============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TYR 5 0.840 57.261 49.039 103.671 -99.200 -91.000 PHE 10 1.000 70.273 36.525 95.211 -99.200 -91.000 TYR 19 0.840 73.648 38.855 97.634 -99.200 -91.000 PHE 20 1.000 66.599 40.608 103.400 -99.200 -91.000 PHE 21 1.000 68.192 41.803 94.895 -99.200 -91.000 TYR 26 0.840 73.097 45.134 96.136 -99.200 -91.000 TYR 31 0.840 69.591 34.634 106.662 -99.200 -91.000 TYR 42 0.840 78.379 46.916 98.961 -99.200 -91.000 PHE 51 1.000 74.412 42.360 92.784 -99.200 -91.000 PHE 59 1.000 66.916 41.874 85.136 -99.200 -91.000 TYR 62 0.840 62.856 51.043 84.603 -99.200 -91.000 PHE 68 1.000 64.163 30.851 90.954 -99.200 -91.000 PHE 76 1.000 66.636 31.308 86.098 -99.200 -91.000 PHE 78 1.000 61.923 35.434 87.762 -99.200 -91.000 TYR 79 0.840 61.335 46.155 85.985 -99.200 -91.000 PHE 82 1.000 61.530 42.011 78.874 -99.200 -91.000 TYR 88 0.840 74.886 34.958 94.499 -99.200 -91.000 HIS 91 0.900 83.842 34.134 94.424 -99.200 -91.000 PHE 108 1.000 61.822 30.199 84.617 -99.200 -91.000 PHE 110 1.000 57.406 26.330 83.953 -99.200 -91.000 PHE 111 1.000 55.881 30.115 85.862 -99.200 -91.000 PHE 116 1.000 53.068 32.072 88.928 -99.200 -91.000 TYR 124 0.840 59.682 28.663 99.373 -99.200 -91.000 TYR 133 0.840 57.610 24.817 96.940 -99.200 -91.000 PHE 135 1.000 54.612 31.550 97.334 -99.200 -91.000 TYR 140 0.840 51.469 26.589 95.952 -99.200 -91.000 TYR 145 0.840 67.342 24.972 89.386 -99.200 -91.000 TYR 162 0.840 52.983 27.516 100.819 -99.200 -91.000 PHE 165 1.000 52.310 31.606 104.386 -99.200 -91.000 PHE 170 1.000 53.219 36.983 105.118 -99.200 -91.000 PHE 178 1.000 65.886 35.113 103.093 -99.200 -91.000 HIS 181 0.900 72.563 30.484 104.417 -99.200 -91.000 TYR 187 0.840 64.013 33.999 107.757 -99.200 -91.000 PHE 188 1.000 56.617 32.421 102.255 -99.200 -91.000 PHE 189 1.000 61.507 39.114 103.944 -99.200 -91.000 HIS 193 0.900 52.875 42.994 109.859 -99.200 -91.000 TYR 194 0.840 59.779 38.107 110.812 -99.200 -91.000 TYR 217 0.840 64.114 36.919 112.730 -99.200 -91.000 TRP 218 1.040 66.814 39.773 110.043 -99.200 -91.000 TRP6 218 1.020 65.051 39.235 108.554 -99.200 -91.000