============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TRP 14 1.040 8.327 7.354 18.270 -99.200 -91.000 TRP6 14 1.020 7.061 9.223 18.996 -99.200 -91.000 PHE 19 1.000 13.025 -3.963 2.673 -99.200 -91.000 TRP 37 1.040 22.911 11.481 14.025 -99.200 -91.000 TRP6 37 1.020 24.688 9.925 14.017 -99.200 -91.000 HIS 43 0.900 19.296 -7.988 19.071 -99.200 -91.000 TYR 47 0.840 23.524 -12.965 18.634 -99.200 -91.000 TRP 49 1.040 21.489 -16.632 16.173 -99.200 -91.000 TRP6 49 1.020 19.538 -15.347 16.518 -99.200 -91.000 PHE 53 1.000 22.221 -8.072 7.991 -99.200 -91.000 HIS 65 0.900 -0.993 1.364 9.896 -99.200 -91.000 TYR 70 0.840 7.217 2.782 -2.184 -99.200 -91.000 TYR 84 0.840 29.177 6.409 13.885 -99.200 -91.000 HIS 86 0.900 28.773 1.204 24.445 -99.200 -91.000 TYR 89 0.840 26.475 -6.194 20.628 -99.200 -91.000 TRP 91 1.040 29.870 -9.999 19.934 -99.200 -91.000 TRP6 91 1.020 30.810 -12.142 19.601 -99.200 -91.000 PHE 110 1.000 12.095 15.737 11.529 -99.200 -91.000 TYR 113 0.840 1.031 10.289 7.378 -99.200 -91.000 HIS 115 0.900 7.770 15.485 15.237 -99.200 -91.000 TYR 132 0.840 5.868 5.387 37.582 -99.200 -91.000 TRP 139 1.040 5.727 -2.888 10.764 -99.200 -91.000 TRP6 139 1.020 7.152 -1.031 10.921 -99.200 -91.000 PHE 175 1.000 13.568 -0.495 30.430 -99.200 -91.000 TYR 179 0.840 0.484 -6.347 31.795 -99.200 -91.000 PHE 198 1.000 9.245 0.181 27.994 -99.200 -91.000 PHE 204 1.000 6.828 14.710 35.978 -99.200 -91.000 TRP 208 1.040 4.227 10.156 23.125 -99.200 -91.000 TRP6 208 1.020 3.441 8.137 24.076 -99.200 -91.000 TYR 209 0.840 11.368 12.777 27.393 -99.200 -91.000 TRP 216 1.040 18.402 -9.662 26.895 -99.200 -91.000 TRP6 216 1.020 17.882 -11.276 28.539 -99.200 -91.000 TYR 226 0.840 8.635 -10.705 34.204 -99.200 -91.000 PHE 228 1.000 15.485 -9.378 31.138 -99.200 -91.000 TYR 229 0.840 11.641 -3.984 26.545 -99.200 -91.000 HIS 231 0.900 18.451 2.711 32.197 -99.200 -91.000 PHE 233 1.000 20.489 9.236 32.178 -99.200 -91.000 TRP 238 1.040 28.729 4.806 22.066 -99.200 -91.000 TRP6 238 1.020 26.909 4.148 20.743 -99.200 -91.000