============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 5 1.000 24.799 13.895 41.672 -99.200 -91.000 HIS 22 0.900 12.306 44.747 29.096 -99.200 -91.000 PHE 24 1.000 14.268 36.427 31.262 -99.200 -91.000 TYR 36 0.840 35.295 11.201 33.350 -99.200 -91.000 PHE 43 1.000 21.066 26.219 29.690 -99.200 -91.000 TRP 54 1.040 21.092 33.436 25.051 -99.200 -91.000 TRP6 54 1.020 19.727 31.944 26.275 -99.200 -91.000 PHE 65 1.000 25.077 16.814 37.317 -99.200 -91.000 TYR 68 0.840 33.458 18.990 46.191 -99.200 -91.000 HIS 71 0.900 42.699 15.923 48.046 -99.200 -91.000 HIS 75 0.900 36.079 19.036 53.655 -99.200 -91.000 PHE 77 1.000 24.686 21.757 51.077 -99.200 -91.000 PHE 78 1.000 27.674 22.731 45.856 -99.200 -91.000 TYR 86 0.840 21.865 22.072 45.794 -99.200 -91.000 PHE 93 1.000 24.536 43.215 45.463 -99.200 -91.000 PHE 94 1.000 24.674 41.283 36.282 -99.200 -91.000 TYR 100 0.840 20.308 39.116 36.158 -99.200 -91.000 PHE 108 1.000 19.441 12.881 41.098 -99.200 -91.000 PHE 124 1.000 20.025 44.522 35.733 -99.200 -91.000 HIS 133 0.900 20.446 42.384 24.825 -99.200 -91.000 TYR 137 0.840 26.958 33.026 22.791 -99.200 -91.000 TYR 139 0.840 30.515 32.557 32.090 -99.200 -91.000 HIS 142 0.900 34.339 33.522 36.050 -99.200 -91.000 TYR 145 0.840 37.754 32.069 46.391 -99.200 -91.000 PHE 159 1.000 30.191 32.530 42.049 -99.200 -91.000 HIS 163 0.900 28.979 38.215 32.851 -99.200 -91.000 HIS 175 0.900 27.514 35.648 40.264 -99.200 -91.000 TYR 176 0.840 28.255 39.226 48.112 -99.200 -91.000 HIS 193 0.900 35.023 23.321 49.410 -99.200 -91.000 TYR 194 0.840 40.399 27.113 44.677 -99.200 -91.000 HIS 211 0.900 20.785 28.647 19.596 -99.200 -91.000 PHE 217 1.000 35.283 20.123 30.935 -99.200 -91.000 HIS 218 0.900 31.174 24.626 38.459 -99.200 -91.000