Content for NMR-STAR saveframe, "assigned_chem_shift_list"
save_assigned_chem_shift_list
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list
_Assigned_chem_shift_list.Entry_ID 18005
_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_new_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 'Origin xeasy file /home/kostas/structures/PDBeSMNsDMA/SMNsDMA.prot'
_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 '15N-EDITED 3D NOESY F1 15N/13C FILTERED' . . . 18005 1
2 '15N-EDITED 3D NOESY' . . . 18005 1
3 '13C-EDITED 3D NOESY (ALIPHATICSS) F1 15N/13C FILTERED' . . . 18005 1
4 '13C-EDITED 3D NOESY (ALIPHATICS)' . . . 18005 1
5 '13C-EDITED 3D NOESY (AROMATICS) F1 15N/13C FILTERED' . . . 18005 1
6 '13C-EDITED 3D NOESY (AROMATICS)' . . . 18005 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 ASN CA C 13 53.187 0.200 . 1 . 1 . . 84 ASN CA . 18005 1
2 . 1 1 1 1 ASN HA H 1 4.754 0.020 . 1 . 2 . . 84 ASN HA . 18005 1
3 . 1 1 1 1 ASN CB C 13 38.832 0.057 . 1 . 3 . . 84 ASN CB . 18005 1
4 . 1 1 1 1 ASN HB2 H 1 2.774 0.020 . 2 . 4 . . 84 ASN HB2 . 18005 1
5 . 1 1 1 1 ASN HB3 H 1 2.852 0.020 . 2 . 5 . . 84 ASN HB3 . 18005 1
6 . 1 1 1 1 ASN ND2 N 15 112.719 0.030 . 1 . 6 . . 84 ASN ND2 . 18005 1
7 . 1 1 1 1 ASN HD21 H 1 7.623 0.020 . 1 . 7 . . 84 ASN HD21 . 18005 1
8 . 1 1 1 1 ASN HD22 H 1 6.918 0.004 . 1 . 8 . . 84 ASN HD22 . 18005 1
9 . 1 1 2 2 THR N N 15 114.639 0.200 . 1 . 9 . . 85 THR N . 18005 1
10 . 1 1 2 2 THR H H 1 8.146 0.020 . 1 . 10 . . 85 THR H . 18005 1
11 . 1 1 2 2 THR CA C 13 62.050 0.131 . 1 . 11 . . 85 THR CA . 18005 1
12 . 1 1 2 2 THR HA H 1 4.290 0.001 . 1 . 12 . . 85 THR HA . 18005 1
13 . 1 1 2 2 THR CB C 13 69.863 0.200 . 1 . 13 . . 85 THR CB . 18005 1
14 . 1 1 2 2 THR HB H 1 4.273 0.020 . 1 . 14 . . 85 THR HB . 18005 1
15 . 1 1 2 2 THR HG21 H 1 1.196 0.001 . 1 . 15 . . 85 THR HG21 . 18005 1
16 . 1 1 2 2 THR HG22 H 1 1.196 0.001 . 1 . 15 . . 85 THR HG22 . 18005 1
17 . 1 1 2 2 THR HG23 H 1 1.196 0.001 . 1 . 15 . . 85 THR HG23 . 18005 1
18 . 1 1 2 2 THR CG2 C 13 21.732 0.200 . 1 . 16 . . 85 THR CG2 . 18005 1
19 . 1 1 3 3 ALA N N 15 126.136 0.010 . 1 . 17 . . 86 ALA N . 18005 1
20 . 1 1 3 3 ALA H H 1 8.303 0.020 . 1 . 18 . . 86 ALA H . 18005 1
21 . 1 1 3 3 ALA HA H 1 4.287 0.020 . 1 . 19 . . 86 ALA HA . 18005 1
22 . 1 1 3 3 ALA HB1 H 1 1.388 0.020 . 1 . 20 . . 86 ALA HB1 . 18005 1
23 . 1 1 3 3 ALA HB2 H 1 1.388 0.020 . 1 . 20 . . 86 ALA HB2 . 18005 1
24 . 1 1 3 3 ALA HB3 H 1 1.388 0.020 . 1 . 20 . . 86 ALA HB3 . 18005 1
25 . 1 1 3 3 ALA CB C 13 19.248 0.200 . 1 . 21 . . 86 ALA CB . 18005 1
26 . 1 1 4 4 ALA N N 15 122.852 0.073 . 1 . 22 . . 87 ALA N . 18005 1
27 . 1 1 4 4 ALA H H 1 8.180 0.001 . 1 . 23 . . 87 ALA H . 18005 1
28 . 1 1 4 4 ALA CA C 13 52.874 0.006 . 1 . 24 . . 87 ALA CA . 18005 1
29 . 1 1 4 4 ALA HA H 1 4.267 0.001 . 1 . 25 . . 87 ALA HA . 18005 1
30 . 1 1 4 4 ALA HB1 H 1 1.384 0.020 . 1 . 26 . . 87 ALA HB1 . 18005 1
31 . 1 1 4 4 ALA HB2 H 1 1.384 0.020 . 1 . 26 . . 87 ALA HB2 . 18005 1
32 . 1 1 4 4 ALA HB3 H 1 1.384 0.020 . 1 . 26 . . 87 ALA HB3 . 18005 1
33 . 1 1 4 4 ALA CB C 13 19.173 0.200 . 1 . 27 . . 87 ALA CB . 18005 1
34 . 1 1 5 5 SER N N 15 114.476 0.022 . 1 . 28 . . 88 SER N . 18005 1
35 . 1 1 5 5 SER H H 1 8.155 0.008 . 1 . 29 . . 88 SER H . 18005 1
36 . 1 1 5 5 SER CA C 13 58.606 0.035 . 1 . 30 . . 88 SER CA . 18005 1
37 . 1 1 5 5 SER HA H 1 4.370 0.020 . 1 . 31 . . 88 SER HA . 18005 1
38 . 1 1 5 5 SER CB C 13 63.756 0.038 . 1 . 32 . . 88 SER CB . 18005 1
39 . 1 1 5 5 SER HB2 H 1 3.851 0.020 . 1 . 33 . . 88 SER HB2 . 18005 1
40 . 1 1 5 5 SER HB3 H 1 3.851 0.020 . 1 . 622 . . 88 SER HB3 . 18005 1
41 . 1 1 6 6 LEU N N 15 123.613 0.016 . 1 . 34 . . 89 LEU N . 18005 1
42 . 1 1 6 6 LEU H H 1 8.171 0.004 . 1 . 35 . . 89 LEU H . 18005 1
43 . 1 1 6 6 LEU CA C 13 55.602 0.200 . 1 . 36 . . 89 LEU CA . 18005 1
44 . 1 1 6 6 LEU HA H 1 4.293 0.008 . 1 . 37 . . 89 LEU HA . 18005 1
45 . 1 1 6 6 LEU CB C 13 42.307 0.028 . 1 . 38 . . 89 LEU CB . 18005 1
46 . 1 1 6 6 LEU HB2 H 1 1.573 0.001 . 2 . 39 . . 89 LEU HB2 . 18005 1
47 . 1 1 6 6 LEU HB3 H 1 1.647 0.020 . 2 . 40 . . 89 LEU HB3 . 18005 1
48 . 1 1 6 6 LEU CG C 13 26.939 0.200 . 1 . 41 . . 89 LEU CG . 18005 1
49 . 1 1 6 6 LEU HG H 1 1.637 0.020 . 1 . 42 . . 89 LEU HG . 18005 1
50 . 1 1 6 6 LEU HD11 H 1 0.905 0.001 . 2 . 43 . . 89 LEU HD11 . 18005 1
51 . 1 1 6 6 LEU HD12 H 1 0.905 0.001 . 2 . 43 . . 89 LEU HD12 . 18005 1
52 . 1 1 6 6 LEU HD13 H 1 0.905 0.001 . 2 . 43 . . 89 LEU HD13 . 18005 1
53 . 1 1 6 6 LEU HD21 H 1 0.863 0.020 . 2 . 44 . . 89 LEU HD21 . 18005 1
54 . 1 1 6 6 LEU HD22 H 1 0.863 0.020 . 2 . 44 . . 89 LEU HD22 . 18005 1
55 . 1 1 6 6 LEU HD23 H 1 0.863 0.020 . 2 . 44 . . 89 LEU HD23 . 18005 1
56 . 1 1 6 6 LEU CD1 C 13 24.986 0.200 . 2 . 45 . . 89 LEU CD1 . 18005 1
57 . 1 1 6 6 LEU CD2 C 13 23.590 0.041 . 2 . 46 . . 89 LEU CD2 . 18005 1
58 . 1 1 7 7 GLN N N 15 119.285 0.090 . 1 . 47 . . 90 GLN N . 18005 1
59 . 1 1 7 7 GLN H H 1 7.985 0.006 . 1 . 48 . . 90 GLN H . 18005 1
60 . 1 1 7 7 GLN CA C 13 55.536 0.014 . 1 . 49 . . 90 GLN CA . 18005 1
61 . 1 1 7 7 GLN HA H 1 4.135 0.002 . 1 . 50 . . 90 GLN HA . 18005 1
62 . 1 1 7 7 GLN CB C 13 29.027 0.041 . 1 . 51 . . 90 GLN CB . 18005 1
63 . 1 1 7 7 GLN HB2 H 1 1.707 0.006 . 1 . 52 . . 90 GLN HB2 . 18005 1
64 . 1 1 7 7 GLN CG C 13 33.389 0.074 . 1 . 53 . . 90 GLN CG . 18005 1
65 . 1 1 7 7 GLN HG2 H 1 1.959 0.015 . 1 . 54 . . 90 GLN HG2 . 18005 1
66 . 1 1 7 7 GLN NE2 N 15 111.835 0.030 . 1 . 55 . . 90 GLN NE2 . 18005 1
67 . 1 1 7 7 GLN HE21 H 1 7.124 0.020 . 1 . 56 . . 90 GLN HE21 . 18005 1
68 . 1 1 7 7 GLN HE22 H 1 6.624 0.020 . 1 . 57 . . 90 GLN HE22 . 18005 1
69 . 1 1 7 7 GLN HB3 H 1 1.707 0.006 . 1 . 623 . . 90 GLN HB3 . 18005 1
70 . 1 1 7 7 GLN HG3 H 1 1.959 0.015 . 1 . 624 . . 90 GLN HG3 . 18005 1
71 . 1 1 8 8 GLN N N 15 121.666 0.043 . 1 . 58 . . 91 GLN N . 18005 1
72 . 1 1 8 8 GLN H H 1 8.122 0.010 . 1 . 59 . . 91 GLN H . 18005 1
73 . 1 1 8 8 GLN CA C 13 55.504 0.058 . 1 . 60 . . 91 GLN CA . 18005 1
74 . 1 1 8 8 GLN HA H 1 4.238 0.003 . 1 . 61 . . 91 GLN HA . 18005 1
75 . 1 1 8 8 GLN CB C 13 29.152 0.050 . 1 . 62 . . 91 GLN CB . 18005 1
76 . 1 1 8 8 GLN HB2 H 1 1.808 0.004 . 2 . 63 . . 91 GLN HB2 . 18005 1
77 . 1 1 8 8 GLN HB3 H 1 1.883 0.013 . 2 . 64 . . 91 GLN HB3 . 18005 1
78 . 1 1 8 8 GLN CG C 13 33.511 0.130 . 1 . 65 . . 91 GLN CG . 18005 1
79 . 1 1 8 8 GLN HG2 H 1 2.084 0.006 . 1 . 66 . . 91 GLN HG2 . 18005 1
80 . 1 1 8 8 GLN NE2 N 15 112.260 0.042 . 1 . 67 . . 91 GLN NE2 . 18005 1
81 . 1 1 8 8 GLN HE21 H 1 7.290 0.020 . 1 . 68 . . 91 GLN HE21 . 18005 1
82 . 1 1 8 8 GLN HE22 H 1 6.742 0.020 . 1 . 69 . . 91 GLN HE22 . 18005 1
83 . 1 1 8 8 GLN HG3 H 1 2.084 0.006 . 1 . 625 . . 91 GLN HG3 . 18005 1
84 . 1 1 9 9 TRP N N 15 122.555 0.039 . 1 . 70 . . 92 TRP N . 18005 1
85 . 1 1 9 9 TRP H H 1 7.742 0.006 . 1 . 71 . . 92 TRP H . 18005 1
86 . 1 1 9 9 TRP CA C 13 56.803 0.200 . 1 . 72 . . 92 TRP CA . 18005 1
87 . 1 1 9 9 TRP HA H 1 4.793 0.004 . 1 . 73 . . 92 TRP HA . 18005 1
