Content for NMR-STAR saveframe, "chem_shift_list_1"
save_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 6945
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing
_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
. . . . isotropic 6945 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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.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 C C 13 175.59 0.02 . 1 . . . . 1 MET CO . 6945 1
2 . 1 1 2 2 GLU H H 1 7.946 0.013 . 1 . . . . 2 GLU HN . 6945 1
3 . 1 1 2 2 GLU HA H 1 4.062 0.02 . 1 . . . . 2 GLU HA . 6945 1
4 . 1 1 2 2 GLU HB2 H 1 1.999 0.02 . 1 . . . . 2 GLU QB . 6945 1
5 . 1 1 2 2 GLU HB3 H 1 1.999 0.02 . 1 . . . . 2 GLU QB . 6945 1
6 . 1 1 2 2 GLU C C 13 177.86 0.02 . 1 . . . . 2 GLU CO . 6945 1
7 . 1 1 2 2 GLU CA C 13 56.775 0.267 . 1 . . . . 2 GLU CA . 6945 1
8 . 1 1 2 2 GLU CB C 13 30.934 0.273 . 1 . . . . 2 GLU CB . 6945 1
9 . 1 1 2 2 GLU N N 15 118.537 0.076 . 1 . . . . 2 GLU N . 6945 1
10 . 1 1 3 3 ALA H H 1 8.562 0.028 . 1 . . . . 3 ALA HN . 6945 1
11 . 1 1 3 3 ALA HA H 1 3.887 0.02 . 1 . . . . 3 ALA HA . 6945 1
12 . 1 1 3 3 ALA C C 13 177.359 0.02 . 1 . . . . 3 ALA CO . 6945 1
13 . 1 1 3 3 ALA CA C 13 52.846 0.001 . 1 . . . . 3 ALA CA . 6945 1
14 . 1 1 3 3 ALA CB C 13 19.329 0.009 . 1 . . . . 3 ALA CB . 6945 1
15 . 1 1 3 3 ALA N N 15 126.006 0.033 . 1 . . . . 3 ALA N . 6945 1
16 . 1 1 4 4 VAL H H 1 8.247 0.038 . 1 . . . . 4 VAL HN . 6945 1
17 . 1 1 4 4 VAL HA H 1 3.98 0.013 . 1 . . . . 4 VAL HA . 6945 1
18 . 1 1 4 4 VAL HB H 1 2.011 0.021 . 1 . . . . 4 VAL HB . 6945 1
19 . 1 1 4 4 VAL HG11 H 1 0.906 0.008 . 1 . . . . 4 VAL QG1 . 6945 1
20 . 1 1 4 4 VAL HG12 H 1 0.906 0.008 . 1 . . . . 4 VAL QG1 . 6945 1
21 . 1 1 4 4 VAL HG13 H 1 0.906 0.008 . 1 . . . . 4 VAL QG1 . 6945 1
22 . 1 1 4 4 VAL C C 13 176.604 0.02 . 1 . . . . 4 VAL CO . 6945 1
23 . 1 1 4 4 VAL CA C 13 62.571 0.035 . 1 . . . . 4 VAL CA . 6945 1
24 . 1 1 4 4 VAL CB C 13 33.191 0.15 . 1 . . . . 4 VAL CB . 6945 1
25 . 1 1 4 4 VAL N N 15 119.843 0.026 . 1 . . . . 4 VAL N . 6945 1
26 . 1 1 5 5 ASP H H 1 8.372 0.033 . 1 . . . . 5 ASP HN . 6945 1
27 . 1 1 5 5 ASP HA H 1 4.533 0.103 . 1 . . . . 5 ASP HA . 6945 1
28 . 1 1 5 5 ASP HB2 H 1 2.736 0.07 . 1 . . . . 5 ASP HB2 . 6945 1
29 . 1 1 5 5 ASP HB3 H 1 2.619 0.014 . 1 . . . . 5 ASP HB3 . 6945 1
30 . 1 1 5 5 ASP C C 13 177.146 0.02 . 1 . . . . 5 ASP CO . 6945 1
31 . 1 1 5 5 ASP CA C 13 54.358 0.128 . 1 . . . . 5 ASP CA . 6945 1
32 . 1 1 5 5 ASP CB C 13 41.642 0.045 . 1 . . . . 5 ASP CB . 6945 1
33 . 1 1 5 5 ASP N N 15 124.737 0.138 . 1 . . . . 5 ASP N . 6945 1
34 . 1 1 6 6 ALA H H 1 8.593 0.032 . 1 . . . . 6 ALA HN . 6945 1
35 . 1 1 6 6 ALA HA H 1 4.067 0.021 . 1 . . . . 6 ALA HA . 6945 1
36 . 1 1 6 6 ALA HB1 H 1 1.356 0.012 . 1 . . . . 6 ALA QB . 6945 1
37 . 1 1 6 6 ALA HB2 H 1 1.356 0.012 . 1 . . . . 6 ALA QB . 6945 1
38 . 1 1 6 6 ALA HB3 H 1 1.356 0.012 . 1 . . . . 6 ALA QB . 6945 1
39 . 1 1 6 6 ALA C C 13 174.108 0.02 . 1 . . . . 6 ALA CO . 6945 1
40 . 1 1 6 6 ALA CA C 13 54.203 0.316 . 1 . . . . 6 ALA CA . 6945 1
41 . 1 1 6 6 ALA CB C 13 18.958 0.183 . 1 . . . . 6 ALA CB . 6945 1
42 . 1 1 6 6 ALA N N 15 126.7 0.029 . 1 . . . . 6 ALA N . 6945 1
43 . 1 1 7 7 ASN H H 1 8.567 0.023 . 1 . . . . 7 ASN HN . 6945 1
44 . 1 1 7 7 ASN HA H 1 4.599 0.113 . 1 . . . . 7 ASN HA . 6945 1
45 . 1 1 7 7 ASN HB2 H 1 2.794 0.016 . 1 . . . . 7 ASN QB . 6945 1
46 . 1 1 7 7 ASN HB3 H 1 2.794 0.016 . 1 . . . . 7 ASN QB . 6945 1
47 . 1 1 7 7 ASN HD21 H 1 7.823 0.015 . 1 . . . . 7 ASN HD21 . 6945 1
48 . 1 1 7 7 ASN HD22 H 1 6.961 0.005 . 1 . . . . 7 ASN HD22 . 6945 1
49 . 1 1 7 7 ASN C C 13 176.699 0.02 . 1 . . . . 7 ASN CO . 6945 1
50 . 1 1 7 7 ASN CA C 13 55.057 0.268 . 1 . . . . 7 ASN CA . 6945 1
51 . 1 1 7 7 ASN CB C 13 38.581 0.091 . 1 . . . . 7 ASN CB . 6945 1
52 . 1 1 7 7 ASN N N 15 118.039 0.089 . 1 . . . . 7 ASN N . 6945 1
53 . 1 1 7 7 ASN ND2 N 15 113.602 0.019 . 1 . . . . 7 ASN ND2 . 6945 1
54 . 1 1 8 8 SER H H 1 8.336 0.027 . 1 . . . . 8 SER HN . 6945 1
55 . 1 1 8 8 SER HA H 1 4.206 0.083 . 1 . . . . 8 SER HA . 6945 1
56 . 1 1 8 8 SER HB2 H 1 3.879 0.016 . 1 . . . . 8 SER QB . 6945 1
57 . 1 1 8 8 SER HB3 H 1 3.879 0.016 . 1 . . . . 8 SER QB . 6945 1
58 . 1 1 8 8 SER C C 13 176.63 0.02 . 1 . . . . 8 SER CO . 6945 1
59 . 1 1 8 8 SER CA C 13 60.902 0.227 . 1 . . . . 8 SER CA . 6945 1
60 . 1 1 8 8 SER CB C 13 62.728 0.138 . 1 . . . . 8 SER CB . 6945 1
61 . 1 1 8 8 SER N N 15 116.769 0.165 . 1 . . . . 8 SER N . 6945 1
62 . 1 1 9 9 LEU H H 1 8.138 0.009 . 1 . . . . 9 LEU HN . 6945 1
63 . 1 1 9 9 LEU HA H 1 3.951 0.051 . 1 . . . . 9 LEU HA . 6945 1
64 . 1 1 9 9 LEU HB2 H 1 1.838 0.018 . 1 . . . . 9 LEU QB . 6945 1
65 . 1 1 9 9 LEU HB3 H 1 1.838 0.018 . 1 . . . . 9 LEU QB . 6945 1
66 . 1 1 9 9 LEU HG H 1 1.325 0.012 . 1 . . . . 9 LEU HG . 6945 1
67 . 1 1 9 9 LEU HD11 H 1 0.751 0.021 . 1 . . . . 9 LEU QD1 . 6945 1
68 . 1 1 9 9 LEU HD12 H 1 0.751 0.021 . 1 . . . . 9 LEU QD1 . 6945 1
69 . 1 1 9 9 LEU HD13 H 1 0.751 0.021 . 1 . . . . 9 LEU QD1 . 6945 1
70 . 1 1 9 9 LEU HD21 H 1 0.535 0.034 . 1 . . . . 9 LEU QD2 . 6945 1
71 . 1 1 9 9 LEU HD22 H 1 0.535 0.034 . 1 . . . . 9 LEU QD2 . 6945 1
72 . 1 1 9 9 LEU HD23 H 1 0.535 0.034 . 1 . . . . 9 LEU QD2 . 6945 1
73 . 1 1 9 9 LEU C C 13 175.818 0.02 . 1 . . . . 9 LEU CO . 6945 1
74 . 1 1 9 9 LEU CA C 13 58.232 0.094 . 1 . . . . 9 LEU CA . 6945 1
75 . 1 1 9 9 LEU CB C 13 41.726 0.052 . 1 . . . . 9 LEU CB . 6945 1
76 . 1 1 9 9 LEU CG C 13 25.966 0.079 . 1 . . . . 9 LEU CG . 6945 1
77 . 1 1 9 9 LEU CD1 C 13 23.36 0.058 . 1 . . . . 9 LEU CD1 . 6945 1
78 . 1 1 9 9 LEU N N 15 124.088 0.054 . 1 . . . . 9 LEU N . 6945 1
