============================================================================= 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 5 1.000 54.585 -0.972 33.200 -99.200 -91.000 TYR 18 0.840 48.411 -18.146 24.392 -99.200 -91.000 HIS 20 0.900 43.947 -23.387 32.841 -99.200 -91.000 HIS 24 0.900 42.855 -27.227 30.367 -99.200 -91.000 TRP 29 1.040 37.767 -14.877 20.913 -99.200 -91.000 TRP6 29 1.020 35.669 -15.865 20.380 -99.200 -91.000 TRP 42 1.040 51.693 -11.797 22.892 -99.200 -91.000 TRP6 42 1.020 51.681 -11.349 25.223 -99.200 -91.000 TYR 43 0.840 58.457 -8.559 27.540 -99.200 -91.000 TYR 51 0.840 50.435 -0.745 21.484 -99.200 -91.000 TYR 65 0.840 48.930 -13.471 29.926 -99.200 -91.000 PHE 68 1.000 47.193 -1.183 25.620 -99.200 -91.000 TRP 71 1.040 39.212 -4.418 17.574 -99.200 -91.000 TRP6 71 1.020 37.644 -3.079 16.401 -99.200 -91.000 PHE 74 1.000 41.575 -3.557 7.929 -99.200 -91.000 PHE 77 1.000 39.467 -0.150 12.252 -99.200 -91.000 TYR 79 0.840 44.497 8.381 17.692 -99.200 -91.000 HIS 83 0.900 40.543 -6.961 27.716 -99.200 -91.000 TYR 86 0.840 43.095 -14.912 28.565 -99.200 -91.000 HIS 88 0.900 49.210 -20.814 37.629 -99.200 -91.000 HIS 91 0.900 48.206 -18.349 42.186 -99.200 -91.000 HIS 114 0.900 38.289 8.457 21.449 -99.200 -91.000 HIS 130 0.900 35.558 -6.996 29.702 -99.200 -91.000 HIS 131 0.900 27.283 -5.004 30.807 -99.200 -91.000 PHE 135 1.000 35.847 -2.307 28.951 -99.200 -91.000 PHE 147 1.000 37.110 -26.066 24.052 -99.200 -91.000 TRP 150 1.040 28.416 -23.451 13.845 -99.200 -91.000 TRP6 150 1.020 30.186 -23.122 12.308 -99.200 -91.000 PHE 155 1.000 34.457 -7.205 18.415 -99.200 -91.000 HIS 162 0.900 41.743 13.421 24.133 -99.200 -91.000