============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 18 1.040 48.775 25.198 25.952 -99.200 -91.000 TRP6 18 1.020 47.260 26.798 26.785 -99.200 -91.000 PHE 33 1.000 47.071 46.132 18.892 -99.200 -91.000 TYR 43 0.840 34.394 40.289 21.131 -99.200 -91.000 PHE 58 1.000 39.734 33.804 20.169 -99.200 -91.000 PHE 60 1.000 41.829 28.459 22.686 -99.200 -91.000 PHE 74 1.000 44.279 26.276 31.651 -99.200 -91.000 TRP 76 1.040 42.427 35.654 29.447 -99.200 -91.000 TRP6 76 1.020 41.600 33.855 30.716 -99.200 -91.000 PHE 79 1.000 45.741 47.634 23.486 -99.200 -91.000 TYR 80 0.840 38.556 44.273 26.611 -99.200 -91.000 PHE 84 1.000 35.332 45.766 23.575 -99.200 -91.000 PHE 86 1.000 35.135 47.018 28.662 -99.200 -91.000 HIS 92 0.900 38.117 38.103 29.105 -99.200 -91.000 PHE 96 1.000 33.047 24.324 30.639 -99.200 -91.000 HIS 99 0.900 30.587 12.891 32.258 -99.200 -91.000 TYR 105 0.840 18.377 29.350 31.929 -99.200 -91.000 HIS 107 0.900 23.286 24.817 36.241 -99.200 -91.000 TRP 118 1.040 32.852 42.265 28.889 -99.200 -91.000 TRP6 118 1.020 33.020 40.712 27.118 -99.200 -91.000 TYR 127 0.840 28.419 33.269 34.580 -99.200 -91.000 TYR 129 0.840 26.143 27.846 33.837 -99.200 -91.000 HIS 146 0.900 21.047 33.140 32.573 -99.200 -91.000 PHE 150 1.000 30.566 33.149 44.042 -99.200 -91.000 PHE 151 1.000 36.263 36.304 43.582 -99.200 -91.000 PHE 155 1.000 39.094 41.068 40.658 -99.200 -91.000 TYR 161 0.840 37.979 51.850 27.417 -99.200 -91.000 TRP 164 1.040 49.268 44.392 25.395 -99.200 -91.000 TRP6 164 1.020 47.950 42.916 24.118 -99.200 -91.000 PHE 176 1.000 35.977 14.085 45.608 -99.200 -91.000 TYR 188 0.840 44.469 31.634 41.837 -99.200 -91.000 TRP 203 1.040 35.799 23.741 42.126 -99.200 -91.000 TRP6 203 1.020 34.619 25.165 40.658 -99.200 -91.000 PHE 214 1.000 41.760 28.201 28.648 -99.200 -91.000 TRP 216 1.040 39.120 32.218 24.203 -99.200 -91.000 TRP6 216 1.020 39.714 33.509 26.114 -99.200 -91.000 PHE 219 1.000 29.581 33.690 25.049 -99.200 -91.000 PHE 220 1.000 30.434 42.602 23.608 -99.200 -91.000 TYR 233 0.840 43.799 44.067 18.672 -99.200 -91.000 PHE 234 1.000 40.411 38.153 24.491 -99.200 -91.000 PHE 237 1.000 44.535 32.958 24.923 -99.200 -91.000 TYR 242 0.840 44.531 27.094 43.289 -99.200 -91.000