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 30901
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 HSQC' . . . 30901 1
2 '3D HNCACB' . . . 30901 1
3 '3D CBCA(CO)NH' . . . 30901 1
4 '3D H(CCO)NH' . . . 30901 1
5 '3D C(CO)NH' . . . 30901 1
6 '3D HNHA' . . . 30901 1
7 '3D 1H-13C NOESY' . . . 30901 1
8 '3D 1H-15N NOESY' . . . 30901 1
9 '3D HNCO' . . . 30901 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 3 3 THR H H 1 7.984 0.015 . 1 . . . . A 3 THR H . 30901 1
2 . 1 . 1 3 3 THR HA H 1 4.856 0 . 1 . . . . A 3 THR HA . 30901 1
3 . 1 . 1 3 3 THR C C 13 173.556 0 . 1 . . . . A 3 THR C . 30901 1
4 . 1 . 1 3 3 THR CA C 13 61.566 0 . 1 . . . . A 3 THR CA . 30901 1
5 . 1 . 1 3 3 THR CB C 13 70.224 0.111 . 1 . . . . A 3 THR CB . 30901 1
6 . 1 . 1 3 3 THR CG2 C 13 22.168 0 . 1 . . . . A 3 THR CG2 . 30901 1
7 . 1 . 1 3 3 THR N N 15 114.818 0.034 . 1 . . . . A 3 THR N . 30901 1
8 . 1 . 1 4 4 PHE H H 1 9.007 0.002 . 1 . . . . A 4 PHE H . 30901 1
9 . 1 . 1 4 4 PHE C C 13 174.375 0 . 1 . . . . A 4 PHE C . 30901 1
10 . 1 . 1 4 4 PHE CA C 13 57.457 0.07 . 1 . . . . A 4 PHE CA . 30901 1
11 . 1 . 1 4 4 PHE CB C 13 42.436 0.044 . 1 . . . . A 4 PHE CB . 30901 1
12 . 1 . 1 4 4 PHE N N 15 123.202 0.012 . 1 . . . . A 4 PHE N . 30901 1
13 . 1 . 1 5 5 GLU H H 1 9.172 0.003 . 1 . . . . A 5 GLU H . 30901 1
14 . 1 . 1 5 5 GLU HA H 1 4.935 0.181 . 1 . . . . A 5 GLU HA . 30901 1
15 . 1 . 1 5 5 GLU HB2 H 1 1.842 0 . 1 . . . . A 5 GLU HB2 . 30901 1
16 . 1 . 1 5 5 GLU HB3 H 1 1.842 0 . 1 . . . . A 5 GLU HB3 . 30901 1
17 . 1 . 1 5 5 GLU C C 13 174.831 0.082 . 1 . . . . A 5 GLU C . 30901 1
18 . 1 . 1 5 5 GLU CA C 13 55.602 0 . 1 . . . . A 5 GLU CA . 30901 1
19 . 1 . 1 5 5 GLU CB C 13 31.65 0 . 1 . . . . A 5 GLU CB . 30901 1
20 . 1 . 1 5 5 GLU CG C 13 37.673 0 . 1 . . . . A 5 GLU CG . 30901 1
21 . 1 . 1 5 5 GLU N N 15 121.801 0.059 . 1 . . . . A 5 GLU N . 30901 1
22 . 1 . 1 6 6 VAL H H 1 9.469 0.017 . 1 . . . . A 6 VAL H . 30901 1
23 . 1 . 1 6 6 VAL HA H 1 4.623 0.055 . 1 . . . . A 6 VAL HA . 30901 1
24 . 1 . 1 6 6 VAL HB H 1 1.979 0 . 1 . . . . A 6 VAL HB . 30901 1
25 . 1 . 1 6 6 VAL HG11 H 1 0.692 0 . 1 . . . . A 6 VAL HG11 . 30901 1
26 . 1 . 1 6 6 VAL HG12 H 1 0.692 0 . 1 . . . . A 6 VAL HG12 . 30901 1
27 . 1 . 1 6 6 VAL HG13 H 1 0.692 0 . 1 . . . . A 6 VAL HG13 . 30901 1
28 . 1 . 1 6 6 VAL C C 13 173.767 0 . 1 . . . . A 6 VAL C . 30901 1
29 . 1 . 1 6 6 VAL CA C 13 61.488 0.022 . 1 . . . . A 6 VAL CA . 30901 1
30 . 1 . 1 6 6 VAL CB C 13 33.435 0.047 . 1 . . . . A 6 VAL CB . 30901 1
31 . 1 . 1 6 6 VAL CG1 C 13 21.675 0 . 1 . . . . A 6 VAL CG1 . 30901 1
32 . 1 . 1 6 6 VAL N N 15 125.615 0.019 . 1 . . . . A 6 VAL N . 30901 1
33 . 1 . 1 7 7 ASN H H 1 9.031 0.006 . 1 . . . . A 7 ASN H . 30901 1
34 . 1 . 1 7 7 ASN HA H 1 5.212 0.013 . 1 . . . . A 7 ASN HA . 30901 1
35 . 1 . 1 7 7 ASN HB2 H 1 2.856 0 . 2 . . . . A 7 ASN HB2 . 30901 1
36 . 1 . 1 7 7 ASN HB3 H 1 2.376 0 . 2 . . . . A 7 ASN HB3 . 30901 1
37 . 1 . 1 7 7 ASN C C 13 174.001 0 . 1 . . . . A 7 ASN C . 30901 1
38 . 1 . 1 7 7 ASN CA C 13 52.455 0.066 . 1 . . . . A 7 ASN CA . 30901 1
39 . 1 . 1 7 7 ASN CB C 13 40.636 0.089 . 1 . . . . A 7 ASN CB . 30901 1
40 . 1 . 1 7 7 ASN N N 15 125.843 0 . 1 . . . . A 7 ASN N . 30901 1
41 . 1 . 1 8 8 ILE H H 1 9.55 0.004 . 1 . . . . A 8 ILE H . 30901 1
42 . 1 . 1 8 8 ILE HA H 1 4.543 0.011 . 1 . . . . A 8 ILE HA . 30901 1
43 . 1 . 1 8 8 ILE HB H 1 2.061 0 . 1 . . . . A 8 ILE HB . 30901 1
44 . 1 . 1 8 8 ILE HG21 H 1 0.829 0 . 1 . . . . A 8 ILE HG21 . 30901 1
45 . 1 . 1 8 8 ILE HG22 H 1 0.829 0 . 1 . . . . A 8 ILE HG22 . 30901 1
46 . 1 . 1 8 8 ILE HG23 H 1 0.829 0 . 1 . . . . A 8 ILE HG23 . 30901 1
47 . 1 . 1 8 8 ILE C C 13 173.603 0 . 1 . . . . A 8 ILE C . 30901 1
48 . 1 . 1 8 8 ILE CA C 13 61.019 0.155 . 1 . . . . A 8 ILE CA . 30901 1
49 . 1 . 1 8 8 ILE CB C 13 40.433 0.281 . 1 . . . . A 8 ILE CB . 30901 1
50 . 1 . 1 8 8 ILE CG1 C 13 28.085 0 . 1 . . . . A 8 ILE CG1 . 30901 1
51 . 1 . 1 8 8 ILE CG2 C 13 18.935 0 . 1 . . . . A 8 ILE CG2 . 30901 1
52 . 1 . 1 8 8 ILE CD1 C 13 15.155 0 . 1 . . . . A 8 ILE CD1 . 30901 1
53 . 1 . 1 8 8 ILE N N 15 125.466 0.007 . 1 . . . . A 8 ILE N . 30901 1
54 . 1 . 1 9 9 VAL H H 1 8.869 0.01 . 1 . . . . A 9 VAL H . 30901 1
55 . 1 . 1 9 9 VAL HA H 1 4.658 0.02 . 1 . . . . A 9 VAL HA . 30901 1
56 . 1 . 1 9 9 VAL HB H 1 1.924 0 . 1 . . . . A 9 VAL HB . 30901 1
57 . 1 . 1 9 9 VAL HG11 H 1 0.746 0 . 1 . . . . A 9 VAL HG11 . 30901 1
58 . 1 . 1 9 9 VAL HG12 H 1 0.746 0 . 1 . . . . A 9 VAL HG12 . 30901 1
59 . 1 . 1 9 9 VAL HG13 H 1 0.746 0 . 1 . . . . A 9 VAL HG13 . 30901 1
60 . 1 . 1 9 9 VAL C C 13 176.292 0 . 1 . . . . A 9 VAL C . 30901 1
61 . 1 . 1 9 9 VAL CA C 13 61.074 0.118 . 1 . . . . A 9 VAL CA . 30901 1
62 . 1 . 1 9 9 VAL CB C 13 32.355 0.047 . 1 . . . . A 9 VAL CB . 30901 1
63 . 1 . 1 9 9 VAL CG1 C 13 21.346 0 . 1 . . . . A 9 VAL CG1 . 30901 1
64 . 1 . 1 9 9 VAL CG2 C 13 21.346 0 . 1 . . . . A 9 VAL CG2 . 30901 1
65 . 1 . 1 9 9 VAL N N 15 127.015 0 . 1 . . . . A 9 VAL N . 30901 1
66 . 1 . 1 10 10 LEU H H 1 9.316 0.017 . 1 . . . . A 10 LEU H . 30901 1
67 . 1 . 1 10 10 LEU HA H 1 5.014 0 . 1 . . . . A 10 LEU HA . 30901 1
68 . 1 . 1 10 10 LEU HB2 H 1 1.431 0 . 1 . . . . A 10 LEU HB2 . 30901 1
69 . 1 . 1 10 10 LEU HB3 H 1 1.431 0 . 1 . . . . A 10 LEU HB3 . 30901 1
70 . 1 . 1 10 10 LEU C C 13 176.245 0 . 1 . . . . A 10 LEU C . 30901 1
71 . 1 . 1 10 10 LEU CA C 13 53.536 0 . 1 . . . . A 10 LEU CA . 30901 1
72 . 1 . 1 10 10 LEU CB C 13 43.532 0 . 1 . . . . A 10 LEU CB . 30901 1
73 . 1 . 1 10 10 LEU N N 15 127.823 0.04 . 1 . . . . A 10 LEU N . 30901 1
74 . 1 . 1 11 11 ASN H H 1 8.304 0.004 . 1 . . . . A 11 ASN H . 30901 1
75 . 1 . 1 11 11 ASN CA C 13 53.629 0 . 1 . . . . A 11 ASN CA . 30901 1
76 . 1 . 1 11 11 ASN CB C 13 38.179 0 . 1 . . . . A 11 ASN CB . 30901 1
77 . 1 . 1 11 11 ASN N N 15 118.499 0 . 1 . . . . A 11 ASN N . 30901 1
78 . 1 . 1 12 12 PRO HA H 1 4.458 0 . 1 . . . . A 12 PRO HA . 30901 1
79 . 1 . 1 12 12 PRO HB2 H 1 1.993 0 . 1 . . . . A 12 PRO HB2 . 30901 1
