============================================================================= 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. PHE 6 1.000 -4.813 32.190 34.391 -99.200 -91.000 PHE 22 1.000 13.269 23.024 27.368 -99.200 -91.000 TYR 28 0.840 11.607 10.594 27.367 -99.200 -91.000 TYR 30 0.840 5.729 13.436 29.725 -99.200 -91.000 TYR 35 0.840 -0.226 15.905 28.665 -99.200 -91.000 TRP 37 1.040 -7.350 24.006 26.181 -99.200 -91.000 TRP6 37 1.020 -6.153 25.751 27.200 -99.200 -91.000 HIS 40 0.900 -5.225 25.065 32.914 -99.200 -91.000 TYR 43 0.840 -7.990 25.401 38.256 -99.200 -91.000 TYR 47 0.840 -13.664 25.413 41.004 -99.200 -91.000 PHE 56 1.000 -3.027 30.322 48.366 -99.200 -91.000 PHE 64 1.000 3.580 9.743 40.031 -99.200 -91.000 PHE 73 1.000 0.706 23.079 44.467 -99.200 -91.000 HIS 78 0.900 -7.589 15.794 48.207 -99.200 -91.000 TRP 82 1.040 -13.299 20.371 48.221 -99.200 -91.000 TRP6 82 1.020 -11.890 22.178 47.983 -99.200 -91.000 HIS 96 0.900 11.275 7.017 31.032 -99.200 -91.000 PHE 104 1.000 -9.070 13.861 35.545 -99.200 -91.000 PHE 116 1.000 -2.485 24.164 47.103 -99.200 -91.000 TRP 117 1.040 -5.767 21.019 45.068 -99.200 -91.000 TRP6 117 1.020 -6.766 23.159 44.904 -99.200 -91.000 PHE 120 1.000 -5.420 26.420 50.423 -99.200 -91.000 PHE 130 1.000 -8.387 28.077 47.281 -99.200 -91.000 PHE 131 1.000 -10.599 27.436 43.213 -99.200 -91.000 HIS 133 0.900 -12.926 37.633 48.033 -99.200 -91.000 PHE 135 1.000 -7.281 30.597 38.971 -99.200 -91.000 HIS 137 0.900 -0.608 30.346 36.399 -99.200 -91.000 HIS 139 0.900 7.603 31.541 37.216 -99.200 -91.000 PHE 144 1.000 11.324 21.221 31.619 -99.200 -91.000 HIS 147 0.900 19.445 8.070 32.057 -99.200 -91.000 PHE 191 1.000 11.953 28.398 40.936 -99.200 -91.000 HIS 214 0.900 6.403 22.448 46.944 -99.200 -91.000 TRP 226 1.040 2.895 21.933 53.853 -99.200 -91.000 TRP6 226 1.020 0.724 22.133 53.013 -99.200 -91.000