============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. TYR 10 0.840 -64.429 -94.247 38.304 -99.200 -91.000 TYR 25 0.840 -63.420 -72.105 39.771 -99.200 -91.000 PHE 26 1.000 -70.958 -66.598 35.090 -99.200 -91.000 HIS 28 0.900 -66.658 -68.535 44.994 -99.200 -91.000 PHE 32 1.000 -63.771 -63.008 44.152 -99.200 -91.000 TRP 35 1.040 -68.164 -57.690 47.371 -99.200 -91.000 TRP6 35 1.020 -67.415 -59.828 48.062 -99.200 -91.000 TYR 45 0.840 -66.296 -64.893 31.906 -99.200 -91.000 HIS 46 0.900 -60.912 -64.903 31.130 -99.200 -91.000 HIS 54 0.900 -61.520 -78.762 32.333 -99.200 -91.000 TYR 58 0.840 -65.110 -85.001 32.362 -99.200 -91.000 PHE 64 1.000 -66.849 -92.684 20.287 -99.200 -91.000 TYR 107 0.840 -62.814 -99.085 35.865 -99.200 -91.000 HIS 112 0.900 -56.462-103.180 28.330 -99.200 -91.000 TYR 114 0.840 -54.855 -98.239 27.216 -99.200 -91.000 HIS 130 0.900 -58.935 -74.478 36.631 -99.200 -91.000 PHE 133 1.000 -56.030 -67.525 40.542 -99.200 -91.000 TYR 149 0.840 -55.498 -61.141 47.271 -99.200 -91.000