80 . 1 . 1 12 12 PRO HB3 H 1 1.993 0 . 1 . . . . A 12 PRO HB3 . 30901 1
81 . 1 . 1 12 12 PRO C C 13 178.022 0 . 1 . . . . A 12 PRO C . 30901 1
82 . 1 . 1 12 12 PRO CA C 13 63.915 0 . 1 . . . . A 12 PRO CA . 30901 1
83 . 1 . 1 12 12 PRO CB C 13 32.871 0 . 1 . . . . A 12 PRO CB . 30901 1
84 . 1 . 1 12 12 PRO CG C 13 24.359 0 . 1 . . . . A 12 PRO CG . 30901 1
85 . 1 . 1 13 13 ASN H H 1 8.378 0.007 . 1 . . . . A 13 ASN H . 30901 1
86 . 1 . 1 13 13 ASN HA H 1 4.499 0.014 . 1 . . . . A 13 ASN HA . 30901 1
87 . 1 . 1 13 13 ASN HB2 H 1 2.774 0 . 1 . . . . A 13 ASN HB2 . 30901 1
88 . 1 . 1 13 13 ASN HB3 H 1 2.774 0 . 1 . . . . A 13 ASN HB3 . 30901 1
89 . 1 . 1 13 13 ASN C C 13 174.772 0 . 1 . . . . A 13 ASN C . 30901 1
90 . 1 . 1 13 13 ASN CA C 13 53.582 0.047 . 1 . . . . A 13 ASN CA . 30901 1
91 . 1 . 1 13 13 ASN CB C 13 37.74 0.11 . 1 . . . . A 13 ASN CB . 30901 1
92 . 1 . 1 13 13 ASN N N 15 115.694 0 . 1 . . . . A 13 ASN N . 30901 1
93 . 1 . 1 14 14 LEU H H 1 7.103 0.004 . 1 . . . . A 14 LEU H . 30901 1
94 . 1 . 1 14 14 LEU HA H 1 4.335 0 . 1 . . . . A 14 LEU HA . 30901 1
95 . 1 . 1 14 14 LEU HB2 H 1 1.678 0 . 1 . . . . A 14 LEU HB2 . 30901 1
96 . 1 . 1 14 14 LEU HB3 H 1 1.678 0 . 1 . . . . A 14 LEU HB3 . 30901 1
97 . 1 . 1 14 14 LEU HG H 1 1.377 0 . 1 . . . . A 14 LEU HG . 30901 1
98 . 1 . 1 14 14 LEU C C 13 176.83 0 . 1 . . . . A 14 LEU C . 30901 1
99 . 1 . 1 14 14 LEU CA C 13 54.781 0.07 . 1 . . . . A 14 LEU CA . 30901 1
100 . 1 . 1 14 14 LEU CB C 13 42.577 0.022 . 1 . . . . A 14 LEU CB . 30901 1
101 . 1 . 1 14 14 LEU CG C 13 27.263 0 . 1 . . . . A 14 LEU CG . 30901 1
102 . 1 . 1 14 14 LEU N N 15 119.322 0 . 1 . . . . A 14 LEU N . 30901 1
103 . 1 . 1 15 15 ASP H H 1 8.545 0.017 . 1 . . . . A 15 ASP H . 30901 1
104 . 1 . 1 15 15 ASP HA H 1 4.657 0.007 . 1 . . . . A 15 ASP HA . 30901 1
105 . 1 . 1 15 15 ASP HB2 H 1 3.185 0 . 2 . . . . A 15 ASP HB2 . 30901 1
106 . 1 . 1 15 15 ASP HB3 H 1 2.691 0 . 2 . . . . A 15 ASP HB3 . 30901 1
107 . 1 . 1 15 15 ASP C C 13 176.081 0 . 1 . . . . A 15 ASP C . 30901 1
108 . 1 . 1 15 15 ASP CA C 13 52.549 0.066 . 1 . . . . A 15 ASP CA . 30901 1
109 . 1 . 1 15 15 ASP CB C 13 40.949 0.133 . 1 . . . . A 15 ASP CB . 30901 1
110 . 1 . 1 15 15 ASP N N 15 121.93 0 . 1 . . . . A 15 ASP N . 30901 1
111 . 1 . 1 16 16 GLN H H 1 8.44 0.008 . 1 . . . . A 16 GLN H . 30901 1
112 . 1 . 1 16 16 GLN HA H 1 3.938 0 . 1 . . . . A 16 GLN HA . 30901 1
113 . 1 . 1 16 16 GLN HB2 H 1 2.089 0 . 1 . . . . A 16 GLN HB2 . 30901 1
114 . 1 . 1 16 16 GLN HB3 H 1 2.089 0 . 1 . . . . A 16 GLN HB3 . 30901 1
115 . 1 . 1 16 16 GLN C C 13 179.144 0 . 1 . . . . A 16 GLN C . 30901 1
116 . 1 . 1 16 16 GLN CA C 13 59.97 0.066 . 1 . . . . A 16 GLN CA . 30901 1
117 . 1 . 1 16 16 GLN CB C 13 28.363 0.199 . 1 . . . . A 16 GLN CB . 30901 1
118 . 1 . 1 16 16 GLN CG C 13 34.167 0 . 1 . . . . A 16 GLN CG . 30901 1
119 . 1 . 1 16 16 GLN N N 15 116.143 0 . 1 . . . . A 16 GLN N . 30901 1
120 . 1 . 1 17 17 LYS H H 1 8.151 0.007 . 1 . . . . A 17 LYS H . 30901 1
121 . 1 . 1 17 17 LYS HA H 1 4.12 0.01 . 1 . . . . A 17 LYS HA . 30901 1
122 . 1 . 1 17 17 LYS HB2 H 1 1.924 0 . 1 . . . . A 17 LYS HB2 . 30901 1
123 . 1 . 1 17 17 LYS HB3 H 1 1.924 0 . 1 . . . . A 17 LYS HB3 . 30901 1
124 . 1 . 1 17 17 LYS HG2 H 1 1.39 0 . 1 . . . . A 17 LYS HG2 . 30901 1
125 . 1 . 1 17 17 LYS HG3 H 1 1.39 0 . 1 . . . . A 17 LYS HG3 . 30901 1
126 . 1 . 1 17 17 LYS C C 13 179.682 0 . 1 . . . . A 17 LYS C . 30901 1
127 . 1 . 1 17 17 LYS CA C 13 59.523 0.071 . 1 . . . . A 17 LYS CA . 30901 1
128 . 1 . 1 17 17 LYS CB C 13 31.838 0 . 1 . . . . A 17 LYS CB . 30901 1
129 . 1 . 1 17 17 LYS CG C 13 25.181 0 . 1 . . . . A 17 LYS CG . 30901 1
130 . 1 . 1 17 17 LYS CD C 13 29.455 0 . 1 . . . . A 17 LYS CD . 30901 1
131 . 1 . 1 17 17 LYS CE C 13 42.001 0 . 1 . . . . A 17 LYS CE . 30901 1
132 . 1 . 1 17 17 LYS N N 15 121.516 0 . 1 . . . . A 17 LYS N . 30901 1
133 . 1 . 1 18 18 GLN H H 1 8.827 0.003 . 1 . . . . A 18 GLN H . 30901 1
134 . 1 . 1 18 18 GLN C C 13 180.196 0 . 1 . . . . A 18 GLN C . 30901 1
135 . 1 . 1 18 18 GLN CA C 13 59.014 0.022 . 1 . . . . A 18 GLN CA . 30901 1
136 . 1 . 1 18 18 GLN CB C 13 29.85 0.022 . 1 . . . . A 18 GLN CB . 30901 1
137 . 1 . 1 18 18 GLN N N 15 120.874 0.032 . 1 . . . . A 18 GLN N . 30901 1
138 . 1 . 1 19 19 LEU H H 1 8.829 0.001 . 1 . . . . A 19 LEU H . 30901 1
139 . 1 . 1 19 19 LEU HA H 1 3.952 0 . 1 . . . . A 19 LEU HA . 30901 1
140 . 1 . 1 19 19 LEU HB2 H 1 1.815 0 . 1 . . . . A 19 LEU HB2 . 30901 1
141 . 1 . 1 19 19 LEU HB3 H 1 1.815 0 . 1 . . . . A 19 LEU HB3 . 30901 1
142 . 1 . 1 19 19 LEU HG H 1 1.568 0 . 1 . . . . A 19 LEU HG . 30901 1
143 . 1 . 1 19 19 LEU C C 13 178.162 0 . 1 . . . . A 19 LEU C . 30901 1
144 . 1 . 1 19 19 LEU CA C 13 58.342 0.155 . 1 . . . . A 19 LEU CA . 30901 1
145 . 1 . 1 19 19 LEU CB C 13 41.854 0.143 . 1 . . . . A 19 LEU CB . 30901 1
146 . 1 . 1 19 19 LEU CG C 13 25.072 0 . 1 . . . . A 19 LEU CG . 30901 1
147 . 1 . 1 19 19 LEU N N 15 122.592 0.021 . 1 . . . . A 19 LEU N . 30901 1
148 . 1 . 1 20 20 ALA H H 1 7.796 0.006 . 1 . . . . A 20 ALA H . 30901 1
149 . 1 . 1 20 20 ALA HA H 1 4.156 0.013 . 1 . . . . A 20 ALA HA . 30901 1
150 . 1 . 1 20 20 ALA HB1 H 1 1.541 0 . 1 . . . . A 20 ALA HB1 . 30901 1
151 . 1 . 1 20 20 ALA HB2 H 1 1.541 0 . 1 . . . . A 20 ALA HB2 . 30901 1
152 . 1 . 1 20 20 ALA HB3 H 1 1.541 0 . 1 . . . . A 20 ALA HB3 . 30901 1
153 . 1 . 1 20 20 ALA C C 13 181.108 0 . 1 . . . . A 20 ALA C . 30901 1
154 . 1 . 1 20 20 ALA CA C 13 55.579 0.07 . 1 . . . . A 20 ALA CA . 30901 1
155 . 1 . 1 20 20 ALA CB C 13 17.662 0.077 . 1 . . . . A 20 ALA CB . 30901 1
156 . 1 . 1 20 20 ALA N N 15 121.519 0.005 . 1 . . . . A 20 ALA N . 30901 1
157 . 1 . 1 21 21 GLN H H 1 8.008 0.008 . 1 . . . . A 21 GLN H . 30901 1
158 . 1 . 1 21 21 GLN HA H 1 4.141 0.043 . 1 . . . . A 21 GLN HA . 30901 1
159 . 1 . 1 21 21 GLN HB2 H 1 2.116 0 . 1 . . . . A 21 GLN HB2 . 30901 1
160 . 1 . 1 21 21 GLN HB3 H 1 2.116 0 . 1 . . . . A 21 GLN HB3 . 30901 1
161 . 1 . 1 21 21 GLN C C 13 179.074 0 . 1 . . . . A 21 GLN C . 30901 1
