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 16627
_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 'For stereo assignments 3D HN(CO)HB and 3D HAHB(CACO)NH experiments were also carried out.'
_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 '3D CBCA(CO)NH' . . . 16627 1
2 '3D HBHA(CO)NH' . . . 16627 1
3 '3D HNCO' . . . 16627 1
4 '3D HNHB' . . . 16627 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 MET HA H 1 3.87 0.010 . 1 . . . . 1 MET HA . 16627 1
2 . 1 1 1 1 MET HB2 H 1 1.85 0.010 . 2 . . . . 1 MET HB2 . 16627 1
3 . 1 1 1 1 MET HB3 H 1 1.85 0.010 . 2 . . . . 1 MET HB3 . 16627 1
4 . 1 1 1 1 MET C C 13 181.16 0.040 . 1 . . . . 1 MET C . 16627 1
5 . 1 1 1 1 MET CA C 13 54.81 0.040 . 1 . . . . 1 MET CA . 16627 1
6 . 1 1 1 1 MET CB C 13 32.66 0.040 . 1 . . . . 1 MET CB . 16627 1
7 . 1 1 2 2 GLN H H 1 8.54 0.010 . 1 . . . . 2 GLN H . 16627 1
8 . 1 1 2 2 GLN HA H 1 4.19 0.010 . 1 . . . . 2 GLN HA . 16627 1
9 . 1 1 2 2 GLN HB2 H 1 1.70 0.010 . 1 . . . . 2 GLN HB2 . 16627 1
10 . 1 1 2 2 GLN HB3 H 1 1.77 0.010 . 1 . . . . 2 GLN HB3 . 16627 1
11 . 1 1 2 2 GLN C C 13 174.77 0.040 . 1 . . . . 2 GLN C . 16627 1
12 . 1 1 2 2 GLN CA C 13 55.32 0.040 . 1 . . . . 2 GLN CA . 16627 1
13 . 1 1 2 2 GLN CB C 13 29.71 0.040 . 1 . . . . 2 GLN CB . 16627 1
14 . 1 1 2 2 GLN N N 15 123.37 0.040 . 1 . . . . 2 GLN N . 16627 1
15 . 1 1 3 3 TYR H H 1 8.22 0.010 . 1 . . . . 3 TYR H . 16627 1
16 . 1 1 3 3 TYR HA H 1 4.35 0.010 . 1 . . . . 3 TYR HA . 16627 1
17 . 1 1 3 3 TYR HB2 H 1 2.65 0.010 . 1 . . . . 3 TYR HB2 . 16627 1
18 . 1 1 3 3 TYR HB3 H 1 2.80 0.010 . 1 . . . . 3 TYR HB3 . 16627 1
19 . 1 1 3 3 TYR C C 13 175.19 0.040 . 1 . . . . 3 TYR C . 16627 1
20 . 1 1 3 3 TYR CA C 13 57.52 0.040 . 1 . . . . 3 TYR CA . 16627 1
21 . 1 1 3 3 TYR CB C 13 38.92 0.040 . 1 . . . . 3 TYR CB . 16627 1
22 . 1 1 3 3 TYR N N 15 122.67 0.040 . 1 . . . . 3 TYR N . 16627 1
23 . 1 1 4 4 LYS H H 1 8.18 0.010 . 1 . . . . 4 LYS H . 16627 1
24 . 1 1 4 4 LYS HA H 1 4.07 0.010 . 1 . . . . 4 LYS HA . 16627 1
25 . 1 1 4 4 LYS HB2 H 1 1.46 0.010 . 1 . . . . 4 LYS HB2 . 16627 1
26 . 1 1 4 4 LYS HB3 H 1 1.52 0.010 . 1 . . . . 4 LYS HB3 . 16627 1
27 . 1 1 4 4 LYS C C 13 175.44 0.040 . 1 . . . . 4 LYS C . 16627 1
28 . 1 1 4 4 LYS CA C 13 55.77 0.040 . 1 . . . . 4 LYS CA . 16627 1
29 . 1 1 4 4 LYS CB C 13 33.24 0.040 . 1 . . . . 4 LYS CB . 16627 1
30 . 1 1 4 4 LYS N N 15 123.22 0.040 . 1 . . . . 4 LYS N . 16627 1
31 . 1 1 5 5 LEU H H 1 8.07 0.010 . 1 . . . . 5 LEU H . 16627 1
32 . 1 1 5 5 LEU HA H 1 4.12 0.010 . 1 . . . . 5 LEU HA . 16627 1
33 . 1 1 5 5 LEU HB2 H 1 1.32 0.010 . 2 . . . . 5 LEU HB2 . 16627 1
34 . 1 1 5 5 LEU HB3 H 1 1.32 0.010 . 2 . . . . 5 LEU HB3 . 16627 1
35 . 1 1 5 5 LEU C C 13 176.34 0.040 . 1 . . . . 5 LEU C . 16627 1
36 . 1 1 5 5 LEU CA C 13 54.81 0.040 . 1 . . . . 5 LEU CA . 16627 1
37 . 1 1 5 5 LEU CB C 13 42.43 0.040 . 1 . . . . 5 LEU CB . 16627 1
38 . 1 1 5 5 LEU N N 15 124.20 0.040 . 1 . . . . 5 LEU N . 16627 1
39 . 1 1 6 6 ILE H H 1 8.15 0.010 . 1 . . . . 6 ILE H . 16627 1
40 . 1 1 6 6 ILE HA H 1 3.94 0.010 . 1 . . . . 6 ILE HA . 16627 1
41 . 1 1 6 6 ILE HB H 1 1.59 0.010 . 1 . . . . 6 ILE HB . 16627 1
42 . 1 1 6 6 ILE C C 13 175.67 0.040 . 1 . . . . 6 ILE C . 16627 1
43 . 1 1 6 6 ILE CA C 13 60.52 0.040 . 1 . . . . 6 ILE CA . 16627 1
44 . 1 1 6 6 ILE CB C 13 38.10 0.040 . 1 . . . . 6 ILE CB . 16627 1
45 . 1 1 6 6 ILE N N 15 123.80 0.040 . 1 . . . . 6 ILE N . 16627 1
46 . 1 1 7 7 LEU H H 1 8.21 0.010 . 1 . . . . 7 LEU H . 16627 1
47 . 1 1 7 7 LEU HA H 1 4.19 0.010 . 1 . . . . 7 LEU HA . 16627 1
48 . 1 1 7 7 LEU HB2 H 1 1.40 0.010 . 1 . . . . 7 LEU HB2 . 16627 1
49 . 1 1 7 7 LEU HB3 H 1 1.31 0.010 . 1 . . . . 7 LEU HB3 . 16627 1
50 . 1 1 7 7 LEU C C 13 176.53 0.040 . 1 . . . . 7 LEU C . 16627 1
