============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 36 1.000 57.175 22.608 40.034 -99.200 -91.000 TRP 39 1.040 65.358 18.899 28.955 -99.200 -91.000 TRP6 39 1.020 67.444 19.855 28.383 -99.200 -91.000 TYR 53 0.840 54.617 17.502 32.313 -99.200 -91.000 PHE 66 1.000 62.083 15.542 20.763 -99.200 -91.000 PHE 75 1.000 67.521 18.158 36.205 -99.200 -91.000 TYR 90 0.840 66.127 20.463 20.633 -99.200 -91.000 TYR 91 0.840 65.868 28.564 24.139 -99.200 -91.000 TRP 93 1.040 61.071 27.903 32.872 -99.200 -91.000 TRP6 93 1.020 59.507 26.686 34.150 -99.200 -91.000 HIS 97 0.900 65.644 26.854 44.033 -99.200 -91.000 PHE 98 1.000 60.668 35.709 42.534 -99.200 -91.000 TYR 100 0.840 59.223 30.735 38.858 -99.200 -91.000 PHE 102 1.000 62.622 30.379 29.662 -99.200 -91.000 PHE 122 1.000 66.948 37.803 -9.188 -99.200 -91.000 PHE 139 1.000 67.145 36.534 -3.820 -99.200 -91.000 PHE 143 1.000 74.717 28.624 1.459 -99.200 -91.000 TYR 144 0.840 75.521 20.934 5.696 -99.200 -91.000 TRP 152 1.040 77.685 42.116 -4.065 -99.200 -91.000 TRP6 152 1.020 75.990 42.037 -5.712 -99.200 -91.000 TRP 167 1.040 74.621 34.734 6.041 -99.200 -91.000 TRP6 167 1.020 75.097 36.914 6.871 -99.200 -91.000 TYR 177 0.840 72.772 26.110 7.282 -99.200 -91.000 TYR 190 0.840 72.154 49.851 -12.267 -99.200 -91.000 HIS 193 0.900 80.873 52.416 -12.343 -99.200 -91.000 TYR 196 0.840 76.222 47.296 -11.915 -99.200 -91.000 HIS 202 0.900 79.292 25.820 -0.083 -99.200 -91.000 PHE 213 1.000 72.909 43.360 -13.546 -99.200 -91.000