============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. PHE 9 1.000 17.724 47.398 124.813 -99.200 -91.000 TYR 10 0.840 23.930 52.915 122.315 -99.200 -91.000 TYR 14 0.840 22.758 63.076 127.231 -99.200 -91.000 TYR 15 0.840 15.753 59.246 131.666 -99.200 -91.000 PHE 32 1.000 2.297 63.684 126.636 -99.200 -91.000 HIS 92 0.900 31.960 44.357 105.952 -99.200 -91.000 PHE 100 1.000 36.516 37.542 99.716 -99.200 -91.000 PHE 104 1.000 20.752 43.374 101.382 -99.200 -91.000 TYR 111 0.840 7.233 44.072 106.279 -99.200 -91.000 TYR 123 0.840 23.045 34.134 102.519 -99.200 -91.000 TYR 142 0.840 6.178 60.941 114.829 -99.200 -91.000 HIS 163 0.900 22.134 26.744 109.066 -99.200 -91.000 TYR 177 0.840 -4.135 43.045 104.001 -99.200 -91.000 TYR 182 0.840 -0.164 57.942 100.065 -99.200 -91.000 PHE 184 1.000 5.395 57.609 109.719 -99.200 -91.000 TRP 185 1.040 3.001 60.778 102.677 -99.200 -91.000 TRP6 185 1.020 1.022 61.322 103.860 -99.200 -91.000 HIS 190 0.900 7.473 67.029 103.231 -99.200 -91.000 TYR 192 0.840 10.728 67.633 111.949 -99.200 -91.000 TYR 204 0.840 -0.475 48.436 115.033 -99.200 -91.000 PHE 208 1.000 -3.054 41.568 115.489 -99.200 -91.000 TRP 212 1.040 -5.612 36.167 114.311 -99.200 -91.000 TRP6 212 1.020 -4.179 34.447 115.081 -99.200 -91.000 TYR 215 0.840 0.064 32.125 111.759 -99.200 -91.000 PHE 226 1.000 0.406 31.936 117.949 -99.200 -91.000 PHE 231 1.000 0.446 42.205 119.703 -99.200 -91.000 HIS 232 0.900 5.766 49.276 114.918 -99.200 -91.000 PHE 235 1.000 0.270 55.164 120.425 -99.200 -91.000 TYR 262 0.840 0.795 45.036 124.655 -99.200 -91.000 TYR 268 0.840 13.926 45.399 128.719 -99.200 -91.000 TYR 271 0.840 10.620 52.129 132.028 -99.200 -91.000 TYR 276 0.840 10.074 55.925 112.907 -99.200 -91.000 TYR 281 0.840 12.195 42.096 114.892 -99.200 -91.000 PHE 302 1.000 0.579 43.192 112.620 -99.200 -91.000 TYR 304 0.840 1.030 49.100 110.223 -99.200 -91.000 PHE 312 1.000 0.428 36.188 113.996 -99.200 -91.000 TYR 313 0.840 7.903 36.849 112.461 -99.200 -91.000 TYR 321 0.840 14.121 31.506 126.895 -99.200 -91.000 HIS 324 0.900 22.963 30.557 124.797 -99.200 -91.000 HIS 330 0.900 19.543 43.475 126.829 -99.200 -91.000 TYR 345 0.840 12.571 66.857 123.462 -99.200 -91.000 PHE 348 1.000 21.500 66.987 124.289 -99.200 -91.000 PHE 349 1.000 13.260 67.248 117.420 -99.200 -91.000 PHE 352 1.000 19.772 63.391 115.291 -99.200 -91.000 PHE 357 1.000 29.538 66.459 114.413 -99.200 -91.000 HIS 365 0.900 37.251 62.497 128.810 -99.200 -91.000 HIS 369 0.900 35.455 51.800 128.019 -99.200 -91.000 PHE 371 1.000 32.094 50.778 117.002 -99.200 -91.000 TYR 372 0.840 32.526 59.665 120.120 -99.200 -91.000 TYR 383 0.840 30.196 56.995 111.838 -99.200 -91.000 HIS 384 0.900 35.632 56.934 120.353 -99.200 -91.000