============================================================================= 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. HIS 14 0.900 29.165 36.982 3.136 -99.200 -91.000 PHE 17 1.000 26.350 34.111 -9.796 -99.200 -91.000 PHE 22 1.000 17.327 34.008 -7.643 -99.200 -91.000 PHE 26 1.000 22.601 42.386 -4.818 -99.200 -91.000 HIS 32 0.900 20.887 58.015 -5.116 -99.200 -91.000 PHE 43 1.000 10.039 54.093 8.291 -99.200 -91.000 PHE 48 1.000 4.624 42.951 5.685 -99.200 -91.000 PHE 94 1.000 16.620 33.910 3.423 -99.200 -91.000 TYR 100 0.840 4.505 37.450 3.454 -99.200 -91.000 TRP 102 1.040 2.340 39.902 -0.907 -99.200 -91.000 TRP6 102 1.020 3.795 41.175 0.456 -99.200 -91.000 TYR 117 0.840 14.178 42.756 -15.114 -99.200 -91.000 HIS 118 0.900 12.247 38.890 -11.663 -99.200 -91.000 PHE 133 1.000 1.075 46.621 1.795 -99.200 -91.000 PHE 138 1.000 6.435 51.014 -6.152 -99.200 -91.000 TYR 157 0.840 -4.356 57.611 -19.186 -99.200 -91.000 HIS 166 0.900 -10.487 51.493 -8.182 -99.200 -91.000 HIS 167 0.900 -6.720 49.403 -6.054 -99.200 -91.000 PHE 174 1.000 14.891 59.672 -4.908 -99.200 -91.000 PHE 181 1.000 19.650 50.813 -8.821 -99.200 -91.000 PHE 182 1.000 28.894 45.105 -9.025 -99.200 -91.000 TRP 188 1.040 19.127 57.214 -16.124 -99.200 -91.000 TRP6 188 1.020 19.598 59.039 -14.685 -99.200 -91.000 PHE 206 1.000 -9.123 49.052 -12.601 -99.200 -91.000 PHE 213 1.000 -6.310 52.361 -21.954 -99.200 -91.000 TYR 229 0.840 -17.662 46.041 -21.804 -99.200 -91.000 PHE 257 1.000 -11.454 54.343 -19.367 -99.200 -91.000