============================================================================= 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. HIS 6 0.900 22.845 -65.561 40.676 -99.200 -91.000 TRP 31 1.040 25.989 -55.266 20.267 -99.200 -91.000 TRP6 31 1.020 27.397 -56.544 21.651 -99.200 -91.000 TRP 49 1.040 26.003 -70.506 23.700 -99.200 -91.000 TRP6 49 1.020 27.101 -68.448 24.066 -99.200 -91.000 TYR 59 0.840 29.276 -64.419 22.497 -99.200 -91.000 PHE 63 1.000 21.296 -59.819 33.824 -99.200 -91.000 TYR 68 0.840 11.811 -57.810 39.302 -99.200 -91.000 PHE 69 1.000 13.286 -52.840 40.223 -99.200 -91.000 PHE 77 1.000 19.798 -43.047 36.559 -99.200 -91.000 PHE 78 1.000 20.546 -48.215 36.787 -99.200 -91.000 PHE 85 1.000 29.219 -62.522 28.716 -99.200 -91.000 HIS 86 0.900 36.990 -59.148 26.383 -99.200 -91.000 HIS 93 0.900 28.709 -72.169 34.149 -99.200 -91.000 TYR 94 0.840 32.849 -67.724 29.550 -99.200 -91.000 HIS 95 0.900 26.995 -67.998 38.383 -99.200 -91.000 TYR 103 0.840 15.722 -44.788 41.574 -99.200 -91.000 TYR 105 0.840 23.494 -51.989 36.804 -99.200 -91.000 TYR 108 0.840 29.055 -61.259 41.170 -99.200 -91.000