Content for NMR-STAR saveframe, assigned_chemical_shifts_1
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 53456
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'assigned chem shift list'
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err 0.02
_Assigned_chem_shift_list.Chem_shift_13C_err 0.02
_Assigned_chem_shift_list.Chem_shift_15N_err 0.02
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method 'From dispersion of values in the homonuclear and heteronuclear spectra'
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-1H NOESY' . . . 53456 1
2 '2D 1H-13C HSQC/HMQC' . . . 53456 1
3 '2D 1H-15N HSQC/HMQC' . . . 53456 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 53456 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 1 1 SER HA H 1 3.747 0.004 . 1 . . 1535 . . 1 SER HA . 53456 1
2 . 1 . 1 1 1 SER HB2 H 1 3.618 0.001 . 2 . . 1537 . . 1 SER HB2 . 53456 1
3 . 1 . 1 1 1 SER HB3 H 1 3.536 0.001 . 2 . . 1539 . . 1 SER HB3 . 53456 1
4 . 1 . 1 1 1 SER CB C 13 65.220 0.002 . 1 . . 1538 . . 1 SER CB . 53456 1
5 . 1 . 1 2 2 ALA H H 1 8.132 0.0 . 1 . . 1544 . . 2 ALA H . 53456 1
6 . 1 . 1 2 2 ALA HA H 1 4.262 0.001 . 1 . . 1540 . . 2 ALA HA . 53456 1
7 . 1 . 1 2 2 ALA HB1 H 1 1.381 0.001 . 1 . . 1542 . . 2 ALA HB1 . 53456 1
8 . 1 . 1 2 2 ALA HB2 H 1 1.381 0.001 . 1 . . 1542 . . 2 ALA HB2 . 53456 1
9 . 1 . 1 2 2 ALA HB3 H 1 1.381 0.001 . 1 . . 1542 . . 2 ALA HB3 . 53456 1
10 . 1 . 1 2 2 ALA CA C 13 54.768 . . 1 . . 1541 . . 2 ALA CA . 53456 1
11 . 1 . 1 2 2 ALA CB C 13 18.673 . . 1 . . 1543 . . 2 ALA CB . 53456 1
12 . 1 . 1 3 3 LEU HA H 1 3.989 0.002 . 1 . . 2003 . . 3 LEU HA . 53456 1
13 . 1 . 1 3 3 LEU HD11 H 1 0.885 0.003 . 2 . . 2005 . . 3 LEU HD11 . 53456 1
14 . 1 . 1 3 3 LEU HD12 H 1 0.885 0.003 . 2 . . 2005 . . 3 LEU HD12 . 53456 1
15 . 1 . 1 3 3 LEU HD13 H 1 0.885 0.003 . 2 . . 2005 . . 3 LEU HD13 . 53456 1
16 . 1 . 1 3 3 LEU HD21 H 1 0.853 0.002 . 2 . . 2006 . . 3 LEU HD21 . 53456 1
17 . 1 . 1 3 3 LEU HD22 H 1 0.853 0.002 . 2 . . 2006 . . 3 LEU HD22 . 53456 1
18 . 1 . 1 3 3 LEU HD23 H 1 0.853 0.002 . 2 . . 2006 . . 3 LEU HD23 . 53456 1
19 . 1 . 1 3 3 LEU CA C 13 58.150 . . 1 . . 2002 . . 3 LEU CA . 53456 1
20 . 1 . 1 3 3 LEU CD1 C 13 23.177 . . 2 . . 2004 . . 3 LEU CD1 . 53456 1
21 . 1 . 1 3 3 LEU CD2 C 13 25.437 . . 2 . . 2007 . . 3 LEU CD2 . 53456 1
22 . 1 . 1 4 4 GLN H H 1 7.647 0.001 . 1 . . 1910 . . 4 GLN H . 53456 1
23 . 1 . 1 4 4 GLN HA H 1 3.914 0.0 . 1 . . 1710 . . 4 GLN HA . 53456 1
24 . 1 . 1 4 4 GLN HB2 H 1 2.100 0.001 . 1 . . 1708 . . 4 GLN HB2 . 53456 1
25 . 1 . 1 4 4 GLN HG2 H 1 2.386 0.0 . 1 . . 1706 . . 4 GLN HG2 . 53456 1
26 . 1 . 1 4 4 GLN CA C 13 59.088 . . 1 . . 1711 . . 4 GLN CA . 53456 1
27 . 1 . 1 4 4 GLN CB C 13 28.307 . . 1 . . 1709 . . 4 GLN CB . 53456 1
28 . 1 . 1 4 4 GLN CG C 13 33.851 . . 1 . . 3174 . . 4 GLN CG . 53456 1
29 . 1 . 1 4 4 GLN N N 15 117.006 . . 1 . . 2789 . . 4 GLN N . 53456 1
30 . 1 . 1 5 5 ASP H H 1 8.131 0.001 . 1 . . 1705 . . 5 ASP H . 53456 1
31 . 1 . 1 5 5 ASP HA H 1 4.363 0.0 . 1 . . 1768 . . 5 ASP HA . 53456 1
32 . 1 . 1 5 5 ASP HB2 H 1 2.618 0.001 . 2 . . 1699 . . 5 ASP HB2 . 53456 1
33 . 1 . 1 5 5 ASP HB3 H 1 2.819 0.001 . 2 . . 1704 . . 5 ASP HB3 . 53456 1
34 . 1 . 1 5 5 ASP CA C 13 57.306 . . 1 . . 1703 . . 5 ASP CA . 53456 1
35 . 1 . 1 5 5 ASP CB C 13 39.995 0.002 . 1 . . 1700 . . 5 ASP CB . 53456 1
36 . 1 . 1 5 5 ASP N N 15 120.494 . . 1 . . 2790 . . 5 ASP N . 53456 1
37 . 1 . 1 6 6 LEU H H 1 8.449 0.001 . 1 . . 1769 . . 6 LEU H . 53456 1
38 . 1 . 1 6 6 LEU HA H 1 3.949 0.0 . 1 . . 1931 . . 6 LEU HA . 53456 1
39 . 1 . 1 6 6 LEU HB2 H 1 1.860 0.0 . 2 . . 1771 . . 6 LEU HB2 . 53456 1
40 . 1 . 1 6 6 LEU HB3 H 1 1.860 0.0 . 2 . . 1773 . . 6 LEU HB3 . 53456 1
41 . 1 . 1 6 6 LEU HG H 1 1.591 0.001 . 1 . . 1775 . . 6 LEU HG . 53456 1
42 . 1 . 1 6 6 LEU HD11 H 1 0.721 0.0 . 2 . . 1898 . . 6 LEU HD11 . 53456 1
43 . 1 . 1 6 6 LEU HD12 H 1 0.721 0.0 . 2 . . 1898 . . 6 LEU HD12 . 53456 1
44 . 1 . 1 6 6 LEU HD13 H 1 0.721 0.0 . 2 . . 1898 . . 6 LEU HD13 . 53456 1
45 . 1 . 1 6 6 LEU HD21 H 1 0.824 0.0 . 2 . . 1899 . . 6 LEU HD21 . 53456 1
46 . 1 . 1 6 6 LEU HD22 H 1 0.824 0.0 . 2 . . 1899 . . 6 LEU HD22 . 53456 1
47 . 1 . 1 6 6 LEU HD23 H 1 0.824 0.0 . 2 . . 1899 . . 6 LEU HD23 . 53456 1