79 . 1 1 10 10 ALA H H 1 8.079 0.018 . 1 . . . . 10 ALA HN . 6945 1
80 . 1 1 10 10 ALA HA H 1 3.973 0.011 . 1 . . . . 10 ALA HA . 6945 1
81 . 1 1 10 10 ALA HB1 H 1 1.422 0.008 . 1 . . . . 10 ALA QB . 6945 1
82 . 1 1 10 10 ALA HB2 H 1 1.422 0.008 . 1 . . . . 10 ALA QB . 6945 1
83 . 1 1 10 10 ALA HB3 H 1 1.422 0.008 . 1 . . . . 10 ALA QB . 6945 1
84 . 1 1 10 10 ALA C C 13 172.16 0.02 . 1 . . . . 10 ALA CO . 6945 1
85 . 1 1 10 10 ALA CA C 13 55.384 0.162 . 1 . . . . 10 ALA CA . 6945 1
86 . 1 1 10 10 ALA CB C 13 18.256 0.093 . 1 . . . . 10 ALA CB . 6945 1
87 . 1 1 10 10 ALA N N 15 121.055 0.125 . 1 . . . . 10 ALA N . 6945 1
88 . 1 1 11 11 GLN H H 1 8.23 0.015 . 1 . . . . 11 GLN HN . 6945 1
89 . 1 1 11 11 GLN HA H 1 3.99 0.016 . 1 . . . . 11 GLN HA . 6945 1
90 . 1 1 11 11 GLN HB2 H 1 2.051 0.061 . 1 . . . . 11 GLN QB . 6945 1
91 . 1 1 11 11 GLN HB3 H 1 2.051 0.061 . 1 . . . . 11 GLN QB . 6945 1
92 . 1 1 11 11 GLN HG2 H 1 2.486 0.033 . 1 . . . . 11 GLN HG1 . 6945 1
93 . 1 1 11 11 GLN HG3 H 1 2.327 0.024 . 1 . . . . 11 GLN HG2 . 6945 1
94 . 1 1 11 11 GLN HE21 H 1 7.447 0.003 . 1 . . . . 11 GLN HE21 . 6945 1
95 . 1 1 11 11 GLN HE22 H 1 6.856 0.009 . 1 . . . . 11 GLN HE22 . 6945 1
96 . 1 1 11 11 GLN C C 13 174.621 0.02 . 1 . . . . 11 GLN CO . 6945 1
97 . 1 1 11 11 GLN CA C 13 58.865 0.181 . 1 . . . . 11 GLN CA . 6945 1
98 . 1 1 11 11 GLN CB C 13 28.622 0.031 . 1 . . . . 11 GLN CB . 6945 1
99 . 1 1 11 11 GLN CG C 13 34.421 0.013 . 1 . . . . 11 GLN CG . 6945 1
100 . 1 1 11 11 GLN N N 15 117.256 0.119 . 1 . . . . 11 GLN N . 6945 1
101 . 1 1 11 11 GLN NE2 N 15 111.631 0.006 . 1 . . . . 11 GLN NE2 . 6945 1
102 . 1 1 12 12 ALA H H 1 8.13 0.024 . 1 . . . . 12 ALA HN . 6945 1
103 . 1 1 12 12 ALA HA H 1 4.184 0.037 . 1 . . . . 12 ALA HA . 6945 1
104 . 1 1 12 12 ALA HB1 H 1 1.545 0.012 . 1 . . . . 12 ALA QB . 6945 1
105 . 1 1 12 12 ALA HB2 H 1 1.545 0.012 . 1 . . . . 12 ALA QB . 6945 1
106 . 1 1 12 12 ALA HB3 H 1 1.545 0.012 . 1 . . . . 12 ALA QB . 6945 1
107 . 1 1 12 12 ALA C C 13 172.139 0.02 . 1 . . . . 12 ALA CO . 6945 1
108 . 1 1 12 12 ALA CA C 13 55.215 0.206 . 1 . . . . 12 ALA CA . 6945 1
109 . 1 1 12 12 ALA CB C 13 18.481 0.089 . 1 . . . . 12 ALA CB . 6945 1
110 . 1 1 12 12 ALA N N 15 123.201 0.09 . 1 . . . . 12 ALA N . 6945 1
111 . 1 1 13 13 LYS H H 1 8.349 0.024 . 1 . . . . 13 LYS HN . 6945 1
112 . 1 1 13 13 LYS HA H 1 3.599 0.024 . 1 . . . . 13 LYS HA . 6945 1
113 . 1 1 13 13 LYS HB2 H 1 1.864 0.02 . 1 . . . . 13 LYS HB2 . 6945 1
114 . 1 1 13 13 LYS HB3 H 1 1.784 0.005 . 1 . . . . 13 LYS HB3 . 6945 1
115 . 1 1 13 13 LYS HG2 H 1 1.624 0.03 . 1 . . . . 13 LYS QG . 6945 1
116 . 1 1 13 13 LYS HG3 H 1 1.624 0.03 . 1 . . . . 13 LYS QG . 6945 1
117 . 1 1 13 13 LYS HD2 H 1 1.769 0.02 . 1 . . . . 13 LYS QD . 6945 1
118 . 1 1 13 13 LYS HD3 H 1 1.769 0.02 . 1 . . . . 13 LYS QD . 6945 1
119 . 1 1 13 13 LYS HE2 H 1 2.794 0.018 . 1 . . . . 13 LYS QE . 6945 1
120 . 1 1 13 13 LYS HE3 H 1 2.794 0.018 . 1 . . . . 13 LYS QE . 6945 1
121 . 1 1 13 13 LYS CA C 13 60.605 0.17 . 1 . . . . 13 LYS CA . 6945 1
122 . 1 1 13 13 LYS CB C 13 33.638 0.051 . 1 . . . . 13 LYS CB . 6945 1
123 . 1 1 13 13 LYS CD C 13 29.186 0.02 . 1 . . . . 13 LYS CD . 6945 1
124 . 1 1 13 13 LYS N N 15 119.158 0.089 . 1 . . . . 13 LYS N . 6945 1
125 . 1 1 14 14 GLU H H 1 7.928 0.037 . 1 . . . . 14 GLU HN . 6945 1
126 . 1 1 14 14 GLU HA H 1 3.832 0.007 . 1 . . . . 14 GLU HA . 6945 1
127 . 1 1 14 14 GLU HB2 H 1 2 0.005 . 1 . . . . 14 GLU QB . 6945 1
128 . 1 1 14 14 GLU HB3 H 1 2 0.005 . 1 . . . . 14 GLU QB . 6945 1
129 . 1 1 14 14 GLU HG2 H 1 2.322 0.001 . 1 . . . . 14 GLU QG . 6945 1
130 . 1 1 14 14 GLU HG3 H 1 2.322 0.001 . 1 . . . . 14 GLU QG . 6945 1
131 . 1 1 14 14 GLU C C 13 174.03 0.02 . 1 . . . . 14 GLU CO . 6945 1
132 . 1 1 14 14 GLU CA C 13 59.608 0.219 . 1 . . . . 14 GLU CA . 6945 1
133 . 1 1 14 14 GLU CB C 13 29.698 0.072 . 1 . . . . 14 GLU CB . 6945 1
134 . 1 1 14 14 GLU CG C 13 36.538 0.056 . 1 . . . . 14 GLU CG . 6945 1
135 . 1 1 14 14 GLU N N 15 117.552 0.17 . 1 . . . . 14 GLU N . 6945 1
136 . 1 1 15 15 ALA H H 1 8.158 0.019 . 1 . . . . 15 ALA HN . 6945 1
137 . 1 1 15 15 ALA HA H 1 4.041 0.007 . 1 . . . . 15 ALA HA . 6945 1
138 . 1 1 15 15 ALA HB1 H 1 1.419 0.02 . 1 . . . . 15 ALA QB . 6945 1
139 . 1 1 15 15 ALA HB2 H 1 1.419 0.02 . 1 . . . . 15 ALA QB . 6945 1
140 . 1 1 15 15 ALA HB3 H 1 1.419 0.02 . 1 . . . . 15 ALA QB . 6945 1
141 . 1 1 15 15 ALA C C 13 175.675 0.02 . 1 . . . . 15 ALA CO . 6945 1
142 . 1 1 15 15 ALA CA C 13 54.951 0.132 . 1 . . . . 15 ALA CA . 6945 1
143 . 1 1 15 15 ALA CB C 13 18.25 0.15 . 1 . . . . 15 ALA CB . 6945 1
144 . 1 1 15 15 ALA N N 15 120.832 0.182 . 1 . . . . 15 ALA N . 6945 1
145 . 1 1 16 16 ALA H H 1 8.04 0.055 . 1 . . . . 16 ALA HN . 6945 1
146 . 1 1 16 16 ALA HA H 1 4.019 0.009 . 1 . . . . 16 ALA HA . 6945 1
147 . 1 1 16 16 ALA HB1 H 1 1.328 0.023 . 1 . . . . 16 ALA QB . 6945 1
148 . 1 1 16 16 ALA HB2 H 1 1.328 0.023 . 1 . . . . 16 ALA QB . 6945 1
149 . 1 1 16 16 ALA HB3 H 1 1.328 0.023 . 1 . . . . 16 ALA QB . 6945 1
150 . 1 1 16 16 ALA C C 13 174.243 0.02 . 1 . . . . 16 ALA CO . 6945 1
151 . 1 1 16 16 ALA CA C 13 55.189 0.228 . 1 . . . . 16 ALA CA . 6945 1
152 . 1 1 16 16 ALA CB C 13 18.81 0.119 . 1 . . . . 16 ALA CB . 6945 1
153 . 1 1 16 16 ALA N N 15 121.177 0.112 . 1 . . . . 16 ALA N . 6945 1
154 . 1 1 17 17 ILE H H 1 8.501 0.016 . 1 . . . . 17 ILE HN . 6945 1
155 . 1 1 17 17 ILE HA H 1 4.257 0.041 . 1 . . . . 17 ILE HA . 6945 1
156 . 1 1 17 17 ILE HB H 1 1.532 0.009 . 1 . . . . 17 ILE HB . 6945 1
157 . 1 1 17 17 ILE HG21 H 1 0.855 0.034 . 1 . . . . 17 ILE QG2 . 6945 1
