============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 13.318 40.175 52.962 -99.200 -91.000 TRP6 14 1.020 14.644 42.000 52.220 -99.200 -91.000 PHE 19 1.000 8.900 28.559 68.282 -99.200 -91.000 TRP 37 1.040 -1.327 44.350 57.209 -99.200 -91.000 TRP6 37 1.020 -3.149 42.851 57.243 -99.200 -91.000 HIS 43 0.900 2.086 24.809 52.201 -99.200 -91.000 TYR 47 0.840 -2.193 19.718 53.143 -99.200 -91.000 TRP 49 1.040 -0.794 15.799 56.104 -99.200 -91.000 TRP6 49 1.020 1.294 16.877 56.021 -99.200 -91.000 PHE 53 1.000 -0.972 25.001 63.081 -99.200 -91.000 HIS 65 0.900 22.659 34.461 61.421 -99.200 -91.000 TYR 70 0.840 14.061 35.552 73.450 -99.200 -91.000 TYR 84 0.840 -7.470 39.043 57.424 -99.200 -91.000 HIS 86 0.900 -7.180 33.918 46.857 -99.200 -91.000 TYR 89 0.840 -4.822 26.524 50.556 -99.200 -91.000 TRP 91 1.040 -8.510 22.621 51.331 -99.200 -91.000 TRP6 91 1.020 -9.335 20.416 51.578 -99.200 -91.000 PHE 110 1.000 9.506 48.414 59.821 -99.200 -91.000 TYR 113 0.840 20.433 43.227 64.103 -99.200 -91.000 HIS 115 0.900 13.868 48.293 56.099 -99.200 -91.000 TYR 132 0.840 15.966 38.430 33.706 -99.200 -91.000 TRP 139 1.040 16.266 30.088 60.429 -99.200 -91.000 TRP6 139 1.020 14.626 31.782 60.298 -99.200 -91.000 TRP 146 1.040 6.800 15.103 52.391 -99.200 -91.000 TRP6 146 1.020 7.898 15.429 50.318 -99.200 -91.000 PHE 184 1.000 7.905 32.418 40.682 -99.200 -91.000 TYR 188 0.840 21.230 26.885 39.645 -99.200 -91.000 PHE 207 1.000 12.331 33.354 43.401 -99.200 -91.000 PHE 213 1.000 14.950 48.128 35.697 -99.200 -91.000 TRP 217 1.040 17.414 43.157 48.265 -99.200 -91.000 TRP6 217 1.020 18.200 41.172 47.237 -99.200 -91.000 TYR 218 0.840 10.540 45.915 44.039 -99.200 -91.000 TRP 225 1.040 3.250 23.151 44.402 -99.200 -91.000 TRP6 225 1.020 3.855 21.495 42.819 -99.200 -91.000 TYR 235 0.840 12.943 22.170 36.795 -99.200 -91.000 PHE 237 1.000 6.153 23.493 39.979 -99.200 -91.000 TYR 238 0.840 9.967 29.103 44.593 -99.200 -91.000 HIS 240 0.900 3.249 35.486 39.085 -99.200 -91.000 PHE 242 1.000 1.239 42.319 39.102 -99.200 -91.000 TRP 247 1.040 -7.220 37.690 49.126 -99.200 -91.000 TRP6 247 1.020 -5.374 37.042 50.469 -99.200 -91.000 PHE 255 1.000 -8.174 46.296 60.968 -99.200 -91.000