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 51857
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Assigned chemical shifts for the major conformer of MazE9'
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_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' . . . 51857 1
2 '2D 1H-1H NOESY' . . . 51857 1
3 '2D 1H-15N HSQC' . . . 51857 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
2 $software_2 . . 51857 1
3 $software_3 . . 51857 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 MET H H 1 8.523 0.010 . 1 . . . . . 4 MET H . 51857 1
2 . 1 . 1 1 1 MET HA H 1 4.508 0.009 . 1 . . . . . 4 MET HA . 51857 1
3 . 1 . 1 1 1 MET HB2 H 1 1.784 0.017 . 2 . . . . . 4 MET HB2 . 51857 1
4 . 1 . 1 1 1 MET HB3 H 1 1.781 0.013 . 2 . . . . . 4 MET HB3 . 51857 1
5 . 1 . 1 1 1 MET HG2 H 1 2.164 0.008 . 2 . . . . . 4 MET HG2 . 51857 1
6 . 1 . 1 1 1 MET HG3 H 1 2.160 0.007 . 2 . . . . . 4 MET HG3 . 51857 1
7 . 1 . 1 1 1 MET HE1 H 1 1.883 0.007 . 1 . . . . . 4 MET HE1 . 51857 1
8 . 1 . 1 1 1 MET HE2 H 1 1.883 0.007 . 1 . . . . . 4 MET HE2 . 51857 1
9 . 1 . 1 1 1 MET HE3 H 1 1.883 0.007 . 1 . . . . . 4 MET HE3 . 51857 1
10 . 1 . 1 1 1 MET C C 13 173.689 0.006 . 1 . . . . . 4 MET C . 51857 1
11 . 1 . 1 1 1 MET CA C 13 54.844 0.036 . 1 . . . . . 4 MET CA . 51857 1
12 . 1 . 1 1 1 MET CB C 13 35.529 0.092 . 1 . . . . . 4 MET CB . 51857 1
13 . 1 . 1 1 1 MET CG C 13 31.020 0.051 . 1 . . . . . 4 MET CG . 51857 1
14 . 1 . 1 1 1 MET CE C 13 16.884 0.078 . 1 . . . . . 4 MET CE . 51857 1
15 . 1 . 1 1 1 MET N N 15 118.622 0.084 . 1 . . . . . 4 MET N . 51857 1
16 . 1 . 1 2 2 LYS H H 1 8.293 0.007 . 1 . . . . . 5 LYS H . 51857 1
17 . 1 . 1 2 2 LYS HA H 1 4.863 0.017 . 1 . . . . . 5 LYS HA . 51857 1
18 . 1 . 1 2 2 LYS HB2 H 1 1.416 0.000 . 1 . . . . . 5 LYS HB2 . 51857 1
19 . 1 . 1 2 2 LYS HB3 H 1 1.416 0.000 . 1 . . . . . 5 LYS HB3 . 51857 1
20 . 1 . 1 2 2 LYS HG2 H 1 1.083 0.028 . 2 . . . . . 5 LYS HG2 . 51857 1
21 . 1 . 1 2 2 LYS HG3 H 1 1.147 0.023 . 2 . . . . . 5 LYS HG3 . 51857 1
22 . 1 . 1 2 2 LYS HD2 H 1 1.453 0.016 . 2 . . . . . 5 LYS HD2 . 51857 1
23 . 1 . 1 2 2 LYS HD3 H 1 1.450 0.018 . 2 . . . . . 5 LYS HD3 . 51857 1
24 . 1 . 1 2 2 LYS HE2 H 1 2.843 0.504 . 2 . . . . . 5 LYS HE2 . 51857 1
25 . 1 . 1 2 2 LYS HE3 H 1 2.880 0.550 . 2 . . . . . 5 LYS HE3 . 51857 1
26 . 1 . 1 2 2 LYS C C 13 175.480 0.008 . 1 . . . . . 5 LYS C . 51857 1
27 . 1 . 1 2 2 LYS CA C 13 55.024 0.070 . 1 . . . . . 5 LYS CA . 51857 1
28 . 1 . 1 2 2 LYS CB C 13 33.148 0.047 . 1 . . . . . 5 LYS CB . 51857 1
29 . 1 . 1 2 2 LYS CG C 13 24.761 0.021 . 1 . . . . . 5 LYS CG . 51857 1
30 . 1 . 1 2 2 LYS CD C 13 29.149 0.000 . 1 . . . . . 5 LYS CD . 51857 1
31 . 1 . 1 2 2 LYS CE C 13 41.761 0.035 . 1 . . . . . 5 LYS CE . 51857 1
32 . 1 . 1 2 2 LYS N N 15 123.352 0.064 . 1 . . . . . 5 LYS N . 51857 1
33 . 1 . 1 3 3 LEU H H 1 8.712 0.011 . 1 . . . . . 6 LEU H . 51857 1
34 . 1 . 1 3 3 LEU HA H 1 4.524 0.011 . 1 . . . . . 6 LEU HA . 51857 1
35 . 1 . 1 3 3 LEU HB2 H 1 1.467 0.437 . 2 . . . . . 6 LEU HB2 . 51857 1
36 . 1 . 1 3 3 LEU HB3 H 1 1.338 0.000 . 2 . . . . . 6 LEU HB3 . 51857 1
37 . 1 . 1 3 3 LEU HG H 1 1.176 0.005 . 1 . . . . . 6 LEU HG . 51857 1
38 . 1 . 1 3 3 LEU HD11 H 1 0.622 0.006 . 2 . . . . . 6 LEU HD11 . 51857 1
39 . 1 . 1 3 3 LEU HD12 H 1 0.622 0.006 . 2 . . . . . 6 LEU HD12 . 51857 1
40 . 1 . 1 3 3 LEU HD13 H 1 0.622 0.006 . 2 . . . . . 6 LEU HD13 . 51857 1
41 . 1 . 1 3 3 LEU HD21 H 1 0.625 0.004 . 2 . . . . . 6 LEU HD21 . 51857 1
42 . 1 . 1 3 3 LEU HD22 H 1 0.625 0.004 . 2 . . . . . 6 LEU HD22 . 51857 1
43 . 1 . 1 3 3 LEU HD23 H 1 0.625 0.004 . 2 . . . . . 6 LEU HD23 . 51857 1
44 . 1 . 1 3 3 LEU C C 13 175.078 0.003 . 1 . . . . . 6 LEU C . 51857 1
45 . 1 . 1 3 3 LEU CA C 13 53.634 0.054 . 1 . . . . . 6 LEU CA . 51857 1
46 . 1 . 1 3 3 LEU CB C 13 45.311 0.105 . 1 . . . . . 6 LEU CB . 51857 1
47 . 1 . 1 3 3 LEU CG C 13 27.137 0.014 . 1 . . . . . 6 LEU CG . 51857 1
48 . 1 . 1 3 3 LEU CD1 C 13 25.413 0.062 . 2 . . . . . 6 LEU CD1 . 51857 1
49 . 1 . 1 3 3 LEU CD2 C 13 25.607 0.132 . 2 . . . . . 6 LEU CD2 . 51857 1
50 . 1 . 1 3 3 LEU N N 15 125.664 0.067 . 1 . . . . . 6 LEU N . 51857 1
51 . 1 . 1 4 4 SER H H 1 8.254 0.007 . 1 . . . . . 7 SER H . 51857 1
52 . 1 . 1 4 4 SER HA H 1 5.152 0.006 . 1 . . . . . 7 SER HA . 51857 1
53 . 1 . 1 4 4 SER HB2 H 1 3.476 0.007 . 2 . . . . . 7 SER HB2 . 51857 1
54 . 1 . 1 4 4 SER HB3 H 1 3.474 0.006 . 2 . . . . . 7 SER HB3 . 51857 1
55 . 1 . 1 4 4 SER C C 13 173.739 0.004 . 1 . . . . . 7 SER C . 51857 1
56 . 1 . 1 4 4 SER CA C 13 56.829 0.080 . 1 . . . . . 7 SER CA . 51857 1
57 . 1 . 1 4 4 SER CB C 13 64.037 0.074 . 1 . . . . . 7 SER CB . 51857 1
58 . 1 . 1 4 4 SER N N 15 117.363 0.077 . 1 . . . . . 7 SER N . 51857 1
59 . 1 . 1 5 5 VAL H H 1 8.816 0.007 . 1 . . . . . 8 VAL H . 51857 1
60 . 1 . 1 5 5 VAL HA H 1 4.341 0.005 . 1 . . . . . 8 VAL HA . 51857 1
61 . 1 . 1 5 5 VAL HB H 1 1.871 0.391 . 1 . . . . . 8 VAL HB . 51857 1
62 . 1 . 1 5 5 VAL HG11 H 1 0.640 0.009 . 2 . . . . . 8 VAL HG11 . 51857 1
63 . 1 . 1 5 5 VAL HG12 H 1 0.640 0.009 . 2 . . . . . 8 VAL HG12 . 51857 1
64 . 1 . 1 5 5 VAL HG13 H 1 0.640 0.009 . 2 . . . . . 8 VAL HG13 . 51857 1
65 . 1 . 1 5 5 VAL HG21 H 1 0.641 0.003 . 2 . . . . . 8 VAL HG21 . 51857 1
66 . 1 . 1 5 5 VAL HG22 H 1 0.641 0.003 . 2 . . . . . 8 VAL HG22 . 51857 1
67 . 1 . 1 5 5 VAL HG23 H 1 0.641 0.003 . 2 . . . . . 8 VAL HG23 . 51857 1
68 . 1 . 1 5 5 VAL C C 13 173.271 0.016 . 1 . . . . . 8 VAL C . 51857 1
69 . 1 . 1 5 5 VAL CA C 13 59.544 0.077 . 1 . . . . . 8 VAL CA . 51857 1
70 . 1 . 1 5 5 VAL CB C 13 34.959 0.073 . 1 . . . . . 8 VAL CB . 51857 1
71 . 1 . 1 5 5 VAL CG1 C 13 20.609 0.116 . 1 . . . . . 8 VAL CG1 . 51857 1
72 . 1 . 1 5 5 VAL CG2 C 13 20.720 0.000 . 1 . . . . . 8 VAL CG2 . 51857 1
73 . 1 . 1 5 5 VAL N N 15 122.688 0.086 . 1 . . . . . 8 VAL N . 51857 1
74 . 1 . 1 6 6 SER H H 1 8.351 0.007 . 1 . . . . . 9 SER H . 51857 1
75 . 1 . 1 6 6 SER HA H 1 4.836 0.013 . 1 . . . . . 9 SER HA . 51857 1
76 . 1 . 1 6 6 SER HB2 H 1 3.509 0.029 . 2 . . . . . 9 SER HB2 . 51857 1
77 . 1 . 1 6 6 SER HB3 H 1 3.555 0.022 . 2 . . . . . 9 SER HB3 . 51857 1
78 . 1 . 1 6 6 SER C C 13 173.219 0.006 . 1 . . . . . 9 SER C . 51857 1
79 . 1 . 1 6 6 SER CA C 13 57.400 0.132 . 1 . . . . . 9 SER CA . 51857 1
80 . 1 . 1 6 6 SER CB C 13 63.397 0.050 . 1 . . . . . 9 SER CB . 51857 1
81 . 1 . 1 6 6 SER N N 15 121.526 0.080 . 1 . . . . . 9 SER N . 51857 1
82 . 1 . 1 7 7 LEU H H 1 8.509 0.009 . 1 . . . . . 10 LEU H . 51857 1
83 . 1 . 1 7 7 LEU HA H 1 4.794 0.023 . 1 . . . . . 10 LEU HA . 51857 1
84 . 1 . 1 7 7 LEU HB2 H 1 1.436 0.008 . 2 . . . . . 10 LEU HB2 . 51857 1
85 . 1 . 1 7 7 LEU HB3 H 1 1.443 0.002 . 2 . . . . . 10 LEU HB3 . 51857 1
86 . 1 . 1 7 7 LEU HD11 H 1 0.669 0.013 . 2 . . . . . 10 LEU HD11 . 51857 1
87 . 1 . 1 7 7 LEU HD12 H 1 0.669 0.013 . 2 . . . . . 10 LEU HD12 . 51857 1
88 . 1 . 1 7 7 LEU HD13 H 1 0.669 0.013 . 2 . . . . . 10 LEU HD13 . 51857 1
89 . 1 . 1 7 7 LEU HD21 H 1 0.769 0.000 . 2 . . . . . 10 LEU HD21 . 51857 1
90 . 1 . 1 7 7 LEU HD22 H 1 0.769 0.000 . 2 . . . . . 10 LEU HD22 . 51857 1
91 . 1 . 1 7 7 LEU HD23 H 1 0.769 0.000 . 2 . . . . . 10 LEU HD23 . 51857 1
92 . 1 . 1 7 7 LEU C C 13 176.311 0.010 . 1 . . . . . 10 LEU C . 51857 1
93 . 1 . 1 7 7 LEU CA C 13 52.749 0.037 . 1 . . . . . 10 LEU CA . 51857 1
94 . 1 . 1 7 7 LEU CB C 13 45.877 0.039 . 1 . . . . . 10 LEU CB . 51857 1
95 . 1 . 1 7 7 LEU CG C 13 26.563 0.065 . 1 . . . . . 10 LEU CG . 51857 1
96 . 1 . 1 7 7 LEU CD1 C 13 23.527 0.047 . 1 . . . . . 10 LEU CD1 . 51857 1
97 . 1 . 1 7 7 LEU CD2 C 13 23.564 0.022 . 1 . . . . . 10 LEU CD2 . 51857 1
98 . 1 . 1 7 7 LEU N N 15 125.048 0.067 . 1 . . . . . 10 LEU N . 51857 1
99 . 1 . 1 8 8 SER H H 1 9.421 0.008 . 1 . . . . . 11 SER H . 51857 1
100 . 1 . 1 8 8 SER HA H 1 4.441 0.016 . 1 . . . . . 11 SER HA . 51857 1
101 . 1 . 1 8 8 SER HB2 H 1 4.183 0.012 . 2 . . . . . 11 SER HB2 . 51857 1
102 . 1 . 1 8 8 SER HB3 H 1 3.816 0.026 . 2 . . . . . 11 SER HB3 . 51857 1
103 . 1 . 1 8 8 SER C C 13 174.674 0.000 . 1 . . . . . 11 SER C . 51857 1
104 . 1 . 1 8 8 SER CA C 13 57.201 0.078 . 1 . . . . . 11 SER CA . 51857 1
105 . 1 . 1 8 8 SER CB C 13 65.299 0.013 . 1 . . . . . 11 SER CB . 51857 1
