============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TYR 2 0.840 39.460 -43.479 49.718 -99.200 -91.000 TYR 9 0.840 32.149 -34.412 48.845 -99.200 -91.000 TRP 10 1.040 36.884 -33.175 47.565 -99.200 -91.000 TRP6 10 1.020 36.112 -31.627 49.174 -99.200 -91.000 TYR 14 0.840 35.295 -25.186 41.245 -99.200 -91.000 TYR 21 0.840 21.987 -15.010 41.700 -99.200 -91.000 TRP 23 1.040 19.857 -11.918 48.375 -99.200 -91.000 TRP6 23 1.020 21.375 -10.440 47.331 -99.200 -91.000 TYR 24 0.840 17.174 -15.212 50.623 -99.200 -91.000 TYR 30 0.840 32.773 -14.067 45.949 -99.200 -91.000 TYR 45 0.840 32.594 -17.764 41.600 -99.200 -91.000 PHE 49 1.000 28.562 -13.882 41.814 -99.200 -91.000 TYR 59 0.840 20.606 -12.727 37.145 -99.200 -91.000 PHE 84 1.000 26.751 -27.599 34.739 -99.200 -91.000 HIS 97 0.900 20.220 -31.229 30.110 -99.200 -91.000 TRP 98 1.040 24.557 -25.240 30.593 -99.200 -91.000 TRP6 98 1.020 25.096 -23.589 28.989 -99.200 -91.000 TYR 104 0.840 40.549 -33.015 39.485 -99.200 -91.000 TYR 106 0.840 42.486 -34.209 45.358 -99.200 -91.000 PHE 124 1.000 38.603 -30.268 43.832 -99.200 -91.000 TYR 129 0.840 33.775 -24.097 36.002 -99.200 -91.000