162 . 1 . 1 21 21 GLN CA C 13 58.678 0.071 . 1 . . . . A 21 GLN CA . 30901 1
163 . 1 . 1 21 21 GLN CB C 13 28.597 0.047 . 1 . . . . A 21 GLN CB . 30901 1
164 . 1 . 1 21 21 GLN N N 15 118.067 0 . 1 . . . . A 21 GLN N . 30901 1
165 . 1 . 1 22 22 ALA H H 1 8.129 0.009 . 1 . . . . A 22 ALA H . 30901 1
166 . 1 . 1 22 22 ALA HA H 1 4.298 0 . 1 . . . . A 22 ALA HA . 30901 1
167 . 1 . 1 22 22 ALA C C 13 181.038 0 . 1 . . . . A 22 ALA C . 30901 1
168 . 1 . 1 22 22 ALA CA C 13 55.766 0.165 . 1 . . . . A 22 ALA CA . 30901 1
169 . 1 . 1 22 22 ALA CB C 13 17.842 0 . 1 . . . . A 22 ALA CB . 30901 1
170 . 1 . 1 22 22 ALA N N 15 122.711 0 . 1 . . . . A 22 ALA N . 30901 1
171 . 1 . 1 23 23 LYS H H 1 7.974 0.007 . 1 . . . . A 23 LYS H . 30901 1
172 . 1 . 1 23 23 LYS HA H 1 4.015 0.173 . 1 . . . . A 23 LYS HA . 30901 1
173 . 1 . 1 23 23 LYS HB2 H 1 1.897 0 . 1 . . . . A 23 LYS HB2 . 30901 1
174 . 1 . 1 23 23 LYS HB3 H 1 1.897 0 . 1 . . . . A 23 LYS HB3 . 30901 1
175 . 1 . 1 23 23 LYS C C 13 178.173 0.059 . 1 . . . . A 23 LYS C . 30901 1
176 . 1 . 1 23 23 LYS CA C 13 60.415 0.071 . 1 . . . . A 23 LYS CA . 30901 1
177 . 1 . 1 23 23 LYS CB C 13 32.355 0 . 1 . . . . A 23 LYS CB . 30901 1
178 . 1 . 1 23 23 LYS N N 15 116.596 0 . 1 . . . . A 23 LYS N . 30901 1
179 . 1 . 1 24 24 GLU H H 1 7.686 0.009 . 1 . . . . A 24 GLU H . 30901 1
180 . 1 . 1 24 24 GLU HA H 1 4.02 0 . 1 . . . . A 24 GLU HA . 30901 1
181 . 1 . 1 24 24 GLU HB2 H 1 2.144 0 . 1 . . . . A 24 GLU HB2 . 30901 1
182 . 1 . 1 24 24 GLU HB3 H 1 2.144 0 . 1 . . . . A 24 GLU HB3 . 30901 1
183 . 1 . 1 24 24 GLU C C 13 179.799 0 . 1 . . . . A 24 GLU C . 30901 1
184 . 1 . 1 24 24 GLU CA C 13 59.531 0.022 . 1 . . . . A 24 GLU CA . 30901 1
185 . 1 . 1 24 24 GLU CB C 13 29.067 0.047 . 1 . . . . A 24 GLU CB . 30901 1
186 . 1 . 1 24 24 GLU CG C 13 36.413 0 . 1 . . . . A 24 GLU CG . 30901 1
187 . 1 . 1 24 24 GLU N N 15 117.797 0 . 1 . . . . A 24 GLU N . 30901 1
188 . 1 . 1 25 25 LEU H H 1 8.223 0.012 . 1 . . . . A 25 LEU H . 30901 1
189 . 1 . 1 25 25 LEU HA H 1 4.075 0 . 1 . . . . A 25 LEU HA . 30901 1
190 . 1 . 1 25 25 LEU C C 13 179.799 0 . 1 . . . . A 25 LEU C . 30901 1
191 . 1 . 1 25 25 LEU CA C 13 58.161 0.07 . 1 . . . . A 25 LEU CA . 30901 1
192 . 1 . 1 25 25 LEU CB C 13 41.654 0 . 1 . . . . A 25 LEU CB . 30901 1
193 . 1 . 1 25 25 LEU N N 15 120.035 0 . 1 . . . . A 25 LEU N . 30901 1
194 . 1 . 1 26 26 ALA H H 1 8.306 0.02 . 1 . . . . A 26 ALA H . 30901 1
195 . 1 . 1 26 26 ALA HA H 1 4.274 0 . 1 . . . . A 26 ALA HA . 30901 1
196 . 1 . 1 26 26 ALA CA C 13 55.539 0.044 . 1 . . . . A 26 ALA CA . 30901 1
197 . 1 . 1 26 26 ALA CB C 13 17.092 0.067 . 1 . . . . A 26 ALA CB . 30901 1
198 . 1 . 1 26 26 ALA N N 15 123.388 0 . 1 . . . . A 26 ALA N . 30901 1
199 . 1 . 1 27 27 ILE H H 1 7.913 0.006 . 1 . . . . A 27 ILE H . 30901 1
200 . 1 . 1 27 27 ILE HA H 1 4.13 0 . 1 . . . . A 27 ILE HA . 30901 1
201 . 1 . 1 27 27 ILE CA C 13 56.353 0 . 1 . . . . A 27 ILE CA . 30901 1
202 . 1 . 1 27 27 ILE CB C 13 34.045 0 . 1 . . . . A 27 ILE CB . 30901 1
203 . 1 . 1 27 27 ILE N N 15 117.178 0.002 . 1 . . . . A 27 ILE N . 30901 1
204 . 1 . 1 28 28 LYS H H 1 7.979 0.016 . 1 . . . . A 28 LYS H . 30901 1
205 . 1 . 1 28 28 LYS HA H 1 3.924 0 . 1 . . . . A 28 LYS HA . 30901 1
206 . 1 . 1 28 28 LYS HB2 H 1 1.856 0 . 1 . . . . A 28 LYS HB2 . 30901 1
207 . 1 . 1 28 28 LYS HB3 H 1 1.856 0 . 1 . . . . A 28 LYS HB3 . 30901 1
208 . 1 . 1 28 28 LYS C C 13 176.829 0 . 1 . . . . A 28 LYS C . 30901 1
209 . 1 . 1 28 28 LYS CA C 13 60.048 0.132 . 1 . . . . A 28 LYS CA . 30901 1
210 . 1 . 1 28 28 LYS CB C 13 32.466 0.161 . 1 . . . . A 28 LYS CB . 30901 1
211 . 1 . 1 28 28 LYS CD C 13 34.44 0 . 1 . . . . A 28 LYS CD . 30901 1
212 . 1 . 1 28 28 LYS N N 15 120.512 0.006 . 1 . . . . A 28 LYS N . 30901 1
213 . 1 . 1 29 29 ALA H H 1 7.799 0.009 . 1 . . . . A 29 ALA H . 30901 1
214 . 1 . 1 29 29 ALA HA H 1 4.146 0 . 1 . . . . A 29 ALA HA . 30901 1
215 . 1 . 1 29 29 ALA CA C 13 55.414 0 . 1 . . . . A 29 ALA CA . 30901 1
216 . 1 . 1 29 29 ALA CB C 13 17.514 0 . 1 . . . . A 29 ALA CB . 30901 1
217 . 1 . 1 29 29 ALA N N 15 122.017 0 . 1 . . . . A 29 ALA N . 30901 1
218 . 1 . 1 31 31 LYS H H 1 8.089 0 . 1 . . . . A 31 LYS H . 30901 1
219 . 1 . 1 31 31 LYS HA H 1 4.098 0 . 1 . . . . A 31 LYS HA . 30901 1
220 . 1 . 1 31 31 LYS CA C 13 59.43 0 . 1 . . . . A 31 LYS CA . 30901 1
221 . 1 . 1 31 31 LYS CB C 13 32.425 0 . 1 . . . . A 31 LYS CB . 30901 1
222 . 1 . 1 31 31 LYS N N 15 117.893 0 . 1 . . . . A 31 LYS N . 30901 1
223 . 1 . 1 32 32 GLN H H 1 7.904 0 . 1 . . . . A 32 GLN H . 30901 1
224 . 1 . 1 32 32 GLN HA H 1 4.169 0 . 1 . . . . A 32 GLN HA . 30901 1
225 . 1 . 1 32 32 GLN CA C 13 58.106 0 . 1 . . . . A 32 GLN CA . 30901 1
226 . 1 . 1 32 32 GLN CB C 13 28.487 0 . 1 . . . . A 32 GLN CB . 30901 1
227 . 1 . 1 32 32 GLN N N 15 119.287 0 . 1 . . . . A 32 GLN N . 30901 1
228 . 1 . 1 33 33 TYR H H 1 7.668 0 . 1 . . . . A 33 TYR H . 30901 1
229 . 1 . 1 33 33 TYR C C 13 175.544 0 . 1 . . . . A 33 TYR C . 30901 1
230 . 1 . 1 33 33 TYR CA C 13 59.198 0.169 . 1 . . . . A 33 TYR CA . 30901 1
231 . 1 . 1 33 33 TYR CB C 13 38.799 0.118 . 1 . . . . A 33 TYR CB . 30901 1
232 . 1 . 1 33 33 TYR N N 15 117.089 0 . 1 . . . . A 33 TYR N . 30901 1
233 . 1 . 1 34 34 GLY H H 1 7.845 0.007 . 1 . . . . A 34 GLY H . 30901 1
234 . 1 . 1 34 34 GLY HA2 H 1 3.946 0 . 1 . . . . A 34 GLY HA2 . 30901 1
235 . 1 . 1 34 34 GLY HA3 H 1 3.946 0 . 1 . . . . A 34 GLY HA3 . 30901 1
236 . 1 . 1 34 34 GLY CA C 13 42.274 0.128 . 1 . . . . A 34 GLY CA . 30901 1
237 . 1 . 1 34 34 GLY N N 15 106.607 0 . 1 . . . . A 34 GLY N . 30901 1
238 . 1 . 1 36 36 GLY H H 1 8.372 0.004 . 1 . . . . A 36 GLY H . 30901 1
239 . 1 . 1 36 36 GLY HA3 H 1 3.993 0 . 1 . . . . A 36 GLY HA3 . 30901 1
240 . 1 . 1 36 36 GLY N N 15 112.94 0.025 . 1 . . . . A 36 GLY N . 30901 1
241 . 1 . 1 39 39 LYS H H 1 8.046 0 . 1 . . . . A 39 LYS H . 30901 1
242 . 1 . 1 39 39 LYS C C 13 177.508 0 . 1 . . . . A 39 LYS C . 30901 1
243 . 1 . 1 39 39 LYS CB C 13 33.012 0 . 1 . . . . A 39 LYS CB . 30901 1
