============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. TYR 14 0.840 74.205 58.039 38.710 -99.200 -91.000 PHE 37 1.000 77.725 75.171 39.672 -99.200 -91.000 TRP 38 1.040 84.643 72.379 41.880 -99.200 -91.000 TRP6 38 1.020 85.759 71.539 39.963 -99.200 -91.000 PHE 58 1.000 81.577 81.028 33.751 -99.200 -91.000 TYR 66 0.840 83.161 85.375 37.159 -99.200 -91.000 PHE 73 1.000 86.919 76.007 45.365 -99.200 -91.000 TYR 77 0.840 85.980 67.577 45.758 -99.200 -91.000 TRP 87 1.040 85.871 81.247 47.099 -99.200 -91.000 TRP6 87 1.020 84.103 79.665 47.086 -99.200 -91.000 TYR 121 0.840 73.110 70.054 56.528 -99.200 -91.000 TYR 128 0.840 87.164 76.270 56.799 -99.200 -91.000 TYR 139 0.840 79.563 79.891 49.121 -99.200 -91.000 TYR 157 0.840 69.520 67.967 47.961 -99.200 -91.000 TYR 160 0.840 64.176 57.025 39.697 -99.200 -91.000 PHE 173 1.000 68.451 70.781 42.874 -99.200 -91.000 TYR 181 0.840 57.984 57.106 48.041 -99.200 -91.000 PHE 210 1.000 78.155 41.003 59.756 -99.200 -91.000 PHE 212 1.000 78.917 51.701 61.149 -99.200 -91.000 TYR 226 0.840 84.868 54.149 49.662 -99.200 -91.000 PHE 227 1.000 79.676 50.006 55.938 -99.200 -91.000 PHE 231 1.000 79.949 47.286 60.323 -99.200 -91.000 TYR 251 0.840 96.974 47.973 53.244 -99.200 -91.000 TYR 253 0.840 88.256 44.241 52.291 -99.200 -91.000 PHE 254 1.000 91.828 44.352 43.691 -99.200 -91.000 PHE 267 1.000 73.676 48.795 53.236 -99.200 -91.000 PHE 269 1.000 70.090 53.735 56.565 -99.200 -91.000 TYR 282 0.840 77.060 45.733 48.126 -99.200 -91.000 TYR 284 0.840 83.708 49.924 39.817 -99.200 -91.000 TRP 293 1.040 82.793 43.134 48.754 -99.200 -91.000 TRP6 293 1.020 83.051 43.607 51.066 -99.200 -91.000 PHE 307 1.000 71.900 52.961 50.947 -99.200 -91.000 HIS 310 0.900 69.928 49.007 43.997 -99.200 -91.000 TYR 312 0.840 62.257 59.408 45.124 -99.200 -91.000 TYR 315 0.840 70.125 63.257 50.145 -99.200 -91.000 TYR 329 0.840 65.462 50.744 40.086 -99.200 -91.000