Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 36097
_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 $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36097 1
2 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36097 1
3 '3D HNCACB' 1 $sample_1 isotropic 36097 1
4 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36097 1
5 '3D 1H-13C NOESY' 1 $sample_1 isotropic 36097 1
6 '3D 1H-15N TOCSY' 1 $sample_1 isotropic 36097 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.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 2 2 LEU H H 1 7.776 0.008 . . . . . . A 2 LEU H . 36097 1
2 . 1 1 2 2 LEU HA H 1 4.154 0 . . . . . . A 2 LEU HA . 36097 1
3 . 1 1 2 2 LEU HB2 H 1 1.374 0 . . . . . . A 2 LEU HB2 . 36097 1
4 . 1 1 2 2 LEU HG H 1 1.196 0 . . . . . . A 2 LEU HG . 36097 1
5 . 1 1 2 2 LEU HD11 H 1 0.634 0 . . . . . . A 2 LEU HD11 . 36097 1
6 . 1 1 2 2 LEU HD12 H 1 0.634 0 . . . . . . A 2 LEU HD12 . 36097 1
7 . 1 1 2 2 LEU HD13 H 1 0.634 0 . . . . . . A 2 LEU HD13 . 36097 1
8 . 1 1 2 2 LEU CA C 13 54.709 0 . . . . . . A 2 LEU CA . 36097 1
9 . 1 1 2 2 LEU CB C 13 44.977 0 . . . . . . A 2 LEU CB . 36097 1
10 . 1 1 2 2 LEU N N 15 121.044 0 . . . . . . A 2 LEU N . 36097 1
11 . 1 1 5 5 SER H H 1 8.169 0.114 . . . . . . A 5 SER H . 36097 1
12 . 1 1 5 5 SER HA H 1 4.476 0 . . . . . . A 5 SER HA . 36097 1
13 . 1 1 5 5 SER HB2 H 1 3.867 0 . . . . . . A 5 SER HB2 . 36097 1
14 . 1 1 5 5 SER CA C 13 58.994 0 . . . . . . A 5 SER CA . 36097 1
15 . 1 1 5 5 SER CB C 13 64.546 0 . . . . . . A 5 SER CB . 36097 1
16 . 1 1 5 5 SER N N 15 115.328 0.015 . . . . . . A 5 SER N . 36097 1
17 . 1 1 6 6 ALA H H 1 8.651 0.004 . . . . . . A 6 ALA H . 36097 1
18 . 1 1 6 6 ALA HA H 1 4.867 0 . . . . . . A 6 ALA HA . 36097 1
19 . 1 1 6 6 ALA HB1 H 1 1.278 0 . . . . . . A 6 ALA HB1 . 36097 1
20 . 1 1 6 6 ALA HB2 H 1 1.278 0 . . . . . . A 6 ALA HB2 . 36097 1
21 . 1 1 6 6 ALA HB3 H 1 1.278 0 . . . . . . A 6 ALA HB3 . 36097 1
22 . 1 1 6 6 ALA CA C 13 52.04 0 . . . . . . A 6 ALA CA . 36097 1
23 . 1 1 6 6 ALA CB C 13 23.64 0 . . . . . . A 6 ALA CB . 36097 1
24 . 1 1 6 6 ALA N N 15 126.49 0.008 . . . . . . A 6 ALA N . 36097 1
25 . 1 1 7 7 THR H H 1 8.839 0.002 . . . . . . A 7 THR H . 36097 1
26 . 1 1 7 7 THR HA H 1 5.216 0.213 . . . . . . A 7 THR HA . 36097 1
27 . 1 1 7 7 THR HG21 H 1 0.864 0.003 . . . . . . A 7 THR HG21 . 36097 1
28 . 1 1 7 7 THR HG22 H 1 0.864 0.003 . . . . . . A 7 THR HG22 . 36097 1
29 . 1 1 7 7 THR HG23 H 1 0.864 0.003 . . . . . . A 7 THR HG23 . 36097 1
30 . 1 1 7 7 THR CA C 13 61.788 0 . . . . . . A 7 THR CA . 36097 1
31 . 1 1 7 7 THR CB C 13 71.055 0 . . . . . . A 7 THR CB . 36097 1
32 . 1 1 7 7 THR N N 15 115.75 0.128 . . . . . . A 7 THR N . 36097 1
33 . 1 1 8 8 THR H H 1 8.74 0.012 . . . . . . A 8 THR H . 36097 1
34 . 1 1 8 8 THR HA H 1 5.374 0 . . . . . . A 8 THR HA . 36097 1
35 . 1 1 8 8 THR HG21 H 1 0.504 0 . . . . . . A 8 THR HG21 . 36097 1
36 . 1 1 8 8 THR HG22 H 1 0.504 0 . . . . . . A 8 THR HG22 . 36097 1
37 . 1 1 8 8 THR HG23 H 1 0.504 0 . . . . . . A 8 THR HG23 . 36097 1
38 . 1 1 8 8 THR CA C 13 61.053 0 . . . . . . A 8 THR CA . 36097 1
39 . 1 1 8 8 THR CB C 13 70.429 0.037 . . . . . . A 8 THR CB . 36097 1
40 . 1 1 8 8 THR N N 15 117.313 0.033 . . . . . . A 8 THR N . 36097 1
41 . 1 1 11 11 MET H H 1 8.4 0.002 . . . . . . A 11 MET H . 36097 1
42 . 1 1 11 11 MET HA H 1 4.278 0 . . . . . . A 11 MET HA . 36097 1
43 . 1 1 11 11 MET HB2 H 1 1.703 0 . . . . . . A 11 MET HB2 . 36097 1
44 . 1 1 11 11 MET HG2 H 1 3.127 0 . . . . . . A 11 MET HG2 . 36097 1
45 . 1 1 11 11 MET CA C 13 57.005 0 . . . . . . A 11 MET CA . 36097 1
46 . 1 1 11 11 MET CB C 13 31.379 0 . . . . . . A 11 MET CB . 36097 1
47 . 1 1 11 11 MET N N 15 121.97 0 . . . . . . A 11 MET N . 36097 1
48 . 1 1 14 14 ALA H H 1 8.231 0.002 . . . . . . A 14 ALA H . 36097 1
49 . 1 1 14 14 ALA HA H 1 4.278 0 . . . . . . A 14 ALA HA . 36097 1
50 . 1 1 14 14 ALA HB1 H 1 1.305 0 . . . . . . A 14 ALA HB1 . 36097 1
51 . 1 1 14 14 ALA HB2 H 1 1.305 0 . . . . . . A 14 ALA HB2 . 36097 1
52 . 1 1 14 14 ALA HB3 H 1 1.305 0 . . . . . . A 14 ALA HB3 . 36097 1
53 . 1 1 14 14 ALA CA C 13 52.917 0 . . . . . . A 14 ALA CA . 36097 1
54 . 1 1 14 14 ALA CB C 13 20.049 0 . . . . . . A 14 ALA CB . 36097 1
55 . 1 1 14 14 ALA N N 15 123.486 0 . . . . . . A 14 ALA N . 36097 1
56 . 1 1 15 15 SER H H 1 8.322 0.001 . . . . . . A 15 SER H . 36097 1
57 . 1 1 15 15 SER HA H 1 4.312 0 . . . . . . A 15 SER HA . 36097 1
58 . 1 1 15 15 SER HB2 H 1 3.838 0 . . . . . . A 15 SER HB2 . 36097 1
59 . 1 1 15 15 SER CA C 13 59.237 0 . . . . . . A 15 SER CA . 36097 1
60 . 1 1 15 15 SER CB C 13 64.413 0 . . . . . . A 15 SER CB . 36097 1
61 . 1 1 15 15 SER N N 15 115.273 0.007 . . . . . . A 15 SER N . 36097 1
62 . 1 1 16 16 GLY H H 1 8.399 0.004 . . . . . . A 16 GLY H . 36097 1
63 . 1 1 16 16 GLY HA2 H 1 3.906 0 . . . . . . A 16 GLY HA2 . 36097 1
64 . 1 1 16 16 GLY CA C 13 45.976 0 . . . . . . A 16 GLY CA . 36097 1
65 . 1 1 16 16 GLY N N 15 110.611 0.029 . . . . . . A 16 GLY N . 36097 1
66 . 1 1 17 17 SER H H 1 8.204 0.006 . . . . . . A 17 SER H . 36097 1
67 . 1 1 17 17 SER HA H 1 4.5 0 . . . . . . A 17 SER HA . 36097 1
68 . 1 1 17 17 SER HB2 H 1 3.902 0 . . . . . . A 17 SER HB2 . 36097 1
69 . 1 1 17 17 SER CA C 13 58.932 0 . . . . . . A 17 SER CA . 36097 1
70 . 1 1 17 17 SER CB C 13 64.631 0 . . . . . . A 17 SER CB . 36097 1
71 . 1 1 17 17 SER N N 15 115.188 0.002 . . . . . . A 17 SER N . 36097 1
72 . 1 1 18 18 GLY H H 1 8.33 0.001 . . . . . . A 18 GLY H . 36097 1
