============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 17 1.000 139.021 9.554 71.558 -99.200 -91.000 HIS 44 0.900 135.084 10.622 63.227 -99.200 -91.000 PHE 105 1.000 126.605 -7.502 78.815 -99.200 -91.000 HIS 109 0.900 122.745 4.102 67.684 -99.200 -91.000 PHE 115 1.000 112.976 -6.382 48.814 -99.200 -91.000 TYR 138 0.840 96.793 -4.203 68.787 -99.200 -91.000 PHE 147 1.000 95.992 8.145 67.653 -99.200 -91.000 HIS 169 0.900 99.791 -15.008 69.542 -99.200 -91.000 TYR 172 0.840 108.963 -14.521 77.637 -99.200 -91.000 PHE 175 1.000 106.008 1.132 79.286 -99.200 -91.000 TYR 189 0.840 109.391 -2.231 89.735 -99.200 -91.000 HIS 190 0.900 106.282 -0.112 93.356 -99.200 -91.000 TYR 211 0.840 110.359 2.809 83.761 -99.200 -91.000 TYR 234 0.840 118.222 -13.090 73.688 -99.200 -91.000 PHE 235 1.000 113.110 -11.632 75.407 -99.200 -91.000 PHE 246 1.000 102.755 -2.934 75.307 -99.200 -91.000 PHE 251 1.000 105.660 15.791 70.521 -99.200 -91.000 PHE 253 1.000 112.377 8.020 68.059 -99.200 -91.000 TYR 273 0.840 108.183 18.740 64.916 -99.200 -91.000 TYR 303 0.840 100.564 15.895 73.255 -99.200 -91.000 PHE 318 1.000 98.923 10.241 62.715 -99.200 -91.000 HIS 320 0.900 107.786 4.805 59.556 -99.200 -91.000 TYR 337 0.840 85.412 1.192 82.145 -99.200 -91.000 HIS 359 0.900 88.356 -10.640 61.929 -99.200 -91.000 TYR 360 0.840 85.521 -6.637 54.724 -99.200 -91.000 TYR 373 0.840 72.131 2.624 69.578 -99.200 -91.000 PHE 397 1.000 79.896 -11.240 73.096 -99.200 -91.000 PHE 402 1.000 91.084 -5.940 79.321 -99.200 -91.000 PHE 408 1.000 90.096 -1.471 91.555 -99.200 -91.000 HIS 411 0.900 83.089 -10.058 86.245 -99.200 -91.000 PHE 425 1.000 81.232 -8.654 69.188 -99.200 -91.000 TYR 433 0.840 72.568 -16.211 71.742 -99.200 -91.000 HIS 435 0.900 63.313 -16.392 73.136 -99.200 -91.000 PHE 441 1.000 73.913 -10.802 74.609 -99.200 -91.000 TYR 442 0.840 78.581 -3.661 81.850 -99.200 -91.000