============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 1 1.000 211.885 82.104 1.998 -99.200 -91.000 PHE 4 1.000 210.325 90.339 -3.225 -99.200 -91.000 TYR 27 0.840 222.143 68.178 -15.476 -99.200 -91.000 TYR 43 0.840 218.944 58.114 -31.655 -99.200 -91.000 TYR 47 0.840 221.530 52.160 -36.997 -99.200 -91.000 TYR 49 0.840 216.060 45.799 -29.126 -99.200 -91.000 HIS 50 0.900 214.494 50.633 -37.849 -99.200 -91.000 PHE 53 1.000 211.453 45.860 -39.894 -99.200 -91.000 TYR 55 0.840 218.141 37.162 -39.882 -99.200 -91.000 PHE 56 1.000 214.564 37.501 -36.317 -99.200 -91.000 PHE 69 1.000 210.093 41.965 -28.770 -99.200 -91.000 PHE 70 1.000 213.985 41.252 -32.082 -99.200 -91.000 HIS 80 0.900 212.840 53.014 -23.516 -99.200 -91.000 TYR 87 0.840 216.424 64.826 -16.244 -99.200 -91.000 PHE 107 1.000 220.768 40.360 -35.763 -99.200 -91.000 HIS 109 0.900 224.084 30.212 -32.585 -99.200 -91.000 HIS 117 0.900 222.732 34.602 -32.088 -99.200 -91.000 HIS 137 0.900 219.860 55.927 -8.753 -99.200 -91.000 PHE 151 1.000 214.422 61.343 -16.503 -99.200 -91.000 TYR 156 0.840 214.910 56.436 -19.072 -99.200 -91.000 TYR 170 0.840 208.698 37.888 -25.686 -99.200 -91.000 HIS 181 0.900 203.995 22.855 -35.736 -99.200 -91.000 TRP 184 1.040 205.021 29.481 -38.807 -99.200 -91.000 TRP6 184 1.020 202.849 28.720 -38.269 -99.200 -91.000 HIS 185 0.900 201.620 27.197 -31.789 -99.200 -91.000 PHE 186 1.000 208.142 33.127 -28.809 -99.200 -91.000 HIS 192 0.900 197.998 36.863 -34.801 -99.200 -91.000