48 . 1 . 1 6 6 LEU CA C 13 58.408 . . 1 . . 1932 . . 6 LEU CA . 53456 1
49 . 1 . 1 6 6 LEU CB C 13 41.443 . . 1 . . 1774 . . 6 LEU CB . 53456 1
50 . 1 . 1 6 6 LEU CG C 13 27.127 . . 1 . . 1776 . . 6 LEU CG . 53456 1
51 . 1 . 1 6 6 LEU CD1 C 13 26.308 . . 2 . . 1897 . . 6 LEU CD1 . 53456 1
52 . 1 . 1 6 6 LEU CD2 C 13 24.912 . . 2 . . 1778 . . 6 LEU CD2 . 53456 1
53 . 1 . 1 6 6 LEU N N 15 123.445 . . 1 . . 2808 . . 6 LEU N . 53456 1
54 . 1 . 1 7 7 LEU H H 1 8.437 0.0 . 1 . . 2895 . . 7 LEU H . 53456 1
55 . 1 . 1 7 7 LEU HA H 1 3.927 0.0 . 1 . . 1779 . . 7 LEU HA . 53456 1
56 . 1 . 1 7 7 LEU HB2 H 1 1.525 0.0 . 1 . . 1907 . . 7 LEU HB2 . 53456 1
57 . 1 . 1 7 7 LEU HG H 1 1.862 0.0 . 1 . . 1908 . . 7 LEU HG . 53456 1
58 . 1 . 1 7 7 LEU HD11 H 1 0.797 0.001 . 1 . . 1904 . . 7 LEU HD11 . 53456 1
59 . 1 . 1 7 7 LEU HD12 H 1 0.797 0.001 . 1 . . 1904 . . 7 LEU HD12 . 53456 1
60 . 1 . 1 7 7 LEU HD13 H 1 0.797 0.001 . 1 . . 1904 . . 7 LEU HD13 . 53456 1
61 . 1 . 1 7 7 LEU CA C 13 58.253 . . 1 . . 1780 . . 7 LEU CA . 53456 1
62 . 1 . 1 7 7 LEU CB C 13 41.086 . . 1 . . 1909 . . 7 LEU CB . 53456 1
63 . 1 . 1 7 7 LEU CG C 13 26.872 . . 1 . . 1901 . . 7 LEU CG . 53456 1
64 . 1 . 1 7 7 LEU CD1 C 13 23.776 . . 1 . . 1906 . . 7 LEU CD1 . 53456 1
65 . 1 . 1 7 7 LEU N N 15 118.707 . . 1 . . 2896 . . 7 LEU N . 53456 1
66 . 1 . 1 8 8 ARG H H 1 8.055 0.0 . 1 . . 1671 . . 8 ARG H . 53456 1
67 . 1 . 1 8 8 ARG HA H 1 3.980 0.0 . 1 . . 1667 . . 8 ARG HA . 53456 1
68 . 1 . 1 8 8 ARG HB2 H 1 1.934 0.002 . 1 . . 1669 . . 8 ARG HB2 . 53456 1
69 . 1 . 1 8 8 ARG HG2 H 1 1.576 0.0 . 2 . . 1662 . . 8 ARG HG2 . 53456 1
70 . 1 . 1 8 8 ARG HG3 H 1 1.736 0.0 . 2 . . 1664 . . 8 ARG HG3 . 53456 1
71 . 1 . 1 8 8 ARG HD2 H 1 3.216 0.0 . 1 . . 1665 . . 8 ARG HD2 . 53456 1
72 . 1 . 1 8 8 ARG CA C 13 59.371 . . 1 . . 1668 . . 8 ARG CA . 53456 1
73 . 1 . 1 8 8 ARG CB C 13 30.133 . . 1 . . 1670 . . 8 ARG CB . 53456 1
74 . 1 . 1 8 8 ARG CG C 13 27.789 . . 1 . . 1663 . . 8 ARG CG . 53456 1
75 . 1 . 1 8 8 ARG CD C 13 43.266 . . 1 . . 1666 . . 8 ARG CD . 53456 1
76 . 1 . 1 8 8 ARG N N 15 118.158 . . 1 . . 2791 . . 8 ARG N . 53456 1
77 . 1 . 1 9 9 THR H H 1 7.895 0.0 . 1 . . 1661 . . 9 THR H . 53456 1
78 . 1 . 1 9 9 THR HA H 1 3.982 0.001 . 1 . . 1657 . . 9 THR HA . 53456 1
79 . 1 . 1 9 9 THR HB H 1 4.234 0.0 . 1 . . 1655 . . 9 THR HB . 53456 1
80 . 1 . 1 9 9 THR HG21 H 1 1.219 0.0 . 1 . . 1659 . . 9 THR HG21 . 53456 1
81 . 1 . 1 9 9 THR HG22 H 1 1.219 0.0 . 1 . . 1659 . . 9 THR HG22 . 53456 1
82 . 1 . 1 9 9 THR HG23 H 1 1.219 0.0 . 1 . . 1659 . . 9 THR HG23 . 53456 1
83 . 1 . 1 9 9 THR CA C 13 66.447 . . 1 . . 1658 . . 9 THR CA . 53456 1
84 . 1 . 1 9 9 THR CB C 13 68.563 . . 1 . . 1656 . . 9 THR CB . 53456 1
85 . 1 . 1 9 9 THR CG2 C 13 22.835 . . 1 . . 1660 . . 9 THR CG2 . 53456 1
86 . 1 . 1 9 9 THR N N 15 116.427 . . 1 . . 2788 . . 9 THR N . 53456 1
87 . 1 . 1 10 10 LEU H H 1 8.272 0.001 . 1 . . 1681 . . 10 LEU H . 53456 1
88 . 1 . 1 10 10 LEU HA H 1 3.984 0.002 . 1 . . 1672 . . 10 LEU HA . 53456 1
89 . 1 . 1 10 10 LEU HB2 H 1 1.533 0.0 . 2 . . 1678 . . 10 LEU HB2 . 53456 1
90 . 1 . 1 10 10 LEU HB3 H 1 1.630 0.0 . 2 . . 1896 . . 10 LEU HB3 . 53456 1
91 . 1 . 1 10 10 LEU HG H 1 1.838 0.0 . 1 . . 1680 . . 10 LEU HG . 53456 1
92 . 1 . 1 10 10 LEU HD11 H 1 0.816 0.0 . 2 . . 1674 . . 10 LEU HD11 . 53456 1
93 . 1 . 1 10 10 LEU HD12 H 1 0.816 0.0 . 2 . . 1674 . . 10 LEU HD12 . 53456 1
94 . 1 . 1 10 10 LEU HD13 H 1 0.816 0.0 . 2 . . 1674 . . 10 LEU HD13 . 53456 1
95 . 1 . 1 10 10 LEU HD21 H 1 0.816 0.0 . 2 . . 1676 . . 10 LEU HD21 . 53456 1
96 . 1 . 1 10 10 LEU HD22 H 1 0.816 0.0 . 2 . . 1676 . . 10 LEU HD22 . 53456 1
97 . 1 . 1 10 10 LEU HD23 H 1 0.816 0.0 . 2 . . 1676 . . 10 LEU HD23 . 53456 1
98 . 1 . 1 10 10 LEU CA C 13 56.957 . . 1 . . 1673 . . 10 LEU CA . 53456 1
99 . 1 . 1 10 10 LEU CB C 13 41.438 0.001 . 1 . . 1679 . . 10 LEU CB . 53456 1
100 . 1 . 1 10 10 LEU CG C 13 26.728 . . 1 . . 1895 . . 10 LEU CG . 53456 1
101 . 1 . 1 10 10 LEU CD1 C 13 26.132 . . 2 . . 1675 . . 10 LEU CD1 . 53456 1
102 . 1 . 1 10 10 LEU CD2 C 13 23.603 . . 2 . . 1677 . . 10 LEU CD2 . 53456 1
103 . 1 . 1 10 10 LEU N N 15 121.669 . . 1 . . 2805 . . 10 LEU N . 53456 1
104 . 1 . 1 11 11 LYS H H 1 7.406 0.0 . 1 . . 1783 . . 11 LYS H . 53456 1
