============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 2 1.000 100.179 55.337 -0.778 -99.200 -91.000 PHE 14 1.000 97.282 61.492 29.913 -99.200 -91.000 HIS 24 0.900 90.578 51.013 3.832 -99.200 -91.000 TYR 38 0.840 80.307 30.842 15.205 -99.200 -91.000 TYR 56 0.840 73.327 7.132 20.518 -99.200 -91.000 PHE 70 1.000 76.289 11.611 20.980 -99.200 -91.000 TRP 80 1.040 79.789 24.887 14.467 -99.200 -91.000 TRP6 80 1.020 79.596 24.106 16.692 -99.200 -91.000 TYR 89 0.840 86.130 14.370 6.642 -99.200 -91.000 HIS 91 0.900 79.886 8.837 13.176 -99.200 -91.000 TYR 102 0.840 92.069 11.188 8.776 -99.200 -91.000 TYR 104 0.840 84.490 7.651 16.263 -99.200 -91.000 TRP 121 1.040 94.331 26.620 28.363 -99.200 -91.000 TRP6 121 1.020 96.276 27.610 29.274 -99.200 -91.000 HIS 124 0.900 93.719 34.290 24.762 -99.200 -91.000 TYR 133 0.840 82.320 28.753 11.389 -99.200 -91.000 HIS 136 0.900 88.474 21.914 12.193 -99.200 -91.000 TYR 144 0.840 93.998 32.120 7.754 -99.200 -91.000 TYR 147 0.840 101.979 21.532 7.629 -99.200 -91.000 HIS 162 0.900 108.428 25.973 -8.753 -99.200 -91.000 TYR 172 0.840 113.580 29.876 5.179 -99.200 -91.000 TYR 179 0.840 103.960 32.745 11.038 -99.200 -91.000 TYR 182 0.840 103.911 41.395 2.828 -99.200 -91.000 TYR 187 0.840 116.356 35.738 14.206 -99.200 -91.000 PHE 190 1.000 104.003 26.881 15.112 -99.200 -91.000 PHE 193 1.000 110.131 33.503 20.738 -99.200 -91.000 TYR 227 0.840 118.413 41.151 14.821 -99.200 -91.000 PHE 230 1.000 110.596 44.457 15.280 -99.200 -91.000 PHE 246 1.000 94.058 45.446 20.819 -99.200 -91.000 HIS 248 0.900 104.088 45.442 24.176 -99.200 -91.000 PHE 253 1.000 107.973 48.233 22.304 -99.200 -91.000 TRP 256 1.040 104.020 43.195 32.148 -99.200 -91.000 TRP6 256 1.020 102.273 42.156 30.924 -99.200 -91.000 TRP 268 1.040 102.345 36.202 30.189 -99.200 -91.000 TRP6 268 1.020 101.610 34.590 31.757 -99.200 -91.000 TRP 269 1.040 96.429 34.856 31.573 -99.200 -91.000 TRP6 269 1.020 96.894 33.046 33.016 -99.200 -91.000 TYR 281 0.840 94.550 19.112 24.617 -99.200 -91.000 HIS 309 0.900 92.553 36.278 18.417 -99.200 -91.000 PHE 317 1.000 84.908 41.527 13.142 -99.200 -91.000 TYR 325 0.840 75.752 24.273 19.774 -99.200 -91.000