============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 2 1.000 130.126 39.918 -70.753 -99.200 -91.000 PHE 5 1.000 138.085 38.303 -76.502 -99.200 -91.000 TYR 28 0.840 129.978 64.577 -70.946 -99.200 -91.000 TYR 44 0.840 138.836 80.406 -64.416 -99.200 -91.000 TYR 48 0.840 138.463 88.721 -62.991 -99.200 -91.000 TYR 50 0.840 133.825 84.579 -53.222 -99.200 -91.000 HIS 51 0.900 142.641 87.350 -57.185 -99.200 -91.000 PHE 54 1.000 143.826 90.270 -52.045 -99.200 -91.000 TYR 56 0.840 136.211 98.088 -50.542 -99.200 -91.000 PHE 57 1.000 136.034 93.985 -47.600 -99.200 -91.000 PHE 70 1.000 135.472 84.154 -46.496 -99.200 -91.000 PHE 71 1.000 135.156 88.466 -49.151 -99.200 -91.000 HIS 81 0.900 134.879 75.108 -55.168 -99.200 -91.000 TYR 88 0.840 132.562 64.666 -64.802 -99.200 -91.000 PHE 108 1.000 133.149 94.351 -53.923 -99.200 -91.000 HIS 110 0.900 124.812 99.222 -48.069 -99.200 -91.000 HIS 118 0.900 127.477 95.859 -50.241 -99.200 -91.000 HIS 138 0.900 121.451 66.172 -59.606 -99.200 -91.000 PHE 152 1.000 132.446 66.106 -61.179 -99.200 -91.000 TYR 157 0.840 131.897 70.925 -58.261 -99.200 -91.000 TYR 171 0.840 132.642 83.478 -41.992 -99.200 -91.000 HIS 182 0.900 136.053 97.273 -29.746 -99.200 -91.000 TRP 185 1.040 140.268 96.078 -35.730 -99.200 -91.000 TRP6 185 1.020 140.905 95.232 -33.626 -99.200 -91.000 HIS 186 0.900 136.640 90.970 -30.612 -99.200 -91.000 PHE 187 1.000 133.086 88.194 -38.691 -99.200 -91.000 HIS 193 0.900 144.981 86.136 -35.675 -99.200 -91.000