88 . 1 1 9 9 TRP CB C 13 32.276 0.038 . 1 . 74 . . 92 TRP CB . 18005 1
89 . 1 1 9 9 TRP HB2 H 1 2.813 0.020 . 2 . 75 . . 92 TRP HB2 . 18005 1
90 . 1 1 9 9 TRP HB3 H 1 3.029 0.020 . 2 . 76 . . 92 TRP HB3 . 18005 1
91 . 1 1 9 9 TRP CD1 C 13 127.586 0.054 . 1 . 77 . . 92 TRP CD1 . 18005 1
92 . 1 1 9 9 TRP CE3 C 13 121.614 0.103 . 1 . 78 . . 92 TRP CE3 . 18005 1
93 . 1 1 9 9 TRP NE1 N 15 128.364 0.077 . 1 . 79 . . 92 TRP NE1 . 18005 1
94 . 1 1 9 9 TRP HD1 H 1 7.213 0.002 . 1 . 80 . . 92 TRP HD1 . 18005 1
95 . 1 1 9 9 TRP HE3 H 1 7.939 0.020 . 1 . 81 . . 92 TRP HE3 . 18005 1
96 . 1 1 9 9 TRP CZ3 C 13 121.512 0.021 . 1 . 82 . . 92 TRP CZ3 . 18005 1
97 . 1 1 9 9 TRP CZ2 C 13 114.604 0.200 . 1 . 83 . . 92 TRP CZ2 . 18005 1
98 . 1 1 9 9 TRP HE1 H 1 10.091 0.012 . 1 . 84 . . 92 TRP HE1 . 18005 1
99 . 1 1 9 9 TRP HZ3 H 1 7.279 0.005 . 1 . 85 . . 92 TRP HZ3 . 18005 1
100 . 1 1 9 9 TRP CH2 C 13 124.303 0.112 . 1 . 86 . . 92 TRP CH2 . 18005 1
101 . 1 1 9 9 TRP HZ2 H 1 7.067 0.020 . 1 . 87 . . 92 TRP HZ2 . 18005 1
102 . 1 1 9 9 TRP HH2 H 1 7.070 0.005 . 1 . 88 . . 92 TRP HH2 . 18005 1
103 . 1 1 10 10 LYS N N 15 120.160 0.067 . 1 . 89 . . 93 LYS N . 18005 1
104 . 1 1 10 10 LYS H H 1 8.947 0.012 . 1 . 90 . . 93 LYS H . 18005 1
105 . 1 1 10 10 LYS CA C 13 54.317 0.169 . 1 . 91 . . 93 LYS CA . 18005 1
106 . 1 1 10 10 LYS HA H 1 4.686 0.020 . 1 . 92 . . 93 LYS HA . 18005 1
107 . 1 1 10 10 LYS CB C 13 35.727 0.032 . 1 . 93 . . 93 LYS CB . 18005 1
108 . 1 1 10 10 LYS HB2 H 1 1.767 0.003 . 2 . 94 . . 93 LYS HB2 . 18005 1
109 . 1 1 10 10 LYS HB3 H 1 1.831 0.006 . 2 . 95 . . 93 LYS HB3 . 18005 1
110 . 1 1 10 10 LYS CG C 13 23.531 0.108 . 1 . 96 . . 93 LYS CG . 18005 1
111 . 1 1 10 10 LYS HG2 H 1 1.362 0.011 . 2 . 97 . . 93 LYS HG2 . 18005 1
112 . 1 1 10 10 LYS HG3 H 1 1.607 0.021 . 2 . 98 . . 93 LYS HG3 . 18005 1
113 . 1 1 10 10 LYS CD C 13 28.959 0.059 . 1 . 99 . . 93 LYS CD . 18005 1
114 . 1 1 10 10 LYS HD2 H 1 1.720 0.006 . 1 . 100 . . 93 LYS HD2 . 18005 1
115 . 1 1 10 10 LYS CE C 13 41.843 0.027 . 1 . 101 . . 93 LYS CE . 18005 1
116 . 1 1 10 10 LYS HE2 H 1 3.064 0.019 . 1 . 102 . . 93 LYS HE2 . 18005 1
117 . 1 1 10 10 LYS HD3 H 1 1.720 0.006 . 1 . 626 . . 93 LYS HD3 . 18005 1
118 . 1 1 10 10 LYS HE3 H 1 3.064 0.019 . 1 . 627 . . 93 LYS HE3 . 18005 1
119 . 1 1 11 11 VAL N N 15 120.748 0.024 . 1 . 103 . . 94 VAL N . 18005 1
120 . 1 1 11 11 VAL H H 1 8.482 0.003 . 1 . 104 . . 94 VAL H . 18005 1
121 . 1 1 11 11 VAL CA C 13 66.168 0.060 . 1 . 105 . . 94 VAL CA . 18005 1
122 . 1 1 11 11 VAL HA H 1 3.168 0.009 . 1 . 106 . . 94 VAL HA . 18005 1
123 . 1 1 11 11 VAL CB C 13 31.288 0.047 . 1 . 107 . . 94 VAL CB . 18005 1
124 . 1 1 11 11 VAL HB H 1 1.898 0.007 . 1 . 108 . . 94 VAL HB . 18005 1
125 . 1 1 11 11 VAL HG11 H 1 0.879 0.001 . 2 . 109 . . 94 VAL HG11 . 18005 1
126 . 1 1 11 11 VAL HG12 H 1 0.879 0.001 . 2 . 109 . . 94 VAL HG12 . 18005 1
127 . 1 1 11 11 VAL HG13 H 1 0.879 0.001 . 2 . 109 . . 94 VAL HG13 . 18005 1
128 . 1 1 11 11 VAL HG21 H 1 0.974 0.020 . 2 . 110 . . 94 VAL HG21 . 18005 1
129 . 1 1 11 11 VAL HG22 H 1 0.974 0.020 . 2 . 110 . . 94 VAL HG22 . 18005 1
130 . 1 1 11 11 VAL HG23 H 1 0.974 0.020 . 2 . 110 . . 94 VAL HG23 . 18005 1
131 . 1 1 11 11 VAL CG1 C 13 21.477 0.020 . 2 . 111 . . 94 VAL CG1 . 18005 1
132 . 1 1 11 11 VAL CG2 C 13 23.550 0.007 . 2 . 112 . . 94 VAL CG2 . 18005 1
133 . 1 1 12 12 GLY N N 15 116.606 0.005 . 1 . 113 . . 95 GLY N . 18005 1
134 . 1 1 12 12 GLY H H 1 8.984 0.002 . 1 . 114 . . 95 GLY H . 18005 1
135 . 1 1 12 12 GLY CA C 13 44.504 0.009 . 1 . 115 . . 95 GLY CA . 18005 1
136 . 1 1 12 12 GLY HA2 H 1 3.559 0.020 . 2 . 116 . . 95 GLY HA2 . 18005 1
137 . 1 1 12 12 GLY HA3 H 1 4.462 0.020 . 2 . 117 . . 95 GLY HA3 . 18005 1
138 . 1 1 13 13 ASP N N 15 121.102 0.016 . 1 . 118 . . 96 ASP N . 18005 1
139 . 1 1 13 13 ASP H H 1 8.085 0.014 . 1 . 119 . . 96 ASP H . 18005 1
140 . 1 1 13 13 ASP CA C 13 55.636 0.082 . 1 . 120 . . 96 ASP CA . 18005 1
141 . 1 1 13 13 ASP HA H 1 4.671 0.002 . 1 . 121 . . 96 ASP HA . 18005 1
142 . 1 1 13 13 ASP CB C 13 41.707 0.099 . 1 . 122 . . 96 ASP CB . 18005 1
143 . 1 1 13 13 ASP HB2 H 1 2.954 0.039 . 2 . 123 . . 96 ASP HB2 . 18005 1
144 . 1 1 13 13 ASP HB3 H 1 3.228 0.025 . 2 . 124 . . 96 ASP HB3 . 18005 1
145 . 1 1 14 14 LYS N N 15 119.123 0.036 . 1 . 125 . . 97 LYS N . 18005 1
146 . 1 1 14 14 LYS H H 1 8.380 0.011 . 1 . 126 . . 97 LYS H . 18005 1
147 . 1 1 14 14 LYS CA C 13 55.840 0.056 . 1 . 127 . . 97 LYS CA . 18005 1
148 . 1 1 14 14 LYS HA H 1 4.898 0.011 . 1 . 128 . . 97 LYS HA . 18005 1
149 . 1 1 14 14 LYS CB C 13 33.176 0.098 . 1 . 129 . . 97 LYS CB . 18005 1
150 . 1 1 14 14 LYS HB2 H 1 1.819 0.014 . 2 . 130 . . 97 LYS HB2 . 18005 1
151 . 1 1 14 14 LYS HB3 H 1 2.146 0.007 . 2 . 131 . . 97 LYS HB3 . 18005 1
152 . 1 1 14 14 LYS CG C 13 25.539 0.073 . 1 . 132 . . 97 LYS CG . 18005 1
153 . 1 1 14 14 LYS HG2 H 1 1.560 0.016 . 2 . 133 . . 97 LYS HG2 . 18005 1
154 . 1 1 14 14 LYS HG3 H 1 1.747 0.007 . 2 . 134 . . 97 LYS HG3 . 18005 1
155 . 1 1 14 14 LYS CD C 13 29.187 0.092 . 1 . 135 . . 97 LYS CD . 18005 1
156 . 1 1 14 14 LYS HD2 H 1 1.757 0.020 . 1 . 136 . . 97 LYS HD2 . 18005 1
157 . 1 1 14 14 LYS CE C 13 42.189 0.029 . 1 . 137 . . 97 LYS CE . 18005 1
158 . 1 1 14 14 LYS HE2 H 1 3.035 0.017 . 1 . 138 . . 97 LYS HE2 . 18005 1
159 . 1 1 14 14 LYS HD3 H 1 1.757 0.020 . 1 . 628 . . 97 LYS HD3 . 18005 1
160 . 1 1 14 14 LYS HE3 H 1 3.035 0.017 . 1 . 629 . . 97 LYS HE3 . 18005 1
161 . 1 1 15 15 CYS N N 15 115.478 0.025 . 1 . 139 . . 98 CYS N . 18005 1
162 . 1 1 15 15 CYS H H 1 8.919 0.019 . 1 . 140 . . 98 CYS H . 18005 1
163 . 1 1 15 15 CYS CA C 13 55.858 0.027 . 1 . 141 . . 98 CYS CA . 18005 1
164 . 1 1 15 15 CYS HA H 1 5.021 0.020 . 1 . 142 . . 98 CYS HA . 18005 1
165 . 1 1 15 15 CYS CB C 13 32.204 0.010 . 1 . 143 . . 98 CYS CB . 18005 1
166 . 1 1 15 15 CYS HB2 H 1 2.817 0.020 . 1 . 144 . . 98 CYS HB2 . 18005 1
167 . 1 1 15 15 CYS HG H 1 0.677 0.020 . 1 . 145 . . 98 CYS HG . 18005 1
168 . 1 1 15 15 CYS HB3 H 1 2.817 0.020 . 1 . 630 . . 98 CYS HB3 . 18005 1
169 . 1 1 16 16 SER N N 15 116.038 0.006 . 1 . 146 . . 99 SER N . 18005 1
170 . 1 1 16 16 SER H H 1 8.565 0.008 . 1 . 147 . . 99 SER H . 18005 1
171 . 1 1 16 16 SER CA C 13 58.816 0.009 . 1 . 148 . . 99 SER CA . 18005 1
172 . 1 1 16 16 SER HA H 1 5.175 0.020 . 1 . 149 . . 99 SER HA . 18005 1
173 . 1 1 16 16 SER CB C 13 65.210 0.032 . 1 . 150 . . 99 SER CB . 18005 1
174 . 1 1 16 16 SER HB2 H 1 3.536 0.020 . 2 . 151 . . 99 SER HB2 . 18005 1
175 . 1 1 16 16 SER HB3 H 1 3.665 0.020 . 2 . 152 . . 99 SER HB3 . 18005 1
176 . 1 1 17 17 ALA N N 15 123.954 0.023 . 1 . 153 . . 100 ALA N . 18005 1
177 . 1 1 17 17 ALA H H 1 8.976 0.020 . 1 . 154 . . 100 ALA H . 18005 1
178 . 1 1 17 17 ALA CA C 13 50.590 0.002 . 1 . 155 . . 100 ALA CA . 18005 1
179 . 1 1 17 17 ALA HA H 1 4.851 0.020 . 1 . 156 . . 100 ALA HA . 18005 1
180 . 1 1 17 17 ALA HB1 H 1 1.171 0.020 . 1 . 157 . . 100 ALA HB1 . 18005 1
181 . 1 1 17 17 ALA HB2 H 1 1.171 0.020 . 1 . 157 . . 100 ALA HB2 . 18005 1
