============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 27 0.840 41.605 90.637 30.236 -99.200 -91.000 PHE 29 1.000 43.133 96.852 31.508 -99.200 -91.000 TYR 32 0.840 43.533 87.365 34.175 -99.200 -91.000 TRP 33 1.040 51.932 90.701 35.830 -99.200 -91.000 TRP6 33 1.020 53.164 92.701 36.103 -99.200 -91.000 TRP 36 1.040 52.226 97.801 25.655 -99.200 -91.000 TRP6 36 1.020 50.853 98.076 23.749 -99.200 -91.000 TRP 47 1.040 58.006 90.718 27.311 -99.200 -91.000 TRP6 47 1.020 59.088 91.776 29.128 -99.200 -91.000 HIS 52 0.900 48.406 93.094 37.860 -99.200 -91.000 PHE 64 1.000 62.621 97.214 23.385 -99.200 -91.000 TYR 80 0.840 46.224 105.011 26.819 -99.200 -91.000 TYR 93 0.840 56.330 99.355 18.370 -99.200 -91.000 TYR 94 0.840 51.940 91.818 16.821 -99.200 -91.000 TYR 100 0.840 48.006 82.712 36.014 -99.200 -91.000 PHE 104 1.000 42.834 85.011 25.839 -99.200 -91.000 TRP 105 1.040 50.085 87.261 21.413 -99.200 -91.000 TRP6 105 1.020 52.208 88.119 20.834 -99.200 -91.000 TYR 124 0.840 63.706 105.542 -13.150 -99.200 -91.000 TYR 147 0.840 56.876 102.825 -3.610 -99.200 -91.000 PHE 148 1.000 56.788 107.777 3.447 -99.200 -91.000 TRP 156 1.040 54.103 93.238 -15.125 -99.200 -91.000 TRP6 156 1.020 55.986 94.272 -16.131 -99.200 -91.000 HIS 166 0.900 57.818 85.463 -9.379 -99.200 -91.000 PHE 168 1.000 61.327 90.164 -7.187 -99.200 -91.000 TYR 177 0.840 58.045 102.282 2.048 -99.200 -91.000 TRP 190 1.040 58.929 92.992 -25.266 -99.200 -91.000 TRP6 190 1.020 61.289 92.940 -25.358 -99.200 -91.000 HIS 201 0.900 52.334 106.552 -4.029 -99.200 -91.000