============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TRP 9 1.040 41.588 15.382 7.327 -99.200 -91.000 TRP6 9 1.020 42.329 13.471 8.468 -99.200 -91.000 TYR 10 0.840 45.469 17.164 -0.103 -99.200 -91.000 PHE 17 1.000 37.008 15.942 5.054 -99.200 -91.000 TYR 31 0.840 35.526 15.954 -0.942 -99.200 -91.000 TYR 42 0.840 31.368 21.589 -6.010 -99.200 -91.000 TYR 48 0.840 33.369 15.950 16.846 -99.200 -91.000 TRP 63 1.040 32.365 14.702 4.300 -99.200 -91.000 TRP6 63 1.020 33.854 13.120 5.208 -99.200 -91.000 TRP 67 1.040 28.897 16.184 -5.468 -99.200 -91.000 TRP6 67 1.020 31.138 16.681 -4.953 -99.200 -91.000 TYR 71 0.840 33.154 29.445 -10.043 -99.200 -91.000 HIS 75 0.900 20.937 19.769 -11.692 -99.200 -91.000 TRP 80 1.040 33.069 10.895 1.208 -99.200 -91.000 TRP6 80 1.020 32.310 12.832 0.139 -99.200 -91.000 TYR 84 0.840 40.750 11.351 14.062 -99.200 -91.000 TRP 96 1.040 32.490 7.225 -1.945 -99.200 -91.000 TRP6 96 1.020 31.384 6.994 -4.025 -99.200 -91.000 TRP 108 1.040 16.378 1.499 -13.016 -99.200 -91.000 TRP6 108 1.020 18.369 0.418 -13.647 -99.200 -91.000 HIS 115 0.900 36.450 1.204 -1.400 -99.200 -91.000 PHE 118 1.000 38.505 11.557 2.396 -99.200 -91.000