Content for NMR-STAR saveframe, "chem_shift_list_1"
save_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 6679
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
. . 1 $sample_1 isotropic 6679 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 4.273 0.065 . 1 . . . . 1 MET HA . 6679 1
2 . 1 1 1 1 MET HE1 H 1 1.95 0.016 . 1 . . . . 1 MET HE . 6679 1
3 . 1 1 1 1 MET HE2 H 1 1.95 0.016 . 1 . . . . 1 MET HE . 6679 1
4 . 1 1 1 1 MET HE3 H 1 1.95 0.016 . 1 . . . . 1 MET HE . 6679 1
5 . 1 1 1 1 MET C C 13 183.159 0 . 1 . . . . 1 MET C . 6679 1
6 . 1 1 1 1 MET CE C 13 13.774 0.055 . 1 . . . . 1 MET CE . 6679 1
7 . 1 1 2 2 TYR H H 1 8.364 0.026 . 1 . . . . 2 TYR HN . 6679 1
8 . 1 1 2 2 TYR HA H 1 5.278 0.028 . 1 . . . . 2 TYR HA . 6679 1
9 . 1 1 2 2 TYR HD1 H 1 7.101 0.027 . 1 . . . . 2 TYR HD1 . 6679 1
10 . 1 1 2 2 TYR HD2 H 1 7.101 0.027 . 1 . . . . 2 TYR HD2 . 6679 1
11 . 1 1 2 2 TYR HE1 H 1 6.903 0.004 . 1 . . . . 2 TYR HE1 . 6679 1
12 . 1 1 2 2 TYR HE2 H 1 6.903 0.004 . 1 . . . . 2 TYR HE2 . 6679 1
13 . 1 1 2 2 TYR C C 13 180.352 0 . 1 . . . . 2 TYR C . 6679 1
14 . 1 1 2 2 TYR CA C 13 53.921 0.114 . 1 . . . . 2 TYR CA . 6679 1
15 . 1 1 2 2 TYR CB C 13 39.873 0.007 . 1 . . . . 2 TYR CB . 6679 1
16 . 1 1 2 2 TYR CE1 C 13 114.873 0.074 . 1 . . . . 2 TYR CE# . 6679 1
17 . 1 1 2 2 TYR CE2 C 13 114.873 0.074 . 1 . . . . 2 TYR CE# . 6679 1
18 . 1 1 2 2 TYR N N 15 118.483 0.018 . 1 . . . . 2 TYR N . 6679 1
19 . 1 1 3 3 TYR H H 1 9.204 0.015 . 1 . . . . 3 TYR HN . 6679 1
20 . 1 1 3 3 TYR HA H 1 5.428 0.076 . 1 . . . . 3 TYR HA . 6679 1
21 . 1 1 3 3 TYR HB2 H 1 3.185 0.027 . 1 . . . . 3 TYR HB2 . 6679 1
22 . 1 1 3 3 TYR HB3 H 1 3.185 0.027 . 1 . . . . 3 TYR HB3 . 6679 1
23 . 1 1 3 3 TYR HD1 H 1 7.116 0.044 . 1 . . . . 3 TYR HD1 . 6679 1
24 . 1 1 3 3 TYR HD2 H 1 7.116 0.044 . 1 . . . . 3 TYR HD2 . 6679 1
25 . 1 1 3 3 TYR HE1 H 1 6.61 0.071 . 1 . . . . 3 TYR HE1 . 6679 1
26 . 1 1 3 3 TYR HE2 H 1 6.61 0.071 . 1 . . . . 3 TYR HE2 . 6679 1
27 . 1 1 3 3 TYR C C 13 178.903 0 . 1 . . . . 3 TYR C . 6679 1
28 . 1 1 3 3 TYR CA C 13 54.062 0.515 . 1 . . . . 3 TYR CA . 6679 1
29 . 1 1 3 3 TYR CB C 13 38.373 0.093 . 1 . . . . 3 TYR CB . 6679 1
30 . 1 1 3 3 TYR CD1 C 13 130.36 0.136 . 1 . . . . 3 TYR CD# . 6679 1
