============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 3 1.000 -19.152 -1.692 5.685 -99.200 -91.000 TYR 11 0.840 -34.574 -1.480 7.840 -99.200 -91.000 TYR 12 0.840 -32.760 1.423 1.236 -99.200 -91.000 PHE 23 1.000 -14.996 -10.149 -9.376 -99.200 -91.000 TYR 38 0.840 -31.437 7.107 -1.331 -99.200 -91.000 PHE 42 1.000 -28.055 -5.385 -4.234 -99.200 -91.000 HIS 71 0.900 -17.800 19.302 -6.150 -99.200 -91.000 HIS 78 0.900 -29.604 7.617 2.448 -99.200 -91.000 TYR 81 0.840 -29.047 -1.495 4.901 -99.200 -91.000 PHE 100 1.000 -19.734 3.476 -24.077 -99.200 -91.000 PHE 102 1.000 -25.602 13.688 -24.148 -99.200 -91.000 PHE 116 1.000 -21.629 16.365 -21.367 -99.200 -91.000 TYR 125 0.840 -9.674 22.911 -7.126 -99.200 -91.000 TYR 126 0.840 -15.168 17.300 -2.761 -99.200 -91.000 HIS 128 0.900 -6.735 14.825 -8.787 -99.200 -91.000 HIS 134 0.900 -12.908 7.733 -10.474 -99.200 -91.000 PHE 135 1.000 -4.845 5.934 -8.749 -99.200 -91.000 PHE 159 1.000 -15.648 8.287 -6.216 -99.200 -91.000 HIS 163 0.900 -6.013 2.558 -4.129 -99.200 -91.000 PHE 167 1.000 3.470 8.126 2.945 -99.200 -91.000 PHE 171 1.000 5.833 0.108 -6.616 -99.200 -91.000 PHE 175 1.000 -2.825 -1.941 -16.189 -99.200 -91.000 PHE 180 1.000 -11.345 5.642 -21.517 -99.200 -91.000 TYR 188 0.840 2.129 -3.770 -14.254 -99.200 -91.000 TRP 198 1.040 -2.989 9.111 -20.102 -99.200 -91.000 TRP6 198 1.020 -1.048 9.466 -21.420 -99.200 -91.000 TYR 205 0.840 -7.812 12.020 -29.841 -99.200 -91.000 PHE 214 1.000 -2.784 7.493 -25.965 -99.200 -91.000 TYR 231 0.840 -1.740 12.416 -28.432 -99.200 -91.000 PHE 233 1.000 -4.407 16.651 -30.853 -99.200 -91.000 TYR 237 0.840 -11.784 10.863 -36.532 -99.200 -91.000 PHE 238 1.000 -8.994 15.786 -32.602 -99.200 -91.000 PHE 248 1.000 -7.933 20.806 -21.031 -99.200 -91.000 HIS 269 0.900 -5.237 25.158 -21.838 -99.200 -91.000 TRP 271 1.040 -10.788 24.623 -25.262 -99.200 -91.000 TRP6 271 1.020 -11.335 22.408 -24.635 -99.200 -91.000 PHE 277 1.000 -2.733 -9.245 -17.388 -99.200 -91.000