105 . 1 . 1 11 11 LYS HA H 1 4.270 0.001 . 1 . . 1682 . . 11 LYS HA . 53456 1
106 . 1 . 1 11 11 LYS HB2 H 1 1.813 0.0 . 2 . . 1790 . . 11 LYS HB2 . 53456 1
107 . 1 . 1 11 11 LYS HB3 H 1 1.947 0.001 . 2 . . 1791 . . 11 LYS HB3 . 53456 1
108 . 1 . 1 11 11 LYS HG2 H 1 1.576 0.0 . 2 . . 1794 . . 11 LYS HG2 . 53456 1
109 . 1 . 1 11 11 LYS HG3 H 1 1.471 0.0 . 2 . . 1795 . . 11 LYS HG3 . 53456 1
110 . 1 . 1 11 11 LYS HD2 H 1 1.644 0.0 . 1 . . 1967 . . 11 LYS HD2 . 53456 1
111 . 1 . 1 11 11 LYS HE2 H 1 2.924 0.0 . 1 . . 1784 . . 11 LYS HE2 . 53456 1
112 . 1 . 1 11 11 LYS CA C 13 56.585 . . 1 . . 1683 . . 11 LYS CA . 53456 1
113 . 1 . 1 11 11 LYS CB C 13 32.785 0.0 . 1 . . 1789 . . 11 LYS CB . 53456 1
114 . 1 . 1 11 11 LYS CG C 13 25.219 0.002 . 1 . . 1797 . . 11 LYS CG . 53456 1
115 . 1 . 1 11 11 LYS CD C 13 29.434 . . 1 . . 1968 . . 11 LYS CD . 53456 1
116 . 1 . 1 11 11 LYS CE C 13 41.829 . . 1 . . 1785 . . 11 LYS CE . 53456 1
117 . 1 . 1 11 11 LYS N N 15 116.946 . . 1 . . 2792 . . 11 LYS N . 53456 1
118 . 1 . 1 12 12 SER H H 1 7.479 . . 1 . . 1826 . . 12 SER H . 53456 1
119 . 1 . 1 12 12 SER HA H 1 4.668 . . 1 . . 1823 . . 12 SER HA . 53456 1
120 . 1 . 1 12 12 SER HB2 H 1 3.975 0.001 . 1 . . 1824 . . 12 SER HB2 . 53456 1
121 . 1 . 1 12 12 SER CB C 13 62.836 . . 1 . . 1825 . . 12 SER CB . 53456 1
122 . 1 . 1 13 13 FP9 HA H 1 4.533 0.001 . 1 . . 1584 . . 13 PRO HA . 53456 1
123 . 1 . 1 13 13 FP9 HB2 H 1 2.649 0.001 . 2 . . 1589 . . 13 PRO HB2 . 53456 1
124 . 1 . 1 13 13 FP9 HB3 H 1 2.072 0.0 . 2 . . 1590 . . 13 PRO HB3 . 53456 1
125 . 1 . 1 13 13 FP9 HG2 H 1 5.507 0.0 . 1 . . 1586 . . 13 PRO HG2 . 53456 1
126 . 1 . 1 13 13 FP9 HD2 H 1 4.198 0.003 . 2 . . 1587 . . 13 PRO HD2 . 53456 1
127 . 1 . 1 13 13 FP9 HD3 H 1 3.925 0.006 . 2 . . 1588 . . 13 PRO HD3 . 53456 1
128 . 1 . 1 13 13 FP9 CA C 13 61.781 . . 1 . . 1585 . . 13 PRO CA . 53456 1
129 . 1 . 1 14 14 SER HA H 1 4.339 0.001 . 1 . . 1684 . . 14 SER HA . 53456 1
130 . 1 . 1 14 14 SER HB2 H 1 3.813 0.001 . 2 . . 1686 . . 14 SER HB2 . 53456 1
131 . 1 . 1 14 14 SER HB3 H 1 3.874 0.001 . 2 . . 1688 . . 14 SER HB3 . 53456 1
132 . 1 . 1 14 14 SER CA C 13 58.943 . . 1 . . 1685 . . 14 SER CA . 53456 1
133 . 1 . 1 14 14 SER CB C 13 63.379 0.002 . 1 . . 1687 . . 14 SER CB . 53456 1
134 . 1 . 1 15 15 SER H H 1 7.835 . . 1 . . 1609 . . 15 SER H . 53456 1
135 . 1 . 1 15 15 SER HA H 1 4.868 0.0 . 1 . . 2422 . . 15 SER HA . 53456 1
136 . 1 . 1 15 15 SER HB2 H 1 4.213 0.001 . 2 . . 1605 . . 15 SER HB2 . 53456 1
137 . 1 . 1 15 15 SER HB3 H 1 4.052 0.0 . 2 . . 2423 . . 15 SER HB3 . 53456 1
138 . 1 . 1 15 15 SER CA C 13 56.920 . . 1 . . 1604 . . 15 SER CA . 53456 1
139 . 1 . 1 15 15 SER CB C 13 63.319 0.002 . 1 . . 1608 . . 15 SER CB . 53456 1
140 . 1 . 1 15 15 SER N N 15 119.525 . . 1 . . 2819 . . 15 SER N . 53456 1
141 . 1 . 1 16 16 PRO HA H 1 4.348 0.0 . 1 . . 2430 . . 16 PRO HA . 53456 1
142 . 1 . 1 16 16 PRO HB2 H 1 2.426 0.001 . 2 . . 2438 . . 16 PRO HB2 . 53456 1
143 . 1 . 1 16 16 PRO HB3 H 1 2.183 0.001 . 2 . . 2439 . . 16 PRO HB3 . 53456 1
144 . 1 . 1 16 16 PRO HG2 H 1 2.021 0.0 . 2 . . 2435 . . 16 PRO HG2 . 53456 1
145 . 1 . 1 16 16 PRO HG3 H 1 1.924 0.001 . 2 . . 2436 . . 16 PRO HG3 . 53456 1
146 . 1 . 1 16 16 PRO HD2 H 1 3.889 0.001 . 1 . . 2431 . . 16 PRO HD2 . 53456 1
147 . 1 . 1 16 16 PRO CA C 13 65.586 . . 1 . . 1690 . . 16 PRO CA . 53456 1
148 . 1 . 1 16 16 PRO CB C 13 31.840 . . 1 . . 1694 . . 16 PRO CB . 53456 1
149 . 1 . 1 16 16 PRO CD C 13 50.595 . . 1 . . 1692 . . 16 PRO CD . 53456 1
150 . 1 . 1 17 17 GLN H H 1 7.949 0.0 . 1 . . 2897 . . 17 GLN H . 53456 1
151 . 1 . 1 17 17 GLN HA H 1 4.081 0.0 . 1 . . 1854 . . 17 GLN HA . 53456 1
152 . 1 . 1 17 17 GLN HB2 H 1 2.085 0.0 . 2 . . 1852 . . 17 GLN HB2 . 53456 1
153 . 1 . 1 17 17 GLN HB3 H 1 1.994 0.0 . 2 . . 1857 . . 17 GLN HB3 . 53456 1
154 . 1 . 1 17 17 GLN HG2 H 1 2.476 0.001 . 2 . . 1855 . . 17 GLN HG2 . 53456 1
155 . 1 . 1 17 17 GLN HG3 H 1 2.383 0.0 . 2 . . 1856 . . 17 GLN HG3 . 53456 1
156 . 1 . 1 17 17 GLN CA C 13 59.265 . . 1 . . 1859 . . 17 GLN CA . 53456 1
157 . 1 . 1 17 17 GLN CB C 13 27.905 0.0 . 1 . . 1853 . . 17 GLN CB . 53456 1
158 . 1 . 1 17 17 GLN CG C 13 34.193 . . 1 . . 1858 . . 17 GLN CG . 53456 1
159 . 1 . 1 18 18 GLN H H 1 7.986 0.0 . 1 . . 1860 . . 18 GLN H . 53456 1
