============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 6 1.000 43.532 75.001 41.685 -99.200 -91.000 TYR 16 0.840 44.421 92.846 40.545 -99.200 -91.000 TRP 18 1.040 46.196 87.691 50.375 -99.200 -91.000 TRP6 18 1.020 46.927 85.696 51.416 -99.200 -91.000 PHE 33 1.000 45.625 80.493 48.899 -99.200 -91.000 TRP 36 1.040 55.518 78.732 38.027 -99.200 -91.000 TRP6 36 1.020 57.142 80.429 37.797 -99.200 -91.000 TYR 40 0.840 54.290 73.813 47.773 -99.200 -91.000 PHE 43 1.000 51.751 81.116 49.613 -99.200 -91.000 TYR 47 0.840 49.970 79.029 56.015 -99.200 -91.000 PHE 52 1.000 52.525 84.602 52.933 -99.200 -91.000 PHE 72 1.000 47.638 75.026 38.078 -99.200 -91.000 PHE 76 1.000 55.653 71.392 32.633 -99.200 -91.000 TYR 92 0.840 59.117 72.935 38.208 -99.200 -91.000 TYR 98 0.840 55.275 69.227 39.049 -99.200 -91.000 HIS 108 0.900 36.463 63.767 41.870 -99.200 -91.000 TYR 111 0.840 40.535 68.983 50.021 -99.200 -91.000 HIS 119 0.900 44.332 81.540 33.781 -99.200 -91.000 TYR 139 0.840 52.564 85.765 19.262 -99.200 -91.000 TYR 148 0.840 46.002 74.603 25.687 -99.200 -91.000 TYR 156 0.840 43.441 67.879 31.377 -99.200 -91.000 PHE 157 1.000 41.132 72.152 38.174 -99.200 -91.000 TYR 172 0.840 46.796 96.558 31.373 -99.200 -91.000 HIS 173 0.900 41.120 99.060 27.393 -99.200 -91.000 TYR 182 0.840 50.284 93.556 29.158 -99.200 -91.000 TYR 202 0.840 28.147 77.384 21.248 -99.200 -91.000 HIS 203 0.900 32.438 74.945 22.191 -99.200 -91.000 TYR 208 0.840 30.516 70.009 30.331 -99.200 -91.000 PHE 231 1.000 53.799 98.745 32.123 -99.200 -91.000 TYR 234 0.840 53.218 106.483 32.444 -99.200 -91.000 TYR 238 0.840 47.425 108.128 31.949 -99.200 -91.000 TYR 242 0.840 45.936 112.194 33.476 -99.200 -91.000 PHE 260 1.000 27.582 90.156 40.559 -99.200 -91.000 TYR 275 0.840 37.525 96.873 30.193 -99.200 -91.000 PHE 284 1.000 40.695 109.579 21.683 -99.200 -91.000