============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. PHE 9 1.000 -9.042 -0.763 10.025 -99.200 -91.000 PHE 11 1.000 -15.451 -1.984 18.868 -99.200 -91.000 TYR 14 0.840 -8.891 -1.501 22.151 -99.200 -91.000 HIS 16 0.900 -5.661 -8.417 14.510 -99.200 -91.000 PHE 27 1.000 -6.402 8.269 22.818 -99.200 -91.000 HIS 47 0.900 -5.340 -9.915 -4.248 -99.200 -91.000 PHE 58 1.000 -15.252 0.434 3.913 -99.200 -91.000 HIS 69 0.900 -13.010 6.008 -2.341 -99.200 -91.000 PHE 72 1.000 -13.781 6.374 4.955 -99.200 -91.000 HIS 74 0.900 -22.244 11.773 2.026 -99.200 -91.000 HIS 76 0.900 -12.718 16.409 5.547 -99.200 -91.000 PHE 79 1.000 -16.762 12.640 12.092 -99.200 -91.000 PHE 90 1.000 2.860 17.065 3.781 -99.200 -91.000 PHE 101 1.000 -3.975 9.640 -5.690 -99.200 -91.000 HIS 107 0.900 -16.106 14.846 -5.200 -99.200 -91.000 TYR 108 0.840 -15.210 10.713 -4.177 -99.200 -91.000 TYR 109 0.840 -10.976 10.084 1.078 -99.200 -91.000 PHE 118 1.000 8.978 13.825 0.508 -99.200 -91.000 TRP 121 1.040 14.897 12.842 5.768 -99.200 -91.000 TRP6 121 1.020 13.252 11.713 4.495 -99.200 -91.000 TYR 131 0.840 -0.591 19.710 7.020 -99.200 -91.000 PHE 144 1.000 8.364 11.940 7.247 -99.200 -91.000 TYR 156 0.840 -5.669 17.896 10.270 -99.200 -91.000 PHE 158 1.000 -7.656 19.833 19.134 -99.200 -91.000 PHE 159 1.000 -14.073 14.936 21.055 -99.200 -91.000 TRP 163 1.040 -16.027 15.604 31.266 -99.200 -91.000 TRP6 163 1.020 -15.825 13.586 30.040 -99.200 -91.000 PHE 167 1.000 -15.685 13.045 35.751 -99.200 -91.000 PHE 177 1.000 -5.052 3.146 37.068 -99.200 -91.000 TYR 178 0.840 -4.986 -0.481 44.161 -99.200 -91.000 TYR 198 0.840 -23.712 0.816 37.034 -99.200 -91.000 HIS 200 0.900 -22.746 -6.044 37.684 -99.200 -91.000 TYR 213 0.840 -16.874 14.077 25.274 -99.200 -91.000 PHE 220 1.000 -20.888 3.424 24.866 -99.200 -91.000 PHE 221 1.000 -14.799 7.650 30.625 -99.200 -91.000 TRP 244 1.040 -21.532 -3.368 26.972 -99.200 -91.000 TRP6 244 1.020 -19.323 -2.788 26.393 -99.200 -91.000 TYR 256 0.840 -14.942 7.987 43.956 -99.200 -91.000 TYR 266 0.840 -0.036 2.726 19.269 -99.200 -91.000 PHE 281 1.000 2.319 -2.384 4.501 -99.200 -91.000 PHE 287 1.000 0.397 1.832 -3.229 -99.200 -91.000 HIS 303 0.900 -3.131 6.623 14.921 -99.200 -91.000 PHE 321 1.000 5.089 8.508 8.894 -99.200 -91.000 PHE 334 1.000 -14.549 3.513 35.078 -99.200 -91.000 PHE 338 1.000 -9.828 3.961 32.787 -99.200 -91.000 PHE 343 1.000 -18.289 4.121 19.573 -99.200 -91.000 HIS 345 0.900 -25.816 9.417 20.393 -99.200 -91.000 PHE 346 1.000 -25.862 13.359 11.899 -99.200 -91.000 TRP 348 1.040 -24.257 5.373 17.096 -99.200 -91.000 TRP6 348 1.020 -23.337 5.044 19.258 -99.200 -91.000 PHE 352 1.000 -9.821 10.797 19.226 -99.200 -91.000