============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TYR 33 0.840 21.453 -2.576 3.028 -99.200 -91.000 PHE 39 1.000 30.323 -6.289 2.132 -99.200 -91.000 HIS 62 0.900 42.601 -45.166 -4.944 -99.200 -91.000 TYR 78 0.840 41.349 -20.025 15.022 -99.200 -91.000 HIS 85 0.900 46.191 -34.360 13.564 -99.200 -91.000 TYR 102 0.840 37.201 -28.361 15.196 -99.200 -91.000 HIS 114 0.900 45.600 -31.831 -3.904 -99.200 -91.000 PHE 124 1.000 35.119 -25.713 -7.408 -99.200 -91.000 PHE 133 1.000 36.397 -17.470 -4.469 -99.200 -91.000 TRP 183 1.040 33.719 -32.166 5.951 -99.200 -91.000 TRP6 183 1.020 34.892 -32.121 3.903 -99.200 -91.000 TRP 202 1.040 14.142 -22.837 11.860 -99.200 -91.000 TRP6 202 1.020 14.160 -20.817 10.638 -99.200 -91.000 TYR 213 0.840 41.201 -1.861 7.546 -99.200 -91.000 TRP 223 1.040 18.564 -28.096 4.936 -99.200 -91.000 TRP6 223 1.020 20.858 -27.652 5.216 -99.200 -91.000 HIS 227 0.900 7.846 -22.335 6.255 -99.200 -91.000 TYR 235 0.840 30.622 -12.069 2.715 -99.200 -91.000 PHE 236 1.000 29.484 -4.518 10.514 -99.200 -91.000 HIS 259 0.900 9.087 -11.334 11.933 -99.200 -91.000 PHE 261 1.000 11.301 -16.091 4.652 -99.200 -91.000