============================================================================= 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. HIS 4 0.900 -28.821 30.159 -3.035 -99.200 -91.000 PHE 7 1.000 -34.191 20.296 -8.064 -99.200 -91.000 HIS 9 0.900 -36.698 16.911 -12.085 -99.200 -91.000 TYR 12 0.840 -40.046 9.640 -12.000 -99.200 -91.000 PHE 24 1.000 -48.720 10.130 -3.786 -99.200 -91.000 TYR 25 0.840 -57.469 9.683 -7.582 -99.200 -91.000 PHE 36 1.000 -64.927 2.997 15.146 -99.200 -91.000 HIS 41 0.900 -45.855 -5.937 17.031 -99.200 -91.000 HIS 62 0.900 -34.386 25.194 6.097 -99.200 -91.000 TRP 66 1.040 -41.306 20.342 11.092 -99.200 -91.000 TRP6 66 1.020 -41.766 21.347 8.985 -99.200 -91.000 PHE 68 1.000 -43.891 16.061 12.889 -99.200 -91.000 HIS 78 0.900 -57.314 5.959 30.909 -99.200 -91.000 TYR 92 0.840 -69.199 16.066 20.329 -99.200 -91.000 TRP 100 1.040 -68.082 21.884 15.078 -99.200 -91.000 TRP6 100 1.020 -66.330 23.137 16.118 -99.200 -91.000 TRP 111 1.040 -68.816 12.600 26.072 -99.200 -91.000 TRP6 111 1.020 -70.940 13.326 25.329 -99.200 -91.000 TYR 115 0.840 -59.673 8.297 18.581 -99.200 -91.000 PHE 126 1.000 -47.665 19.566 21.328 -99.200 -91.000 HIS 130 0.900 -41.597 32.401 20.482 -99.200 -91.000 PHE 132 1.000 -36.978 30.841 22.348 -99.200 -91.000 HIS 139 0.900 -40.431 29.002 14.357 -99.200 -91.000 TYR 140 0.840 -40.703 35.375 8.919 -99.200 -91.000 TYR 141 0.840 -46.926 33.403 5.330 -99.200 -91.000 HIS 185 0.900 -40.701 27.341 22.118 -99.200 -91.000 TYR 196 0.840 -50.752 -3.083 11.602 -99.200 -91.000 HIS 219 0.900 -59.617 34.907 -21.085 -99.200 -91.000