============================================================================= 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 8.328 7.416 18.281 -99.200 -91.000 TRP6 14 1.020 7.069 9.301 18.978 -99.200 -91.000 PHE 19 1.000 12.618 -4.257 2.950 -99.200 -91.000 TRP 37 1.040 22.940 11.334 14.066 -99.200 -91.000 TRP6 37 1.020 24.771 9.844 13.992 -99.200 -91.000 HIS 43 0.900 19.114 -7.939 19.090 -99.200 -91.000 TYR 47 0.840 23.421 -13.061 18.768 -99.200 -91.000 TRP 49 1.040 21.277 -16.537 16.229 -99.200 -91.000 TRP6 49 1.020 19.362 -15.304 16.826 -99.200 -91.000 PHE 53 1.000 22.262 -8.024 8.132 -99.200 -91.000 HIS 65 0.900 -0.948 1.459 9.982 -99.200 -91.000 TYR 70 0.840 7.194 2.586 -2.100 -99.200 -91.000 TYR 84 0.840 29.110 6.381 13.805 -99.200 -91.000 HIS 86 0.900 28.699 0.979 24.504 -99.200 -91.000 TYR 89 0.840 26.277 -6.233 20.767 -99.200 -91.000 TRP 91 1.040 29.821 -9.953 19.936 -99.200 -91.000 TRP6 91 1.020 30.855 -12.052 19.598 -99.200 -91.000 PHE 110 1.000 12.121 15.770 11.540 -99.200 -91.000 TYR 113 0.840 1.108 10.266 7.314 -99.200 -91.000 HIS 115 0.900 7.898 15.376 15.304 -99.200 -91.000 TYR 132 0.840 5.887 5.665 37.443 -99.200 -91.000 TRP 139 1.040 5.622 -2.914 10.885 -99.200 -91.000 TRP6 139 1.020 7.164 -1.124 11.029 -99.200 -91.000 PHE 176 1.000 13.513 -0.440 30.525 -99.200 -91.000 TYR 180 0.840 0.267 -6.074 31.893 -99.200 -91.000 PHE 199 1.000 9.205 0.347 28.089 -99.200 -91.000 PHE 205 1.000 7.199 14.856 35.829 -99.200 -91.000 TRP 209 1.040 4.223 10.232 23.030 -99.200 -91.000 TRP6 209 1.020 3.508 8.218 24.042 -99.200 -91.000 TYR 210 0.840 11.316 12.944 27.320 -99.200 -91.000 TRP 217 1.040 18.253 -9.680 27.081 -99.200 -91.000 TRP6 217 1.020 17.643 -11.123 28.848 -99.200 -91.000 TYR 227 0.840 8.465 -10.568 34.281 -99.200 -91.000 PHE 229 1.000 15.343 -9.162 31.351 -99.200 -91.000 TYR 230 0.840 11.503 -3.899 26.548 -99.200 -91.000 HIS 232 0.900 18.433 2.646 32.270 -99.200 -91.000 PHE 234 1.000 20.328 9.315 32.121 -99.200 -91.000 TRP 239 1.040 28.722 4.759 22.048 -99.200 -91.000 TRP6 239 1.020 26.836 4.149 20.757 -99.200 -91.000 PHE 247 1.000 32.484 9.261 14.641 -99.200 -91.000