============================================================================= 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 2 1.000 197.896 74.994 -78.683 -99.200 -91.000 PHE 5 1.000 188.922 76.476 -82.647 -99.200 -91.000 TYR 28 0.840 198.077 50.319 -77.983 -99.200 -91.000 TYR 44 0.840 190.796 34.871 -69.017 -99.200 -91.000 TYR 48 0.840 191.479 26.629 -67.260 -99.200 -91.000 TYR 50 0.840 198.002 31.228 -58.999 -99.200 -91.000 HIS 51 0.900 188.550 28.304 -60.817 -99.200 -91.000 PHE 54 1.000 188.475 25.674 -55.383 -99.200 -91.000 TYR 56 0.840 196.240 17.911 -55.087 -99.200 -91.000 PHE 57 1.000 197.018 22.135 -52.504 -99.200 -91.000 PHE 70 1.000 197.724 31.967 -51.989 -99.200 -91.000 PHE 71 1.000 197.528 27.568 -54.454 -99.200 -91.000 HIS 81 0.900 196.663 40.532 -61.084 -99.200 -91.000 TYR 88 0.840 196.903 50.519 -71.410 -99.200 -91.000 PHE 108 1.000 198.563 21.512 -59.206 -99.200 -91.000 HIS 110 0.900 207.937 16.861 -54.949 -99.200 -91.000 HIS 118 0.900 205.181 20.167 -56.767 -99.200 -91.000 HIS 138 0.900 208.870 49.171 -68.562 -99.200 -91.000 PHE 152 1.000 197.731 49.280 -67.818 -99.200 -91.000 TYR 157 0.840 198.877 44.563 -64.880 -99.200 -91.000 TYR 171 0.840 201.340 32.825 -48.155 -99.200 -91.000 HIS 182 0.900 200.610 19.700 -34.847 -99.200 -91.000 TRP 185 1.040 195.315 20.574 -39.876 -99.200 -91.000 TRP6 185 1.020 195.128 21.518 -37.721 -99.200 -91.000 HIS 186 0.900 199.894 25.837 -35.820 -99.200 -91.000 PHE 187 1.000 201.599 28.321 -44.592 -99.200 -91.000 HIS 193 0.900 190.739 30.367 -39.261 -99.200 -91.000