============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. HIS 10 0.900 41.520 71.287 76.036 -99.200 -91.000 TRP 15 1.040 45.358 71.669 89.782 -99.200 -91.000 TRP6 15 1.020 46.768 70.247 91.052 -99.200 -91.000 TRP 37 1.040 27.482 66.362 77.215 -99.200 -91.000 TRP6 37 1.020 28.042 64.534 78.615 -99.200 -91.000 TRP 39 1.040 28.905 67.425 64.092 -99.200 -91.000 TRP6 39 1.020 29.935 69.057 62.728 -99.200 -91.000 HIS 41 0.900 32.969 66.424 61.418 -99.200 -91.000 TYR 50 0.840 24.663 59.344 68.488 -99.200 -91.000 TRP 55 1.040 26.028 54.793 66.562 -99.200 -91.000 TRP6 55 1.020 28.161 55.810 66.713 -99.200 -91.000 TYR 77 0.840 35.124 73.334 76.351 -99.200 -91.000 TYR 81 0.840 29.016 71.176 74.311 -99.200 -91.000 PHE 94 1.000 19.261 70.167 84.103 -99.200 -91.000 TYR 108 0.840 36.520 63.349 81.381 -99.200 -91.000 TYR 116 0.840 41.662 62.903 80.075 -99.200 -91.000 PHE 119 1.000 44.285 65.888 90.953 -99.200 -91.000 PHE 126 1.000 39.759 67.378 94.895 -99.200 -91.000 PHE 128 1.000 34.250 69.561 96.445 -99.200 -91.000 TYR 144 0.840 32.418 61.340 88.398 -99.200 -91.000 PHE 145 1.000 39.861 62.868 92.299 -99.200 -91.000 TYR 157 0.840 42.118 51.071 74.110 -99.200 -91.000 TYR 166 0.840 39.692 67.258 69.695 -99.200 -91.000 TYR 170 0.840 33.202 58.550 82.380 -99.200 -91.000 PHE 181 1.000 33.656 57.296 68.246 -99.200 -91.000 TRP 191 1.040 23.019 53.468 69.535 -99.200 -91.000 TRP6 191 1.020 24.641 54.194 71.098 -99.200 -91.000 HIS 205 0.900 31.666 45.699 72.361 -99.200 -91.000 TRP 215 1.040 29.436 67.678 96.169 -99.200 -91.000 TRP6 215 1.020 28.983 67.843 98.483 -99.200 -91.000 HIS 227 0.900 30.260 53.422 93.064 -99.200 -91.000 TYR 246 0.840 24.441 53.683 81.124 -99.200 -91.000 TYR 251 0.840 23.126 44.903 92.063 -99.200 -91.000 TRP 262 1.040 28.697 58.858 106.152 -99.200 -91.000 TRP6 262 1.020 29.748 57.520 107.796 -99.200 -91.000 TYR 265 0.840 16.985 63.272 104.802 -99.200 -91.000 PHE 272 1.000 26.486 67.606 108.186 -99.200 -91.000 TYR 273 0.840 24.014 68.989 101.577 -99.200 -91.000 PHE 279 1.000 17.911 71.329 106.209 -99.200 -91.000 PHE 293 1.000 40.251 59.815 99.200 -99.200 -91.000 TYR 302 0.840 38.369 69.163 107.374 -99.200 -91.000 TYR 303 0.840 30.657 67.706 105.095 -99.200 -91.000 PHE 310 1.000 29.481 72.759 111.110 -99.200 -91.000 TYR 320 0.840 30.704 52.956 111.524 -99.200 -91.000 TYR 329 0.840 29.074 53.420 106.435 -99.200 -91.000 PHE 337 1.000 21.196 51.700 105.491 -99.200 -91.000 PHE 342 1.000 32.771 48.826 99.459 -99.200 -91.000 PHE 351 1.000 37.803 53.431 95.822 -99.200 -91.000 TRP 366 1.040 25.036 62.995 86.753 -99.200 -91.000 TRP6 366 1.020 23.861 60.943 86.922 -99.200 -91.000 TYR 369 0.840 17.115 61.875 79.985 -99.200 -91.000 TYR 370 0.840 19.604 54.691 81.559 -99.200 -91.000 TRP 375 1.040 20.458 57.077 91.806 -99.200 -91.000 TRP6 375 1.020 22.566 58.058 92.268 -99.200 -91.000 TYR 380 0.840