============================================================================= 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. TYR 1 0.840 120.541 86.146 20.641 -99.200 -91.000 PHE 12 1.000 131.277 98.500 4.243 -99.200 -91.000 HIS 25 0.900 129.255 99.040 8.577 -99.200 -91.000 PHE 26 1.000 123.256 97.741 5.610 -99.200 -91.000 HIS 40 0.900 125.096 107.252 13.663 -99.200 -91.000 TRP 49 1.040 128.254 96.689 17.658 -99.200 -91.000 TRP6 49 1.020 126.870 95.003 16.744 -99.200 -91.000 PHE 52 1.000 120.608 102.914 18.516 -99.200 -91.000 TYR 64 0.840 110.369 93.524 16.938 -99.200 -91.000 TRP 74 1.040 128.693 110.644 13.027 -99.200 -91.000 TRP6 74 1.020 127.549 112.398 11.936 -99.200 -91.000 HIS 107 0.900 107.749 98.316 14.104 -99.200 -91.000 HIS 116 0.900 116.925 116.615 15.730 -99.200 -91.000 PHE 121 1.000 112.244 106.290 6.076 -99.200 -91.000 TRP 125 1.040 109.999 108.377 1.191 -99.200 -91.000 TRP6 125 1.020 112.178 109.065 1.815 -99.200 -91.000 PHE 145 1.000 110.173 126.036 30.019 -99.200 -91.000 TYR 160 0.840 131.988 116.028 15.638 -99.200 -91.000 PHE 175 1.000 126.215 111.658 25.178 -99.200 -91.000 PHE 177 1.000 121.592 111.703 37.880 -99.200 -91.000 PHE 187 1.000 137.761 107.753 27.000 -99.200 -91.000 HIS 200 0.900 133.371 109.649 8.786 -99.200 -91.000 PHE 204 1.000 129.343 117.682 13.721 -99.200 -91.000 PHE 215 1.000 120.526 117.718 13.438 -99.200 -91.000 PHE 218 1.000 111.879 117.818 10.049 -99.200 -91.000 TRP 233 1.040 114.743 114.629 26.264 -99.200 -91.000 TRP6 233 1.020 114.156 114.862 23.980 -99.200 -91.000 PHE 239 1.000 126.008 116.410 25.610 -99.200 -91.000 HIS 258 0.900 108.810 105.881 31.061 -99.200 -91.000 PHE 260 1.000 113.942 105.901 31.532 -99.200 -91.000 HIS 265 0.900 121.571 113.761 24.002 -99.200 -91.000 TRP 266 1.040 123.687 106.385 24.879 -99.200 -91.000 TRP6 266 1.020 125.807 105.450 25.360 -99.200 -91.000 TRP 269 1.040 125.430 102.409 27.515 -99.200 -91.000 TRP6 269 1.020 126.592 103.265 29.377 -99.200 -91.000 HIS 271 0.900 117.452 105.331 33.901 -99.200 -91.000 PHE 275 1.000 115.287 102.863 24.706 -99.200 -91.000 PHE 282 1.000 105.137 102.926 21.081 -99.200 -91.000