============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. TRP 7 1.040 38.836 36.721 84.763 -99.200 -91.000 TRP6 7 1.020 38.708 34.389 84.389 -99.200 -91.000 PHE 10 1.000 35.766 40.425 82.228 -99.200 -91.000 PHE 11 1.000 31.282 36.549 87.931 -99.200 -91.000 PHE 14 1.000 27.465 41.941 81.533 -99.200 -91.000 PHE 35 1.000 34.872 36.622 90.975 -99.200 -91.000 TYR 44 0.840 25.249 26.993 94.372 -99.200 -91.000 PHE 50 1.000 20.617 14.898 85.453 -99.200 -91.000 HIS 53 0.900 17.063 13.001 82.527 -99.200 -91.000 PHE 56 1.000 22.088 9.570 83.600 -99.200 -91.000 PHE 67 1.000 17.054 12.209 61.851 -99.200 -91.000 PHE 70 1.000 10.697 12.022 72.666 -99.200 -91.000 TRP 72 1.040 2.431 21.414 74.053 -99.200 -91.000 TRP6 72 1.020 1.067 22.925 72.846 -99.200 -91.000 PHE 79 1.000 8.518 28.504 80.162 -99.200 -91.000 HIS 82 0.900 9.844 24.783 77.840 -99.200 -91.000 TRP 98 1.040 6.949 19.403 77.311 -99.200 -91.000 TRP6 98 1.020 6.669 17.725 75.664 -99.200 -91.000 TYR 100 0.840 16.029 15.981 78.244 -99.200 -91.000 PHE 103 1.000 13.900 11.671 76.875 -99.200 -91.000 TYR 115 0.840 21.626 4.918 82.944 -99.200 -91.000 TYR 121 0.840 25.806 15.615 86.909 -99.200 -91.000 TYR 131 0.840 16.916 12.722 88.705 -99.200 -91.000 TRP 132 1.040 16.211 17.806 85.564 -99.200 -91.000 TRP6 132 1.020 14.709 15.991 85.357 -99.200 -91.000 PHE 147 1.000 28.839 15.123 82.462 -99.200 -91.000 TYR 152 0.840 37.534 18.056 73.904 -99.200 -91.000 PHE 158 1.000 26.105 7.135 79.976 -99.200 -91.000 HIS 162 0.900 23.452 6.239 72.585 -99.200 -91.000 TRP 178 1.040 34.708 30.514 66.199 -99.200 -91.000 TRP6 178 1.020 32.693 30.876 67.378 -99.200 -91.000 TRP 186 1.040 16.413 30.824 86.676 -99.200 -91.000 TRP6 186 1.020 14.166 31.409 86.215 -99.200 -91.000 TRP 192 1.040 23.961 25.499 87.286 -99.200 -91.000 TRP6 192 1.020 26.118 24.894 88.046 -99.200 -91.000 TRP 193 1.040 25.872 29.099 78.502 -99.200 -91.000 TRP6 193 1.020 27.291 30.469 77.201 -99.200 -91.000 TRP 196 1.040 33.768 21.628 74.476 -99.200 -91.000 TRP6 196 1.020 32.472 19.872 75.400 -99.200 -91.000 TRP 199 1.040 39.040 28.639 70.200 -99.200 -91.000 TRP6 199 1.020 38.752 30.252 68.498 -99.200 -91.000 PHE 205 1.000 36.774 21.119 78.254 -99.200 -91.000 PHE 206 1.000 31.261 28.037 78.766 -99.200 -91.000 PHE 220 1.000 21.276 40.798 81.064 -99.200 -91.000