51 . 1 1 7 7 LEU CA C 13 54.42 0.040 . 1 . . . . 7 LEU CA . 16627 1
52 . 1 1 7 7 LEU CB C 13 42.12 0.040 . 1 . . . . 7 LEU CB . 16627 1
53 . 1 1 7 7 LEU N N 15 127.09 0.040 . 1 . . . . 7 LEU N . 16627 1
54 . 1 1 8 8 ASN H H 1 8.27 0.010 . 1 . . . . 8 ASN H . 16627 1
55 . 1 1 8 8 ASN HA H 1 4.48 0.010 . 1 . . . . 8 ASN HA . 16627 1
56 . 1 1 8 8 ASN HB2 H 1 2.57 0.010 . 1 . . . . 8 ASN HB2 . 16627 1
57 . 1 1 8 8 ASN HB3 H 1 2.62 0.010 . 1 . . . . 8 ASN HB3 . 16627 1
58 . 1 1 8 8 ASN C C 13 175.34 0.040 . 1 . . . . 8 ASN C . 16627 1
59 . 1 1 8 8 ASN CA C 13 53.01 0.040 . 1 . . . . 8 ASN CA . 16627 1
60 . 1 1 8 8 ASN CB C 13 38.87 0.040 . 1 . . . . 8 ASN CB . 16627 1
61 . 1 1 8 8 ASN N N 15 119.63 0.040 . 1 . . . . 8 ASN N . 16627 1
62 . 1 1 9 9 GLY H H 1 8.17 0.010 . 1 . . . . 9 GLY H . 16627 1
63 . 1 1 9 9 GLY HA2 H 1 3.74 0.010 . 2 . . . . 9 GLY HA2 . 16627 1
64 . 1 1 9 9 GLY HA3 H 1 3.69 0.010 . 2 . . . . 9 GLY HA3 . 16627 1
65 . 1 1 9 9 GLY C C 13 173.64 0.040 . 1 . . . . 9 GLY C . 16627 1
66 . 1 1 9 9 GLY CA C 13 45.16 0.040 . 1 . . . . 9 GLY CA . 16627 1
67 . 1 1 9 9 GLY N N 15 108.73 0.040 . 1 . . . . 9 GLY N . 16627 1
68 . 1 1 10 10 LYS H H 1 7.96 0.010 . 1 . . . . 10 LYS H . 16627 1
69 . 1 1 10 10 LYS HA H 1 4.18 0.010 . 1 . . . . 10 LYS HA . 16627 1
70 . 1 1 10 10 LYS HB2 H 1 1.53 0.010 . 1 . . . . 10 LYS HB2 . 16627 1
71 . 1 1 10 10 LYS HB3 H 1 1.61 0.010 . 1 . . . . 10 LYS HB3 . 16627 1
72 . 1 1 10 10 LYS C C 13 176.46 0.040 . 1 . . . . 10 LYS C . 16627 1
73 . 1 1 10 10 LYS CA C 13 56.13 0.040 . 1 . . . . 10 LYS CA . 16627 1
74 . 1 1 10 10 LYS CB C 13 33.19 0.040 . 1 . . . . 10 LYS CB . 16627 1
75 . 1 1 10 10 LYS N N 15 120.41 0.040 . 1 . . . . 10 LYS N . 16627 1
76 . 1 1 11 11 THR H H 1 8.00 0.010 . 1 . . . . 11 THR H . 16627 1
77 . 1 1 11 11 THR HA H 1 4.13 0.010 . 1 . . . . 11 THR HA . 16627 1
78 . 1 1 11 11 THR HB H 1 3.96 0.010 . 1 . . . . 11 THR HB . 16627 1
79 . 1 1 11 11 THR C C 13 174.18 0.040 . 1 . . . . 11 THR C . 16627 1
80 . 1 1 11 11 THR CA C 13 61.49 0.040 . 1 . . . . 11 THR CA . 16627 1
81 . 1 1 11 11 THR CB C 13 69.78 0.040 . 1 . . . . 11 THR CB . 16627 1
82 . 1 1 11 11 THR N N 15 115.24 0.040 . 1 . . . . 11 THR N . 16627 1
83 . 1 1 12 12 LEU H H 1 8.09 0.010 . 1 . . . . 12 LEU H . 16627 1
84 . 1 1 12 12 LEU HA H 1 4.16 0.010 . 1 . . . . 12 LEU HA . 16627 1
85 . 1 1 12 12 LEU HB2 H 1 1.39 0.010 . 2 . . . . 12 LEU HB2 . 16627 1
86 . 1 1 12 12 LEU HB3 H 1 1.39 0.010 . 2 . . . . 12 LEU HB3 . 16627 1
87 . 1 1 12 12 LEU C C 13 176.90 0.040 . 1 . . . . 12 LEU C . 16627 1
88 . 1 1 12 12 LEU CA C 13 54.81 0.040 . 1 . . . . 12 LEU CA . 16627 1
89 . 1 1 12 12 LEU CB C 13 42.09 0.040 . 1 . . . . 12 LEU CB . 16627 1
90 . 1 1 12 12 LEU N N 15 124.82 0.040 . 1 . . . . 12 LEU N . 16627 1
91 . 1 1 13 13 LYS H H 1 8.19 0.010 . 1 . . . . 13 LYS H . 16627 1
92 . 1 1 13 13 LYS HA H 1 4.07 0.010 . 1 . . . . 13 LYS HA . 16627 1
93 . 1 1 13 13 LYS HB2 H 1 1.53 0.010 . 1 . . . . 13 LYS HB2 . 16627 1
94 . 1 1 13 13 LYS HB3 H 1 1.60 0.010 . 1 . . . . 13 LYS HB3 . 16627 1
95 . 1 1 13 13 LYS C C 13 176.74 0.040 . 1 . . . . 13 LYS C . 16627 1
96 . 1 1 13 13 LYS CA C 13 56.30 0.040 . 1 . . . . 13 LYS CA . 16627 1
97 . 1 1 13 13 LYS CB C 13 32.87 0.040 . 1 . . . . 13 LYS CB . 16627 1
98 . 1 1 13 13 LYS N N 15 122.31 0.040 . 1 . . . . 13 LYS N . 16627 1
99 . 1 1 14 14 GLY H H 1 8.19 0.010 . 1 . . . . 14 GLY H . 16627 1
100 . 1 1 14 14 GLY HA2 H 1 3.75 0.010 . 2 . . . . 14 GLY HA2 . 16627 1
101 . 1 1 14 14 GLY HA3 H 1 3.75 0.010 . 2 . . . . 14 GLY HA3 . 16627 1
102 . 1 1 14 14 GLY C C 13 177.26 0.040 . 1 . . . . 14 GLY C . 16627 1
103 . 1 1 14 14 GLY CA C 13 45.06 0.040 . 1 . . . . 14 GLY CA . 16627 1
104 . 1 1 14 14 GLY N N 15 109.87 0.040 . 1 . . . . 14 GLY N . 16627 1
105 . 1 1 15 15 GLU H H 1 8.00 0.010 . 1 . . . . 15 GLU H . 16627 1