244 . 1 . 1 39 39 LYS N N 15 120.567 0 . 1 . . . . A 39 LYS N . 30901 1
245 . 1 . 1 40 40 ILE H H 1 7.531 0.008 . 1 . . . . A 40 ILE H . 30901 1
246 . 1 . 1 40 40 ILE C C 13 175.123 0 . 1 . . . . A 40 ILE C . 30901 1
247 . 1 . 1 40 40 ILE CA C 13 61.16 0.089 . 1 . . . . A 40 ILE CA . 30901 1
248 . 1 . 1 40 40 ILE CB C 13 40.62 0.132 . 1 . . . . A 40 ILE CB . 30901 1
249 . 1 . 1 40 40 ILE N N 15 119.861 0 . 1 . . . . A 40 ILE N . 30901 1
250 . 1 . 1 41 41 LYS H H 1 8.708 0.002 . 1 . . . . A 41 LYS H . 30901 1
251 . 1 . 1 41 41 LYS CA C 13 55.086 0 . 1 . . . . A 41 LYS CA . 30901 1
252 . 1 . 1 41 41 LYS CB C 13 35.376 0.089 . 1 . . . . A 41 LYS CB . 30901 1
253 . 1 . 1 41 41 LYS N N 15 126.115 0 . 1 . . . . A 41 LYS N . 30901 1
254 . 1 . 1 42 42 LEU H H 1 8.588 0.004 . 1 . . . . A 42 LEU H . 30901 1
255 . 1 . 1 42 42 LEU HA H 1 4.089 0 . 1 . . . . A 42 LEU HA . 30901 1
256 . 1 . 1 42 42 LEU HB2 H 1 1.472 0 . 1 . . . . A 42 LEU HB2 . 30901 1
257 . 1 . 1 42 42 LEU HB3 H 1 1.472 0 . 1 . . . . A 42 LEU HB3 . 30901 1
258 . 1 . 1 42 42 LEU C C 13 175.964 0 . 1 . . . . A 42 LEU C . 30901 1
259 . 1 . 1 42 42 LEU CA C 13 55.344 0.07 . 1 . . . . A 42 LEU CA . 30901 1
260 . 1 . 1 42 42 LEU CB C 13 42.343 0.11 . 1 . . . . A 42 LEU CB . 30901 1
261 . 1 . 1 42 42 LEU N N 15 127.097 0 . 1 . . . . A 42 LEU N . 30901 1
262 . 1 . 1 43 43 ILE H H 1 8.49 0.005 . 1 . . . . A 43 ILE H . 30901 1
263 . 1 . 1 43 43 ILE CB C 13 45.291 0 . 1 . . . . A 43 ILE CB . 30901 1
264 . 1 . 1 43 43 ILE N N 15 126.138 0 . 1 . . . . A 43 ILE N . 30901 1
265 . 1 . 1 44 44 GLY H H 1 8.372 0.008 . 1 . . . . A 44 GLY H . 30901 1
266 . 1 . 1 44 44 GLY N N 15 112.94 0.044 . 1 . . . . A 44 GLY N . 30901 1
267 . 1 . 1 45 45 ASN H H 1 8.39 0 . 1 . . . . A 45 ASN H . 30901 1
268 . 1 . 1 45 45 ASN CA C 13 53.13 0 . 1 . . . . A 45 ASN CA . 30901 1
269 . 1 . 1 45 45 ASN CB C 13 39.377 0 . 1 . . . . A 45 ASN CB . 30901 1
270 . 1 . 1 45 45 ASN N N 15 115.665 0 . 1 . . . . A 45 ASN N . 30901 1
271 . 1 . 1 46 46 ALA H H 1 8.272 0 . 1 . . . . A 46 ALA H . 30901 1
272 . 1 . 1 46 46 ALA HA H 1 4.321 0 . 1 . . . . A 46 ALA HA . 30901 1
273 . 1 . 1 46 46 ALA HB1 H 1 1.322 0 . 1 . . . . A 46 ALA HB1 . 30901 1
274 . 1 . 1 46 46 ALA HB2 H 1 1.322 0 . 1 . . . . A 46 ALA HB2 . 30901 1
275 . 1 . 1 46 46 ALA HB3 H 1 1.322 0 . 1 . . . . A 46 ALA HB3 . 30901 1
276 . 1 . 1 46 46 ALA C C 13 177.648 0 . 1 . . . . A 46 ALA C . 30901 1
277 . 1 . 1 46 46 ALA CA C 13 52.878 0 . 1 . . . . A 46 ALA CA . 30901 1
278 . 1 . 1 46 46 ALA CB C 13 19.439 0 . 1 . . . . A 46 ALA CB . 30901 1
279 . 1 . 1 46 46 ALA N N 15 123.904 0 . 1 . . . . A 46 ALA N . 30901 1
280 . 1 . 1 47 47 LYS H H 1 8.334 0.005 . 1 . . . . A 47 LYS H . 30901 1
281 . 1 . 1 47 47 LYS HA H 1 4.356 0 . 1 . . . . A 47 LYS HA . 30901 1
282 . 1 . 1 47 47 LYS CA C 13 56.494 0 . 1 . . . . A 47 LYS CA . 30901 1
283 . 1 . 1 47 47 LYS CB C 13 33.2 0 . 1 . . . . A 47 LYS CB . 30901 1
284 . 1 . 1 47 47 LYS N N 15 119.702 0 . 1 . . . . A 47 LYS N . 30901 1
285 . 1 . 1 48 48 THR HA H 1 4.335 0 . 1 . . . . A 48 THR HA . 30901 1
286 . 1 . 1 48 48 THR C C 13 174.772 0 . 1 . . . . A 48 THR C . 30901 1
287 . 1 . 1 48 48 THR CA C 13 62.002 0 . 1 . . . . A 48 THR CA . 30901 1
288 . 1 . 1 48 48 THR CB C 13 70.122 0 . 1 . . . . A 48 THR CB . 30901 1
289 . 1 . 1 48 48 THR CG2 C 13 24.825 0 . 1 . . . . A 48 THR CG2 . 30901 1
290 . 1 . 1 49 49 VAL H H 1 8.323 0.018 . 1 . . . . A 49 VAL H . 30901 1
291 . 1 . 1 49 49 VAL HA H 1 4.174 0 . 1 . . . . A 49 VAL HA . 30901 1
292 . 1 . 1 49 49 VAL CA C 13 56.729 0 . 1 . . . . A 49 VAL CA . 30901 1
293 . 1 . 1 49 49 VAL CB C 13 29.819 0 . 1 . . . . A 49 VAL CB . 30901 1
294 . 1 . 1 49 49 VAL N N 15 122.15 0.025 . 1 . . . . A 49 VAL N . 30901 1
295 . 1 . 1 50 50 GLU H H 1 8.343 0 . 1 . . . . A 50 GLU H . 30901 1
296 . 1 . 1 50 50 GLU HA H 1 4.226 0 . 1 . . . . A 50 GLU HA . 30901 1
297 . 1 . 1 50 50 GLU HB2 H 1 1.979 0 . 1 . . . . A 50 GLU HB2 . 30901 1
298 . 1 . 1 50 50 GLU HB3 H 1 1.979 0 . 1 . . . . A 50 GLU HB3 . 30901 1
299 . 1 . 1 50 50 GLU C C 13 176.806 0 . 1 . . . . A 50 GLU C . 30901 1
300 . 1 . 1 50 50 GLU CA C 13 57.449 0 . 1 . . . . A 50 GLU CA . 30901 1
301 . 1 . 1 50 50 GLU CB C 13 29.848 0 . 1 . . . . A 50 GLU CB . 30901 1
302 . 1 . 1 50 50 GLU CG C 13 36.632 0 . 1 . . . . A 50 GLU CG . 30901 1
303 . 1 . 1 51 51 ALA H H 1 8.015 0.008 . 1 . . . . A 51 ALA H . 30901 1
304 . 1 . 1 51 51 ALA HA H 1 4.252 0.001 . 1 . . . . A 51 ALA HA . 30901 1
305 . 1 . 1 51 51 ALA HB1 H 1 1.445 0 . 1 . . . . A 51 ALA HB1 . 30901 1
306 . 1 . 1 51 51 ALA HB2 H 1 1.445 0 . 1 . . . . A 51 ALA HB2 . 30901 1
307 . 1 . 1 51 51 ALA HB3 H 1 1.445 0 . 1 . . . . A 51 ALA HB3 . 30901 1
308 . 1 . 1 51 51 ALA C C 13 178.279 0 . 1 . . . . A 51 ALA C . 30901 1
309 . 1 . 1 51 51 ALA CA C 13 53.223 0.022 . 1 . . . . A 51 ALA CA . 30901 1
310 . 1 . 1 51 51 ALA CB C 13 19.111 0 . 1 . . . . A 51 ALA CB . 30901 1
311 . 1 . 1 51 51 ALA N N 15 123.434 0 . 1 . . . . A 51 ALA N . 30901 1
312 . 1 . 1 52 52 VAL H H 1 8.028 0.009 . 1 . . . . A 52 VAL H . 30901 1
313 . 1 . 1 52 52 VAL HA H 1 3.817 0 . 1 . . . . A 52 VAL HA . 30901 1
314 . 1 . 1 52 52 VAL CA C 13 64.243 0 . 1 . . . . A 52 VAL CA . 30901 1
315 . 1 . 1 52 52 VAL CB C 13 31.979 0 . 1 . . . . A 52 VAL CB . 30901 1
316 . 1 . 1 52 52 VAL N N 15 118.485 0 . 1 . . . . A 52 VAL N . 30901 1
317 . 1 . 1 53 53 GLU H H 1 8.132 0 . 1 . . . . A 53 GLU H . 30901 1
318 . 1 . 1 53 53 GLU C C 13 178.373 0 . 1 . . . . A 53 GLU C . 30901 1
319 . 1 . 1 54 54 LYS H H 1 7.74 0.006 . 1 . . . . A 54 LYS H . 30901 1
320 . 1 . 1 54 54 LYS CA C 13 60.533 0 . 1 . . . . A 54 LYS CA . 30901 1
321 . 1 . 1 54 54 LYS CB C 13 32.402 0 . 1 . . . . A 54 LYS CB . 30901 1
322 . 1 . 1 54 54 LYS N N 15 120.548 0.055 . 1 . . . . A 54 LYS N . 30901 1
323 . 1 . 1 55 55 LEU H H 1 8.209 0 . 1 . . . . A 55 LEU H . 30901 1
324 . 1 . 1 55 55 LEU C C 13 177.344 0 . 1 . . . . A 55 LEU C . 30901 1
325 . 1 . 1 55 55 LEU CA C 13 55.853 0 . 1 . . . . A 55 LEU CA . 30901 1
326 . 1 . 1 55 55 LEU CB C 13 45.311 0.027 . 1 . . . . A 55 LEU CB . 30901 1