106 . 1 . 1 8 8 SER N N 15 119.272 0.077 . 1 . . . . . 11 SER N . 51857 1
107 . 1 . 1 9 9 ASP H H 1 8.689 0.011 . 1 . . . . . 12 ASP H . 51857 1
108 . 1 . 1 9 9 ASP HA H 1 4.120 0.011 . 1 . . . . . 12 ASP HA . 51857 1
109 . 1 . 1 9 9 ASP HB2 H 1 2.691 0.611 . 2 . . . . . 12 ASP HB2 . 51857 1
110 . 1 . 1 9 9 ASP HB3 H 1 2.832 0.703 . 2 . . . . . 12 ASP HB3 . 51857 1
111 . 1 . 1 9 9 ASP C C 13 179.002 0.005 . 1 . . . . . 12 ASP C . 51857 1
112 . 1 . 1 9 9 ASP CA C 13 57.834 0.077 . 1 . . . . . 12 ASP CA . 51857 1
113 . 1 . 1 9 9 ASP CB C 13 40.106 0.028 . 1 . . . . . 12 ASP CB . 51857 1
114 . 1 . 1 9 9 ASP N N 15 120.542 0.072 . 1 . . . . . 12 ASP N . 51857 1
115 . 1 . 1 10 10 ASP H H 1 8.125 0.007 . 1 . . . . . 13 ASP H . 51857 1
116 . 1 . 1 10 10 ASP HA H 1 4.223 0.013 . 1 . . . . . 13 ASP HA . 51857 1
117 . 1 . 1 10 10 ASP HB2 H 1 2.597 0.574 . 2 . . . . . 13 ASP HB2 . 51857 1
118 . 1 . 1 10 10 ASP HB3 H 1 2.719 0.698 . 2 . . . . . 13 ASP HB3 . 51857 1
119 . 1 . 1 10 10 ASP C C 13 177.812 0.003 . 1 . . . . . 13 ASP C . 51857 1
120 . 1 . 1 10 10 ASP CA C 13 57.055 0.014 . 1 . . . . . 13 ASP CA . 51857 1
121 . 1 . 1 10 10 ASP CB C 13 40.733 0.036 . 1 . . . . . 13 ASP CB . 51857 1
122 . 1 . 1 10 10 ASP N N 15 119.550 0.068 . 1 . . . . . 13 ASP N . 51857 1
123 . 1 . 1 11 11 ASP H H 1 7.615 0.008 . 1 . . . . . 14 ASP H . 51857 1
124 . 1 . 1 11 11 ASP HA H 1 4.380 0.554 . 1 . . . . . 14 ASP HA . 51857 1
125 . 1 . 1 11 11 ASP HB2 H 1 3.004 0.404 . 2 . . . . . 14 ASP HB2 . 51857 1
126 . 1 . 1 11 11 ASP HB3 H 1 2.541 0.579 . 2 . . . . . 14 ASP HB3 . 51857 1
127 . 1 . 1 11 11 ASP C C 13 178.331 0.002 . 1 . . . . . 14 ASP C . 51857 1
128 . 1 . 1 11 11 ASP CA C 13 57.391 0.043 . 1 . . . . . 14 ASP CA . 51857 1
129 . 1 . 1 11 11 ASP CB C 13 41.608 0.084 . 1 . . . . . 14 ASP CB . 51857 1
130 . 1 . 1 11 11 ASP N N 15 120.710 0.085 . 1 . . . . . 14 ASP N . 51857 1
131 . 1 . 1 12 12 VAL H H 1 8.075 0.008 . 1 . . . . . 15 VAL H . 51857 1
132 . 1 . 1 12 12 VAL HA H 1 3.226 0.006 . 1 . . . . . 15 VAL HA . 51857 1
133 . 1 . 1 12 12 VAL HB H 1 1.917 0.013 . 1 . . . . . 15 VAL HB . 51857 1
134 . 1 . 1 12 12 VAL HG11 H 1 0.789 0.024 . 1 . . . . . 15 VAL HG11 . 51857 1
135 . 1 . 1 12 12 VAL HG12 H 1 0.789 0.024 . 1 . . . . . 15 VAL HG12 . 51857 1
136 . 1 . 1 12 12 VAL HG13 H 1 0.789 0.024 . 1 . . . . . 15 VAL HG13 . 51857 1
137 . 1 . 1 12 12 VAL C C 13 176.649 0.000 . 1 . . . . . 15 VAL C . 51857 1
138 . 1 . 1 12 12 VAL CA C 13 66.746 0.109 . 1 . . . . . 15 VAL CA . 51857 1
139 . 1 . 1 12 12 VAL CB C 13 31.446 0.097 . 1 . . . . . 15 VAL CB . 51857 1
140 . 1 . 1 12 12 VAL CG1 C 13 24.480 0.086 . 2 . . . . . 15 VAL CG1 . 51857 1
141 . 1 . 1 12 12 VAL CG2 C 13 21.526 0.000 . 2 . . . . . 15 VAL CG2 . 51857 1
142 . 1 . 1 12 12 VAL N N 15 119.191 0.078 . 1 . . . . . 15 VAL N . 51857 1
143 . 1 . 1 13 13 ALA H H 1 7.610 0.006 . 1 . . . . . 16 ALA H . 51857 1
144 . 1 . 1 13 13 ALA HA H 1 4.059 0.012 . 1 . . . . . 16 ALA HA . 51857 1
145 . 1 . 1 13 13 ALA HB1 H 1 1.386 0.004 . 1 . . . . . 16 ALA HB1 . 51857 1
146 . 1 . 1 13 13 ALA HB2 H 1 1.386 0.004 . 1 . . . . . 16 ALA HB2 . 51857 1
147 . 1 . 1 13 13 ALA HB3 H 1 1.386 0.004 . 1 . . . . . 16 ALA HB3 . 51857 1
148 . 1 . 1 13 13 ALA C C 13 175.556 0.000 . 1 . . . . . 16 ALA C . 51857 1
149 . 1 . 1 13 13 ALA CA C 13 55.325 0.030 . 1 . . . . . 16 ALA CA . 51857 1
150 . 1 . 1 13 13 ALA CB C 13 17.620 0.068 . 1 . . . . . 16 ALA CB . 51857 1
151 . 1 . 1 13 13 ALA N N 15 121.320 0.070 . 1 . . . . . 16 ALA N . 51857 1
152 . 1 . 1 14 14 ILE H H 1 7.553 0.010 . 1 . . . . . 17 ILE H . 51857 1
153 . 1 . 1 14 14 ILE HA H 1 3.542 0.005 . 1 . . . . . 17 ILE HA . 51857 1
154 . 1 . 1 14 14 ILE HB H 1 1.730 0.017 . 1 . . . . . 17 ILE HB . 51857 1
155 . 1 . 1 14 14 ILE HG12 H 1 1.643 0.019 . 2 . . . . . 17 ILE HG12 . 51857 1
156 . 1 . 1 14 14 ILE HG13 H 1 1.365 0.017 . 2 . . . . . 17 ILE HG13 . 51857 1
157 . 1 . 1 14 14 ILE HG21 H 1 0.870 0.000 . 1 . . . . . 17 ILE HG21 . 51857 1
158 . 1 . 1 14 14 ILE HG22 H 1 0.870 0.000 . 1 . . . . . 17 ILE HG22 . 51857 1
159 . 1 . 1 14 14 ILE HG23 H 1 0.870 0.000 . 1 . . . . . 17 ILE HG23 . 51857 1
160 . 1 . 1 14 14 ILE HD11 H 1 0.676 0.009 . 1 . . . . . 17 ILE HD11 . 51857 1
161 . 1 . 1 14 14 ILE HD12 H 1 0.676 0.009 . 1 . . . . . 17 ILE HD12 . 51857 1
162 . 1 . 1 14 14 ILE HD13 H 1 0.676 0.009 . 1 . . . . . 17 ILE HD13 . 51857 1
163 . 1 . 1 14 14 ILE C C 13 177.334 0.001 . 1 . . . . . 17 ILE C . 51857 1
164 . 1 . 1 14 14 ILE CA C 13 64.694 0.097 . 1 . . . . . 17 ILE CA . 51857 1
165 . 1 . 1 14 14 ILE CB C 13 38.017 0.018 . 1 . . . . . 17 ILE CB . 51857 1
166 . 1 . 1 14 14 ILE CG1 C 13 28.662 0.018 . 1 . . . . . 17 ILE CG1 . 51857 1
167 . 1 . 1 14 14 ILE CG2 C 13 18.415 0.000 . 1 . . . . . 17 ILE CG2 . 51857 1
168 . 1 . 1 14 14 ILE CD1 C 13 13.521 0.016 . 1 . . . . . 17 ILE CD1 . 51857 1
169 . 1 . 1 14 14 ILE N N 15 120.315 0.066 . 1 . . . . . 17 ILE N . 51857 1
170 . 1 . 1 15 15 LEU H H 1 8.005 0.006 . 1 . . . . . 18 LEU H . 51857 1
171 . 1 . 1 15 15 LEU HA H 1 3.844 0.012 . 1 . . . . . 18 LEU HA . 51857 1
172 . 1 . 1 15 15 LEU HG H 1 1.237 0.017 . 1 . . . . . 18 LEU HG . 51857 1
173 . 1 . 1 15 15 LEU HD11 H 1 0.764 0.012 . 2 . . . . . 18 LEU HD11 . 51857 1
174 . 1 . 1 15 15 LEU HD12 H 1 0.764 0.012 . 2 . . . . . 18 LEU HD12 . 51857 1
175 . 1 . 1 15 15 LEU HD13 H 1 0.764 0.012 . 2 . . . . . 18 LEU HD13 . 51857 1
176 . 1 . 1 15 15 LEU HD21 H 1 0.637 0.005 . 2 . . . . . 18 LEU HD21 . 51857 1
177 . 1 . 1 15 15 LEU HD22 H 1 0.637 0.005 . 2 . . . . . 18 LEU HD22 . 51857 1
178 . 1 . 1 15 15 LEU HD23 H 1 0.637 0.005 . 2 . . . . . 18 LEU HD23 . 51857 1
179 . 1 . 1 15 15 LEU C C 13 177.663 0.010 . 1 . . . . . 18 LEU C . 51857 1
180 . 1 . 1 15 15 LEU CA C 13 58.015 0.025 . 1 . . . . . 18 LEU CA . 51857 1
181 . 1 . 1 15 15 LEU CB C 13 42.164 0.016 . 1 . . . . . 18 LEU CB . 51857 1
182 . 1 . 1 15 15 LEU CG C 13 27.124 0.002 . 1 . . . . . 18 LEU CG . 51857 1
183 . 1 . 1 15 15 LEU CD1 C 13 22.207 0.035 . 2 . . . . . 18 LEU CD1 . 51857 1
184 . 1 . 1 15 15 LEU CD2 C 13 25.941 0.000 . 2 . . . . . 18 LEU CD2 . 51857 1
185 . 1 . 1 15 15 LEU N N 15 122.722 0.072 . 1 . . . . . 18 LEU N . 51857 1
186 . 1 . 1 16 16 ASP H H 1 9.215 0.009 . 1 . . . . . 19 ASP H . 51857 1
187 . 1 . 1 16 16 ASP HA H 1 4.194 0.019 . 1 . . . . . 19 ASP HA . 51857 1
188 . 1 . 1 16 16 ASP HB2 H 1 2.681 0.473 . 2 . . . . . 19 ASP HB2 . 51857 1
189 . 1 . 1 16 16 ASP HB3 H 1 2.419 0.343 . 2 . . . . . 19 ASP HB3 . 51857 1
190 . 1 . 1 16 16 ASP C C 13 179.555 0.002 . 1 . . . . . 19 ASP C . 51857 1
191 . 1 . 1 16 16 ASP CA C 13 57.179 0.048 . 1 . . . . . 19 ASP CA . 51857 1
192 . 1 . 1 16 16 ASP CB C 13 39.301 0.071 . 1 . . . . . 19 ASP CB . 51857 1
193 . 1 . 1 16 16 ASP N N 15 119.342 0.061 . 1 . . . . . 19 ASP N . 51857 1
194 . 1 . 1 17 17 ALA H H 1 7.782 0.007 . 1 . . . . . 20 ALA H . 51857 1
195 . 1 . 1 17 17 ALA HA H 1 3.719 0.026 . 1 . . . . . 20 ALA HA . 51857 1
196 . 1 . 1 17 17 ALA HB1 H 1 1.393 0.009 . 1 . . . . . 20 ALA HB1 . 51857 1
197 . 1 . 1 17 17 ALA HB2 H 1 1.393 0.009 . 1 . . . . . 20 ALA HB2 . 51857 1
198 . 1 . 1 17 17 ALA HB3 H 1 1.393 0.009 . 1 . . . . . 20 ALA HB3 . 51857 1
199 . 1 . 1 17 17 ALA C C 13 180.022 0.004 . 1 . . . . . 20 ALA C . 51857 1
200 . 1 . 1 17 17 ALA CA C 13 54.966 0.089 . 1 . . . . . 20 ALA CA . 51857 1
201 . 1 . 1 17 17 ALA CB C 13 17.692 0.078 . 1 . . . . . 20 ALA CB . 51857 1
202 . 1 . 1 17 17 ALA N N 15 123.292 0.078 . 1 . . . . . 20 ALA N . 51857 1
203 . 1 . 1 18 18 TYR H H 1 7.967 0.012 . 1 . . . . . 21 TYR H . 51857 1
204 . 1 . 1 18 18 TYR HA H 1 3.904 0.000 . 1 . . . . . 21 TYR HA . 51857 1
205 . 1 . 1 18 18 TYR HB2 H 1 3.030 0.019 . 1 . . . . . 21 TYR HB2 . 51857 1
206 . 1 . 1 18 18 TYR HB3 H 1 3.030 0.019 . 1 . . . . . 21 TYR HB3 . 51857 1
207 . 1 . 1 18 18 TYR HD1 H 1 6.929 0.018 . 1 . . . . . 21 TYR HD1 . 51857 1
208 . 1 . 1 18 18 TYR HD2 H 1 6.929 0.018 . 1 . . . . . 21 TYR HD2 . 51857 1
209 . 1 . 1 18 18 TYR HE1 H 1 6.661 0.019 . 1 . . . . . 21 TYR HE1 . 51857 1
210 . 1 . 1 18 18 TYR HE2 H 1 6.661 0.019 . 1 . . . . . 21 TYR HE2 . 51857 1
211 . 1 . 1 18 18 TYR C C 13 176.310 0.010 . 1 . . . . . 21 TYR C . 51857 1
