============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 91 rings ring int. center anis. iso. TRP 13 1.040 -51.689 25.607 42.689 -99.200 -91.000 TRP6 13 1.020 -50.340 27.380 43.500 -99.200 -91.000 PHE 17 1.000 -55.038 20.648 38.600 -99.200 -91.000 TYR 23 0.840 -44.440 19.452 35.037 -99.200 -91.000 TYR 36 0.840 -47.876 40.981 32.812 -99.200 -91.000 PHE 38 1.000 -43.594 42.354 27.673 -99.200 -91.000 TRP 46 1.040 -30.789 53.529 29.720 -99.200 -91.000 TRP6 46 1.020 -29.773 51.602 30.653 -99.200 -91.000 TRP 73 1.040 -49.990 24.252 37.046 -99.200 -91.000 TRP6 73 1.020 -50.138 22.565 38.697 -99.200 -91.000 HIS 93 0.900 -38.479 31.290 22.868 -99.200 -91.000 TRP 94 1.040 -43.830 34.492 24.785 -99.200 -91.000 TRP6 94 1.020 -43.916 36.585 25.903 -99.200 -91.000 HIS 95 0.900 -34.816 29.887 27.430 -99.200 -91.000 HIS 104 0.900 -50.264 33.060 20.224 -99.200 -91.000 TYR 124 0.840 -45.608 37.372 20.897 -99.200 -91.000 TRP 126 1.040 -47.224 32.983 26.812 -99.200 -91.000 TRP6 126 1.020 -46.728 32.528 29.072 -99.200 -91.000 TYR 131 0.840 -45.602 23.378 39.213 -99.200 -91.000 TRP 135 1.040 -34.659 33.116 30.048 -99.200 -91.000 TRP6 135 1.020 -33.199 34.451 28.738 -99.200 -91.000 TYR 136 0.840 -40.359 39.104 29.211 -99.200 -91.000 HIS 137 0.900 -34.647 34.969 24.561 -99.200 -91.000 HIS 139 0.900 -34.723 33.243 19.308 -99.200 -91.000 PHE 140 1.000 -34.918 41.939 13.871 -99.200 -91.000 TYR 144 0.840 -30.688 37.307 24.675 -99.200 -91.000 TYR 162 0.840 -41.267 28.375 49.105 -99.200 -91.000 PHE 169 1.000 -30.232 37.815 43.384 -99.200 -91.000 TYR 174 0.840 -24.389 47.029 31.513 -99.200 -91.000 TYR 175 0.840 -21.013 41.382 26.694 -99.200 -91.000 TYR 176 0.840 -19.301 49.437 30.076 -99.200 -91.000 HIS 184 0.900 -18.592 44.059 11.599 -99.200 -91.000 PHE 185 1.000 -14.419 41.962 18.677 -99.200 -91.000 PHE 193 1.000 -12.457 37.320 30.192 -99.200 -91.000 TYR 213 0.840 -20.879 45.724 46.045 -99.200 -91.000 HIS 224 0.900 -35.127 33.960 53.786 -99.200 -91.000 HIS 236 0.900 -22.168 29.417 29.179 -99.200 -91.000 PHE 237 1.000 -23.213 35.038 34.768 -99.200 -91.000 HIS 244 0.900 -25.675 32.080 54.615 -99.200 -91.000 PHE 265 1.000 -21.966 26.120 34.088 -99.200 -91.000 TYR 272 0.840 -29.629 24.828 38.558 -99.200 -91.000 TYR 285 0.840 -23.192 35.748 56.370 -99.200 -91.000 TRP 286 1.040 -18.361 39.935 49.928 -99.200 -91.000 TRP6 286 1.020 -19.164 41.984 49.053 -99.200 -91.000 PHE 287 1.000 -25.817 34.899 44.533 -99.200 -91.000 PHE 291 1.000 -17.465 34.806 34.613 -99.200 -91.000 HIS 304 0.900 -12.578 39.289 43.013 -99.200 -91.000 PHE 309 1.000 -28.399 36.716 48.840 -99.200 -91.000 HIS 310 0.900 -28.735 43.896 56.409 -99.200 -91.000 TYR 311 0.840 -28.454 35.966 58.164 -99.200 -91.000 HIS 329 0.900 -19.980 24.181 39.786 -99.200 -91.000 PHE 350 1.000 -28.226 6.876 20.170 -99.200 -91.000 PHE 370 1.000 -13.661 33.083 14.812 -99.200 -91.000 TRP 372 1.040 -20.087 29.074 15.852 -99.200 -91.000 TRP6 372 1.020