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 51855
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Assigned chemical shifts for nMazE9'
_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 .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_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 .
_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 TOCSY' . . . 51855 1
2 '2D 1H-1H NOESY' . . . 51855 1
3 '3D HNCACB' . . . 51855 1
4 '3D CC(CO)NH-TOCSY' . . . 51855 1
5 '2D 1H-15N HSQC' . . . 51855 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
4 $software_4 . . 51855 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 2 2 GLY CA C 13 45.126 0.017 . 1 . . . . . 2 GLY CA . 51855 1
2 . 1 . 1 3 3 SER H H 1 8.052 0.004 . 1 . . . . . 3 SER H . 51855 1
3 . 1 . 1 3 3 SER HA H 1 4.565 0.008 . 1 . . . . . 3 SER HA . 51855 1
4 . 1 . 1 3 3 SER HB2 H 1 3.538 0.008 . 2 . . . . . 3 SER HB2 . 51855 1
5 . 1 . 1 3 3 SER HB3 H 1 3.493 0.003 . 2 . . . . . 3 SER HB3 . 51855 1
6 . 1 . 1 3 3 SER CA C 13 57.748 0.028 . 1 . . . . . 3 SER CA . 51855 1
7 . 1 . 1 3 3 SER CB C 13 64.797 0.013 . 1 . . . . . 3 SER CB . 51855 1
8 . 1 . 1 3 3 SER N N 15 115.181 0.024 . 1 . . . . . 3 SER N . 51855 1
9 . 1 . 1 4 4 MET H H 1 8.817 0.007 . 1 . . . . . 4 MET H . 51855 1
10 . 1 . 1 4 4 MET HA H 1 4.456 0.003 . 1 . . . . . 4 MET HA . 51855 1
11 . 1 . 1 4 4 MET HB2 H 1 1.810 0.006 . 1 . . . . . 4 MET HB2 . 51855 1
12 . 1 . 1 4 4 MET HB3 H 1 1.810 0.006 . 1 . . . . . 4 MET HB3 . 51855 1
13 . 1 . 1 4 4 MET HG2 H 1 2.270 0.004 . 1 . . . . . 4 MET HG2 . 51855 1
14 . 1 . 1 4 4 MET HG3 H 1 2.271 0.004 . 1 . . . . . 4 MET HG3 . 51855 1
15 . 1 . 1 4 4 MET CA C 13 54.746 0.016 . 1 . . . . . 4 MET CA . 51855 1
16 . 1 . 1 4 4 MET CB C 13 34.971 0.051 . 1 . . . . . 4 MET CB . 51855 1
17 . 1 . 1 4 4 MET CG C 13 31.422 0.000 . 1 . . . . . 4 MET CG . 51855 1
18 . 1 . 1 4 4 MET N N 15 122.521 0.015 . 1 . . . . . 4 MET N . 51855 1
19 . 1 . 1 5 5 LYS H H 1 8.219 0.006 . 1 . . . . . 5 LYS H . 51855 1
20 . 1 . 1 5 5 LYS HA H 1 4.800 0.003 . 1 . . . . . 5 LYS HA . 51855 1
21 . 1 . 1 5 5 LYS HB2 H 1 1.488 0.004 . 1 . . . . . 5 LYS HB2 . 51855 1
22 . 1 . 1 5 5 LYS HB3 H 1 1.488 0.004 . 1 . . . . . 5 LYS HB3 . 51855 1
23 . 1 . 1 5 5 LYS HG2 H 1 1.075 0.004 . 2 . . . . . 5 LYS HG2 . 51855 1
24 . 1 . 1 5 5 LYS HG3 H 1 1.181 0.004 . 2 . . . . . 5 LYS HG3 . 51855 1
25 . 1 . 1 5 5 LYS HD2 H 1 1.406 0.004 . 1 . . . . . 5 LYS HD2 . 51855 1
26 . 1 . 1 5 5 LYS HD3 H 1 1.406 0.004 . 1 . . . . . 5 LYS HD3 . 51855 1
27 . 1 . 1 5 5 LYS HE2 H 1 2.721 0.002 . 1 . . . . . 5 LYS HE2 . 51855 1
28 . 1 . 1 5 5 LYS HE3 H 1 2.721 0.002 . 1 . . . . . 5 LYS HE3 . 51855 1
29 . 1 . 1 5 5 LYS CA C 13 55.026 0.089 . 1 . . . . . 5 LYS CA . 51855 1
30 . 1 . 1 5 5 LYS CB C 13 32.971 0.056 . 1 . . . . . 5 LYS CB . 51855 1
31 . 1 . 1 5 5 LYS CG C 13 24.726 0.000 . 1 . . . . . 5 LYS CG . 51855 1
32 . 1 . 1 5 5 LYS CD C 13 29.109 0.000 . 1 . . . . . 5 LYS CD . 51855 1
33 . 1 . 1 5 5 LYS CE C 13 41.799 0.000 . 1 . . . . . 5 LYS CE . 51855 1
34 . 1 . 1 5 5 LYS N N 15 123.322 0.026 . 1 . . . . . 5 LYS N . 51855 1
35 . 1 . 1 6 6 LEU H H 1 8.790 0.006 . 1 . . . . . 6 LEU H . 51855 1
36 . 1 . 1 6 6 LEU HA H 1 4.501 0.003 . 1 . . . . . 6 LEU HA . 51855 1
37 . 1 . 1 6 6 LEU HB2 H 1 1.323 0.007 . 2 . . . . . 6 LEU HB2 . 51855 1
38 . 1 . 1 6 6 LEU HB3 H 1 1.331 0.006 . 2 . . . . . 6 LEU HB3 . 51855 1
39 . 1 . 1 6 6 LEU HG H 1 1.226 0.005 . 1 . . . . . 6 LEU HG . 51855 1
40 . 1 . 1 6 6 LEU HD11 H 1 0.617 0.005 . 2 . . . . . 6 LEU HD11 . 51855 1
41 . 1 . 1 6 6 LEU HD12 H 1 0.617 0.005 . 2 . . . . . 6 LEU HD12 . 51855 1
42 . 1 . 1 6 6 LEU HD13 H 1 0.617 0.005 . 2 . . . . . 6 LEU HD13 . 51855 1
43 . 1 . 1 6 6 LEU HD21 H 1 0.621 0.009 . 2 . . . . . 6 LEU HD21 . 51855 1
44 . 1 . 1 6 6 LEU HD22 H 1 0.621 0.009 . 2 . . . . . 6 LEU HD22 . 51855 1
45 . 1 . 1 6 6 LEU HD23 H 1 0.621 0.009 . 2 . . . . . 6 LEU HD23 . 51855 1
46 . 1 . 1 6 6 LEU CA C 13 53.753 0.036 . 1 . . . . . 6 LEU CA . 51855 1
47 . 1 . 1 6 6 LEU CB C 13 45.022 0.038 . 1 . . . . . 6 LEU CB . 51855 1
48 . 1 . 1 6 6 LEU CG C 13 27.307 0.000 . 1 . . . . . 6 LEU CG . 51855 1
49 . 1 . 1 6 6 LEU CD1 C 13 25.336 0.000 . 1 . . . . . 6 LEU CD1 . 51855 1
50 . 1 . 1 6 6 LEU CD2 C 13 25.336 0.000 . 1 . . . . . 6 LEU CD2 . 51855 1
51 . 1 . 1 6 6 LEU N N 15 125.464 0.027 . 1 . . . . . 6 LEU N . 51855 1
52 . 1 . 1 7 7 SER H H 1 8.266 0.004 . 1 . . . . . 7 SER H . 51855 1
53 . 1 . 1 7 7 SER HA H 1 5.153 0.003 . 1 . . . . . 7 SER HA . 51855 1