182 . 1 1 17 17 ALA HB3 H 1 1.171 0.020 . 1 . 157 . . 100 ALA HB3 . 18005 1
183 . 1 1 17 17 ALA CB C 13 22.037 0.003 . 1 . 158 . . 100 ALA CB . 18005 1
184 . 1 1 18 18 ILE N N 15 121.719 0.013 . 1 . 159 . . 101 ILE N . 18005 1
185 . 1 1 18 18 ILE H H 1 8.985 0.007 . 1 . 160 . . 101 ILE H . 18005 1
186 . 1 1 18 18 ILE CA C 13 60.423 0.130 . 1 . 161 . . 101 ILE CA . 18005 1
187 . 1 1 18 18 ILE HA H 1 4.373 0.008 . 1 . 162 . . 101 ILE HA . 18005 1
188 . 1 1 18 18 ILE CB C 13 38.243 0.209 . 1 . 163 . . 101 ILE CB . 18005 1
189 . 1 1 18 18 ILE HB H 1 1.799 0.019 . 1 . 164 . . 101 ILE HB . 18005 1
190 . 1 1 18 18 ILE HG21 H 1 0.614 0.011 . 1 . 165 . . 101 ILE HG21 . 18005 1
191 . 1 1 18 18 ILE HG22 H 1 0.614 0.011 . 1 . 165 . . 101 ILE HG22 . 18005 1
192 . 1 1 18 18 ILE HG23 H 1 0.614 0.011 . 1 . 165 . . 101 ILE HG23 . 18005 1
193 . 1 1 18 18 ILE CG2 C 13 17.368 0.034 . 1 . 166 . . 101 ILE CG2 . 18005 1
194 . 1 1 18 18 ILE CG1 C 13 28.956 0.066 . 1 . 167 . . 101 ILE CG1 . 18005 1
195 . 1 1 18 18 ILE HG12 H 1 0.862 0.017 . 2 . 168 . . 101 ILE HG12 . 18005 1
196 . 1 1 18 18 ILE HG13 H 1 1.518 0.014 . 2 . 169 . . 101 ILE HG13 . 18005 1
197 . 1 1 18 18 ILE HD11 H 1 0.851 0.020 . 1 . 170 . . 101 ILE HD11 . 18005 1
198 . 1 1 18 18 ILE HD12 H 1 0.851 0.020 . 1 . 170 . . 101 ILE HD12 . 18005 1
199 . 1 1 18 18 ILE HD13 H 1 0.851 0.020 . 1 . 170 . . 101 ILE HD13 . 18005 1
200 . 1 1 18 18 ILE CD1 C 13 13.622 0.133 . 1 . 171 . . 101 ILE CD1 . 18005 1
201 . 1 1 19 19 TRP N N 15 132.125 0.009 . 1 . 172 . . 102 TRP N . 18005 1
202 . 1 1 19 19 TRP H H 1 9.101 0.006 . 1 . 173 . . 102 TRP H . 18005 1
203 . 1 1 19 19 TRP CA C 13 54.767 0.077 . 1 . 174 . . 102 TRP CA . 18005 1
204 . 1 1 19 19 TRP HA H 1 5.409 0.006 . 1 . 175 . . 102 TRP HA . 18005 1
205 . 1 1 19 19 TRP CB C 13 29.210 0.133 . 1 . 176 . . 102 TRP CB . 18005 1
206 . 1 1 19 19 TRP HB2 H 1 2.459 0.020 . 2 . 177 . . 102 TRP HB2 . 18005 1
207 . 1 1 19 19 TRP HB3 H 1 3.852 0.005 . 2 . 178 . . 102 TRP HB3 . 18005 1
208 . 1 1 19 19 TRP CD1 C 13 126.100 0.016 . 1 . 179 . . 102 TRP CD1 . 18005 1
209 . 1 1 19 19 TRP CE3 C 13 121.692 0.156 . 1 . 180 . . 102 TRP CE3 . 18005 1
210 . 1 1 19 19 TRP NE1 N 15 127.708 0.024 . 1 . 181 . . 102 TRP NE1 . 18005 1
211 . 1 1 19 19 TRP HD1 H 1 7.765 0.004 . 1 . 182 . . 102 TRP HD1 . 18005 1
212 . 1 1 19 19 TRP HE3 H 1 7.608 0.007 . 1 . 183 . . 102 TRP HE3 . 18005 1
213 . 1 1 19 19 TRP CZ3 C 13 121.530 0.087 . 1 . 184 . . 102 TRP CZ3 . 18005 1
214 . 1 1 19 19 TRP CZ2 C 13 114.432 0.130 . 1 . 185 . . 102 TRP CZ2 . 18005 1
215 . 1 1 19 19 TRP HE1 H 1 9.982 0.020 . 1 . 186 . . 102 TRP HE1 . 18005 1
216 . 1 1 19 19 TRP HZ3 H 1 6.639 0.009 . 1 . 187 . . 102 TRP HZ3 . 18005 1
217 . 1 1 19 19 TRP CH2 C 13 124.980 0.205 . 1 . 188 . . 102 TRP CH2 . 18005 1
218 . 1 1 19 19 TRP HZ2 H 1 7.107 0.005 . 1 . 189 . . 102 TRP HZ2 . 18005 1
219 . 1 1 19 19 TRP HH2 H 1 6.857 0.010 . 1 . 190 . . 102 TRP HH2 . 18005 1
220 . 1 1 20 20 SER N N 15 127.021 0.011 . 1 . 191 . . 103 SER N . 18005 1
221 . 1 1 20 20 SER H H 1 9.318 0.003 . 1 . 192 . . 103 SER H . 18005 1
222 . 1 1 20 20 SER CA C 13 61.512 0.237 . 1 . 193 . . 103 SER CA . 18005 1
223 . 1 1 20 20 SER HA H 1 3.875 0.020 . 1 . 194 . . 103 SER HA . 18005 1
224 . 1 1 20 20 SER CB C 13 62.108 0.086 . 1 . 195 . . 103 SER CB . 18005 1
225 . 1 1 20 20 SER HB2 H 1 3.680 0.003 . 2 . 196 . . 103 SER HB2 . 18005 1
226 . 1 1 20 20 SER HB3 H 1 4.006 0.002 . 2 . 197 . . 103 SER HB3 . 18005 1
227 . 1 1 21 21 GLU N N 15 116.689 0.033 . 1 . 198 . . 104 GLU N . 18005 1
228 . 1 1 21 21 GLU H H 1 4.921 0.001 . 1 . 199 . . 104 GLU H . 18005 1
229 . 1 1 21 21 GLU CA C 13 58.174 0.017 . 1 . 200 . . 104 GLU CA . 18005 1
230 . 1 1 21 21 GLU HA H 1 3.524 0.003 . 1 . 201 . . 104 GLU HA . 18005 1
231 . 1 1 21 21 GLU CB C 13 27.691 0.036 . 1 . 202 . . 104 GLU CB . 18005 1
232 . 1 1 21 21 GLU HB2 H 1 -0.504 0.003 . 2 . 203 . . 104 GLU HB2 . 18005 1
233 . 1 1 21 21 GLU HB3 H 1 0.090 0.003 . 2 . 204 . . 104 GLU HB3 . 18005 1
234 . 1 1 21 21 GLU CG C 13 36.092 0.043 . 1 . 205 . . 104 GLU CG . 18005 1
235 . 1 1 21 21 GLU HG2 H 1 1.484 0.007 . 2 . 206 . . 104 GLU HG2 . 18005 1
236 . 1 1 21 21 GLU HG3 H 1 1.538 0.006 . 2 . 207 . . 104 GLU HG3 . 18005 1
237 . 1 1 22 22 ASP N N 15 112.815 0.026 . 1 . 208 . . 105 ASP N . 18005 1
238 . 1 1 22 22 ASP H H 1 6.400 0.008 . 1 . 209 . . 105 ASP H . 18005 1
239 . 1 1 22 22 ASP CA C 13 52.638 0.118 . 1 . 210 . . 105 ASP CA . 18005 1
240 . 1 1 22 22 ASP HA H 1 4.654 0.008 . 1 . 211 . . 105 ASP HA . 18005 1
241 . 1 1 22 22 ASP CB C 13 42.347 0.090 . 1 . 212 . . 105 ASP CB . 18005 1
242 . 1 1 22 22 ASP HB2 H 1 2.252 0.001 . 2 . 213 . . 105 ASP HB2 . 18005 1
243 . 1 1 22 22 ASP HB3 H 1 3.077 0.001 . 2 . 214 . . 105 ASP HB3 . 18005 1
244 . 1 1 23 23 GLY N N 15 110.222 0.043 . 1 . 215 . . 106 GLY N . 18005 1
245 . 1 1 23 23 GLY H H 1 8.680 0.010 . 1 . 216 . . 106 GLY H . 18005 1
246 . 1 1 23 23 GLY CA C 13 46.615 0.022 . 1 . 217 . . 106 GLY CA . 18005 1
247 . 1 1 23 23 GLY HA2 H 1 3.589 0.020 . 2 . 218 . . 106 GLY HA2 . 18005 1
248 . 1 1 23 23 GLY HA3 H 1 3.977 0.020 . 2 . 219 . . 106 GLY HA3 . 18005 1
249 . 1 1 24 24 CYS N N 15 120.367 0.064 . 1 . 220 . . 107 CYS N . 18005 1
250 . 1 1 24 24 CYS H H 1 8.807 0.020 . 1 . 221 . . 107 CYS H . 18005 1
251 . 1 1 24 24 CYS CA C 13 58.840 0.090 . 1 . 222 . . 107 CYS CA . 18005 1
252 . 1 1 24 24 CYS HA H 1 4.578 0.001 . 1 . 223 . . 107 CYS HA . 18005 1
253 . 1 1 24 24 CYS CB C 13 28.699 0.018 . 1 . 224 . . 107 CYS CB . 18005 1
254 . 1 1 24 24 CYS HB2 H 1 2.609 0.002 . 2 . 225 . . 107 CYS HB2 . 18005 1
255 . 1 1 24 24 CYS HB3 H 1 3.218 0.005 . 2 . 226 . . 107 CYS HB3 . 18005 1
256 . 1 1 25 25 ILE N N 15 120.915 0.142 . 1 . 227 . . 108 ILE N . 18005 1
257 . 1 1 25 25 ILE H H 1 7.973 0.009 . 1 . 228 . . 108 ILE H . 18005 1
258 . 1 1 25 25 ILE CA C 13 61.532 0.089 . 1 . 229 . . 108 ILE CA . 18005 1
259 . 1 1 25 25 ILE HA H 1 4.360 0.006 . 1 . 230 . . 108 ILE HA . 18005 1
260 . 1 1 25 25 ILE CB C 13 39.178 0.037 . 1 . 231 . . 108 ILE CB . 18005 1
261 . 1 1 25 25 ILE HB H 1 1.465 0.005 . 1 . 232 . . 108 ILE HB . 18005 1
262 . 1 1 25 25 ILE HG21 H 1 0.748 0.001 . 1 . 233 . . 108 ILE HG21 . 18005 1
263 . 1 1 25 25 ILE HG22 H 1 0.748 0.001 . 1 . 233 . . 108 ILE HG22 . 18005 1
264 . 1 1 25 25 ILE HG23 H 1 0.748 0.001 . 1 . 233 . . 108 ILE HG23 . 18005 1
265 . 1 1 25 25 ILE CG2 C 13 18.973 0.008 . 1 . 234 . . 108 ILE CG2 . 18005 1
266 . 1 1 25 25 ILE CG1 C 13 29.380 0.118 . 1 . 235 . . 108 ILE CG1 . 18005 1
267 . 1 1 25 25 ILE HG12 H 1 0.760 0.011 . 2 . 236 . . 108 ILE HG12 . 18005 1
268 . 1 1 25 25 ILE HG13 H 1 1.577 0.004 . 2 . 237 . . 108 ILE HG13 . 18005 1
269 . 1 1 25 25 ILE HD11 H 1 0.808 0.003 . 1 . 238 . . 108 ILE HD11 . 18005 1
270 . 1 1 25 25 ILE HD12 H 1 0.808 0.003 . 1 . 238 . . 108 ILE HD12 . 18005 1
271 . 1 1 25 25 ILE HD13 H 1 0.808 0.003 . 1 . 238 . . 108 ILE HD13 . 18005 1
272 . 1 1 25 25 ILE CD1 C 13 13.991 0.080 . 1 . 239 . . 108 ILE CD1 . 18005 1
273 . 1 1 26 26 TYR N N 15 125.528 0.012 . 1 . 240 . . 109 TYR N . 18005 1