158 . 1 1 17 17 ILE HG22 H 1 0.855 0.034 . 1 . . . . 17 ILE QG2 . 6945 1
159 . 1 1 17 17 ILE HG23 H 1 0.855 0.034 . 1 . . . . 17 ILE QG2 . 6945 1
160 . 1 1 17 17 ILE HD11 H 1 0.82 0.02 . 1 . . . . 17 ILE QD1 . 6945 1
161 . 1 1 17 17 ILE HD12 H 1 0.82 0.02 . 1 . . . . 17 ILE QD1 . 6945 1
162 . 1 1 17 17 ILE HD13 H 1 0.82 0.02 . 1 . . . . 17 ILE QD1 . 6945 1
163 . 1 1 17 17 ILE C C 13 179.421 0.02 . 1 . . . . 17 ILE CO . 6945 1
164 . 1 1 17 17 ILE CA C 13 66.349 0.02 . 1 . . . . 17 ILE CA . 6945 1
165 . 1 1 17 17 ILE CB C 13 38.236 0.02 . 1 . . . . 17 ILE CB . 6945 1
166 . 1 1 17 17 ILE N N 15 118.335 0.105 . 1 . . . . 17 ILE N . 6945 1
167 . 1 1 18 18 LYS H H 1 7.988 0.016 . 1 . . . . 18 LYS HN . 6945 1
168 . 1 1 18 18 LYS HA H 1 3.774 0.071 . 1 . . . . 18 LYS HA . 6945 1
169 . 1 1 18 18 LYS HB2 H 1 1.828 0.014 . 1 . . . . 18 LYS QB . 6945 1
170 . 1 1 18 18 LYS HB3 H 1 1.828 0.014 . 1 . . . . 18 LYS QB . 6945 1
171 . 1 1 18 18 LYS HG2 H 1 1.384 0.02 . 1 . . . . 18 LYS QG . 6945 1
172 . 1 1 18 18 LYS HG3 H 1 1.384 0.02 . 1 . . . . 18 LYS QG . 6945 1
173 . 1 1 18 18 LYS HE2 H 1 2.7 0.043 . 1 . . . . 18 LYS QE . 6945 1
174 . 1 1 18 18 LYS HE3 H 1 2.7 0.043 . 1 . . . . 18 LYS QE . 6945 1
175 . 1 1 18 18 LYS C C 13 174.018 0.02 . 1 . . . . 18 LYS CO . 6945 1
176 . 1 1 18 18 LYS CA C 13 58.152 0.132 . 1 . . . . 18 LYS CA . 6945 1
177 . 1 1 18 18 LYS CB C 13 32.643 0.126 . 1 . . . . 18 LYS CB . 6945 1
178 . 1 1 18 18 LYS N N 15 127.884 0.368 . 1 . . . . 18 LYS N . 6945 1
179 . 1 1 19 19 GLU H H 1 7.714 0.041 . 1 . . . . 19 GLU HN . 6945 1
180 . 1 1 19 19 GLU HA H 1 3.992 0.036 . 1 . . . . 19 GLU HA . 6945 1
181 . 1 1 19 19 GLU HB2 H 1 2.037 0.029 . 1 . . . . 19 GLU QB . 6945 1
182 . 1 1 19 19 GLU HB3 H 1 2.037 0.029 . 1 . . . . 19 GLU QB . 6945 1
183 . 1 1 19 19 GLU HG2 H 1 2.351 0.02 . 1 . . . . 19 GLU QG . 6945 1
184 . 1 1 19 19 GLU HG3 H 1 2.351 0.02 . 1 . . . . 19 GLU QG . 6945 1
185 . 1 1 19 19 GLU C C 13 174.683 0.02 . 1 . . . . 19 GLU CO . 6945 1
186 . 1 1 19 19 GLU CA C 13 59.303 0.177 . 1 . . . . 19 GLU CA . 6945 1
187 . 1 1 19 19 GLU CB C 13 29.889 0.15 . 1 . . . . 19 GLU CB . 6945 1
188 . 1 1 19 19 GLU CG C 13 36.493 0.02 . 1 . . . . 19 GLU CG . 6945 1
189 . 1 1 19 19 GLU N N 15 118.98 0.097 . 1 . . . . 19 GLU N . 6945 1
190 . 1 1 20 20 LEU H H 1 8.388 0.014 . 1 . . . . 20 LEU HN . 6945 1
191 . 1 1 20 20 LEU HA H 1 4.09 0.052 . 1 . . . . 20 LEU HA . 6945 1
192 . 1 1 20 20 LEU HB2 H 1 1.815 0.021 . 1 . . . . 20 LEU QB . 6945 1
193 . 1 1 20 20 LEU HB3 H 1 1.815 0.021 . 1 . . . . 20 LEU QB . 6945 1
194 . 1 1 20 20 LEU HG H 1 1.282 0.024 . 1 . . . . 20 LEU HG . 6945 1
195 . 1 1 20 20 LEU HD11 H 1 0.733 0.029 . 1 . . . . 20 LEU QD1 . 6945 1
196 . 1 1 20 20 LEU HD12 H 1 0.733 0.029 . 1 . . . . 20 LEU QD1 . 6945 1
197 . 1 1 20 20 LEU HD13 H 1 0.733 0.029 . 1 . . . . 20 LEU QD1 . 6945 1
198 . 1 1 20 20 LEU C C 13 175.033 0.02 . 1 . . . . 20 LEU CO . 6945 1
199 . 1 1 20 20 LEU CA C 13 57.81 0.134 . 1 . . . . 20 LEU CA . 6945 1
200 . 1 1 20 20 LEU CB C 13 41.561 0.088 . 1 . . . . 20 LEU CB . 6945 1
201 . 1 1 20 20 LEU CG C 13 26.812 0.166 . 1 . . . . 20 LEU CG . 6945 1
202 . 1 1 20 20 LEU CD1 C 13 23.113 0.02 . 1 . . . . 20 LEU CD1 . 6945 1
203 . 1 1 20 20 LEU N N 15 117.317 0.098 . 1 . . . . 20 LEU N . 6945 1
204 . 1 1 21 21 LYS H H 1 8.585 0.015 . 1 . . . . 21 LYS HN . 6945 1
205 . 1 1 21 21 LYS HA H 1 4.029 0.018 . 1 . . . . 21 LYS HA . 6945 1
206 . 1 1 21 21 LYS HB2 H 1 1.83 0.01 . 1 . . . . 21 LYS QB . 6945 1
207 . 1 1 21 21 LYS HB3 H 1 1.83 0.01 . 1 . . . . 21 LYS QB . 6945 1
208 . 1 1 21 21 LYS HG2 H 1 1.501 0.02 . 1 . . . . 21 LYS QG . 6945 1
209 . 1 1 21 21 LYS HG3 H 1 1.501 0.02 . 1 . . . . 21 LYS QG . 6945 1
210 . 1 1 21 21 LYS HE2 H 1 2.839 0.013 . 1 . . . . 21 LYS QE . 6945 1
211 . 1 1 21 21 LYS HE3 H 1 2.839 0.013 . 1 . . . . 21 LYS QE . 6945 1
212 . 1 1 21 21 LYS C C 13 173.268 0.02 . 1 . . . . 21 LYS CO . 6945 1
213 . 1 1 21 21 LYS CA C 13 59.831 0.271 . 1 . . . . 21 LYS CA . 6945 1
214 . 1 1 21 21 LYS CB C 13 32.391 0.195 . 1 . . . . 21 LYS CB . 6945 1
215 . 1 1 21 21 LYS CG C 13 26.221 0.02 . 1 . . . . 21 LYS CG . 6945 1
216 . 1 1 21 21 LYS CD C 13 29.675 0.02 . 1 . . . . 21 LYS CD . 6945 1
217 . 1 1 21 21 LYS CE C 13 42.162 0.041 . 1 . . . . 21 LYS CE . 6945 1
218 . 1 1 21 21 LYS N N 15 119.361 0.18 . 1 . . . . 21 LYS N . 6945 1
219 . 1 1 22 22 GLN H H 1 7.638 0.012 . 1 . . . . 22 GLN HN . 6945 1
220 . 1 1 22 22 GLN HA H 1 3.987 0.043 . 1 . . . . 22 GLN HA . 6945 1
221 . 1 1 22 22 GLN HB2 H 1 1.868 0.007 . 1 . . . . 22 GLN QB . 6945 1
222 . 1 1 22 22 GLN HB3 H 1 1.868 0.007 . 1 . . . . 22 GLN QB . 6945 1
223 . 1 1 22 22 GLN HG2 H 1 2.277 0.058 . 1 . . . . 22 GLN QG . 6945 1
224 . 1 1 22 22 GLN HG3 H 1 2.277 0.058 . 1 . . . . 22 GLN QG . 6945 1
225 . 1 1 22 22 GLN HE21 H 1 7.332 0.047 . 1 . . . . 22 GLN HE21 . 6945 1
226 . 1 1 22 22 GLN HE22 H 1 6.712 0.043 . 1 . . . . 22 GLN HE22 . 6945 1
227 . 1 1 22 22 GLN C C 13 176.618 0.02 . 1 . . . . 22 GLN CO . 6945 1
228 . 1 1 22 22 GLN CA C 13 58.01 0.213 . 1 . . . . 22 GLN CA . 6945 1
229 . 1 1 22 22 GLN CB C 13 28.406 0.036 . 1 . . . . 22 GLN CB . 6945 1
230 . 1 1 22 22 GLN CG C 13 33.746 0.02 . 1 . . . . 22 GLN CG . 6945 1
231 . 1 1 22 22 GLN N N 15 118.475 0.122 . 1 . . . . 22 GLN N . 6945 1
232 . 1 1 22 22 GLN NE2 N 15 111.523 0.005 . 1 . . . . 22 GLN NE2 . 6945 1
233 . 1 1 23 23 TYR H H 1 7.515 0.038 . 1 . . . . 23 TYR HN . 6945 1
234 . 1 1 23 23 TYR HA H 1 4.486 0.024 . 1 . . . . 23 TYR HA . 6945 1
235 . 1 1 23 23 TYR HB2 H 1 3.319 0.05 . 1 . . . . 23 TYR HB2 . 6945 1
236 . 1 1 23 23 TYR HB3 H 1 2.654 0.038 . 1 . . . . 23 TYR HB3 . 6945 1