160 . 1 . 1 18 18 GLN HA H 1 4.007 0.001 . 1 . . 1861 . . 18 GLN HA . 53456 1
161 . 1 . 1 18 18 GLN HB2 H 1 2.096 0.001 . 1 . . 1863 . . 18 GLN HB2 . 53456 1
162 . 1 . 1 18 18 GLN HG2 H 1 2.439 0.0 . 1 . . 1864 . . 18 GLN HG2 . 53456 1
163 . 1 . 1 18 18 GLN CA C 13 59.204 . . 1 . . 1866 . . 18 GLN CA . 53456 1
164 . 1 . 1 18 18 GLN CB C 13 27.968 . . 1 . . 1867 . . 18 GLN CB . 53456 1
165 . 1 . 1 18 18 GLN N N 15 123.273 . . 1 . . 2829 . . 18 GLN N . 53456 1
166 . 1 . 1 19 19 GLN H H 1 7.947 0.0 . 1 . . 1868 . . 19 GLN H . 53456 1
167 . 1 . 1 19 19 GLN HA H 1 4.100 0.002 . 1 . . 1869 . . 19 GLN HA . 53456 1
168 . 1 . 1 19 19 GLN CA C 13 59.063 . . 1 . . 1870 . . 19 GLN CA . 53456 1
169 . 1 . 1 20 20 GLN H H 1 7.945 0.0 . 1 . . 2898 . . 20 GLN H . 53456 1
170 . 1 . 1 20 20 GLN HA H 1 3.928 0.0 . 1 . . 2899 . . 20 GLN HA . 53456 1
171 . 1 . 1 20 20 GLN CA C 13 58.458 . . 1 . . 3175 . . 20 GLN CA . 53456 1
172 . 1 . 1 22 22 VAL H H 1 8.039 0.001 . 1 . . 1881 . . 22 VAL H . 53456 1
173 . 1 . 1 22 22 VAL HA H 1 3.342 0.0 . 1 . . 1879 . . 22 VAL HA . 53456 1
174 . 1 . 1 22 22 VAL HB H 1 2.166 0.0 . 1 . . 1875 . . 22 VAL HB . 53456 1
175 . 1 . 1 22 22 VAL HG11 H 1 0.951 0.0 . 2 . . 1871 . . 22 VAL HG11 . 53456 1
176 . 1 . 1 22 22 VAL HG12 H 1 0.951 0.0 . 2 . . 1871 . . 22 VAL HG12 . 53456 1
177 . 1 . 1 22 22 VAL HG13 H 1 0.951 0.0 . 2 . . 1871 . . 22 VAL HG13 . 53456 1
178 . 1 . 1 22 22 VAL HG21 H 1 0.650 0.001 . 2 . . 1872 . . 22 VAL HG21 . 53456 1
179 . 1 . 1 22 22 VAL HG22 H 1 0.650 0.001 . 2 . . 1872 . . 22 VAL HG22 . 53456 1
180 . 1 . 1 22 22 VAL HG23 H 1 0.650 0.001 . 2 . . 1872 . . 22 VAL HG23 . 53456 1
181 . 1 . 1 22 22 VAL CA C 13 67.280 . . 1 . . 1880 . . 22 VAL CA . 53456 1
182 . 1 . 1 22 22 VAL CB C 13 31.440 . . 1 . . 1876 . . 22 VAL CB . 53456 1
183 . 1 . 1 22 22 VAL CG1 C 13 23.474 . . 2 . . 1874 . . 22 VAL CG1 . 53456 1
184 . 1 . 1 22 22 VAL CG2 C 13 21.426 . . 2 . . 1873 . . 22 VAL CG2 . 53456 1
185 . 1 . 1 22 22 VAL N N 15 119.453 . . 1 . . 2804 . . 22 VAL N . 53456 1
186 . 1 . 1 23 23 LEU H H 1 7.950 0.0 . 1 . . 1882 . . 23 LEU H . 53456 1
187 . 1 . 1 23 23 LEU HA H 1 3.779 0.001 . 1 . . 1883 . . 23 LEU HA . 53456 1
188 . 1 . 1 23 23 LEU HB2 H 1 1.804 0.0 . 2 . . 1888 . . 23 LEU HB2 . 53456 1
189 . 1 . 1 23 23 LEU HB3 H 1 1.734 0.0 . 2 . . 1889 . . 23 LEU HB3 . 53456 1
190 . 1 . 1 23 23 LEU HG H 1 1.513 0.0 . 1 . . 1885 . . 23 LEU HG . 53456 1
191 . 1 . 1 23 23 LEU HD11 H 1 0.780 0.0 . 2 . . 1891 . . 23 LEU HD11 . 53456 1
192 . 1 . 1 23 23 LEU HD12 H 1 0.780 0.0 . 2 . . 1891 . . 23 LEU HD12 . 53456 1
193 . 1 . 1 23 23 LEU HD13 H 1 0.780 0.0 . 2 . . 1891 . . 23 LEU HD13 . 53456 1
194 . 1 . 1 23 23 LEU HD21 H 1 0.829 0.0 . 2 . . 1893 . . 23 LEU HD21 . 53456 1
195 . 1 . 1 23 23 LEU HD22 H 1 0.829 0.0 . 2 . . 1893 . . 23 LEU HD22 . 53456 1
196 . 1 . 1 23 23 LEU HD23 H 1 0.829 0.0 . 2 . . 1893 . . 23 LEU HD23 . 53456 1
197 . 1 . 1 23 23 LEU CA C 13 58.332 . . 1 . . 1884 . . 23 LEU CA . 53456 1
198 . 1 . 1 23 23 LEU CB C 13 41.069 . . 1 . . 1886 . . 23 LEU CB . 53456 1
199 . 1 . 1 23 23 LEU CG C 13 27.010 . . 1 . . 1890 . . 23 LEU CG . 53456 1
200 . 1 . 1 23 23 LEU CD1 C 13 24.498 . . 2 . . 1892 . . 23 LEU CD1 . 53456 1
201 . 1 . 1 23 23 LEU CD2 C 13 25.256 . . 2 . . 1894 . . 23 LEU CD2 . 53456 1
202 . 1 . 1 23 23 LEU N N 15 119.369 . . 1 . . 2803 . . 23 LEU N . 53456 1
203 . 1 . 1 24 24 ASN H H 1 8.286 0.001 . 1 . . 1620 . . 24 ASN H . 53456 1
204 . 1 . 1 24 24 ASN HA H 1 4.389 0.002 . 1 . . 1615 . . 24 ASN HA . 53456 1
205 . 1 . 1 24 24 ASN HB2 H 1 2.825 0.001 . 2 . . 1616 . . 24 ASN HB2 . 53456 1
206 . 1 . 1 24 24 ASN HB3 H 1 2.913 0.0 . 2 . . 1617 . . 24 ASN HB3 . 53456 1
207 . 1 . 1 24 24 ASN CA C 13 55.966 . . 1 . . 1619 . . 24 ASN CA . 53456 1
208 . 1 . 1 24 24 ASN CB C 13 37.919 0.002 . 1 . . 1618 . . 24 ASN CB . 53456 1
209 . 1 . 1 24 24 ASN N N 15 117.439 . . 1 . . 2802 . . 24 ASN N . 53456 1
210 . 1 . 1 25 25 ILE H H 1 8.029 0.0 . 1 . . 1621 . . 25 ILE H . 53456 1
211 . 1 . 1 25 25 ILE HA H 1 3.713 0.002 . 1 . . 1622 . . 25 ILE HA . 53456 1
212 . 1 . 1 25 25 ILE HB H 1 1.864 0.004 . 1 . . 1631 . . 25 ILE HB . 53456 1
213 . 1 . 1 25 25 ILE HG12 H 1 1.865 0.003 . 2 . . 1626 . . 25 ILE HG12 . 53456 1
214 . 1 . 1 25 25 ILE HG13 H 1 1.030 0.003 . 2 . . 1627 . . 25 ILE HG13 . 53456 1
