============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. TYR 3 0.840 41.796 43.443 33.771 -99.200 -91.000 PHE 29 1.000 38.880 24.508 35.151 -99.200 -91.000 HIS 31 0.900 37.023 35.292 38.608 -99.200 -91.000 PHE 35 1.000 32.892 43.102 33.447 -99.200 -91.000 PHE 41 1.000 32.382 49.289 25.208 -99.200 -91.000 HIS 50 0.900 45.253 53.659 20.868 -99.200 -91.000 HIS 56 0.900 39.134 48.824 11.774 -99.200 -91.000 TRP 60 1.040 39.195 39.858 10.145 -99.200 -91.000 TRP6 60 1.020 40.343 38.347 11.547 -99.200 -91.000 PHE 61 1.000 36.758 37.853 15.804 -99.200 -91.000 TYR 70 0.840 38.739 44.901 8.145 -99.200 -91.000 HIS 72 0.900 48.953 42.792 8.047 -99.200 -91.000 TRP 79 1.040 43.853 37.792 15.333 -99.200 -91.000 TRP6 79 1.020 43.969 35.618 16.249 -99.200 -91.000 TRP 82 1.040 49.587 32.586 16.806 -99.200 -91.000 TRP6 82 1.020 49.648 34.723 17.812 -99.200 -91.000 TYR 93 0.840 38.307 33.535 17.836 -99.200 -91.000 TRP 97 1.040 31.908 33.983 15.881 -99.200 -91.000 TRP6 97 1.020 31.963 36.238 16.610 -99.200 -91.000 TRP 100 1.040 29.319 24.159 12.691 -99.200 -91.000 TRP6 100 1.020 30.349 24.411 14.800 -99.200 -91.000 HIS 107 0.900 29.874 26.460 4.137 -99.200 -91.000 TRP 132 1.040 35.667 23.142 21.236 -99.200 -91.000 TRP6 132 1.020 37.828 23.980 21.654 -99.200 -91.000 HIS 146 0.900 37.066 35.507 21.356 -99.200 -91.000 PHE 148 1.000 28.635 27.281 24.064 -99.200 -91.000 PHE 149 1.000 29.154 34.741 20.914 -99.200 -91.000 PHE 151 1.000 24.353 37.513 21.990 -99.200 -91.000 TYR 152 0.840 18.107 35.529 30.525 -99.200 -91.000 TYR 163 0.840 33.809 27.931 29.372 -99.200 -91.000 PHE 170 1.000 49.692 43.461 31.638 -99.200 -91.000 PHE 175 1.000 43.245 45.002 23.701 -99.200 -91.000 TYR 180 0.840 32.710 37.711 22.708 -99.200 -91.000 HIS 185 0.900 26.353 48.974 24.357 -99.200 -91.000 PHE 198 1.000 30.912 40.216 28.558 -99.200 -91.000 TRP 200 1.040 35.517 36.630 30.663 -99.200 -91.000 TRP6 200 1.020 36.823 35.607 32.346 -99.200 -91.000 HIS 206 0.900 46.534 31.829 30.692 -99.200 -91.000 TYR 208 0.840 51.419 33.483 29.057 -99.200 -91.000 HIS 211 0.900 52.587 39.222 30.266 -99.200 -91.000 HIS 216 0.900 53.750 42.323 41.508 -99.200 -91.000 PHE 239 1.000 25.767 39.769 9.081 -99.200 -91.000 TYR 241 0.840 26.002 48.287 13.684 -99.200 -91.000 PHE 243 1.000 37.761 53.489 14.008 -99.200 -91.000 PHE 246 1.000 30.593 50.566 16.397 -99.200 -91.000 TYR 251 0.840 39.647 54.573 27.761 -99.200 -91.000 HIS 254 0.900 45.550 55.347 36.305 -99.200 -91.000