============================================================================= 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 8.203 7.179 18.375 -99.200 -91.000 TRP6 14 1.020 6.948 9.037 19.115 -99.200 -91.000 PHE 19 1.000 12.771 -4.169 2.944 -99.200 -91.000 TRP 37 1.040 22.860 11.284 13.937 -99.200 -91.000 TRP6 37 1.020 24.719 9.854 13.656 -99.200 -91.000 HIS 43 0.900 19.459 -7.793 19.290 -99.200 -91.000 TYR 47 0.840 23.513 -13.189 18.552 -99.200 -91.000 TRP 49 1.040 21.567 -16.956 16.114 -99.200 -91.000 TRP6 49 1.020 19.753 -15.599 16.782 -99.200 -91.000 PHE 53 1.000 22.218 -7.942 8.124 -99.200 -91.000 HIS 65 0.900 -0.877 1.542 10.273 -99.200 -91.000 TYR 70 0.840 7.455 2.609 -1.717 -99.200 -91.000 TYR 84 0.840 29.241 6.287 13.644 -99.200 -91.000 HIS 86 0.900 28.698 0.915 24.354 -99.200 -91.000 TYR 89 0.840 26.409 -6.248 20.572 -99.200 -91.000 TRP 91 1.040 29.862 -10.075 19.888 -99.200 -91.000 TRP6 91 1.020 30.706 -12.273 19.650 -99.200 -91.000 PHE 110 1.000 12.084 15.582 11.483 -99.200 -91.000 TYR 113 0.840 0.959 10.144 7.373 -99.200 -91.000 HIS 115 0.900 7.784 15.620 15.186 -99.200 -91.000 TYR 132 0.840 6.072 5.657 37.568 -99.200 -91.000 TRP 139 1.040 5.703 -2.925 11.051 -99.200 -91.000 TRP6 139 1.020 7.085 -1.022 11.023 -99.200 -91.000 PHE 176 1.000 13.658 -0.374 30.624 -99.200 -91.000 TYR 180 0.840 0.326 -5.958 31.888 -99.200 -91.000 PHE 199 1.000 9.385 0.321 27.931 -99.200 -91.000 PHE 205 1.000 7.346 14.582 35.654 -99.200 -91.000 TRP 209 1.040 4.250 10.215 23.057 -99.200 -91.000 TRP6 209 1.020 3.461 8.231 24.061 -99.200 -91.000 TYR 210 0.840 11.360 12.890 27.355 -99.200 -91.000 TRP 217 1.040 18.390 -9.682 26.842 -99.200 -91.000 TRP6 217 1.020 17.823 -11.140 28.604 -99.200 -91.000 TYR 227 0.840 8.668 -10.634 34.305 -99.200 -91.000 PHE 229 1.000 15.456 -9.266 31.304 -99.200 -91.000 TYR 230 0.840 11.576 -3.839 26.548 -99.200 -91.000 HIS 232 0.900 18.515 2.748 32.218 -99.200 -91.000 PHE 234 1.000 20.412 9.290 32.219 -99.200 -91.000 TRP 239 1.040 28.789 4.834 21.903 -99.200 -91.000 TRP6 239 1.020 26.833 4.148 20.776 -99.200 -91.000 PHE 247 1.000 32.716 9.528 14.320 -99.200 -91.000