============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. HIS 3 0.900 214.542 196.259 98.813 -99.200 -91.000 TYR 4 0.840 213.253 200.602 106.647 -99.200 -91.000 TRP 16 1.040 218.432 215.916 119.421 -99.200 -91.000 TRP6 16 1.020 218.681 214.106 117.920 -99.200 -91.000 PHE 34 1.000 205.289 191.074 130.656 -99.200 -91.000 PHE 40 1.000 215.882 196.863 121.209 -99.200 -91.000 PHE 51 1.000 211.301 194.860 118.736 -99.200 -91.000 PHE 52 1.000 208.795 194.844 126.981 -99.200 -91.000 HIS 63 0.900 206.667 184.838 140.978 -99.200 -91.000 PHE 74 1.000 213.242 181.862 135.744 -99.200 -91.000 PHE 93 1.000 208.513 184.777 123.134 -99.200 -91.000 TRP 98 1.040 220.850 185.019 128.939 -99.200 -91.000 TRP6 98 1.020 222.915 185.485 127.871 -99.200 -91.000 TRP 109 1.040 208.600 193.992 112.815 -99.200 -91.000 TRP6 109 1.020 209.604 195.975 113.633 -99.200 -91.000 TYR 127 0.840 212.218 188.775 107.498 -99.200 -91.000 TRP 138 1.040 233.797 184.445 118.752 -99.200 -91.000 TRP6 138 1.020 231.959 185.931 118.694 -99.200 -91.000 PHE 156 1.000 222.689 191.285 101.666 -99.200 -91.000 TYR 158 0.840 224.957 195.082 106.661 -99.200 -91.000 PHE 171 1.000 239.120 187.504 122.234 -99.200 -91.000 TYR 172 0.840 235.425 193.532 120.754 -99.200 -91.000 PHE 193 1.000 239.862 200.592 118.967 -99.200 -91.000 HIS 194 0.900 235.072 195.854 126.826 -99.200 -91.000 PHE 195 1.000 234.378 198.617 119.011 -99.200 -91.000 TYR 201 0.840 224.674 206.604 113.144 -99.200 -91.000 TRP 215 1.040 240.295 196.730 129.667 -99.200 -91.000 TRP6 215 1.020 241.568 196.177 127.757 -99.200 -91.000 TRP 222 1.040 234.601 206.049 115.825 -99.200 -91.000 TRP6 222 1.020 235.059 205.326 113.615 -99.200 -91.000 PHE 225 1.000 229.101 197.313 110.653 -99.200 -91.000 TYR 231 0.840 237.173 195.613 110.823 -99.200 -91.000 TYR 235 0.840 238.016 203.860 122.333 -99.200 -91.000 PHE 241 1.000 236.636 212.807 128.240 -99.200 -91.000 TYR 264 0.840 233.065 199.160 137.362 -99.200 -91.000 PHE 269 1.000 221.814 208.827 121.469 -99.200 -91.000 PHE 271 1.000 221.666 209.534 116.289 -99.200 -91.000 TYR 273 0.840 223.732 214.816 111.777 -99.200 -91.000 TRP 278 1.040 223.084 216.738 117.031 -99.200 -91.000 TRP6 278 1.020 222.197 218.128 118.728 -99.200 -91.000 PHE 291 1.000 220.507 210.897 127.417 -99.200 -91.000 TRP 295 1.040 225.987 221.109 116.664 -99.200 -91.000 TRP6 295 1.020 226.490 219.320 115.202 -99.200 -91.000 TRP 300 1.040 233.606 210.928 113.472 -99.200 -91.000 TRP6 300 1.020 232.209 209.535 114.774 -99.200 -91.000 TRP 319 1.040 217.094 207.818 140.298 -99.200 -91.000 TRP6 319 1.020 219.404 207.846 140.793 -99.200 -91.000 TYR 322 0.840 221.813 199.546 129.344 -99.200 -91.000 PHE 326 1.000 213.935 205.497 117.809 -99.200 -91.000 PHE 342 1.000 217.624 211.265 122.197 -99.200 -91.000 TRP 343 1.040 216.338 203.177 122.695 -99.200 -91.000 TRP6 343 1.020 217.230 202.327 124.715 -99.200 -91.000 TRP 357 1.040 210.355 197.412 142.684 -99.200 -91.000 TRP6 357 1.020 210.334 199.234 141.180 -99.200 -91.000 PHE 365 1.000 213.081 213.688 123.896 -99.200 -91.000 TRP 375 1.040 210.117 221.055 131.011 -99.200 -91.000 TRP6 375 1.020 207.959 220.111 130.757 -99.200 -91.000 TRP 377 1.040 209.387 215.778 128.430 -99.200 -91.000 TRP6 377 1.020 210.880 217.161 127.213 -99.200 -91.000 PHE 385 1.000 205.693 201.628 142.148 -99.200 -91.000