54 . 1 . 1 7 7 SER HB2 H 1 3.507 0.006 . 2 . . . . . 7 SER HB2 . 51855 1
55 . 1 . 1 7 7 SER HB3 H 1 3.530 0.007 . 2 . . . . . 7 SER HB3 . 51855 1
56 . 1 . 1 7 7 SER CA C 13 56.859 0.033 . 1 . . . . . 7 SER CA . 51855 1
57 . 1 . 1 7 7 SER CB C 13 63.776 0.059 . 1 . . . . . 7 SER CB . 51855 1
58 . 1 . 1 7 7 SER N N 15 117.335 0.010 . 1 . . . . . 7 SER N . 51855 1
59 . 1 . 1 8 8 VAL H H 1 8.787 0.008 . 1 . . . . . 8 VAL H . 51855 1
60 . 1 . 1 8 8 VAL HA H 1 4.378 0.004 . 1 . . . . . 8 VAL HA . 51855 1
61 . 1 . 1 8 8 VAL HB H 1 1.825 0.005 . 1 . . . . . 8 VAL HB . 51855 1
62 . 1 . 1 8 8 VAL HG11 H 1 0.600 0.003 . 2 . . . . . 8 VAL HG11 . 51855 1
63 . 1 . 1 8 8 VAL HG12 H 1 0.600 0.003 . 2 . . . . . 8 VAL HG12 . 51855 1
64 . 1 . 1 8 8 VAL HG13 H 1 0.600 0.003 . 2 . . . . . 8 VAL HG13 . 51855 1
65 . 1 . 1 8 8 VAL HG21 H 1 0.599 0.002 . 2 . . . . . 8 VAL HG21 . 51855 1
66 . 1 . 1 8 8 VAL HG22 H 1 0.599 0.002 . 2 . . . . . 8 VAL HG22 . 51855 1
67 . 1 . 1 8 8 VAL HG23 H 1 0.599 0.002 . 2 . . . . . 8 VAL HG23 . 51855 1
68 . 1 . 1 8 8 VAL CA C 13 59.252 0.052 . 1 . . . . . 8 VAL CA . 51855 1
69 . 1 . 1 8 8 VAL CB C 13 35.082 0.034 . 1 . . . . . 8 VAL CB . 51855 1
70 . 1 . 1 8 8 VAL CG1 C 13 20.804 0.000 . 2 . . . . . 8 VAL CG1 . 51855 1
71 . 1 . 1 8 8 VAL CG2 C 13 20.077 0.000 . 2 . . . . . 8 VAL CG2 . 51855 1
72 . 1 . 1 8 8 VAL N N 15 121.840 0.023 . 1 . . . . . 8 VAL N . 51855 1
73 . 1 . 1 9 9 SER H H 1 8.332 0.005 . 1 . . . . . 9 SER H . 51855 1
74 . 1 . 1 9 9 SER HA H 1 5.043 0.002 . 1 . . . . . 9 SER HA . 51855 1
75 . 1 . 1 9 9 SER HB2 H 1 3.498 0.003 . 2 . . . . . 9 SER HB2 . 51855 1
76 . 1 . 1 9 9 SER HB3 H 1 3.439 0.003 . 2 . . . . . 9 SER HB3 . 51855 1
77 . 1 . 1 9 9 SER CA C 13 56.984 0.034 . 1 . . . . . 9 SER CA . 51855 1
78 . 1 . 1 9 9 SER CB C 13 63.749 0.030 . 1 . . . . . 9 SER CB . 51855 1
79 . 1 . 1 9 9 SER N N 15 119.911 0.059 . 1 . . . . . 9 SER N . 51855 1
80 . 1 . 1 10 10 LEU H H 1 8.412 0.008 . 1 . . . . . 10 LEU H . 51855 1
81 . 1 . 1 10 10 LEU HA H 1 4.736 0.003 . 1 . . . . . 10 LEU HA . 51855 1
82 . 1 . 1 10 10 LEU HB2 H 1 1.359 0.009 . 2 . . . . . 10 LEU HB2 . 51855 1
83 . 1 . 1 10 10 LEU HB3 H 1 1.352 0.009 . 2 . . . . . 10 LEU HB3 . 51855 1
84 . 1 . 1 10 10 LEU HG H 1 1.475 0.005 . 1 . . . . . 10 LEU HG . 51855 1
85 . 1 . 1 10 10 LEU HD11 H 1 0.534 0.004 . 2 . . . . . 10 LEU HD11 . 51855 1
86 . 1 . 1 10 10 LEU HD12 H 1 0.534 0.004 . 2 . . . . . 10 LEU HD12 . 51855 1
87 . 1 . 1 10 10 LEU HD13 H 1 0.534 0.004 . 2 . . . . . 10 LEU HD13 . 51855 1
88 . 1 . 1 10 10 LEU HD21 H 1 0.715 0.006 . 2 . . . . . 10 LEU HD21 . 51855 1
89 . 1 . 1 10 10 LEU HD22 H 1 0.715 0.006 . 2 . . . . . 10 LEU HD22 . 51855 1
90 . 1 . 1 10 10 LEU HD23 H 1 0.715 0.006 . 2 . . . . . 10 LEU HD23 . 51855 1
91 . 1 . 1 10 10 LEU CA C 13 52.527 0.029 . 1 . . . . . 10 LEU CA . 51855 1
92 . 1 . 1 10 10 LEU CB C 13 46.607 0.017 . 1 . . . . . 10 LEU CB . 51855 1
93 . 1 . 1 10 10 LEU CG C 13 26.550 0.000 . 1 . . . . . 10 LEU CG . 51855 1
94 . 1 . 1 10 10 LEU CD1 C 13 23.573 0.000 . 1 . . . . . 10 LEU CD1 . 51855 1
95 . 1 . 1 10 10 LEU CD2 C 13 23.573 0.000 . 1 . . . . . 10 LEU CD2 . 51855 1
96 . 1 . 1 10 10 LEU N N 15 124.741 0.018 . 1 . . . . . 10 LEU N . 51855 1
97 . 1 . 1 11 11 SER H H 1 9.359 0.005 . 1 . . . . . 11 SER H . 51855 1
98 . 1 . 1 11 11 SER HA H 1 4.583 0.018 . 1 . . . . . 11 SER HA . 51855 1
99 . 1 . 1 11 11 SER HB2 H 1 3.862 0.004 . 2 . . . . . 11 SER HB2 . 51855 1
100 . 1 . 1 11 11 SER HB3 H 1 4.163 0.004 . 2 . . . . . 11 SER HB3 . 51855 1
101 . 1 . 1 11 11 SER CA C 13 57.306 0.029 . 1 . . . . . 11 SER CA . 51855 1
102 . 1 . 1 11 11 SER CB C 13 65.152 0.027 . 1 . . . . . 11 SER CB . 51855 1
103 . 1 . 1 11 11 SER N N 15 118.203 0.009 . 1 . . . . . 11 SER N . 51855 1
104 . 1 . 1 12 12 ASP H H 1 8.477 0.007 . 1 . . . . . 12 ASP H . 51855 1
105 . 1 . 1 12 12 ASP HA H 1 4.078 0.004 . 1 . . . . . 12 ASP HA . 51855 1
106 . 1 . 1 12 12 ASP HB2 H 1 2.466 0.009 . 2 . . . . . 12 ASP HB2 . 51855 1
107 . 1 . 1 12 12 ASP HB3 H 1 2.463 0.009 . 2 . . . . . 12 ASP HB3 . 51855 1
108 . 1 . 1 12 12 ASP CA C 13 57.540 0.082 . 1 . . . . . 12 ASP CA . 51855 1
109 . 1 . 1 12 12 ASP CB C 13 39.791 0.073 . 1 . . . . . 12 ASP CB . 51855 1
110 . 1 . 1 12 12 ASP N N 15 121.331 0.011 . 1 . . . . . 12 ASP N . 51855 1
111 . 1 . 1 13 13 ASP H H 1 8.116 0.009 . 1 . . . . . 13 ASP H . 51855 1
112 . 1 . 1 13 13 ASP HA H 1 4.232 0.002 . 1 . . . . . 13 ASP HA . 51855 1
113 . 1 . 1 13 13 ASP HB2 H 1 2.368 0.006 . 2 . . . . . 13 ASP HB2 . 51855 1
