============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. TRP 36 1.040 -40.967 16.587 2.335 -99.200 -91.000 TRP6 36 1.020 -42.754 15.172 2.942 -99.200 -91.000 PHE 38 1.000 -44.552 24.527 3.228 -99.200 -91.000 TYR 48 0.840 -59.203 19.591 -4.298 -99.200 -91.000 TYR 51 0.840 -58.486 19.393 -13.809 -99.200 -91.000 HIS 70 0.900 -36.770 10.508 7.128 -99.200 -91.000 HIS 73 0.900 -34.063 16.168 10.551 -99.200 -91.000 TYR 83 0.840 -50.832 11.325 4.732 -99.200 -91.000 TYR 95 0.840 -51.660 17.862 11.542 -99.200 -91.000 TYR 97 0.840 -44.893 24.474 8.197 -99.200 -91.000 HIS 111 0.900 -58.909 13.620 6.529 -99.200 -91.000 TYR 112 0.840 -60.935 19.735 1.067 -99.200 -91.000 TYR 117 0.840 -47.747 10.231 -7.629 -99.200 -91.000 TYR 121 0.840 -38.473 7.651 -17.440 -99.200 -91.000 HIS 136 0.900 -55.493 26.437 -17.986 -99.200 -91.000 PHE 151 1.000 -33.022 29.043 -5.743 -99.200 -91.000 HIS 153 0.900 -27.184 36.668 -3.555 -99.200 -91.000 TYR 154 0.840 -34.266 34.898 -8.875 -99.200 -91.000 HIS 162 0.900 -24.784 31.734 -16.719 -99.200 -91.000 TYR 166 0.840 -17.047 19.140 -5.359 -99.200 -91.000 TYR 170 0.840 -30.564 16.592 -5.371 -99.200 -91.000 HIS 171 0.900 -36.258 24.559 -2.183 -99.200 -91.000 TYR 178 0.840 -45.133 27.697 -21.615 -99.200 -91.000 TYR 186 0.840 -39.779 33.722 -18.649 -99.200 -91.000 TRP 187 1.040 -38.810 25.427 -17.296 -99.200 -91.000 TRP6 187 1.020 -40.606 24.632 -18.559 -99.200 -91.000 TRP 193 1.040 -36.988 28.806 0.616 -99.200 -91.000 TRP6 193 1.020 -34.848 28.954 -0.382 -99.200 -91.000 TRP 197 1.040 -35.855 33.135 -3.018 -99.200 -91.000 TRP6 197 1.020 -36.819 32.277 -4.963 -99.200 -91.000 TYR 202 0.840 -45.375 32.851 -7.862 -99.200 -91.000 TYR 204 0.840 -39.995 35.593 -13.301 -99.200 -91.000 PHE 205 1.000 -35.316 28.476 -11.061 -99.200 -91.000 TYR 217 0.840 -35.310 12.891 -10.970 -99.200 -91.000 TYR 219 0.840 -42.121 13.343 -8.892 -99.200 -91.000