============================================================================= 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. PHE 5 1.000 43.408 28.793 82.747 -99.200 -91.000 TYR 7 0.840 54.241 29.719 80.568 -99.200 -91.000 TYR 56 0.840 52.509 36.821 94.252 -99.200 -91.000 HIS 62 0.900 44.647 24.254 85.481 -99.200 -91.000 PHE 64 1.000 49.880 20.947 82.434 -99.200 -91.000 TYR 70 0.840 64.495 24.453 83.942 -99.200 -91.000 TYR 72 0.840 59.621 27.772 76.035 -99.200 -91.000 HIS 77 0.900 57.335 24.824 78.756 -99.200 -91.000 PHE 85 1.000 45.737 28.665 78.156 -99.200 -91.000 HIS 127 0.900 34.296 47.741 69.972 -99.200 -91.000 TYR 136 0.840 31.047 42.478 70.445 -99.200 -91.000 TYR 141 0.840 38.679 49.120 77.244 -99.200 -91.000 PHE 147 1.000 53.169 54.521 65.056 -99.200 -91.000 HIS 160 0.900 38.789 35.447 66.337 -99.200 -91.000 TYR 179 0.840 43.412 33.435 97.330 -99.200 -91.000 HIS 186 0.900 46.000 19.484 84.516 -99.200 -91.000 TYR 191 0.840 46.563 18.174 79.570 -99.200 -91.000 TYR 197 0.840 60.299 18.122 65.874 -99.200 -91.000