Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 18017
_Assigned_chem_shift_list.ID 1
_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 $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 18017 1
2 '3D CBCA(CO)NH' . . . 18017 1
3 '3D C(CO)NH' . . . 18017 1
4 '3D HNCO' . . . 18017 1
5 '3D H(CCO)NH' . . . 18017 1
6 '3D HNCACB' . . . 18017 1
7 '3D HBHA(CO)NH' . . . 18017 1
8 '3D 1H-15N NOESY' . . . 18017 1
9 '2D 1H-13C HSQC' . . . 18017 1
10 '3D HCCH-COSY' . . . 18017 1
11 '3D HCCH-TOCSY' . . . 18017 1
12 '3D 1H-13C NOESY' . . . 18017 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 9 9 MET H H 1 8.419 0.002 . 1 . . . A 9 MET H . 18017 1
2 . 1 1 9 9 MET HA H 1 4.547 0.003 . 1 . . . A 9 MET HA . 18017 1
3 . 1 1 9 9 MET HB2 H 1 1.927 0.076 . 2 . . . A 9 MET HB2 . 18017 1
4 . 1 1 9 9 MET HB3 H 1 2.229 0.121 . 2 . . . A 9 MET HB3 . 18017 1
5 . 1 1 9 9 MET HG2 H 1 2.267 0.001 . 2 . . . A 9 MET HG2 . 18017 1
6 . 1 1 9 9 MET HG3 H 1 2.350 0.002 . 2 . . . A 9 MET HG3 . 18017 1
7 . 1 1 9 9 MET HE1 H 1 1.684 0.004 . 1 . . . A 9 MET HE1 . 18017 1
8 . 1 1 9 9 MET HE2 H 1 1.684 0.004 . 1 . . . A 9 MET HE2 . 18017 1
9 . 1 1 9 9 MET HE3 H 1 1.684 0.004 . 1 . . . A 9 MET HE3 . 18017 1
10 . 1 1 9 9 MET C C 13 174.609 0.156 . 1 . . . A 9 MET C . 18017 1
11 . 1 1 9 9 MET CA C 13 55.517 0.229 . 1 . . . A 9 MET CA . 18017 1
12 . 1 1 9 9 MET CB C 13 31.700 0.243 . 1 . . . A 9 MET CB . 18017 1
13 . 1 1 9 9 MET CG C 13 31.978 0.035 . 1 . . . A 9 MET CG . 18017 1
14 . 1 1 9 9 MET CE C 13 16.381 0.020 . 1 . . . A 9 MET CE . 18017 1
15 . 1 1 9 9 MET N N 15 121.271 0.022 . 1 . . . A 9 MET N . 18017 1
16 . 1 1 10 10 ASP H H 1 7.942 0.002 . 1 . . . A 10 ASP H . 18017 1
17 . 1 1 10 10 ASP HA H 1 4.451 0.008 . 1 . . . A 10 ASP HA . 18017 1
18 . 1 1 10 10 ASP HB2 H 1 2.169 0.003 . 2 . . . A 10 ASP HB2 . 18017 1
19 . 1 1 10 10 ASP HB3 H 1 3.115 0.005 . 2 . . . A 10 ASP HB3 . 18017 1
20 . 1 1 10 10 ASP C C 13 174.682 0.156 . 1 . . . A 10 ASP C . 18017 1
21 . 1 1 10 10 ASP CA C 13 53.247 0.097 . 1 . . . A 10 ASP CA . 18017 1
22 . 1 1 10 10 ASP CB C 13 40.774 0.028 . 1 . . . A 10 ASP CB . 18017 1
23 . 1 1 10 10 ASP N N 15 117.304 0.039 . 1 . . . A 10 ASP N . 18017 1
24 . 1 1 11 11 THR H H 1 7.761 0.002 . 1 . . . A 11 THR H . 18017 1
25 . 1 1 11 11 THR HA H 1 5.468 0.005 . 1 . . . A 11 THR HA . 18017 1
26 . 1 1 11 11 THR HB H 1 4.047 0.007 . 1 . . . A 11 THR HB . 18017 1
27 . 1 1 11 11 THR HG21 H 1 1.140 0.004 . 1 . . . A 11 THR HG21 . 18017 1
28 . 1 1 11 11 THR HG22 H 1 1.140 0.004 . 1 . . . A 11 THR HG22 . 18017 1
29 . 1 1 11 11 THR HG23 H 1 1.140 0.004 . 1 . . . A 11 THR HG23 . 18017 1
30 . 1 1 11 11 THR C C 13 173.587 0.156 . 1 . . . A 11 THR C . 18017 1
31 . 1 1 11 11 THR CA C 13 61.643 0.100 . 1 . . . A 11 THR CA . 18017 1
32 . 1 1 11 11 THR CB C 13 71.689 0.031 . 1 . . . A 11 THR CB . 18017 1
33 . 1 1 11 11 THR CG2 C 13 21.045 0.053 . 1 . . . A 11 THR CG2 . 18017 1
34 . 1 1 11 11 THR N N 15 114.819 0.045 . 1 . . . A 11 THR N . 18017 1
35 . 1 1 12 12 ILE H H 1 9.118 0.001 . 1 . . . A 12 ILE H . 18017 1
36 . 1 1 12 12 ILE HA H 1 4.938 0.005 . 1 . . . A 12 ILE HA . 18017 1
37 . 1 1 12 12 ILE HB H 1 1.818 0.005 . 1 . . . A 12 ILE HB . 18017 1
38 . 1 1 12 12 ILE HG12 H 1 1.070 0.004 . 2 . . . A 12 ILE HG12 . 18017 1
39 . 1 1 12 12 ILE HG13 H 1 1.356 0.004 . 2 . . . A 12 ILE HG13 . 18017 1
40 . 1 1 12 12 ILE HG21 H 1 0.700 0.005 . 1 . . . A 12 ILE HG21 . 18017 1
41 . 1 1 12 12 ILE HG22 H 1 0.700 0.005 . 1 . . . A 12 ILE HG22 . 18017 1
42 . 1 1 12 12 ILE HG23 H 1 0.700 0.005 . 1 . . . A 12 ILE HG23 . 18017 1
43 . 1 1 12 12 ILE HD11 H 1 0.644 0.004 . 1 . . . A 12 ILE HD11 . 18017 1
44 . 1 1 12 12 ILE HD12 H 1 0.644 0.004 . 1 . . . A 12 ILE HD12 . 18017 1
45 . 1 1 12 12 ILE HD13 H 1 0.644 0.004 . 1 . . . A 12 ILE HD13 . 18017 1
46 . 1 1 12 12 ILE C C 13 173.746 0.156 . 1 . . . A 12 ILE C . 18017 1
47 . 1 1 12 12 ILE CA C 13 59.086 0.095 . 1 . . . A 12 ILE CA . 18017 1
48 . 1 1 12 12 ILE CB C 13 41.001 0.084 . 1 . . . A 12 ILE CB . 18017 1
49 . 1 1 12 12 ILE CG1 C 13 27.108 0.058 . 1 . . . A 12 ILE CG1 . 18017 1
50 . 1 1 12 12 ILE CG2 C 13 17.579 0.015 . 1 . . . A 12 ILE CG2 . 18017 1
51 . 1 1 12 12 ILE CD1 C 13 13.870 0.131 . 1 . . . A 12 ILE CD1 . 18017 1
52 . 1 1 12 12 ILE N N 15 123.626 0.014 . 1 . . . A 12 ILE N . 18017 1
53 . 1 1 13 13 ILE H H 1 9.259 0.003 . 1 . . . A 13 ILE H . 18017 1
54 . 1 1 13 13 ILE HA H 1 5.166 0.005 . 1 . . . A 13 ILE HA . 18017 1
55 . 1 1 13 13 ILE HB H 1 1.437 0.004 . 1 . . . A 13 ILE HB . 18017 1
56 . 1 1 13 13 ILE HG12 H 1 0.656 0.002 . 2 . . . A 13 ILE HG12 . 18017 1
57 . 1 1 13 13 ILE HG13 H 1 1.179 0.004 . 2 . . . A 13 ILE HG13 . 18017 1
58 . 1 1 13 13 ILE HG21 H 1 0.654 0.005 . 1 . . . A 13 ILE HG21 . 18017 1
59 . 1 1 13 13 ILE HG22 H 1 0.654 0.005 . 1 . . . A 13 ILE HG22 . 18017 1
60 . 1 1 13 13 ILE HG23 H 1 0.654 0.005 . 1 . . . A 13 ILE HG23 . 18017 1
61 . 1 1 13 13 ILE HD11 H 1 0.515 0.002 . 1 . . . A 13 ILE HD11 . 18017 1
62 . 1 1 13 13 ILE HD12 H 1 0.515 0.002 . 1 . . . A 13 ILE HD12 . 18017 1
63 . 1 1 13 13 ILE HD13 H 1 0.515 0.002 . 1 . . . A 13 ILE HD13 . 18017 1
64 . 1 1 13 13 ILE C C 13 172.943 0.156 . 1 . . . A 13 ILE C . 18017 1
65 . 1 1 13 13 ILE CA C 13 58.488 0.115 . 1 . . . A 13 ILE CA . 18017 1
66 . 1 1 13 13 ILE CB C 13 41.991 0.071 . 1 . . . A 13 ILE CB . 18017 1
67 . 1 1 13 13 ILE CG1 C 13 28.551 0.073 . 1 . . . A 13 ILE CG1 . 18017 1
68 . 1 1 13 13 ILE CG2 C 13 15.514 0.039 . 1 . . . A 13 ILE CG2 . 18017 1
69 . 1 1 13 13 ILE CD1 C 13 13.914 0.045 . 1 . . . A 13 ILE CD1 . 18017 1
70 . 1 1 13 13 ILE N N 15 123.263 0.017 . 1 . . . A 13 ILE N . 18017 1
71 . 1 1 14 14 LEU H H 1 8.827 0.002 . 1 . . . A 14 LEU H . 18017 1
72 . 1 1 14 14 LEU HA H 1 5.174 0.005 . 1 . . . A 14 LEU HA . 18017 1
73 . 1 1 14 14 LEU HB2 H 1 1.217 0.005 . 2 . . . A 14 LEU HB2 . 18017 1
74 . 1 1 14 14 LEU HB3 H 1 1.552 0.004 . 2 . . . A 14 LEU HB3 . 18017 1
75 . 1 1 14 14 LEU HG H 1 1.549 0.003 . 1 . . . A 14 LEU HG . 18017 1
76 . 1 1 14 14 LEU HD11 H 1 0.631 0.004 . 1 . . . A 14 LEU HD11 . 18017 1
77 . 1 1 14 14 LEU HD12 H 1 0.631 0.004 . 1 . . . A 14 LEU HD12 . 18017 1
78 . 1 1 14 14 LEU HD13 H 1 0.631 0.004 . 1 . . . A 14 LEU HD13 . 18017 1
79 . 1 1 14 14 LEU HD21 H 1 0.644 0.002 . 1 . . . A 14 LEU HD21 . 18017 1
80 . 1 1 14 14 LEU HD22 H 1 0.644 0.002 . 1 . . . A 14 LEU HD22 . 18017 1
81 . 1 1 14 14 LEU HD23 H 1 0.644 0.002 . 1 . . . A 14 LEU HD23 . 18017 1
82 . 1 1 14 14 LEU C C 13 175.794 0.156 . 1 . . . A 14 LEU C . 18017 1
83 . 1 1 14 14 LEU CA C 13 52.268 0.137 . 1 . . . A 14 LEU CA . 18017 1
84 . 1 1 14 14 LEU CB C 13 43.162 0.054 . 1 . . . A 14 LEU CB . 18017 1
85 . 1 1 14 14 LEU CG C 13 27.497 0.053 . 1 . . . A 14 LEU CG . 18017 1
86 . 1 1 14 14 LEU CD1 C 13 25.862 0.059 . 2 . . . A 14 LEU CD1 . 18017 1
87 . 1 1 14 14 LEU CD2 C 13 23.792 0.043 . 2 . . . A 14 LEU CD2 . 18017 1
88 . 1 1 14 14 LEU N N 15 125.686 0.025 . 1 . . . A 14 LEU N . 18017 1
89 . 1 1 15 15 ARG H H 1 9.098 0.002 . 1 . . . A 15 ARG H . 18017 1
90 . 1 1 15 15 ARG HA H 1 5.032 0.005 . 1 . . . A 15 ARG HA . 18017 1
91 . 1 1 15 15 ARG HB2 H 1 1.516 0.005 . 2 . . . A 15 ARG HB2 . 18017 1
92 . 1 1 15 15 ARG HB3 H 1 1.782 0.004 . 2 . . . A 15 ARG HB3 . 18017 1
93 . 1 1 15 15 ARG HG2 H 1 1.393 0.002 . 1 . . . A 15 ARG HG2 . 18017 1
94 . 1 1 15 15 ARG HG3 H 1 1.393 0.002 . 1 . . . A 15 ARG HG3 . 18017 1
95 . 1 1 15 15 ARG HD2 H 1 3.041 0.005 . 1 . . . A 15 ARG HD2 . 18017 1
96 . 1 1 15 15 ARG HD3 H 1 3.041 0.005 . 1 . . . A 15 ARG HD3 . 18017 1
97 . 1 1 15 15 ARG C C 13 175.757 0.156 . 1 . . . A 15 ARG C . 18017 1
98 . 1 1 15 15 ARG CA C 13 54.728 0.108 . 1 . . . A 15 ARG CA . 18017 1
99 . 1 1 15 15 ARG CB C 13 33.973 0.021 . 1 . . . A 15 ARG CB . 18017 1
100 . 1 1 15 15 ARG CG C 13 28.914 0.020 . 1 . . . A 15 ARG CG . 18017 1
101 . 1 1 15 15 ARG CD C 13 43.216 0.046 . 1 . . . A 15 ARG CD . 18017 1
102 . 1 1 15 15 ARG N N 15 120.289 0.017 . 1 . . . A 15 ARG N . 18017 1
103 . 1 1 16 16 ASN H H 1 8.272 0.003 . 1 . . . A 16 ASN H . 18017 1
104 . 1 1 16 16 ASN HA H 1 4.328 0.002 . 1 . . . A 16 ASN HA . 18017 1
105 . 1 1 16 16 ASN HB2 H 1 2.756 0.003 . 2 . . . A 16 ASN HB2 . 18017 1
106 . 1 1 16 16 ASN HB3 H 1 3.663 0.004 . 2 . . . A 16 ASN HB3 . 18017 1
107 . 1 1 16 16 ASN HD21 H 1 6.802 0.001 . 2 . . . A 16 ASN HD21 . 18017 1
108 . 1 1 16 16 ASN HD22 H 1 7.968 0.001 . 2 . . . A 16 ASN HD22 . 18017 1
109 . 1 1 16 16 ASN C C 13 174.269 0.156 . 1 . . . A 16 ASN C . 18017 1
110 . 1 1 16 16 ASN CA C 13 54.080 0.256 . 1 . . . A 16 ASN CA . 18017 1
111 . 1 1 16 16 ASN CB C 13 38.181 0.072 . 1 . . . A 16 ASN CB . 18017 1
112 . 1 1 16 16 ASN N N 15 115.598 0.045 . 1 . . . A 16 ASN N . 18017 1
113 . 1 1 16 16 ASN ND2 N 15 112.040 0.030 . 1 . . . A 16 ASN ND2 . 18017 1
114 . 1 1 17 17 ILE H H 1 7.647 0.007 . 1 . . . A 17 ILE H . 18017 1
115 . 1 1 17 17 ILE HA H 1 3.771 0.003 . 1 . . . A 17 ILE HA . 18017 1
116 . 1 1 17 17 ILE HB H 1 1.093 0.008 . 1 . . . A 17 ILE HB . 18017 1
117 . 1 1 17 17 ILE HG12 H 1 0.937 0.009 . 2 . . . A 17 ILE HG12 . 18017 1
118 . 1 1 17 17 ILE HG13 H 1 1.068 0.005 . 2 . . . A 17 ILE HG13 . 18017 1
119 . 1 1 17 17 ILE HG21 H 1 0.808 0.004 . 1 . . . A 17 ILE HG21 . 18017 1
120 . 1 1 17 17 ILE HG22 H 1 0.808 0.004 . 1 . . . A 17 ILE HG22 . 18017 1
121 . 1 1 17 17 ILE HG23 H 1 0.808 0.004 . 1 . . . A 17 ILE HG23 . 18017 1
122 . 1 1 17 17 ILE HD11 H 1 0.475 0.006 . 1 . . . A 17 ILE HD11 . 18017 1
123 . 1 1 17 17 ILE HD12 H 1 0.475 0.006 . 1 . . . A 17 ILE HD12 . 18017 1
124 . 1 1 17 17 ILE HD13 H 1 0.475 0.006 . 1 . . . A 17 ILE HD13 . 18017 1
125 . 1 1 17 17 ILE C C 13 176.869 0.156 . 1 . . . A 17 ILE C . 18017 1
126 . 1 1 17 17 ILE CA C 13 59.405 0.164 . 1 . . . A 17 ILE CA . 18017 1
127 . 1 1 17 17 ILE CB C 13 37.678 0.071 . 1 . . . A 17 ILE CB . 18017 1
128 . 1 1 17 17 ILE CG1 C 13 27.456 0.047 . 1 . . . A 17 ILE CG1 . 18017 1
129 . 1 1 17 17 ILE CG2 C 13 16.816 0.050 . 1 . . . A 17 ILE CG2 . 18017 1
130 . 1 1 17 17 ILE CD1 C 13 11.831 0.163 . 1 . . . A 17 ILE CD1 . 18017 1
131 . 1 1 17 17 ILE N N 15 116.192 0.059 . 1 . . . A 17 ILE N . 18017 1
132 . 1 1 18 18 ALA H H 1 9.199 0.002 . 1 . . . A 18 ALA H . 18017 1