212 . 1 . 1 18 18 TYR CA C 13 61.892 0.040 . 1 . . . . . 21 TYR CA . 51857 1
213 . 1 . 1 18 18 TYR CB C 13 38.521 0.018 . 1 . . . . . 21 TYR CB . 51857 1
214 . 1 . 1 18 18 TYR N N 15 121.605 0.106 . 1 . . . . . 21 TYR N . 51857 1
215 . 1 . 1 19 19 VAL H H 1 8.691 0.006 . 1 . . . . . 22 VAL H . 51857 1
216 . 1 . 1 19 19 VAL HA H 1 2.998 0.010 . 1 . . . . . 22 VAL HA . 51857 1
217 . 1 . 1 19 19 VAL HB H 1 2.029 0.009 . 1 . . . . . 22 VAL HB . 51857 1
218 . 1 . 1 19 19 VAL HG11 H 1 0.911 0.019 . 2 . . . . . 22 VAL HG11 . 51857 1
219 . 1 . 1 19 19 VAL HG12 H 1 0.911 0.019 . 2 . . . . . 22 VAL HG12 . 51857 1
220 . 1 . 1 19 19 VAL HG13 H 1 0.911 0.019 . 2 . . . . . 22 VAL HG13 . 51857 1
221 . 1 . 1 19 19 VAL HG21 H 1 0.550 0.008 . 2 . . . . . 22 VAL HG21 . 51857 1
222 . 1 . 1 19 19 VAL HG22 H 1 0.550 0.008 . 2 . . . . . 22 VAL HG22 . 51857 1
223 . 1 . 1 19 19 VAL HG23 H 1 0.550 0.008 . 2 . . . . . 22 VAL HG23 . 51857 1
224 . 1 . 1 19 19 VAL C C 13 177.732 0.000 . 1 . . . . . 22 VAL C . 51857 1
225 . 1 . 1 19 19 VAL CA C 13 66.909 0.102 . 1 . . . . . 22 VAL CA . 51857 1
226 . 1 . 1 19 19 VAL CB C 13 31.943 0.139 . 1 . . . . . 22 VAL CB . 51857 1
227 . 1 . 1 19 19 VAL CG1 C 13 24.346 0.063 . 2 . . . . . 22 VAL CG1 . 51857 1
228 . 1 . 1 19 19 VAL CG2 C 13 21.020 0.067 . 2 . . . . . 22 VAL CG2 . 51857 1
229 . 1 . 1 19 19 VAL N N 15 119.023 0.069 . 1 . . . . . 22 VAL N . 51857 1
230 . 1 . 1 20 20 LYS H H 1 7.505 0.010 . 1 . . . . . 23 LYS H . 51857 1
231 . 1 . 1 20 20 LYS HA H 1 3.924 0.004 . 1 . . . . . 23 LYS HA . 51857 1
232 . 1 . 1 20 20 LYS HB2 H 1 1.692 0.019 . 1 . . . . . 23 LYS HB2 . 51857 1
233 . 1 . 1 20 20 LYS HB3 H 1 1.692 0.019 . 1 . . . . . 23 LYS HB3 . 51857 1
234 . 1 . 1 20 20 LYS HG2 H 1 1.242 0.026 . 2 . . . . . 23 LYS HG2 . 51857 1
235 . 1 . 1 20 20 LYS HG3 H 1 1.254 0.025 . 2 . . . . . 23 LYS HG3 . 51857 1
236 . 1 . 1 20 20 LYS HD2 H 1 1.488 0.003 . 2 . . . . . 23 LYS HD2 . 51857 1
237 . 1 . 1 20 20 LYS HD3 H 1 1.488 0.003 . 2 . . . . . 23 LYS HD3 . 51857 1
238 . 1 . 1 20 20 LYS HE2 H 1 2.773 0.004 . 2 . . . . . 23 LYS HE2 . 51857 1
239 . 1 . 1 20 20 LYS HE3 H 1 2.774 0.004 . 2 . . . . . 23 LYS HE3 . 51857 1
240 . 1 . 1 20 20 LYS C C 13 179.300 0.002 . 1 . . . . . 23 LYS C . 51857 1
241 . 1 . 1 20 20 LYS CA C 13 58.790 0.039 . 1 . . . . . 23 LYS CA . 51857 1
242 . 1 . 1 20 20 LYS CB C 13 32.469 0.049 . 1 . . . . . 23 LYS CB . 51857 1
243 . 1 . 1 20 20 LYS CG C 13 24.582 0.070 . 1 . . . . . 23 LYS CG . 51857 1
244 . 1 . 1 20 20 LYS CD C 13 29.120 0.073 . 1 . . . . . 23 LYS CD . 51857 1
245 . 1 . 1 20 20 LYS CE C 13 41.917 0.080 . 1 . . . . . 23 LYS CE . 51857 1
246 . 1 . 1 20 20 LYS N N 15 117.098 0.072 . 1 . . . . . 23 LYS N . 51857 1
247 . 1 . 1 21 21 ARG H H 1 7.792 0.007 . 1 . . . . . 24 ARG H . 51857 1
248 . 1 . 1 21 21 ARG HA H 1 3.814 0.021 . 1 . . . . . 24 ARG HA . 51857 1
249 . 1 . 1 21 21 ARG HB2 H 1 1.655 0.002 . 2 . . . . . 24 ARG HB2 . 51857 1
250 . 1 . 1 21 21 ARG HB3 H 1 1.552 0.004 . 2 . . . . . 24 ARG HB3 . 51857 1
251 . 1 . 1 21 21 ARG HG2 H 1 1.418 0.025 . 1 . . . . . 24 ARG HG2 . 51857 1
252 . 1 . 1 21 21 ARG HD2 H 1 2.904 0.010 . 1 . . . . . 24 ARG HD2 . 51857 1
253 . 1 . 1 21 21 ARG HD3 H 1 2.904 0.010 . 1 . . . . . 24 ARG HD3 . 51857 1
254 . 1 . 1 21 21 ARG C C 13 177.535 0.056 . 1 . . . . . 24 ARG C . 51857 1
255 . 1 . 1 21 21 ARG CA C 13 58.736 0.018 . 1 . . . . . 24 ARG CA . 51857 1
256 . 1 . 1 21 21 ARG CB C 13 29.880 0.046 . 1 . . . . . 24 ARG CB . 51857 1
257 . 1 . 1 21 21 ARG CG C 13 27.036 0.118 . 1 . . . . . 24 ARG CG . 51857 1
258 . 1 . 1 21 21 ARG CD C 13 43.235 0.052 . 1 . . . . . 24 ARG CD . 51857 1
259 . 1 . 1 21 21 ARG N N 15 120.444 0.079 . 1 . . . . . 24 ARG N . 51857 1
260 . 1 . 1 22 22 ALA H H 1 8.242 0.015 . 1 . . . . . 25 ALA H . 51857 1
261 . 1 . 1 22 22 ALA HA H 1 4.064 0.452 . 1 . . . . . 25 ALA HA . 51857 1
262 . 1 . 1 22 22 ALA HB1 H 1 0.659 0.008 . 1 . . . . . 25 ALA HB1 . 51857 1
263 . 1 . 1 22 22 ALA HB2 H 1 0.659 0.008 . 1 . . . . . 25 ALA HB2 . 51857 1
264 . 1 . 1 22 22 ALA HB3 H 1 0.659 0.008 . 1 . . . . . 25 ALA HB3 . 51857 1
265 . 1 . 1 22 22 ALA C C 13 177.298 0.006 . 1 . . . . . 25 ALA C . 51857 1
266 . 1 . 1 22 22 ALA CA C 13 51.744 0.091 . 1 . . . . . 25 ALA CA . 51857 1
267 . 1 . 1 22 22 ALA CB C 13 18.469 0.047 . 1 . . . . . 25 ALA CB . 51857 1
268 . 1 . 1 22 22 ALA N N 15 118.567 0.081 . 1 . . . . . 25 ALA N . 51857 1
269 . 1 . 1 23 23 GLY H H 1 7.333 0.007 . 1 . . . . . 26 GLY H . 51857 1
270 . 1 . 1 23 23 GLY HA2 H 1 3.891 0.578 . 1 . . . . . 26 GLY HA2 . 51857 1
271 . 1 . 1 23 23 GLY HA3 H 1 3.891 0.578 . 1 . . . . . 26 GLY HA3 . 51857 1
272 . 1 . 1 23 23 GLY C C 13 175.308 0.008 . 1 . . . . . 26 GLY C . 51857 1
273 . 1 . 1 23 23 GLY CA C 13 46.490 0.038 . 1 . . . . . 26 GLY CA . 51857 1
274 . 1 . 1 23 23 GLY N N 15 108.047 0.082 . 1 . . . . . 26 GLY N . 51857 1
275 . 1 . 1 24 24 LEU H H 1 7.788 0.017 . 1 . . . . . 27 LEU H . 51857 1
276 . 1 . 1 24 24 LEU HA H 1 4.013 0.002 . 1 . . . . . 27 LEU HA . 51857 1
277 . 1 . 1 24 24 LEU HB2 H 1 1.930 0.033 . 1 . . . . . 27 LEU HB2 . 51857 1
278 . 1 . 1 24 24 LEU HB3 H 1 1.930 0.033 . 1 . . . . . 27 LEU HB3 . 51857 1
279 . 1 . 1 24 24 LEU HG H 1 1.930 0.033 . 1 . . . . . 27 LEU HG . 51857 1
280 . 1 . 1 24 24 LEU HD11 H 1 0.749 0.000 . 1 . . . . . 27 LEU HD11 . 51857 1
281 . 1 . 1 24 24 LEU HD12 H 1 0.749 0.000 . 1 . . . . . 27 LEU HD12 . 51857 1
282 . 1 . 1 24 24 LEU HD13 H 1 0.749 0.000 . 1 . . . . . 27 LEU HD13 . 51857 1
283 . 1 . 1 24 24 LEU HD21 H 1 0.749 0.000 . 1 . . . . . 27 LEU HD21 . 51857 1
284 . 1 . 1 24 24 LEU HD22 H 1 0.749 0.000 . 1 . . . . . 27 LEU HD22 . 51857 1
285 . 1 . 1 24 24 LEU HD23 H 1 0.749 0.000 . 1 . . . . . 27 LEU HD23 . 51857 1
286 . 1 . 1 24 24 LEU C C 13 176.663 0.000 . 1 . . . . . 27 LEU C . 51857 1
287 . 1 . 1 24 24 LEU CA C 13 52.339 0.000 . 1 . . . . . 27 LEU CA . 51857 1
288 . 1 . 1 24 24 LEU CB C 13 42.345 0.000 . 1 . . . . . 27 LEU CB . 51857 1
289 . 1 . 1 24 24 LEU N N 15 118.749 0.147 . 1 . . . . . 27 LEU N . 51857 1
290 . 1 . 1 25 25 PRO HA H 1 4.355 0.358 . 1 . . . . . 28 PRO HA . 51857 1
291 . 1 . 1 25 25 PRO HB2 H 1 2.300 0.553 . 2 . . . . . 28 PRO HB2 . 51857 1
292 . 1 . 1 25 25 PRO HB3 H 1 2.372 0.609 . 2 . . . . . 28 PRO HB3 . 51857 1
293 . 1 . 1 25 25 PRO HG2 H 1 2.161 0.585 . 2 . . . . . 28 PRO HG2 . 51857 1
294 . 1 . 1 25 25 PRO HG3 H 1 1.914 0.499 . 2 . . . . . 28 PRO HG3 . 51857 1
295 . 1 . 1 25 25 PRO HD2 H 1 3.646 0.005 . 2 . . . . . 28 PRO HD2 . 51857 1
296 . 1 . 1 25 25 PRO HD3 H 1 3.499 0.005 . 2 . . . . . 28 PRO HD3 . 51857 1
297 . 1 . 1 25 25 PRO C C 13 176.029 0.000 . 1 . . . . . 28 PRO C . 51857 1
298 . 1 . 1 25 25 PRO CA C 13 64.121 0.057 . 1 . . . . . 28 PRO CA . 51857 1
299 . 1 . 1 25 25 PRO CB C 13 32.330 0.180 . 1 . . . . . 28 PRO CB . 51857 1
300 . 1 . 1 25 25 PRO CG C 13 27.014 0.115 . 1 . . . . . 28 PRO CG . 51857 1
301 . 1 . 1 25 25 PRO CD C 13 50.438 0.096 . 1 . . . . . 28 PRO CD . 51857 1
302 . 1 . 1 26 26 SER H H 1 6.676 0.023 . 1 . . . . . 29 SER H . 51857 1
303 . 1 . 1 26 26 SER HA H 1 4.844 0.574 . 1 . . . . . 29 SER HA . 51857 1
304 . 1 . 1 26 26 SER HB2 H 1 4.097 0.015 . 2 . . . . . 29 SER HB2 . 51857 1
305 . 1 . 1 26 26 SER HB3 H 1 3.827 0.009 . 2 . . . . . 29 SER HB3 . 51857 1
306 . 1 . 1 26 26 SER C C 13 173.736 0.006 . 1 . . . . . 29 SER C . 51857 1
307 . 1 . 1 26 26 SER CA C 13 56.466 0.058 . 1 . . . . . 29 SER CA . 51857 1
308 . 1 . 1 26 26 SER CB C 13 66.047 0.023 . 1 . . . . . 29 SER CB . 51857 1
309 . 1 . 1 26 26 SER N N 15 108.664 0.075 . 1 . . . . . 29 SER N . 51857 1
310 . 1 . 1 27 27 ARG H H 1 8.984 0.010 . 1 . . . . . 30 ARG H . 51857 1
311 . 1 . 1 27 27 ARG HA H 1 3.772 0.007 . 1 . . . . . 30 ARG HA . 51857 1
312 . 1 . 1 27 27 ARG HB2 H 1 1.737 0.000 . 1 . . . . . 30 ARG HB2 . 51857 1
313 . 1 . 1 27 27 ARG HB3 H 1 1.737 0.000 . 1 . . . . . 30 ARG HB3 . 51857 1
314 . 1 . 1 27 27 ARG HG2 H 1 1.422 0.024 . 2 . . . . . 30 ARG HG2 . 51857 1
315 . 1 . 1 27 27 ARG HG3 H 1 1.428 0.020 . 2 . . . . . 30 ARG HG3 . 51857 1
316 . 1 . 1 27 27 ARG HD2 H 1 3.156 0.011 . 1 . . . . . 30 ARG HD2 . 51857 1
317 . 1 . 1 27 27 ARG HD3 H 1 3.156 0.011 . 1 . . . . . 30 ARG HD3 . 51857 1