237 . 1 1 23 23 TYR HD1 H 1 7.114 0.017 . 1 . . . . 23 TYR QD . 6945 1
238 . 1 1 23 23 TYR HD2 H 1 7.114 0.017 . 1 . . . . 23 TYR QD . 6945 1
239 . 1 1 23 23 TYR HE1 H 1 6.726 0.101 . 1 . . . . 23 TYR QE . 6945 1
240 . 1 1 23 23 TYR HE2 H 1 6.726 0.101 . 1 . . . . 23 TYR QE . 6945 1
241 . 1 1 23 23 TYR C C 13 177.09 0.02 . 1 . . . . 23 TYR CO . 6945 1
242 . 1 1 23 23 TYR CA C 13 57.944 0.199 . 1 . . . . 23 TYR CA . 6945 1
243 . 1 1 23 23 TYR CB C 13 39.096 0.086 . 1 . . . . 23 TYR CB . 6945 1
244 . 1 1 23 23 TYR N N 15 116.374 0.105 . 1 . . . . 23 TYR N . 6945 1
245 . 1 1 24 24 GLY H H 1 7.864 0.032 . 1 . . . . 24 GLY HN . 6945 1
246 . 1 1 24 24 GLY HA2 H 1 3.932 0.01 . 1 . . . . 24 GLY HA1 . 6945 1
247 . 1 1 24 24 GLY HA3 H 1 3.816 0.002 . 1 . . . . 24 GLY HA2 . 6945 1
248 . 1 1 24 24 GLY C C 13 178.619 0.02 . 1 . . . . 24 GLY CO . 6945 1
249 . 1 1 24 24 GLY CA C 13 46.59 0.098 . 1 . . . . 24 GLY CA . 6945 1
250 . 1 1 24 24 GLY N N 15 107.506 0.141 . 1 . . . . 24 GLY N . 6945 1
251 . 1 1 25 25 ILE H H 1 7.195 0.046 . 1 . . . . 25 ILE HN . 6945 1
252 . 1 1 25 25 ILE HA H 1 3.986 0.006 . 1 . . . . 25 ILE HA . 6945 1
253 . 1 1 25 25 ILE HB H 1 1.768 0.02 . 1 . . . . 25 ILE HB . 6945 1
254 . 1 1 25 25 ILE HG12 H 1 1.295 0.029 . 1 . . . . 25 ILE QG1 . 6945 1
255 . 1 1 25 25 ILE HG13 H 1 1.295 0.029 . 1 . . . . 25 ILE QG1 . 6945 1
256 . 1 1 25 25 ILE HG21 H 1 0.95 0.018 . 1 . . . . 25 ILE QG2 . 6945 1
257 . 1 1 25 25 ILE HG22 H 1 0.95 0.018 . 1 . . . . 25 ILE QG2 . 6945 1
258 . 1 1 25 25 ILE HG23 H 1 0.95 0.018 . 1 . . . . 25 ILE QG2 . 6945 1
259 . 1 1 25 25 ILE HD11 H 1 0.667 0.011 . 1 . . . . 25 ILE QD1 . 6945 1
260 . 1 1 25 25 ILE HD12 H 1 0.667 0.011 . 1 . . . . 25 ILE QD1 . 6945 1
261 . 1 1 25 25 ILE HD13 H 1 0.667 0.011 . 1 . . . . 25 ILE QD1 . 6945 1
262 . 1 1 25 25 ILE C C 13 177.491 0.02 . 1 . . . . 25 ILE CO . 6945 1
263 . 1 1 25 25 ILE CA C 13 60.652 0.163 . 1 . . . . 25 ILE CA . 6945 1
264 . 1 1 25 25 ILE CB C 13 37.888 0.085 . 1 . . . . 25 ILE CB . 6945 1
265 . 1 1 25 25 ILE CG1 C 13 27.403 0.118 . 1 . . . . 25 ILE CG1 . 6945 1
266 . 1 1 25 25 ILE CG2 C 13 19.187 0.054 . 1 . . . . 25 ILE CG2 . 6945 1
267 . 1 1 25 25 ILE CD1 C 13 12.944 0.052 . 1 . . . . 25 ILE CD1 . 6945 1
268 . 1 1 25 25 ILE N N 15 117.904 0.076 . 1 . . . . 25 ILE N . 6945 1
269 . 1 1 26 26 GLY H H 1 8.577 0.06 . 1 . . . . 26 GLY HN . 6945 1
270 . 1 1 26 26 GLY HA2 H 1 4.249 0.066 . 1 . . . . 26 GLY HA1 . 6945 1
271 . 1 1 26 26 GLY HA3 H 1 3.949 0.005 . 1 . . . . 26 GLY HA2 . 6945 1
272 . 1 1 26 26 GLY C C 13 178.846 0.02 . 1 . . . . 26 GLY CO . 6945 1
273 . 1 1 26 26 GLY CA C 13 45.171 0.11 . 1 . . . . 26 GLY CA . 6945 1
274 . 1 1 26 26 GLY N N 15 111.181 0.126 . 1 . . . . 26 GLY N . 6945 1
275 . 1 1 27 27 ASP H H 1 8.425 0.037 . 1 . . . . 27 ASP HN . 6945 1
276 . 1 1 27 27 ASP HA H 1 4.172 0.055 . 1 . . . . 27 ASP HA . 6945 1
277 . 1 1 27 27 ASP HB2 H 1 2.546 0.008 . 1 . . . . 27 ASP QB . 6945 1
278 . 1 1 27 27 ASP HB3 H 1 2.546 0.008 . 1 . . . . 27 ASP QB . 6945 1
279 . 1 1 27 27 ASP C C 13 175.784 0.02 . 1 . . . . 27 ASP CO . 6945 1
280 . 1 1 27 27 ASP CA C 13 57.484 0.19 . 1 . . . . 27 ASP CA . 6945 1
281 . 1 1 27 27 ASP CB C 13 41.474 0.092 . 1 . . . . 27 ASP CB . 6945 1
282 . 1 1 27 27 ASP N N 15 118.791 0.098 . 1 . . . . 27 ASP N . 6945 1
283 . 1 1 28 28 TYR H H 1 8.651 0.02 . 1 . . . . 28 TYR HN . 6945 1
284 . 1 1 28 28 TYR HA H 1 3.92 0.004 . 1 . . . . 28 TYR HA . 6945 1
285 . 1 1 28 28 TYR HB2 H 1 2.997 0.015 . 1 . . . . 28 TYR HB2 . 6945 1
286 . 1 1 28 28 TYR HB3 H 1 2.372 0.025 . 1 . . . . 28 TYR HB3 . 6945 1
287 . 1 1 28 28 TYR HD1 H 1 7.069 0.026 . 1 . . . . 28 TYR QD . 6945 1
288 . 1 1 28 28 TYR HD2 H 1 7.069 0.026 . 1 . . . . 28 TYR QD . 6945 1
289 . 1 1 28 28 TYR HE1 H 1 6.466 0.131 . 1 . . . . 28 TYR QE . 6945 1
290 . 1 1 28 28 TYR HE2 H 1 6.466 0.131 . 1 . . . . 28 TYR QE . 6945 1
291 . 1 1 28 28 TYR C C 13 176.603 0.02 . 1 . . . . 28 TYR CO . 6945 1
292 . 1 1 28 28 TYR CA C 13 61.388 0.158 . 1 . . . . 28 TYR CA . 6945 1
293 . 1 1 28 28 TYR CB C 13 38.697 0.462 . 1 . . . . 28 TYR CB . 6945 1
294 . 1 1 28 28 TYR N N 15 119.688 0.094 . 1 . . . . 28 TYR N . 6945 1
295 . 1 1 29 29 TYR H H 1 7.185 0.027 . 1 . . . . 29 TYR HN . 6945 1
296 . 1 1 29 29 TYR HA H 1 3.931 0.008 . 1 . . . . 29 TYR HA . 6945 1
297 . 1 1 29 29 TYR HB2 H 1 2.813 0.016 . 1 . . . . 29 TYR HB2 . 6945 1
298 . 1 1 29 29 TYR HB3 H 1 1.773 0.009 . 1 . . . . 29 TYR HB3 . 6945 1
299 . 1 1 29 29 TYR HD1 H 1 7.013 0.01 . 1 . . . . 29 TYR QD . 6945 1
300 . 1 1 29 29 TYR HD2 H 1 7.013 0.01 . 1 . . . . 29 TYR QD . 6945 1
301 . 1 1 29 29 TYR HE1 H 1 6.299 0.205 . 1 . . . . 29 TYR QE . 6945 1
302 . 1 1 29 29 TYR HE2 H 1 6.299 0.205 . 1 . . . . 29 TYR QE . 6945 1
303 . 1 1 29 29 TYR C C 13 176.503 0.02 . 1 . . . . 29 TYR CO . 6945 1
304 . 1 1 29 29 TYR CA C 13 60.711 0.158 . 1 . . . . 29 TYR CA . 6945 1
305 . 1 1 29 29 TYR CB C 13 39.282 0.434 . 1 . . . . 29 TYR CB . 6945 1
306 . 1 1 29 29 TYR N N 15 115.27 0.114 . 1 . . . . 29 TYR N . 6945 1
307 . 1 1 30 30 ILE H H 1 7.425 0.029 . 1 . . . . 30 ILE HN . 6945 1
308 . 1 1 30 30 ILE HA H 1 3.34 0.019 . 1 . . . . 30 ILE HA . 6945 1
309 . 1 1 30 30 ILE HB H 1 1.798 0.016 . 1 . . . . 30 ILE HB . 6945 1
310 . 1 1 30 30 ILE HG12 H 1 1.48 0.019 . 1 . . . . 30 ILE QG1 . 6945 1
311 . 1 1 30 30 ILE HG13 H 1 1.48 0.019 . 1 . . . . 30 ILE QG1 . 6945 1
312 . 1 1 30 30 ILE HG21 H 1 0.809 0.022 . 1 . . . . 30 ILE QG2 . 6945 1
313 . 1 1 30 30 ILE HG22 H 1 0.809 0.022 . 1 . . . . 30 ILE QG2 . 6945 1
314 . 1 1 30 30 ILE HG23 H 1 0.809 0.022 . 1 . . . . 30 ILE QG2 . 6945 1
315 . 1 1 30 30 ILE HD11 H 1 0.764 0.014 . 1 . . . . 30 ILE QD1 . 6945 1
