============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. PHE 17 1.000 19.094 -12.554 63.154 -99.200 -91.000 PHE 22 1.000 27.604 -23.946 68.686 -99.200 -91.000 PHE 24 1.000 18.387 -21.387 74.558 -99.200 -91.000 TRP 36 1.040 15.637 -31.900 78.531 -99.200 -91.000 TRP6 36 1.020 16.328 -30.205 77.033 -99.200 -91.000 PHE 42 1.000 6.595 -30.001 75.262 -99.200 -91.000 PHE 55 1.000 16.525 -18.243 68.919 -99.200 -91.000 TYR 59 0.840 8.268 -19.520 60.168 -99.200 -91.000 PHE 78 1.000 13.328 -23.334 63.679 -99.200 -91.000 TYR 91 0.840 6.590 -28.530 70.512 -99.200 -91.000 HIS 95 0.900 5.044 -22.612 69.767 -99.200 -91.000 TRP 100 1.040 3.858 -18.406 58.163 -99.200 -91.000 TRP6 100 1.020 2.741 -19.736 56.561 -99.200 -91.000 PHE 105 1.000 -2.658 -19.070 54.929 -99.200 -91.000 HIS 112 0.900 -2.853 -7.934 66.666 -99.200 -91.000 PHE 114 1.000 -6.617 -18.388 69.043 -99.200 -91.000 PHE 124 1.000 5.457 -24.637 75.421 -99.200 -91.000 TYR 127 0.840 0.292 -29.143 60.511 -99.200 -91.000 HIS 151 0.900 -19.815 -22.866 70.126 -99.200 -91.000 TYR 152 0.840 -17.118 -24.964 61.813 -99.200 -91.000 PHE 160 1.000 1.802 -41.913 63.825 -99.200 -91.000 TYR 170 0.840 -3.979 -29.627 71.385 -99.200 -91.000 PHE 198 1.000 -5.005 -33.885 74.733 -99.200 -91.000 TRP 207 1.040 11.744 -36.031 66.247 -99.200 -91.000 TRP6 207 1.020 9.993 -34.845 65.180 -99.200 -91.000 PHE 217 1.000 -10.360 -33.054 67.793 -99.200 -91.000 PHE 235 1.000 -4.353 -31.189 51.459 -99.200 -91.000 HIS 258 0.900 28.600 -27.971 61.487 -99.200 -91.000 HIS 267 0.900 35.875 -41.588 68.757 -99.200 -91.000 PHE 274 1.000 44.485 -52.142 64.885 -99.200 -91.000 TYR 283 0.840 36.087 -47.057 54.907 -99.200 -91.000 PHE 286 1.000 40.604 -41.393 50.437 -99.200 -91.000 PHE 326 1.000 21.501 -33.726 48.560 -99.200 -91.000 PHE 332 1.000 19.514 -42.774 59.224 -99.200 -91.000 HIS 342 0.900 31.593 -40.995 67.656 -99.200 -91.000 TYR 345 0.840 34.100 -46.550 73.564 -99.200 -91.000 TYR 347 0.840 23.741 -50.474 69.780 -99.200 -91.000 TYR 351 0.840 30.794 -42.006 73.936 -99.200 -91.000 TYR 356 0.840 23.709 -34.827 67.565 -99.200 -91.000 HIS 363 0.900 14.551 -34.670 61.622 -99.200 -91.000