215 . 1 . 1 25 25 ILE HG21 H 1 0.823 0.003 . 1 . . 1629 . . 25 ILE HG21 . 53456 1
216 . 1 . 1 25 25 ILE HG22 H 1 0.823 0.003 . 1 . . 1629 . . 25 ILE HG22 . 53456 1
217 . 1 . 1 25 25 ILE HG23 H 1 0.823 0.003 . 1 . . 1629 . . 25 ILE HG23 . 53456 1
218 . 1 . 1 25 25 ILE HD11 H 1 0.731 0.002 . 1 . . 1624 . . 25 ILE HD11 . 53456 1
219 . 1 . 1 25 25 ILE HD12 H 1 0.731 0.002 . 1 . . 1624 . . 25 ILE HD12 . 53456 1
220 . 1 . 1 25 25 ILE HD13 H 1 0.731 0.002 . 1 . . 1624 . . 25 ILE HD13 . 53456 1
221 . 1 . 1 25 25 ILE CA C 13 65.362 . . 1 . . 1623 . . 25 ILE CA . 53456 1
222 . 1 . 1 25 25 ILE CB C 13 38.238 . . 1 . . 1632 . . 25 ILE CB . 53456 1
223 . 1 . 1 25 25 ILE CG1 C 13 29.013 0.001 . 1 . . 1628 . . 25 ILE CG1 . 53456 1
224 . 1 . 1 25 25 ILE CG2 C 13 17.977 . . 1 . . 1630 . . 25 ILE CG2 . 53456 1
225 . 1 . 1 25 25 ILE CD1 C 13 13.919 . . 1 . . 1625 . . 25 ILE CD1 . 53456 1
226 . 1 . 1 25 25 ILE N N 15 122.223 . . 1 . . 2801 . . 25 ILE N . 53456 1
227 . 1 . 1 26 26 LEU H H 1 8.110 0.001 . 1 . . 1633 . . 26 LEU H . 53456 1
228 . 1 . 1 26 26 LEU HA H 1 3.875 0.001 . 1 . . 2427 . . 26 LEU HA . 53456 1
229 . 1 . 1 26 26 LEU HB2 H 1 1.451 0.002 . 2 . . 1638 . . 26 LEU HB2 . 53456 1
230 . 1 . 1 26 26 LEU HB3 H 1 1.817 0.0 . 2 . . 1640 . . 26 LEU HB3 . 53456 1
231 . 1 . 1 26 26 LEU HG H 1 1.210 0.001 . 1 . . 1944 . . 26 LEU HG . 53456 1
232 . 1 . 1 26 26 LEU HD11 H 1 0.542 0.002 . 2 . . 1634 . . 26 LEU HD11 . 53456 1
233 . 1 . 1 26 26 LEU HD12 H 1 0.542 0.002 . 2 . . 1634 . . 26 LEU HD12 . 53456 1
234 . 1 . 1 26 26 LEU HD13 H 1 0.542 0.002 . 2 . . 1634 . . 26 LEU HD13 . 53456 1
235 . 1 . 1 26 26 LEU HD21 H 1 0.482 0.001 . 2 . . 1635 . . 26 LEU HD21 . 53456 1
236 . 1 . 1 26 26 LEU HD22 H 1 0.482 0.001 . 2 . . 1635 . . 26 LEU HD22 . 53456 1
237 . 1 . 1 26 26 LEU HD23 H 1 0.482 0.001 . 2 . . 1635 . . 26 LEU HD23 . 53456 1
238 . 1 . 1 26 26 LEU CA C 13 57.702 . . 1 . . 1641 . . 26 LEU CA . 53456 1
239 . 1 . 1 26 26 LEU CB C 13 41.039 0.001 . 1 . . 1639 . . 26 LEU CB . 53456 1
240 . 1 . 1 26 26 LEU CD1 C 13 22.160 . . 2 . . 1636 . . 26 LEU CD1 . 53456 1
241 . 1 . 1 26 26 LEU CD2 C 13 25.696 . . 2 . . 1637 . . 26 LEU CD2 . 53456 1
242 . 1 . 1 26 26 LEU N N 15 119.222 . . 1 . . 2799 . . 26 LEU N . 53456 1
243 . 1 . 1 27 27 LYS H H 1 8.333 0.0 . 1 . . 1654 . . 27 LYS H . 53456 1
244 . 1 . 1 27 27 LYS HA H 1 3.907 0.0 . 1 . . 1644 . . 27 LYS HA . 53456 1
245 . 1 . 1 27 27 LYS HB2 H 1 1.865 0.0 . 1 . . 1648 . . 27 LYS HB2 . 53456 1
246 . 1 . 1 27 27 LYS HG2 H 1 1.461 0.0 . 1 . . 1652 . . 27 LYS HG2 . 53456 1
247 . 1 . 1 27 27 LYS HD2 H 1 1.634 0.0 . 1 . . 1646 . . 27 LYS HD2 . 53456 1
248 . 1 . 1 27 27 LYS HE2 H 1 2.928 0.001 . 1 . . 1650 . . 27 LYS HE2 . 53456 1
249 . 1 . 1 27 27 LYS CA C 13 58.873 . . 1 . . 1645 . . 27 LYS CA . 53456 1
250 . 1 . 1 27 27 LYS CB C 13 32.677 . . 1 . . 1649 . . 27 LYS CB . 53456 1
251 . 1 . 1 27 27 LYS CG C 13 25.096 . . 1 . . 1653 . . 27 LYS CG . 53456 1
252 . 1 . 1 27 27 LYS CD C 13 29.435 . . 1 . . 1647 . . 27 LYS CD . 53456 1
253 . 1 . 1 27 27 LYS CE C 13 41.818 . . 1 . . 1651 . . 27 LYS CE . 53456 1
254 . 1 . 1 28 28 SER H H 1 7.470 0.0 . 1 . . 1614 . . 28 SER H . 53456 1
255 . 1 . 1 28 28 SER HA H 1 4.415 0.002 . 1 . . 1612 . . 28 SER HA . 53456 1
256 . 1 . 1 28 28 SER HB2 H 1 3.948 0.001 . 1 . . 1610 . . 28 SER HB2 . 53456 1
257 . 1 . 1 28 28 SER CA C 13 59.540 . . 1 . . 1613 . . 28 SER CA . 53456 1
258 . 1 . 1 28 28 SER CB C 13 64.176 . . 1 . . 1611 . . 28 SER CB . 53456 1
259 . 1 . 1 29 29 ASN H H 1 7.488 0.002 . 1 . . 1597 . . 29 ASN H . 53456 1
260 . 1 . 1 29 29 ASN HA H 1 5.251 0.0 . 1 . . 1591 . . 29 ASN HA . 53456 1
261 . 1 . 1 29 29 ASN HB2 H 1 2.708 0.0 . 2 . . 1594 . . 29 ASN HB2 . 53456 1
262 . 1 . 1 29 29 ASN HB3 H 1 2.604 0.002 . 2 . . 1596 . . 29 ASN HB3 . 53456 1
263 . 1 . 1 29 29 ASN CA C 13 51.515 . . 1 . . 1593 . . 29 ASN CA . 53456 1
264 . 1 . 1 29 29 ASN CB C 13 40.384 0.001 . 1 . . 1595 . . 29 ASN CB . 53456 1
265 . 1 . 1 29 29 ASN N N 15 116.659 . . 1 . . 2815 . . 29 ASN N . 53456 1
266 . 1 . 1 30 30 PRO HA H 1 4.421 0.001 . 1 . . 1835 . . 30 PRO HA . 53456 1
267 . 1 . 1 30 30 PRO HB2 H 1 2.410 0.0 . 2 . . 1830 . . 30 PRO HB2 . 53456 1
268 . 1 . 1 30 30 PRO HB3 H 1 1.985 0.0 . 2 . . 1832 . . 30 PRO HB3 . 53456 1