274 . 1 1 26 26 TYR H H 1 9.267 0.003 . 1 . 241 . . 109 TYR H . 18005 1
275 . 1 1 26 26 TYR CA C 13 56.046 0.039 . 1 . 242 . . 109 TYR CA . 18005 1
276 . 1 1 26 26 TYR HA H 1 5.088 0.001 . 1 . 243 . . 109 TYR HA . 18005 1
277 . 1 1 26 26 TYR CB C 13 42.433 0.076 . 1 . 244 . . 109 TYR CB . 18005 1
278 . 1 1 26 26 TYR HB2 H 1 2.731 0.005 . 2 . 245 . . 109 TYR HB2 . 18005 1
279 . 1 1 26 26 TYR HB3 H 1 3.488 0.020 . 2 . 246 . . 109 TYR HB3 . 18005 1
280 . 1 1 26 26 TYR HD1 H 1 7.213 0.006 . 3 . 247 . . 109 TYR HD1 . 18005 1
281 . 1 1 26 26 TYR HD2 H 1 7.213 0.006 . 3 . 247 . . 109 TYR HD2 . 18005 1
282 . 1 1 26 26 TYR HE1 H 1 7.398 0.016 . 3 . 248 . . 109 TYR HE1 . 18005 1
283 . 1 1 26 26 TYR HE2 H 1 7.398 0.016 . 3 . 248 . . 109 TYR HE2 . 18005 1
284 . 1 1 26 26 TYR CE1 C 13 118.542 0.198 . 3 . 249 . . 109 TYR CE1 . 18005 1
285 . 1 1 26 26 TYR CE2 C 13 118.542 0.198 . 3 . 249 . . 109 TYR CE2 . 18005 1
286 . 1 1 26 26 TYR CD1 C 13 134.468 0.142 . 3 . 250 . . 109 TYR CD1 . 18005 1
287 . 1 1 26 26 TYR CD2 C 13 134.468 0.142 . 3 . 250 . . 109 TYR CD2 . 18005 1
288 . 1 1 27 27 PRO CD C 13 51.159 0.012 . 1 . 251 . . 110 PRO CD . 18005 1
289 . 1 1 27 27 PRO CA C 13 62.946 0.200 . 1 . 252 . . 110 PRO CA . 18005 1
290 . 1 1 27 27 PRO HA H 1 4.953 0.020 . 1 . 253 . . 110 PRO HA . 18005 1
291 . 1 1 27 27 PRO CB C 13 32.993 0.076 . 1 . 254 . . 110 PRO CB . 18005 1
292 . 1 1 27 27 PRO HB2 H 1 2.136 0.020 . 2 . 255 . . 110 PRO HB2 . 18005 1
293 . 1 1 27 27 PRO HB3 H 1 2.591 0.001 . 2 . 256 . . 110 PRO HB3 . 18005 1
294 . 1 1 27 27 PRO CG C 13 27.675 0.033 . 1 . 257 . . 110 PRO CG . 18005 1
295 . 1 1 27 27 PRO HG2 H 1 2.202 0.020 . 2 . 258 . . 110 PRO HG2 . 18005 1
296 . 1 1 27 27 PRO HG3 H 1 2.355 0.020 . 2 . 259 . . 110 PRO HG3 . 18005 1
297 . 1 1 27 27 PRO HD2 H 1 3.996 0.020 . 2 . 260 . . 110 PRO HD2 . 18005 1
298 . 1 1 27 27 PRO HD3 H 1 4.224 0.020 . 2 . 261 . . 110 PRO HD3 . 18005 1
299 . 1 1 28 28 ALA N N 15 124.981 0.030 . 1 . 262 . . 111 ALA N . 18005 1
300 . 1 1 28 28 ALA H H 1 8.967 0.004 . 1 . 263 . . 111 ALA H . 18005 1
301 . 1 1 28 28 ALA CA C 13 51.495 0.004 . 1 . 264 . . 111 ALA CA . 18005 1
302 . 1 1 28 28 ALA HA H 1 5.158 0.020 . 1 . 265 . . 111 ALA HA . 18005 1
303 . 1 1 28 28 ALA HB1 H 1 0.876 0.020 . 1 . 266 . . 111 ALA HB1 . 18005 1
304 . 1 1 28 28 ALA HB2 H 1 0.876 0.020 . 1 . 266 . . 111 ALA HB2 . 18005 1
305 . 1 1 28 28 ALA HB3 H 1 0.876 0.020 . 1 . 266 . . 111 ALA HB3 . 18005 1
306 . 1 1 28 28 ALA CB C 13 23.422 0.001 . 1 . 267 . . 111 ALA CB . 18005 1
307 . 1 1 29 29 THR N N 15 110.681 0.013 . 1 . 268 . . 112 THR N . 18005 1
308 . 1 1 29 29 THR H H 1 7.989 0.020 . 1 . 269 . . 112 THR H . 18005 1
309 . 1 1 29 29 THR CA C 13 60.350 0.037 . 1 . 270 . . 112 THR CA . 18005 1
310 . 1 1 29 29 THR HA H 1 5.181 0.001 . 1 . 271 . . 112 THR HA . 18005 1
311 . 1 1 29 29 THR CB C 13 72.029 0.009 . 1 . 272 . . 112 THR CB . 18005 1
312 . 1 1 29 29 THR HB H 1 3.643 0.001 . 1 . 273 . . 112 THR HB . 18005 1
313 . 1 1 29 29 THR HG21 H 1 1.067 0.001 . 1 . 274 . . 112 THR HG21 . 18005 1
314 . 1 1 29 29 THR HG22 H 1 1.067 0.001 . 1 . 274 . . 112 THR HG22 . 18005 1
315 . 1 1 29 29 THR HG23 H 1 1.067 0.001 . 1 . 274 . . 112 THR HG23 . 18005 1
316 . 1 1 29 29 THR CG2 C 13 21.977 0.007 . 1 . 275 . . 112 THR CG2 . 18005 1
317 . 1 1 30 30 ILE N N 15 122.100 0.010 . 1 . 276 . . 113 ILE N . 18005 1
318 . 1 1 30 30 ILE H H 1 8.226 0.002 . 1 . 277 . . 113 ILE H . 18005 1
319 . 1 1 30 30 ILE CA C 13 63.346 0.019 . 1 . 278 . . 113 ILE CA . 18005 1
320 . 1 1 30 30 ILE HA H 1 3.895 0.003 . 1 . 279 . . 113 ILE HA . 18005 1
321 . 1 1 30 30 ILE CB C 13 38.293 0.034 . 1 . 280 . . 113 ILE CB . 18005 1
322 . 1 1 30 30 ILE HB H 1 1.887 0.003 . 1 . 281 . . 113 ILE HB . 18005 1
323 . 1 1 30 30 ILE HG21 H 1 0.596 0.013 . 1 . 282 . . 113 ILE HG21 . 18005 1
324 . 1 1 30 30 ILE HG22 H 1 0.596 0.013 . 1 . 282 . . 113 ILE HG22 . 18005 1
325 . 1 1 30 30 ILE HG23 H 1 0.596 0.013 . 1 . 282 . . 113 ILE HG23 . 18005 1
326 . 1 1 30 30 ILE CG2 C 13 19.008 0.043 . 1 . 283 . . 113 ILE CG2 . 18005 1
327 . 1 1 30 30 ILE CG1 C 13 28.171 0.038 . 1 . 284 . . 113 ILE CG1 . 18005 1
328 . 1 1 30 30 ILE HG12 H 1 0.525 0.020 . 2 . 285 . . 113 ILE HG12 . 18005 1
329 . 1 1 30 30 ILE HG13 H 1 1.581 0.004 . 2 . 286 . . 113 ILE HG13 . 18005 1
330 . 1 1 30 30 ILE HD11 H 1 0.566 0.001 . 1 . 287 . . 113 ILE HD11 . 18005 1
331 . 1 1 30 30 ILE HD12 H 1 0.566 0.001 . 1 . 287 . . 113 ILE HD12 . 18005 1
332 . 1 1 30 30 ILE HD13 H 1 0.566 0.001 . 1 . 287 . . 113 ILE HD13 . 18005 1
333 . 1 1 30 30 ILE CD1 C 13 14.951 0.040 . 1 . 288 . . 113 ILE CD1 . 18005 1
334 . 1 1 31 31 ALA N N 15 133.971 0.024 . 1 . 289 . . 114 ALA N . 18005 1
335 . 1 1 31 31 ALA H H 1 9.497 0.004 . 1 . 290 . . 114 ALA H . 18005 1
336 . 1 1 31 31 ALA CA C 13 53.322 0.142 . 1 . 291 . . 114 ALA CA . 18005 1
337 . 1 1 31 31 ALA HA H 1 4.417 0.020 . 1 . 292 . . 114 ALA HA . 18005 1
338 . 1 1 31 31 ALA HB1 H 1 1.233 0.020 . 1 . 293 . . 114 ALA HB1 . 18005 1
339 . 1 1 31 31 ALA HB2 H 1 1.233 0.020 . 1 . 293 . . 114 ALA HB2 . 18005 1
340 . 1 1 31 31 ALA HB3 H 1 1.233 0.020 . 1 . 293 . . 114 ALA HB3 . 18005 1
341 . 1 1 31 31 ALA CB C 13 20.189 0.012 . 1 . 294 . . 114 ALA CB . 18005 1
342 . 1 1 32 32 SER N N 15 109.698 0.011 . 1 . 295 . . 115 SER N . 18005 1
343 . 1 1 32 32 SER H H 1 7.566 0.010 . 1 . 296 . . 115 SER H . 18005 1
344 . 1 1 32 32 SER CA C 13 57.725 0.028 . 1 . 297 . . 115 SER CA . 18005 1
345 . 1 1 32 32 SER HA H 1 4.382 0.020 . 1 . 298 . . 115 SER HA . 18005 1
346 . 1 1 32 32 SER CB C 13 63.623 0.036 . 1 . 299 . . 115 SER CB . 18005 1
347 . 1 1 32 32 SER HB2 H 1 3.741 0.020 . 1 . 300 . . 115 SER HB2 . 18005 1
348 . 1 1 32 32 SER HB3 H 1 3.741 0.020 . 1 . 631 . . 115 SER HB3 . 18005 1
349 . 1 1 33 33 ILE N N 15 120.424 0.039 . 1 . 301 . . 116 ILE N . 18005 1
350 . 1 1 33 33 ILE H H 1 8.395 0.016 . 1 . 302 . . 116 ILE H . 18005 1
351 . 1 1 33 33 ILE CA C 13 61.692 0.084 . 1 . 303 . . 116 ILE CA . 18005 1
352 . 1 1 33 33 ILE HA H 1 4.146 0.011 . 1 . 304 . . 116 ILE HA . 18005 1
353 . 1 1 33 33 ILE CB C 13 42.958 0.030 . 1 . 305 . . 116 ILE CB . 18005 1
354 . 1 1 33 33 ILE HB H 1 0.997 0.015 . 1 . 306 . . 116 ILE HB . 18005 1
355 . 1 1 33 33 ILE HG21 H 1 0.033 0.003 . 1 . 307 . . 116 ILE HG21 . 18005 1
356 . 1 1 33 33 ILE HG22 H 1 0.033 0.003 . 1 . 307 . . 116 ILE HG22 . 18005 1
357 . 1 1 33 33 ILE HG23 H 1 0.033 0.003 . 1 . 307 . . 116 ILE HG23 . 18005 1
358 . 1 1 33 33 ILE CG2 C 13 16.108 0.125 . 1 . 308 . . 116 ILE CG2 . 18005 1
359 . 1 1 33 33 ILE CG1 C 13 29.300 0.125 . 1 . 309 . . 116 ILE CG1 . 18005 1
360 . 1 1 33 33 ILE HG12 H 1 0.459 0.008 . 2 . 310 . . 116 ILE HG12 . 18005 1
361 . 1 1 33 33 ILE HG13 H 1 1.199 0.010 . 2 . 311 . . 116 ILE HG13 . 18005 1
362 . 1 1 33 33 ILE HD11 H 1 0.656 0.012 . 1 . 312 . . 116 ILE HD11 . 18005 1
363 . 1 1 33 33 ILE HD12 H 1 0.656 0.012 . 1 . 312 . . 116 ILE HD12 . 18005 1
364 . 1 1 33 33 ILE HD13 H 1 0.656 0.012 . 1 . 312 . . 116 ILE HD13 . 18005 1
