============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TRP 29 1.040 10.788 50.983 -6.986 -99.200 -91.000 TRP6 29 1.020 11.526 48.918 -6.122 -99.200 -91.000 TYR 43 0.840 12.491 56.331 -7.782 -99.200 -91.000 HIS 50 0.900 23.763 54.024 -0.649 -99.200 -91.000 TRP 51 1.040 20.793 59.039 -5.647 -99.200 -91.000 TRP6 51 1.020 19.001 60.571 -5.867 -99.200 -91.000 PHE 54 1.000 9.991 53.149 1.322 -99.200 -91.000 TYR 68 0.840 6.590 44.544 -7.406 -99.200 -91.000 TRP 69 1.040 14.262 44.748 -12.275 -99.200 -91.000 TRP6 69 1.020 12.810 43.055 -13.063 -99.200 -91.000 TRP 85 1.040 11.710 36.559 -7.124 -99.200 -91.000 TRP6 85 1.020 11.341 34.317 -7.787 -99.200 -91.000 PHE 93 1.000 -8.403 33.908 -8.066 -99.200 -91.000 PHE 94 1.000 -12.962 28.059 -5.092 -99.200 -91.000 PHE 109 1.000 -25.556 17.406 -12.521 -99.200 -91.000 TRP 126 1.040 -17.151 19.423 -5.196 -99.200 -91.000 TRP6 126 1.020 -17.983 20.840 -6.897 -99.200 -91.000 TRP 127 1.040 -20.332 23.456 1.661 -99.200 -91.000 TRP6 127 1.020 -21.114 22.532 3.710 -99.200 -91.000 PHE 153 1.000 -24.914 20.184 -7.286 -99.200 -91.000 HIS 158 0.900 -8.855 25.149 5.969 -99.200 -91.000 HIS 172 0.900 -31.740 26.181 -16.127 -99.200 -91.000