============================================================================= 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 -7.160 -32.237 -21.409 -99.200 -91.000 TRP6 13 1.020 -7.734 -34.402 -20.650 -99.200 -91.000 PHE 32 1.000 -33.670 -29.784 -7.015 -99.200 -91.000 PHE 36 1.000 -33.205 -31.889 6.975 -99.200 -91.000 TYR 37 0.840 -32.038 -36.849 7.226 -99.200 -91.000 TRP 48 1.040 -31.443 -31.285 -11.854 -99.200 -91.000 TRP6 48 1.020 -29.291 -30.310 -11.621 -99.200 -91.000 TRP 53 1.040 -22.713 -35.596 -11.563 -99.200 -91.000 TRP6 53 1.020 -21.830 -36.523 -9.568 -99.200 -91.000 HIS 70 0.900 -26.969 -43.651 1.774 -99.200 -91.000 TYR 73 0.840 -30.551 -41.087 4.863 -99.200 -91.000 TRP 91 1.040 -11.992 -48.352 -7.094 -99.200 -91.000 TRP6 91 1.020 -13.668 -47.631 -8.603 -99.200 -91.000 HIS 97 0.900 -22.955 -31.299 2.231 -99.200 -91.000 HIS 105 0.900 -35.460 -25.119 12.316 -99.200 -91.000 PHE 137 1.000 -8.892 -38.898 -16.950 -99.200 -91.000 PHE 145 1.000 -15.400 -38.232 -11.612 -99.200 -91.000 TYR 148 0.840 -19.441 -38.298 -0.283 -99.200 -91.000 TYR 165 0.840 -16.243 -47.262 -2.663 -99.200 -91.000 TYR 183 0.840 -18.123 -15.373 2.397 -99.200 -91.000 PHE 192 1.000 -4.748 -27.439 0.312 -99.200 -91.000 TYR 196 0.840 -11.976 -36.084 12.629 -99.200 -91.000 PHE 201 1.000 -5.512 -36.526 -1.262 -99.200 -91.000 TYR 204 0.840 -0.530 -35.528 -5.450 -99.200 -91.000 TYR 212 0.840 -0.277 -29.420 -13.119 -99.200 -91.000 TYR 218 0.840 -0.325 -23.663 -0.903 -99.200 -91.000 PHE 220 1.000 -1.243 -26.078 4.699 -99.200 -91.000 TYR 225 0.840 -17.233 -29.490 13.270 -99.200 -91.000 HIS 230 0.900 -13.061 -33.657 6.035 -99.200 -91.000 TRP 233 1.040 -14.481 -41.019 1.525 -99.200 -91.000 TRP6 233 1.020 -14.713 -43.149 0.522 -99.200 -91.000 HIS 234 0.900 -8.420 -39.324 9.347 -99.200 -91.000 TYR 238 0.840 -10.468 -46.759 2.202 -99.200 -91.000 PHE 244 1.000 -14.186 -24.377 4.790 -99.200 -91.000 PHE 248 1.000 -14.622 -24.497 10.732 -99.200 -91.000 TYR 251 0.840 -17.986 -21.436 8.629 -99.200 -91.000 HIS 256 0.900 -25.492 -25.703 8.384 -99.200 -91.000 HIS 271 0.900 -12.614 -18.600 -2.996 -99.200 -91.000 PHE 275 1.000 -11.559 -23.800 -3.059 -99.200 -91.000 TYR 282 0.840 -7.690 -36.201 -6.289 -99.200 -91.000