============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 5 1.000 19.070 74.414 11.895 -99.200 -91.000 PHE 24 1.000 16.232 73.193 7.628 -99.200 -91.000 TYR 25 0.840 9.884 68.506 10.322 -99.200 -91.000 TYR 48 0.840 3.954 71.232 6.567 -99.200 -91.000 PHE 58 1.000 21.140 83.929 9.022 -99.200 -91.000 TYR 69 0.840 15.607 92.047 13.409 -99.200 -91.000 PHE 71 1.000 11.993 89.613 5.736 -99.200 -91.000 TYR 73 0.840 4.722 82.657 5.710 -99.200 -91.000 PHE 81 1.000 0.352 82.958 12.746 -99.200 -91.000 PHE 97 1.000 23.731 76.131 14.915 -99.200 -91.000 PHE 110 1.000 25.329 84.356 14.533 -99.200 -91.000 TYR 116 0.840 24.480 73.340 10.467 -99.200 -91.000 PHE 126 1.000 15.507 77.209 2.565 -99.200 -91.000 PHE 132 1.000 23.000 94.973 5.777 -99.200 -91.000 PHE 138 1.000 21.656 102.073 1.304 -99.200 -91.000 HIS 139 0.900 21.019 98.938 9.277 -99.200 -91.000 HIS 143 0.900 9.127 108.636 11.923 -99.200 -91.000 TYR 152 0.840 17.002 95.847 7.584 -99.200 -91.000 PHE 153 1.000 17.123 101.831 0.566 -99.200 -91.000 HIS 157 0.900 14.301 90.519 -2.684 -99.200 -91.000 PHE 160 1.000 9.142 101.079 7.297 -99.200 -91.000 PHE 162 1.000 12.425 93.465 10.144 -99.200 -91.000 TYR 179 0.840 15.472 111.814 -3.689 -99.200 -91.000 PHE 187 1.000 16.447 112.077 1.750 -99.200 -91.000 TYR 199 0.840 4.952 100.415 -2.431 -99.200 -91.000 PHE 201 1.000 9.477 103.585 2.436 -99.200 -91.000 TYR 208 0.840 20.308 113.125 -2.842 -99.200 -91.000 TYR 214 0.840 18.703 99.766 -3.624 -99.200 -91.000