============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 23 0.840 114.009 21.413 111.394 -99.200 -91.000 TYR 26 0.840 119.253 12.795 105.519 -99.200 -91.000 PHE 32 1.000 119.121 10.591 101.007 -99.200 -91.000 HIS 51 0.900 102.314 20.488 111.119 -99.200 -91.000 TRP 55 1.040 97.486 27.242 104.754 -99.200 -91.000 TRP6 55 1.020 96.546 26.382 102.779 -99.200 -91.000 PHE 62 1.000 89.194 24.565 103.367 -99.200 -91.000 HIS 68 0.900 81.070 16.215 99.205 -99.200 -91.000 HIS 72 0.900 85.955 17.845 94.809 -99.200 -91.000 TRP 78 1.040 97.061 15.252 97.871 -99.200 -91.000 TRP6 78 1.020 99.250 14.373 97.972 -99.200 -91.000 TRP 88 1.040 107.855 30.892 100.023 -99.200 -91.000 TRP6 88 1.020 108.178 32.959 98.927 -99.200 -91.000 HIS 93 0.900 118.631 27.036 100.080 -99.200 -91.000 PHE 99 1.000 111.915 17.387 98.112 -99.200 -91.000 PHE 120 1.000 114.323 16.072 92.944 -99.200 -91.000 PHE 130 1.000 106.446 30.486 92.193 -99.200 -91.000 PHE 140 1.000 104.307 30.310 99.325 -99.200 -91.000 TYR 154 0.840 87.385 25.078 87.219 -99.200 -91.000 PHE 156 1.000 83.000 21.751 94.883 -99.200 -91.000 HIS 169 0.900 81.830 31.507 100.872 -99.200 -91.000 HIS 171 0.900 84.298 30.273 90.734 -99.200 -91.000 HIS 183 0.900 96.337 46.685 99.054 -99.200 -91.000 HIS 196 0.900 95.177 45.409 84.610 -99.200 -91.000 HIS 208 0.900 105.441 23.597 84.519 -99.200 -91.000 HIS 211 0.900 102.245 19.062 82.749 -99.200 -91.000 HIS 219 0.900 107.744 8.977 91.062 -99.200 -91.000 TYR 221 0.840 97.890 7.440 93.688 -99.200 -91.000 TYR 232 0.840 110.862 -16.367 99.889 -99.200 -91.000