31 . 1 1 3 3 TYR CD2 C 13 130.36 0.136 . 1 . . . . 3 TYR CD# . 6679 1
32 . 1 1 3 3 TYR CE1 C 13 115.087 0.012 . 1 . . . . 3 TYR CE# . 6679 1
33 . 1 1 3 3 TYR CE2 C 13 115.087 0.012 . 1 . . . . 3 TYR CE# . 6679 1
34 . 1 1 3 3 TYR N N 15 118.997 0.129 . 1 . . . . 3 TYR N . 6679 1
35 . 1 1 4 4 LEU H H 1 8.416 0.023 . 1 . . . . 4 LEU HN . 6679 1
36 . 1 1 4 4 LEU HA H 1 5.11 0.036 . 1 . . . . 4 LEU HA . 6679 1
37 . 1 1 4 4 LEU HD11 H 1 0.719 0.034 . 1 . . . . 4 LEU HD1 . 6679 1
38 . 1 1 4 4 LEU HD12 H 1 0.719 0.034 . 1 . . . . 4 LEU HD1 . 6679 1
39 . 1 1 4 4 LEU HD13 H 1 0.719 0.034 . 1 . . . . 4 LEU HD1 . 6679 1
40 . 1 1 4 4 LEU C C 13 180.048 0 . 1 . . . . 4 LEU C . 6679 1
41 . 1 1 4 4 LEU CA C 13 50.157 0.234 . 1 . . . . 4 LEU CA . 6679 1
42 . 1 1 4 4 LEU N N 15 123.757 0.279 . 1 . . . . 4 LEU N . 6679 1
43 . 1 1 5 5 VAL H H 1 8.906 0.028 . 1 . . . . 5 VAL HN . 6679 1
44 . 1 1 5 5 VAL HA H 1 4.376 0.031 . 1 . . . . 5 VAL HA . 6679 1
45 . 1 1 5 5 VAL HB H 1 1.89 0.021 . 1 . . . . 5 VAL HB . 6679 1
46 . 1 1 5 5 VAL HG11 H 1 0.786 0.022 . 1 . . . . 5 VAL HG1 . 6679 1
47 . 1 1 5 5 VAL HG12 H 1 0.786 0.022 . 1 . . . . 5 VAL HG1 . 6679 1
48 . 1 1 5 5 VAL HG13 H 1 0.786 0.022 . 1 . . . . 5 VAL HG1 . 6679 1
49 . 1 1 5 5 VAL HG21 H 1 0.155 0.028 . 1 . . . . 5 VAL HG2 . 6679 1
50 . 1 1 5 5 VAL HG22 H 1 0.155 0.028 . 1 . . . . 5 VAL HG2 . 6679 1
51 . 1 1 5 5 VAL HG23 H 1 0.155 0.028 . 1 . . . . 5 VAL HG2 . 6679 1
52 . 1 1 5 5 VAL C C 13 181.335 0 . 1 . . . . 5 VAL C . 6679 1
53 . 1 1 5 5 VAL CA C 13 58.088 0.104 . 1 . . . . 5 VAL CA . 6679 1
54 . 1 1 5 5 VAL CB C 13 31.416 0.14 . 1 . . . . 5 VAL CB . 6679 1
55 . 1 1 5 5 VAL CG2 C 13 20.419 0.057 . 1 . . . . 5 VAL CG2 . 6679 1
56 . 1 1 5 5 VAL N N 15 127.145 0.039 . 1 . . . . 5 VAL N . 6679 1
57 . 1 1 6 6 VAL H H 1 8.999 0.009 . 1 . . . . 6 VAL HN . 6679 1
58 . 1 1 6 6 VAL HA H 1 4.612 0.038 . 1 . . . . 6 VAL HA . 6679 1
59 . 1 1 6 6 VAL HB H 1 1.652 0.137 . 1 . . . . 6 VAL HB . 6679 1
60 . 1 1 6 6 VAL HG11 H 1 0.798 0.045 . 1 . . . . 6 VAL HG1 . 6679 1
61 . 1 1 6 6 VAL HG12 H 1 0.798 0.045 . 1 . . . . 6 VAL HG1 . 6679 1
62 . 1 1 6 6 VAL HG13 H 1 0.798 0.045 . 1 . . . . 6 VAL HG1 . 6679 1
63 . 1 1 6 6 VAL HG21 H 1 0.664 0.05 . 1 . . . . 6 VAL HG2 . 6679 1