106 . 1 1 15 15 GLU HA H 1 4.26 0.010 . 1 . . . . 15 GLU HA . 16627 1
107 . 1 1 15 15 GLU HB2 H 1 1.78 0.010 . 1 . . . . 15 GLU HB2 . 16627 1
108 . 1 1 15 15 GLU HB3 H 1 1.91 0.010 . 1 . . . . 15 GLU HB3 . 16627 1
109 . 1 1 15 15 GLU C C 13 175.99 0.040 . 1 . . . . 15 GLU C . 16627 1
110 . 1 1 15 15 GLU CA C 13 55.40 0.040 . 1 . . . . 15 GLU CA . 16627 1
111 . 1 1 15 15 GLU CB C 13 28.95 0.040 . 1 . . . . 15 GLU CB . 16627 1
112 . 1 1 15 15 GLU N N 15 119.37 0.040 . 1 . . . . 15 GLU N . 16627 1
113 . 1 1 16 16 THR H H 1 8.09 0.010 . 1 . . . . 16 THR H . 16627 1
114 . 1 1 16 16 THR HA H 1 4.24 0.010 . 1 . . . . 16 THR HA . 16627 1
115 . 1 1 16 16 THR HB H 1 4.04 0.010 . 1 . . . . 16 THR HB . 16627 1
116 . 1 1 16 16 THR C C 13 174.49 0.040 . 1 . . . . 16 THR C . 16627 1
117 . 1 1 16 16 THR CA C 13 61.48 0.040 . 1 . . . . 16 THR CA . 16627 1
118 . 1 1 16 16 THR CB C 13 69.80 0.040 . 1 . . . . 16 THR CB . 16627 1
119 . 1 1 16 16 THR N N 15 114.96 0.040 . 1 . . . . 16 THR N . 16627 1
120 . 1 1 17 17 THR H H 1 8.05 0.010 . 1 . . . . 17 THR H . 16627 1
121 . 1 1 17 17 THR HA H 1 4.24 0.010 . 1 . . . . 17 THR HA . 16627 1
122 . 1 1 17 17 THR HB H 1 4.05 0.010 . 1 . . . . 17 THR HB . 16627 1
123 . 1 1 17 17 THR C C 13 174.46 0.040 . 1 . . . . 17 THR C . 16627 1
124 . 1 1 17 17 THR CA C 13 61.48 0.040 . 1 . . . . 17 THR CA . 16627 1
125 . 1 1 17 17 THR CB C 13 69.77 0.040 . 1 . . . . 17 THR CB . 16627 1
126 . 1 1 17 17 THR N N 15 115.81 0.040 . 1 . . . . 17 THR N . 16627 1
127 . 1 1 18 18 THR H H 1 7.97 0.010 . 1 . . . . 18 THR H . 16627 1
128 . 1 1 18 18 THR HA H 1 4.13 0.010 . 1 . . . . 18 THR HA . 16627 1
129 . 1 1 18 18 THR HB H 1 4.00 0.010 . 1 . . . . 18 THR HB . 16627 1
130 . 1 1 18 18 THR C C 13 174.21 0.040 . 1 . . . . 18 THR C . 16627 1
131 . 1 1 18 18 THR CA C 13 61.73 0.040 . 1 . . . . 18 THR CA . 16627 1
132 . 1 1 18 18 THR CB C 13 69.53 0.040 . 1 . . . . 18 THR CB . 16627 1
133 . 1 1 18 18 THR N N 15 115.71 0.040 . 1 . . . . 18 THR N . 16627 1
134 . 1 1 19 19 GLU H H 1 8.08 0.010 . 1 . . . . 19 GLU H . 16627 1
135 . 1 1 19 19 GLU HA H 1 4.14 0.010 . 1 . . . . 19 GLU HA . 16627 1
136 . 1 1 19 19 GLU HB2 H 1 1.75 0.010 . 1 . . . . 19 GLU HB2 . 16627 1
137 . 1 1 19 19 GLU HB3 H 1 1.87 0.010 . 1 . . . . 19 GLU HB3 . 16627 1
138 . 1 1 19 19 GLU C C 13 175.36 0.040 . 1 . . . . 19 GLU C . 16627 1
139 . 1 1 19 19 GLU CA C 13 55.47 0.040 . 1 . . . . 19 GLU CA . 16627 1
140 . 1 1 19 19 GLU CB C 13 28.79 0.040 . 1 . . . . 19 GLU CB . 16627 1
141 . 1 1 19 19 GLU N N 15 122.19 0.040 . 1 . . . . 19 GLU N . 16627 1
142 . 1 1 20 20 ALA H H 1 8.10 0.010 . 1 . . . . 20 ALA H . 16627 1
143 . 1 1 20 20 ALA HA H 1 4.10 0.010 . 1 . . . . 20 ALA HA . 16627 1
144 . 1 1 20 20 ALA HB1 H 1 1.15 0.010 . 1 . . . . 20 ALA HB . 16627 1
145 . 1 1 20 20 ALA HB2 H 1 1.15 0.010 . 1 . . . . 20 ALA HB . 16627 1
146 . 1 1 20 20 ALA HB3 H 1 1.15 0.010 . 1 . . . . 20 ALA HB . 16627 1
147 . 1 1 20 20 ALA C C 13 177.44 0.040 . 1 . . . . 20 ALA C . 16627 1
148 . 1 1 20 20 ALA CA C 13 52.25 0.040 . 1 . . . . 20 ALA CA . 16627 1
149 . 1 1 20 20 ALA CB C 13 19.00 0.040 . 1 . . . . 20 ALA CB . 16627 1
150 . 1 1 20 20 ALA N N 15 125.30 0.040 . 1 . . . . 20 ALA N . 16627 1
151 . 1 1 21 21 VAL H H 1 7.87 0.010 . 1 . . . . 21 VAL H . 16627 1
152 . 1 1 21 21 VAL HA H 1 3.83 0.010 . 1 . . . . 21 VAL HA . 16627 1
153 . 1 1 21 21 VAL HB H 1 1.82 0.010 . 1 . . . . 21 VAL HB . 16627 1
154 . 1 1 21 21 VAL C C 13 175.78 0.040 . 1 . . . . 21 VAL C . 16627 1
155 . 1 1 21 21 VAL CA C 13 62.31 0.040 . 1 . . . . 21 VAL CA . 16627 1
156 . 1 1 21 21 VAL CB C 13 32.61 0.040 . 1 . . . . 21 VAL CB . 16627 1
157 . 1 1 21 21 VAL N N 15 118.85 0.040 . 1 . . . . 21 VAL N . 16627 1
158 . 1 1 22 22 ASP H H 1 8.26 0.010 . 1 . . . . 22 ASP H . 16627 1
159 . 1 1 22 22 ASP HA H 1 4.49 0.010 . 1 . . . . 22 ASP HA . 16627 1
