============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. PHE 4 1.000 -0.411 20.209 110.218 -99.200 -91.000 TRP 8 1.040 -4.363 21.872 112.080 -99.200 -91.000 TRP6 8 1.020 -4.184 20.499 114.002 -99.200 -91.000 PHE 10 1.000 -11.433 17.564 105.917 -99.200 -91.000 HIS 12 0.900 -8.096 25.214 114.131 -99.200 -91.000 TRP 29 1.040 -13.440 10.363 121.244 -99.200 -91.000 TRP6 29 1.020 -12.307 11.957 122.580 -99.200 -91.000 PHE 30 1.000 -14.346 6.368 119.215 -99.200 -91.000 PHE 33 1.000 -8.815 8.579 120.182 -99.200 -91.000 HIS 37 0.900 -2.142 5.109 112.563 -99.200 -91.000 TRP 42 1.040 -0.149 7.036 105.478 -99.200 -91.000 TRP6 42 1.020 1.126 5.321 104.457 -99.200 -91.000 HIS 51 0.900 4.405 19.758 120.639 -99.200 -91.000 PHE 61 1.000 -10.120 27.504 126.048 -99.200 -91.000 HIS 72 0.900 -14.998 39.542 135.021 -99.200 -91.000 TYR 82 0.840 -8.651 30.403 138.192 -99.200 -91.000 TRP 86 1.040 -9.872 24.948 137.999 -99.200 -91.000 TRP6 86 1.020 -7.735 24.358 137.168 -99.200 -91.000 PHE 89 1.000 -7.222 24.496 130.547 -99.200 -91.000 PHE 90 1.000 -8.631 19.745 137.359 -99.200 -91.000 PHE 100 1.000 -4.456 15.958 119.350 -99.200 -91.000 TRP 124 1.040 -5.556 27.677 134.210 -99.200 -91.000 TRP6 124 1.020 -7.538 28.304 133.079 -99.200 -91.000 PHE 129 1.000 -3.224 29.094 140.798 -99.200 -91.000 HIS 145 0.900 -14.049 35.820 158.952 -99.200 -91.000 PHE 153 1.000 -18.408 29.872 149.838 -99.200 -91.000 TYR 165 0.840 -2.808 27.997 145.636 -99.200 -91.000 TYR 179 0.840 -3.740 21.304 149.602 -99.200 -91.000 PHE 183 1.000 -7.261 26.166 149.439 -99.200 -91.000 TYR 187 0.840 -9.917 25.499 155.145 -99.200 -91.000 PHE 194 1.000 -15.031 32.002 162.935 -99.200 -91.000 TYR 195 0.840 -13.800 27.736 165.126 -99.200 -91.000 TYR 202 0.840 -21.109 29.595 172.519 -99.200 -91.000 TYR 211 0.840 -15.634 26.388 174.511 -99.200 -91.000 TYR 214 0.840 -18.315 27.724 169.946 -99.200 -91.000 TYR 229 0.840 -15.435 24.907 151.229 -99.200 -91.000 PHE 254 1.000 -10.767 28.342 175.456 -99.200 -91.000 HIS 275 0.900 -21.487 9.926 175.332 -99.200 -91.000 PHE 278 1.000 -14.865 8.441 177.187 -99.200 -91.000 HIS 298 0.900 -18.865 11.358 193.714 -99.200 -91.000 TYR 321 0.840 -20.183 -1.141 204.867 -99.200 -91.000 PHE 329 1.000 -18.596 -1.939 195.657 -99.200 -91.000 PHE 332 1.000 -20.311 6.277 192.742 -99.200 -91.000 PHE 340 1.000 -17.407 8.860 182.687 -99.200 -91.000 PHE 346 1.000 -13.780 7.491 181.876 -99.200 -91.000 TYR 354 0.840 -17.058 -0.270 191.985 -99.200 -91.000 PHE 364 1.000 -14.325 3.984 209.693 -99.200 -91.000