============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TYR 8 0.840 24.064 31.212 52.532 -99.200 -91.000 PHE 24 1.000 39.522 37.827 49.749 -99.200 -91.000 PHE 28 1.000 33.621 40.967 53.659 -99.200 -91.000 TRP 29 1.040 32.002 34.031 61.528 -99.200 -91.000 TRP6 29 1.020 32.371 31.753 61.100 -99.200 -91.000 TYR 33 0.840 31.765 36.631 67.897 -99.200 -91.000 TYR 36 0.840 26.666 37.049 68.260 -99.200 -91.000 PHE 55 1.000 27.474 28.750 46.391 -99.200 -91.000 PHE 59 1.000 23.495 32.203 47.012 -99.200 -91.000 TYR 76 0.840 23.595 43.214 51.437 -99.200 -91.000 PHE 87 1.000 31.727 53.090 56.103 -99.200 -91.000 HIS 88 0.900 23.551 52.275 56.463 -99.200 -91.000 PHE 93 1.000 22.405 50.327 65.153 -99.200 -91.000 PHE 98 1.000 33.982 48.536 58.116 -99.200 -91.000 TYR 112 0.840 47.767 35.715 51.442 -99.200 -91.000 PHE 115 1.000 52.047 32.180 53.109 -99.200 -91.000 PHE 118 1.000 59.558 30.319 51.522 -99.200 -91.000 PHE 125 1.000 65.011 23.485 46.252 -99.200 -91.000 HIS 140 0.900 60.816 34.076 45.594 -99.200 -91.000 TYR 141 0.840 62.857 32.236 55.800 -99.200 -91.000 TYR 162 0.840 42.241 44.157 68.834 -99.200 -91.000 TYR 171 0.840 42.964 49.044 57.270 -99.200 -91.000 HIS 180 0.900 45.937 30.344 62.925 -99.200 -91.000 HIS 181 0.900 44.582 31.313 55.872 -99.200 -91.000 PHE 192 1.000 57.774 30.494 56.976 -99.200 -91.000 HIS 196 0.900 60.355 31.171 68.091 -99.200 -91.000 PHE 198 1.000 60.546 39.513 62.760 -99.200 -91.000 HIS 200 0.900 56.623 45.795 70.120 -99.200 -91.000 TRP 202 1.040 56.180 35.417 67.479 -99.200 -91.000 TRP6 202 1.020 54.852 33.504 67.132 -99.200 -91.000 TYR 204 0.840 47.838 42.178 64.942 -99.200 -91.000 TYR 209 0.840 46.857 32.406 67.765 -99.200 -91.000 PHE 214 1.000 42.262 34.297 64.511 -99.200 -91.000 HIS 226 0.900 41.860 19.290 51.208 -99.200 -91.000 HIS 227 0.900 41.853 28.108 50.788 -99.200 -91.000 TYR 228 0.840 46.896 28.827 51.766 -99.200 -91.000 PHE 235 1.000 47.013 11.708 47.229 -99.200 -91.000 HIS 249 0.900 43.377 29.419 67.649 -99.200 -91.000