160 . 1 1 22 22 ASP HB2 H 1 2.62 0.010 . 1 . . . . 22 ASP HB2 . 16627 1
161 . 1 1 22 22 ASP HB3 H 1 2.75 0.010 . 1 . . . . 22 ASP HB3 . 16627 1
162 . 1 1 22 22 ASP C C 13 174.51 0.040 . 1 . . . . 22 ASP C . 16627 1
163 . 1 1 22 22 ASP CA C 13 52.58 0.040 . 1 . . . . 22 ASP CA . 16627 1
164 . 1 1 22 22 ASP CB C 13 37.70 0.040 . 1 . . . . 22 ASP CB . 16627 1
165 . 1 1 22 22 ASP N N 15 121.81 0.040 . 1 . . . . 22 ASP N . 16627 1
166 . 1 1 23 23 ALA H H 1 8.00 0.010 . 1 . . . . 23 ALA H . 16627 1
167 . 1 1 23 23 ALA HA H 1 4.05 0.010 . 1 . . . . 23 ALA HA . 16627 1
168 . 1 1 23 23 ALA HB1 H 1 1.17 0.010 . 1 . . . . 23 ALA HB . 16627 1
169 . 1 1 23 23 ALA HB2 H 1 1.17 0.010 . 1 . . . . 23 ALA HB . 16627 1
170 . 1 1 23 23 ALA HB3 H 1 1.17 0.010 . 1 . . . . 23 ALA HB . 16627 1
171 . 1 1 23 23 ALA C C 13 177.24 0.040 . 1 . . . . 23 ALA C . 16627 1
172 . 1 1 23 23 ALA CA C 13 52.60 0.040 . 1 . . . . 23 ALA CA . 16627 1
173 . 1 1 23 23 ALA CB C 13 19.07 0.040 . 1 . . . . 23 ALA CB . 16627 1
174 . 1 1 23 23 ALA N N 15 124.45 0.040 . 1 . . . . 23 ALA N . 16627 1
175 . 1 1 24 24 ALA H H 1 7.96 0.010 . 1 . . . . 24 ALA H . 16627 1
176 . 1 1 24 24 ALA HA H 1 4.11 0.010 . 1 . . . . 24 ALA HA . 16627 1
177 . 1 1 24 24 ALA HB1 H 1 1.19 0.010 . 1 . . . . 24 ALA HB . 16627 1
178 . 1 1 24 24 ALA HB2 H 1 1.19 0.010 . 1 . . . . 24 ALA HB . 16627 1
179 . 1 1 24 24 ALA HB3 H 1 1.19 0.010 . 1 . . . . 24 ALA HB . 16627 1
180 . 1 1 24 24 ALA C C 13 177.84 0.040 . 1 . . . . 24 ALA C . 16627 1
181 . 1 1 24 24 ALA CA C 13 52.63 0.040 . 1 . . . . 24 ALA CA . 16627 1
182 . 1 1 24 24 ALA CB C 13 18.75 0.040 . 1 . . . . 24 ALA CB . 16627 1
183 . 1 1 24 24 ALA N N 15 122.18 0.040 . 1 . . . . 24 ALA N . 16627 1
184 . 1 1 25 25 THR H H 1 7.71 0.010 . 1 . . . . 25 THR H . 16627 1
185 . 1 1 25 25 THR HA H 1 4.07 0.010 . 1 . . . . 25 THR HA . 16627 1
186 . 1 1 25 25 THR HB H 1 4.00 0.010 . 1 . . . . 25 THR HB . 16627 1
187 . 1 1 25 25 THR C C 13 174.13 0.040 . 1 . . . . 25 THR C . 16627 1
188 . 1 1 25 25 THR CA C 13 61.49 0.040 . 1 . . . . 25 THR CA . 16627 1
189 . 1 1 25 25 THR CB C 13 69.55 0.040 . 1 . . . . 25 THR CB . 16627 1
190 . 1 1 25 25 THR N N 15 111.82 0.040 . 1 . . . . 25 THR N . 16627 1
191 . 1 1 26 26 ALA H H 1 7.92 0.010 . 1 . . . . 26 ALA H . 16627 1
192 . 1 1 26 26 ALA HA H 1 4.10 0.010 . 1 . . . . 26 ALA HA . 16627 1
193 . 1 1 26 26 ALA HB1 H 1 1.17 0.010 . 1 . . . . 26 ALA HB . 16627 1
194 . 1 1 26 26 ALA HB2 H 1 1.17 0.010 . 1 . . . . 26 ALA HB . 16627 1
195 . 1 1 26 26 ALA HB3 H 1 1.17 0.010 . 1 . . . . 26 ALA HB . 16627 1
196 . 1 1 26 26 ALA C C 13 173.65 0.040 . 1 . . . . 26 ALA C . 16627 1
197 . 1 1 26 26 ALA CA C 13 52.27 0.040 . 1 . . . . 26 ALA CA . 16627 1
198 . 1 1 26 26 ALA CB C 13 19.07 0.040 . 1 . . . . 26 ALA CB . 16627 1
199 . 1 1 26 26 ALA N N 15 125.51 0.040 . 1 . . . . 26 ALA N . 16627 1
200 . 1 1 27 27 GLU H H 1 8.00 0.010 . 1 . . . . 27 GLU H . 16627 1
201 . 1 1 27 27 GLU HA H 1 4.09 0.010 . 1 . . . . 27 GLU HA . 16627 1
202 . 1 1 27 27 GLU HB2 H 1 1.75 0.010 . 1 . . . . 27 GLU HB2 . 16627 1
203 . 1 1 27 27 GLU HB3 H 1 1.84 0.010 . 1 . . . . 27 GLU HB3 . 16627 1
204 . 1 1 27 27 GLU C C 13 175.64 0.040 . 1 . . . . 27 GLU C . 16627 1
205 . 1 1 27 27 GLU CA C 13 55.60 0.040 . 1 . . . . 27 GLU CA . 16627 1
206 . 1 1 27 27 GLU CB C 13 28.76 0.040 . 1 . . . . 27 GLU CB . 16627 1
207 . 1 1 27 27 GLU N N 15 119.26 0.040 . 1 . . . . 27 GLU N . 16627 1
208 . 1 1 28 28 LYS H H 1 8.11 0.010 . 1 . . . . 28 LYS H . 16627 1
209 . 1 1 28 28 LYS HA H 1 4.05 0.010 . 1 . . . . 28 LYS HA . 16627 1
210 . 1 1 28 28 LYS HB2 H 1 1.46 0.010 . 2 . . . . 28 LYS HB2 . 16627 1
211 . 1 1 28 28 LYS HB3 H 1 1.46 0.010 . 2 . . . . 28 LYS HB3 . 16627 1
212 . 1 1 28 28 LYS C C 13 175.81 0.040 . 1 . . . . 28 LYS C . 16627 1