133 . 1 1 18 18 ALA HA H 1 4.320 0.003 . 1 . . . A 18 ALA HA . 18017 1
134 . 1 1 18 18 ALA HB1 H 1 1.489 0.003 . 1 . . . A 18 ALA HB1 . 18017 1
135 . 1 1 18 18 ALA HB2 H 1 1.489 0.003 . 1 . . . A 18 ALA HB2 . 18017 1
136 . 1 1 18 18 ALA HB3 H 1 1.489 0.003 . 1 . . . A 18 ALA HB3 . 18017 1
137 . 1 1 18 18 ALA CA C 13 51.027 0.012 . 1 . . . A 18 ALA CA . 18017 1
138 . 1 1 18 18 ALA CB C 13 17.020 0.010 . 1 . . . A 18 ALA CB . 18017 1
139 . 1 1 18 18 ALA N N 15 131.511 0.014 . 1 . . . A 18 ALA N . 18017 1
140 . 1 1 19 19 PRO HA H 1 4.342 0.006 . 1 . . . A 19 PRO HA . 18017 1
141 . 1 1 19 19 PRO HB2 H 1 2.350 0.006 . 2 . . . A 19 PRO HB2 . 18017 1
142 . 1 1 19 19 PRO HB3 H 1 1.843 0.009 . 2 . . . A 19 PRO HB3 . 18017 1
143 . 1 1 19 19 PRO HG2 H 1 2.130 0.004 . 1 . . . A 19 PRO HG2 . 18017 1
144 . 1 1 19 19 PRO HG3 H 1 2.130 0.004 . 1 . . . A 19 PRO HG3 . 18017 1
145 . 1 1 19 19 PRO HD2 H 1 3.854 0.004 . 1 . . . A 19 PRO HD2 . 18017 1
146 . 1 1 19 19 PRO HD3 H 1 3.854 0.004 . 1 . . . A 19 PRO HD3 . 18017 1
147 . 1 1 19 19 PRO C C 13 176.909 0.156 . 1 . . . A 19 PRO C . 18017 1
148 . 1 1 19 19 PRO CA C 13 65.557 0.076 . 1 . . . A 19 PRO CA . 18017 1
149 . 1 1 19 19 PRO CB C 13 32.463 0.058 . 1 . . . A 19 PRO CB . 18017 1
150 . 1 1 19 19 PRO CG C 13 27.590 0.054 . 1 . . . A 19 PRO CG . 18017 1
151 . 1 1 19 19 PRO CD C 13 50.678 0.011 . 1 . . . A 19 PRO CD . 18017 1
152 . 1 1 20 20 HIS H H 1 7.984 0.005 . 1 . . . A 20 HIS H . 18017 1
153 . 1 1 20 20 HIS HA H 1 4.777 0.006 . 1 . . . A 20 HIS HA . 18017 1
154 . 1 1 20 20 HIS HB2 H 1 3.024 0.005 . 2 . . . A 20 HIS HB2 . 18017 1
155 . 1 1 20 20 HIS HB3 H 1 3.180 0.002 . 2 . . . A 20 HIS HB3 . 18017 1
156 . 1 1 20 20 HIS C C 13 175.678 0.156 . 1 . . . A 20 HIS C . 18017 1
157 . 1 1 20 20 HIS CA C 13 55.177 0.096 . 1 . . . A 20 HIS CA . 18017 1
158 . 1 1 20 20 HIS CB C 13 30.529 0.022 . 1 . . . A 20 HIS CB . 18017 1
159 . 1 1 20 20 HIS N N 15 109.918 0.071 . 1 . . . A 20 HIS N . 18017 1
160 . 1 1 21 21 THR H H 1 6.827 0.003 . 1 . . . A 21 THR H . 18017 1
161 . 1 1 21 21 THR HA H 1 4.070 0.006 . 1 . . . A 21 THR HA . 18017 1
162 . 1 1 21 21 THR HB H 1 3.444 0.005 . 1 . . . A 21 THR HB . 18017 1
163 . 1 1 21 21 THR HG21 H 1 1.047 0.004 . 1 . . . A 21 THR HG21 . 18017 1
164 . 1 1 21 21 THR HG22 H 1 1.047 0.004 . 1 . . . A 21 THR HG22 . 18017 1
165 . 1 1 21 21 THR HG23 H 1 1.047 0.004 . 1 . . . A 21 THR HG23 . 18017 1
166 . 1 1 21 21 THR C C 13 174.076 0.156 . 1 . . . A 21 THR C . 18017 1
167 . 1 1 21 21 THR CA C 13 64.336 0.153 . 1 . . . A 21 THR CA . 18017 1
168 . 1 1 21 21 THR CB C 13 69.361 0.073 . 1 . . . A 21 THR CB . 18017 1
169 . 1 1 21 21 THR CG2 C 13 23.261 0.084 . 1 . . . A 21 THR CG2 . 18017 1
170 . 1 1 21 21 THR N N 15 121.160 0.017 . 1 . . . A 21 THR N . 18017 1
171 . 1 1 22 22 VAL H H 1 8.304 0.003 . 1 . . . A 22 VAL H . 18017 1
172 . 1 1 22 22 VAL HA H 1 4.720 0.004 . 1 . . . A 22 VAL HA . 18017 1
173 . 1 1 22 22 VAL HB H 1 2.502 0.004 . 1 . . . A 22 VAL HB . 18017 1
174 . 1 1 22 22 VAL HG11 H 1 1.053 0.006 . 1 . . . A 22 VAL HG11 . 18017 1
175 . 1 1 22 22 VAL HG12 H 1 1.053 0.006 . 1 . . . A 22 VAL HG12 . 18017 1
176 . 1 1 22 22 VAL HG13 H 1 1.053 0.006 . 1 . . . A 22 VAL HG13 . 18017 1
177 . 1 1 22 22 VAL HG21 H 1 1.008 0.003 . 1 . . . A 22 VAL HG21 . 18017 1
178 . 1 1 22 22 VAL HG22 H 1 1.008 0.003 . 1 . . . A 22 VAL HG22 . 18017 1
179 . 1 1 22 22 VAL HG23 H 1 1.008 0.003 . 1 . . . A 22 VAL HG23 . 18017 1
180 . 1 1 22 22 VAL C C 13 177.937 0.156 . 1 . . . A 22 VAL C . 18017 1
181 . 1 1 22 22 VAL CA C 13 58.985 0.125 . 1 . . . A 22 VAL CA . 18017 1
182 . 1 1 22 22 VAL CB C 13 34.028 0.029 . 1 . . . A 22 VAL CB . 18017 1
183 . 1 1 22 22 VAL CG1 C 13 21.719 0.066 . 2 . . . A 22 VAL CG1 . 18017 1
184 . 1 1 22 22 VAL CG2 C 13 18.781 0.010 . 2 . . . A 22 VAL CG2 . 18017 1
185 . 1 1 22 22 VAL N N 15 119.483 0.036 . 1 . . . A 22 VAL N . 18017 1
186 . 1 1 23 23 VAL H H 1 8.860 0.003 . 1 . . . A 23 VAL H . 18017 1
187 . 1 1 23 23 VAL HA H 1 3.476 0.004 . 1 . . . A 23 VAL HA . 18017 1
188 . 1 1 23 23 VAL HB H 1 2.104 0.003 . 1 . . . A 23 VAL HB . 18017 1
189 . 1 1 23 23 VAL HG11 H 1 1.084 0.009 . 1 . . . A 23 VAL HG11 . 18017 1
190 . 1 1 23 23 VAL HG12 H 1 1.084 0.009 . 1 . . . A 23 VAL HG12 . 18017 1
191 . 1 1 23 23 VAL HG13 H 1 1.084 0.009 . 1 . . . A 23 VAL HG13 . 18017 1
192 . 1 1 23 23 VAL HG21 H 1 1.023 0.004 . 1 . . . A 23 VAL HG21 . 18017 1
193 . 1 1 23 23 VAL HG22 H 1 1.023 0.004 . 1 . . . A 23 VAL HG22 . 18017 1
194 . 1 1 23 23 VAL HG23 H 1 1.023 0.004 . 1 . . . A 23 VAL HG23 . 18017 1
195 . 1 1 23 23 VAL C C 13 177.840 0.156 . 1 . . . A 23 VAL C . 18017 1
196 . 1 1 23 23 VAL CA C 13 67.171 0.114 . 1 . . . A 23 VAL CA . 18017 1
197 . 1 1 23 23 VAL CB C 13 31.654 0.044 . 1 . . . A 23 VAL CB . 18017 1
198 . 1 1 23 23 VAL CG1 C 13 23.148 0.009 . 2 . . . A 23 VAL CG1 . 18017 1
199 . 1 1 23 23 VAL CG2 C 13 20.972 0.019 . 2 . . . A 23 VAL CG2 . 18017 1
200 . 1 1 23 23 VAL N N 15 122.330 0.013 . 1 . . . A 23 VAL N . 18017 1
201 . 1 1 24 24 ASP H H 1 8.798 0.002 . 1 . . . A 24 ASP H . 18017 1
202 . 1 1 24 24 ASP HA H 1 4.324 0.002 . 1 . . . A 24 ASP HA . 18017 1
203 . 1 1 24 24 ASP HB2 H 1 2.539 0.006 . 2 . . . A 24 ASP HB2 . 18017 1
204 . 1 1 24 24 ASP HB3 H 1 2.614 0.001 . 2 . . . A 24 ASP HB3 . 18017 1
205 . 1 1 24 24 ASP C C 13 178.139 0.156 . 1 . . . A 24 ASP C . 18017 1
206 . 1 1 24 24 ASP CA C 13 57.508 0.059 . 1 . . . A 24 ASP CA . 18017 1
207 . 1 1 24 24 ASP CB C 13 40.618 0.035 . 1 . . . A 24 ASP CB . 18017 1
208 . 1 1 24 24 ASP N N 15 118.929 0.030 . 1 . . . A 24 ASP N . 18017 1
209 . 1 1 25 25 SER H H 1 7.522 0.002 . 1 . . . A 25 SER H . 18017 1
210 . 1 1 25 25 SER HA H 1 4.343 0.006 . 1 . . . A 25 SER HA . 18017 1
211 . 1 1 25 25 SER HB2 H 1 3.837 0.003 . 2 . . . A 25 SER HB2 . 18017 1
212 . 1 1 25 25 SER HB3 H 1 4.070 0.008 . 2 . . . A 25 SER HB3 . 18017 1
213 . 1 1 25 25 SER C C 13 177.038 0.156 . 1 . . . A 25 SER C . 18017 1
214 . 1 1 25 25 SER CA C 13 61.002 0.123 . 1 . . . A 25 SER CA . 18017 1
215 . 1 1 25 25 SER CB C 13 62.116 0.086 . 1 . . . A 25 SER CB . 18017 1
216 . 1 1 25 25 SER N N 15 113.808 0.051 . 1 . . . A 25 SER N . 18017 1
217 . 1 1 26 26 ILE H H 1 7.360 0.002 . 1 . . . A 26 ILE H . 18017 1
218 . 1 1 26 26 ILE HA H 1 3.580 0.003 . 1 . . . A 26 ILE HA . 18017 1
219 . 1 1 26 26 ILE HB H 1 2.020 0.007 . 1 . . . A 26 ILE HB . 18017 1
220 . 1 1 26 26 ILE HG12 H 1 0.687 0.001 . 2 . . . A 26 ILE HG12 . 18017 1
221 . 1 1 26 26 ILE HG13 H 1 1.606 0.004 . 2 . . . A 26 ILE HG13 . 18017 1
222 . 1 1 26 26 ILE HG21 H 1 0.653 0.007 . 1 . . . A 26 ILE HG21 . 18017 1
223 . 1 1 26 26 ILE HG22 H 1 0.653 0.007 . 1 . . . A 26 ILE HG22 . 18017 1
224 . 1 1 26 26 ILE HG23 H 1 0.653 0.007 . 1 . . . A 26 ILE HG23 . 18017 1
225 . 1 1 26 26 ILE HD11 H 1 0.627 0.005 . 1 . . . A 26 ILE HD11 . 18017 1
226 . 1 1 26 26 ILE HD12 H 1 0.627 0.005 . 1 . . . A 26 ILE HD12 . 18017 1
227 . 1 1 26 26 ILE HD13 H 1 0.627 0.005 . 1 . . . A 26 ILE HD13 . 18017 1
228 . 1 1 26 26 ILE C C 13 176.635 0.156 . 1 . . . A 26 ILE C . 18017 1
229 . 1 1 26 26 ILE CA C 13 65.165 0.166 . 1 . . . A 26 ILE CA . 18017 1
230 . 1 1 26 26 ILE CB C 13 37.504 0.118 . 1 . . . A 26 ILE CB . 18017 1
231 . 1 1 26 26 ILE CG1 C 13 28.346 0.080 . 1 . . . A 26 ILE CG1 . 18017 1
232 . 1 1 26 26 ILE CG2 C 13 17.570 0.155 . 1 . . . A 26 ILE CG2 . 18017 1
233 . 1 1 26 26 ILE CD1 C 13 14.290 0.024 . 1 . . . A 26 ILE CD1 . 18017 1
234 . 1 1 26 26 ILE N N 15 122.519 0.012 . 1 . . . A 26 ILE N . 18017 1
235 . 1 1 27 27 MET H H 1 8.071 0.002 . 1 . . . A 27 MET H . 18017 1
236 . 1 1 27 27 MET HA H 1 3.923 0.007 . 1 . . . A 27 MET HA . 18017 1
237 . 1 1 27 27 MET HB2 H 1 2.036 0.012 . 2 . . . A 27 MET HB2 . 18017 1
238 . 1 1 27 27 MET HB3 H 1 2.292 0.053 . 2 . . . A 27 MET HB3 . 18017 1
239 . 1 1 27 27 MET HG2 H 1 2.375 0.004 . 2 . . . A 27 MET HG2 . 18017 1
240 . 1 1 27 27 MET HG3 H 1 2.488 0.002 . 2 . . . A 27 MET HG3 . 18017 1
241 . 1 1 27 27 MET HE1 H 1 2.003 0.003 . 1 . . . A 27 MET HE1 . 18017 1
242 . 1 1 27 27 MET HE2 H 1 2.003 0.003 . 1 . . . A 27 MET HE2 . 18017 1
243 . 1 1 27 27 MET HE3 H 1 2.003 0.003 . 1 . . . A 27 MET HE3 . 18017 1
244 . 1 1 27 27 MET C C 13 179.299 0.156 . 1 . . . A 27 MET C . 18017 1
245 . 1 1 27 27 MET CA C 13 58.969 0.122 . 1 . . . A 27 MET CA . 18017 1
246 . 1 1 27 27 MET CB C 13 31.962 0.077 . 1 . . . A 27 MET CB . 18017 1
247 . 1 1 27 27 MET CG C 13 32.046 0.032 . 1 . . . A 27 MET CG . 18017 1
248 . 1 1 27 27 MET CE C 13 16.799 0.015 . 1 . . . A 27 MET CE . 18017 1
249 . 1 1 27 27 MET N N 15 118.314 0.033 . 1 . . . A 27 MET N . 18017 1
250 . 1 1 28 28 THR H H 1 8.495 0.004 . 1 . . . A 28 THR H . 18017 1
251 . 1 1 28 28 THR HA H 1 3.909 0.001 . 1 . . . A 28 THR HA . 18017 1
252 . 1 1 28 28 THR HB H 1 4.136 0.002 . 1 . . . A 28 THR HB . 18017 1
253 . 1 1 28 28 THR HG21 H 1 1.250 0.002 . 1 . . . A 28 THR HG21 . 18017 1
254 . 1 1 28 28 THR HG22 H 1 1.250 0.002 . 1 . . . A 28 THR HG22 . 18017 1
255 . 1 1 28 28 THR HG23 H 1 1.250 0.002 . 1 . . . A 28 THR HG23 . 18017 1
256 . 1 1 28 28 THR C C 13 176.593 0.156 . 1 . . . A 28 THR C . 18017 1
257 . 1 1 28 28 THR CA C 13 66.572 0.151 . 1 . . . A 28 THR CA . 18017 1
258 . 1 1 28 28 THR CB C 13 68.691 0.056 . 1 . . . A 28 THR CB . 18017 1
259 . 1 1 28 28 THR CG2 C 13 21.945 0.123 . 1 . . . A 28 THR CG2 . 18017 1
260 . 1 1 28 28 THR N N 15 115.656 0.050 . 1 . . . A 28 THR N . 18017 1
261 . 1 1 29 29 ALA H H 1 7.502 0.005 . 1 . . . A 29 ALA H . 18017 1
262 . 1 1 29 29 ALA HA H 1 4.206 0.002 . 1 . . . A 29 ALA HA . 18017 1
263 . 1 1 29 29 ALA HB1 H 1 1.517 0.004 . 1 . . . A 29 ALA HB1 . 18017 1
264 . 1 1 29 29 ALA HB2 H 1 1.517 0.004 . 1 . . . A 29 ALA HB2 . 18017 1
265 . 1 1 29 29 ALA HB3 H 1 1.517 0.004 . 1 . . . A 29 ALA HB3 . 18017 1
266 . 1 1 29 29 ALA C C 13 178.294 0.156 . 1 . . . A 29 ALA C . 18017 1
267 . 1 1 29 29 ALA CA C 13 54.413 0.131 . 1 . . . A 29 ALA CA . 18017 1
268 . 1 1 29 29 ALA CB C 13 19.139 0.084 . 1 . . . A 29 ALA CB . 18017 1
269 . 1 1 29 29 ALA N N 15 122.758 0.025 . 1 . . . A 29 ALA N . 18017 1
270 . 1 1 30 30 LEU H H 1 7.632 0.004 . 1 . . . A 30 LEU H . 18017 1
271 . 1 1 30 30 LEU HA H 1 4.626 0.006 . 1 . . . A 30 LEU HA . 18017 1
