============================================================================= 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 8 1.040 18.370 -5.545 3.284 -99.200 -91.000 TRP6 8 1.020 20.511 -6.485 2.850 -99.200 -91.000 TYR 13 0.840 20.719 -9.043 6.494 -99.200 -91.000 TRP 27 1.040 8.069 3.431 21.151 -99.200 -91.000 TRP6 27 1.020 9.689 2.542 22.638 -99.200 -91.000 PHE 29 1.000 6.056 -4.584 18.418 -99.200 -91.000 PHE 40 1.000 21.036 -13.383 8.904 -99.200 -91.000 TYR 73 0.840 14.703 9.876 22.731 -99.200 -91.000 PHE 75 1.000 18.056 1.753 16.894 -99.200 -91.000 TYR 77 0.840 17.154 -0.404 27.839 -99.200 -91.000 TYR 90 0.840 11.172 -7.993 29.663 -99.200 -91.000 TYR 92 0.840 3.955 -5.988 22.633 -99.200 -91.000 TYR 101 0.840 18.989 -6.466 30.657 -99.200 -91.000 TYR 105 0.840 17.053 -16.223 30.547 -99.200 -91.000 PHE 113 1.000 21.522 7.005 18.328 -99.200 -91.000 HIS 141 0.900 -2.921 11.156 6.329 -99.200 -91.000 PHE 144 1.000 0.266 2.959 7.010 -99.200 -91.000 PHE 146 1.000 -11.135 1.400 5.859 -99.200 -91.000 TYR 147 0.840 -1.064 -1.189 1.457 -99.200 -91.000 TYR 152 0.840 -0.696 4.860 2.128 -99.200 -91.000 PHE 153 1.000 0.857 10.158 -4.034 -99.200 -91.000 HIS 164 0.900 3.139 3.095 12.933 -99.200 -91.000 TYR 171 0.840 16.195 -0.136 -3.210 -99.200 -91.000 PHE 173 1.000 11.564 -2.658 -11.280 -99.200 -91.000 TYR 183 0.840 7.662 -2.060 -4.605 -99.200 -91.000 TRP 184 1.040 11.009 4.337 0.059 -99.200 -91.000 TRP6 184 1.020 13.361 4.053 -0.056 -99.200 -91.000 TRP 190 1.040 -0.447 -1.058 12.896 -99.200 -91.000 TRP6 190 1.020 -1.478 0.476 11.413 -99.200 -91.000 TRP 194 1.040 -2.525 -2.508 7.786 -99.200 -91.000 TRP6 194 1.020 -0.442 -1.849 6.845 -99.200 -91.000 TYR 199 0.840 6.917 -7.184 5.249 -99.200 -91.000 HIS 209 0.900 3.123 9.933 -0.365 -99.200 -91.000 TYR 218 0.840 23.042 2.270 10.031 -99.200 -91.000