318 . 1 . 1 27 27 ARG HE H 1 9.772 0.000 . 1 . . . . . 30 ARG HE . 51857 1
319 . 1 . 1 27 27 ARG C C 13 178.697 0.015 . 1 . . . . . 30 ARG C . 51857 1
320 . 1 . 1 27 27 ARG CA C 13 60.451 0.050 . 1 . . . . . 30 ARG CA . 51857 1
321 . 1 . 1 27 27 ARG CB C 13 30.912 0.048 . 1 . . . . . 30 ARG CB . 51857 1
322 . 1 . 1 27 27 ARG CG C 13 29.078 0.083 . 1 . . . . . 30 ARG CG . 51857 1
323 . 1 . 1 27 27 ARG CD C 13 43.633 0.061 . 1 . . . . . 30 ARG CD . 51857 1
324 . 1 . 1 27 27 ARG N N 15 119.887 0.088 . 1 . . . . . 30 ARG N . 51857 1
325 . 1 . 1 27 27 ARG NE N 15 85.436 0.000 . 1 . . . . . 30 ARG NE . 51857 1
326 . 1 . 1 28 28 SER H H 1 8.364 0.016 . 1 . . . . . 31 SER H . 51857 1
327 . 1 . 1 28 28 SER HB2 H 1 3.843 0.004 . 1 . . . . . 31 SER HB2 . 51857 1
328 . 1 . 1 28 28 SER HB3 H 1 3.843 0.004 . 1 . . . . . 31 SER HB3 . 51857 1
329 . 1 . 1 28 28 SER C C 13 175.644 0.000 . 1 . . . . . 31 SER C . 51857 1
330 . 1 . 1 28 28 SER CA C 13 63.208 0.000 . 1 . . . . . 31 SER CA . 51857 1
331 . 1 . 1 28 28 SER CB C 13 64.828 0.000 . 1 . . . . . 31 SER CB . 51857 1
332 . 1 . 1 28 28 SER N N 15 114.809 0.077 . 1 . . . . . 31 SER N . 51857 1
333 . 1 . 1 29 29 ALA HA H 1 4.178 0.017 . 1 . . . . . 32 ALA HA . 51857 1
334 . 1 . 1 29 29 ALA HB1 H 1 1.395 0.007 . 1 . . . . . 32 ALA HB1 . 51857 1
335 . 1 . 1 29 29 ALA HB2 H 1 1.395 0.007 . 1 . . . . . 32 ALA HB2 . 51857 1
336 . 1 . 1 29 29 ALA HB3 H 1 1.395 0.007 . 1 . . . . . 32 ALA HB3 . 51857 1
337 . 1 . 1 29 29 ALA C C 13 172.426 0.000 . 1 . . . . . 32 ALA C . 51857 1
338 . 1 . 1 29 29 ALA CA C 13 54.561 0.051 . 1 . . . . . 32 ALA CA . 51857 1
339 . 1 . 1 29 29 ALA CB C 13 18.507 0.027 . 1 . . . . . 32 ALA CB . 51857 1
340 . 1 . 1 30 30 GLY H H 1 7.674 0.014 . 1 . . . . . 33 GLY H . 51857 1
341 . 1 . 1 30 30 GLY HA2 H 1 3.387 0.009 . 2 . . . . . 33 GLY HA2 . 51857 1
342 . 1 . 1 30 30 GLY HA3 H 1 3.590 0.016 . 2 . . . . . 33 GLY HA3 . 51857 1
343 . 1 . 1 30 30 GLY C C 13 173.996 0.008 . 1 . . . . . 33 GLY C . 51857 1
344 . 1 . 1 30 30 GLY CA C 13 47.510 0.085 . 1 . . . . . 33 GLY CA . 51857 1
345 . 1 . 1 30 30 GLY N N 15 104.695 0.083 . 1 . . . . . 33 GLY N . 51857 1
346 . 1 . 1 31 31 LEU H H 1 7.897 0.009 . 1 . . . . . 34 LEU H . 51857 1
347 . 1 . 1 31 31 LEU HA H 1 4.125 0.625 . 1 . . . . . 34 LEU HA . 51857 1
348 . 1 . 1 31 31 LEU HB2 H 1 1.752 0.015 . 1 . . . . . 34 LEU HB2 . 51857 1
349 . 1 . 1 31 31 LEU HB3 H 1 1.752 0.015 . 1 . . . . . 34 LEU HB3 . 51857 1
350 . 1 . 1 31 31 LEU HG H 1 1.411 0.552 . 1 . . . . . 34 LEU HG . 51857 1
351 . 1 . 1 31 31 LEU HD11 H 1 0.624 0.010 . 2 . . . . . 34 LEU HD11 . 51857 1
352 . 1 . 1 31 31 LEU HD12 H 1 0.624 0.010 . 2 . . . . . 34 LEU HD12 . 51857 1
353 . 1 . 1 31 31 LEU HD13 H 1 0.624 0.010 . 2 . . . . . 34 LEU HD13 . 51857 1
354 . 1 . 1 31 31 LEU HD21 H 1 0.622 0.009 . 2 . . . . . 34 LEU HD21 . 51857 1
355 . 1 . 1 31 31 LEU HD22 H 1 0.622 0.009 . 2 . . . . . 34 LEU HD22 . 51857 1
356 . 1 . 1 31 31 LEU HD23 H 1 0.622 0.009 . 2 . . . . . 34 LEU HD23 . 51857 1
357 . 1 . 1 31 31 LEU C C 13 177.642 0.011 . 1 . . . . . 34 LEU C . 51857 1
358 . 1 . 1 31 31 LEU CA C 13 57.396 0.142 . 1 . . . . . 34 LEU CA . 51857 1
359 . 1 . 1 31 31 LEU CB C 13 41.574 0.080 . 1 . . . . . 34 LEU CB . 51857 1
360 . 1 . 1 31 31 LEU CG C 13 26.826 0.057 . 1 . . . . . 34 LEU CG . 51857 1
361 . 1 . 1 31 31 LEU CD1 C 13 25.810 0.112 . 2 . . . . . 34 LEU CD1 . 51857 1
362 . 1 . 1 31 31 LEU CD2 C 13 24.406 0.069 . 2 . . . . . 34 LEU CD2 . 51857 1
363 . 1 . 1 31 31 LEU N N 15 121.623 0.055 . 1 . . . . . 34 LEU N . 51857 1
364 . 1 . 1 32 32 GLN H H 1 7.912 0.006 . 1 . . . . . 35 GLN H . 51857 1
365 . 1 . 1 32 32 GLN HA H 1 3.587 0.006 . 1 . . . . . 35 GLN HA . 51857 1
366 . 1 . 1 32 32 GLN HB2 H 1 2.127 0.028 . 2 . . . . . 35 GLN HB2 . 51857 1
367 . 1 . 1 32 32 GLN HB3 H 1 2.021 0.006 . 2 . . . . . 35 GLN HB3 . 51857 1
368 . 1 . 1 32 32 GLN HG2 H 1 2.384 0.004 . 1 . . . . . 35 GLN HG2 . 51857 1
369 . 1 . 1 32 32 GLN HG3 H 1 2.384 0.004 . 1 . . . . . 35 GLN HG3 . 51857 1
370 . 1 . 1 32 32 GLN HE21 H 1 7.887 0.011 . 1 . . . . . 35 GLN HE21 . 51857 1
371 . 1 . 1 32 32 GLN HE22 H 1 6.670 0.011 . 1 . . . . . 35 GLN HE22 . 51857 1
372 . 1 . 1 32 32 GLN C C 13 178.303 0.008 . 1 . . . . . 35 GLN C . 51857 1
373 . 1 . 1 32 32 GLN CA C 13 59.562 0.063 . 1 . . . . . 35 GLN CA . 51857 1
374 . 1 . 1 32 32 GLN CB C 13 28.263 0.062 . 1 . . . . . 35 GLN CB . 51857 1
375 . 1 . 1 32 32 GLN CG C 13 34.247 0.064 . 1 . . . . . 35 GLN CG . 51857 1
376 . 1 . 1 32 32 GLN N N 15 117.208 0.063 . 1 . . . . . 35 GLN N . 51857 1
377 . 1 . 1 32 32 GLN NE2 N 15 111.974 0.291 . 1 . . . . . 35 GLN NE2 . 51857 1
378 . 1 . 1 33 33 HIS H H 1 7.861 0.014 . 1 . . . . . 36 HIS H . 51857 1
379 . 1 . 1 33 33 HIS HA H 1 3.968 0.010 . 1 . . . . . 36 HIS HA . 51857 1
380 . 1 . 1 33 33 HIS HB2 H 1 3.172 0.031 . 2 . . . . . 36 HIS HB2 . 51857 1
381 . 1 . 1 33 33 HIS HB3 H 1 3.052 0.015 . 2 . . . . . 36 HIS HB3 . 51857 1
382 . 1 . 1 33 33 HIS C C 13 176.922 0.018 . 1 . . . . . 36 HIS C . 51857 1
383 . 1 . 1 33 33 HIS CA C 13 60.033 0.095 . 1 . . . . . 36 HIS CA . 51857 1
384 . 1 . 1 33 33 HIS CB C 13 30.459 0.104 . 1 . . . . . 36 HIS CB . 51857 1
385 . 1 . 1 33 33 HIS N N 15 117.711 0.064 . 1 . . . . . 36 HIS N . 51857 1
386 . 1 . 1 34 34 ALA H H 1 7.904 0.009 . 1 . . . . . 37 ALA H . 51857 1
387 . 1 . 1 34 34 ALA HA H 1 3.902 0.000 . 1 . . . . . 37 ALA HA . 51857 1
388 . 1 . 1 34 34 ALA HB1 H 1 1.074 0.010 . 1 . . . . . 37 ALA HB1 . 51857 1
389 . 1 . 1 34 34 ALA HB2 H 1 1.074 0.010 . 1 . . . . . 37 ALA HB2 . 51857 1
390 . 1 . 1 34 34 ALA HB3 H 1 1.074 0.010 . 1 . . . . . 37 ALA HB3 . 51857 1
391 . 1 . 1 34 34 ALA C C 13 178.283 0.019 . 1 . . . . . 37 ALA C . 51857 1
392 . 1 . 1 34 34 ALA CA C 13 54.568 0.053 . 1 . . . . . 37 ALA CA . 51857 1
393 . 1 . 1 34 34 ALA CB C 13 17.508 0.075 . 1 . . . . . 37 ALA CB . 51857 1
394 . 1 . 1 34 34 ALA N N 15 120.489 0.084 . 1 . . . . . 37 ALA N . 51857 1
395 . 1 . 1 35 35 ILE H H 1 7.423 0.007 . 1 . . . . . 38 ILE H . 51857 1
396 . 1 . 1 35 35 ILE HA H 1 3.252 0.012 . 1 . . . . . 38 ILE HA . 51857 1
397 . 1 . 1 35 35 ILE HB H 1 1.701 0.006 . 1 . . . . . 38 ILE HB . 51857 1
398 . 1 . 1 35 35 ILE HG12 H 1 1.498 0.003 . 1 . . . . . 38 ILE HG12 . 51857 1
399 . 1 . 1 35 35 ILE HG13 H 1 1.498 0.003 . 1 . . . . . 38 ILE HG13 . 51857 1
400 . 1 . 1 35 35 ILE HG21 H 1 0.687 0.026 . 1 . . . . . 38 ILE HG21 . 51857 1
401 . 1 . 1 35 35 ILE HG22 H 1 0.687 0.026 . 1 . . . . . 38 ILE HG22 . 51857 1
402 . 1 . 1 35 35 ILE HG23 H 1 0.687 0.026 . 1 . . . . . 38 ILE HG23 . 51857 1
403 . 1 . 1 35 35 ILE HD11 H 1 0.579 0.006 . 1 . . . . . 38 ILE HD11 . 51857 1
404 . 1 . 1 35 35 ILE HD12 H 1 0.579 0.006 . 1 . . . . . 38 ILE HD12 . 51857 1
405 . 1 . 1 35 35 ILE HD13 H 1 0.579 0.006 . 1 . . . . . 38 ILE HD13 . 51857 1
406 . 1 . 1 35 35 ILE C C 13 176.922 0.010 . 1 . . . . . 38 ILE C . 51857 1
407 . 1 . 1 35 35 ILE CA C 13 63.630 0.081 . 1 . . . . . 38 ILE CA . 51857 1
408 . 1 . 1 35 35 ILE CB C 13 37.798 0.044 . 1 . . . . . 38 ILE CB . 51857 1
409 . 1 . 1 35 35 ILE CG1 C 13 29.000 0.000 . 1 . . . . . 38 ILE CG1 . 51857 1
410 . 1 . 1 35 35 ILE CG2 C 13 18.242 0.048 . 1 . . . . . 38 ILE CG2 . 51857 1
411 . 1 . 1 35 35 ILE CD1 C 13 14.345 0.073 . 1 . . . . . 38 ILE CD1 . 51857 1
412 . 1 . 1 35 35 ILE N N 15 113.877 0.070 . 1 . . . . . 38 ILE N . 51857 1
413 . 1 . 1 36 36 ARG H H 1 7.245 0.015 . 1 . . . . . 39 ARG H . 51857 1
414 . 1 . 1 36 36 ARG HA H 1 3.713 0.010 . 1 . . . . . 39 ARG HA . 51857 1
415 . 1 . 1 36 36 ARG HB2 H 1 1.632 0.017 . 1 . . . . . 39 ARG HB2 . 51857 1
416 . 1 . 1 36 36 ARG HB3 H 1 1.632 0.017 . 1 . . . . . 39 ARG HB3 . 51857 1
417 . 1 . 1 36 36 ARG HG2 H 1 1.446 0.013 . 2 . . . . . 39 ARG HG2 . 51857 1
418 . 1 . 1 36 36 ARG HG3 H 1 1.439 0.014 . 2 . . . . . 39 ARG HG3 . 51857 1
419 . 1 . 1 36 36 ARG HD2 H 1 2.831 0.000 . 2 . . . . . 39 ARG HD2 . 51857 1
420 . 1 . 1 36 36 ARG HD3 H 1 2.888 0.000 . 2 . . . . . 39 ARG HD3 . 51857 1
421 . 1 . 1 36 36 ARG HE H 1 7.655 0.000 . 1 . . . . . 39 ARG HE . 51857 1
422 . 1 . 1 36 36 ARG C C 13 178.723 0.014 . 1 . . . . . 39 ARG C . 51857 1
423 . 1 . 1 36 36 ARG CA C 13 59.066 0.042 . 1 . . . . . 39 ARG CA . 51857 1