316 . 1 1 30 30 ILE HD12 H 1 0.764 0.014 . 1 . . . . 30 ILE QD1 . 6945 1
317 . 1 1 30 30 ILE HD13 H 1 0.764 0.014 . 1 . . . . 30 ILE QD1 . 6945 1
318 . 1 1 30 30 ILE C C 13 175.915 0.02 . 1 . . . . 30 ILE CO . 6945 1
319 . 1 1 30 30 ILE CA C 13 65.358 0.08 . 1 . . . . 30 ILE CA . 6945 1
320 . 1 1 30 30 ILE CB C 13 38.001 0.311 . 1 . . . . 30 ILE CB . 6945 1
321 . 1 1 30 30 ILE CG1 C 13 29.544 0.141 . 1 . . . . 30 ILE CG1 . 6945 1
322 . 1 1 30 30 ILE CG2 C 13 17.728 0.169 . 1 . . . . 30 ILE CG2 . 6945 1
323 . 1 1 30 30 ILE CD1 C 13 10.607 0.02 . 1 . . . . 30 ILE CD1 . 6945 1
324 . 1 1 30 30 ILE N N 15 120.522 0.077 . 1 . . . . 30 ILE N . 6945 1
325 . 1 1 31 31 LYS H H 1 7.941 0.03 . 1 . . . . 31 LYS HN . 6945 1
326 . 1 1 31 31 LYS HA H 1 3.853 0.054 . 1 . . . . 31 LYS HA . 6945 1
327 . 1 1 31 31 LYS HB2 H 1 1.636 0.029 . 1 . . . . 31 LYS QB . 6945 1
328 . 1 1 31 31 LYS HB3 H 1 1.636 0.029 . 1 . . . . 31 LYS QB . 6945 1
329 . 1 1 31 31 LYS HG2 H 1 1.308 0.008 . 1 . . . . 31 LYS QG . 6945 1
330 . 1 1 31 31 LYS HG3 H 1 1.308 0.008 . 1 . . . . 31 LYS QG . 6945 1
331 . 1 1 31 31 LYS HE2 H 1 2.796 0.014 . 1 . . . . 31 LYS QE . 6945 1
332 . 1 1 31 31 LYS HE3 H 1 2.796 0.014 . 1 . . . . 31 LYS QE . 6945 1
333 . 1 1 31 31 LYS C C 13 174.442 0.02 . 1 . . . . 31 LYS CO . 6945 1
334 . 1 1 31 31 LYS CA C 13 59.688 0.257 . 1 . . . . 31 LYS CA . 6945 1
335 . 1 1 31 31 LYS CB C 13 31.938 0.134 . 1 . . . . 31 LYS CB . 6945 1
336 . 1 1 31 31 LYS CG C 13 25.632 0.026 . 1 . . . . 31 LYS CG . 6945 1
337 . 1 1 31 31 LYS CD C 13 29.373 0.02 . 1 . . . . 31 LYS CD . 6945 1
338 . 1 1 31 31 LYS CE C 13 42.097 0.024 . 1 . . . . 31 LYS CE . 6945 1
339 . 1 1 31 31 LYS N N 15 118.817 0.18 . 1 . . . . 31 LYS N . 6945 1
340 . 1 1 32 32 LEU H H 1 7.108 0.092 . 1 . . . . 32 LEU HN . 6945 1
341 . 1 1 32 32 LEU HA H 1 3.774 0.052 . 1 . . . . 32 LEU HA . 6945 1
342 . 1 1 32 32 LEU HB2 H 1 1.782 0.016 . 1 . . . . 32 LEU HB2 . 6945 1
343 . 1 1 32 32 LEU HB3 H 1 1.347 0.008 . 1 . . . . 32 LEU HB3 . 6945 1
344 . 1 1 32 32 LEU HG H 1 1.436 0.03 . 1 . . . . 32 LEU HG . 6945 1
345 . 1 1 32 32 LEU HD11 H 1 0.675 0.03 . 1 . . . . 32 LEU QD1 . 6945 1
346 . 1 1 32 32 LEU HD12 H 1 0.675 0.03 . 1 . . . . 32 LEU QD1 . 6945 1
347 . 1 1 32 32 LEU HD13 H 1 0.675 0.03 . 1 . . . . 32 LEU QD1 . 6945 1
348 . 1 1 32 32 LEU C C 13 173.087 0.02 . 1 . . . . 32 LEU CO . 6945 1
349 . 1 1 32 32 LEU CA C 13 58.02 0.194 . 1 . . . . 32 LEU CA . 6945 1
350 . 1 1 32 32 LEU CB C 13 41.909 0.106 . 1 . . . . 32 LEU CB . 6945 1
351 . 1 1 32 32 LEU CG C 13 26.04 0.296 . 1 . . . . 32 LEU CG . 6945 1
352 . 1 1 32 32 LEU CD1 C 13 22.465 0.112 . 1 . . . . 32 LEU CD1 . 6945 1
353 . 1 1 32 32 LEU N N 15 117.3 0.104 . 1 . . . . 32 LEU N . 6945 1
354 . 1 1 33 33 ILE H H 1 7.723 0.032 . 1 . . . . 33 ILE HN . 6945 1
355 . 1 1 33 33 ILE HA H 1 3.507 0.01 . 1 . . . . 33 ILE HA . 6945 1
356 . 1 1 33 33 ILE HB H 1 2.074 0.058 . 1 . . . . 33 ILE HB . 6945 1
357 . 1 1 33 33 ILE HG12 H 1 1.348 0.016 . 1 . . . . 33 ILE QG1 . 6945 1
358 . 1 1 33 33 ILE HG13 H 1 1.348 0.016 . 1 . . . . 33 ILE QG1 . 6945 1
359 . 1 1 33 33 ILE HG21 H 1 1.176 0.076 . 1 . . . . 33 ILE QG2 . 6945 1
360 . 1 1 33 33 ILE HG22 H 1 1.176 0.076 . 1 . . . . 33 ILE QG2 . 6945 1
361 . 1 1 33 33 ILE HG23 H 1 1.176 0.076 . 1 . . . . 33 ILE QG2 . 6945 1
362 . 1 1 33 33 ILE HD11 H 1 0.787 0.066 . 1 . . . . 33 ILE QD1 . 6945 1
363 . 1 1 33 33 ILE HD12 H 1 0.787 0.066 . 1 . . . . 33 ILE QD1 . 6945 1
364 . 1 1 33 33 ILE HD13 H 1 0.787 0.066 . 1 . . . . 33 ILE QD1 . 6945 1
365 . 1 1 33 33 ILE C C 13 175.345 0.02 . 1 . . . . 33 ILE CO . 6945 1
366 . 1 1 33 33 ILE CA C 13 63.656 0.208 . 1 . . . . 33 ILE CA . 6945 1
367 . 1 1 33 33 ILE CB C 13 36.236 0.078 . 1 . . . . 33 ILE CB . 6945 1
368 . 1 1 33 33 ILE CG1 C 13 28.656 0.026 . 1 . . . . 33 ILE CG1 . 6945 1
369 . 1 1 33 33 ILE CG2 C 13 18.302 0.02 . 1 . . . . 33 ILE CG2 . 6945 1
370 . 1 1 33 33 ILE N N 15 119.145 0.106 . 1 . . . . 33 ILE N . 6945 1
371 . 1 1 34 34 ASN H H 1 8.157 0.027 . 1 . . . . 34 ASN HN . 6945 1
372 . 1 1 34 34 ASN HA H 1 4.384 0.068 . 1 . . . . 34 ASN HA . 6945 1
373 . 1 1 34 34 ASN HB2 H 1 2.643 0.011 . 1 . . . . 34 ASN QB . 6945 1
374 . 1 1 34 34 ASN HB3 H 1 2.643 0.011 . 1 . . . . 34 ASN QB . 6945 1
375 . 1 1 34 34 ASN HD21 H 1 7.545 0.014 . 1 . . . . 34 ASN HD21 . 6945 1
376 . 1 1 34 34 ASN HD22 H 1 7.056 0.009 . 1 . . . . 34 ASN HD22 . 6945 1
377 . 1 1 34 34 ASN C C 13 176.221 0.02 . 1 . . . . 34 ASN CO . 6945 1
378 . 1 1 34 34 ASN CA C 13 55.699 0.168 . 1 . . . . 34 ASN CA . 6945 1
379 . 1 1 34 34 ASN CB C 13 38.437 0.071 . 1 . . . . 34 ASN CB . 6945 1
380 . 1 1 34 34 ASN N N 15 115.7 0.115 . 1 . . . . 34 ASN N . 6945 1
381 . 1 1 34 34 ASN ND2 N 15 112.874 0.041 . 1 . . . . 34 ASN ND2 . 6945 1
382 . 1 1 35 35 ASN H H 1 7.665 0.043 . 1 . . . . 35 ASN HN . 6945 1
383 . 1 1 35 35 ASN HA H 1 4.7 0.086 . 1 . . . . 35 ASN HA . 6945 1
384 . 1 1 35 35 ASN HB2 H 1 2.741 0.048 . 1 . . . . 35 ASN QB . 6945 1
385 . 1 1 35 35 ASN HB3 H 1 2.741 0.048 . 1 . . . . 35 ASN QB . 6945 1
386 . 1 1 35 35 ASN HD21 H 1 7.822 0.009 . 1 . . . . 35 ASN HD21 . 6945 1
387 . 1 1 35 35 ASN HD22 H 1 6.963 0.011 . 1 . . . . 35 ASN HD22 . 6945 1
388 . 1 1 35 35 ASN C C 13 177.961 0.02 . 1 . . . . 35 ASN CO . 6945 1
389 . 1 1 35 35 ASN CA C 13 52.957 0.23 . 1 . . . . 35 ASN CA . 6945 1
390 . 1 1 35 35 ASN CB C 13 39.394 0.125 . 1 . . . . 35 ASN CB . 6945 1
391 . 1 1 35 35 ASN N N 15 116.989 0.105 . 1 . . . . 35 ASN N . 6945 1
392 . 1 1 35 35 ASN ND2 N 15 113.13 0.006 . 1 . . . . 35 ASN ND2 . 6945 1
393 . 1 1 36 36 ALA H H 1 7.49 0.04 . 1 . . . . 36 ALA HN . 6945 1