272 . 1 1 30 30 LEU HB2 H 1 1.584 0.007 . 2 . . . A 30 LEU HB2 . 18017 1
273 . 1 1 30 30 LEU HB3 H 1 1.808 0.006 . 2 . . . A 30 LEU HB3 . 18017 1
274 . 1 1 30 30 LEU HG H 1 1.935 0.008 . 1 . . . A 30 LEU HG . 18017 1
275 . 1 1 30 30 LEU HD11 H 1 0.770 0.028 . 1 . . . A 30 LEU HD11 . 18017 1
276 . 1 1 30 30 LEU HD12 H 1 0.770 0.028 . 1 . . . A 30 LEU HD12 . 18017 1
277 . 1 1 30 30 LEU HD13 H 1 0.770 0.028 . 1 . . . A 30 LEU HD13 . 18017 1
278 . 1 1 30 30 LEU HD21 H 1 0.838 0.026 . 1 . . . A 30 LEU HD21 . 18017 1
279 . 1 1 30 30 LEU HD22 H 1 0.838 0.026 . 1 . . . A 30 LEU HD22 . 18017 1
280 . 1 1 30 30 LEU HD23 H 1 0.838 0.026 . 1 . . . A 30 LEU HD23 . 18017 1
281 . 1 1 30 30 LEU C C 13 177.647 0.156 . 1 . . . A 30 LEU C . 18017 1
282 . 1 1 30 30 LEU CA C 13 55.298 0.018 . 1 . . . A 30 LEU CA . 18017 1
283 . 1 1 30 30 LEU CB C 13 43.136 0.077 . 1 . . . A 30 LEU CB . 18017 1
284 . 1 1 30 30 LEU CG C 13 27.901 0.068 . 1 . . . A 30 LEU CG . 18017 1
285 . 1 1 30 30 LEU CD1 C 13 26.087 0.022 . 2 . . . A 30 LEU CD1 . 18017 1
286 . 1 1 30 30 LEU CD2 C 13 24.338 0.167 . 2 . . . A 30 LEU CD2 . 18017 1
287 . 1 1 30 30 LEU N N 15 111.753 0.070 . 1 . . . A 30 LEU N . 18017 1
288 . 1 1 31 31 SER H H 1 7.959 0.003 . 1 . . . A 31 SER H . 18017 1
289 . 1 1 31 31 SER HA H 1 4.593 0.003 . 1 . . . A 31 SER HA . 18017 1
290 . 1 1 31 31 SER HB2 H 1 4.120 0.004 . 1 . . . A 31 SER HB2 . 18017 1
291 . 1 1 31 31 SER HB3 H 1 4.120 0.004 . 1 . . . A 31 SER HB3 . 18017 1
292 . 1 1 31 31 SER CA C 13 62.769 0.003 . 1 . . . A 31 SER CA . 18017 1
293 . 1 1 31 31 SER CB C 13 63.014 0.005 . 1 . . . A 31 SER CB . 18017 1
294 . 1 1 31 31 SER N N 15 117.879 0.046 . 1 . . . A 31 SER N . 18017 1
295 . 1 1 32 32 PRO HA H 1 4.167 0.001 . 1 . . . A 32 PRO HA . 18017 1
296 . 1 1 32 32 PRO HB2 H 1 1.925 0.003 . 2 . . . A 32 PRO HB2 . 18017 1
297 . 1 1 32 32 PRO HB3 H 1 0.055 0.002 . 2 . . . A 32 PRO HB3 . 18017 1
298 . 1 1 32 32 PRO HG2 H 1 1.554 0.004 . 2 . . . A 32 PRO HG2 . 18017 1
299 . 1 1 32 32 PRO HG3 H 1 1.618 0.008 . 2 . . . A 32 PRO HG3 . 18017 1
300 . 1 1 32 32 PRO HD2 H 1 2.990 0.003 . 2 . . . A 32 PRO HD2 . 18017 1
301 . 1 1 32 32 PRO HD3 H 1 3.803 0.005 . 2 . . . A 32 PRO HD3 . 18017 1
302 . 1 1 32 32 PRO C C 13 176.529 0.156 . 1 . . . A 32 PRO C . 18017 1
303 . 1 1 32 32 PRO CA C 13 64.668 0.119 . 1 . . . A 32 PRO CA . 18017 1
304 . 1 1 32 32 PRO CB C 13 30.522 0.034 . 1 . . . A 32 PRO CB . 18017 1
305 . 1 1 32 32 PRO CG C 13 28.053 0.045 . 1 . . . A 32 PRO CG . 18017 1
306 . 1 1 32 32 PRO CD C 13 51.255 0.062 . 1 . . . A 32 PRO CD . 18017 1
307 . 1 1 33 33 TYR H H 1 7.763 0.002 . 1 . . . A 33 TYR H . 18017 1
308 . 1 1 33 33 TYR HA H 1 4.619 0.004 . 1 . . . A 33 TYR HA . 18017 1
309 . 1 1 33 33 TYR HB2 H 1 2.585 0.007 . 2 . . . A 33 TYR HB2 . 18017 1
310 . 1 1 33 33 TYR HB3 H 1 3.214 0.005 . 2 . . . A 33 TYR HB3 . 18017 1
311 . 1 1 33 33 TYR HD1 H 1 7.019 0.004 . 3 . . . A 33 TYR HD1 . 18017 1
312 . 1 1 33 33 TYR HD2 H 1 7.025 0.001 . 3 . . . A 33 TYR HD2 . 18017 1
313 . 1 1 33 33 TYR HE1 H 1 6.760 0.002 . 3 . . . A 33 TYR HE1 . 18017 1
314 . 1 1 33 33 TYR HE2 H 1 6.758 0.002 . 3 . . . A 33 TYR HE2 . 18017 1
315 . 1 1 33 33 TYR C C 13 174.870 0.156 . 1 . . . A 33 TYR C . 18017 1
316 . 1 1 33 33 TYR CA C 13 56.724 0.066 . 1 . . . A 33 TYR CA . 18017 1
317 . 1 1 33 33 TYR CB C 13 40.679 0.037 . 1 . . . A 33 TYR CB . 18017 1
318 . 1 1 33 33 TYR N N 15 113.088 0.031 . 1 . . . A 33 TYR N . 18017 1
319 . 1 1 34 34 ALA H H 1 7.893 0.002 . 1 . . . A 34 ALA H . 18017 1
320 . 1 1 34 34 ALA HA H 1 4.475 0.001 . 1 . . . A 34 ALA HA . 18017 1
321 . 1 1 34 34 ALA HB1 H 1 1.266 0.004 . 1 . . . A 34 ALA HB1 . 18017 1
322 . 1 1 34 34 ALA HB2 H 1 1.266 0.004 . 1 . . . A 34 ALA HB2 . 18017 1
323 . 1 1 34 34 ALA HB3 H 1 1.266 0.004 . 1 . . . A 34 ALA HB3 . 18017 1
324 . 1 1 34 34 ALA C C 13 174.951 0.156 . 1 . . . A 34 ALA C . 18017 1
325 . 1 1 34 34 ALA CA C 13 51.497 0.081 . 1 . . . A 34 ALA CA . 18017 1
326 . 1 1 34 34 ALA CB C 13 22.465 0.045 . 1 . . . A 34 ALA CB . 18017 1
327 . 1 1 34 34 ALA N N 15 120.153 0.031 . 1 . . . A 34 ALA N . 18017 1
328 . 1 1 35 35 SER H H 1 8.524 0.003 . 1 . . . A 35 SER H . 18017 1
329 . 1 1 35 35 SER HA H 1 4.552 0.003 . 1 . . . A 35 SER HA . 18017 1
330 . 1 1 35 35 SER HB2 H 1 3.741 0.002 . 2 . . . A 35 SER HB2 . 18017 1
331 . 1 1 35 35 SER HB3 H 1 3.833 0.002 . 2 . . . A 35 SER HB3 . 18017 1
332 . 1 1 35 35 SER C C 13 173.636 0.156 . 1 . . . A 35 SER C . 18017 1
333 . 1 1 35 35 SER CA C 13 57.074 0.167 . 1 . . . A 35 SER CA . 18017 1
334 . 1 1 35 35 SER CB C 13 62.425 0.109 . 1 . . . A 35 SER CB . 18017 1
335 . 1 1 35 35 SER N N 15 116.020 0.050 . 1 . . . A 35 SER N . 18017 1
336 . 1 1 36 36 LEU H H 1 8.087 0.006 . 1 . . . A 36 LEU H . 18017 1
337 . 1 1 36 36 LEU HA H 1 4.612 0.005 . 1 . . . A 36 LEU HA . 18017 1
338 . 1 1 36 36 LEU HB2 H 1 1.372 0.006 . 2 . . . A 36 LEU HB2 . 18017 1
339 . 1 1 36 36 LEU HB3 H 1 1.602 0.006 . 2 . . . A 36 LEU HB3 . 18017 1
340 . 1 1 36 36 LEU HG H 1 1.419 0.010 . 1 . . . A 36 LEU HG . 18017 1
341 . 1 1 36 36 LEU HD11 H 1 0.729 0.002 . 1 . . . A 36 LEU HD11 . 18017 1
342 . 1 1 36 36 LEU HD12 H 1 0.729 0.002 . 1 . . . A 36 LEU HD12 . 18017 1
343 . 1 1 36 36 LEU HD13 H 1 0.729 0.002 . 1 . . . A 36 LEU HD13 . 18017 1
344 . 1 1 36 36 LEU HD21 H 1 0.733 0.002 . 1 . . . A 36 LEU HD21 . 18017 1
345 . 1 1 36 36 LEU HD22 H 1 0.733 0.002 . 1 . . . A 36 LEU HD22 . 18017 1
346 . 1 1 36 36 LEU HD23 H 1 0.733 0.002 . 1 . . . A 36 LEU HD23 . 18017 1
347 . 1 1 36 36 LEU C C 13 174.412 0.156 . 1 . . . A 36 LEU C . 18017 1
348 . 1 1 36 36 LEU CA C 13 53.671 0.191 . 1 . . . A 36 LEU CA . 18017 1
349 . 1 1 36 36 LEU CB C 13 44.941 0.091 . 1 . . . A 36 LEU CB . 18017 1
350 . 1 1 36 36 LEU CG C 13 26.980 0.185 . 1 . . . A 36 LEU CG . 18017 1
351 . 1 1 36 36 LEU CD1 C 13 27.100 0.020 . 2 . . . A 36 LEU CD1 . 18017 1
352 . 1 1 36 36 LEU CD2 C 13 24.167 0.015 . 2 . . . A 36 LEU CD2 . 18017 1
353 . 1 1 36 36 LEU N N 15 126.128 0.016 . 1 . . . A 36 LEU N . 18017 1
354 . 1 1 37 37 ALA H H 1 8.295 0.002 . 1 . . . A 37 ALA H . 18017 1
355 . 1 1 37 37 ALA HA H 1 4.713 0.004 . 1 . . . A 37 ALA HA . 18017 1
356 . 1 1 37 37 ALA HB1 H 1 1.417 0.004 . 1 . . . A 37 ALA HB1 . 18017 1
357 . 1 1 37 37 ALA HB2 H 1 1.417 0.004 . 1 . . . A 37 ALA HB2 . 18017 1
358 . 1 1 37 37 ALA HB3 H 1 1.417 0.004 . 1 . . . A 37 ALA HB3 . 18017 1
359 . 1 1 37 37 ALA C C 13 178.657 0.156 . 1 . . . A 37 ALA C . 18017 1
360 . 1 1 37 37 ALA CA C 13 50.220 0.126 . 1 . . . A 37 ALA CA . 18017 1
361 . 1 1 37 37 ALA CB C 13 21.462 0.117 . 1 . . . A 37 ALA CB . 18017 1
362 . 1 1 37 37 ALA N N 15 122.973 0.013 . 1 . . . A 37 ALA N . 18017 1
363 . 1 1 38 38 VAL H H 1 8.650 0.003 . 1 . . . A 38 VAL H . 18017 1
364 . 1 1 38 38 VAL HA H 1 3.790 0.005 . 1 . . . A 38 VAL HA . 18017 1
365 . 1 1 38 38 VAL HB H 1 2.100 0.003 . 1 . . . A 38 VAL HB . 18017 1
366 . 1 1 38 38 VAL HG11 H 1 1.002 0.005 . 1 . . . A 38 VAL HG11 . 18017 1
367 . 1 1 38 38 VAL HG12 H 1 1.002 0.005 . 1 . . . A 38 VAL HG12 . 18017 1
368 . 1 1 38 38 VAL HG13 H 1 1.002 0.005 . 1 . . . A 38 VAL HG13 . 18017 1
369 . 1 1 38 38 VAL HG21 H 1 1.030 0.009 . 1 . . . A 38 VAL HG21 . 18017 1
370 . 1 1 38 38 VAL HG22 H 1 1.030 0.009 . 1 . . . A 38 VAL HG22 . 18017 1
371 . 1 1 38 38 VAL HG23 H 1 1.030 0.009 . 1 . . . A 38 VAL HG23 . 18017 1
372 . 1 1 38 38 VAL CA C 13 66.004 0.126 . 1 . . . A 38 VAL CA . 18017 1
373 . 1 1 38 38 VAL CB C 13 31.690 0.110 . 1 . . . A 38 VAL CB . 18017 1
374 . 1 1 38 38 VAL CG1 C 13 20.940 0.008 . 2 . . . A 38 VAL CG1 . 18017 1
375 . 1 1 38 38 VAL CG2 C 13 21.485 0.303 . 2 . . . A 38 VAL CG2 . 18017 1
376 . 1 1 38 38 VAL N N 15 120.371 0.012 . 1 . . . A 38 VAL N . 18017 1
377 . 1 1 39 39 ASN H H 1 8.091 0.003 . 1 . . . A 39 ASN H . 18017 1
378 . 1 1 39 39 ASN HA H 1 4.614 0.006 . 1 . . . A 39 ASN HA . 18017 1
379 . 1 1 39 39 ASN HB2 H 1 2.755 0.001 . 2 . . . A 39 ASN HB2 . 18017 1
380 . 1 1 39 39 ASN HB3 H 1 2.790 0.003 . 2 . . . A 39 ASN HB3 . 18017 1
381 . 1 1 39 39 ASN HD21 H 1 6.854 0.002 . 2 . . . A 39 ASN HD21 . 18017 1
382 . 1 1 39 39 ASN HD22 H 1 7.617 0.002 . 2 . . . A 39 ASN HD22 . 18017 1
383 . 1 1 39 39 ASN C C 13 175.715 0.156 . 1 . . . A 39 ASN C . 18017 1
384 . 1 1 39 39 ASN CA C 13 54.439 0.066 . 1 . . . A 39 ASN CA . 18017 1
385 . 1 1 39 39 ASN CB C 13 37.464 0.068 . 1 . . . A 39 ASN CB . 18017 1
386 . 1 1 39 39 ASN N N 15 114.240 0.046 . 1 . . . A 39 ASN N . 18017 1
387 . 1 1 39 39 ASN ND2 N 15 112.927 0.026 . 1 . . . A 39 ASN ND2 . 18017 1
388 . 1 1 40 40 ASN H H 1 8.132 0.002 . 1 . . . A 40 ASN H . 18017 1
389 . 1 1 40 40 ASN HA H 1 4.864 0.006 . 1 . . . A 40 ASN HA . 18017 1
390 . 1 1 40 40 ASN HB2 H 1 2.855 0.004 . 2 . . . A 40 ASN HB2 . 18017 1
391 . 1 1 40 40 ASN HB3 H 1 3.650 0.007 . 2 . . . A 40 ASN HB3 . 18017 1
392 . 1 1 40 40 ASN HD21 H 1 6.940 0.001 . 2 . . . A 40 ASN HD21 . 18017 1
393 . 1 1 40 40 ASN HD22 H 1 7.735 0.005 . 2 . . . A 40 ASN HD22 . 18017 1
394 . 1 1 40 40 ASN C C 13 173.459 0.156 . 1 . . . A 40 ASN C . 18017 1
395 . 1 1 40 40 ASN CA C 13 54.519 0.117 . 1 . . . A 40 ASN CA . 18017 1
396 . 1 1 40 40 ASN CB C 13 40.087 0.028 . 1 . . . A 40 ASN CB . 18017 1
397 . 1 1 40 40 ASN N N 15 116.388 0.028 . 1 . . . A 40 ASN N . 18017 1
398 . 1 1 40 40 ASN ND2 N 15 110.478 0.043 . 1 . . . A 40 ASN ND2 . 18017 1
399 . 1 1 41 41 ILE H H 1 7.685 0.002 . 1 . . . A 41 ILE H . 18017 1
400 . 1 1 41 41 ILE HA H 1 4.869 0.006 . 1 . . . A 41 ILE HA . 18017 1
401 . 1 1 41 41 ILE HB H 1 1.916 0.006 . 1 . . . A 41 ILE HB . 18017 1
402 . 1 1 41 41 ILE HG12 H 1 0.906 0.004 . 2 . . . A 41 ILE HG12 . 18017 1
403 . 1 1 41 41 ILE HG13 H 1 1.601 0.007 . 2 . . . A 41 ILE HG13 . 18017 1
404 . 1 1 41 41 ILE HG21 H 1 0.726 0.003 . 1 . . . A 41 ILE HG21 . 18017 1
405 . 1 1 41 41 ILE HG22 H 1 0.726 0.003 . 1 . . . A 41 ILE HG22 . 18017 1
406 . 1 1 41 41 ILE HG23 H 1 0.726 0.003 . 1 . . . A 41 ILE HG23 . 18017 1
407 . 1 1 41 41 ILE HD11 H 1 0.745 0.003 . 1 . . . A 41 ILE HD11 . 18017 1
408 . 1 1 41 41 ILE HD12 H 1 0.745 0.003 . 1 . . . A 41 ILE HD12 . 18017 1
409 . 1 1 41 41 ILE HD13 H 1 0.745 0.003 . 1 . . . A 41 ILE HD13 . 18017 1
410 . 1 1 41 41 ILE C C 13 174.445 0.156 . 1 . . . A 41 ILE C . 18017 1
