============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TRP 14 1.040 -2.304 28.514 64.144 -99.200 -91.000 TRP6 14 1.020 -3.552 27.140 65.608 -99.200 -91.000 TRP 35 1.040 0.502 42.156 72.039 -99.200 -91.000 TRP6 35 1.020 2.125 43.782 71.463 -99.200 -91.000 HIS 41 0.900 13.201 37.098 56.681 -99.200 -91.000 PHE 43 1.000 8.039 43.615 59.814 -99.200 -91.000 TRP 49 1.040 9.108 51.992 58.842 -99.200 -91.000 TRP6 49 1.020 9.152 49.836 59.819 -99.200 -91.000 HIS 59 0.900 -8.441 28.219 52.570 -99.200 -91.000 HIS 64 0.900 -11.378 40.454 49.775 -99.200 -91.000 TYR 82 0.840 17.030 41.370 61.975 -99.200 -91.000 HIS 89 0.900 19.592 37.491 68.619 -99.200 -91.000 HIS 97 0.900 -6.722 49.317 63.569 -99.200 -91.000 HIS 105 0.900 -14.172 30.167 59.807 -99.200 -91.000 PHE 116 1.000 4.723 22.502 77.229 -99.200 -91.000 PHE 123 1.000 14.497 17.494 73.238 -99.200 -91.000 PHE 126 1.000 7.883 13.848 61.393 -99.200 -91.000 TRP 132 1.040 -2.275 32.240 51.699 -99.200 -91.000 TRP6 132 1.020 -2.350 33.204 53.855 -99.200 -91.000 TYR 166 0.840 19.872 33.701 70.617 -99.200 -91.000 PHE 168 1.000 13.033 25.048 65.225 -99.200 -91.000 TYR 172 0.840 10.372 15.972 55.230 -99.200 -91.000 HIS 188 0.900 8.530 24.200 63.824 -99.200 -91.000 HIS 191 0.900 -1.604 17.711 69.060 -99.200 -91.000 TYR 192 0.840 3.384 17.465 75.428 -99.200 -91.000 TRP 196 1.040 -2.443 21.960 67.077 -99.200 -91.000 TRP6 196 1.020 -0.887 20.978 65.600 -99.200 -91.000 TYR 197 0.840 1.409 24.229 73.797 -99.200 -91.000 TRP 204 1.040 18.777 31.402 58.287 -99.200 -91.000 TRP6 204 1.020 20.602 30.215 57.357 -99.200 -91.000 HIS 213 0.900 22.069 23.361 51.692 -99.200 -91.000 PHE 214 1.000 18.139 18.698 56.964 -99.200 -91.000 TYR 217 0.840 11.486 26.146 60.059 -99.200 -91.000 TYR 223 0.840 14.402 35.474 70.225 -99.200 -91.000 TRP 226 1.040 12.822 41.023 73.604 -99.200 -91.000 TRP6 226 1.020 11.741 41.156 71.502 -99.200 -91.000 PHE 245 1.000 16.887 38.034 73.356 -99.200 -91.000