============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 56 rings ring int. center anis. iso. HIS 10 0.900 16.002 -13.863 33.950 -99.200 -91.000 TYR 31 0.840 30.826 -14.822 38.171 -99.200 -91.000 TYR 36 0.840 27.468 -18.304 33.334 -99.200 -91.000 TYR 37 0.840 25.715 -17.083 25.448 -99.200 -91.000 PHE 38 1.000 20.966 -14.650 31.740 -99.200 -91.000 TRP 40 1.040 14.231 -11.119 29.070 -99.200 -91.000 TRP6 40 1.020 16.568 -10.882 29.190 -99.200 -91.000 TYR 42 0.840 7.429 -12.270 20.166 -99.200 -91.000 PHE 57 1.000 19.439 -8.795 18.960 -99.200 -91.000 PHE 66 1.000 33.465 -6.721 16.043 -99.200 -91.000 TYR 89 0.840 48.954 4.942 5.288 -99.200 -91.000 TRP 90 1.040 42.123 9.336 -0.598 -99.200 -91.000 TRP6 90 1.020 40.077 9.845 0.459 -99.200 -91.000 TRP 98 1.040 42.046 16.818 4.502 -99.200 -91.000 TRP6 98 1.020 41.256 15.150 5.981 -99.200 -91.000 HIS 105 0.900 45.704 14.513 14.766 -99.200 -91.000 TYR 109 0.840 35.612 8.844 17.640 -99.200 -91.000 PHE 131 1.000 32.166 14.494 4.124 -99.200 -91.000 TYR 132 0.840 36.355 12.080 4.502 -99.200 -91.000 TRP 135 1.040 35.836 18.723 7.921 -99.200 -91.000 TRP6 135 1.020 38.054 18.303 8.679 -99.200 -91.000 TRP 139 1.040 37.006 23.161 17.147 -99.200 -91.000 TRP6 139 1.020 35.766 21.147 17.258 -99.200 -91.000 TYR 147 0.840 30.742 8.459 18.335 -99.200 -91.000 HIS 149 0.900 28.278 7.314 12.910 -99.200 -91.000 PHE 155 1.000 42.423 3.824 12.202 -99.200 -91.000 PHE 167 1.000 36.474 -2.019 7.566 -99.200 -91.000 PHE 176 1.000 33.860 -9.773 11.368 -99.200 -91.000 HIS 183 0.900 27.022 -18.608 13.096 -99.200 -91.000 TRP 185 1.040 26.677 -12.887 9.287 -99.200 -91.000 TRP6 185 1.020 27.907 -14.515 8.094 -99.200 -91.000 TYR 196 0.840 19.557 -7.971 9.487 -99.200 -91.000 TRP 198 1.040 12.323 -7.570 10.012 -99.200 -91.000 TRP6 198 1.020 12.832 -6.145 8.185 -99.200 -91.000 TYR 200 0.840 10.172 -4.270 15.334 -99.200 -91.000 HIS 207 0.900 16.609 -5.662 8.520 -99.200 -91.000 TYR 218 0.840 26.567 3.647 9.721 -99.200 -91.000 TRP 230 1.040 34.289 -7.442 19.920 -99.200 -91.000 TRP6 230 1.020 36.325 -7.552 18.717 -99.200 -91.000 TYR 256 0.840 45.878 5.357 21.230 -99.200 -91.000 TRP 257 1.040 43.500 11.786 21.493 -99.200 -91.000 TRP6 257 1.020 44.807 13.724 21.113 -99.200 -91.000 TYR 263 0.840 41.966 8.101 31.112 -99.200 -91.000 TRP 268 1.040 37.433 -2.034 22.648 -99.200 -91.000 TRP6 268 1.020 35.288 -2.818 23.264 -99.200 -91.000 TRP 273 1.040 36.079 -1.499 38.770 -99.200 -91.000 TRP6 273 1.020 33.749 -1.227 38.428 -99.200 -91.000 TRP 304 1.040 32.268 0.905 32.214 -99.200 -91.000 TRP6 304 1.020 30.803 -0.514 33.424 -99.200 -91.000 HIS 306 0.900 31.606 3.031 28.199 -99.200 -91.000 PHE 314 1.000 18.499 -4.123 15.005 -99.200 -91.000 TYR 317 0.840 27.090 -0.015 27.676 -99.200 -91.000 PHE 320 1.000 36.370 -5.109 27.518 -99.200 -91.000 TYR 336 0.840 17.918 0.249 25.483 -99.200 -91.000 TRP 346 1.040 28.289 0.797 38.041 -99.200 -91.000 TRP6 346 1.020 27.254 0.654 40.158 -99.200 -91.000