73 . 1 1 18 18 GLY HA2 H 1 3.908 0 . . . . . . A 18 GLY HA2 . 36097 1
74 . 1 1 18 18 GLY CA C 13 45.98 0 . . . . . . A 18 GLY CA . 36097 1
75 . 1 1 18 18 GLY N N 15 110.901 0.004 . . . . . . A 18 GLY N . 36097 1
76 . 1 1 19 19 ALA H H 1 8.096 0.002 . . . . . . A 19 ALA H . 36097 1
77 . 1 1 19 19 ALA HA H 1 4.305 0 . . . . . . A 19 ALA HA . 36097 1
78 . 1 1 19 19 ALA HB1 H 1 1.292 0 . . . . . . A 19 ALA HB1 . 36097 1
79 . 1 1 19 19 ALA HB2 H 1 1.292 0 . . . . . . A 19 ALA HB2 . 36097 1
80 . 1 1 19 19 ALA HB3 H 1 1.292 0 . . . . . . A 19 ALA HB3 . 36097 1
81 . 1 1 19 19 ALA CA C 13 53.063 0 . . . . . . A 19 ALA CA . 36097 1
82 . 1 1 19 19 ALA CB C 13 19.976 0 . . . . . . A 19 ALA CB . 36097 1
83 . 1 1 19 19 ALA N N 15 123.73 0 . . . . . . A 19 ALA N . 36097 1
84 . 1 1 20 20 SER H H 1 8.321 0.001 . . . . . . A 20 SER H . 36097 1
85 . 1 1 20 20 SER HA H 1 4.313 0 . . . . . . A 20 SER HA . 36097 1
86 . 1 1 20 20 SER HB2 H 1 3.836 0 . . . . . . A 20 SER HB2 . 36097 1
87 . 1 1 20 20 SER CA C 13 59.236 0 . . . . . . A 20 SER CA . 36097 1
88 . 1 1 20 20 SER CB C 13 64.411 0 . . . . . . A 20 SER CB . 36097 1
89 . 1 1 20 20 SER N N 15 115.272 0.006 . . . . . . A 20 SER N . 36097 1
90 . 1 1 21 21 GLY H H 1 8.37 0.002 . . . . . . A 21 GLY H . 36097 1
91 . 1 1 21 21 GLY HA2 H 1 3.922 0 . . . . . . A 21 GLY HA2 . 36097 1
92 . 1 1 21 21 GLY CA C 13 46.05 0 . . . . . . A 21 GLY CA . 36097 1
93 . 1 1 21 21 GLY N N 15 110.861 0.013 . . . . . . A 21 GLY N . 36097 1
94 . 1 1 22 22 SER H H 1 8.204 0.005 . . . . . . A 22 SER H . 36097 1
95 . 1 1 22 22 SER HA H 1 4.502 0 . . . . . . A 22 SER HA . 36097 1
96 . 1 1 22 22 SER HB2 H 1 3.906 0 . . . . . . A 22 SER HB2 . 36097 1
97 . 1 1 22 22 SER CA C 13 58.914 0 . . . . . . A 22 SER CA . 36097 1
98 . 1 1 22 22 SER CB C 13 64.626 0 . . . . . . A 22 SER CB . 36097 1
99 . 1 1 22 22 SER N N 15 115.191 0.01 . . . . . . A 22 SER N . 36097 1
100 . 1 1 23 23 GLY H H 1 8.525 0.001 . . . . . . A 23 GLY H . 36097 1
101 . 1 1 23 23 GLY HA2 H 1 3.908 0 . . . . . . A 23 GLY HA2 . 36097 1
102 . 1 1 23 23 GLY CA C 13 45.976 0 . . . . . . A 23 GLY CA . 36097 1
103 . 1 1 23 23 GLY N N 15 110.834 0.006 . . . . . . A 23 GLY N . 36097 1
104 . 1 1 24 24 GLY H H 1 8.384 0.009 . . . . . . A 24 GLY H . 36097 1
105 . 1 1 24 24 GLY HA2 H 1 4.619 0 . . . . . . A 24 GLY HA2 . 36097 1
106 . 1 1 24 24 GLY HA3 H 1 3.81 0 . . . . . . A 24 GLY HA3 . 36097 1
107 . 1 1 24 24 GLY CA C 13 46.123 0 . . . . . . A 24 GLY CA . 36097 1
108 . 1 1 24 24 GLY N N 15 108.051 0.008 . . . . . . A 24 GLY N . 36097 1
109 . 1 1 25 25 ALA H H 1 8.774 0.015 . . . . . . A 25 ALA H . 36097 1
110 . 1 1 25 25 ALA HA H 1 5.031 0 . . . . . . A 25 ALA HA . 36097 1
111 . 1 1 25 25 ALA HB1 H 1 1.579 0 . . . . . . A 25 ALA HB1 . 36097 1
112 . 1 1 25 25 ALA HB2 H 1 1.579 0 . . . . . . A 25 ALA HB2 . 36097 1
113 . 1 1 25 25 ALA HB3 H 1 1.579 0 . . . . . . A 25 ALA HB3 . 36097 1
114 . 1 1 25 25 ALA CA C 13 56.299 0 . . . . . . A 25 ALA CA . 36097 1
115 . 1 1 25 25 ALA CB C 13 20.099 0 . . . . . . A 25 ALA CB . 36097 1
116 . 1 1 25 25 ALA N N 15 121.945 0.004 . . . . . . A 25 ALA N . 36097 1
117 . 1 1 26 26 HIS H H 1 8.365 0.003 . . . . . . A 26 HIS H . 36097 1
118 . 1 1 26 26 HIS HA H 1 4.401 0 . . . . . . A 26 HIS HA . 36097 1
119 . 1 1 26 26 HIS HB2 H 1 3.237 0 . . . . . . A 26 HIS HB2 . 36097 1
120 . 1 1 26 26 HIS CA C 13 59.177 0 . . . . . . A 26 HIS CA . 36097 1
121 . 1 1 26 26 HIS CB C 13 28.909 0 . . . . . . A 26 HIS CB . 36097 1
122 . 1 1 26 26 HIS N N 15 110.719 0.015 . . . . . . A 26 HIS N . 36097 1
123 . 1 1 27 27 LYS H H 1 7.753 0.002 . . . . . . A 27 LYS H . 36097 1
124 . 1 1 27 27 LYS HA H 1 4.237 0 . . . . . . A 27 LYS HA . 36097 1
125 . 1 1 27 27 LYS HG2 H 1 1.456 0 . . . . . . A 27 LYS HG2 . 36097 1
126 . 1 1 27 27 LYS CA C 13 55.28 0 . . . . . . A 27 LYS CA . 36097 1
127 . 1 1 27 27 LYS CB C 13 33.147 0 . . . . . . A 27 LYS CB . 36097 1
128 . 1 1 27 27 LYS N N 15 116.609 0.009 . . . . . . A 27 LYS N . 36097 1
129 . 1 1 28 28 VAL H H 1 7.378 0.002 . . . . . . A 28 VAL H . 36097 1
130 . 1 1 28 28 VAL HA H 1 4.25 0 . . . . . . A 28 VAL HA . 36097 1
131 . 1 1 28 28 VAL HB H 1 1.949 0 . . . . . . A 28 VAL HB . 36097 1
132 . 1 1 28 28 VAL HG11 H 1 0.853 0 . . . . . . A 28 VAL HG11 . 36097 1
133 . 1 1 28 28 VAL HG12 H 1 0.853 0 . . . . . . A 28 VAL HG12 . 36097 1
134 . 1 1 28 28 VAL HG13 H 1 0.853 0 . . . . . . A 28 VAL HG13 . 36097 1
135 . 1 1 28 28 VAL HG21 H 1 0.21 0 . . . . . . A 28 VAL HG21 . 36097 1
136 . 1 1 28 28 VAL HG22 H 1 0.21 0 . . . . . . A 28 VAL HG22 . 36097 1
137 . 1 1 28 28 VAL HG23 H 1 0.21 0 . . . . . . A 28 VAL HG23 . 36097 1
138 . 1 1 28 28 VAL CA C 13 63.343 0 . . . . . . A 28 VAL CA . 36097 1
139 . 1 1 28 28 VAL CB C 13 32.182 0 . . . . . . A 28 VAL CB . 36097 1
140 . 1 1 28 28 VAL N N 15 123.534 0 . . . . . . A 28 VAL N . 36097 1
141 . 1 1 29 29 ARG H H 1 7.875 0.002 . . . . . . A 29 ARG H . 36097 1
142 . 1 1 29 29 ARG HA H 1 5.086 0 . . . . . . A 29 ARG HA . 36097 1
143 . 1 1 29 29 ARG HB2 H 1 1.853 0 . . . . . . A 29 ARG HB2 . 36097 1
144 . 1 1 29 29 ARG HG2 H 1 1.607 0 . . . . . . A 29 ARG HG2 . 36097 1
145 . 1 1 29 29 ARG HD2 H 1 3.141 0 . . . . . . A 29 ARG HD2 . 36097 1
146 . 1 1 29 29 ARG HD3 H 1 2.853 0 . . . . . . A 29 ARG HD3 . 36097 1
147 . 1 1 29 29 ARG CA C 13 54.582 0 . . . . . . A 29 ARG CA . 36097 1
148 . 1 1 29 29 ARG CB C 13 35.089 0 . . . . . . A 29 ARG CB . 36097 1
149 . 1 1 29 29 ARG N N 15 123.451 0.003 . . . . . . A 29 ARG N . 36097 1
