============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. PHE 14 1.000 56.342 -68.251 -11.978 -99.200 -91.000 HIS 27 0.900 46.867 -62.347 6.489 -99.200 -91.000 TYR 34 0.840 56.659 -56.793 -7.979 -99.200 -91.000 TYR 57 0.840 29.280 -52.145 -14.885 -99.200 -91.000 HIS 60 0.900 30.010 -57.633 -19.007 -99.200 -91.000 TRP 69 1.040 30.736 -63.605 -25.506 -99.200 -91.000 TRP6 69 1.020 30.459 -62.224 -23.620 -99.200 -91.000 HIS 76 0.900 34.123 -65.185 -25.143 -99.200 -91.000 TYR 77 0.840 29.198 -67.108 -20.687 -99.200 -91.000 TRP 86 1.040 44.588 -63.565 2.046 -99.200 -91.000 TRP6 86 1.020 43.496 -65.001 3.570 -99.200 -91.000 TRP 98 1.040 34.167 -51.552 5.560 -99.200 -91.000 TRP6 98 1.020 35.454 -52.750 3.978 -99.200 -91.000 TYR 121 0.840 28.991 -70.139 -17.870 -99.200 -91.000 TYR 126 0.840 34.253 -77.077 -16.168 -99.200 -91.000 PHE 131 1.000 21.552 -74.884 -12.845 -99.200 -91.000 TYR 144 0.840 19.301 -59.719 -19.587 -99.200 -91.000 TYR 151 0.840 26.080 -77.101 -6.215 -99.200 -91.000 TYR 158 0.840 24.446 -73.559 -8.203 -99.200 -91.000 TYR 159 0.840 23.928 -72.140 1.121 -99.200 -91.000 TRP 166 1.040 15.181 -60.146 -9.704 -99.200 -91.000 TRP6 166 1.020 15.767 -62.275 -8.846 -99.200 -91.000 HIS 169 0.900 14.783 -54.094 -14.984 -99.200 -91.000 PHE 171 1.000 19.414 -54.871 -9.226 -99.200 -91.000 TYR 172 0.840 27.480 -55.962 -13.627 -99.200 -91.000 PHE 178 1.000 18.830 -50.888 -4.304 -99.200 -91.000 PHE 180 1.000 25.821 -58.011 0.383 -99.200 -91.000 TYR 181 0.840 15.769 -53.463 -0.083 -99.200 -91.000 TRP 182 1.040 16.456 -56.085 -6.342 -99.200 -91.000 TRP6 182 1.020 14.617 -54.597 -6.311 -99.200 -91.000 HIS 184 0.900 19.642 -61.770 1.909 -99.200 -91.000 PHE 202 1.000 21.475 -78.447 -9.382 -99.200 -91.000 PHE 204 1.000 19.889 -70.668 -7.970 -99.200 -91.000 PHE 210 1.000 24.829 -62.471 10.157 -99.200 -91.000 PHE 225 1.000 26.569 -68.544 10.231 -99.200 -91.000 PHE 227 1.000 26.634 -71.547 5.389 -99.200 -91.000 PHE 234 1.000 35.195 -59.015 7.775 -99.200 -91.000 TYR 235 0.840 30.691 -58.356 -0.370 -99.200 -91.000 HIS 236 0.900 32.908 -48.698 1.916 -99.200 -91.000 HIS 240 0.900 28.931 -48.086 -7.999 -99.200 -91.000 TYR 241 0.840 29.516 -58.219 -8.604 -99.200 -91.000 TRP 251 1.040 39.220 -65.500 2.395 -99.200 -91.000 TRP6 251 1.020 37.094 -66.506 2.440 -99.200 -91.000 TYR 255 0.840 42.606 -70.057 10.631 -99.200 -91.000 HIS 263 0.900 34.662-112.244 15.824 -99.200 -91.000 HIS 267 0.900 30.133-102.874 10.666 -99.200 -91.000