327 . 1 . 1 56 56 LYS H H 1 8.245 0.003 . 1 . . . . A 56 LYS H . 30901 1
328 . 1 . 1 56 56 LYS HA H 1 4.114 0.016 . 1 . . . . A 56 LYS HA . 30901 1
329 . 1 . 1 56 56 LYS HB2 H 1 1.568 0 . 1 . . . . A 56 LYS HB2 . 30901 1
330 . 1 . 1 56 56 LYS HB3 H 1 1.568 0 . 1 . . . . A 56 LYS HB3 . 30901 1
331 . 1 . 1 56 56 LYS C C 13 179.425 0 . 1 . . . . A 56 LYS C . 30901 1
332 . 1 . 1 56 56 LYS CA C 13 54.944 0.188 . 1 . . . . A 56 LYS CA . 30901 1
333 . 1 . 1 56 56 LYS CB C 13 29.748 0.071 . 1 . . . . A 56 LYS CB . 30901 1
334 . 1 . 1 56 56 LYS N N 15 121.049 0 . 1 . . . . A 56 LYS N . 30901 1
335 . 1 . 1 57 57 GLN H H 1 7.896 0.007 . 1 . . . . A 57 GLN H . 30901 1
336 . 1 . 1 57 57 GLN HA H 1 4.283 0.003 . 1 . . . . A 57 GLN HA . 30901 1
337 . 1 . 1 57 57 GLN HB2 H 1 2.089 0 . 1 . . . . A 57 GLN HB2 . 30901 1
338 . 1 . 1 57 57 GLN HB3 H 1 2.089 0 . 1 . . . . A 57 GLN HB3 . 30901 1
339 . 1 . 1 57 57 GLN C C 13 175.964 0 . 1 . . . . A 57 GLN C . 30901 1
340 . 1 . 1 57 57 GLN CA C 13 56.041 0.044 . 1 . . . . A 57 GLN CA . 30901 1
341 . 1 . 1 57 57 GLN CB C 13 29.654 0.024 . 1 . . . . A 57 GLN CB . 30901 1
342 . 1 . 1 57 57 GLN CG C 13 34.002 0 . 1 . . . . A 57 GLN CG . 30901 1
343 . 1 . 1 57 57 GLN N N 15 117.423 0 . 1 . . . . A 57 GLN N . 30901 1
344 . 1 . 1 58 58 GLY H H 1 7.914 0.002 . 1 . . . . A 58 GLY H . 30901 1
345 . 1 . 1 58 58 GLY CA C 13 45.176 0 . 1 . . . . A 58 GLY CA . 30901 1
346 . 1 . 1 58 58 GLY N N 15 107.069 0.009 . 1 . . . . A 58 GLY N . 30901 1
347 . 1 . 1 59 59 ILE H H 1 8.254 0 . 1 . . . . A 59 ILE H . 30901 1
348 . 1 . 1 59 59 ILE N N 15 118.869 0 . 1 . . . . A 59 ILE N . 30901 1
349 . 1 . 1 60 60 LEU H H 1 9.231 0 . 1 . . . . A 60 LEU H . 30901 1
350 . 1 . 1 60 60 LEU C C 13 175.357 0 . 1 . . . . A 60 LEU C . 30901 1
351 . 1 . 1 60 60 LEU CA C 13 54.287 0 . 1 . . . . A 60 LEU CA . 30901 1
352 . 1 . 1 60 60 LEU CB C 13 44.847 0 . 1 . . . . A 60 LEU CB . 30901 1
353 . 1 . 1 60 60 LEU N N 15 121.885 0 . 1 . . . . A 60 LEU N . 30901 1
354 . 1 . 1 61 61 LEU H H 1 9.24 0.002 . 1 . . . . A 61 LEU H . 30901 1
355 . 1 . 1 61 61 LEU HA H 1 4.157 0 . 1 . . . . A 61 LEU HA . 30901 1
356 . 1 . 1 61 61 LEU HB2 H 1 1.637 0 . 1 . . . . A 61 LEU HB2 . 30901 1
357 . 1 . 1 61 61 LEU HB3 H 1 1.637 0 . 1 . . . . A 61 LEU HB3 . 30901 1
358 . 1 . 1 61 61 LEU HG H 1 1.363 0 . 1 . . . . A 61 LEU HG . 30901 1
359 . 1 . 1 61 61 LEU C C 13 174.492 0 . 1 . . . . A 61 LEU C . 30901 1
360 . 1 . 1 61 61 LEU CA C 13 53.755 0.079 . 1 . . . . A 61 LEU CA . 30901 1
361 . 1 . 1 61 61 LEU CB C 13 44.771 0.037 . 1 . . . . A 61 LEU CB . 30901 1
362 . 1 . 1 61 61 LEU CG C 13 24.195 0 . 1 . . . . A 61 LEU CG . 30901 1
363 . 1 . 1 61 61 LEU N N 15 127.729 0 . 1 . . . . A 61 LEU N . 30901 1
364 . 1 . 1 62 62 VAL H H 1 8.207 0.013 . 1 . . . . A 62 VAL H . 30901 1
365 . 1 . 1 62 62 VAL HA H 1 4.96 0.007 . 1 . . . . A 62 VAL HA . 30901 1
366 . 1 . 1 62 62 VAL C C 13 174.632 0 . 1 . . . . A 62 VAL C . 30901 1
367 . 1 . 1 62 62 VAL CA C 13 61.18 0.082 . 1 . . . . A 62 VAL CA . 30901 1
368 . 1 . 1 62 62 VAL CB C 13 33.425 0.112 . 1 . . . . A 62 VAL CB . 30901 1
369 . 1 . 1 62 62 VAL CG1 C 13 21.181 0 . 1 . . . . A 62 VAL CG1 . 30901 1
370 . 1 . 1 62 62 VAL CG2 C 13 21.181 0 . 1 . . . . A 62 VAL CG2 . 30901 1
371 . 1 . 1 62 62 VAL N N 15 122.535 0.03 . 1 . . . . A 62 VAL N . 30901 1
372 . 1 . 1 63 63 TYR H H 1 8.749 0.008 . 1 . . . . A 63 TYR H . 30901 1
373 . 1 . 1 63 63 TYR HA H 1 5.258 0.022 . 1 . . . . A 63 TYR HA . 30901 1
374 . 1 . 1 63 63 TYR CA C 13 56.635 0.066 . 1 . . . . A 63 TYR CA . 30901 1
375 . 1 . 1 63 63 TYR CB C 13 42.906 0.022 . 1 . . . . A 63 TYR CB . 30901 1
376 . 1 . 1 63 63 TYR N N 15 123.812 0.038 . 1 . . . . A 63 TYR N . 30901 1
377 . 1 . 1 64 64 GLN H H 1 9.344 0.013 . 1 . . . . A 64 GLN H . 30901 1
378 . 1 . 1 64 64 GLN HA H 1 5.396 0.005 . 1 . . . . A 64 GLN HA . 30901 1
379 . 1 . 1 64 64 GLN HB2 H 1 2.746 0 . 1 . . . . A 64 GLN HB2 . 30901 1
380 . 1 . 1 64 64 GLN HB3 H 1 2.746 0 . 1 . . . . A 64 GLN HB3 . 30901 1
381 . 1 . 1 64 64 GLN C C 13 175.567 0 . 1 . . . . A 64 GLN C . 30901 1
382 . 1 . 1 64 64 GLN CA C 13 54.991 0 . 1 . . . . A 64 GLN CA . 30901 1
383 . 1 . 1 64 64 GLN CB C 13 31.321 0.066 . 1 . . . . A 64 GLN CB . 30901 1
384 . 1 . 1 64 64 GLN CG C 13 35.043 0 . 1 . . . . A 64 GLN CG . 30901 1
385 . 1 . 1 64 64 GLN N N 15 121.916 0.017 . 1 . . . . A 64 GLN N . 30901 1
386 . 1 . 1 65 65 ILE H H 1 9.149 0.004 . 1 . . . . A 65 ILE H . 30901 1
387 . 1 . 1 65 65 ILE HA H 1 5.108 0 . 1 . . . . A 65 ILE HA . 30901 1
388 . 1 . 1 65 65 ILE CA C 13 59.547 0 . 1 . . . . A 65 ILE CA . 30901 1
389 . 1 . 1 65 65 ILE CB C 13 42.076 0 . 1 . . . . A 65 ILE CB . 30901 1
390 . 1 . 1 65 65 ILE N N 15 121.887 0.008 . 1 . . . . A 65 ILE N . 30901 1
391 . 1 . 1 66 66 GLU C C 13 174.117 0 . 1 . . . . A 66 GLU C . 30901 1
392 . 1 . 1 66 66 GLU CA C 13 54.533 0.04 . 1 . . . . A 66 GLU CA . 30901 1
393 . 1 . 1 66 66 GLU CB C 13 29.989 0 . 1 . . . . A 66 GLU CB . 30901 1
394 . 1 . 1 66 66 GLU CG C 13 36.741 0 . 1 . . . . A 66 GLU CG . 30901 1
395 . 1 . 1 67 67 ALA H H 1 8.191 0.016 . 1 . . . . A 67 ALA H . 30901 1
396 . 1 . 1 67 67 ALA HA H 1 3.511 0 . 1 . . . . A 67 ALA HA . 30901 1
397 . 1 . 1 67 67 ALA CA C 13 50.342 0 . 1 . . . . A 67 ALA CA . 30901 1
398 . 1 . 1 67 67 ALA CB C 13 19.862 0 . 1 . . . . A 67 ALA CB . 30901 1
399 . 1 . 1 67 67 ALA N N 15 126.398 0.016 . 1 . . . . A 67 ALA N . 30901 1
400 . 1 . 1 68 68 PRO C C 13 174.959 0 . 1 . . . . A 68 PRO C . 30901 1
401 . 1 . 1 68 68 PRO CA C 13 62.365 0 . 1 . . . . A 68 PRO CA . 30901 1
402 . 1 . 1 68 68 PRO CB C 13 32.589 0 . 1 . . . . A 68 PRO CB . 30901 1
403 . 1 . 1 68 68 PRO CG C 13 28.468 0 . 1 . . . . A 68 PRO CG . 30901 1
404 . 1 . 1 69 69 ALA H H 1 8.954 0.006 . 1 . . . . A 69 ALA H . 30901 1
405 . 1 . 1 69 69 ALA HA H 1 4.303 0.64 . 1 . . . . A 69 ALA HA . 30901 1
406 . 1 . 1 69 69 ALA HB1 H 1 1.472 0 . 1 . . . . A 69 ALA HB1 . 30901 1
407 . 1 . 1 69 69 ALA HB2 H 1 1.472 0 . 1 . . . . A 69 ALA HB2 . 30901 1