150 . 1 1 30 30 ALA H H 1 8.839 0.017 . . . . . . A 30 ALA H . 36097 1
151 . 1 1 30 30 ALA HA H 1 5.675 0 . . . . . . A 30 ALA HA . 36097 1
152 . 1 1 30 30 ALA HB1 H 1 1.264 0 . . . . . . A 30 ALA HB1 . 36097 1
153 . 1 1 30 30 ALA HB2 H 1 1.264 0 . . . . . . A 30 ALA HB2 . 36097 1
154 . 1 1 30 30 ALA HB3 H 1 1.264 0 . . . . . . A 30 ALA HB3 . 36097 1
155 . 1 1 30 30 ALA CA C 13 51.063 0 . . . . . . A 30 ALA CA . 36097 1
156 . 1 1 30 30 ALA CB C 13 24.298 0 . . . . . . A 30 ALA CB . 36097 1
157 . 1 1 30 30 ALA N N 15 124.457 0 . . . . . . A 30 ALA N . 36097 1
158 . 1 1 31 31 GLY H H 1 8.625 0.004 . . . . . . A 31 GLY H . 36097 1
159 . 1 1 31 31 GLY HA2 H 1 4.182 0 . . . . . . A 31 GLY HA2 . 36097 1
160 . 1 1 31 31 GLY CA C 13 46.77 0 . . . . . . A 31 GLY CA . 36097 1
161 . 1 1 31 31 GLY N N 15 106.269 0.005 . . . . . . A 31 GLY N . 36097 1
162 . 1 1 32 32 GLY H H 1 7.572 0.009 . . . . . . A 32 GLY H . 36097 1
163 . 1 1 32 32 GLY HA2 H 1 4.305 0 . . . . . . A 32 GLY HA2 . 36097 1
164 . 1 1 32 32 GLY HA3 H 1 3.401 0 . . . . . . A 32 GLY HA3 . 36097 1
165 . 1 1 32 32 GLY CA C 13 45.529 0 . . . . . . A 32 GLY CA . 36097 1
166 . 1 1 32 32 GLY N N 15 105.439 0 . . . . . . A 32 GLY N . 36097 1
167 . 1 1 34 34 GLY H H 1 8.711 0.005 . . . . . . A 34 GLY H . 36097 1
168 . 1 1 34 34 GLY HA2 H 1 4.276 0 . . . . . . A 34 GLY HA2 . 36097 1
169 . 1 1 34 34 GLY HA3 H 1 3.769 0 . . . . . . A 34 GLY HA3 . 36097 1
170 . 1 1 34 34 GLY CA C 13 45.02 0 . . . . . . A 34 GLY CA . 36097 1
171 . 1 1 34 34 GLY N N 15 106.56 0.021 . . . . . . A 34 GLY N . 36097 1
172 . 1 1 35 35 LEU H H 1 8.256 0.008 . . . . . . A 35 LEU H . 36097 1
173 . 1 1 35 35 LEU HA H 1 5.346 0 . . . . . . A 35 LEU HA . 36097 1
174 . 1 1 35 35 LEU HB2 H 1 2.36 0 . . . . . . A 35 LEU HB2 . 36097 1
175 . 1 1 35 35 LEU CA C 13 54.728 0 . . . . . . A 35 LEU CA . 36097 1
176 . 1 1 35 35 LEU CB C 13 42.156 0 . . . . . . A 35 LEU CB . 36097 1
177 . 1 1 35 35 LEU N N 15 120.249 0.004 . . . . . . A 35 LEU N . 36097 1
178 . 1 1 38 38 ALA H H 1 7.964 0.024 . . . . . . A 38 ALA H . 36097 1
179 . 1 1 38 38 ALA HA H 1 4.249 0 . . . . . . A 38 ALA HA . 36097 1
180 . 1 1 38 38 ALA HB1 H 1 1.382 0 . . . . . . A 38 ALA HB1 . 36097 1
181 . 1 1 38 38 ALA HB2 H 1 1.382 0 . . . . . . A 38 ALA HB2 . 36097 1
182 . 1 1 38 38 ALA HB3 H 1 1.382 0 . . . . . . A 38 ALA HB3 . 36097 1
183 . 1 1 38 38 ALA CA C 13 51.565 0 . . . . . . A 38 ALA CA . 36097 1
184 . 1 1 38 38 ALA CB C 13 23.619 0 . . . . . . A 38 ALA CB . 36097 1
185 . 1 1 38 38 ALA N N 15 121.682 0.012 . . . . . . A 38 ALA N . 36097 1
186 . 1 1 39 39 GLU H H 1 9.232 0.002 . . . . . . A 39 GLU H . 36097 1
187 . 1 1 39 39 GLU HA H 1 4.552 0 . . . . . . A 39 GLU HA . 36097 1
188 . 1 1 39 39 GLU HB2 H 1 1.675 0 . . . . . . A 39 GLU HB2 . 36097 1
189 . 1 1 39 39 GLU HG2 H 1 2.072 0 . . . . . . A 39 GLU HG2 . 36097 1
190 . 1 1 39 39 GLU CA C 13 54.623 0 . . . . . . A 39 GLU CA . 36097 1
191 . 1 1 39 39 GLU CB C 13 33.629 0 . . . . . . A 39 GLU CB . 36097 1
192 . 1 1 39 39 GLU N N 15 120.763 0 . . . . . . A 39 GLU N . 36097 1
193 . 1 1 40 40 ALA H H 1 8.378 0.003 . . . . . . A 40 ALA H . 36097 1
194 . 1 1 40 40 ALA HA H 1 3.62 0 . . . . . . A 40 ALA HA . 36097 1
195 . 1 1 40 40 ALA HB1 H 1 1.004 0 . . . . . . A 40 ALA HB1 . 36097 1
196 . 1 1 40 40 ALA HB2 H 1 1.004 0 . . . . . . A 40 ALA HB2 . 36097 1
197 . 1 1 40 40 ALA HB3 H 1 1.004 0 . . . . . . A 40 ALA HB3 . 36097 1
198 . 1 1 40 40 ALA CA C 13 53.912 0 . . . . . . A 40 ALA CA . 36097 1
199 . 1 1 40 40 ALA CB C 13 18.153 0 . . . . . . A 40 ALA CB . 36097 1
200 . 1 1 40 40 ALA N N 15 127.486 0.031 . . . . . . A 40 ALA N . 36097 1
201 . 1 1 41 41 GLY H H 1 8.669 0.015 . . . . . . A 41 GLY H . 36097 1
202 . 1 1 41 41 GLY HA2 H 1 4.086 0 . . . . . . A 41 GLY HA2 . 36097 1
203 . 1 1 41 41 GLY HA3 H 1 3.36 0 . . . . . . A 41 GLY HA3 . 36097 1
204 . 1 1 41 41 GLY CA C 13 46.075 0 . . . . . . A 41 GLY CA . 36097 1
205 . 1 1 41 41 GLY N N 15 108.41 0.013 . . . . . . A 41 GLY N . 36097 1
206 . 1 1 42 42 VAL H H 1 7.636 0.005 . . . . . . A 42 VAL H . 36097 1
207 . 1 1 42 42 VAL HA H 1 4.387 0 . . . . . . A 42 VAL HA . 36097 1
208 . 1 1 42 42 VAL HB H 1 1.935 0 . . . . . . A 42 VAL HB . 36097 1
209 . 1 1 42 42 VAL HG11 H 1 0.675 0 . . . . . . A 42 VAL HG11 . 36097 1
210 . 1 1 42 42 VAL HG12 H 1 0.675 0 . . . . . . A 42 VAL HG12 . 36097 1
211 . 1 1 42 42 VAL HG13 H 1 0.675 0 . . . . . . A 42 VAL HG13 . 36097 1
212 . 1 1 42 42 VAL CA C 13 59.646 0 . . . . . . A 42 VAL CA . 36097 1
213 . 1 1 42 42 VAL CB C 13 34.765 0 . . . . . . A 42 VAL CB . 36097 1
214 . 1 1 42 42 VAL N N 15 122.839 0 . . . . . . A 42 VAL N . 36097 1
215 . 1 1 44 44 ALA H H 1 8.971 0.003 . . . . . . A 44 ALA H . 36097 1
216 . 1 1 44 44 ALA HA H 1 4.524 0 . . . . . . A 44 ALA HA . 36097 1
217 . 1 1 44 44 ALA HB1 H 1 0.648 0 . . . . . . A 44 ALA HB1 . 36097 1
218 . 1 1 44 44 ALA HB2 H 1 0.648 0 . . . . . . A 44 ALA HB2 . 36097 1
219 . 1 1 44 44 ALA HB3 H 1 0.648 0 . . . . . . A 44 ALA HB3 . 36097 1
220 . 1 1 44 44 ALA CA C 13 50.799 0 . . . . . . A 44 ALA CA . 36097 1
221 . 1 1 44 44 ALA CB C 13 20.56 0 . . . . . . A 44 ALA CB . 36097 1
222 . 1 1 44 44 ALA N N 15 131.517 0.004 . . . . . . A 44 ALA N . 36097 1
223 . 1 1 45 45 GLU H H 1 8.342 0.002 . . . . . . A 45 GLU H . 36097 1
224 . 1 1 45 45 GLU HA H 1 4.524 0 . . . . . . A 45 GLU HA . 36097 1
225 . 1 1 45 45 GLU HG2 H 1 1.977 0 . . . . . . A 45 GLU HG2 . 36097 1
226 . 1 1 45 45 GLU CA C 13 55.545 0 . . . . . . A 45 GLU CA . 36097 1
