============================================================================= 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. PHE 4 1.000 36.960 31.200 104.256 -99.200 -91.000 TYR 18 0.840 43.521 14.784 110.146 -99.200 -91.000 TYR 24 0.840 46.556 18.040 121.163 -99.200 -91.000 TYR 25 0.840 41.796 10.889 118.733 -99.200 -91.000 HIS 31 0.900 36.101 21.575 114.225 -99.200 -91.000 PHE 67 1.000 38.674 26.221 105.679 -99.200 -91.000 TYR 88 0.840 42.227 42.474 111.282 -99.200 -91.000 PHE 104 1.000 41.774 26.822 110.696 -99.200 -91.000 PHE 114 1.000 54.925 32.757 117.584 -99.200 -91.000 TRP 126 1.040 56.588 44.070 105.276 -99.200 -91.000 TRP6 126 1.020 54.742 43.910 106.747 -99.200 -91.000 TRP 138 1.040 54.097 27.914 113.456 -99.200 -91.000 TRP6 138 1.020 54.612 29.755 112.064 -99.200 -91.000 TYR 139 0.840 61.067 27.158 109.914 -99.200 -91.000 PHE 153 1.000 52.818 36.998 109.084 -99.200 -91.000 TRP 158 1.040 47.603 35.461 97.787 -99.200 -91.000 TRP6 158 1.020 47.092 34.676 99.963 -99.200 -91.000 TYR 161 0.840 50.088 29.310 101.327 -99.200 -91.000