============================================================================= 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. TRP 9 1.040 22.808 0.834 1.461 -99.200 -91.000 TRP6 9 1.020 22.575 -0.840 3.086 -99.200 -91.000 TYR 10 0.840 25.651 -3.266 -4.764 -99.200 -91.000 PHE 17 1.000 19.991 3.441 -1.351 -99.200 -91.000 TYR 31 0.840 17.088 3.217 -7.222 -99.200 -91.000 TYR 42 0.840 16.624 8.194 -13.575 -99.200 -91.000 TYR 48 0.840 20.018 9.442 9.255 -99.200 -91.000 TRP 63 1.040 15.304 6.071 -1.516 -99.200 -91.000 TRP6 63 1.020 15.671 4.305 0.004 -99.200 -91.000 TRP 67 1.040 11.271 6.840 -11.088 -99.200 -91.000 TRP6 67 1.020 13.307 5.724 -10.672 -99.200 -91.000 TYR 71 0.840 21.992 10.925 -20.520 -99.200 -91.000 HIS 75 0.900 6.594 12.692 -18.659 -99.200 -91.000 TRP 80 1.040 12.447 2.265 -2.843 -99.200 -91.000 TRP6 80 1.020 12.905 3.760 -4.611 -99.200 -91.000 TYR 84 0.840 21.426 0.562 8.910 -99.200 -91.000 TRP 96 1.040 8.899 -0.590 -4.437 -99.200 -91.000 TRP6 96 1.020 7.399 -0.531 -6.245 -99.200 -91.000 TRP 108 1.040 -8.997 4.202 -12.347 -99.200 -91.000 TRP6 108 1.020 -8.797 1.880 -11.922 -99.200 -91.000 HIS 115 0.900 7.878 -7.058 -1.688 -99.200 -91.000 PHE 118 1.000 16.991 -0.872 -1.966 -99.200 -91.000