============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 29 1.000 64.990 5.368 53.712 -99.200 -91.000 TYR 32 0.840 72.427 2.309 53.885 -99.200 -91.000 PHE 34 1.000 66.401 0.733 54.053 -99.200 -91.000 TRP 36 1.040 60.383 -5.103 55.728 -99.200 -91.000 TRP6 36 1.020 60.150 -4.743 58.053 -99.200 -91.000 TRP 47 1.040 64.645 -11.942 50.196 -99.200 -91.000 TRP6 47 1.020 63.458 -11.527 48.198 -99.200 -91.000 HIS 59 0.900 62.076 -6.364 41.968 -99.200 -91.000 TYR 60 0.840 56.353 -7.067 47.157 -99.200 -91.000 HIS 63 0.900 56.016 -20.543 48.170 -99.200 -91.000 TYR 80 0.840 56.115 3.063 56.922 -99.200 -91.000 TYR 94 0.840 56.441 -11.131 59.839 -99.200 -91.000 PHE 95 1.000 64.879 -10.994 63.029 -99.200 -91.000 TYR 100 0.840 76.789 2.882 50.751 -99.200 -91.000 TYR 109 0.840 70.507 0.449 43.999 -99.200 -91.000 PHE 113 1.000 76.038 -8.014 50.404 -99.200 -91.000 HIS 116 0.900 74.393 -1.355 58.509 -99.200 -91.000 TRP 117 1.040 70.449 -8.615 59.225 -99.200 -91.000 TRP6 117 1.020 68.728 -10.141 58.676 -99.200 -91.000 PHE 136 1.000 48.368 -22.475 88.197 -99.200 -91.000 TYR 159 0.840 53.122 -16.839 78.230 -99.200 -91.000 PHE 160 1.000 47.770 -14.600 72.234 -99.200 -91.000 TRP 168 1.040 62.853 -18.616 89.817 -99.200 -91.000 TRP6 168 1.020 61.346 -19.895 91.120 -99.200 -91.000 HIS 178 0.900 69.125 -25.188 83.259 -99.200 -91.000 PHE 180 1.000 62.679 -26.202 81.344 -99.200 -91.000 TYR 190 0.840 52.314 -18.514 72.347 -99.200 -91.000 TYR 208 0.840 64.073 -21.204 97.426 -99.200 -91.000 HIS 214 0.900 51.938 -12.012 78.844 -99.200 -91.000