============================================================================= 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 35.815 -87.814 42.937 -99.200 -91.000 PHE 7 1.000 35.861 -86.686 37.294 -99.200 -91.000 PHE 12 1.000 47.926 -81.438 28.429 -99.200 -91.000 TYR 23 0.840 48.819 -76.039 41.161 -99.200 -91.000 TYR 75 0.840 61.261 -88.666 50.861 -99.200 -91.000 TYR 82 0.840 61.295 -92.703 49.852 -99.200 -91.000 HIS 94 0.900 61.350-109.414 44.359 -99.200 -91.000 TYR 97 0.840 64.647-107.470 34.676 -99.200 -91.000 TYR 101 0.840 63.469-110.863 31.390 -99.200 -91.000 TYR 104 0.840 67.117-109.005 43.116 -99.200 -91.000 PHE 130 1.000 52.674 -91.866 43.562 -99.200 -91.000 HIS 139 0.900 77.403-102.536 39.220 -99.200 -91.000 PHE 142 1.000 75.563-107.639 30.202 -99.200 -91.000 PHE 145 1.000 79.471 -98.706 40.567 -99.200 -91.000 TYR 148 0.840 69.007 -93.564 35.099 -99.200 -91.000 TYR 156 0.840 63.305 -92.523 32.832 -99.200 -91.000 PHE 157 1.000 64.916 -85.291 34.346 -99.200 -91.000 TRP 159 1.040 70.146 -85.733 37.352 -99.200 -91.000 TRP6 159 1.020 70.395 -83.490 36.665 -99.200 -91.000 PHE 174 1.000 80.449 -77.497 47.637 -99.200 -91.000 TRP 179 1.040 80.832 -85.612 39.306 -99.200 -91.000 TRP6 179 1.020 81.369 -85.795 37.008 -99.200 -91.000 HIS 190 0.900 85.756 -84.351 52.027 -99.200 -91.000 PHE 204 1.000 76.574 -82.083 58.188 -99.200 -91.000 TYR 223 0.840 73.176-117.046 50.050 -99.200 -91.000 PHE 234 1.000 70.971 -99.558 49.955 -99.200 -91.000