============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TRP 22 1.040 12.899 -37.085 -9.502 -99.200 -91.000 TRP6 22 1.020 14.857 -38.061 -8.594 -99.200 -91.000 TRP 24 1.040 10.707 -42.693 -6.284 -99.200 -91.000 TRP6 24 1.020 12.614 -43.401 -7.490 -99.200 -91.000 PHE 34 1.000 -6.470 -28.835 -2.417 -99.200 -91.000 HIS 35 0.900 -0.039 -32.777 -4.231 -99.200 -91.000 PHE 36 1.000 -4.640 -35.793 0.595 -99.200 -91.000 TRP 46 1.040 1.005 -53.206 -0.396 -99.200 -91.000 TRP6 46 1.020 0.025 -52.922 1.740 -99.200 -91.000 HIS 52 0.900 2.399 -35.011 8.161 -99.200 -91.000 PHE 66 1.000 7.079 -32.317 -15.642 -99.200 -91.000 PHE 84 1.000 -3.178 -52.150 5.757 -99.200 -91.000 TYR 89 0.840 1.215 -39.321 13.577 -99.200 -91.000 PHE 109 1.000 5.553 -50.577 -10.462 -99.200 -91.000 PHE 125 1.000 20.759 -45.062 3.547 -99.200 -91.000 TRP 136 1.040 3.585 -32.011 -8.651 -99.200 -91.000 TRP6 136 1.020 3.530 -34.376 -8.468 -99.200 -91.000 TYR 141 0.840 5.075 -19.345 5.212 -99.200 -91.000 TYR 164 0.840 16.299 -24.127 14.111 -99.200 -91.000 TRP 165 1.040 14.144 -28.636 13.879 -99.200 -91.000 TRP6 165 1.020 12.361 -27.088 14.066 -99.200 -91.000 TRP 200 1.040 18.009 -42.400 -7.670 -99.200 -91.000 TRP6 200 1.020 19.034 -40.580 -6.563 -99.200 -91.000 TRP 208 1.040 8.514 -32.743 12.471 -99.200 -91.000 TRP6 208 1.020 9.837 -31.258 13.759 -99.200 -91.000 TYR 221 0.840 13.116 -34.769 4.874 -99.200 -91.000 TRP 230 1.040 3.996 -50.555 10.903 -99.200 -91.000 TRP6 230 1.020 3.411 -49.208 9.048 -99.200 -91.000