213 . 1 1 28 28 LYS CA C 13 56.14 0.040 . 1 . . . . 28 LYS CA . 16627 1
214 . 1 1 28 28 LYS CB C 13 32.91 0.040 . 1 . . . . 28 LYS CB . 16627 1
215 . 1 1 28 28 LYS N N 15 122.78 0.040 . 1 . . . . 28 LYS N . 16627 1
216 . 1 1 29 29 VAL H H 1 7.87 0.010 . 1 . . . . 29 VAL H . 16627 1
217 . 1 1 29 29 VAL HA H 1 3.86 0.010 . 1 . . . . 29 VAL HA . 16627 1
218 . 1 1 29 29 VAL HB H 1 1.73 0.010 . 1 . . . . 29 VAL HB . 16627 1
219 . 1 1 29 29 VAL C C 13 175.38 0.040 . 1 . . . . 29 VAL C . 16627 1
220 . 1 1 29 29 VAL CA C 13 61.83 0.040 . 1 . . . . 29 VAL CA . 16627 1
221 . 1 1 29 29 VAL CB C 13 32.80 0.040 . 1 . . . . 29 VAL CB . 16627 1
222 . 1 1 29 29 VAL N N 15 121.04 0.040 . 1 . . . . 29 VAL N . 16627 1
223 . 1 1 30 30 PHE H H 1 8.19 0.010 . 1 . . . . 30 PHE H . 16627 1
224 . 1 1 30 30 PHE HA H 1 4.41 0.010 . 1 . . . . 30 PHE HA . 16627 1
225 . 1 1 30 30 PHE HB2 H 1 2.73 0.010 . 1 . . . . 30 PHE HB2 . 16627 1
226 . 1 1 30 30 PHE HB3 H 1 2.85 0.010 . 1 . . . . 30 PHE HB3 . 16627 1
227 . 1 1 30 30 PHE C C 13 175.16 0.040 . 1 . . . . 30 PHE C . 16627 1
228 . 1 1 30 30 PHE CA C 13 57.21 0.040 . 1 . . . . 30 PHE CA . 16627 1
229 . 1 1 30 30 PHE CB C 13 39.49 0.040 . 1 . . . . 30 PHE CB . 16627 1
230 . 1 1 30 30 PHE N N 15 124.68 0.040 . 1 . . . . 30 PHE N . 16627 1
231 . 1 1 31 31 LYS H H 1 8.09 0.010 . 1 . . . . 31 LYS H . 16627 1
232 . 1 1 31 31 LYS HA H 1 4.00 0.010 . 1 . . . . 31 LYS HA . 16627 1
233 . 1 1 31 31 LYS HB2 H 1 1.40 0.010 . 2 . . . . 31 LYS HB2 . 16627 1
234 . 1 1 31 31 LYS HB3 H 1 1.40 0.010 . 2 . . . . 31 LYS HB3 . 16627 1
235 . 1 1 31 31 LYS C C 13 175.45 0.040 . 1 . . . . 31 LYS C . 16627 1
236 . 1 1 31 31 LYS CA C 13 55.76 0.040 . 1 . . . . 31 LYS CA . 16627 1
237 . 1 1 31 31 LYS CB C 13 33.18 0.040 . 1 . . . . 31 LYS CB . 16627 1
238 . 1 1 31 31 LYS N N 15 123.71 0.040 . 1 . . . . 31 LYS N . 16627 1
239 . 1 1 32 32 GLN H H 1 8.09 0.010 . 1 . . . . 32 GLN H . 16627 1
240 . 1 1 32 32 GLN HA H 1 3.99 0.010 . 1 . . . . 32 GLN HA . 16627 1
241 . 1 1 32 32 GLN HB2 H 1 1.65 0.010 . 1 . . . . 32 GLN HB2 . 16627 1
242 . 1 1 32 32 GLN HB3 H 1 1.72 0.010 . 1 . . . . 32 GLN HB3 . 16627 1
243 . 1 1 32 32 GLN C C 13 175.25 0.040 . 1 . . . . 32 GLN C . 16627 1
244 . 1 1 32 32 GLN CA C 13 55.65 0.040 . 1 . . . . 32 GLN CA . 16627 1
245 . 1 1 32 32 GLN CB C 13 29.48 0.040 . 1 . . . . 32 GLN CB . 16627 1
246 . 1 1 32 32 GLN N N 15 121.56 0.040 . 1 . . . . 32 GLN N . 16627 1
247 . 1 1 33 33 TYR H H 1 8.04 0.010 . 1 . . . . 33 TYR H . 16627 1
248 . 1 1 33 33 TYR HA H 1 4.34 0.010 . 1 . . . . 33 TYR HA . 16627 1
249 . 1 1 33 33 TYR HB2 H 1 2.65 0.010 . 1 . . . . 33 TYR HB2 . 16627 1
250 . 1 1 33 33 TYR HB3 H 1 2.85 0.010 . 1 . . . . 33 TYR HB3 . 16627 1
251 . 1 1 33 33 TYR C C 13 175.22 0.040 . 1 . . . . 33 TYR C . 16627 1
252 . 1 1 33 33 TYR CA C 13 57.44 0.040 . 1 . . . . 33 TYR CA . 16627 1
253 . 1 1 33 33 TYR CB C 13 38.68 0.040 . 1 . . . . 33 TYR CB . 16627 1
254 . 1 1 33 33 TYR N N 15 121.19 0.040 . 1 . . . . 33 TYR N . 16627 1
255 . 1 1 34 34 ALA H H 1 8.05 0.010 . 1 . . . . 34 ALA H . 16627 1
256 . 1 1 34 34 ALA HA H 1 4.07 0.010 . 1 . . . . 34 ALA HA . 16627 1
257 . 1 1 34 34 ALA HB1 H 1 1.11 0.010 . 1 . . . . 34 ALA HB . 16627 1
258 . 1 1 34 34 ALA HB2 H 1 1.11 0.010 . 1 . . . . 34 ALA HB . 16627 1
259 . 1 1 34 34 ALA HB3 H 1 1.11 0.010 . 1 . . . . 34 ALA HB . 16627 1
260 . 1 1 34 34 ALA C C 13 176.79 0.040 . 1 . . . . 34 ALA C . 16627 1
261 . 1 1 34 34 ALA CA C 13 52.18 0.040 . 1 . . . . 34 ALA CA . 16627 1
262 . 1 1 34 34 ALA CB C 13 19.14 0.040 . 1 . . . . 34 ALA CB . 16627 1
263 . 1 1 34 34 ALA N N 15 124.82 0.040 . 1 . . . . 34 ALA N . 16627 1
264 . 1 1 35 35 ASN H H 1 8.11 0.010 . 1 . . . . 35 ASN H . 16627 1
265 . 1 1 35 35 ASN HA H 1 4.45 0.010 . 1 . . . . 35 ASN HA . 16627 1
266 . 1 1 35 35 ASN HB2 H 1 2.53 0.010 . 1 . . . . 35 ASN HB2 . 16627 1
