============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 11 1.000 3.367 -24.262 28.507 -99.200 -91.000 HIS 34 0.900 12.285 -36.432 36.982 -99.200 -91.000 TYR 36 0.840 0.828 -36.370 39.795 -99.200 -91.000 TRP 54 1.040 3.089 -41.277 26.621 -99.200 -91.000 TRP6 54 1.020 4.089 -42.809 28.120 -99.200 -91.000 PHE 62 1.000 3.214 -39.017 35.852 -99.200 -91.000 PHE 94 1.000 19.586 -42.613 24.156 -99.200 -91.000 HIS 97 0.900 14.450 -33.798 32.364 -99.200 -91.000 TRP 99 1.040 9.714 -30.138 28.957 -99.200 -91.000 TRP6 99 1.020 9.928 -32.176 30.128 -99.200 -91.000 HIS 113 0.900 -1.321 -31.476 10.634 -99.200 -91.000 PHE 134 1.000 4.823 -25.605 17.701 -99.200 -91.000 TYR 157 0.840 24.325 -22.609 32.930 -99.200 -91.000 PHE 158 1.000 28.797 -26.415 38.753 -99.200 -91.000 PHE 160 1.000 21.139 -26.472 43.467 -99.200 -91.000 HIS 161 0.900 14.646 -31.066 37.142 -99.200 -91.000 TYR 164 0.840 16.973 -26.480 33.416 -99.200 -91.000 TYR 166 0.840 17.244 -33.632 24.627 -99.200 -91.000 PHE 167 1.000 16.566 -22.889 26.200 -99.200 -91.000 PHE 171 1.000 17.975 -21.794 21.511 -99.200 -91.000 HIS 178 0.900 23.449 -33.384 37.029 -99.200 -91.000 PHE 179 1.000 26.828 -28.116 42.318 -99.200 -91.000 HIS 193 0.900 35.124 -28.464 51.753 -99.200 -91.000 PHE 208 1.000 20.727 -20.014 35.948 -99.200 -91.000 PHE 213 1.000 15.924 -30.298 43.115 -99.200 -91.000 TYR 246 0.840 7.845 -25.447 22.834 -99.200 -91.000 PHE 249 1.000 9.039 -24.236 28.675 -99.200 -91.000 TYR 257 0.840 19.465 -21.337 30.939 -99.200 -91.000