============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. HIS 7 0.900 36.864 12.746 10.083 -99.200 -91.000 PHE 21 1.000 24.213 26.848 4.163 -99.200 -91.000 TYR 22 0.840 27.707 23.047 5.109 -99.200 -91.000 PHE 28 1.000 32.427 22.917 2.304 -99.200 -91.000 TRP 34 1.040 26.039 6.957 4.009 -99.200 -91.000 TRP6 34 1.020 27.762 8.548 4.307 -99.200 -91.000 TYR 39 0.840 32.229 10.218 3.783 -99.200 -91.000 TRP 46 1.040 36.055 13.635 4.761 -99.200 -91.000 TRP6 46 1.020 37.097 11.755 5.728 -99.200 -91.000 TYR 55 0.840 22.130 18.941 15.600 -99.200 -91.000 TYR 62 0.840 31.330 33.239 23.589 -99.200 -91.000 HIS 64 0.900 33.538 31.093 15.652 -99.200 -91.000 TYR 65 0.840 31.837 24.118 13.468 -99.200 -91.000 PHE 67 1.000 33.386 26.719 6.271 -99.200 -91.000 PHE 74 1.000 33.690 39.823 4.283 -99.200 -91.000 PHE 77 1.000 30.491 33.612 1.362 -99.200 -91.000 HIS 84 0.900 20.114 31.332 -0.714 -99.200 -91.000 TRP 89 1.040 27.178 32.965 13.920 -99.200 -91.000 TRP6 89 1.020 28.767 33.022 15.658 -99.200 -91.000 PHE 99 1.000 27.627 36.849 5.858 -99.200 -91.000 TYR 100 0.840 32.001 36.325 12.918 -99.200 -91.000 PHE 101 1.000 28.001 31.577 6.426 -99.200 -91.000 HIS 107 0.900 26.048 22.083 13.056 -99.200 -91.000 HIS 112 0.900 39.248 36.034 9.511 -99.200 -91.000 TYR 128 0.840 42.582 39.802 20.736 -99.200 -91.000 PHE 133 1.000 51.325 38.187 21.165 -99.200 -91.000