============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. HIS 3 0.900 7.499 45.377 12.355 -99.200 -91.000 TYR 10 0.840 20.579 42.811 11.971 -99.200 -91.000 TYR 11 0.840 20.093 47.077 15.974 -99.200 -91.000 TYR 24 0.840 34.396 37.984 28.876 -99.200 -91.000 PHE 26 1.000 28.569 28.608 29.331 -99.200 -91.000 TYR 27 0.840 28.897 34.616 30.628 -99.200 -91.000 PHE 62 1.000 35.594 7.009 43.959 -99.200 -91.000 PHE 65 1.000 38.399 12.056 39.635 -99.200 -91.000 PHE 72 1.000 29.051 18.857 30.421 -99.200 -91.000 HIS 83 0.900 34.379 16.475 21.877 -99.200 -91.000 PHE 87 1.000 37.745 21.247 23.732 -99.200 -91.000 TYR 90 0.840 40.863 24.820 30.023 -99.200 -91.000 TYR 95 0.840 30.938 25.650 36.620 -99.200 -91.000 PHE 102 1.000 33.250 16.983 32.543 -99.200 -91.000 HIS 108 0.900 43.690 9.407 29.106 -99.200 -91.000 PHE 109 1.000 37.817 6.720 27.356 -99.200 -91.000