============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 27 1.000 -2.547 -17.993 38.920 -99.200 -91.000 TYR 32 0.840 -4.054 -22.855 41.757 -99.200 -91.000 TYR 33 0.840 -5.649 -21.004 50.700 -99.200 -91.000 TRP 36 1.040 -8.901 -10.620 49.518 -99.200 -91.000 TRP6 36 1.020 -8.318 -8.866 48.045 -99.200 -91.000 TRP 47 1.040 -5.771 -14.733 57.096 -99.200 -91.000 TRP6 47 1.020 -7.676 -15.845 57.962 -99.200 -91.000 TRP 50 1.040 -9.559 -19.133 54.519 -99.200 -91.000 TRP6 50 1.020 -7.853 -20.750 54.836 -99.200 -91.000 TYR 60 0.840 -16.072 -12.715 55.124 -99.200 -91.000 PHE 64 1.000 -10.289 -6.986 59.078 -99.200 -91.000 TYR 80 0.840 -14.771 -8.238 41.867 -99.200 -91.000 TYR 93 0.840 -7.110 -2.889 52.985 -99.200 -91.000 TYR 94 0.840 0.746 -6.127 50.496 -99.200 -91.000 HIS 100 0.900 4.295 -22.685 41.570 -99.200 -91.000 TYR 102 0.840 2.654 -17.648 41.387 -99.200 -91.000 TRP 103 1.040 2.643 -12.926 48.863 -99.200 -91.000 TRP6 103 1.020 1.499 -12.050 50.747 -99.200 -91.000 TYR 122 0.840 8.584 21.345 39.663 -99.200 -91.000 TYR 145 0.840 2.627 12.189 45.748 -99.200 -91.000 PHE 146 1.000 -4.329 13.003 50.305 -99.200 -91.000 TRP 154 1.040 15.445 7.417 38.436 -99.200 -91.000 TRP6 154 1.020 15.793 9.650 37.743 -99.200 -91.000 HIS 164 0.900 20.387 5.316 47.186 -99.200 -91.000 PHE 166 1.000 16.438 10.045 49.031 -99.200 -91.000 TYR 175 0.840 1.162 11.614 51.241 -99.200 -91.000 TRP 188 1.040 22.563 13.514 32.041 -99.200 -91.000 TRP6 188 1.020 23.530 15.442 33.018 -99.200 -91.000 HIS 199 0.900 -1.457 10.951 42.190 -99.200 -91.000