408 . 1 . 1 69 69 ALA HB3 H 1 1.472 0 . 1 . . . . A 69 ALA HB3 . 30901 1
409 . 1 . 1 69 69 ALA C C 13 179.004 0 . 1 . . . . A 69 ALA C . 30901 1
410 . 1 . 1 69 69 ALA CA C 13 55.226 0.066 . 1 . . . . A 69 ALA CA . 30901 1
411 . 1 . 1 69 69 ALA CB C 13 18.782 0.066 . 1 . . . . A 69 ALA CB . 30901 1
412 . 1 . 1 69 69 ALA N N 15 125.704 0.006 . 1 . . . . A 69 ALA N . 30901 1
413 . 1 . 1 70 70 ASP H H 1 8.638 0.005 . 1 . . . . A 70 ASP H . 30901 1
414 . 1 . 1 70 70 ASP HA H 1 4.368 0 . 1 . . . . A 70 ASP HA . 30901 1
415 . 1 . 1 70 70 ASP C C 13 178.443 0 . 1 . . . . A 70 ASP C . 30901 1
416 . 1 . 1 70 70 ASP CA C 13 56.212 0.066 . 1 . . . . A 70 ASP CA . 30901 1
417 . 1 . 1 70 70 ASP CB C 13 39.415 0.022 . 1 . . . . A 70 ASP CB . 30901 1
418 . 1 . 1 70 70 ASP N N 15 114.379 0.015 . 1 . . . . A 70 ASP N . 30901 1
419 . 1 . 1 71 71 ARG H H 1 7.468 0.008 . 1 . . . . A 71 ARG H . 30901 1
420 . 1 . 1 71 71 ARG C C 13 176.175 0 . 1 . . . . A 71 ARG C . 30901 1
421 . 1 . 1 71 71 ARG CA C 13 56.502 0.149 . 1 . . . . A 71 ARG CA . 30901 1
422 . 1 . 1 71 71 ARG CB C 13 30.139 0.038 . 1 . . . . A 71 ARG CB . 30901 1
423 . 1 . 1 71 71 ARG N N 15 117.673 0 . 1 . . . . A 71 ARG N . 30901 1
424 . 1 . 1 72 72 VAL H H 1 7.264 0.012 . 1 . . . . A 72 VAL H . 30901 1
425 . 1 . 1 72 72 VAL HA H 1 3.729 0 . 1 . . . . A 72 VAL HA . 30901 1
426 . 1 . 1 72 72 VAL C C 13 176.689 0 . 1 . . . . A 72 VAL C . 30901 1
427 . 1 . 1 72 72 VAL CA C 13 66.362 0.089 . 1 . . . . A 72 VAL CA . 30901 1
428 . 1 . 1 72 72 VAL CB C 13 30.702 0.056 . 1 . . . . A 72 VAL CB . 30901 1
429 . 1 . 1 72 72 VAL CG1 C 13 21.675 0 . 1 . . . . A 72 VAL CG1 . 30901 1
430 . 1 . 1 72 72 VAL N N 15 118.037 0.006 . 1 . . . . A 72 VAL N . 30901 1
431 . 1 . 1 73 73 ASN H H 1 8.175 0.012 . 1 . . . . A 73 ASN H . 30901 1
432 . 1 . 1 73 73 ASN HA H 1 4.261 0.033 . 1 . . . . A 73 ASN HA . 30901 1
433 . 1 . 1 73 73 ASN HB2 H 1 2.746 0 . 1 . . . . A 73 ASN HB2 . 30901 1
434 . 1 . 1 73 73 ASN HB3 H 1 2.746 0 . 1 . . . . A 73 ASN HB3 . 30901 1
435 . 1 . 1 73 73 ASN C C 13 178.045 0 . 1 . . . . A 73 ASN C . 30901 1
436 . 1 . 1 73 73 ASN CA C 13 56.33 0.117 . 1 . . . . A 73 ASN CA . 30901 1
437 . 1 . 1 73 73 ASN CB C 13 37.714 0.083 . 1 . . . . A 73 ASN CB . 30901 1
438 . 1 . 1 73 73 ASN N N 15 118.5 0.001 . 1 . . . . A 73 ASN N . 30901 1
439 . 1 . 1 74 74 ASP H H 1 7.699 0.008 . 1 . . . . A 74 ASP H . 30901 1
440 . 1 . 1 74 74 ASP HA H 1 4.3 0.033 . 1 . . . . A 74 ASP HA . 30901 1
441 . 1 . 1 74 74 ASP HB2 H 1 2.746 0 . 1 . . . . A 74 ASP HB2 . 30901 1
442 . 1 . 1 74 74 ASP HB3 H 1 2.746 0 . 1 . . . . A 74 ASP HB3 . 30901 1
443 . 1 . 1 74 74 ASP C C 13 177.578 0 . 1 . . . . A 74 ASP C . 30901 1
444 . 1 . 1 74 74 ASP CA C 13 57.481 0.047 . 1 . . . . A 74 ASP CA . 30901 1
445 . 1 . 1 74 74 ASP CB C 13 40.388 0.104 . 1 . . . . A 74 ASP CB . 30901 1
446 . 1 . 1 74 74 ASP N N 15 122.176 0 . 1 . . . . A 74 ASP N . 30901 1
447 . 1 . 1 75 75 LEU H H 1 7.567 0.008 . 1 . . . . A 75 LEU H . 30901 1
448 . 1 . 1 75 75 LEU HA H 1 4.308 0 . 1 . . . . A 75 LEU HA . 30901 1
449 . 1 . 1 75 75 LEU HB2 H 1 1.377 0 . 1 . . . . A 75 LEU HB2 . 30901 1
450 . 1 . 1 75 75 LEU HB3 H 1 1.377 0 . 1 . . . . A 75 LEU HB3 . 30901 1
451 . 1 . 1 75 75 LEU C C 13 177.905 0 . 1 . . . . A 75 LEU C . 30901 1
452 . 1 . 1 75 75 LEU CA C 13 57.739 0.164 . 1 . . . . A 75 LEU CA . 30901 1
453 . 1 . 1 75 75 LEU CB C 13 40.667 0.066 . 1 . . . . A 75 LEU CB . 30901 1
454 . 1 . 1 75 75 LEU CG C 13 26.277 0 . 1 . . . . A 75 LEU CG . 30901 1
455 . 1 . 1 75 75 LEU N N 15 121.383 0 . 1 . . . . A 75 LEU N . 30901 1
456 . 1 . 1 76 76 ALA H H 1 8.123 0.004 . 1 . . . . A 76 ALA H . 30901 1
457 . 1 . 1 76 76 ALA HA H 1 3.623 0 . 1 . . . . A 76 ALA HA . 30901 1
458 . 1 . 1 76 76 ALA HB1 H 1 1.253 0 . 1 . . . . A 76 ALA HB1 . 30901 1
459 . 1 . 1 76 76 ALA HB2 H 1 1.253 0 . 1 . . . . A 76 ALA HB2 . 30901 1
460 . 1 . 1 76 76 ALA HB3 H 1 1.253 0 . 1 . . . . A 76 ALA HB3 . 30901 1
461 . 1 . 1 76 76 ALA C C 13 178.56 0 . 1 . . . . A 76 ALA C . 30901 1
462 . 1 . 1 76 76 ALA CA C 13 55.696 0.199 . 1 . . . . A 76 ALA CA . 30901 1
463 . 1 . 1 76 76 ALA CB C 13 17.639 0.089 . 1 . . . . A 76 ALA CB . 30901 1
464 . 1 . 1 76 76 ALA N N 15 119.964 0 . 1 . . . . A 76 ALA N . 30901 1
465 . 1 . 1 77 77 ARG H H 1 7.478 0.005 . 1 . . . . A 77 ARG H . 30901 1
466 . 1 . 1 77 77 ARG HA H 1 3.828 0 . 1 . . . . A 77 ARG HA . 30901 1
467 . 1 . 1 77 77 ARG HB2 H 1 1.952 0 . 1 . . . . A 77 ARG HB2 . 30901 1
468 . 1 . 1 77 77 ARG HB3 H 1 1.952 0 . 1 . . . . A 77 ARG HB3 . 30901 1
469 . 1 . 1 77 77 ARG C C 13 178.56 0 . 1 . . . . A 77 ARG C . 30901 1
470 . 1 . 1 77 77 ARG CA C 13 59.876 0.094 . 1 . . . . A 77 ARG CA . 30901 1
471 . 1 . 1 77 77 ARG CB C 13 29.84 0.123 . 1 . . . . A 77 ARG CB . 30901 1
472 . 1 . 1 77 77 ARG CG C 13 27.647 0 . 1 . . . . A 77 ARG CG . 30901 1
473 . 1 . 1 77 77 ARG CD C 13 43.59 0 . 1 . . . . A 77 ARG CD . 30901 1
474 . 1 . 1 77 77 ARG N N 15 116.43 0.007 . 1 . . . . A 77 ARG N . 30901 1
475 . 1 . 1 78 78 GLU H H 1 7.625 0.005 . 1 . . . . A 78 GLU H . 30901 1
476 . 1 . 1 78 78 GLU HA H 1 4.075 0 . 1 . . . . A 78 GLU HA . 30901 1
477 . 1 . 1 78 78 GLU HB2 H 1 1.555 0 . 1 . . . . A 78 GLU HB2 . 30901 1
478 . 1 . 1 78 78 GLU HB3 H 1 1.555 0 . 1 . . . . A 78 GLU HB3 . 30901 1
479 . 1 . 1 78 78 GLU C C 13 178.466 0 . 1 . . . . A 78 GLU C . 30901 1
480 . 1 . 1 78 78 GLU CA C 13 58.795 0.141 . 1 . . . . A 78 GLU CA . 30901 1
481 . 1 . 1 78 78 GLU CB C 13 29.208 0.141 . 1 . . . . A 78 GLU CB . 30901 1
482 . 1 . 1 78 78 GLU CG C 13 36.249 0 . 1 . . . . A 78 GLU CG . 30901 1
483 . 1 . 1 78 78 GLU N N 15 118.194 0.024 . 1 . . . . A 78 GLU N . 30901 1
484 . 1 . 1 79 79 LEU H H 1 8.023 0.013 . 1 . . . . A 79 LEU H . 30901 1
485 . 1 . 1 79 79 LEU HA H 1 4.048 0.014 . 1 . . . . A 79 LEU HA . 30901 1
486 . 1 . 1 79 79 LEU HB2 H 1 1.938 0 . 1 . . . . A 79 LEU HB2 . 30901 1
487 . 1 . 1 79 79 LEU HB3 H 1 1.938 0 . 1 . . . . A 79 LEU HB3 . 30901 1
488 . 1 . 1 79 79 LEU HG H 1 1.116 0 . 1 . . . . A 79 LEU HG . 30901 1
