============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TYR 5 0.840 33.259 77.042 -4.140 -99.200 -91.000 PHE 12 1.000 28.245 77.445 5.561 -99.200 -91.000 PHE 19 1.000 28.744 70.620 -2.438 -99.200 -91.000 TYR 23 0.840 31.676 65.090 -1.567 -99.200 -91.000 TYR 65 0.840 26.437 47.960 18.216 -99.200 -91.000 HIS 70 0.900 16.591 54.194 29.853 -99.200 -91.000 TYR 100 0.840 21.575 66.098 35.339 -99.200 -91.000 PHE 116 1.000 32.028 63.585 20.329 -99.200 -91.000 TYR 120 0.840 34.873 65.190 16.687 -99.200 -91.000 TYR 123 0.840 35.331 73.875 16.504 -99.200 -91.000 PHE 129 1.000 32.673 60.938 15.504 -99.200 -91.000 TYR 145 0.840 14.731 60.913 19.726 -99.200 -91.000 TYR 156 0.840 12.620 59.643 10.550 -99.200 -91.000 PHE 171 1.000 6.342 47.209 3.323 -99.200 -91.000 PHE 172 1.000 8.978 50.382 8.055 -99.200 -91.000 TYR 176 0.840 4.237 53.230 11.612 -99.200 -91.000 PHE 182 1.000 7.234 43.967 20.510 -99.200 -91.000 TYR 210 0.840 11.695 42.907 22.806 -99.200 -91.000 PHE 218 1.000 18.687 45.694 23.742 -99.200 -91.000 TYR 229 0.840 7.306 37.758 16.368 -99.200 -91.000