267 . 1 1 35 35 ASN HB3 H 1 2.61 0.010 . 1 . . . . 35 ASN HB3 . 16627 1
268 . 1 1 35 35 ASN C C 13 174.80 0.040 . 1 . . . . 35 ASN C . 16627 1
269 . 1 1 35 35 ASN CA C 13 52.94 0.040 . 1 . . . . 35 ASN CA . 16627 1
270 . 1 1 35 35 ASN CB C 13 38.56 0.040 . 1 . . . . 35 ASN CB . 16627 1
271 . 1 1 35 35 ASN N N 15 117.40 0.040 . 1 . . . . 35 ASN N . 16627 1
272 . 1 1 36 36 ASP H H 1 8.20 0.010 . 1 . . . . 36 ASP H . 16627 1
273 . 1 1 36 36 ASP HA H 1 4.53 0.010 . 1 . . . . 36 ASP HA . 16627 1
274 . 1 1 36 36 ASP HB2 H 1 2.62 0.010 . 1 . . . . 36 ASP HB2 . 16627 1
275 . 1 1 36 36 ASP HB3 H 1 2.71 0.010 . 1 . . . . 36 ASP HB3 . 16627 1
276 . 1 1 36 36 ASP C C 13 174.63 0.040 . 1 . . . . 36 ASP C . 16627 1
277 . 1 1 36 36 ASP CA C 13 52.63 0.040 . 1 . . . . 36 ASP CA . 16627 1
278 . 1 1 36 36 ASP CB C 13 37.74 0.040 . 1 . . . . 36 ASP CB . 16627 1
279 . 1 1 36 36 ASP N N 15 119.11 0.040 . 1 . . . . 36 ASP N . 16627 1
280 . 1 1 37 37 ASN H H 1 8.18 0.010 . 1 . . . . 37 ASN H . 16627 1
281 . 1 1 37 37 ASN HA H 1 4.48 0.010 . 1 . . . . 37 ASN HA . 16627 1
282 . 1 1 37 37 ASN HB2 H 1 2.55 0.010 . 1 . . . . 37 ASN HB2 . 16627 1
283 . 1 1 37 37 ASN HB3 H 1 2.61 0.010 . 1 . . . . 37 ASN HB3 . 16627 1
284 . 1 1 37 37 ASN C C 13 175.33 0.040 . 1 . . . . 37 ASN C . 16627 1
285 . 1 1 37 37 ASN CA C 13 53.20 0.040 . 1 . . . . 37 ASN CA . 16627 1
286 . 1 1 37 37 ASN CB C 13 38.59 0.040 . 1 . . . . 37 ASN CB . 16627 1
287 . 1 1 37 37 ASN N N 15 118.65 0.040 . 1 . . . . 37 ASN N . 16627 1
288 . 1 1 38 38 GLY H H 1 8.03 0.010 . 1 . . . . 38 GLY H . 16627 1
289 . 1 1 38 38 GLY HA2 H 1 3.70 0.010 . 2 . . . . 38 GLY HA2 . 16627 1
290 . 1 1 38 38 GLY HA3 H 1 3.70 0.010 . 2 . . . . 38 GLY HA3 . 16627 1
291 . 1 1 38 38 GLY C C 13 173.89 0.040 . 1 . . . . 38 GLY C . 16627 1
292 . 1 1 38 38 GLY CA C 13 45.17 0.040 . 1 . . . . 38 GLY CA . 16627 1
293 . 1 1 38 38 GLY N N 15 108.51 0.040 . 1 . . . . 38 GLY N . 16627 1
294 . 1 1 39 39 VAL H H 1 7.67 0.010 . 1 . . . . 39 VAL H . 16627 1
295 . 1 1 39 39 VAL HA H 1 3.87 0.010 . 1 . . . . 39 VAL HA . 16627 1
296 . 1 1 39 39 VAL HB H 1 1.84 0.010 . 1 . . . . 39 VAL HB . 16627 1
297 . 1 1 39 39 VAL C C 13 175.85 0.040 . 1 . . . . 39 VAL C . 16627 1
298 . 1 1 39 39 VAL CA C 13 62.27 0.040 . 1 . . . . 39 VAL CA . 16627 1
299 . 1 1 39 39 VAL CB C 13 32.37 0.040 . 1 . . . . 39 VAL CB . 16627 1
300 . 1 1 39 39 VAL N N 15 118.47 0.040 . 1 . . . . 39 VAL N . 16627 1
301 . 1 1 40 40 ASP H H 1 8.32 0.010 . 1 . . . . 40 ASP H . 16627 1
302 . 1 1 40 40 ASP HA H 1 4.50 0.010 . 1 . . . . 40 ASP HA . 16627 1
303 . 1 1 40 40 ASP HB2 H 1 2.61 0.010 . 1 . . . . 40 ASP HB2 . 16627 1
304 . 1 1 40 40 ASP HB3 H 1 2.74 0.010 . 1 . . . . 40 ASP HB3 . 16627 1
305 . 1 1 40 40 ASP C C 13 175.10 0.040 . 1 . . . . 40 ASP C . 16627 1
306 . 1 1 40 40 ASP CA C 13 52.79 0.040 . 1 . . . . 40 ASP CA . 16627 1
307 . 1 1 40 40 ASP CB C 13 37.94 0.040 . 1 . . . . 40 ASP CB . 16627 1
308 . 1 1 40 40 ASP N N 15 121.56 0.040 . 1 . . . . 40 ASP N . 16627 1
309 . 1 1 41 41 GLY H H 1 7.96 0.010 . 1 . . . . 41 GLY H . 16627 1
310 . 1 1 41 41 GLY HA2 H 1 3.65 0.010 . 2 . . . . 41 GLY HA2 . 16627 1
311 . 1 1 41 41 GLY HA3 H 1 3.60 0.010 . 2 . . . . 41 GLY HA3 . 16627 1
312 . 1 1 41 41 GLY C C 13 173.54 0.040 . 1 . . . . 41 GLY C . 16627 1
313 . 1 1 41 41 GLY CA C 13 45.15 0.040 . 1 . . . . 41 GLY CA . 16627 1
314 . 1 1 41 41 GLY N N 15 108.68 0.040 . 1 . . . . 41 GLY N . 16627 1
315 . 1 1 42 42 GLU H H 1 7.80 0.010 . 1 . . . . 42 GLU H . 16627 1
316 . 1 1 42 42 GLU HA H 1 4.07 0.010 . 1 . . . . 42 GLU HA . 16627 1
317 . 1 1 42 42 GLU HB2 H 1 1.65 0.010 . 1 . . . . 42 GLU HB2 . 16627 1
318 . 1 1 42 42 GLU HB3 H 1 1.70 0.010 . 1 . . . . 42 GLU HB3 . 16627 1
319 . 1 1 42 42 GLU C C 13 175.32 0.040 . 1 . . . . 42 GLU C . 16627 1
