============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. HIS 4 0.900 -8.790 77.176 68.734 -99.200 -91.000 TYR 9 0.840 -2.841 64.750 69.586 -99.200 -91.000 TRP 10 1.040 -4.519 63.247 60.905 -99.200 -91.000 TRP6 10 1.020 -6.231 61.882 60.021 -99.200 -91.000 TYR 15 0.840 -10.009 47.107 69.435 -99.200 -91.000 PHE 16 1.000 -15.779 51.987 71.101 -99.200 -91.000 PHE 26 1.000 -2.243 55.594 67.722 -99.200 -91.000 TYR 40 0.840 0.523 42.898 61.356 -99.200 -91.000 PHE 49 1.000 -5.220 52.225 68.129 -99.200 -91.000 HIS 58 0.900 -15.910 42.582 80.522 -99.200 -91.000 HIS 69 0.900 -8.720 35.441 60.422 -99.200 -91.000 TRP 85 1.040 -8.855 60.893 50.137 -99.200 -91.000 TRP6 85 1.020 -9.617 59.915 48.128 -99.200 -91.000 HIS 92 0.900 -10.174 38.035 56.425 -99.200 -91.000 PHE 95 1.000 -18.359 44.670 56.453 -99.200 -91.000 TYR 99 0.840 -23.732 61.244 59.212 -99.200 -91.000 TYR 100 0.840 -17.529 62.567 50.221 -99.200 -91.000 HIS 108 0.900 -21.268 53.876 52.349 -99.200 -91.000 TYR 111 0.840 -15.676 44.605 47.724 -99.200 -91.000 TYR 115 0.840 -5.792 56.483 48.482 -99.200 -91.000 PHE 119 1.000 -15.302 64.782 57.490 -99.200 -91.000 HIS 125 0.900 -18.337 75.561 57.514 -99.200 -91.000 PHE 152 1.000 -9.827 47.376 61.528 -99.200 -91.000 TRP 156 1.040 -23.258 48.179 61.339 -99.200 -91.000 TRP6 156 1.020 -21.076 48.741 60.609 -99.200 -91.000 TYR 160 0.840 -23.027 41.761 56.333 -99.200 -91.000 TRP 171 1.040 -17.139 48.458 67.205 -99.200 -91.000 TRP6 171 1.020 -17.754 50.699 67.639 -99.200 -91.000 HIS 175 0.900 -15.096 60.937 68.314 -99.200 -91.000 HIS 177 0.900 -8.512 65.832 67.416 -99.200 -91.000 HIS 188 0.900 -18.783 78.697 71.098 -99.200 -91.000