227 . 1 1 45 45 GLU CB C 13 34.14 0 . . . . . . A 45 GLU CB . 36097 1
228 . 1 1 45 45 GLU N N 15 118.846 0.077 . . . . . . A 45 GLU N . 36097 1
229 . 1 1 47 47 SER H H 1 9.25 0.006 . . . . . . A 47 SER H . 36097 1
230 . 1 1 47 47 SER HA H 1 4.675 0 . . . . . . A 47 SER HA . 36097 1
231 . 1 1 47 47 SER HB2 H 1 3.552 0 . . . . . . A 47 SER HB2 . 36097 1
232 . 1 1 47 47 SER CA C 13 57.383 0 . . . . . . A 47 SER CA . 36097 1
233 . 1 1 47 47 SER CB C 13 66.19 0 . . . . . . A 47 SER CB . 36097 1
234 . 1 1 47 47 SER N N 15 123.045 0.085 . . . . . . A 47 SER N . 36097 1
235 . 1 1 49 49 TRP H H 1 9.576 0.002 . . . . . . A 49 TRP H . 36097 1
236 . 1 1 49 49 TRP HA H 1 4.743 0 . . . . . . A 49 TRP HA . 36097 1
237 . 1 1 49 49 TRP HB2 H 1 3.196 0 . . . . . . A 49 TRP HB2 . 36097 1
238 . 1 1 49 49 TRP HD1 H 1 7.318 0 . . . . . . A 49 TRP HD1 . 36097 1
239 . 1 1 49 49 TRP HE1 H 1 8.538 0 . . . . . . A 49 TRP HE1 . 36097 1
240 . 1 1 49 49 TRP CA C 13 59.4 0 . . . . . . A 49 TRP CA . 36097 1
241 . 1 1 49 49 TRP CB C 13 30.708 0 . . . . . . A 49 TRP CB . 36097 1
242 . 1 1 49 49 TRP N N 15 128.551 0.072 . . . . . . A 49 TRP N . 36097 1
243 . 1 1 50 50 THR H H 1 8.427 0.006 . . . . . . A 50 THR H . 36097 1
244 . 1 1 50 50 THR HA H 1 4.88 0 . . . . . . A 50 THR HA . 36097 1
245 . 1 1 50 50 THR HG21 H 1 0.867 0 . . . . . . A 50 THR HG21 . 36097 1
246 . 1 1 50 50 THR HG22 H 1 0.867 0 . . . . . . A 50 THR HG22 . 36097 1
247 . 1 1 50 50 THR HG23 H 1 0.867 0 . . . . . . A 50 THR HG23 . 36097 1
248 . 1 1 50 50 THR CA C 13 62.48 0 . . . . . . A 50 THR CA . 36097 1
249 . 1 1 50 50 THR CB C 13 69.977 0 . . . . . . A 50 THR CB . 36097 1
250 . 1 1 50 50 THR N N 15 114.14 0.122 . . . . . . A 50 THR N . 36097 1
251 . 1 1 53 53 ALA H H 1 7.63 0.002 . . . . . . A 53 ALA H . 36097 1
252 . 1 1 53 53 ALA HA H 1 3.922 0 . . . . . . A 53 ALA HA . 36097 1
253 . 1 1 53 53 ALA HB1 H 1 0.648 0 . . . . . . A 53 ALA HB1 . 36097 1
254 . 1 1 53 53 ALA HB2 H 1 0.648 0 . . . . . . A 53 ALA HB2 . 36097 1
255 . 1 1 53 53 ALA HB3 H 1 0.648 0 . . . . . . A 53 ALA HB3 . 36097 1
256 . 1 1 53 53 ALA CA C 13 53.706 0 . . . . . . A 53 ALA CA . 36097 1
257 . 1 1 53 53 ALA CB C 13 21.801 0 . . . . . . A 53 ALA CB . 36097 1
258 . 1 1 53 53 ALA N N 15 120.979 0 . . . . . . A 53 ALA N . 36097 1
259 . 1 1 54 54 GLY H H 1 7.488 0.004 . . . . . . A 54 GLY H . 36097 1
260 . 1 1 54 54 GLY HA2 H 1 4.168 0 . . . . . . A 54 GLY HA2 . 36097 1
261 . 1 1 54 54 GLY HA3 H 1 3.743 0 . . . . . . A 54 GLY HA3 . 36097 1
262 . 1 1 54 54 GLY CA C 13 44.987 0 . . . . . . A 54 GLY CA . 36097 1
263 . 1 1 54 54 GLY N N 15 105.299 0.038 . . . . . . A 54 GLY N . 36097 1
264 . 1 1 55 55 ALA H H 1 8.179 0.007 . . . . . . A 55 ALA H . 36097 1
265 . 1 1 55 55 ALA HA H 1 4.374 0 . . . . . . A 55 ALA HA . 36097 1
266 . 1 1 55 55 ALA HB1 H 1 1.292 0 . . . . . . A 55 ALA HB1 . 36097 1
267 . 1 1 55 55 ALA HB2 H 1 1.292 0 . . . . . . A 55 ALA HB2 . 36097 1
268 . 1 1 55 55 ALA HB3 H 1 1.292 0 . . . . . . A 55 ALA HB3 . 36097 1
269 . 1 1 55 55 ALA CA C 13 52.462 0 . . . . . . A 55 ALA CA . 36097 1
270 . 1 1 55 55 ALA CB C 13 20.5 0 . . . . . . A 55 ALA CB . 36097 1
271 . 1 1 55 55 ALA N N 15 122.162 0.011 . . . . . . A 55 ALA N . 36097 1
272 . 1 1 56 56 GLY H H 1 8.183 0.001 . . . . . . A 56 GLY H . 36097 1
273 . 1 1 56 56 GLY HA2 H 1 3.826 0 . . . . . . A 56 GLY HA2 . 36097 1
274 . 1 1 56 56 GLY HA3 H 1 3.565 0 . . . . . . A 56 GLY HA3 . 36097 1
275 . 1 1 56 56 GLY CA C 13 46.697 0 . . . . . . A 56 GLY CA . 36097 1
276 . 1 1 56 56 GLY N N 15 108.34 0.008 . . . . . . A 56 GLY N . 36097 1
277 . 1 1 57 57 GLY H H 1 8.699 0.005 . . . . . . A 57 GLY H . 36097 1
278 . 1 1 57 57 GLY HA2 H 1 4.88 0 . . . . . . A 57 GLY HA2 . 36097 1
279 . 1 1 57 57 GLY HA3 H 1 4.127 0 . . . . . . A 57 GLY HA3 . 36097 1
280 . 1 1 57 57 GLY CA C 13 45.522 0 . . . . . . A 57 GLY CA . 36097 1
281 . 1 1 57 57 GLY N N 15 111.878 0.001 . . . . . . A 57 GLY N . 36097 1
282 . 1 1 58 58 LEU H H 1 8.025 0.007 . . . . . . A 58 LEU H . 36097 1
283 . 1 1 58 58 LEU HA H 1 3.853 0 . . . . . . A 58 LEU HA . 36097 1
284 . 1 1 58 58 LEU HB2 H 1 1.73 0 . . . . . . A 58 LEU HB2 . 36097 1
285 . 1 1 58 58 LEU HG H 1 1.497 0 . . . . . . A 58 LEU HG . 36097 1
286 . 1 1 58 58 LEU HD11 H 1 0.771 0 . . . . . . A 58 LEU HD11 . 36097 1
287 . 1 1 58 58 LEU HD12 H 1 0.771 0 . . . . . . A 58 LEU HD12 . 36097 1
288 . 1 1 58 58 LEU HD13 H 1 0.771 0 . . . . . . A 58 LEU HD13 . 36097 1
289 . 1 1 58 58 LEU CA C 13 55.75 0 . . . . . . A 58 LEU CA . 36097 1
290 . 1 1 58 58 LEU CB C 13 43.06 0 . . . . . . A 58 LEU CB . 36097 1
291 . 1 1 58 58 LEU N N 15 121.548 0 . . . . . . A 58 LEU N . 36097 1
292 . 1 1 59 59 ALA H H 1 9.06 0.005 . . . . . . A 59 ALA H . 36097 1
293 . 1 1 59 59 ALA HA H 1 5.127 0 . . . . . . A 59 ALA HA . 36097 1
294 . 1 1 59 59 ALA HB1 H 1 1.168 0 . . . . . . A 59 ALA HB1 . 36097 1
295 . 1 1 59 59 ALA HB2 H 1 1.168 0 . . . . . . A 59 ALA HB2 . 36097 1
296 . 1 1 59 59 ALA HB3 H 1 1.168 0 . . . . . . A 59 ALA HB3 . 36097 1
297 . 1 1 59 59 ALA CA C 13 51.515 0 . . . . . . A 59 ALA CA . 36097 1
298 . 1 1 59 59 ALA CB C 13 23.129 0 . . . . . . A 59 ALA CB . 36097 1
299 . 1 1 59 59 ALA N N 15 128.039 0.118 . . . . . . A 59 ALA N . 36097 1
300 . 1 1 60 60 ILE H H 1 8.634 0.005 . . . . . . A 60 ILE H . 36097 1
301 . 1 1 60 60 ILE HA H 1 5.113 0 . . . . . . A 60 ILE HA . 36097 1
302 . 1 1 60 60 ILE HG12 H 1 0.84 0 . . . . . . A 60 ILE HG12 . 36097 1
303 . 1 1 60 60 ILE CA C 13 59.738 0 . . . . . . A 60 ILE CA . 36097 1
