============================================================================= 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. PHE 10 1.000 -2.334 10.470 3.354 -99.200 -91.000 TYR 12 0.840 -4.386 6.993 11.532 -99.200 -91.000 TYR 20 0.840 -0.615 12.567 -3.669 -99.200 -91.000 PHE 33 1.000 8.608 3.459 4.645 -99.200 -91.000 TRP 62 1.040 -9.247 -2.872 -5.368 -99.200 -91.000 TRP6 62 1.020 -10.710 -4.086 -6.746 -99.200 -91.000 HIS 64 0.900 -6.917 1.066 -3.816 -99.200 -91.000 TRP 65 1.040 2.357 0.652 -4.374 -99.200 -91.000 TRP6 65 1.020 3.282 2.645 -3.507 -99.200 -91.000 TYR 68 0.840 8.596 -8.894 -2.407 -99.200 -91.000 PHE 84 1.000 15.421 3.287 -7.835 -99.200 -91.000 TYR 97 0.840 -1.217 4.791 -5.608 -99.200 -91.000 HIS 107 0.900 -14.554 3.316 -0.736 -99.200 -91.000 TYR 109 0.840 -8.834 4.625 -0.358 -99.200 -91.000 TYR 110 0.840 -7.412 1.619 7.898 -99.200 -91.000 PHE 111 1.000 -1.542 4.852 2.171 -99.200 -91.000 TYR 112 0.840 -2.770 -2.009 7.485 -99.200 -91.000 TYR 114 0.840 2.888 -5.331 7.559 -99.200 -91.000 HIS 138 0.900 11.356 -14.701 8.440 -99.200 -91.000 TYR 149 0.840 -10.284 11.219 -3.464 -99.200 -91.000