320 . 1 1 42 42 GLU CA C 13 55.68 0.040 . 1 . . . . 42 GLU CA . 16627 1
321 . 1 1 42 42 GLU CB C 13 28.63 0.040 . 1 . . . . 42 GLU CB . 16627 1
322 . 1 1 42 42 GLU N N 15 119.26 0.040 . 1 . . . . 42 GLU N . 16627 1
323 . 1 1 43 43 TRP H H 1 7.94 0.010 . 1 . . . . 43 TRP H . 16627 1
324 . 1 1 43 43 TRP HA H 1 4.51 0.010 . 1 . . . . 43 TRP HA . 16627 1
325 . 1 1 43 43 TRP HB2 H 1 2.93 0.010 . 1 . . . . 43 TRP HB2 . 16627 1
326 . 1 1 43 43 TRP HB3 H 1 3.01 0.010 . 1 . . . . 43 TRP HB3 . 16627 1
327 . 1 1 43 43 TRP C C 13 175.90 0.040 . 1 . . . . 43 TRP C . 16627 1
328 . 1 1 43 43 TRP CA C 13 56.92 0.040 . 1 . . . . 43 TRP CA . 16627 1
329 . 1 1 43 43 TRP CB C 13 29.61 0.040 . 1 . . . . 43 TRP CB . 16627 1
330 . 1 1 43 43 TRP N N 15 121.53 0.040 . 1 . . . . 43 TRP N . 16627 1
331 . 1 1 44 44 THR H H 1 7.74 0.010 . 1 . . . . 44 THR H . 16627 1
332 . 1 1 44 44 THR HA H 1 4.05 0.010 . 1 . . . . 44 THR HA . 16627 1
333 . 1 1 44 44 THR HB H 1 3.84 0.010 . 1 . . . . 44 THR HB . 16627 1
334 . 1 1 44 44 THR C C 13 173.65 0.040 . 1 . . . . 44 THR C . 16627 1
335 . 1 1 44 44 THR CA C 13 61.41 0.040 . 1 . . . . 44 THR CA . 16627 1
336 . 1 1 44 44 THR CB C 13 69.86 0.040 . 1 . . . . 44 THR CB . 16627 1
337 . 1 1 44 44 THR N N 15 115.31 0.040 . 1 . . . . 44 THR N . 16627 1
338 . 1 1 45 45 TYR H H 1 7.85 0.010 . 1 . . . . 45 TYR H . 16627 1
339 . 1 1 45 45 TYR HA H 1 4.23 0.010 . 1 . . . . 45 TYR HA . 16627 1
340 . 1 1 45 45 TYR HB2 H 1 2.64 0.010 . 1 . . . . 45 TYR HB2 . 16627 1
341 . 1 1 45 45 TYR HB3 H 1 2.76 0.010 . 1 . . . . 45 TYR HB3 . 16627 1
342 . 1 1 45 45 TYR C C 13 175.20 0.040 . 1 . . . . 45 TYR C . 16627 1
343 . 1 1 45 45 TYR CA C 13 57.87 0.040 . 1 . . . . 45 TYR CA . 16627 1
344 . 1 1 45 45 TYR CB C 13 38.53 0.040 . 1 . . . . 45 TYR CB . 16627 1
345 . 1 1 45 45 TYR N N 15 121.94 0.040 . 1 . . . . 45 TYR N . 16627 1
346 . 1 1 46 46 ASP H H 1 8.14 0.010 . 1 . . . . 46 ASP H . 16627 1
347 . 1 1 46 46 ASP HA H 1 4.44 0.010 . 1 . . . . 46 ASP HA . 16627 1
348 . 1 1 46 46 ASP HB2 H 1 2.54 0.010 . 1 . . . . 46 ASP HB2 . 16627 1
349 . 1 1 46 46 ASP HB3 H 1 2.70 0.010 . 1 . . . . 46 ASP HB3 . 16627 1
350 . 1 1 46 46 ASP C C 13 174.41 0.040 . 1 . . . . 46 ASP C . 16627 1
351 . 1 1 46 46 ASP CA C 13 52.58 0.040 . 1 . . . . 46 ASP CA . 16627 1
352 . 1 1 46 46 ASP CB C 13 37.83 0.040 . 1 . . . . 46 ASP CB . 16627 1
353 . 1 1 46 46 ASP N N 15 120.35 0.040 . 1 . . . . 46 ASP N . 16627 1
354 . 1 1 47 47 ASP H H 1 8.10 0.010 . 1 . . . . 47 ASP H . 16627 1
355 . 1 1 47 47 ASP HA H 1 4.42 0.010 . 1 . . . . 47 ASP HA . 16627 1
356 . 1 1 47 47 ASP HB2 H 1 2.59 0.010 . 1 . . . . 47 ASP HB2 . 16627 1
357 . 1 1 47 47 ASP HB3 H 1 2.67 0.010 . 1 . . . . 47 ASP HB3 . 16627 1
358 . 1 1 47 47 ASP C C 13 174.52 0.040 . 1 . . . . 47 ASP C . 16627 1
359 . 1 1 47 47 ASP CA C 13 52.78 0.040 . 1 . . . . 47 ASP CA . 16627 1
360 . 1 1 47 47 ASP CB C 13 37.73 0.040 . 1 . . . . 47 ASP CB . 16627 1
361 . 1 1 47 47 ASP N N 15 119.78 0.040 . 1 . . . . 47 ASP N . 16627 1
362 . 1 1 48 48 ALA H H 1 7.87 0.010 . 1 . . . . 48 ALA H . 16627 1
363 . 1 1 48 48 ALA HA H 1 4.12 0.010 . 1 . . . . 48 ALA HA . 16627 1
364 . 1 1 48 48 ALA HB1 H 1 1.18 0.010 . 1 . . . . 48 ALA HB . 16627 1
365 . 1 1 48 48 ALA HB2 H 1 1.18 0.010 . 1 . . . . 48 ALA HB . 16627 1
366 . 1 1 48 48 ALA HB3 H 1 1.18 0.010 . 1 . . . . 48 ALA HB . 16627 1
367 . 1 1 48 48 ALA C C 13 177.53 0.040 . 1 . . . . 48 ALA C . 16627 1
368 . 1 1 48 48 ALA CA C 13 52.64 0.040 . 1 . . . . 48 ALA CA . 16627 1
369 . 1 1 48 48 ALA CB C 13 19.05 0.040 . 1 . . . . 48 ALA CB . 16627 1
370 . 1 1 48 48 ALA N N 15 123.40 0.040 . 1 . . . . 48 ALA N . 16627 1
371 . 1 1 49 49 THR H H 1 7.73 0.010 . 1 . . . . 49 THR H . 16627 1
372 . 1 1 49 49 THR HA H 1 4.07 0.010 . 1 . . . . 49 THR HA . 16627 1
373 . 1 1 49 49 THR HB H 1 3.98 0.010 . 1 . . . . 49 THR HB . 16627 1