365 . 1 1 33 33 ILE CD1 C 13 14.266 0.034 . 1 . 313 . . 116 ILE CD1 . 18005 1
366 . 1 1 34 34 ASP N N 15 127.025 0.032 . 1 . 314 . . 117 ASP N . 18005 1
367 . 1 1 34 34 ASP H H 1 8.631 0.011 . 1 . 315 . . 117 ASP H . 18005 1
368 . 1 1 34 34 ASP HA H 1 4.758 0.007 . 1 . 316 . . 117 ASP HA . 18005 1
369 . 1 1 34 34 ASP CB C 13 40.986 0.032 . 1 . 317 . . 117 ASP CB . 18005 1
370 . 1 1 34 34 ASP HB2 H 1 2.178 0.020 . 2 . 318 . . 117 ASP HB2 . 18005 1
371 . 1 1 34 34 ASP HB3 H 1 3.145 0.020 . 2 . 319 . . 117 ASP HB3 . 18005 1
372 . 1 1 35 35 PHE N N 15 122.874 0.011 . 1 . 320 . . 118 PHE N . 18005 1
373 . 1 1 35 35 PHE H H 1 8.649 0.006 . 1 . 321 . . 118 PHE H . 18005 1
374 . 1 1 35 35 PHE CA C 13 61.804 0.072 . 1 . 322 . . 118 PHE CA . 18005 1
375 . 1 1 35 35 PHE HA H 1 4.100 0.002 . 1 . 323 . . 118 PHE HA . 18005 1
376 . 1 1 35 35 PHE CB C 13 39.025 0.053 . 1 . 324 . . 118 PHE CB . 18005 1
377 . 1 1 35 35 PHE HB2 H 1 2.939 0.002 . 2 . 325 . . 118 PHE HB2 . 18005 1
378 . 1 1 35 35 PHE HB3 H 1 3.282 0.002 . 2 . 326 . . 118 PHE HB3 . 18005 1
379 . 1 1 35 35 PHE HD1 H 1 7.368 0.004 . 3 . 327 . . 118 PHE HD1 . 18005 1
380 . 1 1 35 35 PHE HD2 H 1 7.368 0.004 . 3 . 327 . . 118 PHE HD2 . 18005 1
381 . 1 1 35 35 PHE HE1 H 1 7.456 0.005 . 3 . 328 . . 118 PHE HE1 . 18005 1
382 . 1 1 35 35 PHE HE2 H 1 7.456 0.005 . 3 . 328 . . 118 PHE HE2 . 18005 1
383 . 1 1 35 35 PHE CZ C 13 130.529 0.200 . 1 . 329 . . 118 PHE CZ . 18005 1
384 . 1 1 35 35 PHE HZ H 1 7.463 0.020 . 1 . 330 . . 118 PHE HZ . 18005 1
385 . 1 1 35 35 PHE CE1 C 13 131.723 0.114 . 3 . 331 . . 118 PHE CE1 . 18005 1
386 . 1 1 35 35 PHE CE2 C 13 131.723 0.114 . 3 . 331 . . 118 PHE CE2 . 18005 1
387 . 1 1 35 35 PHE CD1 C 13 131.914 0.044 . 3 . 332 . . 118 PHE CD1 . 18005 1
388 . 1 1 35 35 PHE CD2 C 13 131.914 0.044 . 3 . 332 . . 118 PHE CD2 . 18005 1
389 . 1 1 36 36 LYS N N 15 119.211 0.007 . 1 . 333 . . 119 LYS N . 18005 1
390 . 1 1 36 36 LYS H H 1 8.267 0.012 . 1 . 334 . . 119 LYS H . 18005 1
391 . 1 1 36 36 LYS CA C 13 58.796 0.069 . 1 . 335 . . 119 LYS CA . 18005 1
392 . 1 1 36 36 LYS HA H 1 4.246 0.024 . 1 . 336 . . 119 LYS HA . 18005 1
393 . 1 1 36 36 LYS CB C 13 32.129 0.046 . 1 . 337 . . 119 LYS CB . 18005 1
394 . 1 1 36 36 LYS HB2 H 1 1.960 0.020 . 2 . 338 . . 119 LYS HB2 . 18005 1
395 . 1 1 36 36 LYS HB3 H 1 2.000 0.020 . 2 . 339 . . 119 LYS HB3 . 18005 1
396 . 1 1 36 36 LYS CG C 13 25.051 0.220 . 1 . 340 . . 119 LYS CG . 18005 1
397 . 1 1 36 36 LYS HG2 H 1 1.439 0.014 . 2 . 341 . . 119 LYS HG2 . 18005 1
398 . 1 1 36 36 LYS HG3 H 1 1.526 0.002 . 2 . 342 . . 119 LYS HG3 . 18005 1
399 . 1 1 36 36 LYS CD C 13 28.941 0.130 . 1 . 343 . . 119 LYS CD . 18005 1
400 . 1 1 36 36 LYS HD2 H 1 1.656 0.003 . 2 . 344 . . 119 LYS HD2 . 18005 1
401 . 1 1 36 36 LYS HD3 H 1 1.721 0.020 . 2 . 345 . . 119 LYS HD3 . 18005 1
402 . 1 1 37 37 ARG N N 15 116.686 0.010 . 1 . 346 . . 120 ARG N . 18005 1
403 . 1 1 37 37 ARG H H 1 7.556 0.009 . 1 . 347 . . 120 ARG H . 18005 1
404 . 1 1 37 37 ARG CA C 13 56.456 0.036 . 1 . 348 . . 120 ARG CA . 18005 1
405 . 1 1 37 37 ARG HA H 1 4.205 0.007 . 1 . 349 . . 120 ARG HA . 18005 1
406 . 1 1 37 37 ARG CB C 13 31.156 0.104 . 1 . 350 . . 120 ARG CB . 18005 1
407 . 1 1 37 37 ARG HB2 H 1 1.424 0.020 . 2 . 351 . . 120 ARG HB2 . 18005 1
408 . 1 1 37 37 ARG HB3 H 1 1.910 0.009 . 2 . 352 . . 120 ARG HB3 . 18005 1
409 . 1 1 37 37 ARG CG C 13 28.680 0.129 . 1 . 353 . . 120 ARG CG . 18005 1
410 . 1 1 37 37 ARG HG2 H 1 1.510 0.004 . 2 . 354 . . 120 ARG HG2 . 18005 1
411 . 1 1 37 37 ARG HG3 H 1 1.661 0.021 . 2 . 355 . . 120 ARG HG3 . 18005 1
412 . 1 1 37 37 ARG CD C 13 43.349 0.055 . 1 . 356 . . 120 ARG CD . 18005 1
413 . 1 1 37 37 ARG HD2 H 1 3.125 0.006 . 2 . 357 . . 120 ARG HD2 . 18005 1
414 . 1 1 37 37 ARG HD3 H 1 3.180 0.004 . 2 . 358 . . 120 ARG HD3 . 18005 1
415 . 1 1 38 38 GLU H H 1 8.105 0.010 . 1 . 359 . . 121 GLU H . 18005 1
416 . 1 1 38 38 GLU CA C 13 57.771 0.167 . 1 . 360 . . 121 GLU CA . 18005 1
417 . 1 1 38 38 GLU HA H 1 3.707 0.007 . 1 . 361 . . 121 GLU HA . 18005 1
418 . 1 1 38 38 GLU CB C 13 26.595 0.127 . 1 . 362 . . 121 GLU CB . 18005 1
419 . 1 1 38 38 GLU HB2 H 1 2.178 0.020 . 2 . 363 . . 121 GLU HB2 . 18005 1
420 . 1 1 38 38 GLU HB3 H 1 2.435 0.006 . 2 . 364 . . 121 GLU HB3 . 18005 1
421 . 1 1 38 38 GLU CG C 13 37.138 0.038 . 1 . 365 . . 121 GLU CG . 18005 1
422 . 1 1 38 38 GLU HG2 H 1 2.174 0.020 . 1 . 366 . . 121 GLU HG2 . 18005 1
423 . 1 1 38 38 GLU HG3 H 1 2.174 0.020 . 1 . 632 . . 121 GLU HG3 . 18005 1
424 . 1 1 39 39 THR N N 15 109.725 0.030 . 1 . 367 . . 122 THR N . 18005 1
425 . 1 1 39 39 THR H H 1 7.922 0.002 . 1 . 368 . . 122 THR H . 18005 1
426 . 1 1 39 39 THR CA C 13 59.359 0.041 . 1 . 369 . . 122 THR CA . 18005 1
427 . 1 1 39 39 THR HA H 1 5.092 0.005 . 1 . 370 . . 122 THR HA . 18005 1
428 . 1 1 39 39 THR CB C 13 72.709 0.044 . 1 . 371 . . 122 THR CB . 18005 1
429 . 1 1 39 39 THR HB H 1 4.157 0.003 . 1 . 372 . . 122 THR HB . 18005 1
430 . 1 1 39 39 THR HG21 H 1 1.075 0.003 . 1 . 373 . . 122 THR HG21 . 18005 1
431 . 1 1 39 39 THR HG22 H 1 1.075 0.003 . 1 . 373 . . 122 THR HG22 . 18005 1
432 . 1 1 39 39 THR HG23 H 1 1.075 0.003 . 1 . 373 . . 122 THR HG23 . 18005 1
433 . 1 1 39 39 THR CG2 C 13 21.356 0.026 . 1 . 374 . . 122 THR CG2 . 18005 1
434 . 1 1 40 40 CYS N N 15 114.310 0.012 . 1 . 375 . . 123 CYS N . 18005 1
435 . 1 1 40 40 CYS H H 1 9.380 0.016 . 1 . 376 . . 123 CYS H . 18005 1
436 . 1 1 40 40 CYS CA C 13 55.168 0.015 . 1 . 377 . . 123 CYS CA . 18005 1
437 . 1 1 40 40 CYS HA H 1 5.149 0.001 . 1 . 378 . . 123 CYS HA . 18005 1
438 . 1 1 40 40 CYS CB C 13 32.537 0.209 . 1 . 379 . . 123 CYS CB . 18005 1
439 . 1 1 40 40 CYS HB2 H 1 2.634 0.020 . 2 . 380 . . 123 CYS HB2 . 18005 1
440 . 1 1 40 40 CYS HB3 H 1 3.106 0.001 . 2 . 381 . . 123 CYS HB3 . 18005 1
441 . 1 1 40 40 CYS HG H 1 0.906 0.020 . 1 . 382 . . 123 CYS HG . 18005 1
442 . 1 1 41 41 VAL N N 15 118.871 0.094 . 1 . 383 . . 124 VAL N . 18005 1
443 . 1 1 41 41 VAL H H 1 7.990 0.010 . 1 . 384 . . 124 VAL H . 18005 1
444 . 1 1 41 41 VAL CA C 13 61.917 0.067 . 1 . 385 . . 124 VAL CA . 18005 1
445 . 1 1 41 41 VAL HA H 1 4.517 0.006 . 1 . 386 . . 124 VAL HA . 18005 1
446 . 1 1 41 41 VAL CB C 13 33.146 0.148 . 1 . 387 . . 124 VAL CB . 18005 1
447 . 1 1 41 41 VAL HB H 1 1.887 0.007 . 1 . 388 . . 124 VAL HB . 18005 1
448 . 1 1 41 41 VAL HG11 H 1 0.674 0.008 . 2 . 389 . . 124 VAL HG11 . 18005 1
449 . 1 1 41 41 VAL HG12 H 1 0.674 0.008 . 2 . 389 . . 124 VAL HG12 . 18005 1
450 . 1 1 41 41 VAL HG13 H 1 0.674 0.008 . 2 . 389 . . 124 VAL HG13 . 18005 1
451 . 1 1 41 41 VAL HG21 H 1 0.764 0.001 . 2 . 390 . . 124 VAL HG21 . 18005 1
452 . 1 1 41 41 VAL HG22 H 1 0.764 0.001 . 2 . 390 . . 124 VAL HG22 . 18005 1
453 . 1 1 41 41 VAL HG23 H 1 0.764 0.001 . 2 . 390 . . 124 VAL HG23 . 18005 1
454 . 1 1 41 41 VAL CG1 C 13 21.307 0.084 . 2 . 391 . . 124 VAL CG1 . 18005 1
455 . 1 1 41 41 VAL CG2 C 13 21.628 0.021 . 2 . 392 . . 124 VAL CG2 . 18005 1
456 . 1 1 42 42 VAL N N 15 119.179 0.015 . 1 . 393 . . 125 VAL N . 18005 1
