============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TRP 22 1.040 19.283 58.699 41.871 -99.200 -91.000 TRP6 22 1.020 19.691 57.900 43.994 -99.200 -91.000 TRP 30 1.040 9.850 65.839 46.987 -99.200 -91.000 TRP6 30 1.020 7.601 65.898 47.807 -99.200 -91.000 PHE 31 1.000 16.522 70.316 45.865 -99.200 -91.000 HIS 45 0.900 33.402 68.129 50.185 -99.200 -91.000 TRP 47 1.040 29.579 75.462 45.487 -99.200 -91.000 TRP6 47 1.020 27.944 76.791 44.327 -99.200 -91.000 TRP 74 1.040 31.176 81.092 49.695 -99.200 -91.000 TRP6 74 1.020 31.732 78.869 49.094 -99.200 -91.000 TYR 100 0.840 20.746 65.739 54.354 -99.200 -91.000 PHE 103 1.000 21.915 73.323 59.780 -99.200 -91.000 TYR 111 0.840 9.532 69.404 53.051 -99.200 -91.000 HIS 114 0.900 12.075 56.738 52.546 -99.200 -91.000 HIS 124 0.900 25.437 54.757 54.628 -99.200 -91.000 PHE 125 1.000 18.148 61.988 56.475 -99.200 -91.000 TYR 128 0.840 13.923 58.775 59.853 -99.200 -91.000 TRP 133 1.040 11.157 62.020 62.957 -99.200 -91.000 TRP6 133 1.020 11.399 64.345 62.374 -99.200 -91.000 PHE 137 1.000 2.223 64.001 49.602 -99.200 -91.000 PHE 140 1.000 5.469 52.669 44.622 -99.200 -91.000 HIS 141 0.900 4.491 59.254 41.672 -99.200 -91.000 HIS 149 0.900 17.083 53.226 39.992 -99.200 -91.000 TYR 151 0.840 9.448 58.678 41.726 -99.200 -91.000 PHE 153 1.000 8.119 62.502 45.087 -99.200 -91.000