============================================================================= 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 26.710 3.344 30.402 -99.200 -91.000 TRP6 14 1.020 26.962 1.448 31.794 -99.200 -91.000 PHE 19 1.000 35.337 15.638 17.492 -99.200 -91.000 TRP 37 1.040 20.975 -0.264 15.878 -99.200 -91.000 TRP6 37 1.020 19.719 1.205 14.500 -99.200 -91.000 HIS 43 0.900 18.220 18.685 22.245 -99.200 -91.000 TYR 47 0.840 16.072 23.856 18.664 -99.200 -91.000 TRP 49 1.040 19.208 27.372 18.428 -99.200 -91.000 TRP6 49 1.020 20.484 26.384 20.155 -99.200 -91.000 PHE 53 1.000 25.047 19.065 13.173 -99.200 -91.000 HIS 65 0.900 38.607 9.555 32.327 -99.200 -91.000 TYR 70 0.840 43.116 9.144 18.418 -99.200 -91.000 TYR 84 0.840 17.152 4.591 11.128 -99.200 -91.000 HIS 86 0.900 8.758 9.576 18.018 -99.200 -91.000 TYR 89 0.840 12.849 16.835 17.860 -99.200 -91.000 TRP 91 1.040 11.233 20.824 14.961 -99.200 -91.000 TRP6 91 1.020 10.733 23.034 14.297 -99.200 -91.000 PHE 110 1.000 29.941 -4.587 22.784 -99.200 -91.000 TYR 113 0.840 39.771 1.051 28.854 -99.200 -91.000 HIS 115 0.900 29.598 -4.463 28.720 -99.200 -91.000 TYR 132 0.840 13.135 4.464 44.286 -99.200 -91.000 TRP 139 1.040 33.985 14.006 28.261 -99.200 -91.000 TRP6 139 1.020 32.950 12.247 27.058 -99.200 -91.000 PHE 177 1.000 13.159 10.938 33.880 -99.200 -91.000 TYR 181 0.840 20.720 16.350 45.141 -99.200 -91.000 PHE 200 1.000 18.219 9.685 35.653 -99.200 -91.000 PHE 206 1.000 14.440 -5.124 42.286 -99.200 -91.000 TRP 210 1.040 25.543 0.358 36.427 -99.200 -91.000 TRP6 210 1.020 25.351 2.354 37.689 -99.200 -91.000 TYR 211 0.840 17.908 -2.593 33.729 -99.200 -91.000 TRP 218 1.040 13.014 20.191 28.171 -99.200 -91.000 TRP6 218 1.020 12.194 21.867 29.622 -99.200 -91.000 TYR 228 0.840 12.826 20.869 40.688 -99.200 -91.000 PHE 230 1.000 11.540 19.603 33.113 -99.200 -91.000 TYR 231 0.840 17.490 14.351 33.232 -99.200 -91.000 HIS 233 0.900 9.247 7.344 31.136 -99.200 -91.000 PHE 235 1.000 8.383 0.962 29.461 -99.200 -91.000 TRP 240 1.040 10.774 5.430 16.867 -99.200 -91.000 TRP6 240 1.020 12.857 6.353 17.481 -99.200 -91.000 PHE 248 1.000 14.405 0.996 9.199 -99.200 -91.000