114 . 1 . 1 13 13 ASP HB3 H 1 2.446 0.016 . 2 . . . . . 13 ASP HB3 . 51855 1
115 . 1 . 1 13 13 ASP CA C 13 57.147 0.147 . 1 . . . . . 13 ASP CA . 51855 1
116 . 1 . 1 13 13 ASP CB C 13 40.625 0.047 . 1 . . . . . 13 ASP CB . 51855 1
117 . 1 . 1 13 13 ASP N N 15 119.378 0.016 . 1 . . . . . 13 ASP N . 51855 1
118 . 1 . 1 14 14 ASP H H 1 7.623 0.004 . 1 . . . . . 14 ASP H . 51855 1
119 . 1 . 1 14 14 ASP HA H 1 4.251 0.005 . 1 . . . . . 14 ASP HA . 51855 1
120 . 1 . 1 14 14 ASP HB2 H 1 2.874 0.004 . 2 . . . . . 14 ASP HB2 . 51855 1
121 . 1 . 1 14 14 ASP HB3 H 1 2.323 0.008 . 2 . . . . . 14 ASP HB3 . 51855 1
122 . 1 . 1 14 14 ASP CA C 13 57.454 0.004 . 1 . . . . . 14 ASP CA . 51855 1
123 . 1 . 1 14 14 ASP CB C 13 41.344 0.087 . 1 . . . . . 14 ASP CB . 51855 1
124 . 1 . 1 14 14 ASP N N 15 120.796 0.027 . 1 . . . . . 14 ASP N . 51855 1
125 . 1 . 1 15 15 VAL H H 1 8.078 0.005 . 1 . . . . . 15 VAL H . 51855 1
126 . 1 . 1 15 15 VAL HA H 1 3.251 0.005 . 1 . . . . . 15 VAL HA . 51855 1
127 . 1 . 1 15 15 VAL HB H 1 1.909 0.005 . 1 . . . . . 15 VAL HB . 51855 1
128 . 1 . 1 15 15 VAL HG11 H 1 0.751 0.003 . 2 . . . . . 15 VAL HG11 . 51855 1
129 . 1 . 1 15 15 VAL HG12 H 1 0.751 0.003 . 2 . . . . . 15 VAL HG12 . 51855 1
130 . 1 . 1 15 15 VAL HG13 H 1 0.751 0.003 . 2 . . . . . 15 VAL HG13 . 51855 1
131 . 1 . 1 15 15 VAL HG21 H 1 0.825 0.003 . 2 . . . . . 15 VAL HG21 . 51855 1
132 . 1 . 1 15 15 VAL HG22 H 1 0.825 0.003 . 2 . . . . . 15 VAL HG22 . 51855 1
133 . 1 . 1 15 15 VAL HG23 H 1 0.825 0.003 . 2 . . . . . 15 VAL HG23 . 51855 1
134 . 1 . 1 15 15 VAL CA C 13 66.735 0.020 . 1 . . . . . 15 VAL CA . 51855 1
135 . 1 . 1 15 15 VAL CB C 13 31.394 0.009 . 1 . . . . . 15 VAL CB . 51855 1
136 . 1 . 1 15 15 VAL N N 15 119.460 0.021 . 1 . . . . . 15 VAL N . 51855 1
137 . 1 . 1 16 16 ALA H H 1 7.701 0.005 . 1 . . . . . 16 ALA H . 51855 1
138 . 1 . 1 16 16 ALA HA H 1 4.073 0.004 . 1 . . . . . 16 ALA HA . 51855 1
139 . 1 . 1 16 16 ALA HB1 H 1 1.388 0.003 . 1 . . . . . 16 ALA HB1 . 51855 1
140 . 1 . 1 16 16 ALA HB2 H 1 1.388 0.003 . 1 . . . . . 16 ALA HB2 . 51855 1
141 . 1 . 1 16 16 ALA HB3 H 1 1.388 0.003 . 1 . . . . . 16 ALA HB3 . 51855 1
142 . 1 . 1 16 16 ALA CA C 13 55.329 0.014 . 1 . . . . . 16 ALA CA . 51855 1
143 . 1 . 1 16 16 ALA CB C 13 17.576 0.058 . 1 . . . . . 16 ALA CB . 51855 1
144 . 1 . 1 16 16 ALA N N 15 121.475 0.003 . 1 . . . . . 16 ALA N . 51855 1
145 . 1 . 1 17 17 ILE H H 1 7.496 0.005 . 1 . . . . . 17 ILE H . 51855 1
146 . 1 . 1 17 17 ILE HA H 1 3.540 0.004 . 1 . . . . . 17 ILE HA . 51855 1
147 . 1 . 1 17 17 ILE HB H 1 1.784 0.004 . 1 . . . . . 17 ILE HB . 51855 1
148 . 1 . 1 17 17 ILE HG12 H 1 0.885 0.010 . 2 . . . . . 17 ILE HG12 . 51855 1
149 . 1 . 1 17 17 ILE HG13 H 1 0.887 0.009 . 2 . . . . . 17 ILE HG13 . 51855 1
150 . 1 . 1 17 17 ILE HG21 H 1 0.710 0.006 . 1 . . . . . 17 ILE HG21 . 51855 1
151 . 1 . 1 17 17 ILE HG22 H 1 0.710 0.006 . 1 . . . . . 17 ILE HG22 . 51855 1
152 . 1 . 1 17 17 ILE HG23 H 1 0.710 0.006 . 1 . . . . . 17 ILE HG23 . 51855 1
153 . 1 . 1 17 17 ILE CA C 13 64.915 0.022 . 1 . . . . . 17 ILE CA . 51855 1
154 . 1 . 1 17 17 ILE CB C 13 37.936 0.051 . 1 . . . . . 17 ILE CB . 51855 1
155 . 1 . 1 17 17 ILE CG1 C 13 28.553 0.000 . 1 . . . . . 17 ILE CG1 . 51855 1
156 . 1 . 1 17 17 ILE CG2 C 13 18.396 0.000 . 1 . . . . . 17 ILE CG2 . 51855 1
157 . 1 . 1 17 17 ILE CD1 C 13 13.536 0.000 . 1 . . . . . 17 ILE CD1 . 51855 1
158 . 1 . 1 17 17 ILE N N 15 120.448 0.031 . 1 . . . . . 17 ILE N . 51855 1
159 . 1 . 1 18 18 LEU H H 1 7.902 0.012 . 1 . . . . . 18 LEU H . 51855 1
160 . 1 . 1 18 18 LEU HA H 1 3.845 0.006 . 1 . . . . . 18 LEU HA . 51855 1
161 . 1 . 1 18 18 LEU HB2 H 1 2.097 0.006 . 2 . . . . . 18 LEU HB2 . 51855 1
162 . 1 . 1 18 18 LEU HB3 H 1 1.501 0.006 . 2 . . . . . 18 LEU HB3 . 51855 1
163 . 1 . 1 18 18 LEU HG H 1 1.215 0.006 . 1 . . . . . 18 LEU HG . 51855 1
164 . 1 . 1 18 18 LEU HD11 H 1 0.773 0.009 . 2 . . . . . 18 LEU HD11 . 51855 1
165 . 1 . 1 18 18 LEU HD12 H 1 0.773 0.009 . 2 . . . . . 18 LEU HD12 . 51855 1
166 . 1 . 1 18 18 LEU HD13 H 1 0.773 0.009 . 2 . . . . . 18 LEU HD13 . 51855 1
167 . 1 . 1 18 18 LEU HD21 H 1 0.651 0.004 . 2 . . . . . 18 LEU HD21 . 51855 1
168 . 1 . 1 18 18 LEU HD22 H 1 0.651 0.004 . 2 . . . . . 18 LEU HD22 . 51855 1
169 . 1 . 1 18 18 LEU HD23 H 1 0.651 0.004 . 2 . . . . . 18 LEU HD23 . 51855 1
170 . 1 . 1 18 18 LEU CA C 13 58.040 0.017 . 1 . . . . . 18 LEU CA . 51855 1
171 . 1 . 1 18 18 LEU CB C 13 42.198 0.032 . 1 . . . . . 18 LEU CB . 51855 1