424 . 1 . 1 36 36 ARG CB C 13 29.609 0.087 . 1 . . . . . 39 ARG CB . 51857 1
425 . 1 . 1 36 36 ARG CG C 13 27.785 0.124 . 1 . . . . . 39 ARG CG . 51857 1
426 . 1 . 1 36 36 ARG CD C 13 43.486 0.004 . 1 . . . . . 39 ARG CD . 51857 1
427 . 1 . 1 36 36 ARG N N 15 116.762 0.106 . 1 . . . . . 39 ARG N . 51857 1
428 . 1 . 1 36 36 ARG NE N 15 85.149 0.000 . 1 . . . . . 39 ARG NE . 51857 1
429 . 1 . 1 37 37 VAL H H 1 7.353 0.019 . 1 . . . . . 40 VAL H . 51857 1
430 . 1 . 1 37 37 VAL HA H 1 3.775 0.013 . 1 . . . . . 40 VAL HA . 51857 1
431 . 1 . 1 37 37 VAL HB H 1 2.179 0.487 . 1 . . . . . 40 VAL HB . 51857 1
432 . 1 . 1 37 37 VAL HG11 H 1 0.663 0.008 . 2 . . . . . 40 VAL HG11 . 51857 1
433 . 1 . 1 37 37 VAL HG12 H 1 0.663 0.008 . 2 . . . . . 40 VAL HG12 . 51857 1
434 . 1 . 1 37 37 VAL HG13 H 1 0.663 0.008 . 2 . . . . . 40 VAL HG13 . 51857 1
435 . 1 . 1 37 37 VAL HG21 H 1 0.652 0.006 . 2 . . . . . 40 VAL HG21 . 51857 1
436 . 1 . 1 37 37 VAL HG22 H 1 0.652 0.006 . 2 . . . . . 40 VAL HG22 . 51857 1
437 . 1 . 1 37 37 VAL HG23 H 1 0.652 0.006 . 2 . . . . . 40 VAL HG23 . 51857 1
438 . 1 . 1 37 37 VAL C C 13 176.683 0.005 . 1 . . . . . 40 VAL C . 51857 1
439 . 1 . 1 37 37 VAL CA C 13 63.426 0.018 . 1 . . . . . 40 VAL CA . 51857 1
440 . 1 . 1 37 37 VAL CB C 13 31.113 0.046 . 1 . . . . . 40 VAL CB . 51857 1
441 . 1 . 1 37 37 VAL CG1 C 13 21.156 0.000 . 2 . . . . . 40 VAL CG1 . 51857 1
442 . 1 . 1 37 37 VAL CG2 C 13 20.861 0.106 . 2 . . . . . 40 VAL CG2 . 51857 1
443 . 1 . 1 37 37 VAL N N 15 115.097 0.165 . 1 . . . . . 40 VAL N . 51857 1
444 . 1 . 1 38 38 LEU H H 1 7.252 0.014 . 1 . . . . . 41 LEU H . 51857 1
445 . 1 . 1 38 38 LEU HA H 1 3.815 0.022 . 1 . . . . . 41 LEU HA . 51857 1
446 . 1 . 1 38 38 LEU HB2 H 1 1.831 0.615 . 1 . . . . . 41 LEU HB2 . 51857 1
447 . 1 . 1 38 38 LEU HB3 H 1 1.831 0.615 . 1 . . . . . 41 LEU HB3 . 51857 1
448 . 1 . 1 38 38 LEU HG H 1 1.053 0.031 . 1 . . . . . 41 LEU HG . 51857 1
449 . 1 . 1 38 38 LEU HD11 H 1 0.284 0.028 . 2 . . . . . 41 LEU HD11 . 51857 1
450 . 1 . 1 38 38 LEU HD12 H 1 0.284 0.028 . 2 . . . . . 41 LEU HD12 . 51857 1
451 . 1 . 1 38 38 LEU HD13 H 1 0.284 0.028 . 2 . . . . . 41 LEU HD13 . 51857 1
452 . 1 . 1 38 38 LEU HD21 H 1 -0.026 0.021 . 2 . . . . . 41 LEU HD21 . 51857 1
453 . 1 . 1 38 38 LEU HD22 H 1 -0.026 0.021 . 2 . . . . . 41 LEU HD22 . 51857 1
454 . 1 . 1 38 38 LEU HD23 H 1 -0.026 0.021 . 2 . . . . . 41 LEU HD23 . 51857 1
455 . 1 . 1 38 38 LEU C C 13 177.228 0.011 . 1 . . . . . 41 LEU C . 51857 1
456 . 1 . 1 38 38 LEU CA C 13 55.282 0.096 . 1 . . . . . 41 LEU CA . 51857 1
457 . 1 . 1 38 38 LEU CB C 13 40.832 0.070 . 1 . . . . . 41 LEU CB . 51857 1
458 . 1 . 1 38 38 LEU CD1 C 13 24.607 0.039 . 2 . . . . . 41 LEU CD1 . 51857 1
459 . 1 . 1 38 38 LEU CD2 C 13 20.895 0.086 . 2 . . . . . 41 LEU CD2 . 51857 1
460 . 1 . 1 38 38 LEU N N 15 119.372 0.123 . 1 . . . . . 41 LEU N . 51857 1
461 . 1 . 1 39 39 ARG H H 1 7.253 0.007 . 1 . . . . . 42 ARG H . 51857 1
462 . 1 . 1 39 39 ARG HA H 1 3.960 0.019 . 1 . . . . . 42 ARG HA . 51857 1
463 . 1 . 1 39 39 ARG HB2 H 1 1.945 0.036 . 1 . . . . . 42 ARG HB2 . 51857 1
464 . 1 . 1 39 39 ARG HB3 H 1 1.945 0.036 . 1 . . . . . 42 ARG HB3 . 51857 1
465 . 1 . 1 39 39 ARG HG2 H 1 1.462 0.003 . 1 . . . . . 42 ARG HG2 . 51857 1
466 . 1 . 1 39 39 ARG HG3 H 1 1.462 0.003 . 1 . . . . . 42 ARG HG3 . 51857 1
467 . 1 . 1 39 39 ARG HD2 H 1 3.151 0.000 . 1 . . . . . 42 ARG HD2 . 51857 1
468 . 1 . 1 39 39 ARG HD3 H 1 3.151 0.000 . 1 . . . . . 42 ARG HD3 . 51857 1
469 . 1 . 1 39 39 ARG HE H 1 7.080 0.000 . 1 . . . . . 42 ARG HE . 51857 1
470 . 1 . 1 39 39 ARG C C 13 175.394 0.000 . 1 . . . . . 42 ARG C . 51857 1
471 . 1 . 1 39 39 ARG CA C 13 56.759 0.157 . 1 . . . . . 42 ARG CA . 51857 1
472 . 1 . 1 39 39 ARG CB C 13 29.794 0.082 . 1 . . . . . 42 ARG CB . 51857 1
473 . 1 . 1 39 39 ARG N N 15 118.604 0.119 . 1 . . . . . 42 ARG N . 51857 1
474 . 1 . 1 39 39 ARG NE N 15 84.358 0.000 . 1 . . . . . 42 ARG NE . 51857 1
475 . 1 . 1 40 40 TYR H H 1 7.857 0.007 . 1 . . . . . 43 TYR H . 51857 1
476 . 1 . 1 40 40 TYR HA H 1 3.990 0.004 . 1 . . . . . 43 TYR HA . 51857 1
477 . 1 . 1 40 40 TYR HB2 H 1 3.090 0.004 . 2 . . . . . 43 TYR HB2 . 51857 1
478 . 1 . 1 40 40 TYR HB3 H 1 3.051 0.001 . 2 . . . . . 43 TYR HB3 . 51857 1
479 . 1 . 1 40 40 TYR HD1 H 1 6.747 0.002 . 1 . . . . . 43 TYR HD1 . 51857 1
480 . 1 . 1 40 40 TYR HD2 H 1 6.747 0.002 . 1 . . . . . 43 TYR HD2 . 51857 1
481 . 1 . 1 40 40 TYR HE1 H 1 6.583 0.002 . 1 . . . . . 43 TYR HE1 . 51857 1
482 . 1 . 1 40 40 TYR HE2 H 1 6.583 0.002 . 1 . . . . . 43 TYR HE2 . 51857 1
483 . 1 . 1 40 40 TYR CA C 13 55.884 0.000 . 1 . . . . . 43 TYR CA . 51857 1
484 . 1 . 1 40 40 TYR CB C 13 37.999 0.000 . 1 . . . . . 43 TYR CB . 51857 1
485 . 1 . 1 40 40 TYR N N 15 121.296 0.115 . 1 . . . . . 43 TYR N . 51857 1
486 . 1 . 1 41 41 PRO HA H 1 4.815 0.706 . 1 . . . . . 44 PRO HA . 51857 1
487 . 1 . 1 41 41 PRO HB2 H 1 2.490 0.006 . 2 . . . . . 44 PRO HB2 . 51857 1
488 . 1 . 1 41 41 PRO HB3 H 1 2.505 0.009 . 2 . . . . . 44 PRO HB3 . 51857 1
489 . 1 . 1 41 41 PRO HG2 H 1 1.764 0.010 . 1 . . . . . 44 PRO HG2 . 51857 1
490 . 1 . 1 41 41 PRO HG3 H 1 1.764 0.010 . 1 . . . . . 44 PRO HG3 . 51857 1
491 . 1 . 1 41 41 PRO C C 13 176.553 0.027 . 1 . . . . . 44 PRO C . 51857 1
492 . 1 . 1 41 41 PRO CA C 13 63.638 0.006 . 1 . . . . . 44 PRO CA . 51857 1
493 . 1 . 1 41 41 PRO CB C 13 31.856 0.060 . 1 . . . . . 44 PRO CB . 51857 1
494 . 1 . 1 41 41 PRO CG C 13 27.326 0.000 . 1 . . . . . 44 PRO CG . 51857 1
495 . 1 . 1 42 42 THR H H 1 7.923 0.006 . 1 . . . . . 45 THR H . 51857 1
496 . 1 . 1 42 42 THR HA H 1 4.235 0.008 . 1 . . . . . 45 THR HA . 51857 1
497 . 1 . 1 42 42 THR HB H 1 4.091 0.009 . 1 . . . . . 45 THR HB . 51857 1
498 . 1 . 1 42 42 THR HG21 H 1 1.062 0.000 . 1 . . . . . 45 THR HG21 . 51857 1
499 . 1 . 1 42 42 THR HG22 H 1 1.062 0.000 . 1 . . . . . 45 THR HG22 . 51857 1
500 . 1 . 1 42 42 THR HG23 H 1 1.062 0.000 . 1 . . . . . 45 THR HG23 . 51857 1
501 . 1 . 1 42 42 THR C C 13 174.469 0.009 . 1 . . . . . 45 THR C . 51857 1
502 . 1 . 1 42 42 THR CA C 13 61.435 0.061 . 1 . . . . . 45 THR CA . 51857 1
503 . 1 . 1 42 42 THR CB C 13 69.944 0.080 . 1 . . . . . 45 THR CB . 51857 1
504 . 1 . 1 42 42 THR N N 15 112.798 0.085 . 1 . . . . . 45 THR N . 51857 1
505 . 1 . 1 43 43 LEU H H 1 8.156 0.020 . 1 . . . . . 46 LEU H . 51857 1
506 . 1 . 1 43 43 LEU HA H 1 4.168 0.010 . 1 . . . . . 46 LEU HA . 51857 1
507 . 1 . 1 43 43 LEU HB2 H 1 1.459 0.016 . 1 . . . . . 46 LEU HB2 . 51857 1
508 . 1 . 1 43 43 LEU HB3 H 1 1.459 0.016 . 1 . . . . . 46 LEU HB3 . 51857 1
509 . 1 . 1 43 43 LEU HG H 1 1.459 0.016 . 1 . . . . . 46 LEU HG . 51857 1
510 . 1 . 1 43 43 LEU HD11 H 1 0.697 0.003 . 2 . . . . . 46 LEU HD11 . 51857 1
511 . 1 . 1 43 43 LEU HD12 H 1 0.697 0.003 . 2 . . . . . 46 LEU HD12 . 51857 1
512 . 1 . 1 43 43 LEU HD13 H 1 0.697 0.003 . 2 . . . . . 46 LEU HD13 . 51857 1
513 . 1 . 1 43 43 LEU HD21 H 1 0.697 0.003 . 2 . . . . . 46 LEU HD21 . 51857 1
514 . 1 . 1 43 43 LEU HD22 H 1 0.697 0.003 . 2 . . . . . 46 LEU HD22 . 51857 1
515 . 1 . 1 43 43 LEU HD23 H 1 0.697 0.003 . 2 . . . . . 46 LEU HD23 . 51857 1
516 . 1 . 1 43 43 LEU C C 13 177.241 0.004 . 1 . . . . . 46 LEU C . 51857 1
517 . 1 . 1 43 43 LEU CA C 13 55.256 0.079 . 1 . . . . . 46 LEU CA . 51857 1
518 . 1 . 1 43 43 LEU CB C 13 42.228 0.065 . 1 . . . . . 46 LEU CB . 51857 1
519 . 1 . 1 43 43 LEU CG C 13 26.972 0.000 . 1 . . . . . 46 LEU CG . 51857 1
520 . 1 . 1 43 43 LEU CD1 C 13 24.858 0.000 . 2 . . . . . 46 LEU CD1 . 51857 1
521 . 1 . 1 43 43 LEU CD2 C 13 23.482 0.000 . 2 . . . . . 46 LEU CD2 . 51857 1
522 . 1 . 1 43 43 LEU N N 15 123.897 0.122 . 1 . . . . . 46 LEU N . 51857 1
523 . 1 . 1 44 44 GLU H H 1 8.221 0.003 . 1 . . . . . 47 GLU H . 51857 1
524 . 1 . 1 44 44 GLU HA H 1 4.042 0.003 . 1 . . . . . 47 GLU HA . 51857 1
525 . 1 . 1 44 44 GLU HB2 H 1 1.900 0.016 . 1 . . . . . 47 GLU HB2 . 51857 1
526 . 1 . 1 44 44 GLU HB3 H 1 1.900 0.016 . 1 . . . . . 47 GLU HB3 . 51857 1
527 . 1 . 1 44 44 GLU HG2 H 1 2.078 0.012 . 1 . . . . . 47 GLU HG2 . 51857 1
528 . 1 . 1 44 44 GLU HG3 H 1 2.078 0.012 . 1 . . . . . 47 GLU HG3 . 51857 1
529 . 1 . 1 44 44 GLU C C 13 176.241 0.087 . 1 . . . . . 47 GLU C . 51857 1
