============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. HIS 12 0.900 -1.627 -31.362 72.582 -99.200 -91.000 TRP 14 1.040 1.512 -28.151 68.205 -99.200 -91.000 TRP6 14 1.020 3.408 -29.475 68.724 -99.200 -91.000 TYR 19 0.840 -10.174 -16.537 73.266 -99.200 -91.000 PHE 24 1.000 -11.170 -20.727 71.200 -99.200 -91.000 HIS 31 0.900 7.599 -16.779 60.877 -99.200 -91.000 TRP 34 1.040 3.146 -15.437 58.855 -99.200 -91.000 TRP6 34 1.020 1.318 -14.694 57.558 -99.200 -91.000 HIS 40 0.900 -15.046 -23.651 59.977 -99.200 -91.000 PHE 42 1.000 -10.291 -16.061 61.176 -99.200 -91.000 HIS 44 0.900 -17.376 -14.344 61.343 -99.200 -91.000 HIS 57 0.900 -4.211 -26.773 81.033 -99.200 -91.000 PHE 58 1.000 -6.305 -24.269 83.860 -99.200 -91.000 PHE 59 1.000 -12.770 -21.048 75.689 -99.200 -91.000 PHE 69 1.000 1.953 -12.446 70.074 -99.200 -91.000 TYR 74 0.840 -9.843 -12.048 58.567 -99.200 -91.000 TYR 77 0.840 -5.765 -22.242 48.130 -99.200 -91.000 TYR 80 0.840 -13.469 -20.801 52.362 -99.200 -91.000 PHE 83 1.000 -21.607 -25.129 45.874 -99.200 -91.000 HIS 88 0.900 -9.585 -24.867 47.305 -99.200 -91.000 PHE 108 1.000 4.230 -23.765 80.244 -99.200 -91.000 PHE 121 1.000 2.289 -38.593 58.872 -99.200 -91.000 HIS 125 0.900 1.169 -42.691 61.811 -99.200 -91.000 TRP 132 1.040 -8.734 -24.818 75.680 -99.200 -91.000 TRP6 132 1.020 -7.185 -24.144 74.023 -99.200 -91.000 HIS 134 0.900 -19.758 -27.227 72.381 -99.200 -91.000 TYR 140 0.840 -16.515 -21.769 73.593 -99.200 -91.000 HIS 155 0.900 -9.904 -47.412 49.944 -99.200 -91.000 TYR 163 0.840 -17.977 -37.861 56.282 -99.200 -91.000 TYR 176 0.840 -11.267 -43.932 67.106 -99.200 -91.000 PHE 177 1.000 -15.802 -45.185 58.849 -99.200 -91.000 TYR 201 0.840 6.748 -33.716 60.197 -99.200 -91.000 TYR 203 0.840 -1.481 -36.233 56.782 -99.200 -91.000 TRP 208 1.040 -16.571 -31.071 56.969 -99.200 -91.000 TRP6 208 1.020 -18.167 -32.680 56.286 -99.200 -91.000 HIS 212 0.900 -24.109 -45.701 62.091 -99.200 -91.000 TYR 217 0.840 -9.465 -34.010 61.306 -99.200 -91.000 TYR 223 0.840 -4.875 -26.308 50.469 -99.200 -91.000 TRP 226 1.040 -1.590 -20.006 48.572 -99.200 -91.000 TRP6 226 1.020 -2.511 -19.312 50.628 -99.200 -91.000