============================================================================= 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 8.241 7.249 18.393 -99.200 -91.000 TRP6 14 1.020 6.993 9.148 19.084 -99.200 -91.000 PHE 19 1.000 12.717 -4.348 3.029 -99.200 -91.000 TRP 37 1.040 22.832 11.277 14.227 -99.200 -91.000 TRP6 37 1.020 24.658 9.775 14.123 -99.200 -91.000 HIS 43 0.900 19.127 -7.992 19.254 -99.200 -91.000 TYR 47 0.840 23.627 -13.168 18.809 -99.200 -91.000 TRP 49 1.040 21.571 -16.805 16.256 -99.200 -91.000 TRP6 49 1.020 19.707 -15.482 16.834 -99.200 -91.000 PHE 53 1.000 22.225 -7.975 8.164 -99.200 -91.000 HIS 65 0.900 -0.930 1.402 10.128 -99.200 -91.000 TYR 70 0.840 7.155 2.498 -2.018 -99.200 -91.000 TYR 84 0.840 28.998 6.215 13.915 -99.200 -91.000 HIS 86 0.900 28.273 1.233 24.496 -99.200 -91.000 TYR 89 0.840 26.330 -6.365 20.818 -99.200 -91.000 TRP 91 1.040 29.927 -9.949 19.966 -99.200 -91.000 TRP6 91 1.020 30.993 -12.032 19.647 -99.200 -91.000 PHE 110 1.000 11.933 15.657 11.656 -99.200 -91.000 TYR 113 0.840 1.076 10.204 7.417 -99.200 -91.000 HIS 115 0.900 7.736 15.312 15.285 -99.200 -91.000 TYR 132 0.840 5.676 5.382 37.605 -99.200 -91.000 TRP 139 1.040 5.515 -3.026 10.863 -99.200 -91.000 TRP6 139 1.020 7.006 -1.206 11.075 -99.200 -91.000 PHE 176 1.000 13.525 -0.657 30.480 -99.200 -91.000 TYR 180 0.840 0.213 -6.353 31.840 -99.200 -91.000 PHE 199 1.000 9.074 0.155 28.119 -99.200 -91.000 PHE 205 1.000 6.870 14.688 36.053 -99.200 -91.000 TRP 209 1.040 4.086 10.104 23.108 -99.200 -91.000 TRP6 209 1.020 3.373 8.054 24.102 -99.200 -91.000 TYR 210 0.840 11.240 12.675 27.423 -99.200 -91.000 TRP 217 1.040 18.320 -9.946 27.081 -99.200 -91.000 TRP6 217 1.020 17.778 -11.424 28.813 -99.200 -91.000 TYR 227 0.840 8.387 -10.853 34.198 -99.200 -91.000 PHE 229 1.000 15.318 -9.488 31.234 -99.200 -91.000 TYR 230 0.840 11.531 -4.023 26.602 -99.200 -91.000 HIS 232 0.900 18.258 2.515 32.329 -99.200 -91.000 PHE 234 1.000 20.205 9.127 32.223 -99.200 -91.000 TRP 239 1.040 28.635 4.721 22.259 -99.200 -91.000 TRP6 239 1.020 26.763 4.082 20.966 -99.200 -91.000 PHE 247 1.000 32.146 9.252 14.567 -99.200 -91.000