269 . 1 . 1 30 30 PRO HG2 H 1 2.061 0.001 . 1 . . 1833 . . 30 PRO HG2 . 53456 1
270 . 1 . 1 30 30 PRO HD2 H 1 3.790 0.0 . 2 . . 1828 . . 30 PRO HD2 . 53456 1
271 . 1 . 1 30 30 PRO HD3 H 1 3.502 0.0 . 2 . . 1829 . . 30 PRO HD3 . 53456 1
272 . 1 . 1 30 30 PRO CA C 13 65.343 . . 1 . . 3177 . . 30 PRO CA . 53456 1
273 . 1 . 1 30 30 PRO CB C 13 32.049 0.0 . 1 . . 1831 . . 30 PRO CB . 53456 1
274 . 1 . 1 30 30 PRO CG C 13 27.424 . . 1 . . 1834 . . 30 PRO CG . 53456 1
275 . 1 . 1 30 30 PRO CD C 13 50.437 0.001 . 1 . . 1827 . . 30 PRO CD . 53456 1
276 . 1 . 1 31 31 GLN H H 1 8.822 . . 1 . . 2900 . . 31 GLN H . 53456 1
277 . 1 . 1 31 31 GLN HA H 1 4.232 0.002 . 1 . . 1836 . . 31 GLN HA . 53456 1
278 . 1 . 1 31 31 GLN HB2 H 1 2.122 0.0 . 1 . . 1842 . . 31 GLN HB2 . 53456 1
279 . 1 . 1 31 31 GLN HG2 H 1 2.373 0.0 . 2 . . 1839 . . 31 GLN HG2 . 53456 1
280 . 1 . 1 31 31 GLN HG3 H 1 2.513 0.0 . 2 . . 1840 . . 31 GLN HG3 . 53456 1
281 . 1 . 1 31 31 GLN CA C 13 58.567 . . 1 . . 1837 . . 31 GLN CA . 53456 1
282 . 1 . 1 31 31 GLN CB C 13 27.464 . . 1 . . 1841 . . 31 GLN CB . 53456 1
283 . 1 . 1 31 31 GLN CG C 13 33.884 0.003 . 1 . . 1838 . . 31 GLN CG . 53456 1
284 . 1 . 1 31 31 GLN N N 15 118.542 . . 1 . . 2901 . . 31 GLN N . 53456 1
285 . 1 . 1 32 32 LEU H H 1 7.778 0.0 . 1 . . 1920 . . 32 LEU H . 53456 1
286 . 1 . 1 32 32 LEU HA H 1 4.203 0.002 . 1 . . 1918 . . 32 LEU HA . 53456 1
287 . 1 . 1 32 32 LEU HB2 H 1 1.643 0.0 . 2 . . 1915 . . 32 LEU HB2 . 53456 1
288 . 1 . 1 32 32 LEU HB3 H 1 1.700 0.0 . 2 . . 1916 . . 32 LEU HB3 . 53456 1
289 . 1 . 1 32 32 LEU HG H 1 1.532 0.003 . 1 . . 1921 . . 32 LEU HG . 53456 1
290 . 1 . 1 32 32 LEU HD11 H 1 0.808 0.0 . 2 . . 1913 . . 32 LEU HD11 . 53456 1
291 . 1 . 1 32 32 LEU HD12 H 1 0.808 0.0 . 2 . . 1913 . . 32 LEU HD12 . 53456 1
292 . 1 . 1 32 32 LEU HD13 H 1 0.808 0.0 . 2 . . 1913 . . 32 LEU HD13 . 53456 1
293 . 1 . 1 32 32 LEU HD21 H 1 0.771 0.0 . 2 . . 1924 . . 32 LEU HD21 . 53456 1
294 . 1 . 1 32 32 LEU HD22 H 1 0.771 0.0 . 2 . . 1924 . . 32 LEU HD22 . 53456 1
295 . 1 . 1 32 32 LEU HD23 H 1 0.771 0.0 . 2 . . 1924 . . 32 LEU HD23 . 53456 1
296 . 1 . 1 32 32 LEU CA C 13 56.781 . . 1 . . 1919 . . 32 LEU CA . 53456 1
297 . 1 . 1 32 32 LEU CB C 13 41.819 0.001 . 1 . . 1917 . . 32 LEU CB . 53456 1
298 . 1 . 1 32 32 LEU CG C 13 27.179 . . 1 . . 1923 . . 32 LEU CG . 53456 1
299 . 1 . 1 32 32 LEU CD1 C 13 22.434 . . 2 . . 1914 . . 32 LEU CD1 . 53456 1
300 . 1 . 1 32 32 LEU CD2 C 13 24.134 . . 2 . . 1925 . . 32 LEU CD2 . 53456 1
301 . 1 . 1 32 32 LEU N N 15 121.750 . . 1 . . 2798 . . 32 LEU N . 53456 1
302 . 1 . 1 34 34 ALA H H 1 7.934 0.0 . 1 . . 1753 . . 34 ALA H . 53456 1
303 . 1 . 1 34 34 ALA HA H 1 4.013 0.001 . 1 . . 1749 . . 34 ALA HA . 53456 1
304 . 1 . 1 34 34 ALA HB1 H 1 1.451 0.003 . 1 . . 1751 . . 34 ALA HB1 . 53456 1
305 . 1 . 1 34 34 ALA HB2 H 1 1.451 0.003 . 1 . . 1751 . . 34 ALA HB2 . 53456 1
306 . 1 . 1 34 34 ALA HB3 H 1 1.451 0.003 . 1 . . 1751 . . 34 ALA HB3 . 53456 1
307 . 1 . 1 34 34 ALA CA C 13 54.986 . . 1 . . 1750 . . 34 ALA CA . 53456 1
308 . 1 . 1 34 34 ALA CB C 13 18.228 . . 1 . . 1752 . . 34 ALA CB . 53456 1
309 . 1 . 1 34 34 ALA N N 15 119.283 . . 1 . . 2797 . . 34 ALA N . 53456 1
310 . 1 . 1 35 35 ALA H H 1 7.541 0.0 . 1 . . 1757 . . 35 ALA H . 53456 1
311 . 1 . 1 35 35 ALA HA H 1 4.110 0.003 . 1 . . 1755 . . 35 ALA HA . 53456 1
312 . 1 . 1 35 35 ALA HB1 H 1 1.453 0.001 . 1 . . 1758 . . 35 ALA HB1 . 53456 1
313 . 1 . 1 35 35 ALA HB2 H 1 1.453 0.001 . 1 . . 1758 . . 35 ALA HB2 . 53456 1
314 . 1 . 1 35 35 ALA HB3 H 1 1.453 0.001 . 1 . . 1758 . . 35 ALA HB3 . 53456 1
315 . 1 . 1 35 35 ALA CA C 13 54.542 . . 1 . . 1756 . . 35 ALA CA . 53456 1
316 . 1 . 1 35 35 ALA CB C 13 18.128 . . 1 . . 1759 . . 35 ALA CB . 53456 1
317 . 1 . 1 35 35 ALA N N 15 119.572 . . 1 . . 2796 . . 35 ALA N . 53456 1
318 . 1 . 1 36 36 PHE H H 1 8.228 0.0 . 1 . . 1718 . . 36 PHE H . 53456 1
319 . 1 . 1 36 36 PHE HA H 1 4.234 0.001 . 1 . . 1714 . . 36 PHE HA . 53456 1
320 . 1 . 1 36 36 PHE HB2 H 1 3.113 0.001 . 2 . . 1716 . . 36 PHE HB2 . 53456 1
321 . 1 . 1 36 36 PHE HB3 H 1 3.039 0.001 . 2 . . 1719 . . 36 PHE HB3 . 53456 1
322 . 1 . 1 36 36 PHE HD1 H 1 7.043 0.002 . 1 . . 2424 . . 36 PHE HD1 . 53456 1
323 . 1 . 1 36 36 PHE HD2 H 1 7.043 0.002 . 1 . . 2424 . . 36 PHE HD2 . 53456 1
