============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 6 1.000 25.713 3.784 -2.852 -99.200 -91.000 TYR 19 0.840 17.122 -2.218 14.486 -99.200 -91.000 HIS 21 0.900 21.528 4.624 22.200 -99.200 -91.000 HIS 25 0.900 18.916 3.554 26.029 -99.200 -91.000 TRP 30 1.040 6.611 3.429 17.093 -99.200 -91.000 TRP6 30 1.020 4.379 4.066 16.634 -99.200 -91.000 TRP 43 1.040 17.508 -4.014 7.121 -99.200 -91.000 TRP6 43 1.020 19.249 -2.380 7.120 -99.200 -91.000 TYR 44 0.840 24.963 -4.424 2.971 -99.200 -91.000 TYR 52 0.840 14.163 -1.392 -2.873 -99.200 -91.000 TYR 66 0.840 21.246 2.166 10.270 -99.200 -91.000 PHE 69 1.000 15.280 3.661 -1.031 -99.200 -91.000 TRP 72 1.040 4.474 2.617 4.037 -99.200 -91.000 TRP6 72 1.020 2.519 3.757 3.291 -99.200 -91.000 PHE 75 1.000 -1.357 -7.433 -0.209 -99.200 -91.000 PHE 78 1.000 0.707 -0.287 -0.173 -99.200 -91.000 TYR 80 0.840 5.788 2.590 -10.087 -99.200 -91.000 HIS 84 0.900 12.646 8.302 4.497 -99.200 -91.000 TYR 87 0.840 17.148 4.170 12.894 -99.200 -91.000 HIS 89 0.900 27.598 6.157 18.209 -99.200 -91.000 HIS 92 0.900 30.102 10.430 16.223 -99.200 -91.000 HIS 115 0.900 4.743 9.617 -8.071 -99.200 -91.000 HIS 131 0.900 12.327 12.859 7.782 -99.200 -91.000 HIS 132 0.900 7.985 20.270 8.564 -99.200 -91.000 PHE 136 1.000 10.876 13.316 3.054 -99.200 -91.000 PHE 148 1.000 11.051 3.783 25.513 -99.200 -91.000 TRP 151 1.040 -2.311 5.676 25.138 -99.200 -91.000 TRP6 151 1.020 -2.646 3.430 24.410 -99.200 -91.000 PHE 156 1.000 2.508 6.794 7.983 -99.200 -91.000 HIS 163 0.900 7.995 10.199 -13.829 -99.200 -91.000