172 . 1 . 1 18 18 LEU CG C 13 27.093 0.000 . 1 . . . . . 18 LEU CG . 51855 1
173 . 1 . 1 18 18 LEU CD1 C 13 25.663 0.000 . 2 . . . . . 18 LEU CD1 . 51855 1
174 . 1 . 1 18 18 LEU CD2 C 13 22.162 0.000 . 2 . . . . . 18 LEU CD2 . 51855 1
175 . 1 . 1 18 18 LEU N N 15 122.321 0.020 . 1 . . . . . 18 LEU N . 51855 1
176 . 1 . 1 19 19 ASP H H 1 9.197 0.006 . 1 . . . . . 19 ASP H . 51855 1
177 . 1 . 1 19 19 ASP HA H 1 4.197 0.005 . 1 . . . . . 19 ASP HA . 51855 1
178 . 1 . 1 19 19 ASP HB2 H 1 2.539 0.006 . 2 . . . . . 19 ASP HB2 . 51855 1
179 . 1 . 1 19 19 ASP HB3 H 1 2.372 0.007 . 2 . . . . . 19 ASP HB3 . 51855 1
180 . 1 . 1 19 19 ASP CA C 13 57.143 0.040 . 1 . . . . . 19 ASP CA . 51855 1
181 . 1 . 1 19 19 ASP CB C 13 39.372 0.047 . 1 . . . . . 19 ASP CB . 51855 1
182 . 1 . 1 19 19 ASP N N 15 119.096 0.025 . 1 . . . . . 19 ASP N . 51855 1
183 . 1 . 1 20 20 ALA H H 1 7.839 0.004 . 1 . . . . . 20 ALA H . 51855 1
184 . 1 . 1 20 20 ALA HA H 1 4.030 0.003 . 1 . . . . . 20 ALA HA . 51855 1
185 . 1 . 1 20 20 ALA HB1 H 1 1.384 0.005 . 1 . . . . . 20 ALA HB1 . 51855 1
186 . 1 . 1 20 20 ALA HB2 H 1 1.384 0.005 . 1 . . . . . 20 ALA HB2 . 51855 1
187 . 1 . 1 20 20 ALA HB3 H 1 1.384 0.005 . 1 . . . . . 20 ALA HB3 . 51855 1
188 . 1 . 1 20 20 ALA CA C 13 54.925 0.032 . 1 . . . . . 20 ALA CA . 51855 1
189 . 1 . 1 20 20 ALA CB C 13 17.631 0.060 . 1 . . . . . 20 ALA CB . 51855 1
190 . 1 . 1 20 20 ALA N N 15 123.531 0.019 . 1 . . . . . 20 ALA N . 51855 1
191 . 1 . 1 21 21 TYR H H 1 8.016 0.011 . 1 . . . . . 21 TYR H . 51855 1
192 . 1 . 1 21 21 TYR HA H 1 3.889 0.007 . 1 . . . . . 21 TYR HA . 51855 1
193 . 1 . 1 21 21 TYR HB2 H 1 3.006 0.009 . 2 . . . . . 21 TYR HB2 . 51855 1
194 . 1 . 1 21 21 TYR HB3 H 1 3.011 0.010 . 2 . . . . . 21 TYR HB3 . 51855 1
195 . 1 . 1 21 21 TYR HD1 H 1 6.712 0.003 . 1 . . . . . 21 TYR HD1 . 51855 1
196 . 1 . 1 21 21 TYR HD2 H 1 6.712 0.003 . 1 . . . . . 21 TYR HD2 . 51855 1
197 . 1 . 1 21 21 TYR HE1 H 1 6.533 0.003 . 1 . . . . . 21 TYR HE1 . 51855 1
198 . 1 . 1 21 21 TYR HE2 H 1 6.533 0.003 . 1 . . . . . 21 TYR HE2 . 51855 1
199 . 1 . 1 21 21 TYR CA C 13 61.933 0.006 . 1 . . . . . 21 TYR CA . 51855 1
200 . 1 . 1 21 21 TYR CB C 13 38.479 0.033 . 1 . . . . . 21 TYR CB . 51855 1
201 . 1 . 1 21 21 TYR N N 15 121.509 0.017 . 1 . . . . . 21 TYR N . 51855 1
202 . 1 . 1 22 22 VAL H H 1 8.661 0.006 . 1 . . . . . 22 VAL H . 51855 1
203 . 1 . 1 22 22 VAL HA H 1 3.008 0.004 . 1 . . . . . 22 VAL HA . 51855 1
204 . 1 . 1 22 22 VAL HB H 1 2.054 0.007 . 1 . . . . . 22 VAL HB . 51855 1
205 . 1 . 1 22 22 VAL HG11 H 1 0.927 0.003 . 2 . . . . . 22 VAL HG11 . 51855 1
206 . 1 . 1 22 22 VAL HG12 H 1 0.927 0.003 . 2 . . . . . 22 VAL HG12 . 51855 1
207 . 1 . 1 22 22 VAL HG13 H 1 0.927 0.003 . 2 . . . . . 22 VAL HG13 . 51855 1
208 . 1 . 1 22 22 VAL HG21 H 1 0.565 0.002 . 2 . . . . . 22 VAL HG21 . 51855 1
209 . 1 . 1 22 22 VAL HG22 H 1 0.565 0.002 . 2 . . . . . 22 VAL HG22 . 51855 1
210 . 1 . 1 22 22 VAL HG23 H 1 0.565 0.002 . 2 . . . . . 22 VAL HG23 . 51855 1
211 . 1 . 1 22 22 VAL CA C 13 66.937 0.025 . 1 . . . . . 22 VAL CA . 51855 1
212 . 1 . 1 22 22 VAL CB C 13 31.984 0.013 . 1 . . . . . 22 VAL CB . 51855 1
213 . 1 . 1 22 22 VAL CG1 C 13 24.445 0.000 . 2 . . . . . 22 VAL CG1 . 51855 1
214 . 1 . 1 22 22 VAL CG2 C 13 21.071 0.000 . 2 . . . . . 22 VAL CG2 . 51855 1
215 . 1 . 1 22 22 VAL N N 15 119.042 0.016 . 1 . . . . . 22 VAL N . 51855 1
216 . 1 . 1 23 23 LYS H H 1 7.491 0.009 . 1 . . . . . 23 LYS H . 51855 1
217 . 1 . 1 23 23 LYS HA H 1 3.940 0.005 . 1 . . . . . 23 LYS HA . 51855 1
218 . 1 . 1 23 23 LYS HB2 H 1 1.703 0.005 . 1 . . . . . 23 LYS HB2 . 51855 1
219 . 1 . 1 23 23 LYS HB3 H 1 1.703 0.005 . 1 . . . . . 23 LYS HB3 . 51855 1
220 . 1 . 1 23 23 LYS HG2 H 1 1.287 0.013 . 2 . . . . . 23 LYS HG2 . 51855 1
221 . 1 . 1 23 23 LYS HG3 H 1 1.220 0.014 . 2 . . . . . 23 LYS HG3 . 51855 1
222 . 1 . 1 23 23 LYS HD2 H 1 1.508 0.003 . 1 . . . . . 23 LYS HD2 . 51855 1
223 . 1 . 1 23 23 LYS HD3 H 1 1.509 0.004 . 1 . . . . . 23 LYS HD3 . 51855 1
224 . 1 . 1 23 23 LYS HE2 H 1 2.797 0.002 . 1 . . . . . 23 LYS HE2 . 51855 1
225 . 1 . 1 23 23 LYS HE3 H 1 2.797 0.002 . 1 . . . . . 23 LYS HE3 . 51855 1
226 . 1 . 1 23 23 LYS CA C 13 58.795 0.007 . 1 . . . . . 23 LYS CA . 51855 1
227 . 1 . 1 23 23 LYS CB C 13 32.470 0.069 . 1 . . . . . 23 LYS CB . 51855 1
228 . 1 . 1 23 23 LYS CG C 13 24.682 0.000 . 1 . . . . . 23 LYS CG . 51855 1
229 . 1 . 1 23 23 LYS CD C 13 29.177 0.000 . 1 . . . . . 23 LYS CD . 51855 1
