============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 10 1.000 9.869 0.965 100.886 -99.200 -91.000 TYR 18 0.840 20.188 -0.209 79.979 -99.200 -91.000 TRP 45 1.040 9.267 20.067 84.019 -99.200 -91.000 TRP6 45 1.020 8.797 20.100 86.327 -99.200 -91.000 PHE 47 1.000 11.378 16.144 81.334 -99.200 -91.000 TYR 64 0.840 32.839 7.702 86.292 -99.200 -91.000 PHE 84 1.000 16.294 31.410 92.923 -99.200 -91.000 TYR 85 0.840 13.439 27.836 94.093 -99.200 -91.000 TRP 86 1.040 19.196 24.950 86.981 -99.200 -91.000 TRP6 86 1.020 20.260 22.963 86.289 -99.200 -91.000 TYR 87 0.840 20.724 23.685 91.704 -99.200 -91.000 TRP 109 1.040 21.131 11.465 88.400 -99.200 -91.000 TRP6 109 1.020 19.515 12.452 89.787 -99.200 -91.000 TYR 113 0.840 24.622 20.993 88.776 -99.200 -91.000 TYR 115 0.840 31.189 15.455 87.818 -99.200 -91.000 TYR 124 0.840 28.175 14.560 70.419 -99.200 -91.000 HIS 126 0.900 22.558 20.562 67.253 -99.200 -91.000 PHE 139 1.000 14.275 4.902 78.146 -99.200 -91.000 TYR 141 0.840 11.280 -4.133 78.257 -99.200 -91.000 TYR 152 0.840 15.406 2.196 108.572 -99.200 -91.000 HIS 158 0.900 20.459 12.806 112.999 -99.200 -91.000 TYR 159 0.840 12.986 10.053 116.157 -99.200 -91.000 TYR 162 0.840 23.174 15.601 112.832 -99.200 -91.000