============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 11 0.840 20.749 -2.565 -10.177 -99.200 -91.000 HIS 14 0.900 31.060 -1.115 -14.980 -99.200 -91.000 PHE 23 1.000 26.407 4.101 -18.031 -99.200 -91.000 TYR 27 0.840 14.890 -5.234 -13.250 -99.200 -91.000 PHE 31 1.000 6.314 -2.183 -14.109 -99.200 -91.000 HIS 32 0.900 -0.439 -6.603 -16.273 -99.200 -91.000 HIS 52 0.900 12.358 4.208 -21.445 -99.200 -91.000 PHE 57 1.000 5.032 -10.030 -22.087 -99.200 -91.000 TRP 61 1.040 0.866 -13.944 -18.427 -99.200 -91.000 TRP6 61 1.020 1.349 -14.184 -20.727 -99.200 -91.000 PHE 63 1.000 3.515 -5.157 -18.990 -99.200 -91.000 TYR 64 0.840 12.000 -7.528 -18.072 -99.200 -91.000 TYR 67 0.840 12.588 4.251 -16.427 -99.200 -91.000 TYR 68 0.840 20.247 2.706 -19.625 -99.200 -91.000 PHE 71 1.000 26.206 6.790 -10.063 -99.200 -91.000 TYR 79 0.840 23.969 10.204 -7.488 -99.200 -91.000 HIS 85 0.900 1.903 0.226 -11.377 -99.200 -91.000 TRP 96 1.040 23.646 3.302 -5.289 -99.200 -91.000 TRP6 96 1.020 25.632 4.607 -5.310 -99.200 -91.000