============================================================================= 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. PHE 13 1.000 -9.862 31.683 35.575 -99.200 -91.000 PHE 21 1.000 -9.372 32.520 26.483 -99.200 -91.000 PHE 25 1.000 -13.686 23.855 27.241 -99.200 -91.000 PHE 26 1.000 -8.237 17.790 32.036 -99.200 -91.000 HIS 34 0.900 -24.650 18.917 29.642 -99.200 -91.000 PHE 38 1.000 -21.928 31.319 29.550 -99.200 -91.000 TYR 48 0.840 -22.847 23.111 25.981 -99.200 -91.000 HIS 49 0.900 -15.836 21.595 23.521 -99.200 -91.000 PHE 71 1.000 -14.104 28.559 32.418 -99.200 -91.000 PHE 99 1.000 10.171 31.646 30.806 -99.200 -91.000 PHE 103 1.000 0.160 27.184 31.582 -99.200 -91.000 HIS 112 0.900 -21.181 8.923 43.105 -99.200 -91.000 TYR 116 0.840 -14.874 20.249 45.174 -99.200 -91.000 TRP 125 1.040 -2.874 34.876 29.233 -99.200 -91.000 TRP6 125 1.020 -4.130 33.789 30.927 -99.200 -91.000