============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 18 1.000 59.246 -36.744 45.082 -99.200 -91.000 HIS 22 0.900 64.873 -40.263 59.360 -99.200 -91.000 HIS 24 0.900 62.870 -36.389 63.019 -99.200 -91.000 PHE 28 1.000 58.821 -31.706 72.589 -99.200 -91.000 TRP 36 1.040 62.997 -25.796 83.743 -99.200 -91.000 TRP6 36 1.020 64.233 -27.811 83.723 -99.200 -91.000 HIS 38 0.900 62.071 -20.882 80.994 -99.200 -91.000 TYR 40 0.840 61.187 -26.324 74.534 -99.200 -91.000 PHE 46 1.000 50.532 -24.172 63.074 -99.200 -91.000 PHE 59 1.000 60.640 -26.303 45.712 -99.200 -91.000 PHE 78 1.000 53.979 -28.617 65.944 -99.200 -91.000 TYR 97 0.840 66.923 -40.737 68.466 -99.200 -91.000 TYR 99 0.840 71.968 -41.436 69.941 -99.200 -91.000 PHE 104 1.000 65.952 -43.324 86.566 -99.200 -91.000 TYR 105 0.840 57.066 -47.781 82.190 -99.200 -91.000 PHE 106 1.000 60.484 -48.304 78.666 -99.200 -91.000 PHE 118 1.000 58.274 -50.044 70.545 -99.200 -91.000 HIS 120 0.900 47.649 -48.091 73.374 -99.200 -91.000 PHE 135 1.000 57.228 -44.305 60.873 -99.200 -91.000 HIS 169 0.900 70.265 -41.831 64.780 -99.200 -91.000 HIS 173 0.900 81.325 -42.308 59.715 -99.200 -91.000 HIS 198 0.900 70.104 -41.033 60.324 -99.200 -91.000 TYR 207 0.840 78.267 -50.228 57.229 -99.200 -91.000 PHE 217 1.000 63.258 -50.425 50.430 -99.200 -91.000 TYR 223 0.840 71.669 -35.894 49.310 -99.200 -91.000 PHE 228 1.000 75.677 -35.603 61.405 -99.200 -91.000 TYR 246 0.840 73.984 -52.225 45.125 -99.200 -91.000 HIS 254 0.900 65.476 -32.868 51.965 -99.200 -91.000 TYR 256 0.840 64.984 -28.111 58.082 -99.200 -91.000 TRP 262 1.040 68.543 -32.954 70.099 -99.200 -91.000 TRP6 262 1.020 69.673 -34.781 69.111 -99.200 -91.000 TYR 269 0.840 75.654 -23.515 67.616 -99.200 -91.000 TRP 277 1.040 69.365 -30.215 57.274 -99.200 -91.000 TRP6 277 1.020 69.045 -30.030 59.610 -99.200 -91.000 PHE 283 1.000 61.615 -31.968 45.935 -99.200 -91.000 PHE 289 1.000 75.785 -34.761 41.019 -99.200 -91.000 PHE 304 1.000 63.308 -38.874 45.951 -99.200 -91.000 PHE 311 1.000 60.241 -48.937 55.059 -99.200 -91.000 PHE 312 1.000 55.156 -46.544 55.038 -99.200 -91.000