============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. TYR 3 0.840 11.764 29.531 4.593 -99.200 -91.000 TYR 5 0.840 7.047 32.083 6.504 -99.200 -91.000 PHE 8 1.000 0.635 32.034 9.295 -99.200 -91.000 TRP 13 1.040 -12.890 31.656 19.392 -99.200 -91.000 TRP6 13 1.020 -13.831 31.022 17.326 -99.200 -91.000 HIS 14 0.900 -5.937 34.295 19.557 -99.200 -91.000 PHE 15 1.000 -7.366 38.300 17.641 -99.200 -91.000 TYR 18 0.840 -11.382 34.533 25.811 -99.200 -91.000 TYR 22 0.840 -14.658 28.332 39.504 -99.200 -91.000 TYR 27 0.840 -10.889 35.020 33.336 -99.200 -91.000 TYR 48 0.840 -8.541 33.493 4.474 -99.200 -91.000 TYR 53 0.840 -25.627 35.808 12.023 -99.200 -91.000 PHE 55 1.000 -22.168 39.407 12.149 -99.200 -91.000 TYR 83 0.840 -21.500 28.537 21.165 -99.200 -91.000 TRP 87 1.040 -30.826 26.769 20.820 -99.200 -91.000 TRP6 87 1.020 -30.268 28.807 19.798 -99.200 -91.000 PHE 92 1.000 -27.309 20.325 14.984 -99.200 -91.000 PHE 104 1.000 -33.528 24.252 9.513 -99.200 -91.000 HIS 107 0.900 -32.056 27.591 5.931 -99.200 -91.000 TYR 120 0.840 -14.953 26.279 7.823 -99.200 -91.000 TRP 124 1.040 -17.947 22.980 19.866 -99.200 -91.000 TRP6 124 1.020 -18.473 24.352 21.711 -99.200 -91.000 TRP 130 1.040 -23.546 11.366 27.813 -99.200 -91.000 TRP6 130 1.020 -22.040 10.951 29.598 -99.200 -91.000 TYR 132 0.840 -25.860 14.247 36.769 -99.200 -91.000 PHE 134 1.000 -28.694 3.840 34.005 -99.200 -91.000 HIS 138 0.900 -25.906 6.730 26.216 -99.200 -91.000 TRP 142 1.040 -24.993 8.732 16.702 -99.200 -91.000 TRP6 142 1.020 -23.540 10.570 16.466 -99.200 -91.000 PHE 160 1.000 -24.367 23.484 6.621 -99.200 -91.000 TYR 164 0.840 -12.580 15.507 16.309 -99.200 -91.000 TRP 174 1.040 -22.050 15.773 16.031 -99.200 -91.000 TRP6 174 1.020 -22.009 14.404 14.110 -99.200 -91.000 PHE 198 1.000 -1.968 19.407 18.119 -99.200 -91.000 HIS 200 0.900 -11.855 21.056 20.341 -99.200 -91.000 TYR 203 0.840 -10.140 17.934 25.589 -99.200 -91.000 PHE 222 1.000 -16.220 19.754 4.377 -99.200 -91.000 TRP 232 1.040 -10.670 21.940 30.389 -99.200 -91.000 TRP6 232 1.020 -12.659 20.731 30.813 -99.200 -91.000 HIS 242 0.900 1.412 18.296 24.380 -99.200 -91.000 PHE 246 1.000 8.354 19.110 12.131 -99.200 -91.000 PHE 248 1.000 -3.238 18.998 12.786 -99.200 -91.000 PHE 249 1.000 0.411 22.969 11.286 -99.200 -91.000 TYR 250 0.840 5.360 13.654 7.717 -99.200 -91.000 TRP 257 1.040 -6.654 19.532 4.075 -99.200 -91.000 TRP6 257 1.020 -6.491 21.471 5.398 -99.200 -91.000 TRP 261 1.040 -0.898 26.096 7.867 -99.200 -91.000 TRP6 261 1.020 1.349 25.766 8.524 -99.200 -91.000 PHE 266 1.000 -11.849 30.399 23.941 -99.200 -91.000 PHE 268 1.000 -10.068 31.726 29.601 -99.200 -91.000 HIS 272 0.900 -7.331 38.238 24.882 -99.200 -91.000 PHE 282 1.000 5.706 25.969 17.466 -99.200 -91.000 HIS 285 0.900 11.227 26.355 14.282 -99.200 -91.000 TYR 287 0.840 5.907 26.957 4.619 -99.200 -91.000