============================================================================= 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 10 0.840 -64.403 -94.240 38.249 -99.200 -91.000 TYR 25 0.840 -63.382 -72.053 39.650 -99.200 -91.000 PHE 26 1.000 -71.065 -66.570 34.989 -99.200 -91.000 HIS 28 0.900 -66.774 -68.525 45.015 -99.200 -91.000 PHE 32 1.000 -63.821 -63.085 44.014 -99.200 -91.000 TRP 35 1.040 -68.215 -57.691 47.222 -99.200 -91.000 TRP6 35 1.020 -67.472 -59.834 47.893 -99.200 -91.000 TYR 45 0.840 -66.487 -64.970 31.864 -99.200 -91.000 HIS 46 0.900 -59.127 -68.562 31.509 -99.200 -91.000 HIS 54 0.900 -61.392 -78.791 32.313 -99.200 -91.000 TYR 58 0.840 -65.079 -84.981 32.369 -99.200 -91.000 PHE 64 1.000 -66.780 -92.745 20.226 -99.200 -91.000 TYR 107 0.840 -62.851 -99.022 35.802 -99.200 -91.000 HIS 112 0.900 -56.545-103.107 28.348 -99.200 -91.000 TYR 114 0.840 -54.868 -98.228 27.143 -99.200 -91.000 HIS 130 0.900 -58.934 -74.590 36.358 -99.200 -91.000 TRP 133 1.040 -54.959 -67.537 39.891 -99.200 -91.000 TRP6 133 1.020 -57.104 -67.120 40.811 -99.200 -91.000 TYR 149 0.840 -55.551 -61.153 47.122 -99.200 -91.000