============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 8.352 6.387 18.295 -99.200 -91.000 TRP6 14 1.020 7.051 8.240 18.984 -99.200 -91.000 PHE 19 1.000 12.753 -5.270 3.112 -99.200 -91.000 TRP 37 1.040 22.781 10.475 14.064 -99.200 -91.000 TRP6 37 1.020 24.557 8.910 14.010 -99.200 -91.000 HIS 43 0.900 19.264 -8.500 19.099 -99.200 -91.000 TYR 47 0.840 23.634 -13.373 18.961 -99.200 -91.000 TRP 49 1.040 21.208 -16.794 16.728 -99.200 -91.000 TRP6 49 1.020 19.454 -15.315 17.299 -99.200 -91.000 PHE 53 1.000 22.325 -8.824 8.359 -99.200 -91.000 HIS 65 0.900 -1.023 0.596 9.863 -99.200 -91.000 TYR 70 0.840 7.333 1.663 -2.000 -99.200 -91.000 TYR 84 0.840 29.055 5.431 13.513 -99.200 -91.000 HIS 86 0.900 28.697 0.486 24.588 -99.200 -91.000 TYR 89 0.840 26.577 -6.869 20.853 -99.200 -91.000 TRP 91 1.040 29.900 -10.783 19.991 -99.200 -91.000 TRP6 91 1.020 30.871 -12.921 19.704 -99.200 -91.000 PHE 110 1.000 11.951 14.526 11.422 -99.200 -91.000 TYR 113 0.840 1.093 9.275 7.338 -99.200 -91.000 HIS 115 0.900 7.773 14.555 15.141 -99.200 -91.000 TYR 132 0.840 5.767 4.469 37.575 -99.200 -91.000 TRP 139 1.040 5.388 -3.906 10.848 -99.200 -91.000 TRP6 139 1.020 6.936 -2.121 10.980 -99.200 -91.000 PHE 177 1.000 13.603 -1.630 30.511 -99.200 -91.000 TYR 181 0.840 0.238 -7.182 31.854 -99.200 -91.000 PHE 200 1.000 9.216 -0.708 28.001 -99.200 -91.000 PHE 206 1.000 6.962 13.595 36.073 -99.200 -91.000 TRP 210 1.040 4.197 9.099 23.117 -99.200 -91.000 TRP6 210 1.020 3.415 7.056 24.022 -99.200 -91.000 TYR 211 0.840 11.197 11.889 27.314 -99.200 -91.000 TRP 218 1.040 18.385 -10.856 27.063 -99.200 -91.000 TRP6 218 1.020 17.794 -12.565 28.594 -99.200 -91.000 TYR 228 0.840 8.441 -11.748 34.161 -99.200 -91.000 PHE 230 1.000 15.244 -10.433 31.232 -99.200 -91.000 TYR 231 0.840 11.588 -4.866 26.622 -99.200 -91.000 HIS 233 0.900 18.496 1.816 32.219 -99.200 -91.000 PHE 235 1.000 20.276 8.292 32.096 -99.200 -91.000 TRP 240 1.040 28.409 3.998 22.046 -99.200 -91.000 TRP6 240 1.020 26.506 3.349 20.802 -99.200 -91.000 PHE 248 1.000 32.967 8.575 14.411 -99.200 -91.000