230 . 1 . 1 23 23 LYS CE C 13 41.969 0.000 . 1 . . . . . 23 LYS CE . 51855 1
231 . 1 . 1 23 23 LYS N N 15 116.969 0.045 . 1 . . . . . 23 LYS N . 51855 1
232 . 1 . 1 24 24 ARG H H 1 7.827 0.009 . 1 . . . . . 24 ARG H . 51855 1
233 . 1 . 1 24 24 ARG HA H 1 3.821 0.003 . 1 . . . . . 24 ARG HA . 51855 1
234 . 1 . 1 24 24 ARG HB2 H 1 1.690 0.006 . 2 . . . . . 24 ARG HB2 . 51855 1
235 . 1 . 1 24 24 ARG HB3 H 1 1.581 0.006 . 2 . . . . . 24 ARG HB3 . 51855 1
236 . 1 . 1 24 24 ARG HG2 H 1 1.448 0.004 . 1 . . . . . 24 ARG HG2 . 51855 1
237 . 1 . 1 24 24 ARG HG3 H 1 1.447 0.004 . 1 . . . . . 24 ARG HG3 . 51855 1
238 . 1 . 1 24 24 ARG HD2 H 1 2.951 0.005 . 2 . . . . . 24 ARG HD2 . 51855 1
239 . 1 . 1 24 24 ARG HD3 H 1 3.141 0.002 . 2 . . . . . 24 ARG HD3 . 51855 1
240 . 1 . 1 24 24 ARG HH11 H 1 6.913 0.004 . 1 . . . . . 24 ARG HH11 . 51855 1
241 . 1 . 1 24 24 ARG HH12 H 1 6.911 0.002 . 1 . . . . . 24 ARG HH12 . 51855 1
242 . 1 . 1 24 24 ARG HH21 H 1 6.631 0.003 . 1 . . . . . 24 ARG HH21 . 51855 1
243 . 1 . 1 24 24 ARG HH22 H 1 6.631 0.003 . 1 . . . . . 24 ARG HH22 . 51855 1
244 . 1 . 1 24 24 ARG CA C 13 58.840 0.034 . 1 . . . . . 24 ARG CA . 51855 1
245 . 1 . 1 24 24 ARG CB C 13 29.860 0.048 . 1 . . . . . 24 ARG CB . 51855 1
246 . 1 . 1 24 24 ARG CG C 13 26.939 0.000 . 1 . . . . . 24 ARG CG . 51855 1
247 . 1 . 1 24 24 ARG CD C 13 43.275 0.000 . 1 . . . . . 24 ARG CD . 51855 1
248 . 1 . 1 24 24 ARG N N 15 120.659 0.009 . 1 . . . . . 24 ARG N . 51855 1
249 . 1 . 1 25 25 ALA H H 1 8.325 0.007 . 1 . . . . . 25 ALA H . 51855 1
250 . 1 . 1 25 25 ALA HA H 1 3.969 0.005 . 1 . . . . . 25 ALA HA . 51855 1
251 . 1 . 1 25 25 ALA HB1 H 1 0.676 0.004 . 1 . . . . . 25 ALA HB1 . 51855 1
252 . 1 . 1 25 25 ALA HB2 H 1 0.676 0.004 . 1 . . . . . 25 ALA HB2 . 51855 1
253 . 1 . 1 25 25 ALA HB3 H 1 0.676 0.004 . 1 . . . . . 25 ALA HB3 . 51855 1
254 . 1 . 1 25 25 ALA CA C 13 51.770 0.024 . 1 . . . . . 25 ALA CA . 51855 1
255 . 1 . 1 25 25 ALA CB C 13 18.336 0.046 . 1 . . . . . 25 ALA CB . 51855 1
256 . 1 . 1 25 25 ALA N N 15 118.675 0.029 . 1 . . . . . 25 ALA N . 51855 1
257 . 1 . 1 26 26 GLY H H 1 7.347 0.010 . 1 . . . . . 26 GLY H . 51855 1
258 . 1 . 1 26 26 GLY HA2 H 1 3.682 0.007 . 2 . . . . . 26 GLY HA2 . 51855 1
259 . 1 . 1 26 26 GLY HA3 H 1 3.703 0.005 . 2 . . . . . 26 GLY HA3 . 51855 1
260 . 1 . 1 26 26 GLY CA C 13 46.501 0.032 . 1 . . . . . 26 GLY CA . 51855 1
261 . 1 . 1 26 26 GLY N N 15 108.136 0.015 . 1 . . . . . 26 GLY N . 51855 1
262 . 1 . 1 27 27 LEU H H 1 7.844 0.005 . 1 . . . . . 27 LEU H . 51855 1
263 . 1 . 1 27 27 LEU HA H 1 4.421 0.004 . 1 . . . . . 27 LEU HA . 51855 1
264 . 1 . 1 27 27 LEU HB2 H 1 1.273 0.005 . 2 . . . . . 27 LEU HB2 . 51855 1
265 . 1 . 1 27 27 LEU HB3 H 1 1.185 0.006 . 2 . . . . . 27 LEU HB3 . 51855 1
266 . 1 . 1 27 27 LEU HG H 1 1.558 0.005 . 1 . . . . . 27 LEU HG . 51855 1
267 . 1 . 1 27 27 LEU HD11 H 1 0.372 0.003 . 2 . . . . . 27 LEU HD11 . 51855 1
268 . 1 . 1 27 27 LEU HD12 H 1 0.372 0.003 . 2 . . . . . 27 LEU HD12 . 51855 1
269 . 1 . 1 27 27 LEU HD13 H 1 0.372 0.003 . 2 . . . . . 27 LEU HD13 . 51855 1
270 . 1 . 1 27 27 LEU HD21 H 1 0.575 0.005 . 2 . . . . . 27 LEU HD21 . 51855 1
271 . 1 . 1 27 27 LEU HD22 H 1 0.575 0.005 . 2 . . . . . 27 LEU HD22 . 51855 1
272 . 1 . 1 27 27 LEU HD23 H 1 0.575 0.005 . 2 . . . . . 27 LEU HD23 . 51855 1
273 . 1 . 1 27 27 LEU CA C 13 52.263 0.000 . 1 . . . . . 27 LEU CA . 51855 1
274 . 1 . 1 27 27 LEU CB C 13 42.236 0.000 . 1 . . . . . 27 LEU CB . 51855 1
275 . 1 . 1 27 27 LEU N N 15 118.613 0.031 . 1 . . . . . 27 LEU N . 51855 1
276 . 1 . 1 28 28 PRO HA H 1 4.320 0.004 . 1 . . . . . 28 PRO HA . 51855 1
277 . 1 . 1 28 28 PRO HB2 H 1 2.133 0.003 . 2 . . . . . 28 PRO HB2 . 51855 1
278 . 1 . 1 28 28 PRO HB3 H 1 1.999 0.005 . 2 . . . . . 28 PRO HB3 . 51855 1
279 . 1 . 1 28 28 PRO HG2 H 1 1.883 0.004 . 2 . . . . . 28 PRO HG2 . 51855 1
280 . 1 . 1 28 28 PRO HG3 H 1 1.781 0.003 . 2 . . . . . 28 PRO HG3 . 51855 1
281 . 1 . 1 28 28 PRO HD2 H 1 3.335 0.004 . 2 . . . . . 28 PRO HD2 . 51855 1
282 . 1 . 1 28 28 PRO HD3 H 1 3.636 0.004 . 2 . . . . . 28 PRO HD3 . 51855 1
283 . 1 . 1 28 28 PRO CA C 13 64.150 0.037 . 1 . . . . . 28 PRO CA . 51855 1
284 . 1 . 1 28 28 PRO CB C 13 32.367 0.060 . 1 . . . . . 28 PRO CB . 51855 1
285 . 1 . 1 28 28 PRO CG C 13 26.960 0.000 . 1 . . . . . 28 PRO CG . 51855 1
286 . 1 . 1 28 28 PRO CD C 13 50.571 0.000 . 1 . . . . . 28 PRO CD . 51855 1
287 . 1 . 1 29 29 SER H H 1 6.714 0.011 . 1 . . . . . 29 SER H . 51855 1
288 . 1 . 1 29 29 SER HA H 1 4.649 0.018 . 1 . . . . . 29 SER HA . 51855 1