457 . 1 1 42 42 VAL H H 1 8.584 0.003 . 1 . 394 . . 125 VAL H . 18005 1
458 . 1 1 42 42 VAL CA C 13 57.757 0.071 . 1 . 395 . . 125 VAL CA . 18005 1
459 . 1 1 42 42 VAL HA H 1 4.983 0.020 . 1 . 396 . . 125 VAL HA . 18005 1
460 . 1 1 42 42 VAL CB C 13 33.675 0.005 . 1 . 397 . . 125 VAL CB . 18005 1
461 . 1 1 42 42 VAL HB H 1 1.355 0.002 . 1 . 398 . . 125 VAL HB . 18005 1
462 . 1 1 42 42 VAL HG11 H 1 0.435 0.002 . 2 . 399 . . 125 VAL HG11 . 18005 1
463 . 1 1 42 42 VAL HG12 H 1 0.435 0.002 . 2 . 399 . . 125 VAL HG12 . 18005 1
464 . 1 1 42 42 VAL HG13 H 1 0.435 0.002 . 2 . 399 . . 125 VAL HG13 . 18005 1
465 . 1 1 42 42 VAL HG21 H 1 0.226 0.012 . 2 . 400 . . 125 VAL HG21 . 18005 1
466 . 1 1 42 42 VAL HG22 H 1 0.226 0.012 . 2 . 400 . . 125 VAL HG22 . 18005 1
467 . 1 1 42 42 VAL HG23 H 1 0.226 0.012 . 2 . 400 . . 125 VAL HG23 . 18005 1
468 . 1 1 42 42 VAL CG1 C 13 22.915 0.020 . 2 . 401 . . 125 VAL CG1 . 18005 1
469 . 1 1 42 42 VAL CG2 C 13 17.529 0.031 . 2 . 402 . . 125 VAL CG2 . 18005 1
470 . 1 1 43 43 VAL N N 15 118.691 0.034 . 1 . 403 . . 126 VAL N . 18005 1
471 . 1 1 43 43 VAL H H 1 8.407 0.013 . 1 . 404 . . 126 VAL H . 18005 1
472 . 1 1 43 43 VAL CA C 13 59.537 0.016 . 1 . 405 . . 126 VAL CA . 18005 1
473 . 1 1 43 43 VAL HA H 1 4.417 0.001 . 1 . 406 . . 126 VAL HA . 18005 1
474 . 1 1 43 43 VAL CB C 13 33.581 0.001 . 1 . 407 . . 126 VAL CB . 18005 1
475 . 1 1 43 43 VAL HB H 1 1.669 0.007 . 1 . 408 . . 126 VAL HB . 18005 1
476 . 1 1 43 43 VAL HG11 H 1 0.678 0.002 . 2 . 409 . . 126 VAL HG11 . 18005 1
477 . 1 1 43 43 VAL HG12 H 1 0.678 0.002 . 2 . 409 . . 126 VAL HG12 . 18005 1
478 . 1 1 43 43 VAL HG13 H 1 0.678 0.002 . 2 . 409 . . 126 VAL HG13 . 18005 1
479 . 1 1 43 43 VAL HG21 H 1 0.702 0.001 . 2 . 410 . . 126 VAL HG21 . 18005 1
480 . 1 1 43 43 VAL HG22 H 1 0.702 0.001 . 2 . 410 . . 126 VAL HG22 . 18005 1
481 . 1 1 43 43 VAL HG23 H 1 0.702 0.001 . 2 . 410 . . 126 VAL HG23 . 18005 1
482 . 1 1 43 43 VAL CG1 C 13 20.230 0.052 . 2 . 411 . . 126 VAL CG1 . 18005 1
483 . 1 1 43 43 VAL CG2 C 13 21.123 0.022 . 2 . 412 . . 126 VAL CG2 . 18005 1
484 . 1 1 44 44 TYR N N 15 128.406 0.082 . 1 . 413 . . 127 TYR N . 18005 1
485 . 1 1 44 44 TYR H H 1 8.543 0.006 . 1 . 414 . . 127 TYR H . 18005 1
486 . 1 1 44 44 TYR CA C 13 60.100 0.081 . 1 . 415 . . 127 TYR CA . 18005 1
487 . 1 1 44 44 TYR HA H 1 4.530 0.006 . 1 . 416 . . 127 TYR HA . 18005 1
488 . 1 1 44 44 TYR CB C 13 37.690 0.087 . 1 . 417 . . 127 TYR CB . 18005 1
489 . 1 1 44 44 TYR HB2 H 1 2.610 0.020 . 2 . 418 . . 127 TYR HB2 . 18005 1
490 . 1 1 44 44 TYR HB3 H 1 2.966 0.020 . 2 . 419 . . 127 TYR HB3 . 18005 1
491 . 1 1 44 44 TYR HD1 H 1 6.786 0.016 . 3 . 420 . . 127 TYR HD1 . 18005 1
492 . 1 1 44 44 TYR HD2 H 1 6.786 0.016 . 3 . 420 . . 127 TYR HD2 . 18005 1
493 . 1 1 44 44 TYR HE1 H 1 6.542 0.009 . 3 . 421 . . 127 TYR HE1 . 18005 1
494 . 1 1 44 44 TYR HE2 H 1 6.542 0.009 . 3 . 421 . . 127 TYR HE2 . 18005 1
495 . 1 1 44 44 TYR CE1 C 13 117.370 0.009 . 3 . 422 . . 127 TYR CE1 . 18005 1
496 . 1 1 44 44 TYR CE2 C 13 117.370 0.009 . 3 . 422 . . 127 TYR CE2 . 18005 1
497 . 1 1 44 44 TYR CD1 C 13 133.272 0.072 . 3 . 423 . . 127 TYR CD1 . 18005 1
498 . 1 1 44 44 TYR CD2 C 13 133.272 0.072 . 3 . 423 . . 127 TYR CD2 . 18005 1
499 . 1 1 44 44 TYR HH H 1 9.547 0.003 . 1 . 424 . . 127 TYR HH . 18005 1
500 . 1 1 45 45 THR N N 15 125.529 0.005 . 1 . 425 . . 128 THR N . 18005 1
501 . 1 1 45 45 THR H H 1 8.716 0.006 . 1 . 426 . . 128 THR H . 18005 1
502 . 1 1 45 45 THR CA C 13 64.625 0.004 . 1 . 427 . . 128 THR CA . 18005 1
503 . 1 1 45 45 THR HA H 1 3.873 0.001 . 1 . 428 . . 128 THR HA . 18005 1
504 . 1 1 45 45 THR CB C 13 69.032 0.012 . 1 . 429 . . 128 THR CB . 18005 1
505 . 1 1 45 45 THR HB H 1 3.877 0.001 . 1 . 430 . . 128 THR HB . 18005 1
506 . 1 1 45 45 THR HG21 H 1 1.239 0.020 . 1 . 431 . . 128 THR HG21 . 18005 1
507 . 1 1 45 45 THR HG22 H 1 1.239 0.020 . 1 . 431 . . 128 THR HG22 . 18005 1
508 . 1 1 45 45 THR HG23 H 1 1.239 0.020 . 1 . 431 . . 128 THR HG23 . 18005 1
509 . 1 1 45 45 THR CG2 C 13 22.568 0.200 . 1 . 432 . . 128 THR CG2 . 18005 1
510 . 1 1 46 46 GLY N N 15 114.439 0.200 . 1 . 433 . . 129 GLY N . 18005 1
511 . 1 1 46 46 GLY H H 1 9.134 0.020 . 1 . 434 . . 129 GLY H . 18005 1
512 . 1 1 46 46 GLY CA C 13 46.023 0.027 . 1 . 435 . . 129 GLY CA . 18005 1
513 . 1 1 46 46 GLY HA2 H 1 3.329 0.020 . 2 . 436 . . 129 GLY HA2 . 18005 1
514 . 1 1 46 46 GLY HA3 H 1 4.045 0.020 . 2 . 437 . . 129 GLY HA3 . 18005 1
515 . 1 1 47 47 TYR N N 15 119.520 0.005 . 1 . 438 . . 130 TYR N . 18005 1
516 . 1 1 47 47 TYR H H 1 7.421 0.002 . 1 . 439 . . 130 TYR H . 18005 1
517 . 1 1 47 47 TYR CA C 13 60.090 0.043 . 1 . 440 . . 130 TYR CA . 18005 1
518 . 1 1 47 47 TYR HA H 1 4.167 0.001 . 1 . 441 . . 130 TYR HA . 18005 1
519 . 1 1 47 47 TYR CB C 13 41.092 0.049 . 1 . 442 . . 130 TYR CB . 18005 1
520 . 1 1 47 47 TYR HB2 H 1 2.257 0.004 . 2 . 443 . . 130 TYR HB2 . 18005 1
521 . 1 1 47 47 TYR HB3 H 1 2.880 0.001 . 2 . 444 . . 130 TYR HB3 . 18005 1
522 . 1 1 47 47 TYR HD1 H 1 6.843 0.001 . 3 . 445 . . 130 TYR HD1 . 18005 1
523 . 1 1 47 47 TYR HD2 H 1 6.843 0.001 . 3 . 445 . . 130 TYR HD2 . 18005 1
524 . 1 1 47 47 TYR HE1 H 1 6.810 0.004 . 3 . 446 . . 130 TYR HE1 . 18005 1
525 . 1 1 47 47 TYR HE2 H 1 6.810 0.004 . 3 . 446 . . 130 TYR HE2 . 18005 1
526 . 1 1 47 47 TYR CD1 C 13 132.478 0.030 . 3 . 447 . . 130 TYR CD1 . 18005 1
527 . 1 1 47 47 TYR CD2 C 13 132.478 0.030 . 3 . 447 . . 130 TYR CD2 . 18005 1
528 . 1 1 47 47 TYR CE1 C 13 118.478 0.055 . 3 . 448 . . 130 TYR CE1 . 18005 1
529 . 1 1 47 47 TYR CE2 C 13 118.478 0.055 . 3 . 448 . . 130 TYR CE2 . 18005 1
530 . 1 1 48 48 GLY N N 15 103.401 0.009 . 1 . 449 . . 131 GLY N . 18005 1
531 . 1 1 48 48 GLY H H 1 8.400 0.004 . 1 . 450 . . 131 GLY H . 18005 1
532 . 1 1 48 48 GLY CA C 13 45.671 0.060 . 1 . 451 . . 131 GLY CA . 18005 1
533 . 1 1 48 48 GLY HA2 H 1 3.580 0.020 . 2 . 452 . . 131 GLY HA2 . 18005 1
534 . 1 1 48 48 GLY HA3 H 1 4.107 0.020 . 2 . 453 . . 131 GLY HA3 . 18005 1
535 . 1 1 49 49 ASN N N 15 115.576 0.031 . 1 . 454 . . 132 ASN N . 18005 1
536 . 1 1 49 49 ASN H H 1 8.049 0.009 . 1 . 455 . . 132 ASN H . 18005 1
537 . 1 1 49 49 ASN HA H 1 4.776 0.020 . 1 . 456 . . 132 ASN HA . 18005 1
538 . 1 1 49 49 ASN CB C 13 37.568 0.080 . 1 . 457 . . 132 ASN CB . 18005 1
539 . 1 1 49 49 ASN HB2 H 1 2.677 0.001 . 2 . 458 . . 132 ASN HB2 . 18005 1
540 . 1 1 49 49 ASN HB3 H 1 3.021 0.020 . 2 . 459 . . 132 ASN HB3 . 18005 1
541 . 1 1 49 49 ASN ND2 N 15 115.172 0.113 . 1 . 460 . . 132 ASN ND2 . 18005 1
542 . 1 1 49 49 ASN HD21 H 1 8.439 0.002 . 1 . 461 . . 132 ASN HD21 . 18005 1
543 . 1 1 49 49 ASN HD22 H 1 4.147 0.006 . 1 . 462 . . 132 ASN HD22 . 18005 1
544 . 1 1 50 50 ARG N N 15 118.055 0.010 . 1 . 463 . . 133 ARG N . 18005 1
545 . 1 1 50 50 ARG H H 1 8.669 0.010 . 1 . 464 . . 133 ARG H . 18005 1
546 . 1 1 50 50 ARG CA C 13 54.070 0.039 . 1 . 465 . . 133 ARG CA . 18005 1
547 . 1 1 50 50 ARG HA H 1 5.796 0.006 . 1 . 466 . . 133 ARG HA . 18005 1
548 . 1 1 50 50 ARG CB C 13 34.515 0.043 . 1 . 467 . . 133 ARG CB . 18005 1
