============================================================================= 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. HIS 17 0.900 33.767 1.607 -1.229 -99.200 -91.000 TYR 31 0.840 50.459 20.297 -0.377 -99.200 -91.000 TYR 37 0.840 38.791 24.414 -5.110 -99.200 -91.000 TYR 38 0.840 44.434 19.920 -8.003 -99.200 -91.000 PHE 63 1.000 31.148 16.986 -6.028 -99.200 -91.000 TRP 73 1.040 35.607 31.080 -7.014 -99.200 -91.000 TRP6 73 1.020 35.701 28.761 -6.792 -99.200 -91.000 TYR 79 0.840 26.085 22.256 -8.533 -99.200 -91.000 PHE 92 1.000 29.514 14.565 -24.117 -99.200 -91.000 PHE 98 1.000 25.897 22.953 -18.884 -99.200 -91.000 TYR 113 0.840 44.266 16.653 -18.282 -99.200 -91.000 TYR 114 0.840 51.578 22.531 -13.238 -99.200 -91.000 HIS 116 0.900 56.065 26.675 -21.144 -99.200 -91.000 PHE 118 1.000 46.282 21.701 -19.624 -99.200 -91.000 HIS 119 0.900 48.877 29.436 -21.840 -99.200 -91.000 PHE 135 1.000 44.306 17.577 -25.911 -99.200 -91.000 TYR 137 0.840 50.761 11.842 -20.199 -99.200 -91.000 HIS 138 0.900 54.909 5.814 -23.619 -99.200 -91.000 TYR 145 0.840 44.190 5.237 -18.217 -99.200 -91.000 PHE 150 1.000 48.891 8.072 -32.151 -99.200 -91.000 TYR 170 0.840 51.782 7.702 -27.473 -99.200 -91.000 TYR 176 0.840 37.205 12.244 -23.107 -99.200 -91.000 PHE 177 1.000 38.724 20.945 -25.420 -99.200 -91.000 TYR 178 0.840 33.267 14.807 -27.486 -99.200 -91.000 TYR 206 0.840 32.594 13.726 -32.956 -99.200 -91.000 TYR 221 0.840 51.580 19.753 -21.878 -99.200 -91.000 TRP 223 1.040 45.588 12.357 -17.783 -99.200 -91.000 TRP6 223 1.020 45.449 10.129 -18.648 -99.200 -91.000 HIS 229 0.900 42.945 3.281 -1.316 -99.200 -91.000 PHE 238 1.000 53.758 16.502 -10.823 -99.200 -91.000 TYR 258 0.840 43.469 39.630 -10.039 -99.200 -91.000 TRP 262 1.040 36.821 34.910 -17.137 -99.200 -91.000 TRP6 262 1.020 36.982 32.532 -17.173 -99.200 -91.000 TYR 280 0.840 43.115 28.477 -1.779 -99.200 -91.000 TYR 283 0.840 48.886 31.627 -4.408 -99.200 -91.000 TYR 293 0.840 57.217 38.852 -15.145 -99.200 -91.000