289 . 1 . 1 29 29 SER CA C 13 56.462 0.104 . 1 . . . . . 29 SER CA . 51855 1
290 . 1 . 1 29 29 SER CB C 13 66.107 0.065 . 1 . . . . . 29 SER CB . 51855 1
291 . 1 . 1 29 29 SER N N 15 108.545 0.024 . 1 . . . . . 29 SER N . 51855 1
292 . 1 . 1 30 30 ARG H H 1 9.021 0.023 . 1 . . . . . 30 ARG H . 51855 1
293 . 1 . 1 30 30 ARG HA H 1 3.771 0.006 . 1 . . . . . 30 ARG HA . 51855 1
294 . 1 . 1 30 30 ARG HB2 H 1 1.780 0.016 . 2 . . . . . 30 ARG HB2 . 51855 1
295 . 1 . 1 30 30 ARG HB3 H 1 1.797 0.005 . 2 . . . . . 30 ARG HB3 . 51855 1
296 . 1 . 1 30 30 ARG HG2 H 1 1.472 0.007 . 1 . . . . . 30 ARG HG2 . 51855 1
297 . 1 . 1 30 30 ARG HG3 H 1 1.472 0.007 . 1 . . . . . 30 ARG HG3 . 51855 1
298 . 1 . 1 30 30 ARG HD2 H 1 3.186 0.003 . 2 . . . . . 30 ARG HD2 . 51855 1
299 . 1 . 1 30 30 ARG HD3 H 1 2.590 0.003 . 2 . . . . . 30 ARG HD3 . 51855 1
300 . 1 . 1 30 30 ARG HE H 1 9.732 0.006 . 1 . . . . . 30 ARG HE . 51855 1
301 . 1 . 1 30 30 ARG CA C 13 60.553 0.056 . 1 . . . . . 30 ARG CA . 51855 1
302 . 1 . 1 30 30 ARG CB C 13 30.963 0.048 . 1 . . . . . 30 ARG CB . 51855 1
303 . 1 . 1 30 30 ARG CG C 13 28.754 0.065 . 1 . . . . . 30 ARG CG . 51855 1
304 . 1 . 1 30 30 ARG CD C 13 43.704 0.012 . 1 . . . . . 30 ARG CD . 51855 1
305 . 1 . 1 30 30 ARG N N 15 119.741 0.044 . 1 . . . . . 30 ARG N . 51855 1
306 . 1 . 1 30 30 ARG NE N 15 84.715 0.003 . 1 . . . . . 30 ARG NE . 51855 1
307 . 1 . 1 31 31 SER H H 1 8.360 0.009 . 1 . . . . . 31 SER H . 51855 1
308 . 1 . 1 31 31 SER HA H 1 4.613 0.008 . 1 . . . . . 31 SER HA . 51855 1
309 . 1 . 1 31 31 SER HB2 H 1 4.510 0.000 . 1 . . . . . 31 SER HB2 . 51855 1
310 . 1 . 1 31 31 SER HB3 H 1 4.510 0.000 . 1 . . . . . 31 SER HB3 . 51855 1
311 . 1 . 1 31 31 SER CA C 13 63.521 0.064 . 1 . . . . . 31 SER CA . 51855 1
312 . 1 . 1 31 31 SER CB C 13 62.416 0.079 . 1 . . . . . 31 SER CB . 51855 1
313 . 1 . 1 31 31 SER N N 15 115.236 0.067 . 1 . . . . . 31 SER N . 51855 1
314 . 1 . 1 32 32 ALA H H 1 7.944 0.007 . 1 . . . . . 32 ALA H . 51855 1
315 . 1 . 1 32 32 ALA HA H 1 4.176 0.003 . 1 . . . . . 32 ALA HA . 51855 1
316 . 1 . 1 32 32 ALA HB1 H 1 1.421 0.003 . 1 . . . . . 32 ALA HB1 . 51855 1
317 . 1 . 1 32 32 ALA HB2 H 1 1.421 0.003 . 1 . . . . . 32 ALA HB2 . 51855 1
318 . 1 . 1 32 32 ALA HB3 H 1 1.421 0.003 . 1 . . . . . 32 ALA HB3 . 51855 1
319 . 1 . 1 32 32 ALA CA C 13 54.602 0.029 . 1 . . . . . 32 ALA CA . 51855 1
320 . 1 . 1 32 32 ALA CB C 13 18.569 0.030 . 1 . . . . . 32 ALA CB . 51855 1
321 . 1 . 1 32 32 ALA N N 15 123.761 0.010 . 1 . . . . . 32 ALA N . 51855 1
322 . 1 . 1 33 33 GLY H H 1 7.661 0.008 . 1 . . . . . 33 GLY H . 51855 1
323 . 1 . 1 33 33 GLY HA2 H 1 3.599 0.008 . 2 . . . . . 33 GLY HA2 . 51855 1
324 . 1 . 1 33 33 GLY HA3 H 1 3.397 0.006 . 2 . . . . . 33 GLY HA3 . 51855 1
325 . 1 . 1 33 33 GLY CA C 13 47.500 0.010 . 1 . . . . . 33 GLY CA . 51855 1
326 . 1 . 1 33 33 GLY N N 15 104.489 0.018 . 1 . . . . . 33 GLY N . 51855 1
327 . 1 . 1 34 34 LEU H H 1 8.030 0.005 . 1 . . . . . 34 LEU H . 51855 1
328 . 1 . 1 34 34 LEU HA H 1 3.838 0.006 . 1 . . . . . 34 LEU HA . 51855 1
329 . 1 . 1 34 34 LEU HB2 H 1 1.857 0.005 . 1 . . . . . 34 LEU HB2 . 51855 1
330 . 1 . 1 34 34 LEU HB3 H 1 1.857 0.005 . 1 . . . . . 34 LEU HB3 . 51855 1
331 . 1 . 1 34 34 LEU HG H 1 1.169 0.010 . 1 . . . . . 34 LEU HG . 51855 1
332 . 1 . 1 34 34 LEU HD11 H 1 0.772 0.003 . 2 . . . . . 34 LEU HD11 . 51855 1
333 . 1 . 1 34 34 LEU HD12 H 1 0.772 0.003 . 2 . . . . . 34 LEU HD12 . 51855 1
334 . 1 . 1 34 34 LEU HD13 H 1 0.772 0.003 . 2 . . . . . 34 LEU HD13 . 51855 1
335 . 1 . 1 34 34 LEU HD21 H 1 0.652 0.004 . 2 . . . . . 34 LEU HD21 . 51855 1
336 . 1 . 1 34 34 LEU HD22 H 1 0.652 0.004 . 2 . . . . . 34 LEU HD22 . 51855 1
337 . 1 . 1 34 34 LEU HD23 H 1 0.652 0.004 . 2 . . . . . 34 LEU HD23 . 51855 1
338 . 1 . 1 34 34 LEU CA C 13 57.390 0.017 . 1 . . . . . 34 LEU CA . 51855 1
339 . 1 . 1 34 34 LEU CB C 13 41.507 0.076 . 1 . . . . . 34 LEU CB . 51855 1
340 . 1 . 1 34 34 LEU CG C 13 26.197 0.000 . 1 . . . . . 34 LEU CG . 51855 1
341 . 1 . 1 34 34 LEU CD1 C 13 24.179 0.000 . 1 . . . . . 34 LEU CD1 . 51855 1
342 . 1 . 1 34 34 LEU CD2 C 13 24.179 0.000 . 1 . . . . . 34 LEU CD2 . 51855 1
343 . 1 . 1 34 34 LEU N N 15 121.496 0.007 . 1 . . . . . 34 LEU N . 51855 1
344 . 1 . 1 35 35 GLN H H 1 8.023 0.006 . 1 . . . . . 35 GLN H . 51855 1
345 . 1 . 1 35 35 GLN HA H 1 3.577 0.005 . 1 . . . . . 35 GLN HA . 51855 1
346 . 1 . 1 35 35 GLN HB2 H 1 2.126 0.007 . 2 . . . . . 35 GLN HB2 . 51855 1
