============================================================================= 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 9.909 15.833 5.289 -99.200 -91.000 TRP6 9 1.020 9.080 15.163 3.213 -99.200 -91.000 TYR 10 0.840 5.504 12.351 10.967 -99.200 -91.000 PHE 17 1.000 14.655 14.732 7.656 -99.200 -91.000 TYR 31 0.840 16.139 10.659 11.987 -99.200 -91.000 TYR 42 0.840 19.970 11.120 19.221 -99.200 -91.000 TYR 48 0.840 17.979 22.547 -0.624 -99.200 -91.000 TRP 63 1.040 19.307 13.482 7.224 -99.200 -91.000 TRP6 63 1.020 17.751 13.020 5.529 -99.200 -91.000 TRP 67 1.040 22.778 7.581 15.133 -99.200 -91.000 TRP6 67 1.020 20.567 8.385 15.043 -99.200 -91.000 TYR 71 0.840 18.850 14.444 27.990 -99.200 -91.000 HIS 75 0.900 30.559 6.163 22.186 -99.200 -91.000 TRP 80 1.040 18.630 8.559 6.691 -99.200 -91.000 TRP6 80 1.020 19.482 9.182 8.796 -99.200 -91.000 TYR 84 0.840 10.818 17.551 -2.190 -99.200 -91.000 TRP 96 1.040 19.130 3.791 6.327 -99.200 -91.000 TRP6 96 1.020 20.187 2.171 7.649 -99.200 -91.000 TRP 108 1.040 35.162 -7.877 10.321 -99.200 -91.000 TRP6 108 1.020 33.318 -9.089 9.559 -99.200 -91.000 HIS 115 0.900 15.222 -0.287 1.819 -99.200 -91.000 PHE 118 1.000 13.142 9.609 6.354 -99.200 -91.000