411 . 1 1 41 41 ILE CA C 13 60.182 0.106 . 1 . . . A 41 ILE CA . 18017 1
412 . 1 1 41 41 ILE CB C 13 39.408 0.045 . 1 . . . A 41 ILE CB . 18017 1
413 . 1 1 41 41 ILE CG1 C 13 27.736 0.027 . 1 . . . A 41 ILE CG1 . 18017 1
414 . 1 1 41 41 ILE CG2 C 13 17.772 0.027 . 1 . . . A 41 ILE CG2 . 18017 1
415 . 1 1 41 41 ILE CD1 C 13 14.320 0.032 . 1 . . . A 41 ILE CD1 . 18017 1
416 . 1 1 41 41 ILE N N 15 119.763 0.019 . 1 . . . A 41 ILE N . 18017 1
417 . 1 1 42 42 ARG H H 1 9.212 0.003 . 1 . . . A 42 ARG H . 18017 1
418 . 1 1 42 42 ARG HA H 1 4.734 0.004 . 1 . . . A 42 ARG HA . 18017 1
419 . 1 1 42 42 ARG HB2 H 1 1.877 0.002 . 2 . . . A 42 ARG HB2 . 18017 1
420 . 1 1 42 42 ARG HB3 H 1 1.926 0.156 . 2 . . . A 42 ARG HB3 . 18017 1
421 . 1 1 42 42 ARG HG2 H 1 1.577 0.004 . 2 . . . A 42 ARG HG2 . 18017 1
422 . 1 1 42 42 ARG HG3 H 1 1.648 0.006 . 2 . . . A 42 ARG HG3 . 18017 1
423 . 1 1 42 42 ARG HD2 H 1 3.199 0.007 . 2 . . . A 42 ARG HD2 . 18017 1
424 . 1 1 42 42 ARG HD3 H 1 3.233 0.002 . 2 . . . A 42 ARG HD3 . 18017 1
425 . 1 1 42 42 ARG C C 13 174.592 0.156 . 1 . . . A 42 ARG C . 18017 1
426 . 1 1 42 42 ARG CA C 13 54.692 0.131 . 1 . . . A 42 ARG CA . 18017 1
427 . 1 1 42 42 ARG CB C 13 32.280 0.020 . 1 . . . A 42 ARG CB . 18017 1
428 . 1 1 42 42 ARG CG C 13 27.164 0.031 . 1 . . . A 42 ARG CG . 18017 1
429 . 1 1 42 42 ARG CD C 13 43.609 0.050 . 1 . . . A 42 ARG CD . 18017 1
430 . 1 1 42 42 ARG N N 15 126.605 0.014 . 1 . . . A 42 ARG N . 18017 1
431 . 1 1 43 43 LEU H H 1 8.903 0.002 . 1 . . . A 43 LEU H . 18017 1
432 . 1 1 43 43 LEU HA H 1 4.319 0.002 . 1 . . . A 43 LEU HA . 18017 1
433 . 1 1 43 43 LEU HB2 H 1 1.049 0.007 . 2 . . . A 43 LEU HB2 . 18017 1
434 . 1 1 43 43 LEU HB3 H 1 1.751 0.008 . 2 . . . A 43 LEU HB3 . 18017 1
435 . 1 1 43 43 LEU HG H 1 1.272 0.006 . 1 . . . A 43 LEU HG . 18017 1
436 . 1 1 43 43 LEU HD11 H 1 0.722 0.004 . 1 . . . A 43 LEU HD11 . 18017 1
437 . 1 1 43 43 LEU HD12 H 1 0.722 0.004 . 1 . . . A 43 LEU HD12 . 18017 1
438 . 1 1 43 43 LEU HD13 H 1 0.722 0.004 . 1 . . . A 43 LEU HD13 . 18017 1
439 . 1 1 43 43 LEU HD21 H 1 0.655 0.008 . 1 . . . A 43 LEU HD21 . 18017 1
440 . 1 1 43 43 LEU HD22 H 1 0.655 0.008 . 1 . . . A 43 LEU HD22 . 18017 1
441 . 1 1 43 43 LEU HD23 H 1 0.655 0.008 . 1 . . . A 43 LEU HD23 . 18017 1
442 . 1 1 43 43 LEU C C 13 175.289 0.156 . 1 . . . A 43 LEU C . 18017 1
443 . 1 1 43 43 LEU CA C 13 54.011 0.169 . 1 . . . A 43 LEU CA . 18017 1
444 . 1 1 43 43 LEU CB C 13 43.209 0.105 . 1 . . . A 43 LEU CB . 18017 1
445 . 1 1 43 43 LEU CG C 13 27.081 0.142 . 1 . . . A 43 LEU CG . 18017 1
446 . 1 1 43 43 LEU CD1 C 13 25.883 0.024 . 2 . . . A 43 LEU CD1 . 18017 1
447 . 1 1 43 43 LEU CD2 C 13 24.612 0.023 . 2 . . . A 43 LEU CD2 . 18017 1
448 . 1 1 43 43 LEU N N 15 127.710 0.031 . 1 . . . A 43 LEU N . 18017 1
449 . 1 1 44 44 ILE H H 1 6.868 0.005 . 1 . . . A 44 ILE H . 18017 1
450 . 1 1 44 44 ILE HA H 1 4.099 0.003 . 1 . . . A 44 ILE HA . 18017 1
451 . 1 1 44 44 ILE HB H 1 1.302 0.006 . 1 . . . A 44 ILE HB . 18017 1
452 . 1 1 44 44 ILE HG12 H 1 1.421 0.005 . 1 . . . A 44 ILE HG12 . 18017 1
453 . 1 1 44 44 ILE HG13 H 1 1.421 0.005 . 1 . . . A 44 ILE HG13 . 18017 1
454 . 1 1 44 44 ILE HG21 H 1 0.805 0.004 . 1 . . . A 44 ILE HG21 . 18017 1
455 . 1 1 44 44 ILE HG22 H 1 0.805 0.004 . 1 . . . A 44 ILE HG22 . 18017 1
456 . 1 1 44 44 ILE HG23 H 1 0.805 0.004 . 1 . . . A 44 ILE HG23 . 18017 1
457 . 1 1 44 44 ILE HD11 H 1 0.787 0.003 . 1 . . . A 44 ILE HD11 . 18017 1
458 . 1 1 44 44 ILE HD12 H 1 0.787 0.003 . 1 . . . A 44 ILE HD12 . 18017 1
459 . 1 1 44 44 ILE HD13 H 1 0.787 0.003 . 1 . . . A 44 ILE HD13 . 18017 1
460 . 1 1 44 44 ILE C C 13 176.243 0.156 . 1 . . . A 44 ILE C . 18017 1
461 . 1 1 44 44 ILE CA C 13 59.798 0.164 . 1 . . . A 44 ILE CA . 18017 1
462 . 1 1 44 44 ILE CB C 13 35.484 0.102 . 1 . . . A 44 ILE CB . 18017 1
463 . 1 1 44 44 ILE CG1 C 13 27.029 0.034 . 1 . . . A 44 ILE CG1 . 18017 1
464 . 1 1 44 44 ILE CG2 C 13 17.597 0.036 . 1 . . . A 44 ILE CG2 . 18017 1
465 . 1 1 44 44 ILE CD1 C 13 9.456 0.029 . 1 . . . A 44 ILE CD1 . 18017 1
466 . 1 1 44 44 ILE N N 15 124.488 0.028 . 1 . . . A 44 ILE N . 18017 1
467 . 1 1 45 45 LYS H H 1 9.033 0.003 . 1 . . . A 45 LYS H . 18017 1
468 . 1 1 45 45 LYS HA H 1 4.709 0.007 . 1 . . . A 45 LYS HA . 18017 1
469 . 1 1 45 45 LYS HB2 H 1 1.385 0.005 . 2 . . . A 45 LYS HB2 . 18017 1
470 . 1 1 45 45 LYS HB3 H 1 1.640 0.008 . 2 . . . A 45 LYS HB3 . 18017 1
471 . 1 1 45 45 LYS HG2 H 1 1.318 0.007 . 1 . . . A 45 LYS HG2 . 18017 1
472 . 1 1 45 45 LYS HG3 H 1 1.318 0.007 . 1 . . . A 45 LYS HG3 . 18017 1
473 . 1 1 45 45 LYS HD2 H 1 1.399 0.003 . 2 . . . A 45 LYS HD2 . 18017 1
474 . 1 1 45 45 LYS HD3 H 1 1.523 0.001 . 2 . . . A 45 LYS HD3 . 18017 1
475 . 1 1 45 45 LYS HE2 H 1 2.846 0.009 . 2 . . . A 45 LYS HE2 . 18017 1
476 . 1 1 45 45 LYS HE3 H 1 2.968 0.015 . 2 . . . A 45 LYS HE3 . 18017 1
477 . 1 1 45 45 LYS C C 13 176.145 0.156 . 1 . . . A 45 LYS C . 18017 1
478 . 1 1 45 45 LYS CA C 13 54.578 0.116 . 1 . . . A 45 LYS CA . 18017 1
479 . 1 1 45 45 LYS CB C 13 35.087 0.017 . 1 . . . A 45 LYS CB . 18017 1
480 . 1 1 45 45 LYS CG C 13 24.566 0.004 . 1 . . . A 45 LYS CG . 18017 1
481 . 1 1 45 45 LYS CD C 13 28.606 0.031 . 1 . . . A 45 LYS CD . 18017 1
482 . 1 1 45 45 LYS CE C 13 42.182 0.162 . 1 . . . A 45 LYS CE . 18017 1
483 . 1 1 45 45 LYS N N 15 129.531 0.010 . 1 . . . A 45 LYS N . 18017 1
484 . 1 1 46 46 ASP H H 1 8.645 0.002 . 1 . . . A 46 ASP H . 18017 1
485 . 1 1 46 46 ASP HA H 1 4.526 0.002 . 1 . . . A 46 ASP HA . 18017 1
486 . 1 1 46 46 ASP HB2 H 1 2.320 0.002 . 2 . . . A 46 ASP HB2 . 18017 1
487 . 1 1 46 46 ASP HB3 H 1 3.008 0.006 . 2 . . . A 46 ASP HB3 . 18017 1
488 . 1 1 46 46 ASP C C 13 177.108 0.156 . 1 . . . A 46 ASP C . 18017 1
489 . 1 1 46 46 ASP CA C 13 53.859 0.223 . 1 . . . A 46 ASP CA . 18017 1
490 . 1 1 46 46 ASP CB C 13 42.891 0.048 . 1 . . . A 46 ASP CB . 18017 1
491 . 1 1 46 46 ASP N N 15 123.192 0.017 . 1 . . . A 46 ASP N . 18017 1
492 . 1 1 47 47 LYS H H 1 8.915 0.002 . 1 . . . A 47 LYS H . 18017 1
493 . 1 1 47 47 LYS HA H 1 3.983 0.003 . 1 . . . A 47 LYS HA . 18017 1
494 . 1 1 47 47 LYS HB2 H 1 1.869 0.002 . 1 . . . A 47 LYS HB2 . 18017 1
495 . 1 1 47 47 LYS HB3 H 1 1.869 0.002 . 1 . . . A 47 LYS HB3 . 18017 1
496 . 1 1 47 47 LYS HG2 H 1 1.485 0.004 . 1 . . . A 47 LYS HG2 . 18017 1
497 . 1 1 47 47 LYS HG3 H 1 1.485 0.004 . 1 . . . A 47 LYS HG3 . 18017 1
498 . 1 1 47 47 LYS HD2 H 1 1.701 0.001 . 1 . . . A 47 LYS HD2 . 18017 1
499 . 1 1 47 47 LYS HD3 H 1 1.701 0.001 . 1 . . . A 47 LYS HD3 . 18017 1
500 . 1 1 47 47 LYS HE2 H 1 3.007 0.004 . 1 . . . A 47 LYS HE2 . 18017 1
501 . 1 1 47 47 LYS HE3 H 1 3.007 0.004 . 1 . . . A 47 LYS HE3 . 18017 1
502 . 1 1 47 47 LYS C C 13 177.408 0.156 . 1 . . . A 47 LYS C . 18017 1
503 . 1 1 47 47 LYS CA C 13 58.805 0.124 . 1 . . . A 47 LYS CA . 18017 1
504 . 1 1 47 47 LYS CB C 13 32.396 0.049 . 1 . . . A 47 LYS CB . 18017 1
505 . 1 1 47 47 LYS CG C 13 25.102 0.047 . 1 . . . A 47 LYS CG . 18017 1
506 . 1 1 47 47 LYS CD C 13 29.057 0.115 . 1 . . . A 47 LYS CD . 18017 1
507 . 1 1 47 47 LYS CE C 13 41.855 0.121 . 1 . . . A 47 LYS CE . 18017 1
508 . 1 1 47 47 LYS N N 15 126.940 0.019 . 1 . . . A 47 LYS N . 18017 1
509 . 1 1 48 48 GLN H H 1 8.615 0.004 . 1 . . . A 48 GLN H . 18017 1
510 . 1 1 48 48 GLN HA H 1 4.316 0.005 . 1 . . . A 48 GLN HA . 18017 1
511 . 1 1 48 48 GLN HB2 H 1 2.196 0.004 . 1 . . . A 48 GLN HB2 . 18017 1
512 . 1 1 48 48 GLN HB3 H 1 2.196 0.004 . 1 . . . A 48 GLN HB3 . 18017 1
513 . 1 1 48 48 GLN HG2 H 1 2.375 0.006 . 1 . . . A 48 GLN HG2 . 18017 1
514 . 1 1 48 48 GLN HG3 H 1 2.375 0.006 . 1 . . . A 48 GLN HG3 . 18017 1
515 . 1 1 48 48 GLN HE21 H 1 6.873 0.001 . 2 . . . A 48 GLN HE21 . 18017 1
516 . 1 1 48 48 GLN HE22 H 1 7.612 0.002 . 2 . . . A 48 GLN HE22 . 18017 1
517 . 1 1 48 48 GLN C C 13 177.822 0.156 . 1 . . . A 48 GLN C . 18017 1
518 . 1 1 48 48 GLN CA C 13 57.946 0.139 . 1 . . . A 48 GLN CA . 18017 1
519 . 1 1 48 48 GLN CB C 13 29.352 0.221 . 1 . . . A 48 GLN CB . 18017 1
520 . 1 1 48 48 GLN CG C 13 34.334 0.083 . 1 . . . A 48 GLN CG . 18017 1
521 . 1 1 48 48 GLN N N 15 116.852 0.021 . 1 . . . A 48 GLN N . 18017 1
522 . 1 1 48 48 GLN NE2 N 15 112.373 0.033 . 1 . . . A 48 GLN NE2 . 18017 1
523 . 1 1 49 49 THR H H 1 8.148 0.002 . 1 . . . A 49 THR H . 18017 1
524 . 1 1 49 49 THR HA H 1 4.337 0.007 . 1 . . . A 49 THR HA . 18017 1
525 . 1 1 49 49 THR HB H 1 4.335 0.002 . 1 . . . A 49 THR HB . 18017 1
526 . 1 1 49 49 THR HG21 H 1 1.177 0.002 . 1 . . . A 49 THR HG21 . 18017 1
527 . 1 1 49 49 THR HG22 H 1 1.177 0.002 . 1 . . . A 49 THR HG22 . 18017 1
528 . 1 1 49 49 THR HG23 H 1 1.177 0.002 . 1 . . . A 49 THR HG23 . 18017 1
529 . 1 1 49 49 THR C C 13 175.848 0.156 . 1 . . . A 49 THR C . 18017 1
530 . 1 1 49 49 THR CA C 13 61.996 0.162 . 1 . . . A 49 THR CA . 18017 1
531 . 1 1 49 49 THR CB C 13 70.662 0.049 . 1 . . . A 49 THR CB . 18017 1
532 . 1 1 49 49 THR CG2 C 13 21.111 0.125 . 1 . . . A 49 THR CG2 . 18017 1
533 . 1 1 49 49 THR N N 15 108.192 0.078 . 1 . . . A 49 THR N . 18017 1
534 . 1 1 50 50 GLN H H 1 8.256 0.004 . 1 . . . A 50 GLN H . 18017 1
535 . 1 1 50 50 GLN HA H 1 3.898 0.004 . 1 . . . A 50 GLN HA . 18017 1
536 . 1 1 50 50 GLN HB2 H 1 2.323 0.005 . 2 . . . A 50 GLN HB2 . 18017 1
537 . 1 1 50 50 GLN HB3 H 1 2.372 0.004 . 2 . . . A 50 GLN HB3 . 18017 1
538 . 1 1 50 50 GLN HG2 H 1 2.240 0.039 . 1 . . . A 50 GLN HG2 . 18017 1
539 . 1 1 50 50 GLN HG3 H 1 2.240 0.039 . 1 . . . A 50 GLN HG3 . 18017 1
540 . 1 1 50 50 GLN HE21 H 1 6.794 0.002 . 2 . . . A 50 GLN HE21 . 18017 1
541 . 1 1 50 50 GLN HE22 H 1 7.437 0.156 . 2 . . . A 50 GLN HE22 . 18017 1
542 . 1 1 50 50 GLN C C 13 174.618 0.156 . 1 . . . A 50 GLN C . 18017 1
543 . 1 1 50 50 GLN CA C 13 57.397 0.112 . 1 . . . A 50 GLN CA . 18017 1
544 . 1 1 50 50 GLN CB C 13 26.124 0.060 . 1 . . . A 50 GLN CB . 18017 1
545 . 1 1 50 50 GLN CG C 13 33.853 0.061 . 1 . . . A 50 GLN CG . 18017 1
546 . 1 1 50 50 GLN N N 15 114.467 0.059 . 1 . . . A 50 GLN N . 18017 1
547 . 1 1 50 50 GLN NE2 N 15 113.374 0.016 . 1 . . . A 50 GLN NE2 . 18017 1
548 . 1 1 51 51 GLN H H 1 7.769 0.002 . 1 . . . A 51 GLN H . 18017 1
