============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. HIS 3 0.900 -40.844 -60.078 -10.781 -99.200 -91.000 HIS 12 0.900 -56.835 -49.336 1.784 -99.200 -91.000 PHE 13 1.000 -58.415 -50.983 -5.437 -99.200 -91.000 HIS 22 0.900 -68.941 -32.620 -4.713 -99.200 -91.000 PHE 24 1.000 -63.767 -37.545 -6.212 -99.200 -91.000 PHE 35 1.000 -48.886 -64.157 -11.404 -99.200 -91.000 PHE 40 1.000 -64.179 -60.706 -9.340 -99.200 -91.000 PHE 53 1.000 -67.507 -36.684 -9.965 -99.200 -91.000 PHE 62 1.000 -60.793 -46.305 -8.123 -99.200 -91.000 PHE 66 1.000 -55.009 -57.328 -9.921 -99.200 -91.000 TYR 69 0.840 -48.186 -57.766 -20.220 -99.200 -91.000 TYR 76 0.840 -42.519 -50.676 -17.547 -99.200 -91.000 PHE 77 1.000 -47.780 -52.070 -16.928 -99.200 -91.000 TYR 85 0.840 -48.276 -49.575 -12.556 -99.200 -91.000 TRP 87 1.040 -51.735 -45.663 -13.100 -99.200 -91.000 TRP6 87 1.020 -53.553 -44.253 -13.537 -99.200 -91.000 HIS 88 0.900 -47.800 -39.371 -13.094 -99.200 -91.000 PHE 91 1.000 -60.111 -39.442 -18.833 -99.200 -91.000 PHE 93 1.000 -64.459 -37.629 -20.126 -99.200 -91.000 TYR 115 0.840 -51.820 -51.772 1.620 -99.200 -91.000 HIS 116 0.900 -54.649 -47.965 -7.644 -99.200 -91.000 PHE 120 1.000 -60.923 -38.625 -12.467 -99.200 -91.000 TYR 121 0.840 -56.408 -33.712 -8.246 -99.200 -91.000 PHE 125 1.000 -66.509 -34.207 -16.645 -99.200 -91.000 TRP 139 1.040 -65.401 -46.124 -18.667 -99.200 -91.000 TRP6 139 1.020 -64.866 -44.230 -19.988 -99.200 -91.000 TYR 162 0.840 -65.911 -44.511 -28.990 -99.200 -91.000 TYR 171 0.840 -68.907 -37.622 -22.434 -99.200 -91.000 PHE 175 1.000 -59.276 -43.724 -20.489 -99.200 -91.000 TYR 179 0.840 -49.635 -47.356 -18.647 -99.200 -91.000 TRP 191 1.040 -45.936 -52.975 -32.072 -99.200 -91.000 TRP6 191 1.020 -48.202 -53.659 -32.260 -99.200 -91.000 HIS 192 0.900 -47.461 -54.769 -24.667 -99.200 -91.000 PHE 193 1.000 -53.034 -53.986 -31.113 -99.200 -91.000 HIS 196 0.900 -57.305 -52.213 -20.925 -99.200 -91.000 TRP 211 1.040 -68.251 -47.730 -8.224 -99.200 -91.000 TRP6 211 1.020 -68.322 -45.599 -7.221 -99.200 -91.000 HIS 216 0.900 -60.330 -61.490 -18.361 -99.200 -91.000