============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. TYR 5 0.840 63.784 23.668 40.220 -99.200 -91.000 TYR 10 0.840 58.793 30.975 27.713 -99.200 -91.000 TYR 41 0.840 42.248 23.810 10.347 -99.200 -91.000 PHE 52 1.000 53.233 25.321 9.549 -99.200 -91.000 TYR 58 0.840 62.219 37.318 17.131 -99.200 -91.000 HIS 92 0.900 70.223 20.581 7.720 -99.200 -91.000 TYR 94 0.840 66.224 14.612 7.019 -99.200 -91.000 TYR 104 0.840 69.231 11.148 16.607 -99.200 -91.000 HIS 105 0.900 71.246 6.998 14.563 -99.200 -91.000 TYR 120 0.840 62.368 14.678 18.088 -99.200 -91.000 TRP 128 1.040 60.845 7.166 24.723 -99.200 -91.000 TRP6 128 1.020 61.842 8.916 25.991 -99.200 -91.000 HIS 144 0.900 49.371 9.482 24.656 -99.200 -91.000 HIS 152 0.900 66.735 14.793 28.903 -99.200 -91.000 TYR 153 0.840 61.302 23.058 29.828 -99.200 -91.000