530 . 1 . 1 44 44 GLU CA C 13 56.857 0.107 . 1 . . . . . 47 GLU CA . 51857 1
531 . 1 . 1 44 44 GLU CB C 13 30.015 0.097 . 1 . . . . . 47 GLU CB . 51857 1
532 . 1 . 1 44 44 GLU N N 15 120.527 0.173 . 1 . . . . . 47 GLU N . 51857 1
533 . 1 . 1 45 45 ASP H H 1 7.983 0.016 . 1 . . . . . 48 ASP H . 51857 1
534 . 1 . 1 45 45 ASP HA H 1 4.346 0.009 . 1 . . . . . 48 ASP HA . 51857 1
535 . 1 . 1 45 45 ASP HB2 H 1 2.612 0.526 . 1 . . . . . 48 ASP HB2 . 51857 1
536 . 1 . 1 45 45 ASP HB3 H 1 2.612 0.526 . 1 . . . . . 48 ASP HB3 . 51857 1
537 . 1 . 1 45 45 ASP C C 13 175.916 0.020 . 1 . . . . . 48 ASP C . 51857 1
538 . 1 . 1 45 45 ASP CA C 13 54.579 0.032 . 1 . . . . . 48 ASP CA . 51857 1
539 . 1 . 1 45 45 ASP CB C 13 41.108 0.068 . 1 . . . . . 48 ASP CB . 51857 1
540 . 1 . 1 45 45 ASP N N 15 120.186 0.041 . 1 . . . . . 48 ASP N . 51857 1
541 . 1 . 1 46 46 ASP H H 1 8.016 0.008 . 1 . . . . . 49 ASP H . 51857 1
542 . 1 . 1 46 46 ASP HA H 1 4.700 0.702 . 1 . . . . . 49 ASP HA . 51857 1
543 . 1 . 1 46 46 ASP HB2 H 1 2.393 0.000 . 1 . . . . . 49 ASP HB2 . 51857 1
544 . 1 . 1 46 46 ASP HB3 H 1 2.393 0.000 . 1 . . . . . 49 ASP HB3 . 51857 1
545 . 1 . 1 46 46 ASP C C 13 176.513 0.021 . 1 . . . . . 49 ASP C . 51857 1
546 . 1 . 1 46 46 ASP CA C 13 54.495 0.047 . 1 . . . . . 49 ASP CA . 51857 1
547 . 1 . 1 46 46 ASP CB C 13 40.873 0.024 . 1 . . . . . 49 ASP CB . 51857 1
548 . 1 . 1 46 46 ASP N N 15 120.056 0.034 . 1 . . . . . 49 ASP N . 51857 1
549 . 1 . 1 47 47 TYR H H 1 7.898 0.006 . 1 . . . . . 50 TYR H . 51857 1
550 . 1 . 1 47 47 TYR HB2 H 1 2.919 0.007 . 2 . . . . . 50 TYR HB2 . 51857 1
551 . 1 . 1 47 47 TYR HB3 H 1 2.923 0.005 . 2 . . . . . 50 TYR HB3 . 51857 1
552 . 1 . 1 47 47 TYR HE1 H 1 6.644 0.004 . 1 . . . . . 50 TYR HE1 . 51857 1
553 . 1 . 1 47 47 TYR HE2 H 1 6.644 0.004 . 1 . . . . . 50 TYR HE2 . 51857 1
554 . 1 . 1 47 47 TYR C C 13 176.112 0.010 . 1 . . . . . 50 TYR C . 51857 1
555 . 1 . 1 47 47 TYR CA C 13 58.481 0.009 . 1 . . . . . 50 TYR CA . 51857 1
556 . 1 . 1 47 47 TYR CB C 13 38.160 0.115 . 1 . . . . . 50 TYR CB . 51857 1
557 . 1 . 1 47 47 TYR N N 15 120.127 0.046 . 1 . . . . . 50 TYR N . 51857 1
558 . 1 . 1 48 48 ALA H H 1 7.873 0.007 . 1 . . . . . 51 ALA H . 51857 1
559 . 1 . 1 48 48 ALA HA H 1 4.240 0.000 . 1 . . . . . 51 ALA HA . 51857 1
560 . 1 . 1 48 48 ALA HB1 H 1 1.371 0.546 . 1 . . . . . 51 ALA HB1 . 51857 1
561 . 1 . 1 48 48 ALA HB2 H 1 1.371 0.546 . 1 . . . . . 51 ALA HB2 . 51857 1
562 . 1 . 1 48 48 ALA HB3 H 1 1.371 0.546 . 1 . . . . . 51 ALA HB3 . 51857 1
563 . 1 . 1 48 48 ALA C C 13 177.938 0.020 . 1 . . . . . 51 ALA C . 51857 1
564 . 1 . 1 48 48 ALA CA C 13 53.416 0.037 . 1 . . . . . 51 ALA CA . 51857 1
565 . 1 . 1 48 48 ALA CB C 13 18.782 0.087 . 1 . . . . . 51 ALA CB . 51857 1
566 . 1 . 1 48 48 ALA N N 15 123.263 0.124 . 1 . . . . . 51 ALA N . 51857 1
567 . 1 . 1 49 49 ASN H H 1 7.919 0.010 . 1 . . . . . 52 ASN H . 51857 1
568 . 1 . 1 49 49 ASN HA H 1 4.449 0.017 . 1 . . . . . 52 ASN HA . 51857 1
569 . 1 . 1 49 49 ASN HB2 H 1 2.512 0.014 . 2 . . . . . 52 ASN HB2 . 51857 1
570 . 1 . 1 49 49 ASN HB3 H 1 2.502 0.026 . 2 . . . . . 52 ASN HB3 . 51857 1
571 . 1 . 1 49 49 ASN HD21 H 1 7.498 0.008 . 1 . . . . . 52 ASN HD21 . 51857 1
572 . 1 . 1 49 49 ASN HD22 H 1 6.713 0.034 . 1 . . . . . 52 ASN HD22 . 51857 1
573 . 1 . 1 49 49 ASN C C 13 175.345 0.014 . 1 . . . . . 52 ASN C . 51857 1
574 . 1 . 1 49 49 ASN CA C 13 53.406 0.108 . 1 . . . . . 52 ASN CA . 51857 1
575 . 1 . 1 49 49 ASN CB C 13 38.711 0.059 . 1 . . . . . 52 ASN CB . 51857 1
576 . 1 . 1 49 49 ASN N N 15 116.045 0.090 . 1 . . . . . 52 ASN N . 51857 1
577 . 1 . 1 49 49 ASN ND2 N 15 112.831 0.301 . 1 . . . . . 52 ASN ND2 . 51857 1
578 . 1 . 1 50 50 ALA H H 1 7.830 0.012 . 1 . . . . . 53 ALA H . 51857 1
579 . 1 . 1 50 50 ALA HA H 1 4.000 0.033 . 1 . . . . . 53 ALA HA . 51857 1
580 . 1 . 1 50 50 ALA HB1 H 1 1.362 0.615 . 1 . . . . . 53 ALA HB1 . 51857 1
581 . 1 . 1 50 50 ALA HB2 H 1 1.362 0.615 . 1 . . . . . 53 ALA HB2 . 51857 1
582 . 1 . 1 50 50 ALA HB3 H 1 1.362 0.615 . 1 . . . . . 53 ALA HB3 . 51857 1
583 . 1 . 1 50 50 ALA C C 13 177.651 0.008 . 1 . . . . . 53 ALA C . 51857 1
584 . 1 . 1 50 50 ALA CA C 13 53.166 0.119 . 1 . . . . . 53 ALA CA . 51857 1
585 . 1 . 1 50 50 ALA CB C 13 18.754 0.033 . 1 . . . . . 53 ALA CB . 51857 1
586 . 1 . 1 50 50 ALA N N 15 123.424 0.060 . 1 . . . . . 53 ALA N . 51857 1
587 . 1 . 1 51 51 TRP H H 1 7.821 0.006 . 1 . . . . . 54 TRP H . 51857 1
588 . 1 . 1 51 51 TRP HA H 1 4.505 0.000 . 1 . . . . . 54 TRP HA . 51857 1
589 . 1 . 1 51 51 TRP HB2 H 1 3.037 0.003 . 1 . . . . . 54 TRP HB2 . 51857 1
590 . 1 . 1 51 51 TRP HB3 H 1 3.037 0.003 . 1 . . . . . 54 TRP HB3 . 51857 1
591 . 1 . 1 51 51 TRP HD1 H 1 7.001 0.000 . 1 . . . . . 54 TRP HD1 . 51857 1
592 . 1 . 1 51 51 TRP HE1 H 1 9.849 0.000 . 1 . . . . . 54 TRP HE1 . 51857 1
593 . 1 . 1 51 51 TRP HE3 H 1 7.001 0.000 . 1 . . . . . 54 TRP HE3 . 51857 1
594 . 1 . 1 51 51 TRP HZ2 H 1 7.001 0.000 . 1 . . . . . 54 TRP HZ2 . 51857 1
595 . 1 . 1 51 51 TRP HZ3 H 1 7.001 0.000 . 1 . . . . . 54 TRP HZ3 . 51857 1
596 . 1 . 1 51 51 TRP HH2 H 1 7.001 0.000 . 1 . . . . . 54 TRP HH2 . 51857 1
597 . 1 . 1 51 51 TRP C C 13 176.516 0.007 . 1 . . . . . 54 TRP C . 51857 1
598 . 1 . 1 51 51 TRP CA C 13 57.726 0.025 . 1 . . . . . 54 TRP CA . 51857 1
599 . 1 . 1 51 51 TRP CB C 13 29.060 0.084 . 1 . . . . . 54 TRP CB . 51857 1
600 . 1 . 1 51 51 TRP N N 15 118.963 0.057 . 1 . . . . . 54 TRP N . 51857 1
601 . 1 . 1 51 51 TRP NE1 N 15 128.443 0.000 . 1 . . . . . 54 TRP NE1 . 51857 1
602 . 1 . 1 52 52 GLN H H 1 7.664 0.012 . 1 . . . . . 55 GLN H . 51857 1
603 . 1 . 1 52 52 GLN HA H 1 3.939 0.000 . 1 . . . . . 55 GLN HA . 51857 1
604 . 1 . 1 52 52 GLN HB2 H 1 1.882 0.000 . 1 . . . . . 55 GLN HB2 . 51857 1
605 . 1 . 1 52 52 GLN HB3 H 1 1.882 0.000 . 1 . . . . . 55 GLN HB3 . 51857 1
606 . 1 . 1 52 52 GLN HE21 H 1 7.157 0.009 . 1 . . . . . 55 GLN HE21 . 51857 1
607 . 1 . 1 52 52 GLN HE22 H 1 6.616 0.009 . 1 . . . . . 55 GLN HE22 . 51857 1
608 . 1 . 1 52 52 GLN C C 13 175.890 0.009 . 1 . . . . . 55 GLN C . 51857 1
609 . 1 . 1 52 52 GLN CA C 13 56.187 0.081 . 1 . . . . . 55 GLN CA . 51857 1
610 . 1 . 1 52 52 GLN CB C 13 29.163 0.067 . 1 . . . . . 55 GLN CB . 51857 1
611 . 1 . 1 52 52 GLN CG C 13 33.354 0.043 . 1 . . . . . 55 GLN CG . 51857 1
612 . 1 . 1 52 52 GLN N N 15 121.045 0.056 . 1 . . . . . 55 GLN N . 51857 1
613 . 1 . 1 52 52 GLN NE2 N 15 111.206 0.024 . 1 . . . . . 55 GLN NE2 . 51857 1
614 . 1 . 1 53 53 GLU H H 1 7.922 0.008 . 1 . . . . . 56 GLU H . 51857 1
615 . 1 . 1 53 53 GLU HA H 1 3.926 0.021 . 1 . . . . . 56 GLU HA . 51857 1
616 . 1 . 1 53 53 GLU HB2 H 1 1.730 0.015 . 1 . . . . . 56 GLU HB2 . 51857 1
617 . 1 . 1 53 53 GLU HB3 H 1 1.730 0.015 . 1 . . . . . 56 GLU HB3 . 51857 1
618 . 1 . 1 53 53 GLU HG2 H 1 1.994 0.004 . 1 . . . . . 56 GLU HG2 . 51857 1
619 . 1 . 1 53 53 GLU HG3 H 1 1.994 0.004 . 1 . . . . . 56 GLU HG3 . 51857 1
620 . 1 . 1 53 53 GLU C C 13 176.478 0.018 . 1 . . . . . 56 GLU C . 51857 1
621 . 1 . 1 53 53 GLU CA C 13 56.770 0.017 . 1 . . . . . 56 GLU CA . 51857 1
622 . 1 . 1 53 53 GLU CB C 13 29.882 0.004 . 1 . . . . . 56 GLU CB . 51857 1
623 . 1 . 1 53 53 GLU N N 15 120.642 0.082 . 1 . . . . . 56 GLU N . 51857 1
624 . 1 . 1 54 54 TRP H H 1 7.886 0.005 . 1 . . . . . 57 TRP H . 51857 1
625 . 1 . 1 54 54 TRP HA H 1 4.445 0.020 . 1 . . . . . 57 TRP HA . 51857 1
626 . 1 . 1 54 54 TRP HB2 H 1 3.147 0.351 . 2 . . . . . 57 TRP HB2 . 51857 1
627 . 1 . 1 54 54 TRP HB3 H 1 3.144 0.344 . 2 . . . . . 57 TRP HB3 . 51857 1
628 . 1 . 1 54 54 TRP HD1 H 1 7.038 0.003 . 1 . . . . . 57 TRP HD1 . 51857 1
629 . 1 . 1 54 54 TRP HE1 H 1 9.930 0.004 . 1 . . . . . 57 TRP HE1 . 51857 1
630 . 1 . 1 54 54 TRP HE3 H 1 7.344 0.003 . 1 . . . . . 57 TRP HE3 . 51857 1
631 . 1 . 1 54 54 TRP HZ2 H 1 7.244 0.004 . 1 . . . . . 57 TRP HZ2 . 51857 1
632 . 1 . 1 54 54 TRP HZ3 H 1 6.876 0.003 . 1 . . . . . 57 TRP HZ3 . 51857 1
633 . 1 . 1 54 54 TRP HH2 H 1 6.976 0.003 . 1 . . . . . 57 TRP HH2 . 51857 1
634 . 1 . 1 54 54 TRP C C 13 176.340 0.014 . 1 . . . . . 57 TRP C . 51857 1
635 . 1 . 1 54 54 TRP CA C 13 57.535 0.005 . 1 . . . . . 57 TRP CA . 51857 1
