============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 10 1.040 -2.105 -1.780 98.022 -99.200 -91.000 TRP6 10 1.020 0.161 -1.253 97.592 -99.200 -91.000 PHE 14 1.000 -0.911 -10.067 98.195 -99.200 -91.000 PHE 23 1.000 2.791 -4.562 93.930 -99.200 -91.000 TYR 45 0.840 10.024 -15.528 100.593 -99.200 -91.000 PHE 51 1.000 21.864 -14.714 90.104 -99.200 -91.000 HIS 68 0.900 22.627 -6.533 67.728 -99.200 -91.000 PHE 71 1.000 23.343 -16.325 74.907 -99.200 -91.000 TRP 73 1.040 18.367 -27.094 71.612 -99.200 -91.000 TRP6 73 1.020 16.875 -28.244 70.179 -99.200 -91.000 TRP 83 1.040 13.401 -22.863 78.390 -99.200 -91.000 TRP6 83 1.020 13.770 -24.084 80.383 -99.200 -91.000 PHE 101 1.000 20.292 -15.768 81.409 -99.200 -91.000 TYR 116 0.840 31.017 -8.355 88.044 -99.200 -91.000 PHE 120 1.000 25.726 -6.296 89.963 -99.200 -91.000 TYR 122 0.840 20.333 -10.583 93.356 -99.200 -91.000 PHE 134 1.000 24.495 -18.551 92.064 -99.200 -91.000 TRP 135 1.040 19.630 -19.103 89.027 -99.200 -91.000 TRP6 135 1.020 21.739 -19.759 88.174 -99.200 -91.000 PHE 150 1.000 19.915 -6.082 90.666 -99.200 -91.000 TYR 155 0.840 14.728 4.759 85.883 -99.200 -91.000 TYR 181 0.840 1.005 1.336 80.660 -99.200 -91.000 HIS 184 0.900 12.244 -1.426 80.902 -99.200 -91.000 PHE 189 1.000 6.627 -22.428 89.769 -99.200 -91.000 TRP 202 1.040 10.990 -14.165 93.674 -99.200 -91.000 TRP6 202 1.020 11.368 -12.309 95.095 -99.200 -91.000 TRP 203 1.040 5.722 -9.639 86.731 -99.200 -91.000 TRP6 203 1.020 4.090 -7.935 86.526 -99.200 -91.000 TRP 206 1.040 12.095 0.106 85.217 -99.200 -91.000 TRP6 206 1.020 13.691 -1.615 84.911 -99.200 -91.000 TYR 214 0.840 4.445 5.154 89.861 -99.200 -91.000 PHE 215 1.000 12.672 2.138 90.384 -99.200 -91.000 PHE 216 1.000 6.530 -4.605 88.852 -99.200 -91.000 PHE 218 1.000 2.757 -11.317 93.874 -99.200 -91.000