64 . 1 1 6 6 VAL HG22 H 1 0.664 0.05 . 1 . . . . 6 VAL HG2 . 6679 1
65 . 1 1 6 6 VAL HG23 H 1 0.664 0.05 . 1 . . . . 6 VAL HG2 . 6679 1
66 . 1 1 6 6 VAL C C 13 180.025 0 . 1 . . . . 6 VAL C . 6679 1
67 . 1 1 6 6 VAL CA C 13 57.122 0.515 . 1 . . . . 6 VAL CA . 6679 1
68 . 1 1 6 6 VAL CB C 13 29.852 0.047 . 1 . . . . 6 VAL CB . 6679 1
69 . 1 1 6 6 VAL CG1 C 13 23.054 0.701 . 1 . . . . 6 VAL CG1 . 6679 1
70 . 1 1 6 6 VAL CG2 C 13 19.931 0 . 1 . . . . 6 VAL CG2 . 6679 1
71 . 1 1 6 6 VAL N N 15 125.089 0.07 . 1 . . . . 6 VAL N . 6679 1
72 . 1 1 7 7 ASN H H 1 9.07 0.033 . 1 . . . . 7 ASN HN . 6679 1
73 . 1 1 7 7 ASN HA H 1 4.633 0.017 . 1 . . . . 7 ASN HA . 6679 1
74 . 1 1 7 7 ASN HB2 H 1 2.578 0.006 . 2 . . . . 7 ASN HB2 . 6679 1
75 . 1 1 7 7 ASN HB3 H 1 2.411 0.038 . 2 . . . . 7 ASN HB3 . 6679 1
76 . 1 1 7 7 ASN HD21 H 1 6.899 0.029 . 2 . . . . 7 ASN HD21 . 6679 1
77 . 1 1 7 7 ASN HD22 H 1 6.543 0.017 . 2 . . . . 7 ASN HD22 . 6679 1
78 . 1 1 7 7 ASN C C 13 179.838 0 . 1 . . . . 7 ASN C . 6679 1
79 . 1 1 7 7 ASN N N 15 126.29 0.05 . 1 . . . . 7 ASN N . 6679 1
80 . 1 1 7 7 ASN ND2 N 15 109.672 0.008 . 1 . . . . 7 ASN ND2 . 6679 1
81 . 1 1 8 8 LYS H H 1 8.973 0.016 . 1 . . . . 8 LYS HN . 6679 1
82 . 1 1 8 8 LYS HA H 1 4.225 0.026 . 1 . . . . 8 LYS HA . 6679 1
83 . 1 1 8 8 LYS HG2 H 1 2.242 0.01 . 1 . . . . 8 LYS HG2 . 6679 1
84 . 1 1 8 8 LYS HG3 H 1 2.242 0.01 . 1 . . . . 8 LYS HG3 . 6679 1
85 . 1 1 8 8 LYS C C 13 178.622 0 . 1 . . . . 8 LYS C . 6679 1
86 . 1 1 8 8 LYS CA C 13 52.681 0.201 . 1 . . . . 8 LYS CA . 6679 1
87 . 1 1 8 8 LYS CB C 13 26.347 0.133 . 1 . . . . 8 LYS CB . 6679 1
88 . 1 1 8 8 LYS CG C 13 26.21 0.04 . 1 . . . . 8 LYS CG . 6679 1
89 . 1 1 8 8 LYS CD C 13 30.47 0 . 1 . . . . 8 LYS CD . 6679 1
90 . 1 1 8 8 LYS N N 15 122.957 0.084 . 1 . . . . 8 LYS N . 6679 1
91 . 1 1 9 9 GLY H H 1 8.394 0.025 . 1 . . . . 9 GLY HN . 6679 1
92 . 1 1 9 9 GLY HA2 H 1 3.825 0.05 . 2 . . . . 9 GLY HA2 . 6679 1
93 . 1 1 9 9 GLY HA3 H 1 3.724 0.067 . 2 . . . . 9 GLY HA3 . 6679 1
94 . 1 1 9 9 GLY CA C 13 42.032 0.194 . 1 . . . . 9 GLY CA . 6679 1
95 . 1 1 9 9 GLY N N 15 110.391 0.103 . 1 . . . . 9 GLY N . 6679 1
96 . 1 1 10 10 GLN HA H 1 4.691 0.029 . 1 . . . . 10 GLN HA . 6679 1
97 . 1 1 10 10 GLN C C 13 180.493 0 . 1 . . . . 10 GLN C . 6679 1
