============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 27 1.000 11.822 30.840 17.571 -99.200 -91.000 PHE 29 1.000 11.878 30.110 11.142 -99.200 -91.000 TRP 33 1.040 13.447 19.613 13.932 -99.200 -91.000 TRP6 33 1.020 12.881 17.322 14.021 -99.200 -91.000 TRP 36 1.040 1.502 26.210 10.499 -99.200 -91.000 TRP6 36 1.020 0.541 28.316 10.992 -99.200 -91.000 TRP 47 1.040 1.857 18.084 14.563 -99.200 -91.000 TRP6 47 1.020 1.795 16.315 12.997 -99.200 -91.000 HIS 58 0.900 14.480 23.901 5.436 -99.200 -91.000 TYR 61 0.840 8.496 14.065 8.806 -99.200 -91.000 TYR 62 0.840 2.172 17.952 5.313 -99.200 -91.000 PHE 70 1.000 -4.898 21.710 5.913 -99.200 -91.000 TYR 82 0.840 5.452 31.621 4.620 -99.200 -91.000 TYR 96 0.840 -6.082 25.624 11.130 -99.200 -91.000 TYR 97 0.840 -3.905 28.296 19.039 -99.200 -91.000 TYR 102 0.840 9.696 27.191 20.857 -99.200 -91.000 TYR 103 0.840 18.962 24.686 20.359 -99.200 -91.000 HIS 104 0.900 17.659 27.044 27.239 -99.200 -91.000 TYR 105 0.840 11.417 25.708 29.019 -99.200 -91.000 TRP 107 1.040 7.455 21.105 26.265 -99.200 -91.000 TRP6 107 1.020 9.304 20.480 27.607 -99.200 -91.000 PHE 108 1.000 4.095 21.034 19.151 -99.200 -91.000 TYR 110 0.840 8.639 29.810 25.005 -99.200 -91.000 TRP 111 1.040 1.427 26.521 22.174 -99.200 -91.000 TRP6 111 1.020 -0.371 25.212 21.404 -99.200 -91.000