============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 5 0.840 35.865 -87.823 42.724 -99.200 -91.000 PHE 7 1.000 36.255 -86.564 37.136 -99.200 -91.000 PHE 12 1.000 48.148 -81.534 28.269 -99.200 -91.000 TYR 23 0.840 49.231 -75.793 40.591 -99.200 -91.000 TYR 75 0.840 61.623 -88.741 50.708 -99.200 -91.000 TYR 82 0.840 61.653 -92.869 49.531 -99.200 -91.000 HIS 94 0.900 61.614-109.390 43.955 -99.200 -91.000 TYR 97 0.840 65.143-107.840 34.331 -99.200 -91.000 TYR 101 0.840 64.183-111.232 31.429 -99.200 -91.000 TYR 104 0.840 67.581-109.075 42.855 -99.200 -91.000 PHE 130 1.000 53.022 -91.735 43.478 -99.200 -91.000 HIS 139 0.900 77.652-102.833 38.829 -99.200 -91.000 PHE 142 1.000 76.117-107.895 30.155 -99.200 -91.000 PHE 145 1.000 79.855 -98.868 40.203 -99.200 -91.000 TYR 148 0.840 69.626 -93.753 34.938 -99.200 -91.000 TYR 156 0.840 63.658 -92.694 32.315 -99.200 -91.000 PHE 157 1.000 65.156 -85.302 34.122 -99.200 -91.000 TRP 159 1.040 70.378 -85.442 37.082 -99.200 -91.000 TRP6 159 1.020 70.706 -83.216 36.357 -99.200 -91.000 PHE 174 1.000 80.682 -77.054 47.504 -99.200 -91.000 TRP 179 1.040 81.294 -85.469 38.771 -99.200 -91.000 TRP6 179 1.020 81.884 -85.454 36.486 -99.200 -91.000 HIS 190 0.900 86.558 -84.380 51.945 -99.200 -91.000 PHE 204 1.000 76.585 -82.078 58.123 -99.200 -91.000 TYR 223 0.840 73.388-116.962 49.973 -99.200 -91.000 PHE 234 1.000 71.283 -99.873 49.793 -99.200 -91.000