347 . 1 . 1 35 35 GLN HB3 H 1 2.045 0.004 . 2 . . . . . 35 GLN HB3 . 51855 1
348 . 1 . 1 35 35 GLN HG2 H 1 2.462 0.008 . 2 . . . . . 35 GLN HG2 . 51855 1
349 . 1 . 1 35 35 GLN HG3 H 1 2.221 0.005 . 2 . . . . . 35 GLN HG3 . 51855 1
350 . 1 . 1 35 35 GLN HE21 H 1 6.649 0.005 . 1 . . . . . 35 GLN HE21 . 51855 1
351 . 1 . 1 35 35 GLN HE22 H 1 7.907 0.004 . 1 . . . . . 35 GLN HE22 . 51855 1
352 . 1 . 1 35 35 GLN CA C 13 59.896 0.036 . 1 . . . . . 35 GLN CA . 51855 1
353 . 1 . 1 35 35 GLN CB C 13 28.302 0.032 . 1 . . . . . 35 GLN CB . 51855 1
354 . 1 . 1 35 35 GLN CG C 13 34.300 0.066 . 1 . . . . . 35 GLN CG . 51855 1
355 . 1 . 1 35 35 GLN N N 15 118.034 0.082 . 1 . . . . . 35 GLN N . 51855 1
356 . 1 . 1 35 35 GLN NE2 N 15 111.962 0.029 . 1 . . . . . 35 GLN NE2 . 51855 1
357 . 1 . 1 36 36 HIS H H 1 7.655 0.013 . 1 . . . . . 36 HIS H . 51855 1
358 . 1 . 1 36 36 HIS HA H 1 3.979 0.005 . 1 . . . . . 36 HIS HA . 51855 1
359 . 1 . 1 36 36 HIS HB2 H 1 3.208 0.005 . 2 . . . . . 36 HIS HB2 . 51855 1
360 . 1 . 1 36 36 HIS HB3 H 1 2.998 0.004 . 2 . . . . . 36 HIS HB3 . 51855 1
361 . 1 . 1 36 36 HIS HD2 H 1 6.728 0.005 . 1 . . . . . 36 HIS HD2 . 51855 1
362 . 1 . 1 36 36 HIS HE1 H 1 7.682 0.005 . 1 . . . . . 36 HIS HE1 . 51855 1
363 . 1 . 1 36 36 HIS CA C 13 59.947 0.010 . 1 . . . . . 36 HIS CA . 51855 1
364 . 1 . 1 36 36 HIS CB C 13 30.649 0.041 . 1 . . . . . 36 HIS CB . 51855 1
365 . 1 . 1 36 36 HIS N N 15 117.102 0.066 . 1 . . . . . 36 HIS N . 51855 1
366 . 1 . 1 37 37 ALA H H 1 7.890 0.008 . 1 . . . . . 37 ALA H . 51855 1
367 . 1 . 1 37 37 ALA HA H 1 3.605 0.005 . 1 . . . . . 37 ALA HA . 51855 1
368 . 1 . 1 37 37 ALA HB1 H 1 1.088 0.004 . 1 . . . . . 37 ALA HB1 . 51855 1
369 . 1 . 1 37 37 ALA HB2 H 1 1.088 0.004 . 1 . . . . . 37 ALA HB2 . 51855 1
370 . 1 . 1 37 37 ALA HB3 H 1 1.088 0.004 . 1 . . . . . 37 ALA HB3 . 51855 1
371 . 1 . 1 37 37 ALA CA C 13 54.437 0.027 . 1 . . . . . 37 ALA CA . 51855 1
372 . 1 . 1 37 37 ALA CB C 13 17.474 0.042 . 1 . . . . . 37 ALA CB . 51855 1
373 . 1 . 1 37 37 ALA N N 15 120.526 0.014 . 1 . . . . . 37 ALA N . 51855 1
374 . 1 . 1 38 38 ILE H H 1 7.756 0.007 . 1 . . . . . 38 ILE H . 51855 1
375 . 1 . 1 38 38 ILE HA H 1 3.237 0.007 . 1 . . . . . 38 ILE HA . 51855 1
376 . 1 . 1 38 38 ILE HB H 1 1.685 0.008 . 1 . . . . . 38 ILE HB . 51855 1
377 . 1 . 1 38 38 ILE HG12 H 1 0.750 0.003 . 1 . . . . . 38 ILE HG12 . 51855 1
378 . 1 . 1 38 38 ILE HG13 H 1 0.750 0.003 . 1 . . . . . 38 ILE HG13 . 51855 1
379 . 1 . 1 38 38 ILE HG21 H 1 0.598 0.003 . 1 . . . . . 38 ILE HG21 . 51855 1
380 . 1 . 1 38 38 ILE HG22 H 1 0.598 0.003 . 1 . . . . . 38 ILE HG22 . 51855 1
381 . 1 . 1 38 38 ILE HG23 H 1 0.598 0.003 . 1 . . . . . 38 ILE HG23 . 51855 1
382 . 1 . 1 38 38 ILE HD11 H 1 0.484 0.006 . 1 . . . . . 38 ILE HD11 . 51855 1
383 . 1 . 1 38 38 ILE HD12 H 1 0.484 0.006 . 1 . . . . . 38 ILE HD12 . 51855 1
384 . 1 . 1 38 38 ILE HD13 H 1 0.484 0.006 . 1 . . . . . 38 ILE HD13 . 51855 1
385 . 1 . 1 38 38 ILE CA C 13 64.072 0.059 . 1 . . . . . 38 ILE CA . 51855 1
386 . 1 . 1 38 38 ILE CB C 13 38.175 0.047 . 1 . . . . . 38 ILE CB . 51855 1
387 . 1 . 1 38 38 ILE CG1 C 13 26.914 0.000 . 1 . . . . . 38 ILE CG1 . 51855 1
388 . 1 . 1 38 38 ILE CG2 C 13 18.289 0.000 . 1 . . . . . 38 ILE CG2 . 51855 1
389 . 1 . 1 38 38 ILE CD1 C 13 14.971 0.000 . 1 . . . . . 38 ILE CD1 . 51855 1
390 . 1 . 1 38 38 ILE N N 15 114.704 0.039 . 1 . . . . . 38 ILE N . 51855 1
391 . 1 . 1 39 39 ARG H H 1 7.234 0.009 . 1 . . . . . 39 ARG H . 51855 1
392 . 1 . 1 39 39 ARG HA H 1 3.754 0.004 . 1 . . . . . 39 ARG HA . 51855 1
393 . 1 . 1 39 39 ARG HB2 H 1 1.750 0.009 . 2 . . . . . 39 ARG HB2 . 51855 1
394 . 1 . 1 39 39 ARG HB3 H 1 1.668 0.006 . 2 . . . . . 39 ARG HB3 . 51855 1
395 . 1 . 1 39 39 ARG HG2 H 1 1.494 0.004 . 1 . . . . . 39 ARG HG2 . 51855 1
396 . 1 . 1 39 39 ARG HG3 H 1 1.494 0.004 . 1 . . . . . 39 ARG HG3 . 51855 1
397 . 1 . 1 39 39 ARG HD2 H 1 2.938 0.004 . 2 . . . . . 39 ARG HD2 . 51855 1
398 . 1 . 1 39 39 ARG HD3 H 1 2.843 0.005 . 2 . . . . . 39 ARG HD3 . 51855 1
399 . 1 . 1 39 39 ARG HE H 1 7.650 0.004 . 1 . . . . . 39 ARG HE . 51855 1
400 . 1 . 1 39 39 ARG CA C 13 58.929 0.012 . 1 . . . . . 39 ARG CA . 51855 1
401 . 1 . 1 39 39 ARG CB C 13 29.742 0.053 . 1 . . . . . 39 ARG CB . 51855 1
402 . 1 . 1 39 39 ARG CG C 13 27.789 0.017 . 1 . . . . . 39 ARG CG . 51855 1
403 . 1 . 1 39 39 ARG CD C 13 43.424 0.042 . 1 . . . . . 39 ARG CD . 51855 1
404 . 1 . 1 39 39 ARG N N 15 116.373 0.042 . 1 . . . . . 39 ARG N . 51855 1
405 . 1 . 1 39 39 ARG NE N 15 85.011 0.079 . 1 . . . . . 39 ARG NE . 51855 1
