============================================================================= 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. PHE 5 1.000 0.773 -3.578 20.194 -99.200 -91.000 TYR 11 0.840 13.043 -12.813 18.741 -99.200 -91.000 TRP 14 1.040 9.479 -8.218 28.048 -99.200 -91.000 TRP6 14 1.020 11.082 -9.794 27.347 -99.200 -91.000 PHE 31 1.000 2.039 -4.700 25.140 -99.200 -91.000 PHE 39 1.000 -2.215 -5.736 25.736 -99.200 -91.000 TRP 47 1.040 -1.861 8.009 20.244 -99.200 -91.000 TRP6 47 1.020 -0.576 6.333 19.225 -99.200 -91.000 PHE 51 1.000 1.717 1.469 19.250 -99.200 -91.000 TRP 52 1.040 10.103 0.806 22.098 -99.200 -91.000 TRP6 52 1.020 8.968 2.812 22.570 -99.200 -91.000 PHE 65 1.000 11.712 -5.354 31.475 -99.200 -91.000 PHE 93 1.000 0.262 3.033 13.975 -99.200 -91.000 PHE 103 1.000 -0.731 11.269 5.992 -99.200 -91.000 TYR 104 0.840 -0.602 2.905 7.429 -99.200 -91.000 PHE 112 1.000 15.978 -5.078 11.844 -99.200 -91.000 PHE 163 1.000 28.905 7.527 10.797 -99.200 -91.000 TYR 168 0.840 25.716 9.997 7.129 -99.200 -91.000 TYR 185 0.840 26.918 4.555 6.259 -99.200 -91.000 PHE 189 1.000 19.156 1.031 8.239 -99.200 -91.000 HIS 190 0.900 14.809 1.668 -1.440 -99.200 -91.000 TYR 197 0.840 8.161 6.681 6.392 -99.200 -91.000 TYR 199 0.840 16.708 9.979 3.565 -99.200 -91.000 TYR 201 0.840 13.078 15.616 4.958 -99.200 -91.000 PHE 208 1.000 4.366 2.555 3.220 -99.200 -91.000 TYR 216 0.840 -3.688 1.577 11.391 -99.200 -91.000 PHE 220 1.000 5.950 -6.406 17.859 -99.200 -91.000