============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 8 1.000 22.287 34.339 39.024 -99.200 -91.000 HIS 12 0.900 24.834 38.448 37.435 -99.200 -91.000 TYR 22 0.840 17.746 47.725 27.314 -99.200 -91.000 PHE 30 1.000 29.538 44.277 32.208 -99.200 -91.000 TYR 39 0.840 21.278 54.675 14.927 -99.200 -91.000 PHE 48 1.000 27.241 47.511 22.372 -99.200 -91.000 TYR 51 0.840 38.145 40.882 19.882 -99.200 -91.000 PHE 71 1.000 8.436 46.327 23.499 -99.200 -91.000 PHE 89 1.000 13.681 31.973 7.556 -99.200 -91.000 HIS 100 0.900 11.919 39.193 7.939 -99.200 -91.000 TRP 103 1.040 18.084 39.348 11.900 -99.200 -91.000 TRP6 103 1.020 19.779 39.624 13.523 -99.200 -91.000 HIS 107 0.900 20.699 38.056 7.946 -99.200 -91.000 TYR 121 0.840 39.621 37.817 17.194 -99.200 -91.000 TYR 124 0.840 38.347 34.017 20.057 -99.200 -91.000 HIS 131 0.900 15.400 43.196 29.114 -99.200 -91.000 HIS 142 0.900 20.126 29.479 18.277 -99.200 -91.000 PHE 149 1.000 28.730 33.277 9.982 -99.200 -91.000 PHE 162 1.000 8.562 40.664 21.485 -99.200 -91.000 TRP 169 1.040 9.971 31.493 15.168 -99.200 -91.000 TRP6 169 1.020 12.110 31.932 14.275 -99.200 -91.000 PHE 172 1.000 14.595 27.176 9.817 -99.200 -91.000 PHE 180 1.000 16.220 31.228 21.608 -99.200 -91.000 TYR 194 0.840 2.794 39.469 20.628 -99.200 -91.000 PHE 201 1.000 2.653 35.934 16.782 -99.200 -91.000 HIS 203 0.900 8.236 32.155 24.143 -99.200 -91.000 TYR 204 0.840 14.030 28.979 18.679 -99.200 -91.000 TYR 208 0.840 18.220 27.359 31.489 -99.200 -91.000 TYR 209 0.840 10.013 32.706 36.117 -99.200 -91.000 TYR 235 0.840 -0.699 39.579 27.339 -99.200 -91.000 HIS 241 0.900 10.245 43.301 29.561 -99.200 -91.000 PHE 245 1.000 18.254 34.448 34.457 -99.200 -91.000 TYR 256 0.840 33.966 51.333 30.040 -99.200 -91.000