============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TYR 6 0.840 20.424 24.241 -1.562 -99.200 -91.000 HIS 18 0.900 17.361 20.645 26.812 -99.200 -91.000 TRP 23 1.040 14.812 12.907 14.653 -99.200 -91.000 TRP6 23 1.020 16.819 13.451 13.531 -99.200 -91.000 TYR 44 0.840 25.254 13.889 12.087 -99.200 -91.000 PHE 47 1.000 19.100 9.937 12.365 -99.200 -91.000 PHE 52 1.000 18.679 9.585 0.570 -99.200 -91.000 PHE 63 1.000 26.631 1.920 13.953 -99.200 -91.000 HIS 69 0.900 42.303 6.285 15.233 -99.200 -91.000 TYR 71 0.840 35.075 10.321 17.999 -99.200 -91.000 PHE 75 1.000 31.332 13.483 11.185 -99.200 -91.000 PHE 82 1.000 25.780 14.356 3.676 -99.200 -91.000 PHE 101 1.000 25.685 23.220 22.026 -99.200 -91.000 PHE 105 1.000 21.625 23.149 19.042 -99.200 -91.000 PHE 107 1.000 26.562 17.989 9.452 -99.200 -91.000 TRP 110 1.040 21.791 21.065 6.077 -99.200 -91.000 TRP6 110 1.020 22.738 18.940 5.665 -99.200 -91.000 PHE 111 1.000 21.825 13.869 8.864 -99.200 -91.000 PHE 114 1.000 20.054 15.126 3.400 -99.200 -91.000 PHE 115 1.000 15.309 11.209 9.041 -99.200 -91.000 TYR 119 0.840 11.337 8.349 7.600 -99.200 -91.000 TYR 124 0.840 17.130 1.930 9.756 -99.200 -91.000