============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 2 1.000 25.098 32.050 19.382 -99.200 -91.000 TRP 9 1.040 29.225 26.342 12.084 -99.200 -91.000 TRP6 9 1.020 30.954 24.838 11.473 -99.200 -91.000 PHE 25 1.000 35.852 23.977 8.640 -99.200 -91.000 PHE 39 1.000 35.777 31.148 29.431 -99.200 -91.000 PHE 43 1.000 36.887 29.434 26.401 -99.200 -91.000 TYR 58 0.840 39.424 32.118 4.423 -99.200 -91.000 HIS 65 0.900 43.245 29.068 -6.637 -99.200 -91.000 TRP 89 1.040 47.587 22.506 16.440 -99.200 -91.000 TRP6 89 1.020 47.618 22.053 18.774 -99.200 -91.000 PHE 94 1.000 35.834 25.375 14.781 -99.200 -91.000 PHE 96 1.000 37.680 24.169 25.117 -99.200 -91.000 PHE 100 1.000 32.152 26.337 27.416 -99.200 -91.000 TYR 119 0.840 42.835 22.386 28.670 -99.200 -91.000 HIS 127 0.900 46.693 23.569 24.948 -99.200 -91.000 PHE 135 1.000 41.659 25.872 29.031 -99.200 -91.000 TRP 136 1.040 44.471 23.587 34.032 -99.200 -91.000 TRP6 136 1.020 42.252 22.805 33.588 -99.200 -91.000 PHE 148 1.000 29.366 30.968 26.827 -99.200 -91.000 TYR 149 0.840 23.293 29.478 28.458 -99.200 -91.000 HIS 153 0.900 18.935 36.953 21.563 -99.200 -91.000 PHE 166 1.000 28.108 26.176 16.982 -99.200 -91.000 HIS 171 0.900 27.227 14.785 15.144 -99.200 -91.000 PHE 180 1.000 40.805 13.949 5.303 -99.200 -91.000 PHE 181 1.000 42.962 16.414 10.342 -99.200 -91.000 PHE 182 1.000 40.806 9.463 15.298 -99.200 -91.000 TRP 191 1.040 42.183 9.814 22.670 -99.200 -91.000 TRP6 191 1.020 43.566 9.515 20.772 -99.200 -91.000 TYR 196 0.840 28.953 17.505 19.113 -99.200 -91.000 TRP 204 1.040 24.194 16.670 20.610 -99.200 -91.000 TRP6 204 1.020 23.386 18.591 21.719 -99.200 -91.000