304 . 1 1 60 60 ILE CB C 13 41.207 0 . . . . . . A 60 ILE CB . 36097 1
305 . 1 1 60 60 ILE N N 15 124.014 0 . . . . . . A 60 ILE N . 36097 1
306 . 1 1 61 61 ALA H H 1 8.824 0.012 . . . . . . A 61 ALA H . 36097 1
307 . 1 1 61 61 ALA HA H 1 5.483 0 . . . . . . A 61 ALA HA . 36097 1
308 . 1 1 61 61 ALA HB1 H 1 1.292 0 . . . . . . A 61 ALA HB1 . 36097 1
309 . 1 1 61 61 ALA HB2 H 1 1.292 0 . . . . . . A 61 ALA HB2 . 36097 1
310 . 1 1 61 61 ALA HB3 H 1 1.292 0 . . . . . . A 61 ALA HB3 . 36097 1
311 . 1 1 61 61 ALA CA C 13 50.885 0 . . . . . . A 61 ALA CA . 36097 1
312 . 1 1 61 61 ALA CB C 13 23.48 0 . . . . . . A 61 ALA CB . 36097 1
313 . 1 1 61 61 ALA N N 15 127.294 0 . . . . . . A 61 ALA N . 36097 1
314 . 1 1 62 62 VAL H H 1 8.891 0.003 . . . . . . A 62 VAL H . 36097 1
315 . 1 1 62 62 VAL HA H 1 5.456 0 . . . . . . A 62 VAL HA . 36097 1
316 . 1 1 62 62 VAL HB H 1 1.292 0 . . . . . . A 62 VAL HB . 36097 1
317 . 1 1 62 62 VAL HG11 H 1 0.634 0 . . . . . . A 62 VAL HG11 . 36097 1
318 . 1 1 62 62 VAL HG12 H 1 0.634 0 . . . . . . A 62 VAL HG12 . 36097 1
319 . 1 1 62 62 VAL HG13 H 1 0.634 0 . . . . . . A 62 VAL HG13 . 36097 1
320 . 1 1 62 62 VAL HG21 H 1 0.429 0 . . . . . . A 62 VAL HG21 . 36097 1
321 . 1 1 62 62 VAL HG22 H 1 0.429 0 . . . . . . A 62 VAL HG22 . 36097 1
322 . 1 1 62 62 VAL HG23 H 1 0.429 0 . . . . . . A 62 VAL HG23 . 36097 1
323 . 1 1 62 62 VAL CA C 13 61.882 0 . . . . . . A 62 VAL CA . 36097 1
324 . 1 1 62 62 VAL CB C 13 35.016 0 . . . . . . A 62 VAL CB . 36097 1
325 . 1 1 62 62 VAL N N 15 119.823 0 . . . . . . A 62 VAL N . 36097 1
326 . 1 1 63 63 GLU H H 1 9.264 0.003 . . . . . . A 63 GLU H . 36097 1
327 . 1 1 63 63 GLU HA H 1 4.866 0 . . . . . . A 63 GLU HA . 36097 1
328 . 1 1 63 63 GLU HB2 H 1 1.903 0 . . . . . . A 63 GLU HB2 . 36097 1
329 . 1 1 63 63 GLU HG2 H 1 2.109 0 . . . . . . A 63 GLU HG2 . 36097 1
330 . 1 1 63 63 GLU CA C 13 54.507 0 . . . . . . A 63 GLU CA . 36097 1
331 . 1 1 63 63 GLU CB C 13 34.724 0 . . . . . . A 63 GLU CB . 36097 1
332 . 1 1 63 63 GLU N N 15 129.068 0.007 . . . . . . A 63 GLU N . 36097 1
333 . 1 1 64 64 GLY H H 1 8.739 0.009 . . . . . . A 64 GLY H . 36097 1
334 . 1 1 64 64 GLY HA2 H 1 3.839 0 . . . . . . A 64 GLY HA2 . 36097 1
335 . 1 1 64 64 GLY CA C 13 46.891 0 . . . . . . A 64 GLY CA . 36097 1
336 . 1 1 64 64 GLY N N 15 110.939 0 . . . . . . A 64 GLY N . 36097 1
337 . 1 1 66 66 SER H H 1 7.387 0.012 . . . . . . A 66 SER H . 36097 1
338 . 1 1 66 66 SER HA H 1 4.237 0 . . . . . . A 66 SER HA . 36097 1
339 . 1 1 66 66 SER CA C 13 58.551 0 . . . . . . A 66 SER CA . 36097 1
340 . 1 1 66 66 SER CB C 13 66.322 0 . . . . . . A 66 SER CB . 36097 1
341 . 1 1 66 66 SER N N 15 110.061 0 . . . . . . A 66 SER N . 36097 1
342 . 1 1 67 67 LYS H H 1 8.22 0.001 . . . . . . A 67 LYS H . 36097 1
343 . 1 1 67 67 LYS HA H 1 3.976 0 . . . . . . A 67 LYS HA . 36097 1
344 . 1 1 67 67 LYS HB2 H 1 1.634 0 . . . . . . A 67 LYS HB2 . 36097 1
345 . 1 1 67 67 LYS HG2 H 1 1.209 0 . . . . . . A 67 LYS HG2 . 36097 1
346 . 1 1 67 67 LYS CA C 13 57.006 0 . . . . . . A 67 LYS CA . 36097 1
347 . 1 1 67 67 LYS CB C 13 33.504 0 . . . . . . A 67 LYS CB . 36097 1
348 . 1 1 67 67 LYS N N 15 120.612 0.002 . . . . . . A 67 LYS N . 36097 1
349 . 1 1 68 68 ALA H H 1 8.726 0.022 . . . . . . A 68 ALA H . 36097 1
350 . 1 1 68 68 ALA HA H 1 4.393 0.487 . . . . . . A 68 ALA HA . 36097 1
351 . 1 1 68 68 ALA HB1 H 1 1.104 0.018 . . . . . . A 68 ALA HB1 . 36097 1
352 . 1 1 68 68 ALA HB2 H 1 1.104 0.018 . . . . . . A 68 ALA HB2 . 36097 1
353 . 1 1 68 68 ALA HB3 H 1 1.104 0.018 . . . . . . A 68 ALA HB3 . 36097 1
354 . 1 1 68 68 ALA CA C 13 51.492 0 . . . . . . A 68 ALA CA . 36097 1
355 . 1 1 68 68 ALA CB C 13 21.265 0 . . . . . . A 68 ALA CB . 36097 1
356 . 1 1 68 68 ALA N N 15 128.25 0.124 . . . . . . A 68 ALA N . 36097 1
357 . 1 1 69 69 GLU H H 1 8.298 0.003 . . . . . . A 69 GLU H . 36097 1
358 . 1 1 69 69 GLU HA H 1 4.867 0 . . . . . . A 69 GLU HA . 36097 1
359 . 1 1 69 69 GLU HB2 H 1 1.785 0 . . . . . . A 69 GLU HB2 . 36097 1
360 . 1 1 69 69 GLU HG2 H 1 2.155 0 . . . . . . A 69 GLU HG2 . 36097 1
361 . 1 1 69 69 GLU CA C 13 56.101 0 . . . . . . A 69 GLU CA . 36097 1
362 . 1 1 69 69 GLU CB C 13 31.292 0 . . . . . . A 69 GLU CB . 36097 1
363 . 1 1 69 69 GLU N N 15 122.413 0 . . . . . . A 69 GLU N . 36097 1
364 . 1 1 71 71 SER H H 1 8.833 0.006 . . . . . . A 71 SER H . 36097 1
365 . 1 1 71 71 SER HA H 1 5.415 0 . . . . . . A 71 SER HA . 36097 1
366 . 1 1 71 71 SER HB2 H 1 3.316 0 . . . . . . A 71 SER HB2 . 36097 1
367 . 1 1 71 71 SER HB3 H 1 2.767 0 . . . . . . A 71 SER HB3 . 36097 1
368 . 1 1 71 71 SER CA C 13 57.817 0 . . . . . . A 71 SER CA . 36097 1
369 . 1 1 71 71 SER CB C 13 66.715 0 . . . . . . A 71 SER CB . 36097 1
370 . 1 1 71 71 SER N N 15 115.526 0 . . . . . . A 71 SER N . 36097 1
371 . 1 1 72 72 PHE H H 1 8.388 0.007 . . . . . . A 72 PHE H . 36097 1
372 . 1 1 72 72 PHE HA H 1 4.941 0.295 . . . . . . A 72 PHE HA . 36097 1
373 . 1 1 72 72 PHE HB2 H 1 2.961 0.094 . . . . . . A 72 PHE HB2 . 36097 1
374 . 1 1 72 72 PHE HB3 H 1 2.708 0.019 . . . . . . A 72 PHE HB3 . 36097 1
375 . 1 1 72 72 PHE HD1 H 1 7.006 0 . . . . . . A 72 PHE HD1 . 36097 1
376 . 1 1 72 72 PHE CA C 13 57.302 0 . . . . . . A 72 PHE CA . 36097 1
377 . 1 1 72 72 PHE CB C 13 43.181 0 . . . . . . A 72 PHE CB . 36097 1
378 . 1 1 72 72 PHE N N 15 120.713 0.325 . . . . . . A 72 PHE N . 36097 1
379 . 1 1 73 73 GLU H H 1 8.642 0.015 . . . . . . A 73 GLU H . 36097 1
380 . 1 1 73 73 GLU HA H 1 4.414 0 . . . . . . A 73 GLU HA . 36097 1
