============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 5 0.840 18.579 36.114 4.118 -99.200 -91.000 TYR 14 0.840 30.085 41.099 -1.090 -99.200 -91.000 HIS 23 0.900 32.240 26.277 -1.006 -99.200 -91.000 PHE 24 1.000 39.307 25.194 -0.819 -99.200 -91.000 TRP 34 1.040 45.478 41.465 -6.209 -99.200 -91.000 TRP6 34 1.020 47.173 40.104 -5.205 -99.200 -91.000 HIS 40 0.900 40.279 28.435 8.510 -99.200 -91.000 TYR 42 0.840 48.713 27.585 0.771 -99.200 -91.000 HIS 53 0.900 21.605 31.798 -5.432 -99.200 -91.000 PHE 64 1.000 33.328 27.453 -12.807 -99.200 -91.000 HIS 73 0.900 49.495 39.017 8.453 -99.200 -91.000 PHE 76 1.000 47.003 30.861 9.408 -99.200 -91.000 TRP 121 1.040 27.405 28.397 -2.291 -99.200 -91.000 TRP6 121 1.020 28.811 30.193 -3.018 -99.200 -91.000 TYR 131 0.840 28.653 20.540 4.264 -99.200 -91.000 TYR 152 0.840 34.419 31.874 21.313 -99.200 -91.000 PHE 165 1.000 21.798 37.257 15.495 -99.200 -91.000 TRP 193 1.040 38.694 31.447 15.881 -99.200 -91.000 TRP6 193 1.020 38.087 31.126 18.165 -99.200 -91.000 TYR 195 0.840 33.784 24.292 21.977 -99.200 -91.000 TYR 206 0.840 32.408 35.984 11.568 -99.200 -91.000 TYR 212 0.840 44.810 41.501 9.400 -99.200 -91.000 TRP 215 1.040 49.825 41.476 4.532 -99.200 -91.000 TRP6 215 1.020 48.179 39.913 3.758 -99.200 -91.000