98 . 1 1 11 11 ASN H H 1 8.482 0.026 . 1 . . . . 11 ASN HN . 6679 1
99 . 1 1 11 11 ASN HA H 1 5.283 0.006 . 1 . . . . 11 ASN HA . 6679 1
100 . 1 1 11 11 ASN HB2 H 1 2.974 0.027 . 2 . . . . 11 ASN HB2 . 6679 1
101 . 1 1 11 11 ASN HB3 H 1 2.864 0.027 . 2 . . . . 11 ASN HB3 . 6679 1
102 . 1 1 11 11 ASN C C 13 180.119 0 . 1 . . . . 11 ASN C . 6679 1
103 . 1 1 11 11 ASN CA C 13 49.118 0.317 . 1 . . . . 11 ASN CA . 6679 1
104 . 1 1 11 11 ASN CB C 13 36.118 0.296 . 1 . . . . 11 ASN CB . 6679 1
105 . 1 1 11 11 ASN N N 15 121.475 0.077 . 1 . . . . 11 ASN N . 6679 1
106 . 1 1 12 12 ALA H H 1 8.286 0.039 . 1 . . . . 12 ALA HN . 6679 1
107 . 1 1 12 12 ALA HA H 1 4.166 0.033 . 1 . . . . 12 ALA HA . 6679 1
108 . 1 1 12 12 ALA HB1 H 1 1.195 0.022 . 1 . . . . 12 ALA HB . 6679 1
109 . 1 1 12 12 ALA HB2 H 1 1.195 0.022 . 1 . . . . 12 ALA HB . 6679 1
110 . 1 1 12 12 ALA HB3 H 1 1.195 0.022 . 1 . . . . 12 ALA HB . 6679 1
111 . 1 1 12 12 ALA C C 13 179.511 0 . 1 . . . . 12 ALA C . 6679 1
112 . 1 1 12 12 ALA CA C 13 49.51 0.23 . 1 . . . . 12 ALA CA . 6679 1
113 . 1 1 12 12 ALA CB C 13 15.972 0.211 . 1 . . . . 12 ALA CB . 6679 1
114 . 1 1 12 12 ALA N N 15 124.28 0.157 . 1 . . . . 12 ALA N . 6679 1
115 . 1 1 13 13 PHE H H 1 8.12 0.031 . 1 . . . . 13 PHE HN . 6679 1
116 . 1 1 13 13 PHE HA H 1 4.509 0.014 . 1 . . . . 13 PHE HA . 6679 1
117 . 1 1 13 13 PHE HB2 H 1 2.916 0.011 . 1 . . . . 13 PHE HB2 . 6679 1
118 . 1 1 13 13 PHE HB3 H 1 2.916 0.011 . 1 . . . . 13 PHE HB3 . 6679 1
119 . 1 1 13 13 PHE HD1 H 1 7.207 0.044 . 1 . . . . 13 PHE HD1 . 6679 1
120 . 1 1 13 13 PHE HD2 H 1 7.207 0.044 . 1 . . . . 13 PHE HD2 . 6679 1
121 . 1 1 13 13 PHE HE1 H 1 7.251 0.03 . 1 . . . . 13 PHE HE1 . 6679 1
122 . 1 1 13 13 PHE HE2 H 1 7.251 0.03 . 1 . . . . 13 PHE HE2 . 6679 1
123 . 1 1 13 13 PHE HZ H 1 7.045 0.007 . 1 . . . . 13 PHE HZ . 6679 1
124 . 1 1 13 13 PHE C C 13 183.767 0 . 1 . . . . 13 PHE C . 6679 1
125 . 1 1 13 13 PHE CA C 13 54.413 0.192 . 1 . . . . 13 PHE CA . 6679 1
126 . 1 1 13 13 PHE CB C 13 36.491 0.249 . 1 . . . . 13 PHE CB . 6679 1
127 . 1 1 13 13 PHE CD1 C 13 127.043 0.256 . 1 . . . . 13 PHE CD# . 6679 1
128 . 1 1 13 13 PHE CD2 C 13 127.043 0.256 . 1 . . . . 13 PHE CD# . 6679 1
129 . 1 1 13 13 PHE CE1 C 13 128.553 0 . 1 . . . . 13 PHE CE# . 6679 1
