============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TRP 9 1.040 41.530 15.373 7.262 -99.200 -91.000 TRP6 9 1.020 42.221 13.410 8.361 -99.200 -91.000 TYR 10 0.840 45.338 17.113 -0.169 -99.200 -91.000 PHE 17 1.000 37.009 15.858 5.118 -99.200 -91.000 TYR 31 0.840 35.534 15.907 -0.888 -99.200 -91.000 TYR 42 0.840 31.648 21.392 -5.853 -99.200 -91.000 TYR 48 0.840 33.190 15.933 16.465 -99.200 -91.000 TRP 63 1.040 32.295 14.743 4.314 -99.200 -91.000 TRP6 63 1.020 33.833 13.188 5.184 -99.200 -91.000 TRP 67 1.040 28.998 16.188 -5.557 -99.200 -91.000 TRP6 67 1.020 31.141 16.730 -4.794 -99.200 -91.000 TYR 71 0.840 33.162 29.567 -9.675 -99.200 -91.000 HIS 75 0.900 21.243 19.790 -11.789 -99.200 -91.000 TRP 80 1.040 33.009 10.892 1.209 -99.200 -91.000 TRP6 80 1.020 32.221 12.854 0.227 -99.200 -91.000 TYR 84 0.840 40.705 11.238 13.892 -99.200 -91.000 TRP 96 1.040 32.489 7.172 -2.223 -99.200 -91.000 TRP6 96 1.020 31.296 6.922 -4.228 -99.200 -91.000 TRP 108 1.040 16.465 1.585 -13.006 -99.200 -91.000 TRP6 108 1.020 18.485 0.527 -13.531 -99.200 -91.000 HIS 115 0.900 36.369 1.061 -1.504 -99.200 -91.000 PHE 118 1.000 38.434 11.554 2.383 -99.200 -91.000