============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 11 1.000 9.386 9.246 13.878 -99.200 -91.000 PHE 26 1.000 14.955 13.962 17.290 -99.200 -91.000 TRP 42 1.040 8.526 -7.716 15.920 -99.200 -91.000 TRP6 42 1.020 6.391 -7.889 16.919 -99.200 -91.000 TYR 45 0.840 16.625 1.669 17.817 -99.200 -91.000 HIS 46 0.900 10.557 5.622 25.698 -99.200 -91.000 HIS 49 0.900 13.755 17.423 20.452 -99.200 -91.000 PHE 80 1.000 -2.874 -5.808 17.635 -99.200 -91.000 PHE 100 1.000 5.219 4.842 -10.563 -99.200 -91.000 PHE 111 1.000 6.508 13.085 -3.428 -99.200 -91.000 PHE 118 1.000 -2.905 -3.028 1.494 -99.200 -91.000 HIS 119 0.900 1.579 -2.046 -5.641 -99.200 -91.000 PHE 128 1.000 -15.428 -10.452 -0.252 -99.200 -91.000 TYR 131 0.840 -10.587 -6.408 3.134 -99.200 -91.000 PHE 139 1.000 -4.813 13.982 12.260 -99.200 -91.000 TYR 188 0.840 -6.817 -3.725 8.181 -99.200 -91.000 PHE 199 1.000 1.132 6.443 5.754 -99.200 -91.000 PHE 217 1.000 20.633 2.612 -5.068 -99.200 -91.000 PHE 238 1.000 4.281 22.321 12.189 -99.200 -91.000