394 . 1 1 36 36 ALA HA H 1 4.147 0.003 . 1 . . . . 36 ALA HA . 6945 1
395 . 1 1 36 36 ALA HB1 H 1 1.373 0.006 . 1 . . . . 36 ALA QB . 6945 1
396 . 1 1 36 36 ALA HB2 H 1 1.373 0.006 . 1 . . . . 36 ALA QB . 6945 1
397 . 1 1 36 36 ALA HB3 H 1 1.373 0.006 . 1 . . . . 36 ALA QB . 6945 1
398 . 1 1 36 36 ALA C C 13 175.547 0.02 . 1 . . . . 36 ALA CO . 6945 1
399 . 1 1 36 36 ALA CA C 13 53.46 0.133 . 1 . . . . 36 ALA CA . 6945 1
400 . 1 1 36 36 ALA CB C 13 19.51 0.121 . 1 . . . . 36 ALA CB . 6945 1
401 . 1 1 36 36 ALA N N 15 124.671 0.078 . 1 . . . . 36 ALA N . 6945 1
402 . 1 1 37 37 LYS H H 1 8.712 0.052 . 1 . . . . 37 LYS HN . 6945 1
403 . 1 1 37 37 LYS HA H 1 4.287 0.04 . 1 . . . . 37 LYS HA . 6945 1
404 . 1 1 37 37 LYS HB2 H 1 1.948 0.01 . 1 . . . . 37 LYS HB2 . 6945 1
405 . 1 1 37 37 LYS HB3 H 1 1.676 0.029 . 1 . . . . 37 LYS HB3 . 6945 1
406 . 1 1 37 37 LYS HG2 H 1 1.441 0.003 . 1 . . . . 37 LYS QG . 6945 1
407 . 1 1 37 37 LYS HG3 H 1 1.441 0.003 . 1 . . . . 37 LYS QG . 6945 1
408 . 1 1 37 37 LYS HD2 H 1 1.69 0.02 . 1 . . . . 37 LYS QD . 6945 1
409 . 1 1 37 37 LYS HD3 H 1 1.69 0.02 . 1 . . . . 37 LYS QD . 6945 1
410 . 1 1 37 37 LYS HE2 H 1 2.943 0.017 . 1 . . . . 37 LYS QE . 6945 1
411 . 1 1 37 37 LYS HE3 H 1 2.943 0.017 . 1 . . . . 37 LYS QE . 6945 1
412 . 1 1 37 37 LYS C C 13 176.735 0.02 . 1 . . . . 37 LYS CO . 6945 1
413 . 1 1 37 37 LYS CA C 13 56.628 0.272 . 1 . . . . 37 LYS CA . 6945 1
414 . 1 1 37 37 LYS CB C 13 35.187 0.057 . 1 . . . . 37 LYS CB . 6945 1
415 . 1 1 37 37 LYS CG C 13 25.32 0.02 . 1 . . . . 37 LYS CG . 6945 1
416 . 1 1 37 37 LYS CD C 13 28.936 0.02 . 1 . . . . 37 LYS CD . 6945 1
417 . 1 1 37 37 LYS CE C 13 42.355 0.023 . 1 . . . . 37 LYS CE . 6945 1
418 . 1 1 37 37 LYS N N 15 116.47 0.116 . 1 . . . . 37 LYS N . 6945 1
419 . 1 1 38 38 THR H H 1 7.352 0.048 . 1 . . . . 38 THR HN . 6945 1
420 . 1 1 38 38 THR HA H 1 4.754 0.045 . 1 . . . . 38 THR HA . 6945 1
421 . 1 1 38 38 THR HB H 1 4.545 0.02 . 1 . . . . 38 THR HB . 6945 1
422 . 1 1 38 38 THR HG21 H 1 1.11 0.017 . 1 . . . . 38 THR QG2 . 6945 1
423 . 1 1 38 38 THR HG22 H 1 1.11 0.017 . 1 . . . . 38 THR QG2 . 6945 1
424 . 1 1 38 38 THR HG23 H 1 1.11 0.017 . 1 . . . . 38 THR QG2 . 6945 1
425 . 1 1 38 38 THR C C 13 178.967 0.02 . 1 . . . . 38 THR CO . 6945 1
426 . 1 1 38 38 THR CA C 13 58.574 0.253 . 1 . . . . 38 THR CA . 6945 1
427 . 1 1 38 38 THR CB C 13 72.912 0.354 . 1 . . . . 38 THR CB . 6945 1
428 . 1 1 38 38 THR CG2 C 13 22.014 0.04 . 1 . . . . 38 THR CG2 . 6945 1
429 . 1 1 38 38 THR N N 15 105.504 0.143 . 1 . . . . 38 THR N . 6945 1
430 . 1 1 39 39 VAL H H 1 9.18 0.033 . 1 . . . . 39 VAL HN . 6945 1
431 . 1 1 39 39 VAL HA H 1 3.292 0.015 . 1 . . . . 39 VAL HA . 6945 1
432 . 1 1 39 39 VAL HB H 1 1.97 0.032 . 1 . . . . 39 VAL HB . 6945 1
433 . 1 1 39 39 VAL HG11 H 1 0.887 0.015 . 1 . . . . 39 VAL QG1 . 6945 1
434 . 1 1 39 39 VAL HG12 H 1 0.887 0.015 . 1 . . . . 39 VAL QG1 . 6945 1
435 . 1 1 39 39 VAL HG13 H 1 0.887 0.015 . 1 . . . . 39 VAL QG1 . 6945 1
436 . 1 1 39 39 VAL C C 13 175.199 0.02 . 1 . . . . 39 VAL CO . 6945 1
437 . 1 1 39 39 VAL CA C 13 67.387 0.202 . 1 . . . . 39 VAL CA . 6945 1
438 . 1 1 39 39 VAL CB C 13 31.703 0.182 . 1 . . . . 39 VAL CB . 6945 1
439 . 1 1 39 39 VAL CG1 C 13 22.553 0.021 . 1 . . . . 39 VAL CG1 . 6945 1
440 . 1 1 39 39 VAL CG2 C 13 21.596 0.02 . 1 . . . . 39 VAL CG2 . 6945 1
441 . 1 1 39 39 VAL N N 15 123.106 0.144 . 1 . . . . 39 VAL N . 6945 1
442 . 1 1 40 40 GLU H H 1 9.178 0.038 . 1 . . . . 40 GLU HN . 6945 1
443 . 1 1 40 40 GLU HA H 1 3.983 0.009 . 1 . . . . 40 GLU HA . 6945 1
444 . 1 1 40 40 GLU HB2 H 1 1.917 0.013 . 1 . . . . 40 GLU QB . 6945 1
445 . 1 1 40 40 GLU HB3 H 1 1.917 0.013 . 1 . . . . 40 GLU QB . 6945 1
446 . 1 1 40 40 GLU HG2 H 1 2.348 0.046 . 1 . . . . 40 GLU QG . 6945 1
447 . 1 1 40 40 GLU HG3 H 1 2.348 0.046 . 1 . . . . 40 GLU QG . 6945 1
448 . 1 1 40 40 GLU C C 13 174.034 0.02 . 1 . . . . 40 GLU CO . 6945 1
449 . 1 1 40 40 GLU CA C 13 60.162 0.18 . 1 . . . . 40 GLU CA . 6945 1
450 . 1 1 40 40 GLU CB C 13 28.427 0.04 . 1 . . . . 40 GLU CB . 6945 1
451 . 1 1 40 40 GLU CG C 13 36.737 0.145 . 1 . . . . 40 GLU CG . 6945 1
452 . 1 1 40 40 GLU N N 15 120.519 0.088 . 1 . . . . 40 GLU N . 6945 1
453 . 1 1 41 41 GLY H H 1 8.351 0.026 . 1 . . . . 41 GLY HN . 6945 1
454 . 1 1 41 41 GLY HA2 H 1 3.77 0.005 . 1 . . . . 41 GLY HA# . 6945 1
455 . 1 1 41 41 GLY HA3 H 1 3.77 0.005 . 1 . . . . 41 GLY HA# . 6945 1
456 . 1 1 41 41 GLY C C 13 176.881 0.02 . 1 . . . . 41 GLY CO . 6945 1
457 . 1 1 41 41 GLY CA C 13 46.557 0.125 . 1 . . . . 41 GLY CA . 6945 1
458 . 1 1 41 41 GLY N N 15 110.285 0.127 . 1 . . . . 41 GLY N . 6945 1
459 . 1 1 42 42 VAL H H 1 7.886 0.032 . 1 . . . . 42 VAL HN . 6945 1
460 . 1 1 42 42 VAL HA H 1 3.819 0.047 . 1 . . . . 42 VAL HA . 6945 1
461 . 1 1 42 42 VAL HB H 1 2.257 0.046 . 1 . . . . 42 VAL HB . 6945 1
462 . 1 1 42 42 VAL HG11 H 1 0.806 0.034 . 1 . . . . 42 VAL QG1 . 6945 1
463 . 1 1 42 42 VAL HG12 H 1 0.806 0.034 . 1 . . . . 42 VAL QG1 . 6945 1
464 . 1 1 42 42 VAL HG13 H 1 0.806 0.034 . 1 . . . . 42 VAL QG1 . 6945 1
465 . 1 1 42 42 VAL C C 13 176.658 0.02 . 1 . . . . 42 VAL CO . 6945 1
466 . 1 1 42 42 VAL CA C 13 67.468 0.032 . 1 . . . . 42 VAL CA . 6945 1
467 . 1 1 42 42 VAL CB C 13 31.86 0.1 . 1 . . . . 42 VAL CB . 6945 1
468 . 1 1 42 42 VAL CG1 C 13 25.112 0.04 . 1 . . . . 42 VAL CG1 . 6945 1
469 . 1 1 42 42 VAL CG2 C 13 22.153 0.02 . 1 . . . . 42 VAL CG2 . 6945 1
470 . 1 1 42 42 VAL N N 15 123.101 0.064 . 1 . . . . 42 VAL N . 6945 1
471 . 1 1 43 43 GLU H H 1 7.921 0.034 . 1 . . . . 43 GLU HN . 6945 1
472 . 1 1 43 43 GLU HA H 1 3.831 0.009 . 1 . . . . 43 GLU HA . 6945 1
