============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 27 0.840 44.983 25.585 -12.668 -99.200 -91.000 PHE 29 1.000 50.343 26.948 -8.715 -99.200 -91.000 TYR 32 0.840 42.678 29.941 -13.983 -99.200 -91.000 HIS 35 0.900 40.710 34.026 -4.072 -99.200 -91.000 TRP 36 1.040 44.709 28.708 0.799 -99.200 -91.000 TRP6 36 1.020 44.969 26.396 1.242 -99.200 -91.000 TRP 47 1.040 39.000 35.448 0.594 -99.200 -91.000 TRP6 47 1.020 40.285 37.308 1.259 -99.200 -91.000 TYR 50 0.840 44.208 37.787 -3.735 -99.200 -91.000 TYR 60 0.840 48.408 37.023 4.105 -99.200 -91.000 PHE 64 1.000 40.185 34.657 9.963 -99.200 -91.000 TYR 80 0.840 53.189 24.257 -0.079 -99.200 -91.000 TYR 92 0.840 41.153 26.040 8.078 -99.200 -91.000 TYR 93 0.840 35.539 23.252 1.609 -99.200 -91.000 TYR 104 0.840 37.175 23.020 -12.444 -99.200 -91.000 TRP 105 1.040 34.847 25.878 -4.852 -99.200 -91.000 TRP6 105 1.020 34.880 27.118 -2.836 -99.200 -91.000 TYR 124 0.840 33.135 -2.875 17.327 -99.200 -91.000 TYR 140 0.840 35.738 8.544 13.814 -99.200 -91.000 PHE 141 1.000 40.722 13.781 18.423 -99.200 -91.000 TRP 149 1.040 27.933 0.749 2.797 -99.200 -91.000 TRP6 149 1.020 27.709 -1.052 4.331 -99.200 -91.000 HIS 159 0.900 19.492 6.610 4.378 -99.200 -91.000 PHE 161 1.000 22.346 7.358 10.141 -99.200 -91.000 TYR 170 0.840 34.850 13.627 16.614 -99.200 -91.000 HIS 194 0.900 40.968 8.024 11.888 -99.200 -91.000