============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 8 1.000 51.126 14.813 85.092 -99.200 -91.000 PHE 28 1.000 45.789 27.301 77.008 -99.200 -91.000 TYR 71 0.840 44.599 22.483 74.301 -99.200 -91.000 PHE 74 1.000 56.056 20.872 81.409 -99.200 -91.000 TYR 79 0.840 67.841 9.019 86.565 -99.200 -91.000 TRP 80 1.040 68.336 14.042 88.664 -99.200 -91.000 TRP6 80 1.020 70.330 12.780 88.528 -99.200 -91.000 HIS 105 0.900 41.305 17.711 71.858 -99.200 -91.000 TYR 106 0.840 50.876 20.603 71.784 -99.200 -91.000 TYR 109 0.840 58.475 13.156 77.988 -99.200 -91.000 HIS 127 0.900 71.475 12.302 83.322 -99.200 -91.000 PHE 128 1.000 70.887 14.189 78.626 -99.200 -91.000 TYR 137 0.840 54.808 3.710 74.396 -99.200 -91.000 PHE 138 1.000 54.189 11.123 75.470 -99.200 -91.000 TYR 153 0.840 66.853 22.906 85.190 -99.200 -91.000 PHE 154 1.000 71.549 30.400 81.938 -99.200 -91.000 HIS 160 0.900 72.636 19.536 91.135 -99.200 -91.000 PHE 161 1.000 77.262 21.298 87.010 -99.200 -91.000 TYR 172 0.840 85.089 31.382 96.083 -99.200 -91.000 TYR 205 0.840 56.391 25.532 67.144 -99.200 -91.000 HIS 217 0.900 78.106 32.160 77.233 -99.200 -91.000 TYR 222 0.840 78.063 28.370 81.871 -99.200 -91.000 HIS 229 0.900 76.993 39.677 85.676 -99.200 -91.000 HIS 235 0.900 91.517 31.969 88.265 -99.200 -91.000 TYR 244 0.840 80.856 15.181 87.147 -99.200 -91.000 PHE 249 1.000 78.319 5.004 94.965 -99.200 -91.000 PHE 259 1.000 78.858 18.149 82.331 -99.200 -91.000 PHE 261 1.000 73.899 14.111 73.155 -99.200 -91.000 TYR 262 0.840 74.986 18.745 78.066 -99.200 -91.000 TRP 286 1.040 69.582 32.964 86.128 -99.200 -91.000 TRP6 286 1.020 71.327 32.131 87.461 -99.200 -91.000 HIS 290 0.900 68.128 34.782 89.674 -99.200 -91.000 PHE 294 1.000 76.084 32.314 91.572 -99.200 -91.000