============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 14 0.840 23.288 25.832 2.863 -99.200 -91.000 PHE 17 1.000 23.104 36.106 -8.667 -99.200 -91.000 TYR 25 0.840 22.283 36.898 -20.536 -99.200 -91.000 PHE 30 1.000 20.211 31.895 -9.697 -99.200 -91.000 TYR 33 0.840 23.349 19.983 -0.497 -99.200 -91.000 PHE 47 1.000 11.348 19.299 -11.057 -99.200 -91.000 TYR 49 0.840 15.532 23.456 -12.739 -99.200 -91.000 TYR 59 0.840 16.872 31.818 4.654 -99.200 -91.000 TRP 69 1.040 3.064 32.685 7.661 -99.200 -91.000 TRP6 69 1.020 4.979 31.683 8.693 -99.200 -91.000 HIS 79 0.900 -1.140 27.463 -4.486 -99.200 -91.000 TYR 92 0.840 3.715 23.980 16.238 -99.200 -91.000 PHE 100 1.000 9.034 23.217 5.421 -99.200 -91.000 PHE 104 1.000 17.754 20.089 1.419 -99.200 -91.000 TYR 113 0.840 32.619 35.434 21.011 -99.200 -91.000 TYR 133 0.840 22.877 37.380 23.263 -99.200 -91.000 PHE 144 1.000 14.911 27.486 19.824 -99.200 -91.000 PHE 145 1.000 17.824 31.972 20.412 -99.200 -91.000 TYR 153 0.840 17.898 27.919 24.520 -99.200 -91.000 TRP 157 1.040 12.356 37.437 21.444 -99.200 -91.000 TRP6 157 1.020 13.209 37.906 19.267 -99.200 -91.000 PHE 159 1.000 21.762 41.589 24.384 -99.200 -91.000 TYR 184 0.840 26.461 39.837 16.350 -99.200 -91.000 PHE 186 1.000 24.462 35.509 12.561 -99.200 -91.000 PHE 195 1.000 31.303 27.454 2.819 -99.200 -91.000 TYR 215 0.840 19.164 23.809 6.201 -99.200 -91.000 TYR 225 0.840 5.613 18.708 -8.910 -99.200 -91.000 HIS 243 0.900 29.480 11.531 2.483 -99.200 -91.000 TRP 249 1.040 28.142 22.265 -3.911 -99.200 -91.000 TRP6 249 1.020 28.845 24.146 -5.165 -99.200 -91.000 TRP 250 1.040 29.293 22.425 4.312 -99.200 -91.000 TRP6 250 1.020 27.399 22.433 2.934 -99.200 -91.000