636 . 1 . 1 54 54 TRP CB C 13 29.417 0.107 . 1 . . . . . 57 TRP CB . 51857 1
637 . 1 . 1 54 54 TRP N N 15 121.598 0.059 . 1 . . . . . 57 TRP N . 51857 1
638 . 1 . 1 54 54 TRP NE1 N 15 129.220 0.000 . 1 . . . . . 57 TRP NE1 . 51857 1
639 . 1 . 1 55 55 SER H H 1 7.786 0.007 . 1 . . . . . 58 SER H . 51857 1
640 . 1 . 1 55 55 SER HA H 1 4.049 0.009 . 1 . . . . . 58 SER HA . 51857 1
641 . 1 . 1 55 55 SER HB2 H 1 3.519 0.013 . 1 . . . . . 58 SER HB2 . 51857 1
642 . 1 . 1 55 55 SER HB3 H 1 3.519 0.013 . 1 . . . . . 58 SER HB3 . 51857 1
643 . 1 . 1 55 55 SER C C 13 173.866 0.012 . 1 . . . . . 58 SER C . 51857 1
644 . 1 . 1 55 55 SER CA C 13 58.193 0.015 . 1 . . . . . 58 SER CA . 51857 1
645 . 1 . 1 55 55 SER CB C 13 63.792 0.039 . 1 . . . . . 58 SER CB . 51857 1
646 . 1 . 1 55 55 SER N N 15 117.041 0.074 . 1 . . . . . 58 SER N . 51857 1
647 . 1 . 1 56 56 ALA H H 1 7.890 0.008 . 1 . . . . . 59 ALA H . 51857 1
648 . 1 . 1 56 56 ALA HA H 1 4.381 0.697 . 1 . . . . . 59 ALA HA . 51857 1
649 . 1 . 1 56 56 ALA HB1 H 1 1.418 0.583 . 1 . . . . . 59 ALA HB1 . 51857 1
650 . 1 . 1 56 56 ALA HB2 H 1 1.418 0.583 . 1 . . . . . 59 ALA HB2 . 51857 1
651 . 1 . 1 56 56 ALA HB3 H 1 1.418 0.583 . 1 . . . . . 59 ALA HB3 . 51857 1
652 . 1 . 1 56 56 ALA C C 13 177.410 0.003 . 1 . . . . . 59 ALA C . 51857 1
653 . 1 . 1 56 56 ALA CA C 13 52.430 0.035 . 1 . . . . . 59 ALA CA . 51857 1
654 . 1 . 1 56 56 ALA CB C 13 19.014 0.060 . 1 . . . . . 59 ALA CB . 51857 1
655 . 1 . 1 56 56 ALA N N 15 125.602 0.049 . 1 . . . . . 59 ALA N . 51857 1
656 . 1 . 1 57 57 ALA H H 1 7.929 0.006 . 1 . . . . . 60 ALA H . 51857 1
657 . 1 . 1 57 57 ALA HA H 1 4.330 0.616 . 1 . . . . . 60 ALA HA . 51857 1
658 . 1 . 1 57 57 ALA HB1 H 1 1.453 0.615 . 1 . . . . . 60 ALA HB1 . 51857 1
659 . 1 . 1 57 57 ALA HB2 H 1 1.453 0.615 . 1 . . . . . 60 ALA HB2 . 51857 1
660 . 1 . 1 57 57 ALA HB3 H 1 1.453 0.615 . 1 . . . . . 60 ALA HB3 . 51857 1
661 . 1 . 1 57 57 ALA C C 13 178.066 0.007 . 1 . . . . . 60 ALA C . 51857 1
662 . 1 . 1 57 57 ALA CA C 13 52.609 0.037 . 1 . . . . . 60 ALA CA . 51857 1
663 . 1 . 1 57 57 ALA CB C 13 19.130 0.038 . 1 . . . . . 60 ALA CB . 51857 1
664 . 1 . 1 57 57 ALA N N 15 122.560 0.064 . 1 . . . . . 60 ALA N . 51857 1
665 . 1 . 1 58 58 GLY H H 1 8.019 0.007 . 1 . . . . . 61 GLY H . 51857 1
666 . 1 . 1 58 58 GLY HA2 H 1 4.052 0.656 . 1 . . . . . 61 GLY HA2 . 51857 1
667 . 1 . 1 58 58 GLY HA3 H 1 4.052 0.656 . 1 . . . . . 61 GLY HA3 . 51857 1
668 . 1 . 1 58 58 GLY C C 13 173.789 0.001 . 1 . . . . . 61 GLY C . 51857 1
669 . 1 . 1 58 58 GLY CA C 13 45.124 0.014 . 1 . . . . . 61 GLY CA . 51857 1
670 . 1 . 1 58 58 GLY N N 15 107.484 0.050 . 1 . . . . . 61 GLY N . 51857 1
671 . 1 . 1 59 59 ASP H H 1 8.044 0.007 . 1 . . . . . 62 ASP H . 51857 1
672 . 1 . 1 59 59 ASP HA H 1 4.499 0.009 . 1 . . . . . 62 ASP HA . 51857 1
673 . 1 . 1 59 59 ASP HB2 H 1 2.525 0.001 . 1 . . . . . 62 ASP HB2 . 51857 1
674 . 1 . 1 59 59 ASP HB3 H 1 2.525 0.001 . 1 . . . . . 62 ASP HB3 . 51857 1
675 . 1 . 1 59 59 ASP C C 13 176.550 0.004 . 1 . . . . . 62 ASP C . 51857 1
676 . 1 . 1 59 59 ASP CA C 13 54.239 0.025 . 1 . . . . . 62 ASP CA . 51857 1
677 . 1 . 1 59 59 ASP CB C 13 41.100 0.030 . 1 . . . . . 62 ASP CB . 51857 1
678 . 1 . 1 59 59 ASP N N 15 120.323 0.059 . 1 . . . . . 62 ASP N . 51857 1
679 . 1 . 1 60 60 THR H H 1 7.948 0.007 . 1 . . . . . 63 THR H . 51857 1
680 . 1 . 1 60 60 THR HA H 1 4.076 0.011 . 1 . . . . . 63 THR HA . 51857 1
681 . 1 . 1 60 60 THR HB H 1 4.066 0.012 . 1 . . . . . 63 THR HB . 51857 1
682 . 1 . 1 60 60 THR HG21 H 1 0.979 0.011 . 1 . . . . . 63 THR HG21 . 51857 1
683 . 1 . 1 60 60 THR HG22 H 1 0.979 0.011 . 1 . . . . . 63 THR HG22 . 51857 1
684 . 1 . 1 60 60 THR HG23 H 1 0.979 0.011 . 1 . . . . . 63 THR HG23 . 51857 1
685 . 1 . 1 60 60 THR C C 13 174.350 0.010 . 1 . . . . . 63 THR C . 51857 1
686 . 1 . 1 60 60 THR CA C 13 61.935 0.057 . 1 . . . . . 63 THR CA . 51857 1
687 . 1 . 1 60 60 THR CB C 13 69.610 0.010 . 1 . . . . . 63 THR CB . 51857 1
688 . 1 . 1 60 60 THR N N 15 113.605 0.087 . 1 . . . . . 63 THR N . 51857 1
689 . 1 . 1 61 61 ASP H H 1 8.164 0.010 . 1 . . . . . 64 ASP H . 51857 1
690 . 1 . 1 61 61 ASP HA H 1 4.391 0.020 . 1 . . . . . 64 ASP HA . 51857 1
691 . 1 . 1 61 61 ASP HB2 H 1 2.407 0.019 . 1 . . . . . 64 ASP HB2 . 51857 1
692 . 1 . 1 61 61 ASP HB3 H 1 2.407 0.019 . 1 . . . . . 64 ASP HB3 . 51857 1
693 . 1 . 1 61 61 ASP C C 13 176.002 0.004 . 1 . . . . . 64 ASP C . 51857 1
694 . 1 . 1 61 61 ASP CA C 13 54.554 0.061 . 1 . . . . . 64 ASP CA . 51857 1
695 . 1 . 1 61 61 ASP CB C 13 40.970 0.045 . 1 . . . . . 64 ASP CB . 51857 1
696 . 1 . 1 61 61 ASP N N 15 122.470 0.046 . 1 . . . . . 64 ASP N . 51857 1
697 . 1 . 1 62 62 ALA H H 1 7.916 0.009 . 1 . . . . . 65 ALA H . 51857 1
698 . 1 . 1 62 62 ALA HA H 1 4.299 0.552 . 1 . . . . . 65 ALA HA . 51857 1
699 . 1 . 1 62 62 ALA HB1 H 1 1.256 0.467 . 1 . . . . . 65 ALA HB1 . 51857 1
700 . 1 . 1 62 62 ALA HB2 H 1 1.256 0.467 . 1 . . . . . 65 ALA HB2 . 51857 1
701 . 1 . 1 62 62 ALA HB3 H 1 1.256 0.467 . 1 . . . . . 65 ALA HB3 . 51857 1
702 . 1 . 1 62 62 ALA C C 13 177.437 0.002 . 1 . . . . . 65 ALA C . 51857 1
703 . 1 . 1 62 62 ALA CA C 13 52.566 0.034 . 1 . . . . . 65 ALA CA . 51857 1
704 . 1 . 1 62 62 ALA CB C 13 18.926 0.068 . 1 . . . . . 65 ALA CB . 51857 1
705 . 1 . 1 62 62 ALA N N 15 123.611 0.054 . 1 . . . . . 65 ALA N . 51857 1
706 . 1 . 1 63 63 TRP H H 1 7.859 0.006 . 1 . . . . . 66 TRP H . 51857 1
707 . 1 . 1 63 63 TRP HA H 1 4.476 0.007 . 1 . . . . . 66 TRP HA . 51857 1
708 . 1 . 1 63 63 TRP HB2 H 1 3.214 0.388 . 2 . . . . . 66 TRP HB2 . 51857 1
709 . 1 . 1 63 63 TRP HB3 H 1 3.216 0.387 . 2 . . . . . 66 TRP HB3 . 51857 1
710 . 1 . 1 63 63 TRP HD1 H 1 7.098 0.004 . 1 . . . . . 66 TRP HD1 . 51857 1
711 . 1 . 1 63 63 TRP HE1 H 1 9.946 0.018 . 1 . . . . . 66 TRP HE1 . 51857 1
712 . 1 . 1 63 63 TRP HE3 H 1 7.428 0.004 . 1 . . . . . 66 TRP HE3 . 51857 1
713 . 1 . 1 63 63 TRP HZ2 H 1 7.298 0.005 . 1 . . . . . 66 TRP HZ2 . 51857 1
714 . 1 . 1 63 63 TRP HZ3 H 1 6.954 0.005 . 1 . . . . . 66 TRP HZ3 . 51857 1
715 . 1 . 1 63 63 TRP HH2 H 1 7.025 0.004 . 1 . . . . . 66 TRP HH2 . 51857 1
716 . 1 . 1 63 63 TRP C C 13 176.172 0.004 . 1 . . . . . 66 TRP C . 51857 1
717 . 1 . 1 63 63 TRP CA C 13 57.321 0.009 . 1 . . . . . 66 TRP CA . 51857 1
718 . 1 . 1 63 63 TRP CB C 13 29.305 0.085 . 1 . . . . . 66 TRP CB . 51857 1
719 . 1 . 1 63 63 TRP N N 15 119.960 0.064 . 1 . . . . . 66 TRP N . 51857 1
720 . 1 . 1 63 63 TRP NE1 N 15 129.224 0.108 . 1 . . . . . 66 TRP NE1 . 51857 1
721 . 1 . 1 64 64 GLU H H 1 7.955 0.021 . 1 . . . . . 67 GLU H . 51857 1
722 . 1 . 1 64 64 GLU HA H 1 3.963 0.018 . 1 . . . . . 67 GLU HA . 51857 1
723 . 1 . 1 64 64 GLU HB2 H 1 1.677 0.002 . 1 . . . . . 67 GLU HB2 . 51857 1
724 . 1 . 1 64 64 GLU HB3 H 1 1.677 0.002 . 1 . . . . . 67 GLU HB3 . 51857 1
725 . 1 . 1 64 64 GLU HG2 H 1 1.896 0.014 . 1 . . . . . 67 GLU HG2 . 51857 1
726 . 1 . 1 64 64 GLU HG3 H 1 1.896 0.014 . 1 . . . . . 67 GLU HG3 . 51857 1
727 . 1 . 1 64 64 GLU C C 13 175.912 0.016 . 1 . . . . . 67 GLU C . 51857 1
728 . 1 . 1 64 64 GLU CA C 13 56.417 0.065 . 1 . . . . . 67 GLU CA . 51857 1
729 . 1 . 1 64 64 GLU CB C 13 30.311 0.047 . 1 . . . . . 67 GLU CB . 51857 1
730 . 1 . 1 64 64 GLU N N 15 122.072 0.106 . 1 . . . . . 67 GLU N . 51857 1
731 . 1 . 1 65 65 GLN H H 1 8.057 0.007 . 1 . . . . . 68 GLN H . 51857 1
732 . 1 . 1 65 65 GLN HA H 1 4.117 0.024 . 1 . . . . . 68 GLN HA . 51857 1
733 . 1 . 1 65 65 GLN HB2 H 1 1.877 0.008 . 1 . . . . . 68 GLN HB2 . 51857 1
734 . 1 . 1 65 65 GLN HB3 H 1 1.877 0.008 . 1 . . . . . 68 GLN HB3 . 51857 1
735 . 1 . 1 65 65 GLN HG2 H 1 2.145 0.001 . 1 . . . . . 68 GLN HG2 . 51857 1
736 . 1 . 1 65 65 GLN HG3 H 1 2.145 0.001 . 1 . . . . . 68 GLN HG3 . 51857 1
737 . 1 . 1 65 65 GLN HE21 H 1 7.368 0.008 . 1 . . . . . 68 GLN HE21 . 51857 1
738 . 1 . 1 65 65 GLN HE22 H 1 6.682 0.007 . 1 . . . . . 68 GLN HE22 . 51857 1
739 . 1 . 1 65 65 GLN C C 13 175.943 0.009 . 1 . . . . . 68 GLN C . 51857 1
740 . 1 . 1 65 65 GLN CA C 13 55.742 0.032 . 1 . . . . . 68 GLN CA . 51857 1
741 . 1 . 1 65 65 GLN CB C 13 29.416 0.043 . 1 . . . . . 68 GLN CB . 51857 1
742 . 1 . 1 65 65 GLN CG C 13 33.659 0.045 . 1 . . . . . 68 GLN CG . 51857 1
