============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 6 0.840 5.351 52.576 39.601 -99.200 -91.000 HIS 17 0.900 4.814 60.205 26.009 -99.200 -91.000 TYR 21 0.840 11.330 64.053 19.080 -99.200 -91.000 HIS 39 0.900 -8.327 48.208 26.550 -99.200 -91.000 PHE 50 1.000 4.262 32.789 13.712 -99.200 -91.000 PHE 58 1.000 -4.899 40.816 14.903 -99.200 -91.000 HIS 64 0.900 2.833 38.066 30.156 -99.200 -91.000 HIS 67 0.900 -0.296 44.688 32.869 -99.200 -91.000 TYR 91 0.840 3.111 45.354 12.919 -99.200 -91.000 TYR 104 0.840 12.831 27.510 24.575 -99.200 -91.000 TRP 106 1.040 4.145 26.330 19.238 -99.200 -91.000 TRP6 106 1.020 2.675 26.246 21.075 -99.200 -91.000 TRP 113 1.040 4.967 37.452 11.028 -99.200 -91.000 TRP6 113 1.020 4.771 39.575 12.042 -99.200 -91.000 TYR 167 0.840 19.596 30.410 28.317 -99.200 -91.000 TYR 171 0.840 20.706 32.836 23.911 -99.200 -91.000 PHE 189 1.000 9.133 40.791 41.011 -99.200 -91.000 TYR 214 0.840 -8.065 50.802 31.170 -99.200 -91.000 HIS 226 0.900 7.518 50.281 32.371 -99.200 -91.000 HIS 238 0.900 18.450 61.042 18.071 -99.200 -91.000 TRP 241 1.040 20.979 57.875 16.786 -99.200 -91.000 TRP6 241 1.020 20.749 57.981 19.120 -99.200 -91.000 PHE 261 1.000 25.284 38.141 40.295 -99.200 -91.000 TYR 262 0.840 22.497 41.029 43.701 -99.200 -91.000 TYR 263 0.840 19.828 47.600 42.284 -99.200 -91.000