489 . 1 . 1 79 79 LEU C C 13 178.069 0 . 1 . . . . A 79 LEU C . 30901 1
490 . 1 . 1 79 79 LEU CA C 13 56.635 0.094 . 1 . . . . A 79 LEU CA . 30901 1
491 . 1 . 1 79 79 LEU CB C 13 43.143 0.116 . 1 . . . . A 79 LEU CB . 30901 1
492 . 1 . 1 79 79 LEU CG C 13 26.441 0 . 1 . . . . A 79 LEU CG . 30901 1
493 . 1 . 1 79 79 LEU CD1 C 13 22.99 0 . 1 . . . . A 79 LEU CD1 . 30901 1
494 . 1 . 1 79 79 LEU N N 15 117.75 0 . 1 . . . . A 79 LEU N . 30901 1
495 . 1 . 1 80 80 ARG H H 1 7.665 0.009 . 1 . . . . A 80 ARG H . 30901 1
496 . 1 . 1 80 80 ARG HA H 1 3.734 0.012 . 1 . . . . A 80 ARG HA . 30901 1
497 . 1 . 1 80 80 ARG HB2 H 1 1.801 0 . 1 . . . . A 80 ARG HB2 . 30901 1
498 . 1 . 1 80 80 ARG HB3 H 1 1.801 0 . 1 . . . . A 80 ARG HB3 . 30901 1
499 . 1 . 1 80 80 ARG C C 13 177.367 0 . 1 . . . . A 80 ARG C . 30901 1
500 . 1 . 1 80 80 ARG CA C 13 58.889 0.066 . 1 . . . . A 80 ARG CA . 30901 1
501 . 1 . 1 80 80 ARG CB C 13 30.445 0.155 . 1 . . . . A 80 ARG CB . 30901 1
502 . 1 . 1 80 80 ARG CG C 13 25.017 0 . 1 . . . . A 80 ARG CG . 30901 1
503 . 1 . 1 80 80 ARG CD C 13 44.138 0 . 1 . . . . A 80 ARG CD . 30901 1
504 . 1 . 1 80 80 ARG N N 15 114.238 0.022 . 1 . . . . A 80 ARG N . 30901 1
505 . 1 . 1 81 81 ILE H H 1 7.024 0.007 . 1 . . . . A 81 ILE H . 30901 1
506 . 1 . 1 81 81 ILE HA H 1 4.094 0.008 . 1 . . . . A 81 ILE HA . 30901 1
507 . 1 . 1 81 81 ILE HB H 1 2.048 0 . 1 . . . . A 81 ILE HB . 30901 1
508 . 1 . 1 81 81 ILE HG12 H 1 1.377 0 . 1 . . . . A 81 ILE HG12 . 30901 1
509 . 1 . 1 81 81 ILE HG13 H 1 1.377 0 . 1 . . . . A 81 ILE HG13 . 30901 1
510 . 1 . 1 81 81 ILE HD11 H 1 0.897 0 . 1 . . . . A 81 ILE HD11 . 30901 1
511 . 1 . 1 81 81 ILE HD12 H 1 0.897 0 . 1 . . . . A 81 ILE HD12 . 30901 1
512 . 1 . 1 81 81 ILE HD13 H 1 0.897 0 . 1 . . . . A 81 ILE HD13 . 30901 1
513 . 1 . 1 81 81 ILE C C 13 176.923 0 . 1 . . . . A 81 ILE C . 30901 1
514 . 1 . 1 81 81 ILE CA C 13 61.771 0.021 . 1 . . . . A 81 ILE CA . 30901 1
515 . 1 . 1 81 81 ILE CB C 13 38.101 0.088 . 1 . . . . A 81 ILE CB . 30901 1
516 . 1 . 1 81 81 ILE CG1 C 13 27.975 0 . 1 . . . . A 81 ILE CG1 . 30901 1
517 . 1 . 1 81 81 ILE CG2 C 13 17.73 0 . 1 . . . . A 81 ILE CG2 . 30901 1
518 . 1 . 1 81 81 ILE CD1 C 13 14.004 0 . 1 . . . . A 81 ILE CD1 . 30901 1
519 . 1 . 1 81 81 ILE N N 15 112.714 0.008 . 1 . . . . A 81 ILE N . 30901 1
520 . 1 . 1 82 82 LEU H H 1 7.239 0.007 . 1 . . . . A 82 LEU H . 30901 1
521 . 1 . 1 82 82 LEU HA H 1 4.12 0.01 . 1 . . . . A 82 LEU HA . 30901 1
522 . 1 . 1 82 82 LEU HB2 H 1 1.952 0 . 1 . . . . A 82 LEU HB2 . 30901 1
523 . 1 . 1 82 82 LEU HB3 H 1 1.952 0 . 1 . . . . A 82 LEU HB3 . 30901 1
524 . 1 . 1 82 82 LEU HG H 1 1.459 0 . 1 . . . . A 82 LEU HG . 30901 1
525 . 1 . 1 82 82 LEU C C 13 178.513 0 . 1 . . . . A 82 LEU C . 30901 1
526 . 1 . 1 82 82 LEU CA C 13 55.504 0.089 . 1 . . . . A 82 LEU CA . 30901 1
527 . 1 . 1 82 82 LEU CB C 13 40.933 0.022 . 1 . . . . A 82 LEU CB . 30901 1
528 . 1 . 1 82 82 LEU N N 15 122.684 0.023 . 1 . . . . A 82 LEU N . 30901 1
529 . 1 . 1 83 83 ASP H H 1 8.468 0.001 . 1 . . . . A 83 ASP H . 30901 1
530 . 1 . 1 83 83 ASP HA H 1 4.253 0 . 1 . . . . A 83 ASP HA . 30901 1
531 . 1 . 1 83 83 ASP HB2 H 1 2.609 0 . 1 . . . . A 83 ASP HB2 . 30901 1
532 . 1 . 1 83 83 ASP HB3 H 1 2.609 0 . 1 . . . . A 83 ASP HB3 . 30901 1
533 . 1 . 1 83 83 ASP C C 13 177.578 0 . 1 . . . . A 83 ASP C . 30901 1
534 . 1 . 1 83 83 ASP CA C 13 57.058 0.188 . 1 . . . . A 83 ASP CA . 30901 1
535 . 1 . 1 83 83 ASP CB C 13 41.043 0 . 1 . . . . A 83 ASP CB . 30901 1
536 . 1 . 1 83 83 ASP N N 15 123.351 0 . 1 . . . . A 83 ASP N . 30901 1
537 . 1 . 1 84 84 ALA H H 1 8.388 0.007 . 1 . . . . A 84 ALA H . 30901 1
538 . 1 . 1 84 84 ALA HA H 1 4.252 0.001 . 1 . . . . A 84 ALA HA . 30901 1
539 . 1 . 1 84 84 ALA HB1 H 1 1.418 0 . 1 . . . . A 84 ALA HB1 . 30901 1
540 . 1 . 1 84 84 ALA HB2 H 1 1.418 0 . 1 . . . . A 84 ALA HB2 . 30901 1
541 . 1 . 1 84 84 ALA HB3 H 1 1.418 0 . 1 . . . . A 84 ALA HB3 . 30901 1
542 . 1 . 1 84 84 ALA CA C 13 53.27 0.022 . 1 . . . . A 84 ALA CA . 30901 1
543 . 1 . 1 84 84 ALA CB C 13 20.175 0.022 . 1 . . . . A 84 ALA CB . 30901 1
544 . 1 . 1 84 84 ALA N N 15 116.933 0.002 . 1 . . . . A 84 ALA N . 30901 1
545 . 1 . 1 85 85 VAL H H 1 7.325 0.046 . 1 . . . . A 85 VAL H . 30901 1
546 . 1 . 1 85 85 VAL HA H 1 3.816 0.001 . 1 . . . . A 85 VAL HA . 30901 1
547 . 1 . 1 85 85 VAL C C 13 175.473 0 . 1 . . . . A 85 VAL C . 30901 1
548 . 1 . 1 85 85 VAL CA C 13 63.351 0.047 . 1 . . . . A 85 VAL CA . 30901 1
549 . 1 . 1 85 85 VAL CB C 13 32.465 0.022 . 1 . . . . A 85 VAL CB . 30901 1
550 . 1 . 1 85 85 VAL N N 15 117.687 0.004 . 1 . . . . A 85 VAL N . 30901 1
551 . 1 . 1 86 86 ARG H H 1 9.484 0.004 . 1 . . . . A 86 ARG H . 30901 1
552 . 1 . 1 86 86 ARG HA H 1 4.434 0.016 . 1 . . . . A 86 ARG HA . 30901 1
553 . 1 . 1 86 86 ARG HB2 H 1 1.596 0 . 1 . . . . A 86 ARG HB2 . 30901 1
554 . 1 . 1 86 86 ARG HB3 H 1 1.596 0 . 1 . . . . A 86 ARG HB3 . 30901 1
555 . 1 . 1 86 86 ARG C C 13 176.642 0 . 1 . . . . A 86 ARG C . 30901 1
556 . 1 . 1 86 86 ARG CA C 13 56.776 0 . 1 . . . . A 86 ARG CA . 30901 1
557 . 1 . 1 86 86 ARG CB C 13 32.044 0.221 . 1 . . . . A 86 ARG CB . 30901 1
558 . 1 . 1 86 86 ARG CG C 13 27.427 0 . 1 . . . . A 86 ARG CG . 30901 1
559 . 1 . 1 86 86 ARG N N 15 127.703 0.011 . 1 . . . . A 86 ARG N . 30901 1
560 . 1 . 1 87 87 ARG H H 1 7.811 0.008 . 1 . . . . A 87 ARG H . 30901 1
561 . 1 . 1 87 87 ARG HA H 1 4.562 0.006 . 1 . . . . A 87 ARG HA . 30901 1
562 . 1 . 1 87 87 ARG HB2 H 1 1.705 0 . 1 . . . . A 87 ARG HB2 . 30901 1
563 . 1 . 1 87 87 ARG HB3 H 1 1.705 0 . 1 . . . . A 87 ARG HB3 . 30901 1
564 . 1 . 1 87 87 ARG C C 13 173.173 0 . 1 . . . . A 87 ARG C . 30901 1
565 . 1 . 1 87 87 ARG CA C 13 55.672 0.071 . 1 . . . . A 87 ARG CA . 30901 1
566 . 1 . 1 87 87 ARG CB C 13 33.834 0.024 . 1 . . . . A 87 ARG CB . 30901 1
567 . 1 . 1 87 87 ARG CG C 13 27.756 0 . 1 . . . . A 87 ARG CG . 30901 1
568 . 1 . 1 87 87 ARG CD C 13 44.193 0 . 1 . . . . A 87 ARG CD . 30901 1
569 . 1 . 1 87 87 ARG N N 15 116.755 0.022 . 1 . . . . A 87 ARG N . 30901 1
