============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. HIS 3 0.900 -70.231 -4.311 -8.097 -99.200 -91.000 HIS 12 0.900 -52.700 -15.188 1.396 -99.200 -91.000 PHE 13 1.000 -51.975 -13.832 -5.794 -99.200 -91.000 HIS 22 0.900 -41.486 -31.670 -7.283 -99.200 -91.000 PHE 24 1.000 -46.871 -27.080 -7.757 -99.200 -91.000 PHE 35 1.000 -62.332 0.193 -10.024 -99.200 -91.000 PHE 40 1.000 -47.105 -3.884 -10.994 -99.200 -91.000 PHE 53 1.000 -43.767 -27.643 -12.021 -99.200 -91.000 PHE 62 1.000 -50.065 -18.139 -9.097 -99.200 -91.000 PHE 66 1.000 -56.258 -7.215 -9.798 -99.200 -91.000 TYR 69 0.840 -64.890 -6.751 -18.809 -99.200 -91.000 TYR 76 0.840 -70.065 -13.952 -15.120 -99.200 -91.000 PHE 77 1.000 -64.643 -12.382 -15.501 -99.200 -91.000 TYR 85 0.840 -63.387 -14.995 -11.288 -99.200 -91.000 TRP 87 1.040 -60.014 -18.893 -12.358 -99.200 -91.000 TRP6 87 1.020 -58.264 -20.282 -13.135 -99.200 -91.000 HIS 88 0.900 -63.775 -25.108 -11.654 -99.200 -91.000 PHE 91 1.000 -53.518 -24.106 -17.500 -99.200 -91.000 PHE 93 1.000 -48.645 -26.651 -21.656 -99.200 -91.000 TYR 115 0.840 -57.521 -12.933 2.095 -99.200 -91.000 HIS 116 0.900 -55.984 -16.471 -7.555 -99.200 -91.000 PHE 120 1.000 -50.723 -25.789 -13.285 -99.200 -91.000 TYR 121 0.840 -54.458 -30.844 -8.651 -99.200 -91.000 PHE 125 1.000 -45.973 -30.114 -18.534 -99.200 -91.000 TRP 139 1.040 -47.570 -18.291 -20.246 -99.200 -91.000 TRP6 139 1.020 -48.378 -20.193 -21.396 -99.200 -91.000 TYR 162 0.840 -48.930 -19.959 -30.451 -99.200 -91.000 TYR 171 0.840 -44.690 -26.600 -24.799 -99.200 -91.000 PHE 175 1.000 -53.858 -20.741 -20.957 -99.200 -91.000 TYR 179 0.840 -63.032 -17.181 -17.475 -99.200 -91.000 TRP 191 1.040 -69.213 -11.533 -29.866 -99.200 -91.000 TRP6 191 1.020 -67.024 -10.872 -30.442 -99.200 -91.000 HIS 192 0.900 -66.403 -9.897 -22.910 -99.200 -91.000 PHE 193 1.000 -62.073 -10.458 -30.223 -99.200 -91.000 HIS 196 0.900 -55.897 -12.270 -20.957 -99.200 -91.000 TRP 211 1.040 -42.888 -16.870 -10.436 -99.200 -91.000 TRP6 211 1.020 -42.647 -18.979 -9.400 -99.200 -91.000 HIS 216 0.900 -52.501 -3.036 -18.880 -99.200 -91.000