743 . 1 . 1 65 65 GLN N N 15 120.915 0.014 . 1 . . . . . 68 GLN N . 51857 1
744 . 1 . 1 65 65 GLN NE2 N 15 111.803 0.032 . 1 . . . . . 68 GLN NE2 . 51857 1
745 . 1 . 1 66 66 THR H H 1 8.070 0.007 . 1 . . . . . 69 THR H . 51857 1
746 . 1 . 1 66 66 THR HA H 1 4.188 0.014 . 1 . . . . . 69 THR HA . 51857 1
747 . 1 . 1 66 66 THR HB H 1 3.998 0.008 . 1 . . . . . 69 THR HB . 51857 1
748 . 1 . 1 66 66 THR HG21 H 1 1.008 0.005 . 1 . . . . . 69 THR HG21 . 51857 1
749 . 1 . 1 66 66 THR HG22 H 1 1.008 0.005 . 1 . . . . . 69 THR HG22 . 51857 1
750 . 1 . 1 66 66 THR HG23 H 1 1.008 0.005 . 1 . . . . . 69 THR HG23 . 51857 1
751 . 1 . 1 66 66 THR C C 13 174.408 0.002 . 1 . . . . . 69 THR C . 51857 1
752 . 1 . 1 66 66 THR CA C 13 61.810 0.031 . 1 . . . . . 69 THR CA . 51857 1
753 . 1 . 1 66 66 THR CB C 13 69.733 0.012 . 1 . . . . . 69 THR CB . 51857 1
754 . 1 . 1 66 66 THR CG2 C 13 21.501 0.000 . 1 . . . . . 69 THR CG2 . 51857 1
755 . 1 . 1 66 66 THR N N 15 116.198 0.066 . 1 . . . . . 69 THR N . 51857 1
756 . 1 . 1 67 67 VAL H H 1 8.041 0.005 . 1 . . . . . 70 VAL H . 51857 1
757 . 1 . 1 67 67 VAL HA H 1 3.980 0.011 . 1 . . . . . 70 VAL HA . 51857 1
758 . 1 . 1 67 67 VAL HB H 1 1.890 0.003 . 1 . . . . . 70 VAL HB . 51857 1
759 . 1 . 1 67 67 VAL HG11 H 1 0.752 0.001 . 1 . . . . . 70 VAL HG11 . 51857 1
760 . 1 . 1 67 67 VAL HG12 H 1 0.752 0.001 . 1 . . . . . 70 VAL HG12 . 51857 1
761 . 1 . 1 67 67 VAL HG13 H 1 0.752 0.001 . 1 . . . . . 70 VAL HG13 . 51857 1
762 . 1 . 1 67 67 VAL HG21 H 1 0.752 0.001 . 1 . . . . . 70 VAL HG21 . 51857 1
763 . 1 . 1 67 67 VAL HG22 H 1 0.752 0.001 . 1 . . . . . 70 VAL HG22 . 51857 1
764 . 1 . 1 67 67 VAL HG23 H 1 0.752 0.001 . 1 . . . . . 70 VAL HG23 . 51857 1
765 . 1 . 1 67 67 VAL C C 13 176.421 0.004 . 1 . . . . . 70 VAL C . 51857 1
766 . 1 . 1 67 67 VAL CA C 13 62.247 0.041 . 1 . . . . . 70 VAL CA . 51857 1
767 . 1 . 1 67 67 VAL CB C 13 32.748 0.044 . 1 . . . . . 70 VAL CB . 51857 1
768 . 1 . 1 67 67 VAL N N 15 122.399 0.064 . 1 . . . . . 70 VAL N . 51857 1
769 . 1 . 1 68 68 GLY H H 1 8.253 0.005 . 1 . . . . . 71 GLY H . 51857 1
770 . 1 . 1 68 68 GLY HA2 H 1 4.063 0.615 . 1 . . . . . 71 GLY HA2 . 51857 1
771 . 1 . 1 68 68 GLY HA3 H 1 4.063 0.615 . 1 . . . . . 71 GLY HA3 . 51857 1
772 . 1 . 1 68 68 GLY C C 13 173.725 0.002 . 1 . . . . . 71 GLY C . 51857 1
773 . 1 . 1 68 68 GLY CA C 13 45.078 0.024 . 1 . . . . . 71 GLY CA . 51857 1
774 . 1 . 1 68 68 GLY N N 15 112.333 0.051 . 1 . . . . . 71 GLY N . 51857 1
775 . 1 . 1 69 69 ASP H H 1 8.133 0.007 . 1 . . . . . 72 ASP H . 51857 1
776 . 1 . 1 69 69 ASP HA H 1 4.422 0.004 . 1 . . . . . 72 ASP HA . 51857 1
777 . 1 . 1 69 69 ASP HB2 H 1 2.517 0.003 . 1 . . . . . 72 ASP HB2 . 51857 1
778 . 1 . 1 69 69 ASP HB3 H 1 2.517 0.003 . 1 . . . . . 72 ASP HB3 . 51857 1
779 . 1 . 1 69 69 ASP C C 13 176.841 0.017 . 1 . . . . . 72 ASP C . 51857 1
780 . 1 . 1 69 69 ASP CA C 13 54.289 0.043 . 1 . . . . . 72 ASP CA . 51857 1
781 . 1 . 1 69 69 ASP CB C 13 41.158 0.035 . 1 . . . . . 72 ASP CB . 51857 1
782 . 1 . 1 69 69 ASP N N 15 120.337 0.041 . 1 . . . . . 72 ASP N . 51857 1
783 . 1 . 1 70 70 GLY H H 1 8.313 0.006 . 1 . . . . . 73 GLY H . 51857 1
784 . 1 . 1 70 70 GLY HA2 H 1 3.983 0.551 . 1 . . . . . 73 GLY HA2 . 51857 1
785 . 1 . 1 70 70 GLY HA3 H 1 3.983 0.551 . 1 . . . . . 73 GLY HA3 . 51857 1
786 . 1 . 1 70 70 GLY C C 13 174.289 0.004 . 1 . . . . . 73 GLY C . 51857 1
787 . 1 . 1 70 70 GLY CA C 13 45.342 0.091 . 1 . . . . . 73 GLY CA . 51857 1
788 . 1 . 1 70 70 GLY N N 15 109.296 0.054 . 1 . . . . . 73 GLY N . 51857 1
789 . 1 . 1 71 71 VAL H H 1 7.865 0.007 . 1 . . . . . 74 VAL H . 51857 1
790 . 1 . 1 71 71 VAL HA H 1 3.945 0.005 . 1 . . . . . 74 VAL HA . 51857 1
791 . 1 . 1 71 71 VAL HB H 1 1.946 0.006 . 1 . . . . . 74 VAL HB . 51857 1
792 . 1 . 1 71 71 VAL HG11 H 1 0.745 0.008 . 1 . . . . . 74 VAL HG11 . 51857 1
793 . 1 . 1 71 71 VAL HG12 H 1 0.745 0.008 . 1 . . . . . 74 VAL HG12 . 51857 1
794 . 1 . 1 71 71 VAL HG13 H 1 0.745 0.008 . 1 . . . . . 74 VAL HG13 . 51857 1
795 . 1 . 1 71 71 VAL HG21 H 1 0.745 0.008 . 1 . . . . . 74 VAL HG21 . 51857 1
796 . 1 . 1 71 71 VAL HG22 H 1 0.745 0.008 . 1 . . . . . 74 VAL HG22 . 51857 1
797 . 1 . 1 71 71 VAL HG23 H 1 0.745 0.008 . 1 . . . . . 74 VAL HG23 . 51857 1
798 . 1 . 1 71 71 VAL C C 13 176.775 0.008 . 1 . . . . . 74 VAL C . 51857 1
799 . 1 . 1 71 71 VAL CA C 13 62.552 0.020 . 1 . . . . . 74 VAL CA . 51857 1
800 . 1 . 1 71 71 VAL CB C 13 32.403 0.041 . 1 . . . . . 74 VAL CB . 51857 1
801 . 1 . 1 71 71 VAL N N 15 119.142 0.057 . 1 . . . . . 74 VAL N . 51857 1
802 . 1 . 1 72 72 GLY H H 1 8.355 0.005 . 1 . . . . . 75 GLY H . 51857 1
803 . 1 . 1 72 72 GLY HA2 H 1 4.043 0.614 . 1 . . . . . 75 GLY HA2 . 51857 1
804 . 1 . 1 72 72 GLY HA3 H 1 4.043 0.614 . 1 . . . . . 75 GLY HA3 . 51857 1
805 . 1 . 1 72 72 GLY C C 13 173.688 0.013 . 1 . . . . . 75 GLY C . 51857 1
806 . 1 . 1 72 72 GLY CA C 13 45.113 0.017 . 1 . . . . . 75 GLY CA . 51857 1
807 . 1 . 1 72 72 GLY N N 15 112.101 0.053 . 1 . . . . . 75 GLY N . 51857 1
808 . 1 . 1 73 73 ASP H H 1 8.019 0.007 . 1 . . . . . 76 ASP H . 51857 1
809 . 1 . 1 73 73 ASP HA H 1 4.440 0.014 . 1 . . . . . 76 ASP HA . 51857 1
810 . 1 . 1 73 73 ASP HB2 H 1 2.441 0.007 . 1 . . . . . 76 ASP HB2 . 51857 1
811 . 1 . 1 73 73 ASP HB3 H 1 2.441 0.007 . 1 . . . . . 76 ASP HB3 . 51857 1
812 . 1 . 1 73 73 ASP C C 13 175.539 0.001 . 1 . . . . . 76 ASP C . 51857 1
813 . 1 . 1 73 73 ASP CA C 13 53.954 0.025 . 1 . . . . . 76 ASP CA . 51857 1
814 . 1 . 1 73 73 ASP CB C 13 41.194 0.045 . 1 . . . . . 76 ASP CB . 51857 1
815 . 1 . 1 73 73 ASP N N 15 120.391 0.059 . 1 . . . . . 76 ASP N . 51857 1
816 . 1 . 1 74 74 ALA H H 1 7.987 0.005 . 1 . . . . . 77 ALA H . 51857 1
817 . 1 . 1 74 74 ALA HA H 1 4.578 0.525 . 1 . . . . . 77 ALA HA . 51857 1
818 . 1 . 1 74 74 ALA HB1 H 1 1.404 0.579 . 1 . . . . . 77 ALA HB1 . 51857 1
819 . 1 . 1 74 74 ALA HB2 H 1 1.404 0.579 . 1 . . . . . 77 ALA HB2 . 51857 1
820 . 1 . 1 74 74 ALA HB3 H 1 1.404 0.579 . 1 . . . . . 77 ALA HB3 . 51857 1
821 . 1 . 1 74 74 ALA C C 13 175.267 0.000 . 1 . . . . . 77 ALA C . 51857 1
822 . 1 . 1 74 74 ALA CA C 13 50.433 0.097 . 1 . . . . . 77 ALA CA . 51857 1
823 . 1 . 1 74 74 ALA CB C 13 18.093 0.143 . 1 . . . . . 77 ALA CB . 51857 1
824 . 1 . 1 74 74 ALA N N 15 125.156 0.059 . 1 . . . . . 77 ALA N . 51857 1
825 . 1 . 1 75 75 PRO HA H 1 4.423 0.551 . 1 . . . . . 78 PRO HA . 51857 1
826 . 1 . 1 75 75 PRO HB2 H 1 2.320 0.583 . 1 . . . . . 78 PRO HB2 . 51857 1
827 . 1 . 1 75 75 PRO HB3 H 1 2.320 0.583 . 1 . . . . . 78 PRO HB3 . 51857 1
828 . 1 . 1 75 75 PRO HG2 H 1 1.830 0.024 . 1 . . . . . 78 PRO HG2 . 51857 1
829 . 1 . 1 75 75 PRO HG3 H 1 1.830 0.024 . 1 . . . . . 78 PRO HG3 . 51857 1
830 . 1 . 1 75 75 PRO HD2 H 1 3.894 0.761 . 2 . . . . . 78 PRO HD2 . 51857 1
831 . 1 . 1 75 75 PRO HD3 H 1 3.961 0.702 . 2 . . . . . 78 PRO HD3 . 51857 1
832 . 1 . 1 75 75 PRO C C 13 176.004 0.002 . 1 . . . . . 78 PRO C . 51857 1
833 . 1 . 1 75 75 PRO CA C 13 63.126 0.034 . 1 . . . . . 78 PRO CA . 51857 1
834 . 1 . 1 75 75 PRO CB C 13 31.792 0.060 . 1 . . . . . 78 PRO CB . 51857 1
835 . 1 . 1 75 75 PRO CG C 13 27.316 0.000 . 1 . . . . . 78 PRO CG . 51857 1
836 . 1 . 1 75 75 PRO CD C 13 50.233 0.028 . 1 . . . . . 78 PRO CD . 51857 1
837 . 1 . 1 76 76 ARG H H 1 7.858 0.006 . 1 . . . . . 79 ARG H . 51857 1
838 . 1 . 1 76 76 ARG HA H 1 4.294 0.653 . 1 . . . . . 79 ARG HA . 51857 1
839 . 1 . 1 76 76 ARG HB2 H 1 1.980 0.647 . 1 . . . . . 79 ARG HB2 . 51857 1
840 . 1 . 1 76 76 ARG HB3 H 1 1.980 0.647 . 1 . . . . . 79 ARG HB3 . 51857 1
841 . 1 . 1 76 76 ARG HG2 H 1 1.497 0.005 . 1 . . . . . 79 ARG HG2 . 51857 1
842 . 1 . 1 76 76 ARG HG3 H 1 1.497 0.005 . 1 . . . . . 79 ARG HG3 . 51857 1
843 . 1 . 1 76 76 ARG HD2 H 1 3.037 0.000 . 1 . . . . . 79 ARG HD2 . 51857 1
844 . 1 . 1 76 76 ARG HD3 H 1 3.037 0.000 . 1 . . . . . 79 ARG HD3 . 51857 1
845 . 1 . 1 76 76 ARG CA C 13 57.169 0.013 . 1 . . . . . 79 ARG CA . 51857 1
846 . 1 . 1 76 76 ARG CB C 13 31.541 0.023 . 1 . . . . . 79 ARG CB . 51857 1
847 . 1 . 1 76 76 ARG CG C 13 24.680 0.009 . 1 . . . . . 79 ARG CG . 51857 1
848 . 1 . 1 76 76 ARG N N 15 126.557 0.054 . 1 . . . . . 79 ARG N . 51857 1
stop_
save_