============================================================================= 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 10 1.000 42.549 11.439 106.528 -99.200 -91.000 PHE 24 1.000 33.873 3.331 105.360 -99.200 -91.000 PHE 28 1.000 25.163 5.794 109.800 -99.200 -91.000 TYR 38 0.840 23.863 13.412 121.127 -99.200 -91.000 TYR 44 0.840 22.427 18.026 121.668 -99.200 -91.000 TYR 60 0.840 10.478 13.183 105.194 -99.200 -91.000 TYR 66 0.840 19.515 18.136 117.744 -99.200 -91.000 TYR 68 0.840 22.224 23.263 120.247 -99.200 -91.000 TYR 80 0.840 9.384 24.673 113.384 -99.200 -91.000 PHE 85 1.000 21.138 29.992 111.990 -99.200 -91.000 TYR 90 0.840 38.265 30.255 109.442 -99.200 -91.000 TYR 95 0.840 28.473 24.735 106.082 -99.200 -91.000 PHE 109 1.000 13.983 27.745 100.679 -99.200 -91.000 TRP 110 1.040 11.210 31.915 98.250 -99.200 -91.000 TRP6 110 1.020 13.418 32.308 97.479 -99.200 -91.000 TRP 114 1.040 14.721 40.140 102.006 -99.200 -91.000 TRP6 114 1.020 14.900 40.625 99.720 -99.200 -91.000 TYR 116 0.840 18.632 34.078 109.699 -99.200 -91.000 TYR 128 0.840 6.469 14.628 91.434 -99.200 -91.000 TYR 138 0.840 13.438 26.025 96.551 -99.200 -91.000 TRP 139 1.040 13.242 25.605 90.878 -99.200 -91.000 TRP6 139 1.020 12.691 23.805 92.306 -99.200 -91.000 PHE 149 1.000 7.148 30.873 95.654 -99.200 -91.000 PHE 152 1.000 9.965 37.220 100.866 -99.200 -91.000 TYR 165 0.840 27.241 21.107 89.566 -99.200 -91.000 PHE 174 1.000 10.403 41.776 102.013 -99.200 -91.000 TYR 182 0.840 24.717 33.881 91.588 -99.200 -91.000 PHE 184 1.000 25.811 26.661 93.005 -99.200 -91.000 HIS 185 0.900 16.899 20.540 91.227 -99.200 -91.000 TYR 186 0.840 24.754 16.033 92.456 -99.200 -91.000 TRP 189 1.040 23.128 11.610 96.471 -99.200 -91.000 TRP6 189 1.020 24.289 13.445 97.431 -99.200 -91.000 HIS 192 0.900 16.797 6.766 103.809 -99.200 -91.000 TRP 206 1.040 36.215 24.501 91.361 -99.200 -91.000 TRP6 206 1.020 38.529 24.330 91.849 -99.200 -91.000 TYR 211 0.840 28.296 31.100 91.120 -99.200 -91.000 HIS 222 0.900 16.292 22.318 99.395 -99.200 -91.000 TYR 238 0.840 33.846 22.207 109.924 -99.200 -91.000 TRP 240 1.040 38.354 21.762 99.146 -99.200 -91.000 TRP6 240 1.020 37.290 22.959 97.388 -99.200 -91.000 PHE 252 1.000 39.232 15.688 109.189 -99.200 -91.000 PHE 255 1.000 32.821 8.104 115.568 -99.200 -91.000 TYR 275 0.840 31.163 7.364 108.842 -99.200 -91.000 TYR 279 0.840 37.903 7.099 104.527 -99.200 -91.000 PHE 286 1.000 42.857 15.063 104.889 -99.200 -91.000