============================================================================= 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 12 0.900 -15.184 7.736 -36.360 -99.200 -91.000 PHE 13 1.000 -18.388 0.521 -33.652 -99.200 -91.000 TRP 17 1.040 -10.270 14.621 -25.748 -99.200 -91.000 TRP6 17 1.020 -11.471 16.511 -25.010 -99.200 -91.000 HIS 18 0.900 -13.887 10.537 -31.942 -99.200 -91.000 TYR 21 0.840 -16.697 20.194 -39.117 -99.200 -91.000 TRP 41 1.040 -24.151 9.149 -23.543 -99.200 -91.000 TRP6 41 1.020 -26.134 10.245 -22.889 -99.200 -91.000 PHE 44 1.000 -22.147 19.601 -19.827 -99.200 -91.000 PHE 54 1.000 -13.310 21.545 -12.980 -99.200 -91.000 TYR 55 0.840 -13.387 29.693 -5.401 -99.200 -91.000 TRP 58 1.040 -19.545 35.420 -16.859 -99.200 -91.000 TRP6 58 1.020 -21.533 34.376 -16.133 -99.200 -91.000 TYR 61 0.840 -16.604 27.323 -14.203 -99.200 -91.000 PHE 65 1.000 -12.342 25.431 -15.720 -99.200 -91.000 PHE 72 1.000 -13.430 17.931 -20.519 -99.200 -91.000 TRP 73 1.040 -17.377 24.586 -17.826 -99.200 -91.000 TRP6 73 1.020 -19.181 23.430 -16.845 -99.200 -91.000 HIS 80 0.900 -26.674 29.079 -26.546 -99.200 -91.000 PHE 97 1.000 -12.026 9.509 -3.766 -99.200 -91.000 TYR 101 0.840 -18.365 2.827 -12.346 -99.200 -91.000 PHE 103 1.000 -28.235 5.851 -14.389 -99.200 -91.000 TYR 106 0.840 -31.726 15.309 -14.441 -99.200 -91.000 PHE 109 1.000 -27.633 20.440 -19.650 -99.200 -91.000 TYR 118 0.840 -22.808 31.383 -20.532 -99.200 -91.000 PHE 125 1.000 -34.183 11.139 -11.605 -99.200 -91.000 PHE 136 1.000 -32.430 23.626 -4.852 -99.200 -91.000 HIS 137 0.900 -28.933 23.729 -8.028 -99.200 -91.000 PHE 142 1.000 -22.078 28.006 -14.415 -99.200 -91.000 PHE 160 1.000 -22.550 26.294 0.287 -99.200 -91.000 TRP 164 1.040 -24.607 23.309 -9.717 -99.200 -91.000 TRP6 164 1.020 -23.407 21.877 -11.154 -99.200 -91.000 TRP 165 1.040 -26.598 26.246 -14.491 -99.200 -91.000 TRP6 165 1.020 -25.526 24.145 -14.641 -99.200 -91.000 TYR 166 0.840 -23.151 27.533 -6.521 -99.200 -91.000 HIS 170 0.900 -24.516 22.814 -3.166 -99.200 -91.000 TYR 178 0.840 -10.967 14.813 -6.894 -99.200 -91.000 HIS 183 0.900 -17.083 17.256 1.986 -99.200 -91.000 PHE 186 1.000 -24.069 22.285 4.631 -99.200 -91.000 TRP 192 1.040 -26.726 13.801 -7.474 -99.200 -91.000 TRP6 192 1.020 -26.794 15.114 -9.426 -99.200 -91.000 TYR 198 0.840 -26.510 19.458 1.015 -99.200 -91.000 TYR 200 0.840 -18.042 9.797 -0.624 -99.200 -91.000 TYR 202 0.840 -20.785 11.252 -5.924 -99.200 -91.000