=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 1 rings
        ring        int.           center             anis.    iso.
       PHE  1     1.000    34.822   9.088 -35.537  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
3ktiL1 PHE   2 HA     0.00  -0.08   0.13  -0.75   4.62     3.92
3ktiL1 PHE   2 HB2    0.00   0.05   0.14  -0.04   3.15     3.29
3ktiL1 PHE   2 HB3    0.00  -0.00   0.03  -0.04   3.06     3.05
3ktiL1 PHE   2 HD2    0.00   0.03   0.01  -0.04   7.28     7.28
3ktiL1 PHE   2 HE2    0.00  -0.02   0.01  -0.04   7.38     7.33
3ktiL1 PHE   2 HZ     0.00  -0.02   0.01  -0.04   7.32     7.26
3ktiL1 SER   3 H      0.03   0.15   0.02  -0.55   8.46     8.12
3ktiL1 SER   3 HA     0.06   0.15   0.26  -0.75   4.49     4.21
3ktiL1 SER   3 HB2    0.01  -0.03  -0.00  -0.04   3.95     3.88
3ktiL1 SER   3 HB3    0.02  -0.04  -0.04  -0.04   3.93     3.83
3ktiL1 PRO   4 HA     0.03   0.08   0.23  -0.51   4.44     4.27
3ktiL1 PRO   4 HB2    0.02   0.03   0.09  -0.04   2.28     2.38
3ktiL1 PRO   4 HB3    0.02   0.02   0.09  -0.04   2.02     2.10
3ktiL1 PRO   4 HG2    0.02   0.01   0.08  -0.04   2.03     2.09
3ktiL1 PRO   4 HG3    0.02   0.01   0.06  -0.04   2.03     2.07
3ktiL1 PRO   4 HD2    0.03   0.06   0.15  -0.04   3.68     3.88
3ktiL1 PRO   4 HD3    0.02   0.12   0.36  -0.04   3.65     4.11
3ktiL1 ALA   6 HA     0.04  -0.07   0.05  -0.75   4.34     3.60
3ktiL1 ALA   6 HB3    0.05   0.00   0.07  -0.04   1.41     1.50