============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TYR 1 0.840 37.473 15.522 32.979 -99.200 -91.000 TRP 6 1.040 29.520 2.372 21.617 -99.200 -91.000 TRP6 6 1.020 29.220 4.674 21.208 -99.200 -91.000 TRP 20 1.040 35.571 2.919 17.323 -99.200 -91.000 TRP6 20 1.020 33.510 3.482 18.340 -99.200 -91.000 TYR 57 0.840 15.903 -0.508 23.074 -99.200 -91.000 TYR 59 0.840 8.840 7.244 27.086 -99.200 -91.000 HIS 79 0.900 17.885 21.180 5.026 -99.200 -91.000 TYR 92 0.840 13.755 4.939 11.992 -99.200 -91.000 TRP 107 1.040 -3.910 -1.471 10.084 -99.200 -91.000 TRP6 107 1.020 -1.745 -1.723 11.003 -99.200 -91.000 HIS 117 0.900 5.965 -7.511 16.350 -99.200 -91.000 TRP 126 1.040 6.281 -3.516 21.598 -99.200 -91.000 TRP6 126 1.020 5.465 -5.731 21.385 -99.200 -91.000 PHE 142 1.000 1.120 -5.563 24.508 -99.200 -91.000 PHE 145 1.000 -4.223 -7.475 16.012 -99.200 -91.000 PHE 146 1.000 0.285 -9.088 14.885 -99.200 -91.000 TYR 182 0.840 13.831 -15.797 12.065 -99.200 -91.000 TYR 183 0.840 18.049 -7.233 18.220 -99.200 -91.000 TYR 185 0.840 15.608 -0.838 12.005 -99.200 -91.000 PHE 189 1.000 12.809 -7.733 3.915 -99.200 -91.000 PHE 201 1.000 3.833 -5.028 12.307 -99.200 -91.000 TRP 208 1.040 13.473 0.753 -0.911 -99.200 -91.000 TRP6 208 1.020 13.401 1.264 -3.218 -99.200 -91.000 TRP 219 1.040 19.265 -13.468 5.252 -99.200 -91.000 TRP6 219 1.020 17.760 -11.664 5.028 -99.200 -91.000 PHE 228 1.000 9.775 -9.075 0.214 -99.200 -91.000 HIS 247 0.900 4.523 7.529 6.000 -99.200 -91.000 HIS 254 0.900 17.951 3.146 15.597 -99.200 -91.000 HIS 265 0.900 35.599 12.703 27.576 -99.200 -91.000 HIS 272 0.900 40.372 12.660 16.363 -99.200 -91.000 PHE 277 1.000 38.882 4.720 13.236 -99.200 -91.000 PHE 288 1.000 36.285 -0.146 12.974 -99.200 -91.000 PHE 291 1.000 29.207 6.046 11.041 -99.200 -91.000 PHE 300 1.000 27.766 4.190 15.837 -99.200 -91.000 TYR 316 0.840 12.908 12.087 27.898 -99.200 -91.000 TYR 319 0.840 16.654 12.770 18.663 -99.200 -91.000 TYR 324 0.840 8.453 7.257 19.333 -99.200 -91.000 PHE 341 1.000 16.418 0.048 33.675 -99.200 -91.000