549 . 1 1 51 51 GLN HA H 1 4.519 0.004 . 1 . . . A 51 GLN HA . 18017 1
550 . 1 1 51 51 GLN HB2 H 1 1.809 0.005 . 2 . . . A 51 GLN HB2 . 18017 1
551 . 1 1 51 51 GLN HB3 H 1 2.031 0.003 . 2 . . . A 51 GLN HB3 . 18017 1
552 . 1 1 51 51 GLN HG2 H 1 2.204 0.002 . 2 . . . A 51 GLN HG2 . 18017 1
553 . 1 1 51 51 GLN HG3 H 1 2.309 0.005 . 2 . . . A 51 GLN HG3 . 18017 1
554 . 1 1 51 51 GLN HE21 H 1 6.855 0.001 . 2 . . . A 51 GLN HE21 . 18017 1
555 . 1 1 51 51 GLN HE22 H 1 7.480 0.001 . 2 . . . A 51 GLN HE22 . 18017 1
556 . 1 1 51 51 GLN C C 13 175.799 0.156 . 1 . . . A 51 GLN C . 18017 1
557 . 1 1 51 51 GLN CA C 13 54.428 0.105 . 1 . . . A 51 GLN CA . 18017 1
558 . 1 1 51 51 GLN CB C 13 30.296 0.126 . 1 . . . A 51 GLN CB . 18017 1
559 . 1 1 51 51 GLN CG C 13 33.936 0.047 . 1 . . . A 51 GLN CG . 18017 1
560 . 1 1 51 51 GLN N N 15 116.721 0.040 . 1 . . . A 51 GLN N . 18017 1
561 . 1 1 51 51 GLN NE2 N 15 111.766 0.037 . 1 . . . A 51 GLN NE2 . 18017 1
562 . 1 1 52 52 ASN H H 1 8.830 0.002 . 1 . . . A 52 ASN H . 18017 1
563 . 1 1 52 52 ASN HA H 1 4.708 0.004 . 1 . . . A 52 ASN HA . 18017 1
564 . 1 1 52 52 ASN HB2 H 1 2.574 0.002 . 2 . . . A 52 ASN HB2 . 18017 1
565 . 1 1 52 52 ASN HB3 H 1 3.020 0.007 . 2 . . . A 52 ASN HB3 . 18017 1
566 . 1 1 52 52 ASN HD21 H 1 7.315 0.002 . 2 . . . A 52 ASN HD21 . 18017 1
567 . 1 1 52 52 ASN HD22 H 1 7.887 0.002 . 2 . . . A 52 ASN HD22 . 18017 1
568 . 1 1 52 52 ASN C C 13 176.894 0.156 . 1 . . . A 52 ASN C . 18017 1
569 . 1 1 52 52 ASN CA C 13 53.998 0.088 . 1 . . . A 52 ASN CA . 18017 1
570 . 1 1 52 52 ASN CB C 13 37.331 0.088 . 1 . . . A 52 ASN CB . 18017 1
571 . 1 1 52 52 ASN N N 15 119.547 0.022 . 1 . . . A 52 ASN N . 18017 1
572 . 1 1 52 52 ASN ND2 N 15 114.056 0.033 . 1 . . . A 52 ASN ND2 . 18017 1
573 . 1 1 53 53 ARG H H 1 8.420 0.002 . 1 . . . A 53 ARG H . 18017 1
574 . 1 1 53 53 ARG HA H 1 4.203 0.004 . 1 . . . A 53 ARG HA . 18017 1
575 . 1 1 53 53 ARG HB2 H 1 1.190 0.003 . 2 . . . A 53 ARG HB2 . 18017 1
576 . 1 1 53 53 ARG HB3 H 1 1.840 0.003 . 2 . . . A 53 ARG HB3 . 18017 1
577 . 1 1 53 53 ARG HG2 H 1 1.594 0.004 . 1 . . . A 53 ARG HG2 . 18017 1
578 . 1 1 53 53 ARG HG3 H 1 1.594 0.004 . 1 . . . A 53 ARG HG3 . 18017 1
579 . 1 1 53 53 ARG HD2 H 1 3.155 0.001 . 2 . . . A 53 ARG HD2 . 18017 1
580 . 1 1 53 53 ARG HD3 H 1 3.229 0.003 . 2 . . . A 53 ARG HD3 . 18017 1
581 . 1 1 53 53 ARG HE H 1 7.319 0.003 . 1 . . . A 53 ARG HE . 18017 1
582 . 1 1 53 53 ARG C C 13 176.564 0.156 . 1 . . . A 53 ARG C . 18017 1
583 . 1 1 53 53 ARG CA C 13 57.098 0.123 . 1 . . . A 53 ARG CA . 18017 1
584 . 1 1 53 53 ARG CB C 13 30.886 0.054 . 1 . . . A 53 ARG CB . 18017 1
585 . 1 1 53 53 ARG CG C 13 27.695 0.058 . 1 . . . A 53 ARG CG . 18017 1
586 . 1 1 53 53 ARG CD C 13 42.874 0.055 . 1 . . . A 53 ARG CD . 18017 1
587 . 1 1 53 53 ARG N N 15 121.726 0.028 . 1 . . . A 53 ARG N . 18017 1
588 . 1 1 54 54 GLY H H 1 8.700 0.004 . 1 . . . A 54 GLY H . 18017 1
589 . 1 1 54 54 GLY HA2 H 1 3.942 0.004 . 2 . . . A 54 GLY HA2 . 18017 1
590 . 1 1 54 54 GLY HA3 H 1 4.555 0.008 . 2 . . . A 54 GLY HA3 . 18017 1
591 . 1 1 54 54 GLY C C 13 172.016 0.156 . 1 . . . A 54 GLY C . 18017 1
592 . 1 1 54 54 GLY CA C 13 44.902 0.150 . 1 . . . A 54 GLY CA . 18017 1
593 . 1 1 54 54 GLY N N 15 104.268 0.069 . 1 . . . A 54 GLY N . 18017 1
594 . 1 1 55 55 PHE H H 1 6.721 0.004 . 1 . . . A 55 PHE H . 18017 1
595 . 1 1 55 55 PHE HA H 1 5.969 0.012 . 1 . . . A 55 PHE HA . 18017 1
596 . 1 1 55 55 PHE HB2 H 1 2.697 0.003 . 2 . . . A 55 PHE HB2 . 18017 1
597 . 1 1 55 55 PHE HB3 H 1 3.000 0.008 . 2 . . . A 55 PHE HB3 . 18017 1
598 . 1 1 55 55 PHE HD1 H 1 6.691 0.002 . 3 . . . A 55 PHE HD1 . 18017 1
599 . 1 1 55 55 PHE HD2 H 1 6.693 0.156 . 3 . . . A 55 PHE HD2 . 18017 1
600 . 1 1 55 55 PHE C C 13 174.358 0.156 . 1 . . . A 55 PHE C . 18017 1
601 . 1 1 55 55 PHE CA C 13 53.939 0.109 . 1 . . . A 55 PHE CA . 18017 1
602 . 1 1 55 55 PHE CB C 13 42.087 0.056 . 1 . . . A 55 PHE CB . 18017 1
603 . 1 1 55 55 PHE N N 15 114.641 0.032 . 1 . . . A 55 PHE N . 18017 1
604 . 1 1 56 56 ALA H H 1 8.979 0.002 . 1 . . . A 56 ALA H . 18017 1
605 . 1 1 56 56 ALA HA H 1 5.095 0.007 . 1 . . . A 56 ALA HA . 18017 1
606 . 1 1 56 56 ALA HB1 H 1 1.045 0.006 . 1 . . . A 56 ALA HB1 . 18017 1
607 . 1 1 56 56 ALA HB2 H 1 1.045 0.006 . 1 . . . A 56 ALA HB2 . 18017 1
608 . 1 1 56 56 ALA HB3 H 1 1.045 0.006 . 1 . . . A 56 ALA HB3 . 18017 1
609 . 1 1 56 56 ALA C C 13 174.558 0.156 . 1 . . . A 56 ALA C . 18017 1
610 . 1 1 56 56 ALA CA C 13 49.927 0.199 . 1 . . . A 56 ALA CA . 18017 1
611 . 1 1 56 56 ALA CB C 13 22.945 0.072 . 1 . . . A 56 ALA CB . 18017 1
612 . 1 1 56 56 ALA N N 15 122.120 0.005 . 1 . . . A 56 ALA N . 18017 1
613 . 1 1 57 57 PHE H H 1 8.778 0.003 . 1 . . . A 57 PHE H . 18017 1
614 . 1 1 57 57 PHE HA H 1 5.511 0.004 . 1 . . . A 57 PHE HA . 18017 1
615 . 1 1 57 57 PHE HB2 H 1 2.826 0.003 . 2 . . . A 57 PHE HB2 . 18017 1
616 . 1 1 57 57 PHE HB3 H 1 2.918 0.003 . 2 . . . A 57 PHE HB3 . 18017 1
617 . 1 1 57 57 PHE HD1 H 1 7.104 0.004 . 3 . . . A 57 PHE HD1 . 18017 1
618 . 1 1 57 57 PHE HD2 H 1 7.099 0.156 . 3 . . . A 57 PHE HD2 . 18017 1
619 . 1 1 57 57 PHE HE1 H 1 7.107 0.156 . 3 . . . A 57 PHE HE1 . 18017 1
620 . 1 1 57 57 PHE HE2 H 1 7.105 0.156 . 3 . . . A 57 PHE HE2 . 18017 1
621 . 1 1 57 57 PHE C C 13 175.516 0.156 . 1 . . . A 57 PHE C . 18017 1
622 . 1 1 57 57 PHE CA C 13 56.253 0.109 . 1 . . . A 57 PHE CA . 18017 1
623 . 1 1 57 57 PHE CB C 13 41.611 0.055 . 1 . . . A 57 PHE CB . 18017 1
624 . 1 1 57 57 PHE N N 15 118.763 0.026 . 1 . . . A 57 PHE N . 18017 1
625 . 1 1 58 58 VAL H H 1 9.312 0.003 . 1 . . . A 58 VAL H . 18017 1
626 . 1 1 58 58 VAL HA H 1 4.781 0.007 . 1 . . . A 58 VAL HA . 18017 1
627 . 1 1 58 58 VAL HB H 1 1.920 0.004 . 1 . . . A 58 VAL HB . 18017 1
628 . 1 1 58 58 VAL HG11 H 1 0.706 0.001 . 1 . . . A 58 VAL HG11 . 18017 1
629 . 1 1 58 58 VAL HG12 H 1 0.706 0.001 . 1 . . . A 58 VAL HG12 . 18017 1
630 . 1 1 58 58 VAL HG13 H 1 0.706 0.001 . 1 . . . A 58 VAL HG13 . 18017 1
631 . 1 1 58 58 VAL HG21 H 1 0.696 0.002 . 1 . . . A 58 VAL HG21 . 18017 1
632 . 1 1 58 58 VAL HG22 H 1 0.696 0.002 . 1 . . . A 58 VAL HG22 . 18017 1
633 . 1 1 58 58 VAL HG23 H 1 0.696 0.002 . 1 . . . A 58 VAL HG23 . 18017 1
634 . 1 1 58 58 VAL C C 13 173.444 0.156 . 1 . . . A 58 VAL C . 18017 1
635 . 1 1 58 58 VAL CA C 13 61.179 0.198 . 1 . . . A 58 VAL CA . 18017 1
636 . 1 1 58 58 VAL CB C 13 33.526 0.152 . 1 . . . A 58 VAL CB . 18017 1
637 . 1 1 58 58 VAL CG1 C 13 21.656 0.010 . 2 . . . A 58 VAL CG1 . 18017 1
638 . 1 1 58 58 VAL CG2 C 13 20.578 0.012 . 2 . . . A 58 VAL CG2 . 18017 1
639 . 1 1 58 58 VAL N N 15 123.023 0.012 . 1 . . . A 58 VAL N . 18017 1
640 . 1 1 59 59 GLN H H 1 8.907 0.002 . 1 . . . A 59 GLN H . 18017 1
641 . 1 1 59 59 GLN HA H 1 4.888 0.008 . 1 . . . A 59 GLN HA . 18017 1
642 . 1 1 59 59 GLN HB2 H 1 1.803 0.002 . 2 . . . A 59 GLN HB2 . 18017 1
643 . 1 1 59 59 GLN HB3 H 1 2.099 0.009 . 2 . . . A 59 GLN HB3 . 18017 1
644 . 1 1 59 59 GLN HG2 H 1 2.206 0.005 . 2 . . . A 59 GLN HG2 . 18017 1
645 . 1 1 59 59 GLN HG3 H 1 2.266 0.004 . 2 . . . A 59 GLN HG3 . 18017 1
646 . 1 1 59 59 GLN HE21 H 1 6.582 0.156 . 2 . . . A 59 GLN HE21 . 18017 1
647 . 1 1 59 59 GLN HE22 H 1 7.721 0.001 . 2 . . . A 59 GLN HE22 . 18017 1
648 . 1 1 59 59 GLN C C 13 174.677 0.156 . 1 . . . A 59 GLN C . 18017 1
649 . 1 1 59 59 GLN CA C 13 55.204 0.164 . 1 . . . A 59 GLN CA . 18017 1
650 . 1 1 59 59 GLN CB C 13 30.326 0.188 . 1 . . . A 59 GLN CB . 18017 1
651 . 1 1 59 59 GLN CG C 13 33.350 0.059 . 1 . . . A 59 GLN CG . 18017 1
652 . 1 1 59 59 GLN N N 15 129.498 0.021 . 1 . . . A 59 GLN N . 18017 1
653 . 1 1 59 59 GLN NE2 N 15 112.619 0.023 . 1 . . . A 59 GLN NE2 . 18017 1
654 . 1 1 60 60 LEU H H 1 8.774 0.002 . 1 . . . A 60 LEU H . 18017 1
655 . 1 1 60 60 LEU HA H 1 4.862 0.005 . 1 . . . A 60 LEU HA . 18017 1
656 . 1 1 60 60 LEU HB2 H 1 1.855 0.006 . 2 . . . A 60 LEU HB2 . 18017 1
657 . 1 1 60 60 LEU HB3 H 1 2.190 0.005 . 2 . . . A 60 LEU HB3 . 18017 1
658 . 1 1 60 60 LEU HG H 1 1.669 0.005 . 1 . . . A 60 LEU HG . 18017 1
659 . 1 1 60 60 LEU HD11 H 1 0.944 0.001 . 1 . . . A 60 LEU HD11 . 18017 1
660 . 1 1 60 60 LEU HD12 H 1 0.944 0.001 . 1 . . . A 60 LEU HD12 . 18017 1
661 . 1 1 60 60 LEU HD13 H 1 0.944 0.001 . 1 . . . A 60 LEU HD13 . 18017 1
662 . 1 1 60 60 LEU HD21 H 1 0.922 0.007 . 1 . . . A 60 LEU HD21 . 18017 1
663 . 1 1 60 60 LEU HD22 H 1 0.922 0.007 . 1 . . . A 60 LEU HD22 . 18017 1
664 . 1 1 60 60 LEU HD23 H 1 0.922 0.007 . 1 . . . A 60 LEU HD23 . 18017 1
665 . 1 1 60 60 LEU C C 13 177.248 0.156 . 1 . . . A 60 LEU C . 18017 1
666 . 1 1 60 60 LEU CA C 13 53.243 0.106 . 1 . . . A 60 LEU CA . 18017 1
667 . 1 1 60 60 LEU CB C 13 41.995 0.041 . 1 . . . A 60 LEU CB . 18017 1
668 . 1 1 60 60 LEU CG C 13 29.258 0.026 . 1 . . . A 60 LEU CG . 18017 1
669 . 1 1 60 60 LEU CD1 C 13 25.241 0.033 . 2 . . . A 60 LEU CD1 . 18017 1
670 . 1 1 60 60 LEU CD2 C 13 23.954 0.017 . 2 . . . A 60 LEU CD2 . 18017 1
671 . 1 1 60 60 LEU N N 15 127.718 0.019 . 1 . . . A 60 LEU N . 18017 1
672 . 1 1 61 61 SER H H 1 8.792 0.002 . 1 . . . A 61 SER H . 18017 1
673 . 1 1 61 61 SER HA H 1 4.192 0.002 . 1 . . . A 61 SER HA . 18017 1
674 . 1 1 61 61 SER HB2 H 1 3.966 0.001 . 2 . . . A 61 SER HB2 . 18017 1
675 . 1 1 61 61 SER HB3 H 1 4.009 0.002 . 2 . . . A 61 SER HB3 . 18017 1
676 . 1 1 61 61 SER C C 13 173.839 0.156 . 1 . . . A 61 SER C . 18017 1
677 . 1 1 61 61 SER CA C 13 60.890 0.168 . 1 . . . A 61 SER CA . 18017 1
678 . 1 1 61 61 SER CB C 13 63.642 0.125 . 1 . . . A 61 SER CB . 18017 1
679 . 1 1 61 61 SER N N 15 112.701 0.067 . 1 . . . A 61 SER N . 18017 1
680 . 1 1 62 62 SER H H 1 7.550 0.002 . 1 . . . A 62 SER H . 18017 1
681 . 1 1 62 62 SER HA H 1 4.770 0.002 . 1 . . . A 62 SER HA . 18017 1
682 . 1 1 62 62 SER HB2 H 1 4.044 0.004 . 2 . . . A 62 SER HB2 . 18017 1
683 . 1 1 62 62 SER HB3 H 1 4.172 0.004 . 2 . . . A 62 SER HB3 . 18017 1
684 . 1 1 62 62 SER C C 13 174.043 0.156 . 1 . . . A 62 SER C . 18017 1
685 . 1 1 62 62 SER CA C 13 56.839 0.125 . 1 . . . A 62 SER CA . 18017 1
686 . 1 1 62 62 SER CB C 13 66.356 0.073 . 1 . . . A 62 SER CB . 18017 1
687 . 1 1 62 62 SER N N 15 110.256 0.075 . 1 . . . A 62 SER N . 18017 1
