============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. PHE 21 1.000 21.642 12.208 38.043 -99.200 -91.000 HIS 23 0.900 13.300 10.390 47.316 -99.200 -91.000 HIS 25 0.900 10.011 13.216 43.349 -99.200 -91.000 PHE 38 1.000 13.675 10.184 52.996 -99.200 -91.000 HIS 57 0.900 41.107 16.934 56.237 -99.200 -91.000 PHE 61 1.000 24.035 15.937 57.170 -99.200 -91.000 HIS 73 0.900 3.945 14.174 48.070 -99.200 -91.000 TYR 77 0.840 3.760 12.698 61.364 -99.200 -91.000 HIS 92 0.900 30.000 15.213 61.948 -99.200 -91.000 PHE 96 1.000 15.899 16.950 58.514 -99.200 -91.000 HIS 97 0.900 17.358 26.315 57.638 -99.200 -91.000 PHE 121 1.000 11.205 17.172 59.637 -99.200 -91.000 PHE 129 1.000 10.611 24.175 54.289 -99.200 -91.000 TYR 131 0.840 19.774 17.605 54.501 -99.200 -91.000 HIS 132 0.900 22.443 24.330 59.114 -99.200 -91.000 TRP 141 1.040 35.654 23.705 60.700 -99.200 -91.000 TRP6 141 1.020 36.035 21.854 62.136 -99.200 -91.000 HIS 142 0.900 30.842 19.937 62.382 -99.200 -91.000 HIS 160 0.900 -2.084 23.067 41.863 -99.200 -91.000 TYR 169 0.840 8.787 17.957 39.488 -99.200 -91.000 TYR 173 0.840 18.842 17.355 36.165 -99.200 -91.000 TYR 174 0.840 20.025 19.722 46.597 -99.200 -91.000 PHE 180 1.000 33.947 23.225 49.689 -99.200 -91.000 TYR 181 0.840 34.133 30.738 53.412 -99.200 -91.000 TYR 190 0.840 43.589 27.510 47.251 -99.200 -91.000 TYR 193 0.840 45.359 22.705 57.144 -99.200 -91.000 TYR 200 0.840 37.592 25.691 64.646 -99.200 -91.000 HIS 214 0.900 38.605 26.717 45.936 -99.200 -91.000 PHE 217 1.000 26.321 26.018 40.769 -99.200 -91.000 HIS 242 0.900 21.407 27.248 43.102 -99.200 -91.000 HIS 252 0.900 20.704 34.476 33.729 -99.200 -91.000 HIS 257 0.900 13.985 33.898 29.685 -99.200 -91.000 TYR 260 0.840 4.865 29.198 35.784 -99.200 -91.000 TRP 262 1.040 6.755 28.217 43.921 -99.200 -91.000 TRP6 262 1.020 6.983 26.830 42.017 -99.200 -91.000 PHE 267 1.000 7.192 24.030 46.496 -99.200 -91.000 TRP 278 1.040 16.178 31.518 40.457 -99.200 -91.000 TRP6 278 1.020 16.297 31.281 38.092 -99.200 -91.000 PHE 279 1.000 19.732 37.514 47.077 -99.200 -91.000 PHE 289 1.000 7.285 23.711 35.747 -99.200 -91.000 TYR 290 0.840 13.367 27.735 30.382 -99.200 -91.000 PHE 292 1.000 15.949 23.466 29.583 -99.200 -91.000 TYR 298 0.840 19.429 26.203 27.232 -99.200 -91.000 TYR 300 0.840 21.144 26.706 37.721 -99.200 -91.000 HIS 303 0.900 24.560 36.971 35.405 -99.200 -91.000 PHE 309 1.000 31.012 31.798 33.483 -99.200 -91.000 HIS 316 0.900 28.882 23.818 30.642 -99.200 -91.000 PHE 317 1.000 19.933 22.234 33.247 -99.200 -91.000 TRP 323 1.040 17.570 27.847 16.262 -99.200 -91.000 TRP6 323 1.020 18.720 28.399 18.256 -99.200 -91.000