============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 21 0.840 23.896 18.862 -6.779 -99.200 -91.000 HIS 42 0.900 20.313 12.749 1.063 -99.200 -91.000 HIS 48 0.900 27.559 21.798 11.293 -99.200 -91.000 PHE 57 1.000 22.368 24.299 20.465 -99.200 -91.000 PHE 61 1.000 28.170 20.615 20.774 -99.200 -91.000 TRP 62 1.040 23.049 19.064 12.901 -99.200 -91.000 TRP6 62 1.020 21.307 17.707 13.718 -99.200 -91.000 TYR 65 0.840 15.578 18.090 19.181 -99.200 -91.000 TYR 70 0.840 12.956 20.642 -0.537 -99.200 -91.000 HIS 95 0.900 23.176 14.726 6.405 -99.200 -91.000 TYR 96 0.840 18.376 19.837 10.399 -99.200 -91.000 PHE 110 1.000 10.658 20.273 -10.594 -99.200 -91.000 TYR 115 0.840 17.109 23.457 -10.919 -99.200 -91.000 PHE 119 1.000 18.512 24.893 2.609 -99.200 -91.000 TYR 120 0.840 10.767 29.364 2.284 -99.200 -91.000 PHE 129 1.000 16.876 22.081 22.088 -99.200 -91.000 HIS 132 0.900 18.451 25.167 31.668 -99.200 -91.000 TRP 142 1.040 15.404 29.027 20.596 -99.200 -91.000 TRP6 142 1.020 17.407 28.090 19.734 -99.200 -91.000 PHE 143 1.000 16.563 30.541 14.319 -99.200 -91.000 PHE 146 1.000 17.337 32.110 9.444 -99.200 -91.000 TYR 150 0.840 22.118 28.370 0.303 -99.200 -91.000 PHE 152 1.000 21.342 24.106 -7.156 -99.200 -91.000 TYR 154 0.840 20.375 18.359 -11.321 -99.200 -91.000