============================================================================= 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 14 1.000 5.357 6.924 -4.634 -99.200 -91.000 PHE 17 1.000 9.865 9.139 -10.025 -99.200 -91.000 PHE 24 1.000 10.728 4.168 -8.371 -99.200 -91.000 PHE 37 1.000 17.003 -4.998 5.165 -99.200 -91.000 HIS 47 0.900 15.357 -19.216 -4.708 -99.200 -91.000 HIS 52 0.900 22.081 -21.301 -6.375 -99.200 -91.000 TYR 58 0.840 33.638 -13.850 -2.101 -99.200 -91.000 PHE 67 1.000 26.551 -0.398 -3.900 -99.200 -91.000 PHE 69 1.000 16.797 -4.637 -0.631 -99.200 -91.000 TRP 96 1.040 35.031 0.279 -19.475 -99.200 -91.000 TRP6 96 1.020 37.347 0.394 -18.913 -99.200 -91.000 TYR 99 0.840 23.515 -0.549 -17.545 -99.200 -91.000 TYR 103 0.840 13.611 7.959 -23.779 -99.200 -91.000 PHE 171 1.000 14.956 -12.390 -11.513 -99.200 -91.000 PHE 172 1.000 13.106 -16.452 -5.207 -99.200 -91.000 TYR 177 0.840 4.414 -5.419 -7.715 -99.200 -91.000