============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 5 1.000 33.434 62.598 61.563 -99.200 -91.000 PHE 8 1.000 31.462 52.207 60.784 -99.200 -91.000 HIS 19 0.900 34.103 31.515 48.955 -99.200 -91.000 PHE 21 1.000 32.217 36.152 53.762 -99.200 -91.000 TYR 32 0.840 24.500 62.462 69.712 -99.200 -91.000 PHE 50 1.000 28.798 35.658 49.823 -99.200 -91.000 TRP 52 1.040 28.462 44.374 49.574 -99.200 -91.000 TRP6 52 1.020 30.600 43.822 50.441 -99.200 -91.000 PHE 59 1.000 30.370 44.596 56.054 -99.200 -91.000 TYR 63 0.840 27.733 56.125 63.468 -99.200 -91.000 HIS 66 0.900 17.051 55.920 68.854 -99.200 -91.000 TYR 73 0.840 19.655 48.478 75.331 -99.200 -91.000 PHE 78 1.000 29.012 52.411 72.126 -99.200 -91.000 PHE 82 1.000 25.317 48.244 70.183 -99.200 -91.000 TRP 84 1.040 25.048 44.311 65.854 -99.200 -91.000 TRP6 84 1.020 24.614 42.965 63.946 -99.200 -91.000 PHE 90 1.000 18.652 35.805 53.262 -99.200 -91.000 PHE 109 1.000 30.707 54.654 68.091 -99.200 -91.000 TYR 111 0.840 30.515 49.361 64.522 -99.200 -91.000 PHE 115 1.000 26.619 36.683 56.881 -99.200 -91.000 PHE 120 1.000 21.725 32.190 51.770 -99.200 -91.000 TRP 134 1.040 19.629 45.050 51.788 -99.200 -91.000 TRP6 134 1.020 18.499 43.055 52.415 -99.200 -91.000 TYR 142 0.840 9.914 42.859 70.796 -99.200 -91.000 HIS 153 0.900 7.475 40.948 57.968 -99.200 -91.000 HIS 163 0.900 10.174 44.187 45.638 -99.200 -91.000 TYR 164 0.840 16.167 36.019 48.202 -99.200 -91.000 PHE 168 1.000 17.842 41.880 57.838 -99.200 -91.000 TYR 172 0.840 19.220 45.867 67.813 -99.200 -91.000 TYR 183 0.840 5.145 47.404 69.429 -99.200 -91.000 TYR 184 0.840 12.479 52.549 69.223 -99.200 -91.000 TYR 185 0.840 6.489 50.431 64.417 -99.200 -91.000 HIS 195 0.900 29.658 48.146 41.953 -99.200 -91.000 TYR 199 0.840 29.025 44.731 43.653 -99.200 -91.000 TYR 205 0.840 23.785 58.247 53.301 -99.200 -91.000 HIS 212 0.900 6.847 57.708 70.626 -99.200 -91.000 HIS 213 0.900 1.352 53.212 64.051 -99.200 -91.000 PHE 215 1.000 -2.511 55.643 61.653 -99.200 -91.000