============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TYR 26 0.840 75.219 -0.278 -15.098 -99.200 -91.000 PHE 28 1.000 72.076 5.648 -12.613 -99.200 -91.000 PHE 31 1.000 70.920 -3.258 -17.998 -99.200 -91.000 TRP 35 1.040 67.426 1.260 -2.977 -99.200 -91.000 TRP6 35 1.020 69.611 1.563 -2.107 -99.200 -91.000 TRP 46 1.040 62.349 -6.189 -4.645 -99.200 -91.000 TRP6 46 1.020 60.259 -5.175 -5.135 -99.200 -91.000 TRP 49 1.040 60.825 -1.690 -9.553 -99.200 -91.000 TRP6 49 1.020 61.433 -1.061 -11.760 -99.200 -91.000 TYR 53 0.840 64.975 6.606 -20.817 -99.200 -91.000 TYR 59 0.840 58.585 3.894 -2.536 -99.200 -91.000 PHE 63 1.000 60.608 -2.629 3.597 -99.200 -91.000 PHE 67 1.000 61.195 2.186 4.951 -99.200 -91.000 PHE 69 1.000 63.038 2.637 -3.103 -99.200 -91.000 TYR 79 0.840 71.836 9.980 -3.773 -99.200 -91.000 TYR 92 0.840 68.360 -0.738 5.463 -99.200 -91.000 PHE 93 1.000 73.311 -6.648 1.393 -99.200 -91.000 PHE 98 1.000 71.307 -8.509 -18.305 -99.200 -91.000 TYR 99 0.840 62.852 -7.859 -19.097 -99.200 -91.000 TYR 100 0.840 68.149 -7.712 -23.014 -99.200 -91.000 TYR 101 0.840 60.749 -4.051 -26.993 -99.200 -91.000 TYR 105 0.840 67.268 -16.509 -20.386 -99.200 -91.000 PHE 106 1.000 63.529 -8.805 -13.254 -99.200 -91.000 TYR 107 0.840 70.288 -12.552 -14.968 -99.200 -91.000 PHE 108 1.000 66.681 -8.141 -8.041 -99.200 -91.000 TYR 110 0.840 77.770 -6.914 -12.556 -99.200 -91.000 TRP 111 1.040 73.004 -8.914 -5.678 -99.200 -91.000 TRP6 111 1.020 71.305 -8.996 -4.022 -99.200 -91.000 TYR 130 0.840 82.702 -4.343 34.653 -99.200 -91.000 TYR 147 0.840 81.239 -2.349 22.811 -99.200 -91.000 PHE 148 1.000 76.087 3.579 19.498 -99.200 -91.000 TRP 156 1.040 91.589 -13.954 25.289 -99.200 -91.000 TRP6 156 1.020 91.095 -13.493 27.561 -99.200 -91.000 HIS 166 0.900 85.057 -21.249 21.760 -99.200 -91.000 PHE 168 1.000 80.988 -16.794 23.165 -99.200 -91.000 TYR 177 0.840 76.606 -2.399 19.634 -99.200 -91.000 TRP 190 1.040 95.205 -17.617 35.320 -99.200 -91.000 TRP6 190 1.020 93.482 -18.248 36.826 -99.200 -91.000 HIS 201 0.900 84.517 2.115 21.597 -99.200 -91.000