============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. PHE 4 1.000 15.150 -1.018 27.568 -99.200 -91.000 PHE 6 1.000 21.402 -2.339 23.909 -99.200 -91.000 PHE 32 1.000 16.139 7.563 10.654 -99.200 -91.000 TYR 62 0.840 5.299 22.580 20.907 -99.200 -91.000 HIS 63 0.900 5.383 19.107 16.937 -99.200 -91.000 HIS 80 0.900 1.670 2.350 20.690 -99.200 -91.000 PHE 82 1.000 -5.721 10.068 16.853 -99.200 -91.000 TRP 85 1.040 4.387 2.044 15.114 -99.200 -91.000 TRP6 85 1.020 5.602 1.404 13.184 -99.200 -91.000 TYR 96 0.840 15.418 20.607 19.887 -99.200 -91.000 PHE 111 1.000 3.844 25.256 25.350 -99.200 -91.000 HIS 115 0.900 -1.726 24.886 25.235 -99.200 -91.000 HIS 127 0.900 -0.213 6.811 32.002 -99.200 -91.000 PHE 137 1.000 10.160 19.587 30.323 -99.200 -91.000 TYR 143 0.840 27.666 25.102 18.528 -99.200 -91.000 TRP 160 1.040 13.616 20.723 35.209 -99.200 -91.000 TRP6 160 1.020 13.370 22.038 33.258 -99.200 -91.000 PHE 168 1.000 8.847 5.220 33.328 -99.200 -91.000 PHE 181 1.000 16.017 4.807 25.939 -99.200 -91.000 PHE 189 1.000 31.721 24.337 26.827 -99.200 -91.000 PHE 205 1.000 17.158 8.598 33.786 -99.200 -91.000 TYR 208 0.840 21.901 5.930 31.038 -99.200 -91.000 PHE 223 1.000 31.252 12.196 13.013 -99.200 -91.000 PHE 228 1.000 34.161 15.346 24.908 -99.200 -91.000 HIS 239 0.900 25.759 3.820 24.678 -99.200 -91.000 TYR 240 0.840 17.015 9.066 20.827 -99.200 -91.000 PHE 261 1.000 22.406 6.991 14.792 -99.200 -91.000 PHE 276 1.000 19.027 11.690 2.225 -99.200 -91.000 TRP 278 1.040 23.110 2.527 -1.586 -99.200 -91.000 TRP6 278 1.020 23.379 2.499 0.762 -99.200 -91.000 PHE 289 1.000 18.262 13.681 -11.444 -99.200 -91.000 HIS 301 0.900 16.151 -3.842 -0.220 -99.200 -91.000 TRP 308 1.040 5.583 4.563 -10.017 -99.200 -91.000 TRP6 308 1.020 5.105 3.541 -7.941 -99.200 -91.000 TYR 312 0.840 4.763 8.902 -12.184 -99.200 -91.000 HIS 314 0.900 12.118 16.615 -13.441 -99.200 -91.000 HIS 315 0.900 4.294 14.968 -14.356 -99.200 -91.000 HIS 331 0.900 15.046 6.071 -2.605 -99.200 -91.000 PHE 335 1.000 20.371 5.702 1.009 -99.200 -91.000 TYR 336 0.840 18.199 8.601 6.573 -99.200 -91.000 PHE 352 1.000 30.263 0.563 11.405 -99.200 -91.000 PHE 355 1.000 28.224 0.087 5.307 -99.200 -91.000 PHE 359 1.000 27.643 6.097 3.595 -99.200 -91.000 TYR 363 0.840 25.891 9.963 1.061 -99.200 -91.000 PHE 364 1.000 30.708 12.128 2.321 -99.200 -91.000