============================================================================= 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 3 1.000 62.638 49.359 65.043 -99.200 -91.000 PHE 8 1.000 58.854 36.990 70.240 -99.200 -91.000 TRP 31 1.040 60.099 15.420 75.435 -99.200 -91.000 TRP6 31 1.020 61.638 15.338 77.227 -99.200 -91.000 TYR 37 0.840 54.709 17.373 68.074 -99.200 -91.000 HIS 41 0.900 64.375 15.807 56.254 -99.200 -91.000 TYR 54 0.840 59.391 11.013 53.186 -99.200 -91.000 HIS 64 0.900 61.989 -1.824 70.467 -99.200 -91.000 PHE 66 1.000 61.726 6.435 64.428 -99.200 -91.000 HIS 80 0.900 56.634 3.890 64.557 -99.200 -91.000 TYR 101 0.840 52.530 22.698 73.380 -99.200 -91.000 PHE 103 1.000 52.203 21.997 67.802 -99.200 -91.000 PHE 112 1.000 59.501 32.103 61.231 -99.200 -91.000 TYR 118 0.840 73.631 23.471 63.166 -99.200 -91.000 TYR 126 0.840 68.122 32.565 62.014 -99.200 -91.000 HIS 134 0.900 53.546 30.840 49.928 -99.200 -91.000 PHE 140 1.000 67.551 27.164 59.435 -99.200 -91.000 PHE 150 1.000 61.009 30.788 69.563 -99.200 -91.000 TYR 154 0.840 49.547 39.043 76.091 -99.200 -91.000 PHE 159 1.000 57.104 25.465 70.112 -99.200 -91.000 TYR 161 0.840 60.404 27.096 59.055 -99.200 -91.000 HIS 163 0.900 65.669 24.433 57.658 -99.200 -91.000 HIS 164 0.900 60.145 19.373 57.242 -99.200 -91.000 HIS 172 0.900 67.722 28.314 54.832 -99.200 -91.000 PHE 181 1.000 57.685 20.978 53.017 -99.200 -91.000 TYR 182 0.840 54.316 27.813 57.274 -99.200 -91.000 PHE 185 1.000 58.678 25.821 48.243 -99.200 -91.000 TRP 207 1.040 62.482 49.921 58.919 -99.200 -91.000 TRP6 207 1.020 63.324 51.104 57.097 -99.200 -91.000 TYR 209 0.840 52.709 54.757 59.652 -99.200 -91.000 TRP 218 1.040 65.595 61.003 55.886 -99.200 -91.000 TRP6 218 1.020 65.406 60.299 53.610 -99.200 -91.000 PHE 219 1.000 60.739 58.472 56.361 -99.200 -91.000 PHE 223 1.000 53.943 65.562 46.108 -99.200 -91.000 PHE 230 1.000 52.285 52.121 47.571 -99.200 -91.000 TYR 237 0.840 60.027 51.249 41.121 -99.200 -91.000 TYR 239 0.840 58.486 47.807 47.721 -99.200 -91.000 HIS 246 0.900 48.464 43.999 52.931 -99.200 -91.000 PHE 291 1.000 62.709 45.440 61.940 -99.200 -91.000 PHE 294 1.000 52.566 42.306 68.656 -99.200 -91.000