============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 8 1.000 35.361 54.514 102.308 -99.200 -91.000 TYR 16 0.840 39.066 59.335 103.630 -99.200 -91.000 TYR 19 0.840 40.207 63.967 107.977 -99.200 -91.000 HIS 42 0.900 24.413 56.353 108.494 -99.200 -91.000 TYR 46 0.840 26.354 59.234 112.250 -99.200 -91.000 HIS 50 0.900 37.850 51.350 115.425 -99.200 -91.000 PHE 53 1.000 36.399 61.383 108.517 -99.200 -91.000 TYR 59 0.840 24.774 62.078 100.603 -99.200 -91.000 PHE 74 1.000 34.791 56.076 89.716 -99.200 -91.000 TRP 84 1.040 42.236 51.724 89.281 -99.200 -91.000 TRP6 84 1.020 40.539 52.875 90.475 -99.200 -91.000 PHE 91 1.000 51.901 54.508 95.042 -99.200 -91.000 PHE 99 1.000 38.078 41.972 92.873 -99.200 -91.000 HIS 108 0.900 42.437 47.177 91.527 -99.200 -91.000 HIS 142 0.900 59.366 43.579 95.620 -99.200 -91.000 HIS 163 0.900 65.131 31.530 114.634 -99.200 -91.000 PHE 166 1.000 65.110 34.085 124.636 -99.200 -91.000 HIS 177 0.900 40.347 37.883 114.588 -99.200 -91.000 TYR 179 0.840 31.136 40.018 116.464 -99.200 -91.000 HIS 190 0.900 32.036 31.218 105.773 -99.200 -91.000 TYR 273 0.840 57.291 45.208 128.406 -99.200 -91.000 PHE 288 1.000 51.875 50.530 120.443 -99.200 -91.000 PHE 292 1.000 56.113 40.383 125.557 -99.200 -91.000 TRP 310 1.040 46.267 42.216 125.435 -99.200 -91.000 TRP6 310 1.020 44.021 41.494 125.616 -99.200 -91.000 TYR 311 0.840 45.658 40.631 116.920 -99.200 -91.000 TYR 315 0.840 43.136 53.360 114.575 -99.200 -91.000 TYR 317 0.840 46.082 44.393 107.865 -99.200 -91.000