688 . 1 1 63 63 ALA H H 1 9.151 0.003 . 1 . . . A 63 ALA H . 18017 1
689 . 1 1 63 63 ALA HA H 1 4.384 0.004 . 1 . . . A 63 ALA HA . 18017 1
690 . 1 1 63 63 ALA HB1 H 1 1.363 0.005 . 1 . . . A 63 ALA HB1 . 18017 1
691 . 1 1 63 63 ALA HB2 H 1 1.363 0.005 . 1 . . . A 63 ALA HB2 . 18017 1
692 . 1 1 63 63 ALA HB3 H 1 1.363 0.005 . 1 . . . A 63 ALA HB3 . 18017 1
693 . 1 1 63 63 ALA C C 13 180.168 0.156 . 1 . . . A 63 ALA C . 18017 1
694 . 1 1 63 63 ALA CA C 13 54.544 0.089 . 1 . . . A 63 ALA CA . 18017 1
695 . 1 1 63 63 ALA CB C 13 18.284 0.017 . 1 . . . A 63 ALA CB . 18017 1
696 . 1 1 63 63 ALA N N 15 125.064 0.014 . 1 . . . A 63 ALA N . 18017 1
697 . 1 1 64 64 MET H H 1 8.423 0.003 . 1 . . . A 64 MET H . 18017 1
698 . 1 1 64 64 MET HA H 1 4.270 0.004 . 1 . . . A 64 MET HA . 18017 1
699 . 1 1 64 64 MET HB2 H 1 2.064 0.004 . 2 . . . A 64 MET HB2 . 18017 1
700 . 1 1 64 64 MET HB3 H 1 2.578 0.004 . 2 . . . A 64 MET HB3 . 18017 1
701 . 1 1 64 64 MET HG2 H 1 2.059 0.001 . 1 . . . A 64 MET HG2 . 18017 1
702 . 1 1 64 64 MET HG3 H 1 2.059 0.001 . 1 . . . A 64 MET HG3 . 18017 1
703 . 1 1 64 64 MET HE1 H 1 2.079 0.156 . 1 . . . A 64 MET HE1 . 18017 1
704 . 1 1 64 64 MET HE2 H 1 2.079 0.156 . 1 . . . A 64 MET HE2 . 18017 1
705 . 1 1 64 64 MET HE3 H 1 2.079 0.156 . 1 . . . A 64 MET HE3 . 18017 1
706 . 1 1 64 64 MET C C 13 178.312 0.156 . 1 . . . A 64 MET C . 18017 1
707 . 1 1 64 64 MET CA C 13 58.653 0.134 . 1 . . . A 64 MET CA . 18017 1
708 . 1 1 64 64 MET CB C 13 32.010 0.145 . 1 . . . A 64 MET CB . 18017 1
709 . 1 1 64 64 MET CG C 13 31.642 0.008 . 1 . . . A 64 MET CG . 18017 1
710 . 1 1 64 64 MET CE C 13 16.902 0.156 . 1 . . . A 64 MET CE . 18017 1
711 . 1 1 64 64 MET N N 15 119.416 0.047 . 1 . . . A 64 MET N . 18017 1
712 . 1 1 65 65 ASP H H 1 7.984 0.004 . 1 . . . A 65 ASP H . 18017 1
713 . 1 1 65 65 ASP HA H 1 4.415 0.004 . 1 . . . A 65 ASP HA . 18017 1
714 . 1 1 65 65 ASP HB2 H 1 2.701 0.003 . 1 . . . A 65 ASP HB2 . 18017 1
715 . 1 1 65 65 ASP HB3 H 1 2.701 0.003 . 1 . . . A 65 ASP HB3 . 18017 1
716 . 1 1 65 65 ASP C C 13 179.109 0.156 . 1 . . . A 65 ASP C . 18017 1
717 . 1 1 65 65 ASP CA C 13 57.239 0.160 . 1 . . . A 65 ASP CA . 18017 1
718 . 1 1 65 65 ASP CB C 13 40.947 0.040 . 1 . . . A 65 ASP CB . 18017 1
719 . 1 1 65 65 ASP N N 15 120.309 0.029 . 1 . . . A 65 ASP N . 18017 1
720 . 1 1 66 66 ALA H H 1 8.023 0.004 . 1 . . . A 66 ALA H . 18017 1
721 . 1 1 66 66 ALA HA H 1 4.027 0.003 . 1 . . . A 66 ALA HA . 18017 1
722 . 1 1 66 66 ALA HB1 H 1 1.686 0.007 . 1 . . . A 66 ALA HB1 . 18017 1
723 . 1 1 66 66 ALA HB2 H 1 1.686 0.007 . 1 . . . A 66 ALA HB2 . 18017 1
724 . 1 1 66 66 ALA HB3 H 1 1.686 0.007 . 1 . . . A 66 ALA HB3 . 18017 1
725 . 1 1 66 66 ALA C C 13 178.172 0.156 . 1 . . . A 66 ALA C . 18017 1
726 . 1 1 66 66 ALA CA C 13 55.789 0.085 . 1 . . . A 66 ALA CA . 18017 1
727 . 1 1 66 66 ALA CB C 13 18.267 0.023 . 1 . . . A 66 ALA CB . 18017 1
728 . 1 1 66 66 ALA N N 15 122.883 0.017 . 1 . . . A 66 ALA N . 18017 1
729 . 1 1 67 67 SER H H 1 8.562 0.003 . 1 . . . A 67 SER H . 18017 1
730 . 1 1 67 67 SER HA H 1 4.228 0.020 . 1 . . . A 67 SER HA . 18017 1
731 . 1 1 67 67 SER HB2 H 1 4.135 0.002 . 2 . . . A 67 SER HB2 . 18017 1
732 . 1 1 67 67 SER HB3 H 1 4.185 0.156 . 2 . . . A 67 SER HB3 . 18017 1
733 . 1 1 67 67 SER C C 13 177.181 0.156 . 1 . . . A 67 SER C . 18017 1
734 . 1 1 67 67 SER CA C 13 62.615 0.039 . 1 . . . A 67 SER CA . 18017 1
735 . 1 1 67 67 SER CB C 13 62.644 0.079 . 1 . . . A 67 SER CB . 18017 1
736 . 1 1 67 67 SER N N 15 112.975 0.066 . 1 . . . A 67 SER N . 18017 1
737 . 1 1 68 68 GLN H H 1 8.175 0.005 . 1 . . . A 68 GLN H . 18017 1
738 . 1 1 68 68 GLN HA H 1 4.093 0.002 . 1 . . . A 68 GLN HA . 18017 1
739 . 1 1 68 68 GLN HB2 H 1 2.144 0.003 . 2 . . . A 68 GLN HB2 . 18017 1
740 . 1 1 68 68 GLN HB3 H 1 2.224 0.002 . 2 . . . A 68 GLN HB3 . 18017 1
741 . 1 1 68 68 GLN HG2 H 1 2.410 0.002 . 2 . . . A 68 GLN HG2 . 18017 1
742 . 1 1 68 68 GLN HG3 H 1 2.552 0.005 . 2 . . . A 68 GLN HG3 . 18017 1
743 . 1 1 68 68 GLN HE21 H 1 6.877 0.002 . 2 . . . A 68 GLN HE21 . 18017 1
744 . 1 1 68 68 GLN HE22 H 1 7.442 0.001 . 2 . . . A 68 GLN HE22 . 18017 1
745 . 1 1 68 68 GLN C C 13 178.197 0.156 . 1 . . . A 68 GLN C . 18017 1
746 . 1 1 68 68 GLN CA C 13 58.937 0.124 . 1 . . . A 68 GLN CA . 18017 1
747 . 1 1 68 68 GLN CB C 13 28.564 0.091 . 1 . . . A 68 GLN CB . 18017 1
748 . 1 1 68 68 GLN CG C 13 34.266 0.058 . 1 . . . A 68 GLN CG . 18017 1
749 . 1 1 68 68 GLN N N 15 120.520 0.013 . 1 . . . A 68 GLN N . 18017 1
750 . 1 1 68 68 GLN NE2 N 15 111.730 0.036 . 1 . . . A 68 GLN NE2 . 18017 1
751 . 1 1 69 69 LEU H H 1 7.924 0.003 . 1 . . . A 69 LEU H . 18017 1
752 . 1 1 69 69 LEU HA H 1 4.194 0.003 . 1 . . . A 69 LEU HA . 18017 1
753 . 1 1 69 69 LEU HB2 H 1 1.628 0.007 . 2 . . . A 69 LEU HB2 . 18017 1
754 . 1 1 69 69 LEU HB3 H 1 1.827 0.006 . 2 . . . A 69 LEU HB3 . 18017 1
755 . 1 1 69 69 LEU HG H 1 1.380 0.005 . 1 . . . A 69 LEU HG . 18017 1
756 . 1 1 69 69 LEU HD11 H 1 0.854 0.007 . 1 . . . A 69 LEU HD11 . 18017 1
757 . 1 1 69 69 LEU HD12 H 1 0.854 0.007 . 1 . . . A 69 LEU HD12 . 18017 1
758 . 1 1 69 69 LEU HD13 H 1 0.854 0.007 . 1 . . . A 69 LEU HD13 . 18017 1
759 . 1 1 69 69 LEU HD21 H 1 0.951 0.004 . 1 . . . A 69 LEU HD21 . 18017 1
760 . 1 1 69 69 LEU HD22 H 1 0.951 0.004 . 1 . . . A 69 LEU HD22 . 18017 1
761 . 1 1 69 69 LEU HD23 H 1 0.951 0.004 . 1 . . . A 69 LEU HD23 . 18017 1
762 . 1 1 69 69 LEU C C 13 177.898 0.156 . 1 . . . A 69 LEU C . 18017 1
763 . 1 1 69 69 LEU CA C 13 57.533 0.103 . 1 . . . A 69 LEU CA . 18017 1
764 . 1 1 69 69 LEU CB C 13 40.602 0.036 . 1 . . . A 69 LEU CB . 18017 1
765 . 1 1 69 69 LEU CG C 13 27.104 0.187 . 1 . . . A 69 LEU CG . 18017 1
766 . 1 1 69 69 LEU CD1 C 13 26.822 0.033 . 2 . . . A 69 LEU CD1 . 18017 1
767 . 1 1 69 69 LEU CD2 C 13 23.550 0.014 . 2 . . . A 69 LEU CD2 . 18017 1
768 . 1 1 69 69 LEU N N 15 119.631 0.018 . 1 . . . A 69 LEU N . 18017 1
769 . 1 1 70 70 LEU H H 1 8.405 0.003 . 1 . . . A 70 LEU H . 18017 1
770 . 1 1 70 70 LEU HA H 1 3.562 0.005 . 1 . . . A 70 LEU HA . 18017 1
771 . 1 1 70 70 LEU HB2 H 1 1.215 0.003 . 2 . . . A 70 LEU HB2 . 18017 1
772 . 1 1 70 70 LEU HB3 H 1 1.541 0.006 . 2 . . . A 70 LEU HB3 . 18017 1
773 . 1 1 70 70 LEU HG H 1 1.145 0.016 . 1 . . . A 70 LEU HG . 18017 1
774 . 1 1 70 70 LEU HD11 H 1 0.300 0.003 . 1 . . . A 70 LEU HD11 . 18017 1
775 . 1 1 70 70 LEU HD12 H 1 0.300 0.003 . 1 . . . A 70 LEU HD12 . 18017 1
776 . 1 1 70 70 LEU HD13 H 1 0.300 0.003 . 1 . . . A 70 LEU HD13 . 18017 1
777 . 1 1 70 70 LEU HD21 H 1 0.156 0.002 . 1 . . . A 70 LEU HD21 . 18017 1
778 . 1 1 70 70 LEU HD22 H 1 0.156 0.002 . 1 . . . A 70 LEU HD22 . 18017 1
779 . 1 1 70 70 LEU HD23 H 1 0.156 0.002 . 1 . . . A 70 LEU HD23 . 18017 1
780 . 1 1 70 70 LEU C C 13 177.977 0.156 . 1 . . . A 70 LEU C . 18017 1
781 . 1 1 70 70 LEU CA C 13 59.204 0.045 . 1 . . . A 70 LEU CA . 18017 1
782 . 1 1 70 70 LEU CB C 13 41.189 0.037 . 1 . . . A 70 LEU CB . 18017 1
783 . 1 1 70 70 LEU CG C 13 26.380 0.015 . 1 . . . A 70 LEU CG . 18017 1
784 . 1 1 70 70 LEU CD1 C 13 25.052 0.012 . 2 . . . A 70 LEU CD1 . 18017 1
785 . 1 1 70 70 LEU CD2 C 13 24.818 0.021 . 2 . . . A 70 LEU CD2 . 18017 1
786 . 1 1 70 70 LEU N N 15 119.649 0.027 . 1 . . . A 70 LEU N . 18017 1
787 . 1 1 71 71 GLN H H 1 7.768 0.003 . 1 . . . A 71 GLN H . 18017 1
788 . 1 1 71 71 GLN HA H 1 3.938 0.003 . 1 . . . A 71 GLN HA . 18017 1
789 . 1 1 71 71 GLN HB2 H 1 2.138 0.005 . 1 . . . A 71 GLN HB2 . 18017 1
790 . 1 1 71 71 GLN HB3 H 1 2.138 0.005 . 1 . . . A 71 GLN HB3 . 18017 1
791 . 1 1 71 71 GLN HG2 H 1 2.326 0.006 . 2 . . . A 71 GLN HG2 . 18017 1
792 . 1 1 71 71 GLN HG3 H 1 2.508 0.012 . 2 . . . A 71 GLN HG3 . 18017 1
793 . 1 1 71 71 GLN HE21 H 1 6.807 0.001 . 2 . . . A 71 GLN HE21 . 18017 1
794 . 1 1 71 71 GLN HE22 H 1 7.313 0.156 . 2 . . . A 71 GLN HE22 . 18017 1
795 . 1 1 71 71 GLN C C 13 179.411 0.156 . 1 . . . A 71 GLN C . 18017 1
796 . 1 1 71 71 GLN CA C 13 59.029 0.126 . 1 . . . A 71 GLN CA . 18017 1
797 . 1 1 71 71 GLN CB C 13 28.425 0.080 . 1 . . . A 71 GLN CB . 18017 1
798 . 1 1 71 71 GLN CG C 13 34.118 0.069 . 1 . . . A 71 GLN CG . 18017 1
799 . 1 1 71 71 GLN N N 15 116.221 0.050 . 1 . . . A 71 GLN N . 18017 1
800 . 1 1 71 71 GLN NE2 N 15 111.526 0.052 . 1 . . . A 71 GLN NE2 . 18017 1
801 . 1 1 72 72 ILE H H 1 7.813 0.004 . 1 . . . A 72 ILE H . 18017 1
802 . 1 1 72 72 ILE HA H 1 3.605 0.002 . 1 . . . A 72 ILE HA . 18017 1
803 . 1 1 72 72 ILE HB H 1 1.907 0.004 . 1 . . . A 72 ILE HB . 18017 1
804 . 1 1 72 72 ILE HG12 H 1 1.102 0.007 . 2 . . . A 72 ILE HG12 . 18017 1
805 . 1 1 72 72 ILE HG13 H 1 1.785 0.009 . 2 . . . A 72 ILE HG13 . 18017 1
806 . 1 1 72 72 ILE HG21 H 1 0.597 0.004 . 1 . . . A 72 ILE HG21 . 18017 1
807 . 1 1 72 72 ILE HG22 H 1 0.597 0.004 . 1 . . . A 72 ILE HG22 . 18017 1
808 . 1 1 72 72 ILE HG23 H 1 0.597 0.004 . 1 . . . A 72 ILE HG23 . 18017 1
809 . 1 1 72 72 ILE HD11 H 1 0.957 0.005 . 1 . . . A 72 ILE HD11 . 18017 1
810 . 1 1 72 72 ILE HD12 H 1 0.957 0.005 . 1 . . . A 72 ILE HD12 . 18017 1
811 . 1 1 72 72 ILE HD13 H 1 0.957 0.005 . 1 . . . A 72 ILE HD13 . 18017 1
812 . 1 1 72 72 ILE C C 13 179.379 0.156 . 1 . . . A 72 ILE C . 18017 1
813 . 1 1 72 72 ILE CA C 13 64.659 0.108 . 1 . . . A 72 ILE CA . 18017 1
814 . 1 1 72 72 ILE CB C 13 38.253 0.101 . 1 . . . A 72 ILE CB . 18017 1
815 . 1 1 72 72 ILE CG1 C 13 29.180 0.094 . 1 . . . A 72 ILE CG1 . 18017 1
816 . 1 1 72 72 ILE CG2 C 13 16.974 0.032 . 1 . . . A 72 ILE CG2 . 18017 1
817 . 1 1 72 72 ILE CD1 C 13 13.584 0.016 . 1 . . . A 72 ILE CD1 . 18017 1
818 . 1 1 72 72 ILE N N 15 120.460 0.020 . 1 . . . A 72 ILE N . 18017 1
819 . 1 1 73 73 LEU H H 1 8.559 0.002 . 1 . . . A 73 LEU H . 18017 1
820 . 1 1 73 73 LEU HA H 1 3.796 0.002 . 1 . . . A 73 LEU HA . 18017 1
821 . 1 1 73 73 LEU HB2 H 1 1.224 0.021 . 2 . . . A 73 LEU HB2 . 18017 1
822 . 1 1 73 73 LEU HB3 H 1 1.815 0.007 . 2 . . . A 73 LEU HB3 . 18017 1
823 . 1 1 73 73 LEU HG H 1 1.912 0.006 . 1 . . . A 73 LEU HG . 18017 1
824 . 1 1 73 73 LEU HD11 H 1 0.679 0.009 . 1 . . . A 73 LEU HD11 . 18017 1
825 . 1 1 73 73 LEU HD12 H 1 0.679 0.009 . 1 . . . A 73 LEU HD12 . 18017 1
826 . 1 1 73 73 LEU HD13 H 1 0.679 0.009 . 1 . . . A 73 LEU HD13 . 18017 1
