============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TYR 4 0.840 10.762 38.619 -7.812 -99.200 -91.000 TYR 5 0.840 10.626 29.748 -6.432 -99.200 -91.000 PHE 7 1.000 4.116 27.486 -3.868 -99.200 -91.000 PHE 19 1.000 4.767 34.428 -12.276 -99.200 -91.000 TRP 27 1.040 8.596 24.240 -14.136 -99.200 -91.000 TRP6 27 1.020 8.691 23.593 -11.852 -99.200 -91.000 HIS 35 0.900 -8.503 19.523 0.755 -99.200 -91.000 TYR 38 0.840 0.222 23.142 9.376 -99.200 -91.000 PHE 41 1.000 -1.503 23.629 2.711 -99.200 -91.000 PHE 56 1.000 13.370 28.175 -12.914 -99.200 -91.000 TYR 78 0.840 -8.738 30.630 12.088 -99.200 -91.000 PHE 111 1.000 -8.805 40.458 -10.560 -99.200 -91.000 TRP 117 1.040 3.225 44.632 -9.403 -99.200 -91.000 TRP6 117 1.020 5.262 45.796 -9.771 -99.200 -91.000 PHE 121 1.000 -4.022 47.545 -17.032 -99.200 -91.000 TYR 124 0.840 -3.159 53.822 -15.626 -99.200 -91.000 TYR 152 0.840 -4.408 39.810 5.270 -99.200 -91.000 PHE 157 1.000 -13.905 47.173 -4.023 -99.200 -91.000 HIS 159 0.900 -19.736 40.249 1.312 -99.200 -91.000 PHE 172 1.000 -36.950 55.028 -2.749 -99.200 -91.000 PHE 174 1.000 -33.497 45.800 -7.208 -99.200 -91.000 TYR 190 0.840 -29.398 43.335 -5.132 -99.200 -91.000 PHE 196 1.000 -25.997 39.284 -16.777 -99.200 -91.000 TRP 198 1.040 -33.079 37.670 -7.623 -99.200 -91.000 TRP6 198 1.020 -33.324 40.043 -7.593 -99.200 -91.000 TYR 200 0.840 -33.707 37.124 -18.679 -99.200 -91.000 HIS 202 0.900 -37.400 41.880 -9.288 -99.200 -91.000 TYR 203 0.840 -36.907 44.567 -13.811 -99.200 -91.000 TYR 204 0.840 -37.268 40.747 -18.969 -99.200 -91.000 TRP 217 1.040 -26.593 42.259 -24.922 -99.200 -91.000 TRP6 217 1.020 -24.583 42.620 -26.111 -99.200 -91.000 HIS 225 0.900 -29.259 43.988 -27.005 -99.200 -91.000 HIS 227 0.900 -30.169 40.889 -17.200 -99.200 -91.000 TYR 231 0.840 -24.651 43.299 -14.157 -99.200 -91.000 PHE 260 1.000 -22.562 40.853 -21.826 -99.200 -91.000 HIS 274 0.900 -25.023 56.976 -11.247 -99.200 -91.000 HIS 289 0.900 -1.563 39.564 -16.980 -99.200 -91.000 PHE 300 1.000 3.706 39.577 -10.559 -99.200 -91.000 HIS 302 0.900 8.545 37.715 -1.009 -99.200 -91.000