============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 79 rings ring int. center anis. iso. TRP 10 1.040 76.500 66.027 -15.072 -99.200 -91.000 TRP6 10 1.020 75.625 68.006 -14.084 -99.200 -91.000 PHE 15 1.000 67.059 59.952 -5.636 -99.200 -91.000 TYR 27 0.840 44.361 57.422 -2.756 -99.200 -91.000 TRP 43 1.040 82.093 57.169 -6.653 -99.200 -91.000 TRP6 43 1.020 80.460 55.924 -5.468 -99.200 -91.000 TRP 46 1.040 86.278 62.532 -14.070 -99.200 -91.000 TRP6 46 1.020 86.153 61.058 -15.926 -99.200 -91.000 TRP 64 1.040 76.018 52.567 0.087 -99.200 -91.000 TRP6 64 1.020 78.164 52.827 -0.899 -99.200 -91.000 PHE 77 1.000 72.081 56.806 -0.313 -99.200 -91.000 TYR 85 0.840 68.444 64.899 3.761 -99.200 -91.000 HIS 114 0.900 59.285 67.521 -0.852 -99.200 -91.000 TYR 129 0.840 43.096 92.345 8.557 -99.200 -91.000 TYR 140 0.840 34.707 74.334 3.473 -99.200 -91.000 PHE 141 1.000 42.557 75.621 -3.704 -99.200 -91.000 TRP 144 1.040 35.178 72.651 -8.211 -99.200 -91.000 TRP6 144 1.020 34.689 71.564 -6.143 -99.200 -91.000 TYR 147 0.840 41.049 71.195 -13.751 -99.200 -91.000 PHE 151 1.000 41.910 81.859 -5.461 -99.200 -91.000 HIS 163 0.900 40.887 76.210 11.954 -99.200 -91.000 TYR 166 0.840 42.027 69.731 -1.718 -99.200 -91.000 PHE 168 1.000 33.281 69.684 -0.493 -99.200 -91.000 PHE 188 1.000 28.814 56.419 -10.468 -99.200 -91.000 PHE 201 1.000 29.985 52.477 1.976 -99.200 -91.000 HIS 206 0.900 35.275 63.446 -7.827 -99.200 -91.000 PHE 209 1.000 46.752 67.331 -14.727 -99.200 -91.000 TRP 222 1.040 61.982 66.385 -15.881 -99.200 -91.000 TRP6 222 1.020 62.325 64.119 -15.250 -99.200 -91.000 TYR 226 0.840 55.159 64.226 -2.626 -99.200 -91.000 PHE 230 1.000 46.130 66.161 -1.821 -99.200 -91.000 HIS 240 0.900 51.492 81.388 5.721 -99.200 -91.000 TRP 252 1.040 24.041 69.548 -3.414 -99.200 -91.000 TRP6 252 1.020 22.394 69.827 -1.707 -99.200 -91.000 PHE 258 1.000 30.051 61.634 5.227 -99.200 -91.000 PHE 259 1.000 22.340 60.638 3.644 -99.200 -91.000 PHE 260 1.000 24.294 53.566 1.376 -99.200 -91.000 PHE 270 1.000 34.755 58.175 6.513 -99.200 -91.000 PHE 277 1.000 43.406 61.845 2.300 -99.200 -91.000 TRP 281 1.040 47.588 61.967 0.698 -99.200 -91.000 TRP6 281 1.020 49.256 62.172 -0.978 -99.200 -91.000 PHE 283 1.000 48.703 68.146 2.127 -99.200 -91.000 PHE 284 1.000 44.773 67.273 3.331 -99.200 -91.000 TRP 291 1.040 25.500 62.703 6.452 -99.200 -91.000 TRP6 291 1.020 25.381 61.115 8.212 -99.200 -91.000 PHE 293 1.000 22.305 69.622 4.454 -99.200 -91.000 TYR 312 0.840 27.346 64.761 12.904 -99.200 -91.000 TYR 334 0.840 47.002 64.511 13.308 -99.200 -91.000 TYR 352 0.840 24.851 69.139 15.181 -99.200 -91.000 HIS 361 0.900 37.561 75.032 15.955 -99.200 -91.000 PHE 363 1.000 34.935 74.814 10.265 -99.200 -91.000 TYR 367 0.840 27.606 78.781 3.733 -99.200 -91.000 PHE 369 1.000 20.485 81.027 6.635 -99.200 -91.000 TYR 370 0.840 14.688 82.789 2.333 -99.200 -91.000 PHE 373 1.000