473 . 1 1 43 43 GLU HB2 H 1 1.97 0.032 . 1 . . . . 43 GLU QB . 6945 1
474 . 1 1 43 43 GLU HB3 H 1 1.97 0.032 . 1 . . . . 43 GLU QB . 6945 1
475 . 1 1 43 43 GLU HG2 H 1 2.193 0.012 . 1 . . . . 43 GLU QG . 6945 1
476 . 1 1 43 43 GLU HG3 H 1 2.193 0.012 . 1 . . . . 43 GLU QG . 6945 1
477 . 1 1 43 43 GLU C C 13 174.678 0.02 . 1 . . . . 43 GLU CO . 6945 1
478 . 1 1 43 43 GLU CA C 13 59.563 0.259 . 1 . . . . 43 GLU CA . 6945 1
479 . 1 1 43 43 GLU CB C 13 29.423 0.024 . 1 . . . . 43 GLU CB . 6945 1
480 . 1 1 43 43 GLU CG C 13 36.003 0.144 . 1 . . . . 43 GLU CG . 6945 1
481 . 1 1 43 43 GLU N N 15 118.686 0.242 . 1 . . . . 43 GLU N . 6945 1
482 . 1 1 44 44 SER H H 1 8.416 0.023 . 1 . . . . 44 SER HN . 6945 1
483 . 1 1 44 44 SER HA H 1 4.136 0.011 . 1 . . . . 44 SER HA . 6945 1
484 . 1 1 44 44 SER HB2 H 1 3.865 0.005 . 1 . . . . 44 SER QB . 6945 1
485 . 1 1 44 44 SER HB3 H 1 3.865 0.005 . 1 . . . . 44 SER QB . 6945 1
486 . 1 1 44 44 SER C C 13 175.806 0.02 . 1 . . . . 44 SER CO . 6945 1
487 . 1 1 44 44 SER CA C 13 61.667 0.081 . 1 . . . . 44 SER CA . 6945 1
488 . 1 1 44 44 SER CB C 13 62.679 0.166 . 1 . . . . 44 SER CB . 6945 1
489 . 1 1 44 44 SER N N 15 113.679 0.115 . 1 . . . . 44 SER N . 6945 1
490 . 1 1 45 45 LEU H H 1 7.802 0.072 . 1 . . . . 45 LEU HN . 6945 1
491 . 1 1 45 45 LEU HA H 1 4.074 0.012 . 1 . . . . 45 LEU HA . 6945 1
492 . 1 1 45 45 LEU HB2 H 1 1.78 0.008 . 1 . . . . 45 LEU QB . 6945 1
493 . 1 1 45 45 LEU HB3 H 1 1.78 0.008 . 1 . . . . 45 LEU QB . 6945 1
494 . 1 1 45 45 LEU HG H 1 1.261 0.042 . 1 . . . . 45 LEU HG . 6945 1
495 . 1 1 45 45 LEU HD11 H 1 0.752 0.026 . 1 . . . . 45 LEU QD1 . 6945 1
496 . 1 1 45 45 LEU HD12 H 1 0.752 0.026 . 1 . . . . 45 LEU QD1 . 6945 1
497 . 1 1 45 45 LEU HD13 H 1 0.752 0.026 . 1 . . . . 45 LEU QD1 . 6945 1
498 . 1 1 45 45 LEU C C 13 173.429 0.02 . 1 . . . . 45 LEU CO . 6945 1
499 . 1 1 45 45 LEU CA C 13 57.848 0.196 . 1 . . . . 45 LEU CA . 6945 1
500 . 1 1 45 45 LEU CB C 13 42.691 0.1 . 1 . . . . 45 LEU CB . 6945 1
501 . 1 1 45 45 LEU CG C 13 27.284 0.02 . 1 . . . . 45 LEU CG . 6945 1
502 . 1 1 45 45 LEU CD1 C 13 25.088 0.037 . 1 . . . . 45 LEU CD1 . 6945 1
503 . 1 1 45 45 LEU N N 15 122.996 0.078 . 1 . . . . 45 LEU N . 6945 1
504 . 1 1 46 46 LYS H H 1 8.568 0.037 . 1 . . . . 46 LYS HN . 6945 1
505 . 1 1 46 46 LYS HA H 1 3.606 0.015 . 1 . . . . 46 LYS HA . 6945 1
506 . 1 1 46 46 LYS HB2 H 1 1.879 0.022 . 1 . . . . 46 LYS HB2 . 6945 1
507 . 1 1 46 46 LYS HB3 H 1 1.653 0.012 . 1 . . . . 46 LYS HB3 . 6945 1
508 . 1 1 46 46 LYS HG2 H 1 1.204 0.008 . 1 . . . . 46 LYS HG1 . 6945 1
509 . 1 1 46 46 LYS HG3 H 1 1.38 0.015 . 1 . . . . 46 LYS HG2 . 6945 1
510 . 1 1 46 46 LYS HD2 H 1 1.673 0.017 . 1 . . . . 46 LYS QD . 6945 1
511 . 1 1 46 46 LYS HD3 H 1 1.673 0.017 . 1 . . . . 46 LYS QD . 6945 1
512 . 1 1 46 46 LYS HE2 H 1 2.732 0.055 . 1 . . . . 46 LYS QE . 6945 1
513 . 1 1 46 46 LYS HE3 H 1 2.732 0.055 . 1 . . . . 46 LYS QE . 6945 1
514 . 1 1 46 46 LYS C C 13 175.784 0.02 . 1 . . . . 46 LYS CO . 6945 1
515 . 1 1 46 46 LYS CA C 13 60.6 0.197 . 1 . . . . 46 LYS CA . 6945 1
516 . 1 1 46 46 LYS CB C 13 31.689 0.18 . 1 . . . . 46 LYS CB . 6945 1
517 . 1 1 46 46 LYS CG C 13 24.299 0.022 . 1 . . . . 46 LYS CG . 6945 1
518 . 1 1 46 46 LYS CD C 13 28.881 0.002 . 1 . . . . 46 LYS CD . 6945 1
519 . 1 1 46 46 LYS CE C 13 41.67 0.02 . 1 . . . . 46 LYS CE . 6945 1
520 . 1 1 46 46 LYS N N 15 119.209 0.112 . 1 . . . . 46 LYS N . 6945 1
521 . 1 1 47 47 ASN H H 1 8.077 0.04 . 1 . . . . 47 ASN HN . 6945 1
522 . 1 1 47 47 ASN HA H 1 4.311 0.06 . 1 . . . . 47 ASN HA . 6945 1
523 . 1 1 47 47 ASN HB2 H 1 2.667 0.042 . 1 . . . . 47 ASN QB . 6945 1
524 . 1 1 47 47 ASN HB3 H 1 2.667 0.042 . 1 . . . . 47 ASN QB . 6945 1
525 . 1 1 47 47 ASN HD21 H 1 7.532 0.007 . 1 . . . . 47 ASN HD21 . 6945 1
526 . 1 1 47 47 ASN HD22 H 1 6.859 0.013 . 1 . . . . 47 ASN HD22 . 6945 1
527 . 1 1 47 47 ASN C C 13 172.946 0.02 . 1 . . . . 47 ASN CO . 6945 1
528 . 1 1 47 47 ASN CA C 13 56.448 0.153 . 1 . . . . 47 ASN CA . 6945 1
529 . 1 1 47 47 ASN CB C 13 38.385 0.089 . 1 . . . . 47 ASN CB . 6945 1
530 . 1 1 47 47 ASN N N 15 114.942 0.129 . 1 . . . . 47 ASN N . 6945 1
531 . 1 1 47 47 ASN ND2 N 15 112.009 0 . 1 . . . . 47 ASN ND2 . 6945 1
532 . 1 1 48 48 GLU H H 1 8.042 0.013 . 1 . . . . 48 GLU HN . 6945 1
533 . 1 1 48 48 GLU HA H 1 3.849 0.016 . 1 . . . . 48 GLU HA . 6945 1
534 . 1 1 48 48 GLU HB2 H 1 2.096 0.013 . 1 . . . . 48 GLU QB . 6945 1
535 . 1 1 48 48 GLU HB3 H 1 2.096 0.013 . 1 . . . . 48 GLU QB . 6945 1
536 . 1 1 48 48 GLU HG2 H 1 2.286 0.013 . 1 . . . . 48 GLU QG . 6945 1
537 . 1 1 48 48 GLU HG3 H 1 2.286 0.013 . 1 . . . . 48 GLU QG . 6945 1
538 . 1 1 48 48 GLU C C 13 174.027 0.02 . 1 . . . . 48 GLU CO . 6945 1
539 . 1 1 48 48 GLU CA C 13 59.312 0.154 . 1 . . . . 48 GLU CA . 6945 1
540 . 1 1 48 48 GLU CB C 13 29.73 0.079 . 1 . . . . 48 GLU CB . 6945 1
541 . 1 1 48 48 GLU CG C 13 36.346 0.02 . 1 . . . . 48 GLU CG . 6945 1
542 . 1 1 48 48 GLU N N 15 120.868 0.113 . 1 . . . . 48 GLU N . 6945 1
543 . 1 1 49 49 ILE H H 1 8.286 0.029 . 1 . . . . 49 ILE HN . 6945 1
544 . 1 1 49 49 ILE HA H 1 3.425 0.042 . 1 . . . . 49 ILE HA . 6945 1
545 . 1 1 49 49 ILE HB H 1 1.64 0.008 . 1 . . . . 49 ILE HB . 6945 1
546 . 1 1 49 49 ILE HG12 H 1 1.131 0.075 . 1 . . . . 49 ILE QG1 . 6945 1
547 . 1 1 49 49 ILE HG13 H 1 1.131 0.075 . 1 . . . . 49 ILE QG1 . 6945 1
548 . 1 1 49 49 ILE HD11 H 1 0.625 0.017 . 1 . . . . 49 ILE QD1 . 6945 1
549 . 1 1 49 49 ILE HD12 H 1 0.625 0.017 . 1 . . . . 49 ILE QD1 . 6945 1
550 . 1 1 49 49 ILE HD13 H 1 0.625 0.017 . 1 . . . . 49 ILE QD1 . 6945 1
551 . 1 1 49 49 ILE C C 13 175.969 0.02 . 1 . . . . 49 ILE CO . 6945 1
