============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. TYR 10 0.840 46.677 28.865 7.926 -99.200 -91.000 HIS 13 0.900 51.882 29.032 18.983 -99.200 -91.000 TYR 26 0.840 45.754 33.855 3.123 -99.200 -91.000 PHE 30 1.000 38.059 35.678 -2.722 -99.200 -91.000 HIS 31 0.900 37.973 39.427 -9.892 -99.200 -91.000 HIS 34 0.900 28.399 38.543 -2.398 -99.200 -91.000 PHE 56 1.000 43.257 44.379 -4.703 -99.200 -91.000 TRP 60 1.040 44.676 42.962 -12.014 -99.200 -91.000 TRP6 60 1.020 45.178 44.894 -10.733 -99.200 -91.000 PHE 62 1.000 39.130 41.169 -4.857 -99.200 -91.000 TYR 63 0.840 45.978 35.637 -2.715 -99.200 -91.000 HIS 67 0.900 42.746 36.745 13.001 -99.200 -91.000 PHE 70 1.000 41.946 26.497 17.933 -99.200 -91.000 TYR 78 0.840 37.595 24.428 16.774 -99.200 -91.000 HIS 84 0.900 33.638 33.262 -5.734 -99.200 -91.000 TYR 94 0.840 34.571 19.097 6.967 -99.200 -91.000 TRP 95 1.040 42.953 22.480 12.479 -99.200 -91.000 TRP6 95 1.020 42.835 22.039 14.802 -99.200 -91.000