381 . 1 1 73 73 GLU HB2 H 1 1.629 0 . . . . . . A 73 GLU HB2 . 36097 1
382 . 1 1 73 73 GLU HG2 H 1 1.848 0 . . . . . . A 73 GLU HG2 . 36097 1
383 . 1 1 73 73 GLU CA C 13 55.316 0 . . . . . . A 73 GLU CA . 36097 1
384 . 1 1 73 73 GLU CB C 13 33.621 0 . . . . . . A 73 GLU CB . 36097 1
385 . 1 1 73 73 GLU N N 15 123.933 0.006 . . . . . . A 73 GLU N . 36097 1
386 . 1 1 77 77 ASP H H 1 8.739 0.007 . . . . . . A 77 ASP H . 36097 1
387 . 1 1 77 77 ASP HA H 1 4.743 0 . . . . . . A 77 ASP HA . 36097 1
388 . 1 1 77 77 ASP HB2 H 1 2.712 0 . . . . . . A 77 ASP HB2 . 36097 1
389 . 1 1 77 77 ASP CA C 13 53.845 0 . . . . . . A 77 ASP CA . 36097 1
390 . 1 1 77 77 ASP CB C 13 39.504 0 . . . . . . A 77 ASP CB . 36097 1
391 . 1 1 77 77 ASP N N 15 120.439 0.013 . . . . . . A 77 ASP N . 36097 1
392 . 1 1 78 78 GLY H H 1 8.444 0.011 . . . . . . A 78 GLY H . 36097 1
393 . 1 1 78 78 GLY HA2 H 1 4.249 0 . . . . . . A 78 GLY HA2 . 36097 1
394 . 1 1 78 78 GLY HA3 H 1 3.837 0 . . . . . . A 78 GLY HA3 . 36097 1
395 . 1 1 78 78 GLY CA C 13 46.05 0 . . . . . . A 78 GLY CA . 36097 1
396 . 1 1 78 78 GLY N N 15 108.492 0.01 . . . . . . A 78 GLY N . 36097 1
397 . 1 1 79 79 SER H H 1 8.06 0.002 . . . . . . A 79 SER H . 36097 1
398 . 1 1 79 79 SER HA H 1 4.316 0 . . . . . . A 79 SER HA . 36097 1
399 . 1 1 79 79 SER HB2 H 1 3.781 0 . . . . . . A 79 SER HB2 . 36097 1
400 . 1 1 79 79 SER CA C 13 58.972 0 . . . . . . A 79 SER CA . 36097 1
401 . 1 1 79 79 SER CB C 13 64.492 0 . . . . . . A 79 SER CB . 36097 1
402 . 1 1 79 79 SER N N 15 115.361 0.002 . . . . . . A 79 SER N . 36097 1
403 . 1 1 82 82 VAL H H 1 8.34 0.007 . . . . . . A 82 VAL H . 36097 1
404 . 1 1 82 82 VAL HA H 1 4.456 0 . . . . . . A 82 VAL HA . 36097 1
405 . 1 1 82 82 VAL HG11 H 1 0.36 0 . . . . . . A 82 VAL HG11 . 36097 1
406 . 1 1 82 82 VAL HG12 H 1 0.36 0 . . . . . . A 82 VAL HG12 . 36097 1
407 . 1 1 82 82 VAL HG13 H 1 0.36 0 . . . . . . A 82 VAL HG13 . 36097 1
408 . 1 1 82 82 VAL HG21 H 1 -0.078 0 . . . . . . A 82 VAL HG21 . 36097 1
409 . 1 1 82 82 VAL HG22 H 1 -0.078 0 . . . . . . A 82 VAL HG22 . 36097 1
410 . 1 1 82 82 VAL HG23 H 1 -0.078 0 . . . . . . A 82 VAL HG23 . 36097 1
411 . 1 1 82 82 VAL CA C 13 60.86 0 . . . . . . A 82 VAL CA . 36097 1
412 . 1 1 82 82 VAL CB C 13 34.446 0 . . . . . . A 82 VAL CB . 36097 1
413 . 1 1 82 82 VAL N N 15 124.118 0 . . . . . . A 82 VAL N . 36097 1
414 . 1 1 83 83 ALA H H 1 8.474 0.001 . . . . . . A 83 ALA H . 36097 1
415 . 1 1 83 83 ALA HA H 1 5.292 0 . . . . . . A 83 ALA HA . 36097 1
416 . 1 1 83 83 ALA HB1 H 1 0.943 0 . . . . . . A 83 ALA HB1 . 36097 1
417 . 1 1 83 83 ALA HB2 H 1 0.943 0 . . . . . . A 83 ALA HB2 . 36097 1
418 . 1 1 83 83 ALA HB3 H 1 0.943 0 . . . . . . A 83 ALA HB3 . 36097 1
419 . 1 1 83 83 ALA CA C 13 50.683 0 . . . . . . A 83 ALA CA . 36097 1
420 . 1 1 83 83 ALA CB C 13 22.736 0 . . . . . . A 83 ALA CB . 36097 1
421 . 1 1 83 83 ALA N N 15 127.11 0.002 . . . . . . A 83 ALA N . 36097 1
422 . 1 1 84 84 TYR H H 1 8.699 0.007 . . . . . . A 84 TYR H . 36097 1
423 . 1 1 84 84 TYR HA H 1 4.894 0 . . . . . . A 84 TYR HA . 36097 1
424 . 1 1 84 84 TYR HB2 H 1 2.565 0 . . . . . . A 84 TYR HB2 . 36097 1
425 . 1 1 84 84 TYR CA C 13 55.518 0 . . . . . . A 84 TYR CA . 36097 1
426 . 1 1 84 84 TYR CB C 13 43.559 0 . . . . . . A 84 TYR CB . 36097 1
427 . 1 1 84 84 TYR N N 15 117.895 0.003 . . . . . . A 84 TYR N . 36097 1
428 . 1 1 85 85 VAL H H 1 8.258 0.003 . . . . . . A 85 VAL H . 36097 1
429 . 1 1 85 85 VAL HA H 1 4.278 0 . . . . . . A 85 VAL HA . 36097 1
430 . 1 1 85 85 VAL HB H 1 1.675 0 . . . . . . A 85 VAL HB . 36097 1
431 . 1 1 85 85 VAL HG11 H 1 0.538 0 . . . . . . A 85 VAL HG11 . 36097 1
432 . 1 1 85 85 VAL HG12 H 1 0.538 0 . . . . . . A 85 VAL HG12 . 36097 1
433 . 1 1 85 85 VAL HG13 H 1 0.538 0 . . . . . . A 85 VAL HG13 . 36097 1
434 . 1 1 85 85 VAL CA C 13 61.079 0 . . . . . . A 85 VAL CA . 36097 1
435 . 1 1 85 85 VAL CB C 13 35.732 0 . . . . . . A 85 VAL CB . 36097 1
436 . 1 1 85 85 VAL N N 15 117.997 0.007 . . . . . . A 85 VAL N . 36097 1
437 . 1 1 86 86 VAL H H 1 8.682 0.003 . . . . . . A 86 VAL H . 36097 1
438 . 1 1 86 86 VAL HA H 1 4.223 0 . . . . . . A 86 VAL HA . 36097 1
439 . 1 1 86 86 VAL CA C 13 58.976 0 . . . . . . A 86 VAL CA . 36097 1
440 . 1 1 86 86 VAL CB C 13 33.875 0 . . . . . . A 86 VAL CB . 36097 1
441 . 1 1 86 86 VAL N N 15 121.174 0 . . . . . . A 86 VAL N . 36097 1
442 . 1 1 87 87 GLN H H 1 7.822 0.006 . . . . . . A 87 GLN H . 36097 1
443 . 1 1 87 87 GLN HA H 1 4.647 0 . . . . . . A 87 GLN HA . 36097 1
444 . 1 1 87 87 GLN HB2 H 1 1.771 0 . . . . . . A 87 GLN HB2 . 36097 1
445 . 1 1 87 87 GLN HG2 H 1 2.237 0 . . . . . . A 87 GLN HG2 . 36097 1
446 . 1 1 87 87 GLN HE21 H 1 6.894 0 . . . . . . A 87 GLN HE21 . 36097 1
447 . 1 1 87 87 GLN CA C 13 57.151 0 . . . . . . A 87 GLN CA . 36097 1
448 . 1 1 87 87 GLN CB C 13 31.073 0 . . . . . . A 87 GLN CB . 36097 1
449 . 1 1 87 87 GLN N N 15 117.576 0 . . . . . . A 87 GLN N . 36097 1
450 . 1 1 90 90 GLY H H 1 9.086 0.006 . . . . . . A 90 GLY H . 36097 1
451 . 1 1 90 90 GLY HA2 H 1 4.25 0 . . . . . . A 90 GLY HA2 . 36097 1
452 . 1 1 90 90 GLY HA3 H 1 3.25 0 . . . . . . A 90 GLY HA3 . 36097 1
453 . 1 1 90 90 GLY CA C 13 47.031 0 . . . . . . A 90 GLY CA . 36097 1
454 . 1 1 90 90 GLY N N 15 102.692 0 . . . . . . A 90 GLY N . 36097 1
455 . 1 1 92 92 TYR H H 1 8.765 0.016 . . . . . . A 92 TYR H . 36097 1
456 . 1 1 92 92 TYR HA H 1 5.031 0 . . . . . . A 92 TYR HA . 36097 1
457 . 1 1 92 92 TYR HB2 H 1 2.812 0 . . . . . . A 92 TYR HB2 . 36097 1