549 . 1 1 50 50 ARG HB2 H 1 1.586 0.002 . 1 . 468 . . 133 ARG HB2 . 18005 1
550 . 1 1 50 50 ARG CG C 13 26.846 0.025 . 1 . 469 . . 133 ARG CG . 18005 1
551 . 1 1 50 50 ARG HG2 H 1 1.531 0.020 . 2 . 470 . . 133 ARG HG2 . 18005 1
552 . 1 1 50 50 ARG HG3 H 1 1.578 0.020 . 2 . 471 . . 133 ARG HG3 . 18005 1
553 . 1 1 50 50 ARG CD C 13 43.757 0.121 . 1 . 472 . . 133 ARG CD . 18005 1
554 . 1 1 50 50 ARG HD2 H 1 2.941 0.008 . 2 . 473 . . 133 ARG HD2 . 18005 1
555 . 1 1 50 50 ARG HD3 H 1 3.137 0.003 . 2 . 474 . . 133 ARG HD3 . 18005 1
556 . 1 1 50 50 ARG HB3 H 1 1.586 0.002 . 1 . 633 . . 133 ARG HB3 . 18005 1
557 . 1 1 51 51 GLU N N 15 118.750 0.143 . 1 . 475 . . 134 GLU N . 18005 1
558 . 1 1 51 51 GLU H H 1 8.474 0.020 . 1 . 476 . . 134 GLU H . 18005 1
559 . 1 1 51 51 GLU CA C 13 55.796 0.110 . 1 . 477 . . 134 GLU CA . 18005 1
560 . 1 1 51 51 GLU HA H 1 4.695 0.004 . 1 . 478 . . 134 GLU HA . 18005 1
561 . 1 1 51 51 GLU CB C 13 34.404 0.084 . 1 . 479 . . 134 GLU CB . 18005 1
562 . 1 1 51 51 GLU HB2 H 1 2.297 0.020 . 1 . 480 . . 134 GLU HB2 . 18005 1
563 . 1 1 51 51 GLU CG C 13 35.263 0.183 . 1 . 481 . . 134 GLU CG . 18005 1
564 . 1 1 51 51 GLU HG2 H 1 2.431 0.001 . 2 . 482 . . 134 GLU HG2 . 18005 1
565 . 1 1 51 51 GLU HG3 H 1 2.493 0.030 . 2 . 483 . . 134 GLU HG3 . 18005 1
566 . 1 1 51 51 GLU HB3 H 1 2.297 0.020 . 1 . 634 . . 134 GLU HB3 . 18005 1
567 . 1 1 52 52 GLU N N 15 124.387 0.013 . 1 . 484 . . 135 GLU N . 18005 1
568 . 1 1 52 52 GLU H H 1 8.707 0.005 . 1 . 485 . . 135 GLU H . 18005 1
569 . 1 1 52 52 GLU CA C 13 55.779 0.010 . 1 . 486 . . 135 GLU CA . 18005 1
570 . 1 1 52 52 GLU HA H 1 5.294 0.005 . 1 . 487 . . 135 GLU HA . 18005 1
571 . 1 1 52 52 GLU CB C 13 31.156 0.096 . 1 . 488 . . 135 GLU CB . 18005 1
572 . 1 1 52 52 GLU HB2 H 1 1.910 0.001 . 2 . 489 . . 135 GLU HB2 . 18005 1
573 . 1 1 52 52 GLU HB3 H 1 1.975 0.003 . 2 . 490 . . 135 GLU HB3 . 18005 1
574 . 1 1 52 52 GLU CG C 13 37.599 0.116 . 1 . 491 . . 135 GLU CG . 18005 1
575 . 1 1 52 52 GLU HG2 H 1 2.083 0.014 . 2 . 492 . . 135 GLU HG2 . 18005 1
576 . 1 1 52 52 GLU HG3 H 1 2.274 0.013 . 2 . 493 . . 135 GLU HG3 . 18005 1
577 . 1 1 53 53 GLN N N 15 123.011 0.071 . 1 . 494 . . 136 GLN N . 18005 1
578 . 1 1 53 53 GLN H H 1 9.147 0.020 . 1 . 495 . . 136 GLN H . 18005 1
579 . 1 1 53 53 GLN CA C 13 53.742 0.021 . 1 . 496 . . 136 GLN CA . 18005 1
580 . 1 1 53 53 GLN HA H 1 4.556 0.004 . 1 . 497 . . 136 GLN HA . 18005 1
581 . 1 1 53 53 GLN CB C 13 31.858 0.104 . 1 . 498 . . 136 GLN CB . 18005 1
582 . 1 1 53 53 GLN HB2 H 1 1.224 0.001 . 2 . 499 . . 136 GLN HB2 . 18005 1
583 . 1 1 53 53 GLN HB3 H 1 2.202 0.015 . 2 . 500 . . 136 GLN HB3 . 18005 1
584 . 1 1 53 53 GLN CG C 13 32.579 0.209 . 1 . 501 . . 136 GLN CG . 18005 1
585 . 1 1 53 53 GLN HG2 H 1 1.868 0.003 . 2 . 502 . . 136 GLN HG2 . 18005 1
586 . 1 1 53 53 GLN HG3 H 1 2.160 0.020 . 2 . 503 . . 136 GLN HG3 . 18005 1
587 . 1 1 53 53 GLN NE2 N 15 112.265 0.050 . 1 . 504 . . 136 GLN NE2 . 18005 1
588 . 1 1 53 53 GLN HE21 H 1 7.139 0.001 . 1 . 505 . . 136 GLN HE21 . 18005 1
589 . 1 1 53 53 GLN HE22 H 1 6.236 0.003 . 1 . 506 . . 136 GLN HE22 . 18005 1
590 . 1 1 54 54 ASN N N 15 119.677 0.024 . 1 . 507 . . 137 ASN N . 18005 1
591 . 1 1 54 54 ASN H H 1 9.192 0.010 . 1 . 508 . . 137 ASN H . 18005 1
592 . 1 1 54 54 ASN CA C 13 53.715 0.045 . 1 . 509 . . 137 ASN CA . 18005 1
593 . 1 1 54 54 ASN HA H 1 4.847 0.020 . 1 . 510 . . 137 ASN HA . 18005 1
594 . 1 1 54 54 ASN CB C 13 37.985 0.150 . 1 . 511 . . 137 ASN CB . 18005 1
595 . 1 1 54 54 ASN HB2 H 1 2.623 0.035 . 2 . 512 . . 137 ASN HB2 . 18005 1
596 . 1 1 54 54 ASN HB3 H 1 3.007 0.020 . 2 . 513 . . 137 ASN HB3 . 18005 1
597 . 1 1 54 54 ASN ND2 N 15 114.697 0.082 . 1 . 514 . . 137 ASN ND2 . 18005 1
598 . 1 1 54 54 ASN HD21 H 1 7.514 0.004 . 1 . 515 . . 137 ASN HD21 . 18005 1
599 . 1 1 54 54 ASN HD22 H 1 6.973 0.016 . 1 . 516 . . 137 ASN HD22 . 18005 1
600 . 1 1 55 55 LEU N N 15 125.482 0.011 . 1 . 517 . . 138 LEU N . 18005 1
601 . 1 1 55 55 LEU H H 1 8.428 0.004 . 1 . 518 . . 138 LEU H . 18005 1
602 . 1 1 55 55 LEU CA C 13 58.364 0.056 . 1 . 519 . . 138 LEU CA . 18005 1
603 . 1 1 55 55 LEU HA H 1 3.705 0.002 . 1 . 520 . . 138 LEU HA . 18005 1
604 . 1 1 55 55 LEU CB C 13 42.296 0.062 . 1 . 521 . . 138 LEU CB . 18005 1
605 . 1 1 55 55 LEU HB2 H 1 1.518 0.015 . 2 . 522 . . 138 LEU HB2 . 18005 1
606 . 1 1 55 55 LEU HB3 H 1 1.692 0.007 . 2 . 523 . . 138 LEU HB3 . 18005 1
607 . 1 1 55 55 LEU CG C 13 27.684 0.099 . 1 . 524 . . 138 LEU CG . 18005 1
608 . 1 1 55 55 LEU HG H 1 1.068 0.009 . 1 . 525 . . 138 LEU HG . 18005 1
609 . 1 1 55 55 LEU HD11 H 1 0.790 0.005 . 2 . 526 . . 138 LEU HD11 . 18005 1
610 . 1 1 55 55 LEU HD12 H 1 0.790 0.005 . 2 . 526 . . 138 LEU HD12 . 18005 1
611 . 1 1 55 55 LEU HD13 H 1 0.790 0.005 . 2 . 526 . . 138 LEU HD13 . 18005 1
612 . 1 1 55 55 LEU HD21 H 1 0.664 0.008 . 2 . 527 . . 138 LEU HD21 . 18005 1
613 . 1 1 55 55 LEU HD22 H 1 0.664 0.008 . 2 . 527 . . 138 LEU HD22 . 18005 1
614 . 1 1 55 55 LEU HD23 H 1 0.664 0.008 . 2 . 527 . . 138 LEU HD23 . 18005 1
615 . 1 1 55 55 LEU CD1 C 13 25.543 0.038 . 2 . 528 . . 138 LEU CD1 . 18005 1
616 . 1 1 55 55 LEU CD2 C 13 22.081 0.123 . 2 . 529 . . 138 LEU CD2 . 18005 1
617 . 1 1 56 56 SER N N 15 110.933 0.104 . 1 . 530 . . 139 SER N . 18005 1
618 . 1 1 56 56 SER H H 1 8.768 0.002 . 1 . 531 . . 139 SER H . 18005 1
619 . 1 1 56 56 SER CA C 13 60.414 0.061 . 1 . 532 . . 139 SER CA . 18005 1
620 . 1 1 56 56 SER HA H 1 4.199 0.004 . 1 . 533 . . 139 SER HA . 18005 1
621 . 1 1 56 56 SER CB C 13 63.126 0.105 . 1 . 534 . . 139 SER CB . 18005 1
622 . 1 1 56 56 SER HB2 H 1 3.859 0.002 . 2 . 535 . . 139 SER HB2 . 18005 1
623 . 1 1 56 56 SER HB3 H 1 4.078 0.020 . 2 . 536 . . 139 SER HB3 . 18005 1
624 . 1 1 57 57 ASP N N 15 119.873 0.016 . 1 . 537 . . 140 ASP N . 18005 1
625 . 1 1 57 57 ASP H H 1 7.585 0.006 . 1 . 538 . . 140 ASP H . 18005 1
626 . 1 1 57 57 ASP CA C 13 54.553 0.164 . 1 . 539 . . 140 ASP CA . 18005 1
627 . 1 1 57 57 ASP HA H 1 4.876 0.009 . 1 . 540 . . 140 ASP HA . 18005 1
628 . 1 1 57 57 ASP CB C 13 41.618 0.173 . 1 . 541 . . 140 ASP CB . 18005 1
629 . 1 1 57 57 ASP HB2 H 1 2.842 0.005 . 2 . 542 . . 140 ASP HB2 . 18005 1
630 . 1 1 57 57 ASP HB3 H 1 3.015 0.005 . 2 . 543 . . 140 ASP HB3 . 18005 1
631 . 1 1 58 58 LEU N N 15 120.529 0.069 . 1 . 544 . . 141 LEU N . 18005 1
632 . 1 1 58 58 LEU H H 1 7.082 0.014 . 1 . 545 . . 141 LEU H . 18005 1
633 . 1 1 58 58 LEU CA C 13 55.535 0.048 . 1 . 546 . . 141 LEU CA . 18005 1
634 . 1 1 58 58 LEU HA H 1 4.116 0.007 . 1 . 547 . . 141 LEU HA . 18005 1
635 . 1 1 58 58 LEU CB C 13 42.662 0.098 . 1 . 548 . . 141 LEU CB . 18005 1
636 . 1 1 58 58 LEU HB2 H 1 0.667 0.009 . 2 . 549 . . 141 LEU HB2 . 18005 1
637 . 1 1 58 58 LEU HB3 H 1 1.577 0.001 . 2 . 550 . . 141 LEU HB3 . 18005 1
638 . 1 1 58 58 LEU CG C 13 26.037 0.054 . 1 . 551 . . 141 LEU CG . 18005 1
639 . 1 1 58 58 LEU HG H 1 1.442 0.012 . 1 . 552 . . 141 LEU HG . 18005 1
640 . 1 1 58 58 LEU HD11 H 1 -0.256 0.006 . 2 . 553 . . 141 LEU HD11 . 18005 1
