============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 5 1.000 4.451 -3.257 16.069 -99.200 -91.000 TYR 6 0.840 7.475 -0.192 25.963 -99.200 -91.000 TRP 16 1.040 5.107 19.645 26.041 -99.200 -91.000 TRP6 16 1.020 2.806 19.770 25.525 -99.200 -91.000 TRP 41 1.040 14.898 7.068 17.004 -99.200 -91.000 TRP6 41 1.020 15.967 7.490 14.951 -99.200 -91.000 PHE 42 1.000 18.275 2.307 22.979 -99.200 -91.000 HIS 44 0.900 23.047 9.994 23.153 -99.200 -91.000 HIS 45 0.900 31.280 4.250 21.431 -99.200 -91.000 HIS 85 0.900 32.910 1.405 10.178 -99.200 -91.000 TYR 88 0.840 27.518 0.242 15.206 -99.200 -91.000 TRP 91 1.040 26.897 1.172 21.770 -99.200 -91.000 TRP6 91 1.020 25.194 1.238 20.142 -99.200 -91.000 PHE 95 1.000 20.576 -2.052 21.044 -99.200 -91.000 TYR 105 0.840 8.476 -6.027 14.235 -99.200 -91.000 HIS 122 0.900 39.257 0.373 3.980 -99.200 -91.000 TYR 133 0.840 30.323 -8.018 14.770 -99.200 -91.000 TYR 148 0.840 11.928 -5.436 10.214 -99.200 -91.000 PHE 149 1.000 21.312 -5.516 7.658 -99.200 -91.000 HIS 153 0.900 14.072 9.194 1.056 -99.200 -91.000 TRP 156 1.040 19.074 9.212 -1.164 -99.200 -91.000 TRP6 156 1.020 18.943 8.997 1.178 -99.200 -91.000 HIS 157 0.900 21.569 6.172 -3.061 -99.200 -91.000 TRP 165 1.040 25.543 0.149 -2.286 -99.200 -91.000 TRP6 165 1.020 24.267 2.102 -2.620 -99.200 -91.000 HIS 176 0.900 11.507 -10.771 9.053 -99.200 -91.000 TYR 185 0.840 9.337 14.854 6.737 -99.200 -91.000 TRP 187 1.040 2.440 11.459 -1.347 -99.200 -91.000 TRP6 187 1.020 0.598 12.064 0.005 -99.200 -91.000 TYR 194 0.840 13.532 2.436 -1.989 -99.200 -91.000 TRP 225 1.040 17.775 16.750 5.116 -99.200 -91.000 TRP6 225 1.020 18.450 16.887 7.377 -99.200 -91.000 PHE 249 1.000 1.578 0.826 6.041 -99.200 -91.000 TRP 251 1.040 3.435 7.005 13.631 -99.200 -91.000 TRP6 251 1.020 2.426 8.578 15.069 -99.200 -91.000 PHE 268 1.000 6.569 16.930 21.847 -99.200 -91.000 TYR 274 0.840 -2.994 21.673 18.178 -99.200 -91.000