============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. HIS 2 0.900 29.677 -31.966 50.653 -99.200 -91.000 PHE 13 1.000 35.016 -17.026 42.585 -99.200 -91.000 PHE 24 1.000 38.523 -30.183 50.355 -99.200 -91.000 HIS 36 0.900 21.493 -12.745 38.069 -99.200 -91.000 TYR 39 0.840 25.859 -10.464 41.214 -99.200 -91.000 TRP 64 1.040 38.206 -21.744 37.929 -99.200 -91.000 TRP6 64 1.020 37.155 -21.602 40.045 -99.200 -91.000 TYR 65 0.840 32.048 -20.934 38.986 -99.200 -91.000 TYR 128 0.840 22.047 -7.905 36.525 -99.200 -91.000 TRP 138 1.040 15.630 5.255 38.511 -99.200 -91.000 TRP6 138 1.020 17.967 5.298 38.929 -99.200 -91.000 TRP 188 1.040 37.096 17.913 47.111 -99.200 -91.000 TRP6 188 1.020 37.593 15.705 46.433 -99.200 -91.000 PHE 209 1.000 9.572 6.554 52.301 -99.200 -91.000 PHE 226 1.000 12.995 17.359 50.728 -99.200 -91.000 HIS 259 0.900 42.385 -17.249 65.745 -99.200 -91.000 PHE 269 1.000 35.769 -23.336 59.895 -99.200 -91.000 TRP 277 1.040 37.629 -12.141 60.653 -99.200 -91.000 TRP6 277 1.020 37.314 -14.155 59.419 -99.200 -91.000 TYR 290 0.840 35.712 -8.012 45.324 -99.200 -91.000 TRP 318 1.040 36.456 0.216 44.921 -99.200 -91.000 TRP6 318 1.020 36.527 -2.099 45.409 -99.200 -91.000 HIS 324 0.900 37.414 13.933 41.943 -99.200 -91.000 PHE 338 1.000 41.683 12.583 61.937 -99.200 -91.000 PHE 352 1.000 49.312 9.283 54.865 -99.200 -91.000 PHE 371 1.000 44.301 2.214 49.520 -99.200 -91.000 PHE 399 1.000 56.998 9.465 53.384 -99.200 -91.000