406 . 1 . 1 40 40 VAL H H 1 7.203 0.013 . 1 . . . . . 40 VAL H . 51855 1
407 . 1 . 1 40 40 VAL HA H 1 3.958 0.005 . 1 . . . . . 40 VAL HA . 51855 1
408 . 1 . 1 40 40 VAL HB H 1 2.108 0.005 . 1 . . . . . 40 VAL HB . 51855 1
409 . 1 . 1 40 40 VAL HG11 H 1 0.726 0.004 . 2 . . . . . 40 VAL HG11 . 51855 1
410 . 1 . 1 40 40 VAL HG12 H 1 0.726 0.004 . 2 . . . . . 40 VAL HG12 . 51855 1
411 . 1 . 1 40 40 VAL HG13 H 1 0.726 0.004 . 2 . . . . . 40 VAL HG13 . 51855 1
412 . 1 . 1 40 40 VAL HG21 H 1 0.705 0.008 . 2 . . . . . 40 VAL HG21 . 51855 1
413 . 1 . 1 40 40 VAL HG22 H 1 0.705 0.008 . 2 . . . . . 40 VAL HG22 . 51855 1
414 . 1 . 1 40 40 VAL HG23 H 1 0.705 0.008 . 2 . . . . . 40 VAL HG23 . 51855 1
415 . 1 . 1 40 40 VAL CA C 13 62.516 0.020 . 1 . . . . . 40 VAL CA . 51855 1
416 . 1 . 1 40 40 VAL CB C 13 31.229 0.079 . 1 . . . . . 40 VAL CB . 51855 1
417 . 1 . 1 40 40 VAL CG1 C 13 21.154 0.000 . 2 . . . . . 40 VAL CG1 . 51855 1
418 . 1 . 1 40 40 VAL CG2 C 13 20.280 0.000 . 2 . . . . . 40 VAL CG2 . 51855 1
419 . 1 . 1 40 40 VAL N N 15 113.466 0.054 . 1 . . . . . 40 VAL N . 51855 1
420 . 1 . 1 41 41 LEU H H 1 7.286 0.007 . 1 . . . . . 41 LEU H . 51855 1
421 . 1 . 1 41 41 LEU HA H 1 3.845 0.004 . 1 . . . . . 41 LEU HA . 51855 1
422 . 1 . 1 41 41 LEU HB2 H 1 1.389 0.004 . 2 . . . . . 41 LEU HB2 . 51855 1
423 . 1 . 1 41 41 LEU HB3 H 1 1.599 0.003 . 2 . . . . . 41 LEU HB3 . 51855 1
424 . 1 . 1 41 41 LEU HG H 1 1.059 0.005 . 1 . . . . . 41 LEU HG . 51855 1
425 . 1 . 1 41 41 LEU HD11 H 1 -0.074 0.004 . 2 . . . . . 41 LEU HD11 . 51855 1
426 . 1 . 1 41 41 LEU HD12 H 1 -0.074 0.004 . 2 . . . . . 41 LEU HD12 . 51855 1
427 . 1 . 1 41 41 LEU HD13 H 1 -0.074 0.004 . 2 . . . . . 41 LEU HD13 . 51855 1
428 . 1 . 1 41 41 LEU HD21 H 1 0.313 0.003 . 2 . . . . . 41 LEU HD21 . 51855 1
429 . 1 . 1 41 41 LEU HD22 H 1 0.313 0.003 . 2 . . . . . 41 LEU HD22 . 51855 1
430 . 1 . 1 41 41 LEU HD23 H 1 0.313 0.003 . 2 . . . . . 41 LEU HD23 . 51855 1
431 . 1 . 1 41 41 LEU CA C 13 55.133 0.011 . 1 . . . . . 41 LEU CA . 51855 1
432 . 1 . 1 41 41 LEU CB C 13 40.979 0.018 . 1 . . . . . 41 LEU CB . 51855 1
433 . 1 . 1 41 41 LEU CG C 13 25.686 0.000 . 1 . . . . . 41 LEU CG . 51855 1
434 . 1 . 1 41 41 LEU CD1 C 13 24.652 0.000 . 2 . . . . . 41 LEU CD1 . 51855 1
435 . 1 . 1 41 41 LEU CD2 C 13 20.911 0.000 . 2 . . . . . 41 LEU CD2 . 51855 1
436 . 1 . 1 41 41 LEU N N 15 120.771 0.018 . 1 . . . . . 41 LEU N . 51855 1
437 . 1 . 1 42 42 ARG H H 1 7.439 0.007 . 1 . . . . . 42 ARG H . 51855 1
438 . 1 . 1 42 42 ARG HA H 1 4.103 0.007 . 1 . . . . . 42 ARG HA . 51855 1
439 . 1 . 1 42 42 ARG HB2 H 1 1.583 0.006 . 2 . . . . . 42 ARG HB2 . 51855 1
440 . 1 . 1 42 42 ARG HB3 H 1 1.535 0.007 . 2 . . . . . 42 ARG HB3 . 51855 1
441 . 1 . 1 42 42 ARG HG2 H 1 1.400 0.005 . 1 . . . . . 42 ARG HG2 . 51855 1
442 . 1 . 1 42 42 ARG HG3 H 1 1.400 0.005 . 1 . . . . . 42 ARG HG3 . 51855 1
443 . 1 . 1 42 42 ARG HD2 H 1 3.018 0.009 . 2 . . . . . 42 ARG HD2 . 51855 1
444 . 1 . 1 42 42 ARG HD3 H 1 3.016 0.012 . 2 . . . . . 42 ARG HD3 . 51855 1
445 . 1 . 1 42 42 ARG HE H 1 7.025 0.005 . 1 . . . . . 42 ARG HE . 51855 1
446 . 1 . 1 42 42 ARG CA C 13 56.320 0.025 . 1 . . . . . 42 ARG CA . 51855 1
447 . 1 . 1 42 42 ARG CB C 13 31.330 0.049 . 1 . . . . . 42 ARG CB . 51855 1
448 . 1 . 1 42 42 ARG CG C 13 27.003 0.009 . 1 . . . . . 42 ARG CG . 51855 1
449 . 1 . 1 42 42 ARG CD C 13 43.399 0.042 . 1 . . . . . 42 ARG CD . 51855 1
450 . 1 . 1 42 42 ARG N N 15 120.461 0.028 . 1 . . . . . 42 ARG N . 51855 1
451 . 1 . 1 42 42 ARG NE N 15 84.346 0.094 . 1 . . . . . 42 ARG NE . 51855 1
452 . 1 . 1 43 43 TYR H H 1 7.530 0.008 . 1 . . . . . 43 TYR H . 51855 1
453 . 1 . 1 43 43 TYR HA H 1 4.283 0.004 . 1 . . . . . 43 TYR HA . 51855 1
454 . 1 . 1 43 43 TYR HB2 H 1 2.885 0.006 . 2 . . . . . 43 TYR HB2 . 51855 1
455 . 1 . 1 43 43 TYR HB3 H 1 2.797 0.003 . 2 . . . . . 43 TYR HB3 . 51855 1
456 . 1 . 1 43 43 TYR HD1 H 1 6.914 0.003 . 1 . . . . . 43 TYR HD1 . 51855 1
457 . 1 . 1 43 43 TYR HD2 H 1 6.914 0.003 . 1 . . . . . 43 TYR HD2 . 51855 1
458 . 1 . 1 43 43 TYR HE1 H 1 6.635 0.005 . 1 . . . . . 43 TYR HE1 . 51855 1
459 . 1 . 1 43 43 TYR HE2 H 1 6.635 0.005 . 1 . . . . . 43 TYR HE2 . 51855 1
460 . 1 . 1 43 43 TYR CA C 13 59.126 0.000 . 1 . . . . . 43 TYR CA . 51855 1
461 . 1 . 1 43 43 TYR CB C 13 39.384 0.000 . 1 . . . . . 43 TYR CB . 51855 1
462 . 1 . 1 43 43 TYR N N 15 126.037 0.013 . 1 . . . . . 43 TYR N . 51855 1
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