============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TYR 8 0.840 -8.788 -23.400 6.304 -99.200 -91.000 TRP 18 1.040 -6.177 -13.310 -6.341 -99.200 -91.000 TRP6 18 1.020 -3.967 -12.836 -5.681 -99.200 -91.000 HIS 20 0.900 -14.158 -8.552 -0.394 -99.200 -91.000 PHE 22 1.000 -14.506 -3.236 -1.053 -99.200 -91.000 TRP 24 1.040 -8.740 -3.587 -6.698 -99.200 -91.000 TRP6 24 1.020 -7.344 -1.717 -6.978 -99.200 -91.000 PHE 26 1.000 -4.991 -4.857 0.872 -99.200 -91.000 TYR 27 0.840 -5.605 -9.338 -6.565 -99.200 -91.000 TYR 40 0.840 4.391 1.202 2.155 -99.200 -91.000 HIS 41 0.900 9.176 0.329 0.737 -99.200 -91.000 TYR 61 0.840 9.224 -17.860 2.914 -99.200 -91.000 TYR 62 0.840 4.248 -18.803 4.403 -99.200 -91.000 TRP 63 1.040 9.421 -26.031 9.931 -99.200 -91.000 TRP6 63 1.020 8.688 -25.777 12.160 -99.200 -91.000 PHE 72 1.000 -3.333 -13.891 4.322 -99.200 -91.000 PHE 76 1.000 -5.704 -8.462 6.381 -99.200 -91.000 TYR 80 0.840 -6.163 -2.103 9.262 -99.200 -91.000 TYR 82 0.840 2.016 5.177 3.806 -99.200 -91.000 PHE 100 1.000 -5.841 -13.754 8.626 -99.200 -91.000