============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 12 1.040 -3.660 39.704 42.604 -99.200 -91.000 TRP6 12 1.020 -4.624 39.822 44.755 -99.200 -91.000 TYR 20 0.840 1.058 21.066 28.622 -99.200 -91.000 TRP 26 1.040 8.653 25.805 27.788 -99.200 -91.000 TRP6 26 1.020 8.837 24.095 29.414 -99.200 -91.000 HIS 28 0.900 -1.612 28.965 32.989 -99.200 -91.000 TRP 39 1.040 10.563 23.827 48.813 -99.200 -91.000 TRP6 39 1.020 9.942 21.627 48.235 -99.200 -91.000 HIS 45 0.900 -7.366 16.647 38.417 -99.200 -91.000 PHE 53 1.000 3.837 19.307 35.040 -99.200 -91.000 HIS 60 0.900 -0.349 41.507 34.016 -99.200 -91.000 TYR 71 0.840 10.414 32.626 31.104 -99.200 -91.000 HIS 80 0.900 -1.705 14.763 51.846 -99.200 -91.000 TYR 82 0.840 -4.095 9.206 53.691 -99.200 -91.000 TRP 83 1.040 -4.141 13.587 43.665 -99.200 -91.000 TRP6 83 1.020 -6.168 14.778 43.539 -99.200 -91.000 TYR 91 0.840 -6.588 13.682 52.058 -99.200 -91.000 TYR 107 0.840 7.388 43.809 38.354 -99.200 -91.000 TYR 127 0.840 -10.320 40.991 44.930 -99.200 -91.000 TRP 131 1.040 -1.977 34.465 33.318 -99.200 -91.000 TRP6 131 1.020 -0.579 34.013 35.159 -99.200 -91.000 TYR 148 0.840 -15.838 40.330 46.921 -99.200 -91.000 TYR 154 0.840 -18.568 21.068 56.060 -99.200 -91.000 TYR 160 0.840 -25.053 27.221 48.375 -99.200 -91.000 TRP 161 1.040 -19.671 22.770 45.236 -99.200 -91.000 TRP6 161 1.020 -19.175 21.515 43.309 -99.200 -91.000 HIS 190 0.900 -3.989 35.923 45.888 -99.200 -91.000 TYR 197 0.840 -6.140 41.192 49.833 -99.200 -91.000 HIS 200 0.900 -7.002 32.506 54.627 -99.200 -91.000 PHE 205 1.000 -14.348 20.232 43.960 -99.200 -91.000 PHE 220 1.000 -10.955 28.688 45.603 -99.200 -91.000 TYR 226 0.840 -4.280 19.687 53.026 -99.200 -91.000 TRP 229 1.040 1.862 16.967 53.086 -99.200 -91.000 TRP6 229 1.020 1.905 18.194 51.063 -99.200 -91.000