============================================================================= 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 35.656 -88.403 43.269 -99.200 -91.000 PHE 7 1.000 35.721 -87.115 37.703 -99.200 -91.000 PHE 12 1.000 47.685 -81.817 28.687 -99.200 -91.000 TYR 23 0.840 48.742 -76.575 41.400 -99.200 -91.000 TYR 75 0.840 61.213 -88.911 51.007 -99.200 -91.000 TYR 82 0.840 61.226 -93.034 49.948 -99.200 -91.000 HIS 94 0.900 61.360-109.710 44.515 -99.200 -91.000 TYR 97 0.840 64.669-107.922 34.807 -99.200 -91.000 TYR 101 0.840 63.732-111.568 31.648 -99.200 -91.000 TYR 104 0.840 67.197-109.363 43.368 -99.200 -91.000 PHE 130 1.000 52.474 -92.371 43.845 -99.200 -91.000 HIS 139 0.900 77.630-102.953 39.443 -99.200 -91.000 PHE 142 1.000 75.874-108.139 30.528 -99.200 -91.000 PHE 145 1.000 79.393 -98.807 40.906 -99.200 -91.000 TYR 148 0.840 68.900 -93.935 35.445 -99.200 -91.000 TYR 156 0.840 63.094 -92.956 33.147 -99.200 -91.000 PHE 157 1.000 64.741 -85.585 34.525 -99.200 -91.000 TRP 159 1.040 70.185 -85.920 37.433 -99.200 -91.000 TRP6 159 1.020 70.667 -83.719 36.722 -99.200 -91.000 PHE 174 1.000 80.205 -77.767 47.832 -99.200 -91.000 TRP 179 1.040 80.795 -85.951 39.604 -99.200 -91.000 TRP6 179 1.020 81.243 -86.293 37.305 -99.200 -91.000 HIS 190 0.900 85.727 -84.785 52.551 -99.200 -91.000 PHE 204 1.000 76.270 -82.389 58.284 -99.200 -91.000 TYR 223 0.840 73.358-117.261 50.519 -99.200 -91.000 PHE 234 1.000 71.017 -99.930 50.213 -99.200 -91.000