============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. TYR 8 0.840 10.109 21.109 66.462 -99.200 -91.000 TYR 10 0.840 12.574 11.214 65.128 -99.200 -91.000 TRP 11 1.040 8.563 5.117 66.693 -99.200 -91.000 TRP6 11 1.020 8.103 4.503 64.470 -99.200 -91.000 TYR 16 0.840 7.608 3.656 56.608 -99.200 -91.000 TRP 23 1.040 5.920 23.937 60.324 -99.200 -91.000 TRP6 23 1.020 5.723 26.114 59.466 -99.200 -91.000 TRP 32 1.040 0.548 20.619 72.664 -99.200 -91.000 TRP6 32 1.020 2.295 22.148 72.353 -99.200 -91.000 TYR 36 0.840 -2.242 10.675 70.268 -99.200 -91.000 TRP 47 1.040 0.763 8.822 60.417 -99.200 -91.000 TRP6 47 1.020 0.663 11.152 60.693 -99.200 -91.000 TRP 51 1.040 -5.325 19.218 64.015 -99.200 -91.000 TRP6 51 1.020 -6.199 21.222 63.175 -99.200 -91.000 TRP 53 1.040 -2.630 23.941 66.097 -99.200 -91.000 TRP6 53 1.020 -1.121 24.335 67.837 -99.200 -91.000 TYR 63 0.840 3.619 18.080 56.423 -99.200 -91.000 TYR 65 0.840 7.826 15.059 59.238 -99.200 -91.000 TRP 88 1.040 -6.064 11.042 53.703 -99.200 -91.000 TRP6 88 1.020 -7.641 12.749 54.063 -99.200 -91.000 TYR 90 0.840 -7.877 16.287 59.315 -99.200 -91.000 TYR 101 0.840 2.102 11.191 49.710 -99.200 -91.000 PHE 104 1.000 10.978 20.669 52.564 -99.200 -91.000 HIS 111 0.900 18.446 22.705 52.672 -99.200 -91.000 TRP 114 1.040 15.896 23.665 58.254 -99.200 -91.000 TRP6 114 1.020 16.354 25.098 56.443 -99.200 -91.000 TYR 118 0.840 14.004 23.351 42.392 -99.200 -91.000 TRP 123 1.040 -1.267 20.890 49.126 -99.200 -91.000 TRP6 123 1.020 -2.420 22.694 50.093 -99.200 -91.000 TYR 127 0.840 -10.614 18.617 54.655 -99.200 -91.000 TYR 131 0.840 -6.656 30.973 48.615 -99.200 -91.000 PHE 136 1.000 -4.539 26.827 37.537 -99.200 -91.000 HIS 137 0.900 2.497 26.519 35.427 -99.200 -91.000 TRP 147 1.040 -2.818 15.411 40.342 -99.200 -91.000 TRP6 147 1.020 -3.205 14.931 42.605 -99.200 -91.000 TRP 150 1.040 -2.843 26.104 43.225 -99.200 -91.000 TRP6 150 1.020 -3.621 28.196 43.951 -99.200 -91.000 TYR 153 0.840 10.530 31.157 43.335 -99.200 -91.000 TYR 160 0.840 7.717 23.503 40.536 -99.200 -91.000 PHE 162 1.000 2.352 18.388 40.865 -99.200 -91.000 PHE 172 1.000 -2.474 10.121 45.636 -99.200 -91.000 PHE 179 1.000 2.117 13.562 41.229 -99.200 -91.000 PHE 180 1.000 10.646 14.995 42.811 -99.200 -91.000 TYR 182 0.840 3.835 18.547 35.006 -99.200 -91.000 HIS 187 0.900 6.140 23.391 35.504 -99.200 -91.000 TYR 189 0.840 13.158 18.963 40.384 -99.200 -91.000 TYR 199 0.840 8.952 8.906 49.575 -99.200 -91.000 PHE 206 1.000 -2.981 26.486 56.632 -99.200 -91.000 PHE 213 1.000 -3.911 12.573 58.593 -99.200 -91.000 PHE 218 1.000 3.617 7.248 54.182 -99.200 -91.000 TRP 223 1.040 11.834 -0.006 45.013 -99.200 -91.000 TRP6 223 1.020 9.651 -0.201 44.147 -99.200 -91.000