============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TYR 8 0.840 39.896 23.671 47.159 -99.200 -91.000 TYR 9 0.840 42.018 29.676 51.700 -99.200 -91.000 PHE 10 1.000 35.833 27.669 46.134 -99.200 -91.000 TYR 13 0.840 31.245 30.518 48.393 -99.200 -91.000 PHE 19 1.000 41.898 10.833 49.294 -99.200 -91.000 PHE 29 1.000 43.142 20.664 45.219 -99.200 -91.000 HIS 34 0.900 29.961 20.763 47.875 -99.200 -91.000 TYR 53 0.840 27.960 14.440 36.386 -99.200 -91.000 PHE 54 1.000 26.469 20.058 43.751 -99.200 -91.000 TRP 61 1.040 40.529 16.812 37.576 -99.200 -91.000 TRP6 61 1.020 42.797 17.284 37.064 -99.200 -91.000 TYR 77 0.840 43.586 19.375 60.124 -99.200 -91.000 TRP 104 1.040 41.703 11.693 62.226 -99.200 -91.000 TRP6 104 1.020 42.526 11.068 60.099 -99.200 -91.000 TYR 118 0.840 24.006 17.460 48.987 -99.200 -91.000 TRP 142 1.040 35.102 11.402 53.813 -99.200 -91.000 TRP6 142 1.020 33.694 11.040 55.692 -99.200 -91.000 PHE 166 1.000 24.250 11.773 53.425 -99.200 -91.000 PHE 167 1.000 32.705 7.882 51.896 -99.200 -91.000 TYR 176 0.840 32.347 11.884 34.562 -99.200 -91.000 PHE 177 1.000 35.927 14.664 37.128 -99.200 -91.000