============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 6 1.000 43.945 76.675 42.002 -99.200 -91.000 TYR 16 0.840 45.000 94.294 40.450 -99.200 -91.000 TRP 18 1.040 46.726 89.315 50.656 -99.200 -91.000 TRP6 18 1.020 47.474 87.241 51.511 -99.200 -91.000 PHE 33 1.000 46.040 82.396 48.725 -99.200 -91.000 TRP 36 1.040 56.164 79.965 38.288 -99.200 -91.000 TRP6 36 1.020 57.876 81.592 38.147 -99.200 -91.000 TYR 40 0.840 54.729 75.255 47.839 -99.200 -91.000 PHE 43 1.000 52.583 82.684 49.609 -99.200 -91.000 TYR 47 0.840 50.526 80.286 56.171 -99.200 -91.000 PHE 52 1.000 53.256 86.116 53.152 -99.200 -91.000 PHE 72 1.000 48.111 76.478 38.421 -99.200 -91.000 PHE 76 1.000 55.888 72.681 32.989 -99.200 -91.000 TYR 92 0.840 59.480 73.984 38.277 -99.200 -91.000 TYR 98 0.840 55.641 70.638 38.690 -99.200 -91.000 HIS 108 0.900 36.717 65.464 42.202 -99.200 -91.000 TYR 111 0.840 41.227 70.721 50.423 -99.200 -91.000 HIS 119 0.900 44.517 83.224 33.825 -99.200 -91.000 TYR 139 0.840 53.030 87.591 19.613 -99.200 -91.000 TYR 148 0.840 46.233 76.286 25.786 -99.200 -91.000 TYR 156 0.840 43.542 69.386 31.487 -99.200 -91.000 PHE 157 1.000 41.396 73.727 38.166 -99.200 -91.000 TYR 172 0.840 47.064 98.390 31.607 -99.200 -91.000 HIS 173 0.900 41.424 100.763 27.697 -99.200 -91.000 TYR 182 0.840 50.735 95.560 29.563 -99.200 -91.000 TYR 202 0.840 28.333 79.411 21.559 -99.200 -91.000 HIS 203 0.900 32.734 76.890 22.445 -99.200 -91.000 TYR 208 0.840 30.831 71.851 30.582 -99.200 -91.000 PHE 231 1.000 53.570 100.455 31.937 -99.200 -91.000 TYR 234 0.840 53.229 108.177 32.194 -99.200 -91.000 TYR 238 0.840 47.556 109.950 31.898 -99.200 -91.000 TYR 242 0.840 46.326 114.090 33.360 -99.200 -91.000 PHE 260 1.000 27.789 92.001 41.041 -99.200 -91.000 TYR 275 0.840 37.869 98.780 30.539 -99.200 -91.000 PHE 284 1.000 40.932 111.534 21.980 -99.200 -91.000