570 . 1 . 1 88 88 VAL H H 1 8.908 0.006 . 1 . . . . A 88 VAL H . 30901 1
571 . 1 . 1 88 88 VAL HA H 1 4.992 0.014 . 1 . . . . A 88 VAL HA . 30901 1
572 . 1 . 1 88 88 VAL HB H 1 1.746 0 . 1 . . . . A 88 VAL HB . 30901 1
573 . 1 . 1 88 88 VAL HG11 H 1 0.788 0 . 1 . . . . A 88 VAL HG11 . 30901 1
574 . 1 . 1 88 88 VAL HG12 H 1 0.788 0 . 1 . . . . A 88 VAL HG12 . 30901 1
575 . 1 . 1 88 88 VAL HG13 H 1 0.788 0 . 1 . . . . A 88 VAL HG13 . 30901 1
576 . 1 . 1 88 88 VAL HG21 H 1 0.788 0 . 1 . . . . A 88 VAL HG21 . 30901 1
577 . 1 . 1 88 88 VAL HG22 H 1 0.788 0 . 1 . . . . A 88 VAL HG22 . 30901 1
578 . 1 . 1 88 88 VAL HG23 H 1 0.788 0 . 1 . . . . A 88 VAL HG23 . 30901 1
579 . 1 . 1 88 88 VAL C C 13 174.866 0 . 1 . . . . A 88 VAL C . 30901 1
580 . 1 . 1 88 88 VAL CA C 13 61.137 0.186 . 1 . . . . A 88 VAL CA . 30901 1
581 . 1 . 1 88 88 VAL CB C 13 34.716 0.201 . 1 . . . . A 88 VAL CB . 30901 1
582 . 1 . 1 88 88 VAL CG1 C 13 23.154 0 . 1 . . . . A 88 VAL CG1 . 30901 1
583 . 1 . 1 88 88 VAL CG2 C 13 21.675 0 . 1 . . . . A 88 VAL CG2 . 30901 1
584 . 1 . 1 88 88 VAL N N 15 122.189 0 . 1 . . . . A 88 VAL N . 30901 1
585 . 1 . 1 89 89 GLU H H 1 9.004 0.012 . 1 . . . . A 89 GLU H . 30901 1
586 . 1 . 1 89 89 GLU HA H 1 4.776 0.015 . 1 . . . . A 89 GLU HA . 30901 1
587 . 1 . 1 89 89 GLU HB2 H 1 1.952 0 . 1 . . . . A 89 GLU HB2 . 30901 1
588 . 1 . 1 89 89 GLU HB3 H 1 1.952 0 . 1 . . . . A 89 GLU HB3 . 30901 1
589 . 1 . 1 89 89 GLU C C 13 177.858 0 . 1 . . . . A 89 GLU C . 30901 1
590 . 1 . 1 89 89 GLU CA C 13 54.685 0.124 . 1 . . . . A 89 GLU CA . 30901 1
591 . 1 . 1 89 89 GLU CB C 13 33.107 0.075 . 1 . . . . A 89 GLU CB . 30901 1
592 . 1 . 1 89 89 GLU CG C 13 35.92 0 . 1 . . . . A 89 GLU CG . 30901 1
593 . 1 . 1 89 89 GLU N N 15 127.039 0 . 1 . . . . A 89 GLU N . 30901 1
594 . 1 . 1 90 90 VAL H H 1 8.95 0.005 . 1 . . . . A 90 VAL H . 30901 1
595 . 1 . 1 90 90 VAL HA H 1 4.873 0.024 . 1 . . . . A 90 VAL HA . 30901 1
596 . 1 . 1 90 90 VAL HB H 1 1.911 0 . 1 . . . . A 90 VAL HB . 30901 1
597 . 1 . 1 90 90 VAL HG11 H 1 0.719 0 . 1 . . . . A 90 VAL HG11 . 30901 1
598 . 1 . 1 90 90 VAL HG12 H 1 0.719 0 . 1 . . . . A 90 VAL HG12 . 30901 1
599 . 1 . 1 90 90 VAL HG13 H 1 0.719 0 . 1 . . . . A 90 VAL HG13 . 30901 1
600 . 1 . 1 90 90 VAL HG21 H 1 0.719 0 . 1 . . . . A 90 VAL HG21 . 30901 1
601 . 1 . 1 90 90 VAL HG22 H 1 0.719 0 . 1 . . . . A 90 VAL HG22 . 30901 1
602 . 1 . 1 90 90 VAL HG23 H 1 0.719 0 . 1 . . . . A 90 VAL HG23 . 30901 1
603 . 1 . 1 90 90 VAL C C 13 175.637 0 . 1 . . . . A 90 VAL C . 30901 1
604 . 1 . 1 90 90 VAL CA C 13 61.77 0.044 . 1 . . . . A 90 VAL CA . 30901 1
605 . 1 . 1 90 90 VAL CB C 13 33.341 0.094 . 1 . . . . A 90 VAL CB . 30901 1
606 . 1 . 1 90 90 VAL CG1 C 13 21.729 0 . 1 . . . . A 90 VAL CG1 . 30901 1
607 . 1 . 1 90 90 VAL CG2 C 13 21.729 0 . 1 . . . . A 90 VAL CG2 . 30901 1
608 . 1 . 1 90 90 VAL N N 15 126.266 0.003 . 1 . . . . A 90 VAL N . 30901 1
609 . 1 . 1 91 91 THR H H 1 9.131 0.007 . 1 . . . . A 91 THR H . 30901 1
610 . 1 . 1 91 91 THR HA H 1 4.711 0.033 . 1 . . . . A 91 THR HA . 30901 1
611 . 1 . 1 91 91 THR HB H 1 4.267 0 . 1 . . . . A 91 THR HB . 30901 1
612 . 1 . 1 91 91 THR HG21 H 1 1.157 0 . 1 . . . . A 91 THR HG21 . 30901 1
613 . 1 . 1 91 91 THR HG22 H 1 1.157 0 . 1 . . . . A 91 THR HG22 . 30901 1
614 . 1 . 1 91 91 THR HG23 H 1 1.157 0 . 1 . . . . A 91 THR HG23 . 30901 1
615 . 1 . 1 91 91 THR C C 13 173.533 0 . 1 . . . . A 91 THR C . 30901 1
616 . 1 . 1 91 91 THR CA C 13 60.346 0.047 . 1 . . . . A 91 THR CA . 30901 1
617 . 1 . 1 91 91 THR CB C 13 71.257 0.111 . 1 . . . . A 91 THR CB . 30901 1
618 . 1 . 1 91 91 THR CG2 C 13 21.839 0 . 1 . . . . A 91 THR CG2 . 30901 1
619 . 1 . 1 91 91 THR N N 15 120.979 0.007 . 1 . . . . A 91 THR N . 30901 1
620 . 1 . 1 92 92 TYR H H 1 8.511 0.004 . 1 . . . . A 92 TYR H . 30901 1
621 . 1 . 1 92 92 TYR HA H 1 4.614 0.022 . 1 . . . . A 92 TYR HA . 30901 1
622 . 1 . 1 92 92 TYR HB2 H 1 2.938 0 . 1 . . . . A 92 TYR HB2 . 30901 1
623 . 1 . 1 92 92 TYR HB3 H 1 2.938 0 . 1 . . . . A 92 TYR HB3 . 30901 1
624 . 1 . 1 92 92 TYR C C 13 175.567 0 . 1 . . . . A 92 TYR C . 30901 1
625 . 1 . 1 92 92 TYR CA C 13 57.926 0.117 . 1 . . . . A 92 TYR CA . 30901 1
626 . 1 . 1 92 92 TYR CB C 13 38.836 0.066 . 1 . . . . A 92 TYR CB . 30901 1
627 . 1 . 1 92 92 TYR N N 15 121.892 0 . 1 . . . . A 92 TYR N . 30901 1
628 . 1 . 1 93 93 ALA H H 1 8.262 0.005 . 1 . . . . A 93 ALA H . 30901 1
629 . 1 . 1 93 93 ALA HA H 1 4.24 0.013 . 1 . . . . A 93 ALA HA . 30901 1
630 . 1 . 1 93 93 ALA HB1 H 1 1.226 0 . 1 . . . . A 93 ALA HB1 . 30901 1
631 . 1 . 1 93 93 ALA HB2 H 1 1.226 0 . 1 . . . . A 93 ALA HB2 . 30901 1
632 . 1 . 1 93 93 ALA HB3 H 1 1.226 0 . 1 . . . . A 93 ALA HB3 . 30901 1
633 . 1 . 1 93 93 ALA C C 13 176.549 0 . 1 . . . . A 93 ALA C . 30901 1
634 . 1 . 1 93 93 ALA CA C 13 51.923 0.044 . 1 . . . . A 93 ALA CA . 30901 1
635 . 1 . 1 93 93 ALA CB C 13 19.424 0.022 . 1 . . . . A 93 ALA CB . 30901 1
636 . 1 . 1 93 93 ALA N N 15 126.889 0 . 1 . . . . A 93 ALA N . 30901 1
637 . 1 . 1 94 94 ALA H H 1 8.187 0.007 . 1 . . . . A 94 ALA H . 30901 1
638 . 1 . 1 94 94 ALA HA H 1 4.258 0.005 . 1 . . . . A 94 ALA HA . 30901 1
639 . 1 . 1 94 94 ALA HB1 H 1 1.335 0 . 1 . . . . A 94 ALA HB1 . 30901 1
640 . 1 . 1 94 94 ALA HB2 H 1 1.335 0 . 1 . . . . A 94 ALA HB2 . 30901 1
641 . 1 . 1 94 94 ALA HB3 H 1 1.335 0 . 1 . . . . A 94 ALA HB3 . 30901 1
642 . 1 . 1 94 94 ALA C C 13 176.409 0 . 1 . . . . A 94 ALA C . 30901 1
643 . 1 . 1 94 94 ALA CA C 13 52.33 0.022 . 1 . . . . A 94 ALA CA . 30901 1
644 . 1 . 1 94 94 ALA CB C 13 19.439 0.066 . 1 . . . . A 94 ALA CB . 30901 1
645 . 1 . 1 94 94 ALA N N 15 124.645 0 . 1 . . . . A 94 ALA N . 30901 1
646 . 1 . 1 95 95 ASP H H 1 7.884 0.011 . 1 . . . . A 95 ASP H . 30901 1
647 . 1 . 1 95 95 ASP HA H 1 4.309 0 . 1 . . . . A 95 ASP HA . 30901 1
648 . 1 . 1 95 95 ASP CA C 13 55.79 0 . 1 . . . . A 95 ASP CA . 30901 1
649 . 1 . 1 95 95 ASP CB C 13 42.217 0 . 1 . . . . A 95 ASP CB . 30901 1
650 . 1 . 1 95 95 ASP N N 15 125.225 0 . 1 . . . . A 95 ASP N . 30901 1
stop_
save_