============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 16 1.000 43.721 -17.168 64.389 -99.200 -91.000 PHE 19 1.000 42.182 -13.239 73.145 -99.200 -91.000 HIS 37 0.900 35.607 -29.613 69.452 -99.200 -91.000 TYR 38 0.840 36.275 -23.188 71.655 -99.200 -91.000 TYR 49 0.840 41.183 -22.144 73.533 -99.200 -91.000 PHE 51 1.000 36.760 -21.837 78.712 -99.200 -91.000 PHE 55 1.000 31.996 -13.502 87.018 -99.200 -91.000 TYR 64 0.840 22.616 -21.078 86.127 -99.200 -91.000 PHE 76 1.000 36.802 -18.465 84.073 -99.200 -91.000 PHE 83 1.000 41.112 -28.592 79.352 -99.200 -91.000 HIS 92 0.900 28.935 -7.370 83.429 -99.200 -91.000 HIS 95 0.900 31.806 -6.561 94.634 -99.200 -91.000 PHE 112 1.000 25.278 -2.845 76.884 -99.200 -91.000 PHE 137 1.000 28.223 3.372 74.080 -99.200 -91.000 PHE 150 1.000 41.618 0.082 81.360 -99.200 -91.000 HIS 151 0.900 48.502 3.699 78.004 -99.200 -91.000 PHE 167 1.000 24.140 0.818 58.656 -99.200 -91.000 TYR 169 0.840 15.901 3.851 66.115 -99.200 -91.000 PHE 179 1.000 38.941 -4.792 62.575 -99.200 -91.000 PHE 193 1.000 35.484 -8.934 63.514 -99.200 -91.000 HIS 197 0.900 29.487 -11.225 72.044 -99.200 -91.000 PHE 223 1.000 35.646 -12.228 72.803 -99.200 -91.000 HIS 227 0.900 25.091 -23.532 69.040 -99.200 -91.000 HIS 233 0.900 29.143 -29.816 63.079 -99.200 -91.000 PHE 238 1.000 35.126 -19.466 62.012 -99.200 -91.000