============================================================================= 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 15 0.900 -14.927 -9.159 -38.037 -99.200 -91.000 PHE 16 1.000 -10.262 -15.511 -35.548 -99.200 -91.000 TRP 20 1.040 -18.086 -1.559 -27.519 -99.200 -91.000 TRP6 20 1.020 -20.338 -1.621 -26.823 -99.200 -91.000 HIS 21 0.900 -16.602 -6.488 -33.624 -99.200 -91.000 TYR 24 0.840 -26.259 -4.342 -40.919 -99.200 -91.000 TRP 44 1.040 -20.321 -16.244 -25.226 -99.200 -91.000 TRP6 44 1.020 -22.282 -17.421 -24.614 -99.200 -91.000 PHE 47 1.000 -28.236 -9.418 -21.486 -99.200 -91.000 PHE 57 1.000 -25.304 -0.627 -14.734 -99.200 -91.000 TYR 58 0.840 -32.363 3.578 -7.231 -99.200 -91.000 TRP 61 1.040 -40.542 0.989 -18.536 -99.200 -91.000 TRP6 61 1.020 -40.663 -1.240 -17.756 -99.200 -91.000 TYR 64 0.840 -32.017 -0.514 -15.887 -99.200 -91.000 PHE 68 1.000 -28.400 2.109 -17.575 -99.200 -91.000 PHE 75 1.000 -22.423 -2.762 -22.428 -99.200 -91.000 TRP 76 1.040 -30.294 -2.715 -19.544 -99.200 -91.000 TRP6 76 1.020 -30.160 -4.876 -18.582 -99.200 -91.000 HIS 83 0.900 -38.965 -8.304 -28.073 -99.200 -91.000 PHE 100 1.000 -14.382 -5.586 -5.785 -99.200 -91.000 TYR 104 0.840 -11.744 -14.394 -14.240 -99.200 -91.000 PHE 106 1.000 -19.187 -21.435 -16.015 -99.200 -91.000 TYR 109 0.840 -29.233 -19.534 -15.968 -99.200 -91.000 PHE 112 1.000 -31.795 -13.375 -21.441 -99.200 -91.000 TYR 121 0.840 -38.894 -3.902 -22.108 -99.200 -91.000 PHE 128 1.000 -27.136 -23.728 -13.303 -99.200 -91.000 PHE 139 1.000 -36.764 -16.078 -6.230 -99.200 -91.000 HIS 140 0.900 -34.959 -13.046 -9.691 -99.200 -91.000 PHE 145 1.000 -35.609 -4.629 -16.061 -99.200 -91.000 PHE 163 1.000 -34.017 -6.160 -1.526 -99.200 -91.000 TRP 167 1.040 -32.605 -9.358 -11.383 -99.200 -91.000 TRP6 167 1.020 -30.756 -9.104 -12.831 -99.200 -91.000 TRP 168 1.040 -36.469 -9.699 -16.051 -99.200 -91.000 TRP6 168 1.020 -34.118 -9.793 -16.344 -99.200 -91.000 TYR 169 0.840 -35.564 -6.068 -8.081 -99.200 -91.000 HIS 173 0.900 -32.025 -9.561 -4.691 -99.200 -91.000 TYR 181 0.840 -18.303 -1.891 -8.904 -99.200 -91.000 HIS 186 0.900 -23.280 -5.804 0.054 -99.200 -91.000 PHE 189 1.000 -31.135 -9.454 2.854 -99.200 -91.000 TRP 195 1.040 -25.430 -16.050 -9.192 -99.200 -91.000 TRP6 195 1.020 -26.624 -15.441 -11.135 -99.200 -91.000 TYR 201 0.840 -29.962 -12.892 -0.670 -99.200 -91.000 TYR 203 0.840 -17.498 -10.405 -2.627 -99.200 -91.000 TYR 205 0.840 -20.129 -12.060 -7.770 -99.200 -91.000