458 . 1 1 92 92 TYR HB3 H 1 2.456 0 . . . . . . A 92 TYR HB3 . 36097 1
459 . 1 1 92 92 TYR HD1 H 1 6.757 0 . . . . . . A 92 TYR HD1 . 36097 1
460 . 1 1 92 92 TYR CA C 13 56.709 0 . . . . . . A 92 TYR CA . 36097 1
461 . 1 1 92 92 TYR CB C 13 41.136 0 . . . . . . A 92 TYR CB . 36097 1
462 . 1 1 92 92 TYR N N 15 121.882 0 . . . . . . A 92 TYR N . 36097 1
463 . 1 1 93 93 GLU H H 1 9.138 0.009 . . . . . . A 93 GLU H . 36097 1
464 . 1 1 93 93 GLU HA H 1 5.031 0 . . . . . . A 93 GLU HA . 36097 1
465 . 1 1 93 93 GLU HB2 H 1 1.917 0 . . . . . . A 93 GLU HB2 . 36097 1
466 . 1 1 93 93 GLU HG2 H 1 2.136 0 . . . . . . A 93 GLU HG2 . 36097 1
467 . 1 1 93 93 GLU CA C 13 55.463 0 . . . . . . A 93 GLU CA . 36097 1
468 . 1 1 93 93 GLU CB C 13 33.106 0 . . . . . . A 93 GLU CB . 36097 1
469 . 1 1 93 93 GLU N N 15 120.232 0.022 . . . . . . A 93 GLU N . 36097 1
470 . 1 1 94 94 VAL H H 1 9.734 0.012 . . . . . . A 94 VAL H . 36097 1
471 . 1 1 94 94 VAL HA H 1 5.236 0 . . . . . . A 94 VAL HA . 36097 1
472 . 1 1 94 94 VAL HB H 1 1.894 0 . . . . . . A 94 VAL HB . 36097 1
473 . 1 1 94 94 VAL HG11 H 1 0.525 0 . . . . . . A 94 VAL HG11 . 36097 1
474 . 1 1 94 94 VAL HG12 H 1 0.525 0 . . . . . . A 94 VAL HG12 . 36097 1
475 . 1 1 94 94 VAL HG13 H 1 0.525 0 . . . . . . A 94 VAL HG13 . 36097 1
476 . 1 1 94 94 VAL CA C 13 61.766 0 . . . . . . A 94 VAL CA . 36097 1
477 . 1 1 94 94 VAL CB C 13 33.206 0 . . . . . . A 94 VAL CB . 36097 1
478 . 1 1 94 94 VAL N N 15 130.565 0.005 . . . . . . A 94 VAL N . 36097 1
479 . 1 1 95 95 SER H H 1 9.675 0.003 . . . . . . A 95 SER H . 36097 1
480 . 1 1 95 95 SER HA H 1 4.88 0 . . . . . . A 95 SER HA . 36097 1
481 . 1 1 95 95 SER HB2 H 1 3.728 0 . . . . . . A 95 SER HB2 . 36097 1
482 . 1 1 95 95 SER CA C 13 57.449 0 . . . . . . A 95 SER CA . 36097 1
483 . 1 1 95 95 SER CB C 13 66.127 0 . . . . . . A 95 SER CB . 36097 1
484 . 1 1 95 95 SER N N 15 122.611 0.019 . . . . . . A 95 SER N . 36097 1
485 . 1 1 96 96 VAL H H 1 9.327 0.004 . . . . . . A 96 VAL H . 36097 1
486 . 1 1 96 96 VAL HA H 1 5.154 0 . . . . . . A 96 VAL HA . 36097 1
487 . 1 1 96 96 VAL HB H 1 2.072 0 . . . . . . A 96 VAL HB . 36097 1
488 . 1 1 96 96 VAL HG11 H 1 0.908 0 . . . . . . A 96 VAL HG11 . 36097 1
489 . 1 1 96 96 VAL HG12 H 1 0.908 0 . . . . . . A 96 VAL HG12 . 36097 1
490 . 1 1 96 96 VAL HG13 H 1 0.908 0 . . . . . . A 96 VAL HG13 . 36097 1
491 . 1 1 96 96 VAL CA C 13 62.004 0 . . . . . . A 96 VAL CA . 36097 1
492 . 1 1 96 96 VAL CB C 13 34.456 0 . . . . . . A 96 VAL CB . 36097 1
493 . 1 1 96 96 VAL N N 15 124.56 0.002 . . . . . . A 96 VAL N . 36097 1
494 . 1 1 97 97 LYS H H 1 8.888 0.003 . . . . . . A 97 LYS H . 36097 1
495 . 1 1 97 97 LYS HA H 1 5.099 0 . . . . . . A 97 LYS HA . 36097 1
496 . 1 1 97 97 LYS HB2 H 1 1.401 0 . . . . . . A 97 LYS HB2 . 36097 1
497 . 1 1 97 97 LYS CA C 13 54.582 0 . . . . . . A 97 LYS CA . 36097 1
498 . 1 1 97 97 LYS CB C 13 37.571 0 . . . . . . A 97 LYS CB . 36097 1
499 . 1 1 97 97 LYS N N 15 123.59 0 . . . . . . A 97 LYS N . 36097 1
500 . 1 1 98 98 PHE H H 1 9.05 0.009 . . . . . . A 98 PHE H . 36097 1
501 . 1 1 98 98 PHE HA H 1 5.086 0 . . . . . . A 98 PHE HA . 36097 1
502 . 1 1 98 98 PHE HB2 H 1 2.809 0 . . . . . . A 98 PHE HB2 . 36097 1
503 . 1 1 98 98 PHE HB3 H 1 2.411 0 . . . . . . A 98 PHE HB3 . 36097 1
504 . 1 1 98 98 PHE HD1 H 1 7.459 0 . . . . . . A 98 PHE HD1 . 36097 1
505 . 1 1 98 98 PHE CA C 13 56.493 0 . . . . . . A 98 PHE CA . 36097 1
506 . 1 1 98 98 PHE CB C 13 43.843 0 . . . . . . A 98 PHE CB . 36097 1
507 . 1 1 98 98 PHE N N 15 123.231 0.008 . . . . . . A 98 PHE N . 36097 1
508 . 1 1 99 99 ASN H H 1 9.32 0.01 . . . . . . A 99 ASN H . 36097 1
509 . 1 1 99 99 ASN HA H 1 4.278 0 . . . . . . A 99 ASN HA . 36097 1
510 . 1 1 99 99 ASN HB2 H 1 2.716 0 . . . . . . A 99 ASN HB2 . 36097 1
511 . 1 1 99 99 ASN HB3 H 1 2.935 0 . . . . . . A 99 ASN HB3 . 36097 1
512 . 1 1 99 99 ASN CA C 13 54.682 0 . . . . . . A 99 ASN CA . 36097 1
513 . 1 1 99 99 ASN CB C 13 36.815 0 . . . . . . A 99 ASN CB . 36097 1
514 . 1 1 99 99 ASN N N 15 128.486 0 . . . . . . A 99 ASN N . 36097 1
515 . 1 1 100 100 GLU H H 1 8.864 0.004 . . . . . . A 100 GLU H . 36097 1
516 . 1 1 100 100 GLU HA H 1 3.401 0 . . . . . . A 100 GLU HA . 36097 1
517 . 1 1 100 100 GLU HB2 H 1 1.922 0 . . . . . . A 100 GLU HB2 . 36097 1
518 . 1 1 100 100 GLU HG2 H 1 2.1 0 . . . . . . A 100 GLU HG2 . 36097 1
519 . 1 1 100 100 GLU CA C 13 58.419 0 . . . . . . A 100 GLU CA . 36097 1
520 . 1 1 100 100 GLU CB C 13 27.437 0 . . . . . . A 100 GLU CB . 36097 1
521 . 1 1 100 100 GLU N N 15 105.597 0.005 . . . . . . A 100 GLU N . 36097 1
522 . 1 1 101 101 GLU H H 1 7.461 0.009 . . . . . . A 101 GLU H . 36097 1
523 . 1 1 101 101 GLU HA H 1 4.689 0 . . . . . . A 101 GLU HA . 36097 1
524 . 1 1 101 101 GLU HB2 H 1 1.963 0 . . . . . . A 101 GLU HB2 . 36097 1
525 . 1 1 101 101 GLU HG2 H 1 2.305 0 . . . . . . A 101 GLU HG2 . 36097 1
526 . 1 1 101 101 GLU CA C 13 54.947 0 . . . . . . A 101 GLU CA . 36097 1
527 . 1 1 101 101 GLU CB C 13 33.395 0 . . . . . . A 101 GLU CB . 36097 1
528 . 1 1 101 101 GLU N N 15 119.92 0 . . . . . . A 101 GLU N . 36097 1
529 . 1 1 102 102 HIS H H 1 8.76 0.002 . . . . . . A 102 HIS H . 36097 1
530 . 1 1 102 102 HIS HA H 1 4.689 0 . . . . . . A 102 HIS HA . 36097 1
531 . 1 1 102 102 HIS CA C 13 59.692 0 . . . . . . A 102 HIS CA . 36097 1
532 . 1 1 102 102 HIS CB C 13 33.117 0 . . . . . . A 102 HIS CB . 36097 1
533 . 1 1 102 102 HIS N N 15 123.119 0.001 . . . . . . A 102 HIS N . 36097 1
