============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 1 1.000 -50.948 27.858 91.552 -99.200 -91.000 HIS 8 0.900 -50.027 27.507 80.359 -99.200 -91.000 PHE 15 1.000 -38.452 23.847 69.893 -99.200 -91.000 HIS 18 0.900 -40.893 26.751 76.540 -99.200 -91.000 PHE 65 1.000 -1.077 31.232 86.885 -99.200 -91.000 HIS 67 0.900 -2.273 40.661 82.192 -99.200 -91.000 HIS 70 0.900 4.800 30.335 88.648 -99.200 -91.000 TYR 72 0.840 -1.670 39.142 92.260 -99.200 -91.000 HIS 73 0.900 -1.848 34.493 89.099 -99.200 -91.000 PHE 87 1.000 -18.634 30.511 104.113 -99.200 -91.000 TYR 94 0.840 -16.914 22.938 102.260 -99.200 -91.000 TYR 130 0.840 13.333 51.977 68.450 -99.200 -91.000 TRP 140 1.040 9.933 45.339 71.008 -99.200 -91.000 TRP6 140 1.020 8.972 43.924 72.646 -99.200 -91.000 TYR 143 0.840 4.249 36.004 65.738 -99.200 -91.000 TYR 157 0.840 -8.552 44.074 63.504 -99.200 -91.000 PHE 171 1.000 11.535 48.294 58.216 -99.200 -91.000 PHE 181 1.000 -7.139 58.859 74.550 -99.200 -91.000 PHE 210 1.000 1.728 28.594 91.116 -99.200 -91.000 PHE 220 1.000 -11.315 27.626 83.189 -99.200 -91.000 PHE 223 1.000 -5.114 33.217 72.266 -99.200 -91.000 HIS 231 0.900 -4.068 14.515 71.535 -99.200 -91.000 HIS 253 0.900 -12.208 31.218 60.169 -99.200 -91.000 PHE 259 1.000 -16.333 22.355 69.430 -99.200 -91.000 PHE 286 1.000 -25.631 34.902 65.514 -99.200 -91.000 TYR 349 0.840 -21.051 49.175 91.688 -99.200 -91.000 HIS 358 0.900 -28.481 32.507 92.748 -99.200 -91.000 PHE 369 1.000 -40.925 23.086 74.467 -99.200 -91.000 HIS 370 0.900 -36.260 22.052 81.711 -99.200 -91.000 PHE 374 1.000 -35.024 12.610 78.295 -99.200 -91.000 TYR 400 0.840 -37.483 15.999 81.967 -99.200 -91.000 HIS 418 0.900 -18.851 14.101 85.888 -99.200 -91.000 TYR 423 0.840 -28.942 11.722 78.149 -99.200 -91.000 HIS 436 0.900 -12.709 16.094 100.788 -99.200 -91.000 HIS 443 0.900 -19.145 23.850 92.313 -99.200 -91.000 TYR 445 0.840 -19.512 17.462 84.146 -99.200 -91.000 PHE 449 1.000 -26.131 22.674 96.312 -99.200 -91.000 TRP 461 1.040 -23.592 -0.876 99.011 -99.200 -91.000 TRP6 461 1.020 -21.984 0.769 98.442 -99.200 -91.000 PHE 481 1.000 -31.124 23.176 96.599 -99.200 -91.000 PHE 482 1.000 -34.814 17.697 99.015 -99.200 -91.000 TRP 494 1.040 -28.404 -4.930 94.315 -99.200 -91.000 TRP6 494 1.020 -30.522 -4.146 95.030 -99.200 -91.000 PHE 500 1.000 -23.816 1.003 85.763 -99.200 -91.000