============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. PHE 2 1.000 37.161 83.608 26.071 -99.200 -91.000 TYR 22 0.840 39.068 78.989 27.894 -99.200 -91.000 TYR 25 0.840 34.324 84.475 36.466 -99.200 -91.000 TYR 28 0.840 25.155 94.255 32.495 -99.200 -91.000 TYR 30 0.840 21.032 89.321 34.814 -99.200 -91.000 PHE 51 1.000 38.415 74.784 9.649 -99.200 -91.000 TYR 53 0.840 30.089 72.355 18.980 -99.200 -91.000 TYR 78 0.840 27.643 84.928 19.115 -99.200 -91.000 PHE 94 1.000 21.267 81.124 41.372 -99.200 -91.000 TYR 107 0.840 36.048 77.973 23.057 -99.200 -91.000 TYR 111 0.840 33.416 63.452 12.258 -99.200 -91.000 TYR 112 0.840 30.257 68.508 5.956 -99.200 -91.000