827 . 1 1 73 73 LEU HD21 H 1 0.522 0.004 . 1 . . . A 73 LEU HD21 . 18017 1
828 . 1 1 73 73 LEU HD22 H 1 0.522 0.004 . 1 . . . A 73 LEU HD22 . 18017 1
829 . 1 1 73 73 LEU HD23 H 1 0.522 0.004 . 1 . . . A 73 LEU HD23 . 18017 1
830 . 1 1 73 73 LEU C C 13 179.986 0.156 . 1 . . . A 73 LEU C . 18017 1
831 . 1 1 73 73 LEU CA C 13 57.497 0.118 . 1 . . . A 73 LEU CA . 18017 1
832 . 1 1 73 73 LEU CB C 13 41.805 0.024 . 1 . . . A 73 LEU CB . 18017 1
833 . 1 1 73 73 LEU CG C 13 26.066 0.056 . 1 . . . A 73 LEU CG . 18017 1
834 . 1 1 73 73 LEU CD1 C 13 22.327 0.019 . 2 . . . A 73 LEU CD1 . 18017 1
835 . 1 1 73 73 LEU CD2 C 13 22.148 0.008 . 2 . . . A 73 LEU CD2 . 18017 1
836 . 1 1 73 73 LEU N N 15 117.930 0.029 . 1 . . . A 73 LEU N . 18017 1
837 . 1 1 74 74 GLN H H 1 8.532 0.001 . 1 . . . A 74 GLN H . 18017 1
838 . 1 1 74 74 GLN HA H 1 4.078 0.002 . 1 . . . A 74 GLN HA . 18017 1
839 . 1 1 74 74 GLN HB2 H 1 2.038 0.004 . 1 . . . A 74 GLN HB2 . 18017 1
840 . 1 1 74 74 GLN HB3 H 1 2.038 0.004 . 1 . . . A 74 GLN HB3 . 18017 1
841 . 1 1 74 74 GLN HG2 H 1 2.349 0.002 . 2 . . . A 74 GLN HG2 . 18017 1
842 . 1 1 74 74 GLN HG3 H 1 2.557 0.004 . 2 . . . A 74 GLN HG3 . 18017 1
843 . 1 1 74 74 GLN HE21 H 1 6.877 0.001 . 2 . . . A 74 GLN HE21 . 18017 1
844 . 1 1 74 74 GLN HE22 H 1 7.120 0.002 . 2 . . . A 74 GLN HE22 . 18017 1
845 . 1 1 74 74 GLN C C 13 177.298 0.156 . 1 . . . A 74 GLN C . 18017 1
846 . 1 1 74 74 GLN CA C 13 58.250 0.121 . 1 . . . A 74 GLN CA . 18017 1
847 . 1 1 74 74 GLN CB C 13 28.302 0.107 . 1 . . . A 74 GLN CB . 18017 1
848 . 1 1 74 74 GLN CG C 13 34.534 0.073 . 1 . . . A 74 GLN CG . 18017 1
849 . 1 1 74 74 GLN N N 15 115.826 0.030 . 1 . . . A 74 GLN N . 18017 1
850 . 1 1 74 74 GLN NE2 N 15 110.495 0.035 . 1 . . . A 74 GLN NE2 . 18017 1
851 . 1 1 75 75 SER H H 1 7.440 0.002 . 1 . . . A 75 SER H . 18017 1
852 . 1 1 75 75 SER HA H 1 4.507 0.003 . 1 . . . A 75 SER HA . 18017 1
853 . 1 1 75 75 SER HB2 H 1 3.970 0.005 . 1 . . . A 75 SER HB2 . 18017 1
854 . 1 1 75 75 SER HB3 H 1 3.970 0.005 . 1 . . . A 75 SER HB3 . 18017 1
855 . 1 1 75 75 SER C C 13 173.692 0.156 . 1 . . . A 75 SER C . 18017 1
856 . 1 1 75 75 SER CA C 13 58.407 0.088 . 1 . . . A 75 SER CA . 18017 1
857 . 1 1 75 75 SER CB C 13 64.275 0.100 . 1 . . . A 75 SER CB . 18017 1
858 . 1 1 75 75 SER N N 15 113.277 0.068 . 1 . . . A 75 SER N . 18017 1
859 . 1 1 76 76 LEU H H 1 6.786 0.002 . 1 . . . A 76 LEU H . 18017 1
860 . 1 1 76 76 LEU HA H 1 3.987 0.003 . 1 . . . A 76 LEU HA . 18017 1
861 . 1 1 76 76 LEU HB2 H 1 1.527 0.007 . 2 . . . A 76 LEU HB2 . 18017 1
862 . 1 1 76 76 LEU HB3 H 1 1.629 0.002 . 2 . . . A 76 LEU HB3 . 18017 1
863 . 1 1 76 76 LEU HG H 1 1.917 0.003 . 1 . . . A 76 LEU HG . 18017 1
864 . 1 1 76 76 LEU HD11 H 1 0.712 0.006 . 1 . . . A 76 LEU HD11 . 18017 1
865 . 1 1 76 76 LEU HD12 H 1 0.712 0.006 . 1 . . . A 76 LEU HD12 . 18017 1
866 . 1 1 76 76 LEU HD13 H 1 0.712 0.006 . 1 . . . A 76 LEU HD13 . 18017 1
867 . 1 1 76 76 LEU HD21 H 1 0.672 0.003 . 1 . . . A 76 LEU HD21 . 18017 1
868 . 1 1 76 76 LEU HD22 H 1 0.672 0.003 . 1 . . . A 76 LEU HD22 . 18017 1
869 . 1 1 76 76 LEU HD23 H 1 0.672 0.003 . 1 . . . A 76 LEU HD23 . 18017 1
870 . 1 1 76 76 LEU C C 13 176.401 0.156 . 1 . . . A 76 LEU C . 18017 1
871 . 1 1 76 76 LEU CA C 13 56.010 0.120 . 1 . . . A 76 LEU CA . 18017 1
872 . 1 1 76 76 LEU CB C 13 42.701 0.029 . 1 . . . A 76 LEU CB . 18017 1
873 . 1 1 76 76 LEU CG C 13 25.649 0.070 . 1 . . . A 76 LEU CG . 18017 1
874 . 1 1 76 76 LEU CD1 C 13 25.446 0.034 . 2 . . . A 76 LEU CD1 . 18017 1
875 . 1 1 76 76 LEU CD2 C 13 22.334 0.053 . 2 . . . A 76 LEU CD2 . 18017 1
876 . 1 1 76 76 LEU N N 15 123.030 0.015 . 1 . . . A 76 LEU N . 18017 1
877 . 1 1 77 77 HIS H H 1 8.357 0.003 . 1 . . . A 77 HIS H . 18017 1
878 . 1 1 77 77 HIS HA H 1 4.493 0.002 . 1 . . . A 77 HIS HA . 18017 1
879 . 1 1 77 77 HIS HB2 H 1 2.972 0.006 . 2 . . . A 77 HIS HB2 . 18017 1
880 . 1 1 77 77 HIS HB3 H 1 3.050 0.005 . 2 . . . A 77 HIS HB3 . 18017 1
881 . 1 1 77 77 HIS CA C 13 53.740 0.156 . 1 . . . A 77 HIS CA . 18017 1
882 . 1 1 77 77 HIS CB C 13 31.580 0.091 . 1 . . . A 77 HIS CB . 18017 1
883 . 1 1 77 77 HIS N N 15 120.900 0.023 . 1 . . . A 77 HIS N . 18017 1
884 . 1 1 78 78 PRO HA H 1 4.627 0.003 . 1 . . . A 78 PRO HA . 18017 1
885 . 1 1 78 78 PRO HB2 H 1 2.359 0.004 . 2 . . . A 78 PRO HB2 . 18017 1
886 . 1 1 78 78 PRO HB3 H 1 2.043 0.005 . 2 . . . A 78 PRO HB3 . 18017 1
887 . 1 1 78 78 PRO HG2 H 1 1.913 0.156 . 1 . . . A 78 PRO HG2 . 18017 1
888 . 1 1 78 78 PRO HG3 H 1 1.913 0.156 . 1 . . . A 78 PRO HG3 . 18017 1
889 . 1 1 78 78 PRO HD2 H 1 3.507 0.156 . 2 . . . A 78 PRO HD2 . 18017 1
890 . 1 1 78 78 PRO HD3 H 1 3.736 0.001 . 2 . . . A 78 PRO HD3 . 18017 1
891 . 1 1 78 78 PRO CA C 13 62.448 0.006 . 1 . . . A 78 PRO CA . 18017 1
892 . 1 1 78 78 PRO CB C 13 32.844 0.103 . 1 . . . A 78 PRO CB . 18017 1
893 . 1 1 78 78 PRO CG C 13 27.683 0.156 . 1 . . . A 78 PRO CG . 18017 1
894 . 1 1 78 78 PRO CD C 13 50.149 0.156 . 1 . . . A 78 PRO CD . 18017 1
895 . 1 1 79 79 PRO HA H 1 4.231 0.004 . 1 . . . A 79 PRO HA . 18017 1
896 . 1 1 79 79 PRO HB2 H 1 2.352 0.006 . 2 . . . A 79 PRO HB2 . 18017 1
897 . 1 1 79 79 PRO HB3 H 1 1.822 0.005 . 2 . . . A 79 PRO HB3 . 18017 1
898 . 1 1 79 79 PRO HG2 H 1 1.895 0.156 . 2 . . . A 79 PRO HG2 . 18017 1
899 . 1 1 79 79 PRO HG3 H 1 2.002 0.002 . 2 . . . A 79 PRO HG3 . 18017 1
900 . 1 1 79 79 PRO HD2 H 1 3.508 0.003 . 2 . . . A 79 PRO HD2 . 18017 1
901 . 1 1 79 79 PRO HD3 H 1 3.737 0.003 . 2 . . . A 79 PRO HD3 . 18017 1
902 . 1 1 79 79 PRO C C 13 175.799 0.156 . 1 . . . A 79 PRO C . 18017 1
903 . 1 1 79 79 PRO CA C 13 62.624 0.119 . 1 . . . A 79 PRO CA . 18017 1
904 . 1 1 79 79 PRO CB C 13 32.593 0.078 . 1 . . . A 79 PRO CB . 18017 1
905 . 1 1 79 79 PRO CG C 13 27.638 0.094 . 1 . . . A 79 PRO CG . 18017 1
906 . 1 1 79 79 PRO CD C 13 50.153 0.070 . 1 . . . A 79 PRO CD . 18017 1
907 . 1 1 80 80 LEU H H 1 8.384 0.004 . 1 . . . A 80 LEU H . 18017 1
908 . 1 1 80 80 LEU HA H 1 3.971 0.003 . 1 . . . A 80 LEU HA . 18017 1
909 . 1 1 80 80 LEU HB2 H 1 1.300 0.004 . 2 . . . A 80 LEU HB2 . 18017 1
910 . 1 1 80 80 LEU HB3 H 1 1.774 0.012 . 2 . . . A 80 LEU HB3 . 18017 1
911 . 1 1 80 80 LEU HG H 1 1.300 0.002 . 1 . . . A 80 LEU HG . 18017 1
912 . 1 1 80 80 LEU HD11 H 1 0.880 0.005 . 1 . . . A 80 LEU HD11 . 18017 1
913 . 1 1 80 80 LEU HD12 H 1 0.880 0.005 . 1 . . . A 80 LEU HD12 . 18017 1
914 . 1 1 80 80 LEU HD13 H 1 0.880 0.005 . 1 . . . A 80 LEU HD13 . 18017 1
915 . 1 1 80 80 LEU HD21 H 1 0.693 0.004 . 1 . . . A 80 LEU HD21 . 18017 1
916 . 1 1 80 80 LEU HD22 H 1 0.693 0.004 . 1 . . . A 80 LEU HD22 . 18017 1
917 . 1 1 80 80 LEU HD23 H 1 0.693 0.004 . 1 . . . A 80 LEU HD23 . 18017 1
918 . 1 1 80 80 LEU C C 13 174.875 0.156 . 1 . . . A 80 LEU C . 18017 1
919 . 1 1 80 80 LEU CA C 13 56.171 0.093 . 1 . . . A 80 LEU CA . 18017 1
920 . 1 1 80 80 LEU CB C 13 42.675 0.019 . 1 . . . A 80 LEU CB . 18017 1
921 . 1 1 80 80 LEU CG C 13 26.840 0.198 . 1 . . . A 80 LEU CG . 18017 1
922 . 1 1 80 80 LEU CD1 C 13 23.194 0.018 . 2 . . . A 80 LEU CD1 . 18017 1
923 . 1 1 80 80 LEU CD2 C 13 26.457 0.029 . 2 . . . A 80 LEU CD2 . 18017 1
924 . 1 1 80 80 LEU N N 15 121.651 0.021 . 1 . . . A 80 LEU N . 18017 1
925 . 1 1 81 81 LYS H H 1 8.042 0.003 . 1 . . . A 81 LYS H . 18017 1
926 . 1 1 81 81 LYS HA H 1 5.450 0.006 . 1 . . . A 81 LYS HA . 18017 1
927 . 1 1 81 81 LYS HB2 H 1 1.358 0.004 . 2 . . . A 81 LYS HB2 . 18017 1
928 . 1 1 81 81 LYS HB3 H 1 1.564 0.006 . 2 . . . A 81 LYS HB3 . 18017 1
929 . 1 1 81 81 LYS HG2 H 1 1.078 0.008 . 2 . . . A 81 LYS HG2 . 18017 1
930 . 1 1 81 81 LYS HG3 H 1 1.268 0.004 . 2 . . . A 81 LYS HG3 . 18017 1
931 . 1 1 81 81 LYS HD2 H 1 1.456 0.005 . 1 . . . A 81 LYS HD2 . 18017 1
932 . 1 1 81 81 LYS HD3 H 1 1.456 0.005 . 1 . . . A 81 LYS HD3 . 18017 1
933 . 1 1 81 81 LYS HE2 H 1 2.812 0.004 . 1 . . . A 81 LYS HE2 . 18017 1
934 . 1 1 81 81 LYS HE3 H 1 2.812 0.004 . 1 . . . A 81 LYS HE3 . 18017 1
935 . 1 1 81 81 LYS C C 13 176.310 0.156 . 1 . . . A 81 LYS C . 18017 1
936 . 1 1 81 81 LYS CA C 13 54.328 0.112 . 1 . . . A 81 LYS CA . 18017 1
937 . 1 1 81 81 LYS CB C 13 36.323 0.021 . 1 . . . A 81 LYS CB . 18017 1
938 . 1 1 81 81 LYS CG C 13 24.619 0.033 . 1 . . . A 81 LYS CG . 18017 1
939 . 1 1 81 81 LYS CD C 13 29.713 0.078 . 1 . . . A 81 LYS CD . 18017 1
940 . 1 1 81 81 LYS CE C 13 41.717 0.188 . 1 . . . A 81 LYS CE . 18017 1
941 . 1 1 81 81 LYS N N 15 126.172 0.010 . 1 . . . A 81 LYS N . 18017 1
942 . 1 1 82 82 ILE H H 1 8.228 0.004 . 1 . . . A 82 ILE H . 18017 1
943 . 1 1 82 82 ILE HA H 1 4.147 0.004 . 1 . . . A 82 ILE HA . 18017 1
944 . 1 1 82 82 ILE HB H 1 1.519 0.008 . 1 . . . A 82 ILE HB . 18017 1
945 . 1 1 82 82 ILE HG12 H 1 1.372 0.011 . 1 . . . A 82 ILE HG12 . 18017 1
946 . 1 1 82 82 ILE HG13 H 1 1.372 0.011 . 1 . . . A 82 ILE HG13 . 18017 1
947 . 1 1 82 82 ILE HG21 H 1 0.618 0.003 . 1 . . . A 82 ILE HG21 . 18017 1
948 . 1 1 82 82 ILE HG22 H 1 0.618 0.003 . 1 . . . A 82 ILE HG22 . 18017 1
949 . 1 1 82 82 ILE HG23 H 1 0.618 0.003 . 1 . . . A 82 ILE HG23 . 18017 1
950 . 1 1 82 82 ILE HD11 H 1 0.655 0.054 . 1 . . . A 82 ILE HD11 . 18017 1
951 . 1 1 82 82 ILE HD12 H 1 0.655 0.054 . 1 . . . A 82 ILE HD12 . 18017 1
952 . 1 1 82 82 ILE HD13 H 1 0.655 0.054 . 1 . . . A 82 ILE HD13 . 18017 1
953 . 1 1 82 82 ILE C C 13 176.640 0.156 . 1 . . . A 82 ILE C . 18017 1
954 . 1 1 82 82 ILE CA C 13 60.991 0.183 . 1 . . . A 82 ILE CA . 18017 1
955 . 1 1 82 82 ILE CB C 13 40.795 0.149 . 1 . . . A 82 ILE CB . 18017 1
956 . 1 1 82 82 ILE CG1 C 13 27.014 0.014 . 1 . . . A 82 ILE CG1 . 18017 1
957 . 1 1 82 82 ILE CG2 C 13 17.317 0.049 . 1 . . . A 82 ILE CG2 . 18017 1
958 . 1 1 82 82 ILE CD1 C 13 14.208 0.032 . 1 . . . A 82 ILE CD1 . 18017 1
959 . 1 1 82 82 ILE N N 15 119.954 0.023 . 1 . . . A 82 ILE N . 18017 1
960 . 1 1 83 83 ASP H H 1 9.722 0.002 . 1 . . . A 83 ASP H . 18017 1
961 . 1 1 83 83 ASP HA H 1 4.362 0.002 . 1 . . . A 83 ASP HA . 18017 1
962 . 1 1 83 83 ASP HB2 H 1 2.316 0.003 . 2 . . . A 83 ASP HB2 . 18017 1
963 . 1 1 83 83 ASP HB3 H 1 2.907 0.004 . 2 . . . A 83 ASP HB3 . 18017 1
964 . 1 1 83 83 ASP C C 13 175.085 0.156 . 1 . . . A 83 ASP C . 18017 1
