============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. PHE 2 1.000 -12.269 -3.359 10.320 -99.200 -91.000 PHE 7 1.000 -24.446 6.062 21.311 -99.200 -91.000 TRP 30 1.040 -25.810 9.828 43.596 -99.200 -91.000 TRP6 30 1.020 -23.690 10.821 44.040 -99.200 -91.000 TYR 36 0.840 -32.853 4.699 39.793 -99.200 -91.000 HIS 40 0.900 -28.324 -9.772 42.035 -99.200 -91.000 TYR 53 0.840 -35.319 -10.730 45.503 -99.200 -91.000 HIS 63 0.900 -29.735 3.611 60.003 -99.200 -91.000 PHE 65 1.000 -30.127 -1.407 51.480 -99.200 -91.000 HIS 79 0.900 -35.307 0.886 53.107 -99.200 -91.000 TYR 100 0.840 -32.187 10.640 34.596 -99.200 -91.000 PHE 102 1.000 -34.299 5.504 34.701 -99.200 -91.000 PHE 111 1.000 -27.887 -2.962 25.402 -99.200 -91.000 TYR 117 0.840 -15.765 -6.081 36.294 -99.200 -91.000 TYR 125 0.840 -19.818 -5.080 26.667 -99.200 -91.000 HIS 133 0.900 -36.685 -10.792 25.037 -99.200 -91.000 PHE 139 1.000 -14.327 -9.742 27.981 -99.200 -91.000 PHE 149 1.000 -23.767 4.248 27.972 -99.200 -91.000 TYR 153 0.840 -29.959 15.650 19.391 -99.200 -91.000 PHE 158 1.000 -28.555 6.096 32.400 -99.200 -91.000 TYR 160 0.840 -28.643 -5.412 30.293 -99.200 -91.000 HIS 162 0.900 -24.834 -8.643 34.124 -99.200 -91.000 HIS 163 0.900 -31.115 -6.881 37.535 -99.200 -91.000 HIS 171 0.900 -22.924 -11.411 30.400 -99.200 -91.000 PHE 180 1.000 -34.413 -10.243 35.397 -99.200 -91.000 TYR 181 0.840 -34.657 -5.130 28.290 -99.200 -91.000 PHE 184 1.000 -33.574 -15.049 30.464 -99.200 -91.000 TRP 206 1.040 -21.725 -5.918 8.381 -99.200 -91.000 TRP6 206 1.020 -21.390 -7.947 7.200 -99.200 -91.000 TYR 208 0.840 -29.275 -1.728 1.626 -99.200 -91.000 TRP 217 1.040 -17.471 -9.935 -1.867 -99.200 -91.000 TRP6 217 1.020 -18.507 -12.041 -1.456 -99.200 -91.000 PHE 218 1.000 -22.269 -7.735 -0.411 -99.200 -91.000 PHE 222 1.000 -30.053 -14.870 -10.110 -99.200 -91.000 PHE 229 1.000 -34.612 -12.666 3.291 -99.200 -91.000 TYR 236 0.840 -29.459 -21.341 4.987 -99.200 -91.000 TYR 238 0.840 -29.810 -14.713 8.678 -99.200 -91.000 HIS 245 0.900 -38.259 -6.500 10.792 -99.200 -91.000 PHE 290 1.000 -21.578 -2.610 12.918 -99.200 -91.000 PHE 293 1.000 -30.001 6.474 14.859 -99.200 -91.000