641 . 1 1 58 58 LEU HD12 H 1 -0.256 0.006 . 2 . 553 . . 141 LEU HD12 . 18005 1
642 . 1 1 58 58 LEU HD13 H 1 -0.256 0.006 . 2 . 553 . . 141 LEU HD13 . 18005 1
643 . 1 1 58 58 LEU HD21 H 1 0.260 0.002 . 2 . 554 . . 141 LEU HD21 . 18005 1
644 . 1 1 58 58 LEU HD22 H 1 0.260 0.002 . 2 . 554 . . 141 LEU HD22 . 18005 1
645 . 1 1 58 58 LEU HD23 H 1 0.260 0.002 . 2 . 554 . . 141 LEU HD23 . 18005 1
646 . 1 1 58 58 LEU CD1 C 13 24.380 0.064 . 2 . 555 . . 141 LEU CD1 . 18005 1
647 . 1 1 58 58 LEU CD2 C 13 21.759 0.014 . 2 . 556 . . 141 LEU CD2 . 18005 1
648 . 1 1 59 59 LEU N N 15 121.708 0.030 . 1 . 557 . . 142 LEU N . 18005 1
649 . 1 1 59 59 LEU H H 1 8.410 0.007 . 1 . 558 . . 142 LEU H . 18005 1
650 . 1 1 59 59 LEU CA C 13 53.317 0.024 . 1 . 559 . . 142 LEU CA . 18005 1
651 . 1 1 59 59 LEU HA H 1 4.932 0.003 . 1 . 560 . . 142 LEU HA . 18005 1
652 . 1 1 59 59 LEU CB C 13 44.218 0.029 . 1 . 561 . . 142 LEU CB . 18005 1
653 . 1 1 59 59 LEU HB2 H 1 1.640 0.002 . 1 . 562 . . 142 LEU HB2 . 18005 1
654 . 1 1 59 59 LEU CG C 13 27.452 0.173 . 1 . 563 . . 142 LEU CG . 18005 1
655 . 1 1 59 59 LEU HG H 1 1.635 0.009 . 1 . 564 . . 142 LEU HG . 18005 1
656 . 1 1 59 59 LEU HD11 H 1 0.850 0.020 . 2 . 565 . . 142 LEU HD11 . 18005 1
657 . 1 1 59 59 LEU HD12 H 1 0.850 0.020 . 2 . 565 . . 142 LEU HD12 . 18005 1
658 . 1 1 59 59 LEU HD13 H 1 0.850 0.020 . 2 . 565 . . 142 LEU HD13 . 18005 1
659 . 1 1 59 59 LEU HD21 H 1 0.905 0.013 . 2 . 566 . . 142 LEU HD21 . 18005 1
660 . 1 1 59 59 LEU HD22 H 1 0.905 0.013 . 2 . 566 . . 142 LEU HD22 . 18005 1
661 . 1 1 59 59 LEU HD23 H 1 0.905 0.013 . 2 . 566 . . 142 LEU HD23 . 18005 1
662 . 1 1 59 59 LEU CD1 C 13 25.675 0.025 . 2 . 567 . . 142 LEU CD1 . 18005 1
663 . 1 1 59 59 LEU CD2 C 13 23.930 0.021 . 2 . 568 . . 142 LEU CD2 . 18005 1
664 . 1 1 59 59 LEU HB3 H 1 1.640 0.002 . 1 . 635 . . 142 LEU HB3 . 18005 1
665 . 1 1 60 60 SER N N 15 115.856 0.005 . 1 . 569 . . 143 SER N . 18005 1
666 . 1 1 60 60 SER H H 1 8.485 0.006 . 1 . 570 . . 143 SER H . 18005 1
667 . 1 1 60 60 SER CA C 13 58.065 0.200 . 1 . 571 . . 143 SER CA . 18005 1
668 . 1 1 60 60 SER HA H 1 4.791 0.020 . 1 . 572 . . 143 SER HA . 18005 1
669 . 1 1 60 60 SER CB C 13 62.648 0.015 . 1 . 573 . . 143 SER CB . 18005 1
670 . 1 1 60 60 SER HB2 H 1 3.883 0.020 . 2 . 574 . . 143 SER HB2 . 18005 1
671 . 1 1 60 60 SER HB3 H 1 4.002 0.014 . 2 . 575 . . 143 SER HB3 . 18005 1
672 . 1 1 61 61 PRO CD C 13 50.787 0.200 . 1 . 576 . . 144 PRO CD . 18005 1
673 . 1 1 61 61 PRO CA C 13 63.244 0.012 . 1 . 577 . . 144 PRO CA . 18005 1
674 . 1 1 61 61 PRO HA H 1 4.381 0.002 . 1 . 578 . . 144 PRO HA . 18005 1
675 . 1 1 61 61 PRO CB C 13 32.159 0.025 . 1 . 579 . . 144 PRO CB . 18005 1
676 . 1 1 61 61 PRO HB2 H 1 1.996 0.001 . 1 . 580 . . 144 PRO HB2 . 18005 1
677 . 1 1 61 61 PRO CG C 13 27.541 0.086 . 1 . 581 . . 144 PRO CG . 18005 1
678 . 1 1 61 61 PRO HG2 H 1 1.943 0.002 . 2 . 582 . . 144 PRO HG2 . 18005 1
679 . 1 1 61 61 PRO HG3 H 1 2.042 0.007 . 2 . 583 . . 144 PRO HG3 . 18005 1
680 . 1 1 61 61 PRO HD2 H 1 3.988 0.002 . 1 . 584 . . 144 PRO HD2 . 18005 1
681 . 1 1 61 61 PRO HB3 H 1 1.996 0.001 . 1 . 636 . . 144 PRO HB3 . 18005 1
682 . 1 1 61 61 PRO HD3 H 1 3.988 0.002 . 1 . 637 . . 144 PRO HD3 . 18005 1
683 . 1 1 62 62 ILE N N 15 121.489 0.011 . 1 . 585 . . 145 ILE N . 18005 1
684 . 1 1 62 62 ILE H H 1 8.321 0.019 . 1 . 586 . . 145 ILE H . 18005 1
685 . 1 1 62 62 ILE CA C 13 61.383 0.031 . 1 . 587 . . 145 ILE CA . 18005 1
686 . 1 1 62 62 ILE HA H 1 4.104 0.008 . 1 . 588 . . 145 ILE HA . 18005 1
687 . 1 1 62 62 ILE CB C 13 38.698 0.062 . 1 . 589 . . 145 ILE CB . 18005 1
688 . 1 1 62 62 ILE HB H 1 1.822 0.013 . 1 . 590 . . 145 ILE HB . 18005 1
689 . 1 1 62 62 ILE HG21 H 1 0.895 0.020 . 1 . 591 . . 145 ILE HG21 . 18005 1
690 . 1 1 62 62 ILE HG22 H 1 0.895 0.020 . 1 . 591 . . 145 ILE HG22 . 18005 1
691 . 1 1 62 62 ILE HG23 H 1 0.895 0.020 . 1 . 591 . . 145 ILE HG23 . 18005 1
692 . 1 1 62 62 ILE CG2 C 13 17.605 0.102 . 1 . 592 . . 145 ILE CG2 . 18005 1
693 . 1 1 62 62 ILE CG1 C 13 27.388 0.049 . 1 . 593 . . 145 ILE CG1 . 18005 1
694 . 1 1 62 62 ILE HG12 H 1 1.163 0.005 . 2 . 594 . . 145 ILE HG12 . 18005 1
695 . 1 1 62 62 ILE HG13 H 1 1.489 0.026 . 2 . 595 . . 145 ILE HG13 . 18005 1
696 . 1 1 62 62 ILE HD11 H 1 0.832 0.002 . 1 . 596 . . 145 ILE HD11 . 18005 1
697 . 1 1 62 62 ILE HD12 H 1 0.832 0.002 . 1 . 596 . . 145 ILE HD12 . 18005 1
698 . 1 1 62 62 ILE HD13 H 1 0.832 0.002 . 1 . 596 . . 145 ILE HD13 . 18005 1
699 . 1 1 62 62 ILE CD1 C 13 13.105 0.190 . 1 . 597 . . 145 ILE CD1 . 18005 1
700 . 1 1 63 63 CYS N N 15 124.240 0.040 . 1 . 598 . . 146 CYS N . 18005 1
701 . 1 1 63 63 CYS H H 1 8.412 0.006 . 1 . 599 . . 146 CYS H . 18005 1
702 . 1 1 63 63 CYS CA C 13 58.447 0.038 . 1 . 600 . . 146 CYS CA . 18005 1
703 . 1 1 63 63 CYS HA H 1 4.528 0.018 . 1 . 601 . . 146 CYS HA . 18005 1
704 . 1 1 63 63 CYS CB C 13 28.329 0.079 . 1 . 602 . . 146 CYS CB . 18005 1
705 . 1 1 63 63 CYS HB2 H 1 2.880 0.001 . 2 . 603 . . 146 CYS HB2 . 18005 1
706 . 1 1 63 63 CYS HB3 H 1 2.944 0.020 . 2 . 604 . . 146 CYS HB3 . 18005 1
707 . 1 1 64 64 GLU N N 15 128.655 0.028 . 1 . 605 . . 147 GLU N . 18005 1
708 . 1 1 64 64 GLU H H 1 8.089 0.014 . 1 . 606 . . 147 GLU H . 18005 1
709 . 1 1 64 64 GLU CA C 13 58.131 0.024 . 1 . 607 . . 147 GLU CA . 18005 1
710 . 1 1 64 64 GLU HA H 1 4.112 0.020 . 1 . 608 . . 147 GLU HA . 18005 1
711 . 1 1 64 64 GLU CB C 13 31.289 0.126 . 1 . 609 . . 147 GLU CB . 18005 1
712 . 1 1 64 64 GLU HB2 H 1 1.863 0.008 . 2 . 610 . . 147 GLU HB2 . 18005 1
713 . 1 1 64 64 GLU HB3 H 1 2.024 0.020 . 2 . 611 . . 147 GLU HB3 . 18005 1
714 . 1 1 64 64 GLU CG C 13 37.084 0.200 . 1 . 612 . . 147 GLU CG . 18005 1
715 . 1 1 64 64 GLU HG2 H 1 2.167 0.008 . 1 . 613 . . 147 GLU HG2 . 18005 1
716 . 1 1 64 64 GLU HG3 H 1 2.167 0.008 . 1 . 638 . . 147 GLU HG3 . 18005 1
717 . 2 2 1 1 2MR HA H 1 3.757 0.020 . 1 . 614 . . 1 2MR HA . 18005 1
718 . 2 2 1 1 2MR HB2 H 1 1.897 0.011 . 1 . 615 . . 1 2MR HB1 . 18005 1
719 . 2 2 1 1 2MR HG2 H 1 1.653 0.017 . 1 . 616 . . 1 2MR HG1 . 18005 1
720 . 2 2 1 1 2MR HD2 H 1 2.991 0.039 . 1 . 617 . . 1 2MR HD1 . 18005 1
721 . 2 2 1 1 2MR HH1 H 1 6.301 0.002 . 1 . 618 . . 1 2MR HH1 . 18005 1
722 . 2 2 1 1 2MR HQ11 H 1 2.415 0.020 . 1 . 619 . . 1 2MR HQ11 . 18005 1
723 . 2 2 1 1 2MR HQ12 H 1 2.415 0.020 . 1 . 619 . . 1 2MR HQ12 . 18005 1
724 . 2 2 1 1 2MR HQ13 H 1 2.415 0.020 . 1 . 619 . . 1 2MR HQ13 . 18005 1
725 . 2 2 1 1 2MR HH2 H 1 6.307 0.020 . 1 . 620 . . 1 2MR HH2 . 18005 1
726 . 2 2 1 1 2MR HQ21 H 1 2.415 0.020 . 1 . 621 . . 1 2MR HQ21 . 18005 1
727 . 2 2 1 1 2MR HQ22 H 1 2.415 0.020 . 1 . 621 . . 1 2MR HQ22 . 18005 1
728 . 2 2 1 1 2MR HQ23 H 1 2.415 0.020 . 1 . 621 . . 1 2MR HQ23 . 18005 1
729 . 2 2 1 1 2MR HB3 H 1 1.897 0.011 . 1 . 639 . . 1 2MR HB2 . 18005 1
730 . 2 2 1 1 2MR HD3 H 1 2.991 0.039 . 1 . 640 . . 1 2MR HD2 . 18005 1
731 . 2 2 1 1 2MR HG3 H 1 1.653 0.017 . 1 . 641 . . 1 2MR HG2 . 18005 1
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