============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 7 1.000 6.447 18.360 53.574 -99.200 -91.000 PHE 34 1.000 3.389 22.226 53.135 -99.200 -91.000 PHE 62 1.000 8.367 27.209 58.455 -99.200 -91.000 PHE 66 1.000 2.963 18.046 59.367 -99.200 -91.000 TYR 69 0.840 14.685 10.867 56.452 -99.200 -91.000 TYR 91 0.840 10.543 21.354 66.030 -99.200 -91.000 TYR 115 0.840 4.492 3.175 60.872 -99.200 -91.000 PHE 130 1.000 18.557 -0.618 32.990 -99.200 -91.000 TYR 139 0.840 11.912 2.465 38.877 -99.200 -91.000 PHE 153 1.000 2.151 9.863 44.320 -99.200 -91.000 PHE 160 1.000 2.275 13.752 54.950 -99.200 -91.000 PHE 193 1.000 -9.171 3.016 40.571 -99.200 -91.000 TYR 197 0.840 -14.361 -5.978 35.047 -99.200 -91.000 PHE 221 1.000 21.424 -3.722 47.561 -99.200 -91.000 TYR 229 0.840 25.919 -6.739 37.786 -99.200 -91.000 HIS 237 0.900 14.814 0.464 35.744 -99.200 -91.000 HIS 265 0.900 -5.529 19.941 49.278 -99.200 -91.000 PHE 277 1.000 -13.948 17.646 31.879 -99.200 -91.000