============================================================================= 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 1.000 153.114 26.814 17.274 -99.200 -91.000 PHE 4 1.000 152.898 35.548 22.030 -99.200 -91.000 TYR 27 0.840 177.589 24.591 14.389 -99.200 -91.000 TYR 43 0.840 192.922 31.335 4.756 -99.200 -91.000 TYR 47 0.840 200.973 30.107 2.356 -99.200 -91.000 TYR 49 0.840 195.254 24.649 -6.111 -99.200 -91.000 HIS 50 0.900 199.018 33.630 -3.645 -99.200 -91.000 PHE 53 1.000 201.275 34.028 -9.255 -99.200 -91.000 TYR 55 0.840 208.371 25.710 -10.730 -99.200 -91.000 PHE 56 1.000 203.935 25.464 -13.074 -99.200 -91.000 PHE 69 1.000 194.011 25.563 -12.858 -99.200 -91.000 PHE 70 1.000 198.686 25.225 -10.875 -99.200 -91.000 HIS 80 0.900 186.204 26.635 -3.099 -99.200 -91.000 TYR 87 0.840 176.955 26.285 7.880 -99.200 -91.000 PHE 107 1.000 204.902 23.282 -6.706 -99.200 -91.000 HIS 109 0.900 208.542 14.138 -11.833 -99.200 -91.000 HIS 117 0.900 205.550 16.837 -9.642 -99.200 -91.000 HIS 137 0.900 177.328 14.379 4.234 -99.200 -91.000 PHE 151 1.000 177.641 25.690 4.039 -99.200 -91.000 TYR 156 0.840 182.277 24.406 0.918 -99.200 -91.000 TYR 170 0.840 192.724 22.339 -16.896 -99.200 -91.000 HIS 181 0.900 204.799 23.206 -31.088 -99.200 -91.000 TRP 184 1.040 204.738 28.167 -25.597 -99.200 -91.000 TRP6 184 1.020 203.658 28.625 -27.644 -99.200 -91.000 HIS 185 0.900 198.770 24.370 -29.559 -99.200 -91.000 PHE 186 1.000 196.917 22.043 -20.791 -99.200 -91.000 HIS 192 0.900 195.322 33.353 -25.146 -99.200 -91.000