324 . 1 . 1 36 36 PHE CA C 13 60.257 . . 1 . . 1715 . . 36 PHE CA . 53456 1
325 . 1 . 1 36 36 PHE CB C 13 39.786 . . 1 . . 3178 . . 36 PHE CB . 53456 1
326 . 1 . 1 36 36 PHE N N 15 118.358 . . 1 . . 2818 . . 36 PHE N . 53456 1
327 . 1 . 1 37 37 ILE H H 1 8.167 0.001 . 1 . . 1730 . . 37 ILE H . 53456 1
328 . 1 . 1 37 37 ILE HA H 1 3.747 0.003 . 1 . . 1728 . . 37 ILE HA . 53456 1
329 . 1 . 1 37 37 ILE HB H 1 2.020 0.001 . 1 . . 1726 . . 37 ILE HB . 53456 1
330 . 1 . 1 37 37 ILE HG12 H 1 1.680 0.001 . 1 . . 1724 . . 37 ILE HG12 . 53456 1
331 . 1 . 1 37 37 ILE HG21 H 1 0.899 0.001 . 1 . . 1722 . . 37 ILE HG21 . 53456 1
332 . 1 . 1 37 37 ILE HG22 H 1 0.899 0.001 . 1 . . 1722 . . 37 ILE HG22 . 53456 1
333 . 1 . 1 37 37 ILE HG23 H 1 0.899 0.001 . 1 . . 1722 . . 37 ILE HG23 . 53456 1
334 . 1 . 1 37 37 ILE HD11 H 1 0.814 0.0 . 1 . . 2429 . . 37 ILE HD11 . 53456 1
335 . 1 . 1 37 37 ILE HD12 H 1 0.814 0.0 . 1 . . 2429 . . 37 ILE HD12 . 53456 1
336 . 1 . 1 37 37 ILE HD13 H 1 0.814 0.0 . 1 . . 2429 . . 37 ILE HD13 . 53456 1
337 . 1 . 1 37 37 ILE CA C 13 63.635 . . 1 . . 1729 . . 37 ILE CA . 53456 1
338 . 1 . 1 37 37 ILE CB C 13 37.985 . . 1 . . 1727 . . 37 ILE CB . 53456 1
339 . 1 . 1 37 37 ILE CG1 C 13 28.256 . . 1 . . 1725 . . 37 ILE CG1 . 53456 1
340 . 1 . 1 37 37 ILE CG2 C 13 17.822 . . 1 . . 1723 . . 37 ILE CG2 . 53456 1
341 . 1 . 1 37 37 ILE CD1 C 13 13.495 . . 1 . . 1721 . . 37 ILE CD1 . 53456 1
342 . 1 . 1 38 38 LYS H H 1 7.839 0.001 . 1 . . 1767 . . 38 LYS H . 53456 1
343 . 1 . 1 38 38 LYS HA H 1 4.096 0.0 . 1 . . 1741 . . 38 LYS HA . 53456 1
344 . 1 . 1 38 38 LYS HB2 H 1 1.856 0.0 . 1 . . 1731 . . 38 LYS HB2 . 53456 1
345 . 1 . 1 38 38 LYS HG2 H 1 1.439 0.0 . 1 . . 1743 . . 38 LYS HG2 . 53456 1
346 . 1 . 1 38 38 LYS HD2 H 1 1.656 0.0 . 1 . . 1735 . . 38 LYS HD2 . 53456 1
347 . 1 . 1 38 38 LYS HE2 H 1 2.919 0.0 . 1 . . 1733 . . 38 LYS HE2 . 53456 1
348 . 1 . 1 38 38 LYS CA C 13 58.066 . . 1 . . 1742 . . 38 LYS CA . 53456 1
349 . 1 . 1 38 38 LYS CB C 13 32.708 . . 1 . . 1732 . . 38 LYS CB . 53456 1
350 . 1 . 1 38 38 LYS CG C 13 25.096 . . 1 . . 1744 . . 38 LYS CG . 53456 1
351 . 1 . 1 38 38 LYS CD C 13 29.190 . . 1 . . 1736 . . 38 LYS CD . 53456 1
352 . 1 . 1 38 38 LYS CE C 13 41.840 . . 1 . . 1734 . . 38 LYS CE . 53456 1
353 . 1 . 1 38 38 LYS N N 15 121.495 . . 1 . . 2807 . . 38 LYS N . 53456 1
354 . 1 . 1 39 39 GLN H H 1 7.940 0.0 . 1 . . 1851 . . 39 GLN H . 53456 1
355 . 1 . 1 39 39 GLN HA H 1 4.164 0.001 . 1 . . 1843 . . 39 GLN HA . 53456 1
356 . 1 . 1 39 39 GLN HB2 H 1 2.041 0.001 . 1 . . 1847 . . 39 GLN HB2 . 53456 1
357 . 1 . 1 39 39 GLN HG2 H 1 2.329 0.001 . 2 . . 1845 . . 39 GLN HG2 . 53456 1
358 . 1 . 1 39 39 GLN HG3 H 1 2.391 0.0 . 2 . . 1846 . . 39 GLN HG3 . 53456 1
359 . 1 . 1 39 39 GLN CA C 13 56.545 . . 1 . . 1844 . . 39 GLN CA . 53456 1
360 . 1 . 1 39 39 GLN CB C 13 29.006 . . 1 . . 1848 . . 39 GLN CB . 53456 1
361 . 1 . 1 39 39 GLN CG C 13 33.904 . . 1 . . 1850 . . 39 GLN CG . 53456 1
362 . 1 . 1 39 39 GLN N N 15 118.015 . . 1 . . 2793 . . 39 GLN N . 53456 1
363 . 1 . 1 40 40 ARG HA H 1 4.238 0.0 . 1 . . 1977 . . 40 ARG HA . 53456 1
364 . 1 . 1 40 40 ARG HB2 H 1 1.730 0.001 . 2 . . 1978 . . 40 ARG HB2 . 53456 1
365 . 1 . 1 40 40 ARG HB3 H 1 1.586 0.001 . 2 . . 1979 . . 40 ARG HB3 . 53456 1
366 . 1 . 1 40 40 ARG HD2 H 1 2.931 0.0 . 1 . . 1975 . . 40 ARG HD2 . 53456 1
367 . 1 . 1 40 40 ARG CA C 13 56.338 . . 1 . . 1976 . . 40 ARG CA . 53456 1
368 . 1 . 1 40 40 ARG CB C 13 30.571 0.002 . 1 . . 1980 . . 40 ARG CB . 53456 1
369 . 1 . 1 40 40 ARG CD C 13 42.828 . . 1 . . 1974 . . 40 ARG CD . 53456 1
370 . 1 . 1 41 41 THR HA H 1 4.249 0.004 . 1 . . 1745 . . 41 THR HA . 53456 1
371 . 1 . 1 41 41 THR HB H 1 4.228 0.003 . 1 . . 1747 . . 41 THR HB . 53456 1
372 . 1 . 1 41 41 THR HG21 H 1 1.165 0.0 . 1 . . 1764 . . 41 THR HG21 . 53456 1
373 . 1 . 1 41 41 THR HG22 H 1 1.165 0.0 . 1 . . 1764 . . 41 THR HG22 . 53456 1
374 . 1 . 1 41 41 THR HG23 H 1 1.165 0.0 . 1 . . 1764 . . 41 THR HG23 . 53456 1
375 . 1 . 1 41 41 THR CA C 13 62.551 . . 1 . . 1746 . . 41 THR CA . 53456 1
376 . 1 . 1 41 41 THR CB C 13 69.680 . . 1 . . 1748 . . 41 THR CB . 53456 1
377 . 1 . 1 41 41 THR CG2 C 13 21.770 . . 1 . . 1765 . . 41 THR CG2 . 53456 1
378 . 1 . 1 42 42 ALA HA H 1 4.228 0.001 . 1 . . 1760 . . 42 ALA HA . 53456 1
