============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 27 1.000 -4.321 35.760 40.497 -99.200 -91.000 PHE 29 1.000 -3.914 32.453 45.565 -99.200 -91.000 TYR 32 0.840 -8.275 33.103 38.126 -99.200 -91.000 TRP 33 1.040 -8.712 24.658 39.529 -99.200 -91.000 TRP6 33 1.020 -8.842 22.992 37.855 -99.200 -91.000 TRP 36 1.040 4.072 25.299 43.841 -99.200 -91.000 TRP6 36 1.020 5.824 26.879 43.958 -99.200 -91.000 TRP 47 1.040 1.443 19.729 37.048 -99.200 -91.000 TRP6 47 1.020 0.503 17.662 37.707 -99.200 -91.000 TYR 58 0.840 -9.051 25.073 49.891 -99.200 -91.000 HIS 61 0.900 -6.047 16.189 40.972 -99.200 -91.000 TYR 62 0.840 0.334 16.376 45.782 -99.200 -91.000 PHE 70 1.000 8.653 17.437 45.686 -99.200 -91.000 TYR 82 0.840 2.167 28.948 51.949 -99.200 -91.000 TYR 95 0.840 11.282 22.626 42.342 -99.200 -91.000 TYR 96 0.840 10.174 28.782 36.144 -99.200 -91.000 TYR 108 0.840 -1.133 36.509 33.665 -99.200 -91.000 TRP 109 1.040 4.047 29.968 33.523 -99.200 -91.000 TRP6 109 1.020 5.262 27.943 33.497 -99.200 -91.000 TYR 128 0.840 39.205 37.628 42.762 -99.200 -91.000 TYR 151 0.840 28.896 31.376 41.254 -99.200 -91.000 PHE 152 1.000 27.637 23.367 44.373 -99.200 -91.000 TRP 160 1.040 27.133 45.859 35.871 -99.200 -91.000 TRP6 160 1.020 29.405 46.107 36.452 -99.200 -91.000 TYR 162 0.840 23.060 50.123 44.917 -99.200 -91.000 PHE 180 1.000 34.614 25.478 44.812 -99.200 -91.000 TYR 181 0.840 28.050 26.064 39.041 -99.200 -91.000 TRP 194 1.040 34.971 54.448 35.896 -99.200 -91.000 TRP6 194 1.020 37.105 53.584 35.367 -99.200 -91.000 HIS 205 0.900 25.998 32.005 46.029 -99.200 -91.000