============================================================================= 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. HIS 6 0.900 42.255 8.666 32.164 -99.200 -91.000 PHE 11 1.000 43.511 8.879 45.843 -99.200 -91.000 TYR 12 0.840 35.431 6.510 47.685 -99.200 -91.000 TYR 34 0.840 61.389 14.329 40.533 -99.200 -91.000 PHE 45 1.000 47.376 21.920 40.932 -99.200 -91.000 HIS 46 0.900 40.933 26.571 39.373 -99.200 -91.000 PHE 48 1.000 38.300 30.281 41.474 -99.200 -91.000 TYR 51 0.840 32.139 25.262 43.595 -99.200 -91.000 HIS 63 0.900 44.260 14.518 31.774 -99.200 -91.000 HIS 67 0.900 38.507 18.662 38.929 -99.200 -91.000 TRP 69 1.040 33.067 17.781 45.615 -99.200 -91.000 TRP6 69 1.020 34.175 17.055 43.653 -99.200 -91.000 TYR 72 0.840 30.101 15.898 50.209 -99.200 -91.000 TYR 74 0.840 35.113 11.936 45.356 -99.200 -91.000 PHE 80 1.000 45.602 10.101 28.791 -99.200 -91.000 TRP 89 1.040 49.156 1.671 38.417 -99.200 -91.000 TRP6 89 1.020 47.341 1.599 39.931 -99.200 -91.000 PHE 92 1.000 46.887 4.495 44.084 -99.200 -91.000 HIS 94 0.900 53.871 12.524 46.695 -99.200 -91.000 HIS 105 0.900 36.304 1.408 42.002 -99.200 -91.000 HIS 109 0.900 39.012 3.747 31.449 -99.200 -91.000 TYR 114 0.840 50.878 0.842 20.562 -99.200 -91.000