============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 13 1.000 12.074 1.406 17.175 -99.200 -91.000 HIS 23 0.900 3.118 -8.715 2.807 -99.200 -91.000 TYR 26 0.840 15.770 -4.476 5.879 -99.200 -91.000 PHE 27 1.000 9.444 -1.765 10.574 -99.200 -91.000 HIS 30 0.900 13.780 9.113 12.149 -99.200 -91.000 TYR 38 0.840 3.553 21.723 20.312 -99.200 -91.000 PHE 42 1.000 9.156 28.314 22.720 -99.200 -91.000 PHE 60 1.000 14.744 1.195 21.889 -99.200 -91.000 TYR 62 0.840 20.536 6.103 30.588 -99.200 -91.000 TRP 67 1.040 16.795 13.897 19.098 -99.200 -91.000 TRP6 67 1.020 17.889 13.725 16.993 -99.200 -91.000 HIS 77 0.900 14.369 20.980 36.187 -99.200 -91.000 PHE 89 1.000 5.670 6.984 17.333 -99.200 -91.000 PHE 90 1.000 7.478 -1.107 15.928 -99.200 -91.000 HIS 94 0.900 3.339 7.675 2.061 -99.200 -91.000 TYR 95 0.840 -1.986 -1.186 2.619 -99.200 -91.000 TYR 105 0.840 0.233 5.451 19.719 -99.200 -91.000 TYR 106 0.840 3.914 -3.083 20.289 -99.200 -91.000 TYR 124 0.840 12.184 23.382 34.587 -99.200 -91.000 HIS 132 0.900 2.182 22.542 24.236 -99.200 -91.000 TYR 149 0.840 -6.690 18.609 35.761 -99.200 -91.000 PHE 152 1.000 -1.844 23.268 31.271 -99.200 -91.000 PHE 160 1.000 -4.696 20.216 26.163 -99.200 -91.000 TRP 169 1.040 -8.243 10.306 24.825 -99.200 -91.000 TRP6 169 1.020 -8.133 11.988 26.489 -99.200 -91.000 PHE 185 1.000 -5.809 24.078 35.329 -99.200 -91.000 HIS 186 0.900 -7.981 32.512 29.184 -99.200 -91.000 PHE 189 1.000 0.282 31.330 22.542 -99.200 -91.000 PHE 213 1.000 -12.155 24.200 20.759 -99.200 -91.000 TYR 216 0.840 -14.007 26.617 27.324 -99.200 -91.000 TYR 232 0.840 -10.471 30.829 13.780 -99.200 -91.000 TYR 233 0.840 -4.712 37.884 15.328 -99.200 -91.000 TYR 238 0.840 -2.989 35.162 7.733 -99.200 -91.000 TYR 239 0.840 -6.388 29.175 4.218 -99.200 -91.000 TYR 243 0.840 4.143 27.233 1.168 -99.200 -91.000 PHE 261 1.000 0.971 31.067 16.164 -99.200 -91.000 TYR 265 0.840 2.429 35.800 21.455 -99.200 -91.000 TYR 266 0.840 5.879 33.324 24.441 -99.200 -91.000 PHE 269 1.000 9.058 36.202 13.143 -99.200 -91.000 TYR 277 0.840 8.895 33.759 8.841 -99.200 -91.000 PHE 304 1.000 9.004 26.596 2.037 -99.200 -91.000