552 . 1 1 49 49 ILE CA C 13 64.652 0.163 . 1 . . . . 49 ILE CA . 6945 1
553 . 1 1 49 49 ILE CB C 13 38.219 0.077 . 1 . . . . 49 ILE CB . 6945 1
554 . 1 1 49 49 ILE CG1 C 13 30.798 0.02 . 1 . . . . 49 ILE CG1 . 6945 1
555 . 1 1 49 49 ILE CG2 C 13 18.219 0.02 . 1 . . . . 49 ILE CG2 . 6945 1
556 . 1 1 49 49 ILE CD1 C 13 15.232 0.012 . 1 . . . . 49 ILE CD1 . 6945 1
557 . 1 1 49 49 ILE N N 15 120.866 0.092 . 1 . . . . 49 ILE N . 6945 1
558 . 1 1 50 50 LEU H H 1 7.924 0.034 . 1 . . . . 50 LEU HN . 6945 1
559 . 1 1 50 50 LEU HA H 1 3.718 0.027 . 1 . . . . 50 LEU HA . 6945 1
560 . 1 1 50 50 LEU HB2 H 1 1.646 0.024 . 1 . . . . 50 LEU HB2 . 6945 1
561 . 1 1 50 50 LEU HB3 H 1 1.212 0.004 . 1 . . . . 50 LEU HB3 . 6945 1
562 . 1 1 50 50 LEU HG H 1 1.215 0.003 . 1 . . . . 50 LEU HG . 6945 1
563 . 1 1 50 50 LEU HD11 H 1 0.664 0.016 . 1 . . . . 50 LEU QD1 . 6945 1
564 . 1 1 50 50 LEU HD12 H 1 0.664 0.016 . 1 . . . . 50 LEU QD1 . 6945 1
565 . 1 1 50 50 LEU HD13 H 1 0.664 0.016 . 1 . . . . 50 LEU QD1 . 6945 1
566 . 1 1 50 50 LEU HD21 H 1 0.401 0.015 . 1 . . . . 50 LEU QD2 . 6945 1
567 . 1 1 50 50 LEU HD22 H 1 0.401 0.015 . 1 . . . . 50 LEU QD2 . 6945 1
568 . 1 1 50 50 LEU HD23 H 1 0.401 0.015 . 1 . . . . 50 LEU QD2 . 6945 1
569 . 1 1 50 50 LEU C C 13 174.082 0.02 . 1 . . . . 50 LEU CO . 6945 1
570 . 1 1 50 50 LEU CA C 13 57.209 0.141 . 1 . . . . 50 LEU CA . 6945 1
571 . 1 1 50 50 LEU CB C 13 41.602 0.064 . 1 . . . . 50 LEU CB . 6945 1
572 . 1 1 50 50 LEU CG C 13 25.693 0.091 . 1 . . . . 50 LEU CG . 6945 1
573 . 1 1 50 50 LEU CD1 C 13 23.287 0.139 . 1 . . . . 50 LEU CD1 . 6945 1
574 . 1 1 50 50 LEU CD2 C 13 23.271 0.097 . 1 . . . . 50 LEU CD2 . 6945 1
575 . 1 1 50 50 LEU N N 15 117.405 0.137 . 1 . . . . 50 LEU N . 6945 1
576 . 1 1 51 51 LYS H H 1 7.642 0.051 . 1 . . . . 51 LYS HN . 6945 1
577 . 1 1 51 51 LYS HA H 1 3.952 0.009 . 1 . . . . 51 LYS HA . 6945 1
578 . 1 1 51 51 LYS HB2 H 1 1.756 0.015 . 1 . . . . 51 LYS QB . 6945 1
579 . 1 1 51 51 LYS HB3 H 1 1.756 0.015 . 1 . . . . 51 LYS QB . 6945 1
580 . 1 1 51 51 LYS HG2 H 1 1.39 0.012 . 1 . . . . 51 LYS QG . 6945 1
581 . 1 1 51 51 LYS HG3 H 1 1.39 0.012 . 1 . . . . 51 LYS QG . 6945 1
582 . 1 1 51 51 LYS HD2 H 1 1.568 0.034 . 1 . . . . 51 LYS QD . 6945 1
583 . 1 1 51 51 LYS HD3 H 1 1.568 0.034 . 1 . . . . 51 LYS QD . 6945 1
584 . 1 1 51 51 LYS HE2 H 1 2.835 0.01 . 1 . . . . 51 LYS QE . 6945 1
585 . 1 1 51 51 LYS HE3 H 1 2.835 0.01 . 1 . . . . 51 LYS QE . 6945 1
586 . 1 1 51 51 LYS C C 13 175.98 0.02 . 1 . . . . 51 LYS CO . 6945 1
587 . 1 1 51 51 LYS CA C 13 58.028 0.237 . 1 . . . . 51 LYS CA . 6945 1
588 . 1 1 51 51 LYS CB C 13 32.523 0.038 . 1 . . . . 51 LYS CB . 6945 1
589 . 1 1 51 51 LYS CG C 13 25.386 0.194 . 1 . . . . 51 LYS CG . 6945 1
590 . 1 1 51 51 LYS CD C 13 29.481 0.089 . 1 . . . . 51 LYS CD . 6945 1
591 . 1 1 51 51 LYS CE C 13 42.166 0.045 . 1 . . . . 51 LYS CE . 6945 1
592 . 1 1 51 51 LYS N N 15 117.571 0.099 . 1 . . . . 51 LYS N . 6945 1
593 . 1 1 52 52 ALA H H 1 7.37 0.03 . 1 . . . . 52 ALA HN . 6945 1
594 . 1 1 52 52 ALA HA H 1 4.249 0.013 . 1 . . . . 52 ALA HA . 6945 1
595 . 1 1 52 52 ALA HB1 H 1 1.318 0.013 . 1 . . . . 52 ALA QB . 6945 1
596 . 1 1 52 52 ALA HB2 H 1 1.318 0.013 . 1 . . . . 52 ALA QB . 6945 1
597 . 1 1 52 52 ALA HB3 H 1 1.318 0.013 . 1 . . . . 52 ALA QB . 6945 1
598 . 1 1 52 52 ALA C C 13 175.979 0.02 . 1 . . . . 52 ALA CO . 6945 1
599 . 1 1 52 52 ALA CA C 13 52.183 0.181 . 1 . . . . 52 ALA CA . 6945 1
600 . 1 1 52 52 ALA CB C 13 19.424 0.052 . 1 . . . . 52 ALA CB . 6945 1
601 . 1 1 52 52 ALA N N 15 120.5 0.103 . 1 . . . . 52 ALA N . 6945 1
602 . 1 1 53 53 LEU H H 1 7.482 0.017 . 1 . . . . 53 LEU HN . 6945 1
603 . 1 1 53 53 LEU HD11 H 1 0.622 0.02 . 1 . . . . 53 LEU QD1 . 6945 1
604 . 1 1 53 53 LEU HD12 H 1 0.622 0.02 . 1 . . . . 53 LEU QD1 . 6945 1
605 . 1 1 53 53 LEU HD13 H 1 0.622 0.02 . 1 . . . . 53 LEU QD1 . 6945 1
606 . 1 1 53 53 LEU HD21 H 1 0.404 0.02 . 1 . . . . 53 LEU QD2 . 6945 1
607 . 1 1 53 53 LEU HD22 H 1 0.404 0.02 . 1 . . . . 53 LEU QD2 . 6945 1
608 . 1 1 53 53 LEU HD23 H 1 0.404 0.02 . 1 . . . . 53 LEU QD2 . 6945 1
609 . 1 1 53 53 LEU CA C 13 53.785 0.02 . 1 . . . . 53 LEU CA . 6945 1
610 . 1 1 53 53 LEU CB C 13 41.196 0.02 . 1 . . . . 53 LEU CB . 6945 1
611 . 1 1 53 53 LEU N N 15 121.153 0.098 . 1 . . . . 53 LEU N . 6945 1
612 . 1 1 54 54 PRO C C 13 176.174 0.02 . 1 . . . . 54 PRO CO . 6945 1
613 . 1 1 54 54 PRO CA C 13 62.973 0.308 . 1 . . . . 54 PRO CA . 6945 1
614 . 1 1 54 54 PRO CB C 13 32.085 0.095 . 1 . . . . 54 PRO CB . 6945 1
615 . 1 1 55 55 THR H H 1 8.32 0.01 . 1 . . . . 55 THR HN . 6945 1
616 . 1 1 55 55 THR HA H 1 4.205 0.028 . 1 . . . . 55 THR HA . 6945 1
617 . 1 1 55 55 THR HB H 1 4.315 0.077 . 1 . . . . 55 THR HB . 6945 1
618 . 1 1 55 55 THR HG21 H 1 1.098 0.004 . 1 . . . . 55 THR QG2 . 6945 1
619 . 1 1 55 55 THR HG22 H 1 1.098 0.004 . 1 . . . . 55 THR QG2 . 6945 1
620 . 1 1 55 55 THR HG23 H 1 1.098 0.004 . 1 . . . . 55 THR QG2 . 6945 1
621 . 1 1 55 55 THR C C 13 179.405 0.02 . 1 . . . . 55 THR CO . 6945 1
622 . 1 1 55 55 THR CA C 13 61.575 0.233 . 1 . . . . 55 THR CA . 6945 1
623 . 1 1 55 55 THR CB C 13 69.823 0.291 . 1 . . . . 55 THR CB . 6945 1
624 . 1 1 55 55 THR CG2 C 13 21.82 0.008 . 1 . . . . 55 THR CG2 . 6945 1
625 . 1 1 55 55 THR N N 15 114.232 0.113 . 1 . . . . 55 THR N . 6945 1
626 . 1 1 56 56 GLU H H 1 7.952 0.01 . 1 . . . . 56 GLU HN . 6945 1
627 . 1 1 56 56 GLU CA C 13 58.077 0.02 . 1 . . . . 56 GLU CA . 6945 1
628 . 1 1 56 56 GLU CB C 13 31.359 0.02 . 1 . . . . 56 GLU CB . 6945 1
629 . 1 1 56 56 GLU N N 15 127.296 0.078 . 1 . . . . 56 GLU N . 6945 1
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