379 . 1 . 1 42 42 ALA HB1 H 1 1.344 0.001 . 1 . . 1761 . . 42 ALA HB1 . 53456 1
380 . 1 . 1 42 42 ALA HB2 H 1 1.344 0.001 . 1 . . 1761 . . 42 ALA HB2 . 53456 1
381 . 1 . 1 42 42 ALA HB3 H 1 1.344 0.001 . 1 . . 1761 . . 42 ALA HB3 . 53456 1
382 . 1 . 1 42 42 ALA CA C 13 53.112 . . 1 . . 1763 . . 42 ALA CA . 53456 1
383 . 1 . 1 42 42 ALA CB C 13 19.072 . . 1 . . 3179 . . 42 ALA CB . 53456 1
384 . 1 . 1 43 43 LYS HA H 1 4.161 0.002 . 1 . . 1951 . . 43 LYS HA . 53456 1
385 . 1 . 1 43 43 LYS HB2 H 1 1.638 0.0 . 1 . . 1807 . . 43 LYS HB2 . 53456 1
386 . 1 . 1 43 43 LYS HG2 H 1 1.227 0.0 . 2 . . 1811 . . 43 LYS HG2 . 53456 1
387 . 1 . 1 43 43 LYS HG3 H 1 1.277 0.001 . 2 . . 1950 . . 43 LYS HG3 . 53456 1
388 . 1 . 1 43 43 LYS HD2 H 1 1.586 0.0 . 1 . . 1810 . . 43 LYS HD2 . 53456 1
389 . 1 . 1 43 43 LYS HE2 H 1 2.899 0.0 . 1 . . 1805 . . 43 LYS HE2 . 53456 1
390 . 1 . 1 43 43 LYS CA C 13 56.952 . . 1 . . 1953 . . 43 LYS CA . 53456 1
391 . 1 . 1 43 43 LYS CB C 13 32.835 . . 1 . . 1808 . . 43 LYS CB . 53456 1
392 . 1 . 1 43 43 LYS CG C 13 24.674 0.002 . 1 . . 1812 . . 43 LYS CG . 53456 1
393 . 1 . 1 43 43 LYS CD C 13 28.989 . . 1 . . 1809 . . 43 LYS CD . 53456 1
394 . 1 . 1 43 43 LYS CE C 13 41.847 . . 1 . . 1806 . . 43 LYS CE . 53456 1
395 . 1 . 1 44 44 TYR H H 1 7.991 . . 1 . . 1554 . . 44 TYR H . 53456 1
396 . 1 . 1 44 44 TYR HA H 1 4.509 0.001 . 1 . . 1548 . . 44 TYR HA . 53456 1
397 . 1 . 1 44 44 TYR HB2 H 1 2.927 0.002 . 2 . . 1545 . . 44 TYR HB2 . 53456 1
398 . 1 . 1 44 44 TYR HB3 H 1 2.982 0.0 . 2 . . 2905 . . 44 TYR HB3 . 53456 1
399 . 1 . 1 44 44 TYR HD1 H 1 7.049 0.004 . 1 . . 1766 . . 44 TYR HD1 . 53456 1
400 . 1 . 1 44 44 TYR HD2 H 1 7.049 0.004 . 1 . . 1766 . . 44 TYR HD2 . 53456 1
401 . 1 . 1 44 44 TYR HE1 H 1 6.760 0.0 . 1 . . 2904 . . 44 TYR HE1 . 53456 1
402 . 1 . 1 44 44 TYR HE2 H 1 6.760 0.0 . 1 . . 2904 . . 44 TYR HE2 . 53456 1
403 . 1 . 1 44 44 TYR CA C 13 58.146 . . 1 . . 1549 . . 44 TYR CA . 53456 1
404 . 1 . 1 44 44 TYR CB C 13 38.936 0.002 . 1 . . 1546 . . 44 TYR CB . 53456 1
405 . 1 . 1 44 44 TYR N N 15 120.923 . . 1 . . 2794 . . 44 TYR N . 53456 1
406 . 1 . 1 45 45 VAL H H 1 7.820 0.0 . 1 . . 1564 . . 45 VAL H . 53456 1
407 . 1 . 1 45 45 VAL HA H 1 3.989 0.001 . 1 . . 1556 . . 45 VAL HA . 53456 1
408 . 1 . 1 45 45 VAL HB H 1 1.976 0.001 . 1 . . 1558 . . 45 VAL HB . 53456 1
409 . 1 . 1 45 45 VAL HG11 H 1 0.864 0.004 . 2 . . 1560 . . 45 VAL HG11 . 53456 1
410 . 1 . 1 45 45 VAL HG12 H 1 0.864 0.004 . 2 . . 1560 . . 45 VAL HG12 . 53456 1
411 . 1 . 1 45 45 VAL HG13 H 1 0.864 0.004 . 2 . . 1560 . . 45 VAL HG13 . 53456 1
412 . 1 . 1 45 45 VAL HG21 H 1 0.862 0.005 . 2 . . 1562 . . 45 VAL HG21 . 53456 1
413 . 1 . 1 45 45 VAL HG22 H 1 0.862 0.005 . 2 . . 1562 . . 45 VAL HG22 . 53456 1
414 . 1 . 1 45 45 VAL HG23 H 1 0.862 0.005 . 2 . . 1562 . . 45 VAL HG23 . 53456 1
415 . 1 . 1 45 45 VAL CA C 13 61.935 . . 1 . . 1557 . . 45 VAL CA . 53456 1
416 . 1 . 1 45 45 VAL CB C 13 33.048 . . 1 . . 1559 . . 45 VAL CB . 53456 1
417 . 1 . 1 45 45 VAL CG1 C 13 20.626 . . 2 . . 1561 . . 45 VAL CG1 . 53456 1
418 . 1 . 1 45 45 VAL CG2 C 13 21.192 . . 2 . . 1563 . . 45 VAL CG2 . 53456 1
419 . 1 . 1 45 45 VAL N N 15 122.377 . . 1 . . 2806 . . 45 VAL N . 53456 1
420 . 1 . 1 46 46 ALA H H 1 8.179 0.0 . 1 . . 1820 . . 46 ALA H . 53456 1
421 . 1 . 1 46 46 ALA HA H 1 4.196 0.001 . 1 . . 1819 . . 46 ALA HA . 53456 1
422 . 1 . 1 46 46 ALA HB1 H 1 1.359 0.005 . 1 . . 1822 . . 46 ALA HB1 . 53456 1
423 . 1 . 1 46 46 ALA HB2 H 1 1.359 0.005 . 1 . . 1822 . . 46 ALA HB2 . 53456 1
424 . 1 . 1 46 46 ALA HB3 H 1 1.359 0.005 . 1 . . 1822 . . 46 ALA HB3 . 53456 1
425 . 1 . 1 46 46 ALA CA C 13 52.594 . . 1 . . 1816 . . 46 ALA CA . 53456 1
426 . 1 . 1 46 46 ALA CB C 13 19.034 . . 1 . . 1818 . . 46 ALA CB . 53456 1
427 . 1 . 1 46 46 ALA N N 15 127.344 . . 1 . . 2795 . . 46 ALA N . 53456 1
428 . 1 . 1 47 47 ASN HA H 1 4.610 0.002 . 1 . . 1601 . . 47 ASN HA . 53456 1
429 . 1 . 1 47 47 ASN HB2 H 1 2.741 0.002 . 2 . . 1598 . . 47 ASN HB2 . 53456 1
430 . 1 . 1 47 47 ASN HB3 H 1 2.769 0.002 . 2 . . 1600 . . 47 ASN HB3 . 53456 1
431 . 1 . 1 47 47 ASN CA C 13 52.971 . . 1 . . 1602 . . 47 ASN CA . 53456 1
432 . 1 . 1 47 47 ASN CB C 13 38.962 0.002 . 1 . . 1599 . . 47 ASN CB . 53456 1
stop_
save_