============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 13 0.840 -5.625 4.514 14.180 -99.200 -91.000 TYR 16 0.840 -10.117 9.827 28.132 -99.200 -91.000 TYR 24 0.840 -17.131 20.473 30.898 -99.200 -91.000 PHE 29 1.000 -13.244 10.959 24.216 -99.200 -91.000 TYR 32 0.840 -6.840 9.152 10.255 -99.200 -91.000 PHE 46 1.000 -22.142 13.047 11.367 -99.200 -91.000 TYR 48 0.840 -19.070 14.583 16.227 -99.200 -91.000 TYR 58 0.840 -10.046 -2.245 17.935 -99.200 -91.000 TRP 67 1.040 -21.327 -10.572 16.134 -99.200 -91.000 TRP6 67 1.020 -19.276 -10.272 15.009 -99.200 -91.000 HIS 77 0.900 -30.591 -1.009 15.565 -99.200 -91.000 TYR 90 0.840 -17.687 -14.158 4.626 -99.200 -91.000 PHE 98 1.000 -17.065 -2.809 8.694 -99.200 -91.000 PHE 102 1.000 -11.011 5.217 8.651 -99.200 -91.000 TYR 111 0.840 16.380 -7.024 11.183 -99.200 -91.000 TYR 131 0.840 11.088 -15.661 10.688 -99.200 -91.000 PHE 142 1.000 -1.329 -13.311 6.158 -99.200 -91.000 PHE 143 1.000 3.124 -14.084 8.959 -99.200 -91.000 TYR 151 0.840 3.503 -14.623 3.541 -99.200 -91.000 TRP 155 1.040 1.779 -21.339 12.386 -99.200 -91.000 TRP6 155 1.020 1.420 -19.899 14.216 -99.200 -91.000 PHE 157 1.000 12.455 -19.258 12.637 -99.200 -91.000 TYR 182 0.840 11.356 -10.559 17.540 -99.200 -91.000 TYR 193 0.840 2.248 6.614 16.493 -99.200 -91.000 TYR 213 0.840 -7.443 0.366 10.507 -99.200 -91.000 TYR 223 0.840 -26.923 9.166 9.420 -99.200 -91.000 HIS 241 0.900 0.052 13.087 2.424 -99.200 -91.000 TRP 247 1.040 -3.848 13.019 14.371 -99.200 -91.000 TRP6 247 1.020 -3.679 13.726 16.628 -99.200 -91.000 TRP 248 1.040 0.830 6.822 11.370 -99.200 -91.000 TRP6 248 1.020 -1.500 7.046 11.772 -99.200 -91.000