============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. HIS 13 0.900 48.520 44.834 8.139 -99.200 -91.000 PHE 14 1.000 56.405 44.695 5.973 -99.200 -91.000 TRP 18 1.040 40.597 43.555 -2.530 -99.200 -91.000 TRP6 18 1.020 39.433 45.490 -3.244 -99.200 -91.000 HIS 19 0.900 45.505 45.030 3.864 -99.200 -91.000 TYR 22 0.840 37.871 51.556 11.069 -99.200 -91.000 TRP 42 1.040 51.507 53.962 -4.216 -99.200 -91.000 TRP6 42 1.020 51.400 56.218 -4.935 -99.200 -91.000 PHE 45 1.000 41.342 56.650 -8.009 -99.200 -91.000 PHE 55 1.000 35.855 49.627 -15.125 -99.200 -91.000 TYR 56 0.840 28.462 53.129 -22.525 -99.200 -91.000 TRP 59 1.040 25.742 60.774 -11.073 -99.200 -91.000 TRP6 59 1.020 27.466 62.180 -11.817 -99.200 -91.000 TYR 62 0.840 31.861 54.897 -13.772 -99.200 -91.000 PHE 66 1.000 31.821 50.332 -12.263 -99.200 -91.000 PHE 73 1.000 39.191 48.095 -7.457 -99.200 -91.000 TRP 74 1.040 34.732 54.487 -10.188 -99.200 -91.000 TRP6 74 1.020 36.527 55.689 -11.117 -99.200 -91.000 HIS 81 0.900 34.306 64.669 -1.493 -99.200 -91.000 PHE 98 1.000 46.635 43.471 -24.124 -99.200 -91.000 TYR 102 0.840 54.746 46.610 -15.172 -99.200 -91.000 PHE 104 1.000 56.459 56.529 -13.104 -99.200 -91.000 TYR 107 0.840 49.158 63.721 -13.157 -99.200 -91.000 PHE 110 1.000 42.500 62.030 -7.986 -99.200 -91.000 TYR 119 0.840 30.750 62.280 -7.283 -99.200 -91.000 PHE 126 1.000 53.910 64.302 -15.790 -99.200 -91.000 PHE 137 1.000 42.268 68.317 -22.957 -99.200 -91.000 HIS 138 0.900 40.377 64.769 -19.531 -99.200 -91.000 PHE 143 1.000 33.271 60.209 -13.410 -99.200 -91.000 PHE 161 1.000 35.688 60.282 -27.792 -99.200 -91.000 TRP 165 1.040 38.924 60.601 -18.016 -99.200 -91.000 TRP6 165 1.020 39.789 58.883 -16.629 -99.200 -91.000 TRP 166 1.040 36.920 63.699 -13.361 -99.200 -91.000 TRP6 166 1.020 38.370 61.869 -13.096 -99.200 -91.000 TYR 167 0.840 34.568 61.152 -21.445 -99.200 -91.000 HIS 171 0.900 39.571 60.550 -24.669 -99.200 -91.000 TYR 179 0.840 41.075 44.602 -21.082 -99.200 -91.000 HIS 184 0.900 41.618 51.251 -29.709 -99.200 -91.000 PHE 187 1.000 40.146 59.777 -32.204 -99.200 -91.000 TRP 193 1.040 48.537 58.569 -20.145 -99.200 -91.000 TRP6 193 1.020 47.312 59.144 -18.223 -99.200 -91.000 TYR 199 0.840 43.601 60.857 -28.677 -99.200 -91.000 TYR 201 0.840 48.694 49.168 -27.041 -99.200 -91.000 TYR 203 0.840 48.476 52.002 -21.934 -99.200 -91.000