============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. PHE 5 1.000 40.847 -7.598 -22.578 -99.200 -91.000 TYR 6 0.840 41.110 0.248 -26.558 -99.200 -91.000 TRP 15 1.040 35.558 2.553 -18.390 -99.200 -91.000 TRP6 15 1.020 33.636 1.768 -19.518 -99.200 -91.000 TYR 21 0.840 33.557 -4.776 -27.680 -99.200 -91.000 TYR 32 0.840 24.647 2.641 -13.842 -99.200 -91.000 PHE 39 1.000 31.676 0.188 -36.007 -99.200 -91.000 PHE 56 1.000 33.187 -9.882 -8.706 -99.200 -91.000 HIS 61 0.900 27.896 -3.293 -4.040 -99.200 -91.000 TYR 66 0.840 25.386 -16.617 -9.979 -99.200 -91.000 HIS 74 0.900 20.539 -18.431 -17.921 -99.200 -91.000 HIS 77 0.900 11.252 -12.463 -27.533 -99.200 -91.000 PHE 87 1.000 35.053 -6.206 -22.306 -99.200 -91.000 PHE 96 1.000 35.685 -12.045 -12.412 -99.200 -91.000 TYR 100 0.840 35.274 -3.457 -18.393 -99.200 -91.000 HIS 104 0.900 22.067 -5.632 -30.638 -99.200 -91.000 HIS 123 0.900 4.134 4.171 -34.135 -99.200 -91.000 PHE 126 1.000 6.482 -2.790 -35.329 -99.200 -91.000 TYR 129 0.840 3.126 -9.362 -32.417 -99.200 -91.000 TYR 137 0.840 12.689 -15.421 -24.042 -99.200 -91.000 HIS 139 0.900 4.572 -12.321 -17.910 -99.200 -91.000 HIS 145 0.900 10.137 -4.812 -15.965 -99.200 -91.000 PHE 166 1.000 19.069 -0.848 -18.784 -99.200 -91.000 TRP 172 1.040 1.941 8.927 -12.761 -99.200 -91.000 TRP6 172 1.020 2.640 10.676 -14.201 -99.200 -91.000 TYR 173 0.840 3.313 4.427 -17.420 -99.200 -91.000 TRP 182 1.040 -2.634 -8.316 -2.849 -99.200 -91.000 TRP6 182 1.020 -4.188 -6.579 -2.445 -99.200 -91.000 HIS 184 0.900 1.154 -14.710 -1.279 -99.200 -91.000 TYR 185 0.840 3.271 -8.144 -5.754 -99.200 -91.000 TRP 192 1.040 -2.558 -1.734 -13.829 -99.200 -91.000 TRP6 192 1.020 -4.899 -1.804 -13.377 -99.200 -91.000 PHE 208 1.000 -5.402 3.844 -14.419 -99.200 -91.000 HIS 213 0.900 2.875 4.933 -3.143 -99.200 -91.000 TYR 243 0.840 -9.766 2.061 2.208 -99.200 -91.000 PHE 255 1.000 -11.932 0.083 -19.303 -99.200 -91.000 PHE 259 1.000 -9.177 3.908 -22.967 -99.200 -91.000 HIS 290 0.900 -8.263 -8.821 -28.435 -99.200 -91.000 TYR 292 0.840 -5.212 -3.180 -31.151 -99.200 -91.000 PHE 293 1.000 -1.950 -6.958 -30.023 -99.200 -91.000 TYR 296 0.840 1.807 -5.241 -36.833 -99.200 -91.000 HIS 297 0.900 -0.998 -14.706 -33.029 -99.200 -91.000 TYR 308 0.840 17.248 -16.890 -14.545 -99.200 -91.000 TRP 322 1.040 27.029 -14.599 -3.847 -99.200 -91.000 TRP6 322 1.020 25.329 -15.733 -5.037 -99.200 -91.000 TYR 327 0.840 37.577 -16.348 -14.088 -99.200 -91.000 PHE 333 1.000 28.453 -14.185 -24.100 -99.200 -91.000