============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 6 1.000 11.945 3.472 4.411 -99.200 -91.000 PHE 8 1.000 13.352 0.730 9.172 -99.200 -91.000 PHE 11 1.000 14.228 1.953 14.027 -99.200 -91.000 PHE 20 1.000 22.728 1.972 12.487 -99.200 -91.000 TYR 53 0.840 15.248 1.688 3.305 -99.200 -91.000 TRP 60 1.040 10.769 16.375 -9.871 -99.200 -91.000 TRP6 60 1.020 11.880 17.205 -11.784 -99.200 -91.000 PHE 69 1.000 8.835 13.983 1.405 -99.200 -91.000 PHE 73 1.000 9.754 11.742 12.416 -99.200 -91.000 PHE 75 1.000 9.886 13.364 18.047 -99.200 -91.000 PHE 90 1.000 12.316 12.632 6.752 -99.200 -91.000 PHE 91 1.000 19.757 13.831 7.061 -99.200 -91.000 PHE 111 1.000 21.495 22.809 7.267 -99.200 -91.000 PHE 124 1.000 10.277 16.996 14.773 -99.200 -91.000 TYR 127 0.840 20.452 25.644 24.612 -99.200 -91.000 TYR 137 0.840 9.028 30.405 20.383 -99.200 -91.000 HIS 139 0.900 12.873 26.555 17.396 -99.200 -91.000 TRP 155 1.040 7.755 20.166 19.814 -99.200 -91.000 TRP6 155 1.020 9.981 19.424 20.080 -99.200 -91.000 TRP 157 1.040 11.172 17.875 24.846 -99.200 -91.000 TRP6 157 1.020 11.958 18.506 26.984 -99.200 -91.000 HIS 166 0.900 1.814 12.661 7.587 -99.200 -91.000 TYR 169 0.840 7.196 18.685 -2.132 -99.200 -91.000 TYR 182 0.840 5.348 15.431 23.026 -99.200 -91.000 PHE 192 1.000 9.797 27.769 2.902 -99.200 -91.000 TRP 203 1.040 18.320 8.582 -8.654 -99.200 -91.000 TRP6 203 1.020 17.333 6.549 -7.932 -99.200 -91.000 PHE 208 1.000 13.961 9.848 11.384 -99.200 -91.000 TYR 215 0.840 23.172 23.404 29.086 -99.200 -91.000 TRP 224 1.040 11.265 6.921 9.007 -99.200 -91.000 TRP6 224 1.020 13.367 6.376 8.052 -99.200 -91.000 PHE 226 1.000 10.437 8.193 2.327 -99.200 -91.000