============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 33 1.000 -21.989 -27.570 33.102 -99.200 -91.000 HIS 49 0.900 -6.246 -19.611 20.634 -99.200 -91.000 TYR 55 0.840 -5.867 -3.115 22.293 -99.200 -91.000 TYR 66 0.840 -24.539 -29.170 36.557 -99.200 -91.000 PHE 81 1.000 -32.118 -36.571 25.951 -99.200 -91.000 TRP 92 1.040 -34.762 -33.659 19.842 -99.200 -91.000 TRP6 92 1.020 -34.776 -31.304 19.639 -99.200 -91.000 HIS 111 0.900 -25.558 -28.849 40.468 -99.200 -91.000 PHE 120 1.000 -31.131 -10.632 34.384 -99.200 -91.000 PHE 136 1.000 -40.101 -17.574 40.113 -99.200 -91.000 HIS 138 0.900 -38.019 -27.434 40.057 -99.200 -91.000 TYR 160 0.840 -33.234 -8.219 7.496 -99.200 -91.000 TYR 161 0.840 -38.428 -11.912 7.578 -99.200 -91.000 HIS 181 0.900 -39.377 -18.258 20.609 -99.200 -91.000 TYR 191 0.840 -49.478 -1.775 20.922 -99.200 -91.000 PHE 201 1.000 -43.776 4.354 6.557 -99.200 -91.000 PHE 216 1.000 -48.358 -8.887 11.179 -99.200 -91.000 TYR 234 0.840 -25.928 -21.709 14.266 -99.200 -91.000 TYR 248 0.840 -27.947 -8.087 35.787 -99.200 -91.000 TYR 266 0.840 -50.381 -8.315 28.986 -99.200 -91.000 HIS 268 0.900 -53.929 -14.955 30.995 -99.200 -91.000 PHE 272 1.000 -41.574 -16.860 34.867 -99.200 -91.000 PHE 300 1.000 -50.378 -11.844 26.949 -99.200 -91.000 HIS 315 0.900 -44.620 -34.038 36.642 -99.200 -91.000 HIS 316 0.900 -49.181 -37.412 27.776 -99.200 -91.000 HIS 317 0.900 -44.513 -41.378 32.078 -99.200 -91.000