============================================================================= 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. PHE 5 1.000 3.404 -36.047 6.254 -99.200 -91.000 PHE 7 1.000 1.807 -31.152 -0.064 -99.200 -91.000 TYR 22 0.840 1.934 -41.442 6.177 -99.200 -91.000 HIS 38 0.900 11.989 -28.689 20.187 -99.200 -91.000 PHE 44 1.000 12.591 -30.927 0.809 -99.200 -91.000 PHE 55 1.000 1.342 -21.441 -3.614 -99.200 -91.000 HIS 58 0.900 9.694 -23.992 -8.539 -99.200 -91.000 TYR 59 0.840 13.804 -21.177 -1.883 -99.200 -91.000 TYR 67 0.840 0.993 -21.992 8.318 -99.200 -91.000 TYR 76 0.840 -6.184 -34.660 13.195 -99.200 -91.000 PHE 85 1.000 6.581 -22.353 8.446 -99.200 -91.000 TYR 88 0.840 15.514 -27.283 3.389 -99.200 -91.000 PHE 112 1.000 15.511 -33.727 7.292 -99.200 -91.000 PHE 113 1.000 11.753 -38.063 13.438 -99.200 -91.000 HIS 124 0.900 16.078 -48.192 15.890 -99.200 -91.000 PHE 131 1.000 5.762 -46.043 10.307 -99.200 -91.000