============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TYR 4 0.840 56.402 47.206 5.702 -99.200 -91.000 PHE 20 1.000 48.505 41.140 4.620 -99.200 -91.000 HIS 45 0.900 55.857 54.983 14.665 -99.200 -91.000 PHE 54 1.000 45.803 44.984 7.483 -99.200 -91.000 PHE 61 1.000 44.342 29.908 -2.082 -99.200 -91.000 PHE 62 1.000 43.054 39.111 3.379 -99.200 -91.000 PHE 63 1.000 47.507 36.661 5.071 -99.200 -91.000 HIS 65 0.900 47.749 26.335 4.694 -99.200 -91.000 TYR 74 0.840 54.413 30.189 11.379 -99.200 -91.000 PHE 93 1.000 47.265 36.551 13.142 -99.200 -91.000 PHE 118 1.000 45.595 40.083 8.867 -99.200 -91.000 PHE 126 1.000 32.682 46.054 6.435 -99.200 -91.000 HIS 152 0.900 39.120 37.563 17.959 -99.200 -91.000 PHE 172 1.000 30.721 27.922 8.240 -99.200 -91.000 TYR 180 0.840 26.157 29.680 11.007 -99.200 -91.000 TRP 182 1.040 34.533 33.446 10.214 -99.200 -91.000 TRP6 182 1.020 34.388 31.105 9.988 -99.200 -91.000 PHE 195 1.000 29.644 48.333 2.972 -99.200 -91.000 PHE 206 1.000 33.762 60.125 12.353 -99.200 -91.000 PHE 236 1.000 48.178 24.871 16.070 -99.200 -91.000 PHE 253 1.000 52.784 20.084 3.380 -99.200 -91.000 PHE 257 1.000 47.798 22.011 3.818 -99.200 -91.000 HIS 273 0.900 37.422 14.457 -0.478 -99.200 -91.000