============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 4 1.000 -7.029 32.760 41.801 -99.200 -91.000 PHE 19 1.000 2.882 35.591 35.530 -99.200 -91.000 TYR 42 0.840 -4.481 33.400 21.252 -99.200 -91.000 TYR 43 0.840 -1.133 37.090 21.705 -99.200 -91.000 TYR 66 0.840 8.506 25.747 14.435 -99.200 -91.000 HIS 73 0.900 12.195 40.035 10.758 -99.200 -91.000 TRP 81 1.040 4.584 41.594 16.939 -99.200 -91.000 TRP6 81 1.020 3.394 39.980 18.192 -99.200 -91.000 HIS 89 0.900 0.020 47.665 27.092 -99.200 -91.000 TRP 100 1.040 11.164 31.842 17.554 -99.200 -91.000 TRP6 100 1.020 10.017 29.780 17.697 -99.200 -91.000 HIS 101 0.900 18.534 32.182 14.634 -99.200 -91.000 HIS 107 0.900 12.338 22.437 4.556 -99.200 -91.000 PHE 161 1.000 18.381 36.189 20.626 -99.200 -91.000 PHE 173 1.000 5.330 42.846 22.253 -99.200 -91.000 HIS 179 0.900 12.003 29.382 23.269 -99.200 -91.000 HIS 182 0.900 10.367 24.738 25.443 -99.200 -91.000 TYR 184 0.840 12.565 26.130 19.240 -99.200 -91.000 HIS 187 0.900 18.012 23.440 25.501 -99.200 -91.000 PHE 189 1.000 25.953 28.672 19.618 -99.200 -91.000 TYR 201 0.840 30.941 32.444 21.345 -99.200 -91.000 TRP 223 1.040 13.227 48.771 27.733 -99.200 -91.000 TRP6 223 1.020 11.389 47.516 26.930 -99.200 -91.000 PHE 238 1.000 12.720 20.349 28.413 -99.200 -91.000 TYR 253 0.840 28.538 29.111 34.571 -99.200 -91.000 TYR 265 0.840 9.846 36.514 32.813 -99.200 -91.000 HIS 267 0.900 8.002 30.755 31.478 -99.200 -91.000 TYR 279 0.840 12.463 21.624 37.151 -99.200 -91.000 PHE 283 1.000 17.082 22.221 39.490 -99.200 -91.000 PHE 291 1.000 16.280 34.914 38.602 -99.200 -91.000 HIS 292 0.900 19.379 36.581 44.922 -99.200 -91.000 TYR 301 0.840 3.650 24.150 37.541 -99.200 -91.000 PHE 320 1.000 -2.098 27.242 35.145 -99.200 -91.000 TYR 324 0.840 -4.350 32.153 30.352 -99.200 -91.000 PHE 348 1.000 -3.706 22.533 21.330 -99.200 -91.000 TYR 349 0.840 1.043 23.277 17.049 -99.200 -91.000 TYR 356 0.840 -5.553 32.516 17.371 -99.200 -91.000 TYR 359 0.840 -10.506 26.588 22.582 -99.200 -91.000