============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 2 1.000 72.906 92.378 14.794 -99.200 -91.000 HIS 4 0.900 77.308 99.381 10.066 -99.200 -91.000 TRP 14 1.040 74.960 76.613 3.242 -99.200 -91.000 TRP6 14 1.020 73.037 76.753 4.567 -99.200 -91.000 TRP 32 1.040 81.834 89.068 -5.932 -99.200 -91.000 TRP6 32 1.020 83.321 87.245 -5.651 -99.200 -91.000 TYR 34 0.840 84.064 81.763 -8.319 -99.200 -91.000 HIS 38 0.900 74.495 82.403 -10.554 -99.200 -91.000 TYR 51 0.840 74.591 77.611 -9.109 -99.200 -91.000 TYR 55 0.840 62.159 78.687 -2.675 -99.200 -91.000 PHE 57 1.000 68.209 86.846 -5.650 -99.200 -91.000 TYR 64 0.840 76.498 94.745 -4.571 -99.200 -91.000 PHE 84 1.000 85.939 74.512 -7.190 -99.200 -91.000 PHE 86 1.000 87.710 79.720 2.675 -99.200 -91.000 HIS 87 0.900 95.315 80.423 -1.309 -99.200 -91.000 TRP 105 1.040 84.788 78.825 7.073 -99.200 -91.000 TRP6 105 1.020 86.109 80.135 8.517 -99.200 -91.000 HIS 118 0.900 91.270 76.953 11.985 -99.200 -91.000 PHE 159 1.000 82.113 86.996 12.946 -99.200 -91.000 HIS 168 0.900 68.100 80.831 17.307 -99.200 -91.000 PHE 172 1.000 69.369 78.969 9.128 -99.200 -91.000 TYR 175 0.840 69.965 75.183 18.358 -99.200 -91.000 PHE 228 1.000 94.607 67.028 11.534 -99.200 -91.000 PHE 258 1.000 80.329 61.724 -8.490 -99.200 -91.000 TYR 283 0.840 86.067 69.961 -6.878 -99.200 -91.000 HIS 289 0.900 93.968 59.075 -0.414 -99.200 -91.000 HIS 295 0.900 98.633 65.433 9.338 -99.200 -91.000 PHE 303 1.000 93.549 56.452 2.573 -99.200 -91.000 HIS 306 0.900 92.606 59.355 -4.049 -99.200 -91.000 HIS 310 0.900 91.761 60.984 -8.003 -99.200 -91.000