965 . 1 1 83 83 ASP CA C 13 55.748 0.206 . 1 . . . A 83 ASP CA . 18017 1
966 . 1 1 83 83 ASP CB C 13 39.586 0.047 . 1 . . . A 83 ASP CB . 18017 1
967 . 1 1 83 83 ASP N N 15 130.602 0.014 . 1 . . . A 83 ASP N . 18017 1
968 . 1 1 84 84 GLY H H 1 8.599 0.003 . 1 . . . A 84 GLY H . 18017 1
969 . 1 1 84 84 GLY HA2 H 1 3.507 0.002 . 2 . . . A 84 GLY HA2 . 18017 1
970 . 1 1 84 84 GLY HA3 H 1 4.168 0.004 . 2 . . . A 84 GLY HA3 . 18017 1
971 . 1 1 84 84 GLY C C 13 173.949 0.156 . 1 . . . A 84 GLY C . 18017 1
972 . 1 1 84 84 GLY CA C 13 45.247 0.108 . 1 . . . A 84 GLY CA . 18017 1
973 . 1 1 84 84 GLY N N 15 101.547 0.107 . 1 . . . A 84 GLY N . 18017 1
974 . 1 1 85 85 LYS H H 1 7.578 0.002 . 1 . . . A 85 LYS H . 18017 1
975 . 1 1 85 85 LYS HA H 1 4.560 0.004 . 1 . . . A 85 LYS HA . 18017 1
976 . 1 1 85 85 LYS HB2 H 1 1.948 0.006 . 1 . . . A 85 LYS HB2 . 18017 1
977 . 1 1 85 85 LYS HB3 H 1 1.948 0.006 . 1 . . . A 85 LYS HB3 . 18017 1
978 . 1 1 85 85 LYS HG2 H 1 1.434 0.005 . 2 . . . A 85 LYS HG2 . 18017 1
979 . 1 1 85 85 LYS HG3 H 1 1.557 0.004 . 2 . . . A 85 LYS HG3 . 18017 1
980 . 1 1 85 85 LYS HD2 H 1 1.586 0.009 . 2 . . . A 85 LYS HD2 . 18017 1
981 . 1 1 85 85 LYS HD3 H 1 1.678 0.001 . 2 . . . A 85 LYS HD3 . 18017 1
982 . 1 1 85 85 LYS HE2 H 1 2.985 0.003 . 1 . . . A 85 LYS HE2 . 18017 1
983 . 1 1 85 85 LYS HE3 H 1 2.985 0.003 . 1 . . . A 85 LYS HE3 . 18017 1
984 . 1 1 85 85 LYS C C 13 175.798 0.156 . 1 . . . A 85 LYS C . 18017 1
985 . 1 1 85 85 LYS CA C 13 52.898 0.167 . 1 . . . A 85 LYS CA . 18017 1
986 . 1 1 85 85 LYS CB C 13 32.937 0.054 . 1 . . . A 85 LYS CB . 18017 1
987 . 1 1 85 85 LYS CG C 13 23.684 0.045 . 1 . . . A 85 LYS CG . 18017 1
988 . 1 1 85 85 LYS CD C 13 27.137 0.091 . 1 . . . A 85 LYS CD . 18017 1
989 . 1 1 85 85 LYS CE C 13 41.541 0.139 . 1 . . . A 85 LYS CE . 18017 1
990 . 1 1 85 85 LYS N N 15 120.846 0.007 . 1 . . . A 85 LYS N . 18017 1
991 . 1 1 86 86 THR H H 1 8.758 0.003 . 1 . . . A 86 THR H . 18017 1
992 . 1 1 86 86 THR HA H 1 4.395 0.005 . 1 . . . A 86 THR HA . 18017 1
993 . 1 1 86 86 THR HB H 1 4.007 0.002 . 1 . . . A 86 THR HB . 18017 1
994 . 1 1 86 86 THR HG21 H 1 1.118 0.004 . 1 . . . A 86 THR HG21 . 18017 1
995 . 1 1 86 86 THR HG22 H 1 1.118 0.004 . 1 . . . A 86 THR HG22 . 18017 1
996 . 1 1 86 86 THR HG23 H 1 1.118 0.004 . 1 . . . A 86 THR HG23 . 18017 1
997 . 1 1 86 86 THR C C 13 174.696 0.156 . 1 . . . A 86 THR C . 18017 1
998 . 1 1 86 86 THR CA C 13 63.603 0.160 . 1 . . . A 86 THR CA . 18017 1
999 . 1 1 86 86 THR CB C 13 68.329 0.041 . 1 . . . A 86 THR CB . 18017 1
1000 . 1 1 86 86 THR CG2 C 13 22.205 0.120 . 1 . . . A 86 THR CG2 . 18017 1
1001 . 1 1 86 86 THR N N 15 119.548 0.029 . 1 . . . A 86 THR N . 18017 1
1002 . 1 1 87 87 ILE H H 1 8.407 0.002 . 1 . . . A 87 ILE H . 18017 1
1003 . 1 1 87 87 ILE HA H 1 4.528 0.008 . 1 . . . A 87 ILE HA . 18017 1
1004 . 1 1 87 87 ILE HB H 1 1.813 0.005 . 1 . . . A 87 ILE HB . 18017 1
1005 . 1 1 87 87 ILE HG12 H 1 0.888 0.008 . 2 . . . A 87 ILE HG12 . 18017 1
1006 . 1 1 87 87 ILE HG13 H 1 1.816 0.005 . 2 . . . A 87 ILE HG13 . 18017 1
1007 . 1 1 87 87 ILE HG21 H 1 0.904 0.005 . 1 . . . A 87 ILE HG21 . 18017 1
1008 . 1 1 87 87 ILE HG22 H 1 0.904 0.005 . 1 . . . A 87 ILE HG22 . 18017 1
1009 . 1 1 87 87 ILE HG23 H 1 0.904 0.005 . 1 . . . A 87 ILE HG23 . 18017 1
1010 . 1 1 87 87 ILE HD11 H 1 0.505 0.004 . 1 . . . A 87 ILE HD11 . 18017 1
1011 . 1 1 87 87 ILE HD12 H 1 0.505 0.004 . 1 . . . A 87 ILE HD12 . 18017 1
1012 . 1 1 87 87 ILE HD13 H 1 0.505 0.004 . 1 . . . A 87 ILE HD13 . 18017 1
1013 . 1 1 87 87 ILE C C 13 176.269 0.156 . 1 . . . A 87 ILE C . 18017 1
1014 . 1 1 87 87 ILE CA C 13 57.599 0.139 . 1 . . . A 87 ILE CA . 18017 1
1015 . 1 1 87 87 ILE CB C 13 37.170 0.045 . 1 . . . A 87 ILE CB . 18017 1
1016 . 1 1 87 87 ILE CG1 C 13 27.323 0.018 . 1 . . . A 87 ILE CG1 . 18017 1
1017 . 1 1 87 87 ILE CG2 C 13 18.874 0.006 . 1 . . . A 87 ILE CG2 . 18017 1
1018 . 1 1 87 87 ILE CD1 C 13 9.660 0.065 . 1 . . . A 87 ILE CD1 . 18017 1
1019 . 1 1 87 87 ILE N N 15 132.086 0.012 . 1 . . . A 87 ILE N . 18017 1
1020 . 1 1 88 88 GLY H H 1 8.022 0.005 . 1 . . . A 88 GLY H . 18017 1
1021 . 1 1 88 88 GLY HA2 H 1 3.504 0.003 . 2 . . . A 88 GLY HA2 . 18017 1
1022 . 1 1 88 88 GLY HA3 H 1 4.393 0.002 . 2 . . . A 88 GLY HA3 . 18017 1
1023 . 1 1 88 88 GLY C C 13 172.666 0.156 . 1 . . . A 88 GLY C . 18017 1
1024 . 1 1 88 88 GLY CA C 13 44.208 0.037 . 1 . . . A 88 GLY CA . 18017 1
1025 . 1 1 88 88 GLY N N 15 114.226 0.065 . 1 . . . A 88 GLY N . 18017 1
1026 . 1 1 89 89 VAL H H 1 8.459 0.003 . 1 . . . A 89 VAL H . 18017 1
1027 . 1 1 89 89 VAL HA H 1 5.252 0.004 . 1 . . . A 89 VAL HA . 18017 1
1028 . 1 1 89 89 VAL HB H 1 1.785 0.006 . 1 . . . A 89 VAL HB . 18017 1
1029 . 1 1 89 89 VAL HG11 H 1 0.785 0.002 . 1 . . . A 89 VAL HG11 . 18017 1
1030 . 1 1 89 89 VAL HG12 H 1 0.785 0.002 . 1 . . . A 89 VAL HG12 . 18017 1
1031 . 1 1 89 89 VAL HG13 H 1 0.785 0.002 . 1 . . . A 89 VAL HG13 . 18017 1
1032 . 1 1 89 89 VAL HG21 H 1 0.772 0.004 . 1 . . . A 89 VAL HG21 . 18017 1
1033 . 1 1 89 89 VAL HG22 H 1 0.772 0.004 . 1 . . . A 89 VAL HG22 . 18017 1
1034 . 1 1 89 89 VAL HG23 H 1 0.772 0.004 . 1 . . . A 89 VAL HG23 . 18017 1
1035 . 1 1 89 89 VAL C C 13 174.219 0.156 . 1 . . . A 89 VAL C . 18017 1
1036 . 1 1 89 89 VAL CA C 13 59.917 0.063 . 1 . . . A 89 VAL CA . 18017 1
1037 . 1 1 89 89 VAL CB C 13 34.792 0.071 . 1 . . . A 89 VAL CB . 18017 1
1038 . 1 1 89 89 VAL CG1 C 13 21.971 0.012 . 2 . . . A 89 VAL CG1 . 18017 1
1039 . 1 1 89 89 VAL CG2 C 13 20.572 0.017 . 2 . . . A 89 VAL CG2 . 18017 1
1040 . 1 1 89 89 VAL N N 15 119.262 0.023 . 1 . . . A 89 VAL N . 18017 1
1041 . 1 1 90 90 ASP H H 1 8.387 0.005 . 1 . . . A 90 ASP H . 18017 1
1042 . 1 1 90 90 ASP HA H 1 4.676 0.005 . 1 . . . A 90 ASP HA . 18017 1
1043 . 1 1 90 90 ASP HB2 H 1 2.485 0.003 . 2 . . . A 90 ASP HB2 . 18017 1
1044 . 1 1 90 90 ASP HB3 H 1 2.574 0.004 . 2 . . . A 90 ASP HB3 . 18017 1
1045 . 1 1 90 90 ASP C C 13 175.613 0.156 . 1 . . . A 90 ASP C . 18017 1
1046 . 1 1 90 90 ASP CA C 13 52.689 0.142 . 1 . . . A 90 ASP CA . 18017 1
1047 . 1 1 90 90 ASP CB C 13 44.565 0.018 . 1 . . . A 90 ASP CB . 18017 1
1048 . 1 1 90 90 ASP N N 15 123.464 0.022 . 1 . . . A 90 ASP N . 18017 1
1049 . 1 1 91 91 PHE H H 1 9.207 0.003 . 1 . . . A 91 PHE H . 18017 1
1050 . 1 1 91 91 PHE HA H 1 4.766 0.004 . 1 . . . A 91 PHE HA . 18017 1
1051 . 1 1 91 91 PHE HB2 H 1 2.692 0.003 . 2 . . . A 91 PHE HB2 . 18017 1
1052 . 1 1 91 91 PHE HB3 H 1 3.279 0.005 . 2 . . . A 91 PHE HB3 . 18017 1
1053 . 1 1 91 91 PHE HD1 H 1 7.221 0.003 . 3 . . . A 91 PHE HD1 . 18017 1
1054 . 1 1 91 91 PHE HE1 H 1 7.220 0.003 . 3 . . . A 91 PHE HE1 . 18017 1
1055 . 1 1 91 91 PHE HE2 H 1 7.222 0.156 . 3 . . . A 91 PHE HE2 . 18017 1
1056 . 1 1 91 91 PHE HZ H 1 7.216 0.156 . 1 . . . A 91 PHE HZ . 18017 1
1057 . 1 1 91 91 PHE C C 13 176.387 0.156 . 1 . . . A 91 PHE C . 18017 1
1058 . 1 1 91 91 PHE CA C 13 59.637 0.065 . 1 . . . A 91 PHE CA . 18017 1
1059 . 1 1 91 91 PHE CB C 13 40.614 0.070 . 1 . . . A 91 PHE CB . 18017 1
1060 . 1 1 91 91 PHE N N 15 119.869 0.016 . 1 . . . A 91 PHE N . 18017 1
1061 . 1 1 92 92 ALA H H 1 8.413 0.002 . 1 . . . A 92 ALA H . 18017 1
1062 . 1 1 92 92 ALA HA H 1 4.325 0.002 . 1 . . . A 92 ALA HA . 18017 1
1063 . 1 1 92 92 ALA HB1 H 1 1.322 0.004 . 1 . . . A 92 ALA HB1 . 18017 1
1064 . 1 1 92 92 ALA HB2 H 1 1.322 0.004 . 1 . . . A 92 ALA HB2 . 18017 1
1065 . 1 1 92 92 ALA HB3 H 1 1.322 0.004 . 1 . . . A 92 ALA HB3 . 18017 1
1066 . 1 1 92 92 ALA C C 13 176.430 0.156 . 1 . . . A 92 ALA C . 18017 1
1067 . 1 1 92 92 ALA CA C 13 52.064 0.074 . 1 . . . A 92 ALA CA . 18017 1
1068 . 1 1 92 92 ALA CB C 13 19.567 0.065 . 1 . . . A 92 ALA CB . 18017 1
1069 . 1 1 92 92 ALA N N 15 123.936 0.039 . 1 . . . A 92 ALA N . 18017 1
1070 . 1 1 93 93 LYS H H 1 8.467 0.009 . 1 . . . A 93 LYS H . 18017 1
1071 . 1 1 93 93 LYS HA H 1 4.328 0.002 . 1 . . . A 93 LYS HA . 18017 1
1072 . 1 1 93 93 LYS HB2 H 1 1.700 0.004 . 2 . . . A 93 LYS HB2 . 18017 1
1073 . 1 1 93 93 LYS HB3 H 1 1.795 0.003 . 2 . . . A 93 LYS HB3 . 18017 1
1074 . 1 1 93 93 LYS HG2 H 1 1.379 0.006 . 1 . . . A 93 LYS HG2 . 18017 1
1075 . 1 1 93 93 LYS HG3 H 1 1.379 0.006 . 1 . . . A 93 LYS HG3 . 18017 1
1076 . 1 1 93 93 LYS HD2 H 1 1.618 0.002 . 1 . . . A 93 LYS HD2 . 18017 1
1077 . 1 1 93 93 LYS HD3 H 1 1.618 0.002 . 1 . . . A 93 LYS HD3 . 18017 1
1078 . 1 1 93 93 LYS HE2 H 1 2.921 0.003 . 1 . . . A 93 LYS HE2 . 18017 1
1079 . 1 1 93 93 LYS HE3 H 1 2.921 0.003 . 1 . . . A 93 LYS HE3 . 18017 1
1080 . 1 1 93 93 LYS C C 13 176.363 0.156 . 1 . . . A 93 LYS C . 18017 1
1081 . 1 1 93 93 LYS CA C 13 56.167 0.101 . 1 . . . A 93 LYS CA . 18017 1
1082 . 1 1 93 93 LYS CB C 13 33.446 0.034 . 1 . . . A 93 LYS CB . 18017 1
1083 . 1 1 93 93 LYS CG C 13 24.841 0.014 . 1 . . . A 93 LYS CG . 18017 1
1084 . 1 1 93 93 LYS CD C 13 29.002 0.024 . 1 . . . A 93 LYS CD . 18017 1
1085 . 1 1 93 93 LYS CE C 13 41.892 0.148 . 1 . . . A 93 LYS CE . 18017 1
1086 . 1 1 93 93 LYS N N 15 121.004 0.034 . 1 . . . A 93 LYS N . 18017 1
1087 . 1 1 94 94 SER H H 1 8.294 0.001 . 1 . . . A 94 SER H . 18017 1
1088 . 1 1 94 94 SER HA H 1 4.324 0.004 . 1 . . . A 94 SER HA . 18017 1
1089 . 1 1 94 94 SER HB2 H 1 3.739 0.004 . 1 . . . A 94 SER HB2 . 18017 1
1090 . 1 1 94 94 SER HB3 H 1 3.739 0.004 . 1 . . . A 94 SER HB3 . 18017 1
1091 . 1 1 94 94 SER C C 13 173.081 0.156 . 1 . . . A 94 SER C . 18017 1
1092 . 1 1 94 94 SER CA C 13 58.115 0.240 . 1 . . . A 94 SER CA . 18017 1
1093 . 1 1 94 94 SER CB C 13 63.948 0.123 . 1 . . . A 94 SER CB . 18017 1
1094 . 1 1 94 94 SER N N 15 117.296 0.028 . 1 . . . A 94 SER N . 18017 1
1095 . 1 1 95 95 ALA H H 1 7.929 0.002 . 1 . . . A 95 ALA H . 18017 1
1096 . 1 1 95 95 ALA HA H 1 4.012 0.001 . 1 . . . A 95 ALA HA . 18017 1
1097 . 1 1 95 95 ALA HB1 H 1 1.209 0.002 . 1 . . . A 95 ALA HB1 . 18017 1
1098 . 1 1 95 95 ALA HB2 H 1 1.209 0.002 . 1 . . . A 95 ALA HB2 . 18017 1
1099 . 1 1 95 95 ALA HB3 H 1 1.209 0.002 . 1 . . . A 95 ALA HB3 . 18017 1
1100 . 1 1 95 95 ALA CA C 13 53.731 0.008 . 1 . . . A 95 ALA CA . 18017 1
1101 . 1 1 95 95 ALA CB C 13 20.111 0.006 . 1 . . . A 95 ALA CB . 18017 1
1102 . 1 1 95 95 ALA N N 15 131.035 0.013 . 1 . . . A 95 ALA N . 18017 1
stop_
save_