534 . 1 1 103 103 ILE H H 1 8.024 0.003 . . . . . . A 103 ILE H . 36097 1
535 . 1 1 103 103 ILE HA H 1 4.401 0 . . . . . . A 103 ILE HA . 36097 1
536 . 1 1 103 103 ILE HB H 1 2.113 0 . . . . . . A 103 ILE HB . 36097 1
537 . 1 1 103 103 ILE CA C 13 61.284 0 . . . . . . A 103 ILE CA . 36097 1
538 . 1 1 103 103 ILE CB C 13 35.7 0 . . . . . . A 103 ILE CB . 36097 1
539 . 1 1 103 103 ILE N N 15 118.004 0 . . . . . . A 103 ILE N . 36097 1
540 . 1 1 105 105 ASP H H 1 7.992 0.006 . . . . . . A 105 ASP H . 36097 1
541 . 1 1 105 105 ASP HA H 1 3.812 0 . . . . . . A 105 ASP HA . 36097 1
542 . 1 1 105 105 ASP HB2 H 1 3.278 0 . . . . . . A 105 ASP HB2 . 36097 1
543 . 1 1 105 105 ASP CA C 13 57.375 0 . . . . . . A 105 ASP CA . 36097 1
544 . 1 1 105 105 ASP CB C 13 40.313 0 . . . . . . A 105 ASP CB . 36097 1
545 . 1 1 105 105 ASP N N 15 114.791 0.005 . . . . . . A 105 ASP N . 36097 1
546 . 1 1 106 106 SER H H 1 7.405 0.012 . . . . . . A 106 SER H . 36097 1
547 . 1 1 106 106 SER HA H 1 3.728 0 . . . . . . A 106 SER HA . 36097 1
548 . 1 1 106 106 SER CA C 13 55.326 0 . . . . . . A 106 SER CA . 36097 1
549 . 1 1 106 106 SER CB C 13 63.781 0 . . . . . . A 106 SER CB . 36097 1
550 . 1 1 106 106 SER N N 15 111.905 0.005 . . . . . . A 106 SER N . 36097 1
551 . 1 1 108 108 PHE H H 1 9.303 0.004 . . . . . . A 108 PHE H . 36097 1
552 . 1 1 108 108 PHE HA H 1 5.182 0 . . . . . . A 108 PHE HA . 36097 1
553 . 1 1 108 108 PHE HB2 H 1 2.867 0 . . . . . . A 108 PHE HB2 . 36097 1
554 . 1 1 108 108 PHE HD1 H 1 7.195 0 . . . . . . A 108 PHE HD1 . 36097 1
555 . 1 1 108 108 PHE CA C 13 57.091 0 . . . . . . A 108 PHE CA . 36097 1
556 . 1 1 108 108 PHE CB C 13 41.002 0 . . . . . . A 108 PHE CB . 36097 1
557 . 1 1 108 108 PHE N N 15 121.463 0 . . . . . . A 108 PHE N . 36097 1
558 . 1 1 109 109 VAL H H 1 8.723 0.007 . . . . . . A 109 VAL H . 36097 1
559 . 1 1 109 109 VAL HA H 1 4.661 0 . . . . . . A 109 VAL HA . 36097 1
560 . 1 1 109 109 VAL HB H 1 1.894 0 . . . . . . A 109 VAL HB . 36097 1
561 . 1 1 109 109 VAL HG11 H 1 0.785 0 . . . . . . A 109 VAL HG11 . 36097 1
562 . 1 1 109 109 VAL HG12 H 1 0.785 0 . . . . . . A 109 VAL HG12 . 36097 1
563 . 1 1 109 109 VAL HG13 H 1 0.785 0 . . . . . . A 109 VAL HG13 . 36097 1
564 . 1 1 109 109 VAL CA C 13 63.092 0 . . . . . . A 109 VAL CA . 36097 1
565 . 1 1 109 109 VAL CB C 13 32.022 0 . . . . . . A 109 VAL CB . 36097 1
566 . 1 1 109 109 VAL N N 15 124.573 0.007 . . . . . . A 109 VAL N . 36097 1
567 . 1 1 110 110 VAL H H 1 9.436 0.007 . . . . . . A 110 VAL H . 36097 1
568 . 1 1 110 110 VAL HA H 1 4.552 0 . . . . . . A 110 VAL HA . 36097 1
569 . 1 1 110 110 VAL HB H 1 1.812 0 . . . . . . A 110 VAL HB . 36097 1
570 . 1 1 110 110 VAL HG11 H 1 0.703 0 . . . . . . A 110 VAL HG11 . 36097 1
571 . 1 1 110 110 VAL HG12 H 1 0.703 0 . . . . . . A 110 VAL HG12 . 36097 1
572 . 1 1 110 110 VAL HG13 H 1 0.703 0 . . . . . . A 110 VAL HG13 . 36097 1
573 . 1 1 110 110 VAL CA C 13 60.203 0 . . . . . . A 110 VAL CA . 36097 1
574 . 1 1 110 110 VAL CB C 13 35.746 0 . . . . . . A 110 VAL CB . 36097 1
575 . 1 1 110 110 VAL N N 15 131.986 0 . . . . . . A 110 VAL N . 36097 1
576 . 1 1 112 112 VAL H H 1 9.099 0.01 . . . . . . A 112 VAL H . 36097 1
577 . 1 1 112 112 VAL HA H 1 4.963 0 . . . . . . A 112 VAL HA . 36097 1
578 . 1 1 112 112 VAL HB H 1 2.305 0 . . . . . . A 112 VAL HB . 36097 1
579 . 1 1 112 112 VAL HG11 H 1 0.73 0 . . . . . . A 112 VAL HG11 . 36097 1
580 . 1 1 112 112 VAL HG12 H 1 0.73 0 . . . . . . A 112 VAL HG12 . 36097 1
581 . 1 1 112 112 VAL HG13 H 1 0.73 0 . . . . . . A 112 VAL HG13 . 36097 1
582 . 1 1 112 112 VAL HG21 H 1 0.483 0 . . . . . . A 112 VAL HG21 . 36097 1
583 . 1 1 112 112 VAL HG22 H 1 0.483 0 . . . . . . A 112 VAL HG22 . 36097 1
584 . 1 1 112 112 VAL HG23 H 1 0.483 0 . . . . . . A 112 VAL HG23 . 36097 1
585 . 1 1 112 112 VAL CA C 13 62.247 0 . . . . . . A 112 VAL CA . 36097 1
586 . 1 1 112 112 VAL CB C 13 32.282 0 . . . . . . A 112 VAL CB . 36097 1
587 . 1 1 112 112 VAL N N 15 126.199 0.001 . . . . . . A 112 VAL N . 36097 1
588 . 1 1 113 113 ALA H H 1 8.494 0.007 . . . . . . A 113 ALA H . 36097 1
589 . 1 1 113 113 ALA HA H 1 4.441 0 . . . . . . A 113 ALA HA . 36097 1
590 . 1 1 113 113 ALA HB1 H 1 1.497 0 . . . . . . A 113 ALA HB1 . 36097 1
591 . 1 1 113 113 ALA HB2 H 1 1.497 0 . . . . . . A 113 ALA HB2 . 36097 1
592 . 1 1 113 113 ALA HB3 H 1 1.497 0 . . . . . . A 113 ALA HB3 . 36097 1
593 . 1 1 113 113 ALA CA C 13 51.647 0 . . . . . . A 113 ALA CA . 36097 1
594 . 1 1 113 113 ALA CB C 13 22.12 0 . . . . . . A 113 ALA CB . 36097 1
595 . 1 1 113 113 ALA N N 15 131.622 0 . . . . . . A 113 ALA N . 36097 1
596 . 1 1 114 114 SER H H 1 8.613 0.003 . . . . . . A 114 SER H . 36097 1
597 . 1 1 114 114 SER HA H 1 4.634 0 . . . . . . A 114 SER HA . 36097 1
598 . 1 1 114 114 SER HB2 H 1 3.812 0 . . . . . . A 114 SER HB2 . 36097 1
599 . 1 1 114 114 SER CA C 13 58.086 0 . . . . . . A 114 SER CA . 36097 1
600 . 1 1 114 114 SER CB C 13 63.489 0 . . . . . . A 114 SER CB . 36097 1
601 . 1 1 114 114 SER N N 15 116.195 0.012 . . . . . . A 114 SER N . 36097 1
602 . 1 1 116 116 SER H H 1 8.036 0.015 . . . . . . A 116 SER H . 36097 1
603 . 1 1 116 116 SER HA H 1 4.195 0 . . . . . . A 116 SER HA . 36097 1
604 . 1 1 116 116 SER HB2 H 1 3.798 0 . . . . . . A 116 SER HB2 . 36097 1
605 . 1 1 116 116 SER CA C 13 60.532 0 . . . . . . A 116 SER CA . 36097 1
606 . 1 1 116 116 SER CB C 13 65.635 0 . . . . . . A 116 SER CB . 36097 1
607 . 1 1 116 116 SER N N 15 122.538 0 . . . . . . A 116 SER N . 36097 1
stop_
save_