374 . 1 1 49 49 THR C C 13 174.23 0.040 . 1 . . . . 49 THR C . 16627 1
375 . 1 1 49 49 THR CA C 13 61.57 0.040 . 1 . . . . 49 THR CA . 16627 1
376 . 1 1 49 49 THR CB C 13 69.48 0.040 . 1 . . . . 49 THR CB . 16627 1
377 . 1 1 49 49 THR N N 15 112.36 0.040 . 1 . . . . 49 THR N . 16627 1
378 . 1 1 50 50 LYS H H 1 8.04 0.010 . 1 . . . . 50 LYS H . 16627 1
379 . 1 1 50 50 LYS HA H 1 4.10 0.010 . 1 . . . . 50 LYS HA . 16627 1
380 . 1 1 50 50 LYS HB2 H 1 1.49 0.010 . 2 . . . . 50 LYS HB2 . 16627 1
381 . 1 1 50 50 LYS HB3 H 1 1.49 0.010 . 2 . . . . 50 LYS HB3 . 16627 1
382 . 1 1 50 50 LYS C C 13 176.01 0.040 . 1 . . . . 50 LYS C . 16627 1
383 . 1 1 50 50 LYS CA C 13 56.13 0.040 . 1 . . . . 50 LYS CA . 16627 1
384 . 1 1 50 50 LYS CB C 13 32.82 0.040 . 1 . . . . 50 LYS CB . 16627 1
385 . 1 1 50 50 LYS N N 15 123.29 0.040 . 1 . . . . 50 LYS N . 16627 1
386 . 1 1 51 51 THR H H 1 7.86 0.010 . 1 . . . . 51 THR H . 16627 1
387 . 1 1 51 51 THR HA H 1 4.11 0.010 . 1 . . . . 51 THR HA . 16627 1
388 . 1 1 51 51 THR HB H 1 3.89 0.010 . 1 . . . . 51 THR HB . 16627 1
389 . 1 1 51 51 THR C C 13 173.66 0.040 . 1 . . . . 51 THR C . 16627 1
390 . 1 1 51 51 THR CA C 13 61.34 0.040 . 1 . . . . 51 THR CA . 16627 1
391 . 1 1 51 51 THR CB C 13 69.86 0.040 . 1 . . . . 51 THR CB . 16627 1
392 . 1 1 51 51 THR N N 15 114.83 0.040 . 1 . . . . 51 THR N . 16627 1
393 . 1 1 52 52 PHE H H 1 8.13 0.010 . 1 . . . . 52 PHE H . 16627 1
394 . 1 1 52 52 PHE HA H 1 4.52 0.010 . 1 . . . . 52 PHE HA . 16627 1
395 . 1 1 52 52 PHE HB2 H 1 2.76 0.010 . 1 . . . . 52 PHE HB2 . 16627 1
396 . 1 1 52 52 PHE HB3 H 1 2.90 0.010 . 1 . . . . 52 PHE HB3 . 16627 1
397 . 1 1 52 52 PHE C C 13 175.26 0.040 . 1 . . . . 52 PHE C . 16627 1
398 . 1 1 52 52 PHE CA C 13 57.40 0.040 . 1 . . . . 52 PHE CA . 16627 1
399 . 1 1 52 52 PHE CB C 13 39.79 0.040 . 1 . . . . 52 PHE CB . 16627 1
400 . 1 1 52 52 PHE N N 15 122.30 0.040 . 1 . . . . 52 PHE N . 16627 1
401 . 1 1 53 53 THR H H 1 8.01 0.010 . 1 . . . . 53 THR H . 16627 1
402 . 1 1 53 53 THR HA H 1 4.16 0.010 . 1 . . . . 53 THR HA . 16627 1
403 . 1 1 53 53 THR HB H 1 3.89 0.010 . 1 . . . . 53 THR HB . 16627 1
404 . 1 1 53 53 THR C C 13 173.74 0.040 . 1 . . . . 53 THR C . 16627 1
405 . 1 1 53 53 THR CA C 13 61.41 0.040 . 1 . . . . 53 THR CA . 16627 1
406 . 1 1 53 53 THR CB C 13 69.88 0.040 . 1 . . . . 53 THR CB . 16627 1
407 . 1 1 53 53 THR N N 15 116.67 0.040 . 1 . . . . 53 THR N . 16627 1
408 . 1 1 54 54 VAL H H 1 8.03 0.010 . 1 . . . . 54 VAL H . 16627 1
409 . 1 1 54 54 VAL HA H 1 3.97 0.010 . 1 . . . . 54 VAL HA . 16627 1
410 . 1 1 54 54 VAL HB H 1 1.83 0.010 . 1 . . . . 54 VAL HB . 16627 1
411 . 1 1 54 54 VAL C C 13 175.78 0.040 . 1 . . . . 54 VAL C . 16627 1
412 . 1 1 54 54 VAL CA C 13 61.91 0.040 . 1 . . . . 54 VAL CA . 16627 1
413 . 1 1 54 54 VAL CB C 13 32.76 0.040 . 1 . . . . 54 VAL CB . 16627 1
414 . 1 1 54 54 VAL N N 15 122.54 0.040 . 1 . . . . 54 VAL N . 16627 1
415 . 1 1 55 55 THR H H 1 8.05 0.010 . 1 . . . . 55 THR H . 16627 1
416 . 1 1 55 55 THR HA H 1 4.13 0.010 . 1 . . . . 55 THR HA . 16627 1
417 . 1 1 55 55 THR HB H 1 3.95 0.010 . 1 . . . . 55 THR HB . 16627 1
418 . 1 1 55 55 THR C C 13 174.07 0.040 . 1 . . . . 55 THR C . 16627 1
419 . 1 1 55 55 THR CA C 13 61.53 0.040 . 1 . . . . 55 THR CA . 16627 1
420 . 1 1 55 55 THR CB C 13 69.74 0.040 . 1 . . . . 55 THR CB . 16627 1
421 . 1 1 55 55 THR N N 15 118.26 0.040 . 1 . . . . 55 THR N . 16627 1
422 . 1 1 56 56 GLU H H 1 8.18 0.010 . 1 . . . . 56 GLU H . 16627 1
423 . 1 1 56 56 GLU HA H 1 4.21 0.010 . 1 . . . . 56 GLU HA . 16627 1
424 . 1 1 56 56 GLU HB2 H 1 1.753 0.010 . 1 . . . . 56 GLU HB2 . 16627 1
425 . 1 1 56 56 GLU HB3 H 1 1.963 0.010 . 1 . . . . 56 GLU HB3 . 16627 1
426 . 1 1 56 56 GLU N N 15 123.08 0.040 . 1 . . . . 56 GLU N . 16627 1
stop_
save_