130 . 1 1 13 13 PHE CE2 C 13 128.553 0 . 1 . . . . 13 PHE CE# . 6679 1
131 . 1 1 13 13 PHE CZ C 13 124.207 0.065 . 1 . . . . 13 PHE CZ . 6679 1
132 . 1 1 13 13 PHE N N 15 119.198 0.258 . 1 . . . . 13 PHE N . 6679 1
133 . 1 1 14 14 TYR H H 1 8.801 0.009 . 1 . . . . 14 TYR HN . 6679 1
134 . 1 1 14 14 TYR HA H 1 4.876 0.152 . 1 . . . . 14 TYR HA . 6679 1
135 . 1 1 14 14 TYR HB2 H 1 3.15 0 . 1 . . . . 14 TYR HB2 . 6679 1
136 . 1 1 14 14 TYR HB3 H 1 3.15 0 . 1 . . . . 14 TYR HB3 . 6679 1
137 . 1 1 14 14 TYR HD1 H 1 7.145 0.037 . 1 . . . . 14 TYR HD1 . 6679 1
138 . 1 1 14 14 TYR HD2 H 1 7.145 0.037 . 1 . . . . 14 TYR HD2 . 6679 1
139 . 1 1 14 14 TYR HE1 H 1 6.579 0.037 . 1 . . . . 14 TYR HE1 . 6679 1
140 . 1 1 14 14 TYR HE2 H 1 6.579 0.037 . 1 . . . . 14 TYR HE2 . 6679 1
141 . 1 1 14 14 TYR CA C 13 51.319 0.32 . 1 . . . . 14 TYR CA . 6679 1
142 . 1 1 14 14 TYR CB C 13 38.223 0 . 1 . . . . 14 TYR CB . 6679 1
143 . 1 1 14 14 TYR CD1 C 13 131.108 0.078 . 1 . . . . 14 TYR CD# . 6679 1
144 . 1 1 14 14 TYR CD2 C 13 131.108 0.078 . 1 . . . . 14 TYR CD# . 6679 1
145 . 1 1 14 14 TYR CE1 C 13 114.76 0.079 . 1 . . . . 14 TYR CE# . 6679 1
146 . 1 1 14 14 TYR CE2 C 13 114.76 0.079 . 1 . . . . 14 TYR CE# . 6679 1
147 . 1 1 14 14 TYR N N 15 121.529 0.109 . 1 . . . . 14 TYR N . 6679 1
148 . 1 1 15 15 GLU H H 1 8.292 0.065 . 1 . . . . 15 GLU HN . 6679 1
149 . 1 1 15 15 GLU HA H 1 4.625 0.031 . 1 . . . . 15 GLU HA . 6679 1
150 . 1 1 15 15 GLU HB2 H 1 1.87 0.018 . 1 . . . . 15 GLU HB2 . 6679 1
151 . 1 1 15 15 GLU HB3 H 1 1.87 0.018 . 1 . . . . 15 GLU HB3 . 6679 1
152 . 1 1 15 15 GLU HG2 H 1 2.287 0.057 . 1 . . . . 15 GLU HG2 . 6679 1
153 . 1 1 15 15 GLU HG3 H 1 2.287 0.057 . 1 . . . . 15 GLU HG3 . 6679 1
154 . 1 1 15 15 GLU C C 13 179.604 0 . 1 . . . . 15 GLU C . 6679 1
155 . 1 1 15 15 GLU CA C 13 51.145 0.292 . 1 . . . . 15 GLU CA . 6679 1
156 . 1 1 15 15 GLU CB C 13 25.71 0.143 . 1 . . . . 15 GLU CB . 6679 1
157 . 1 1 15 15 GLU CG C 13 30.566 0.12 . 1 . . . . 15 GLU CG . 6679 1
158 . 1 1 15 15 GLU N N 15 119.552 0 . 1 . . . . 15 GLU N . 6679 1
159 . 1 1 16 16 THR H H 1 9.011 0.022 . 1 . . . . 16 THR HN . 6679 1
160 . 1 1 16 16 THR HA H 1 4.998 0.098 . 1 . . . . 16 THR HA . 6679 1
161 . 1 1 16 16 THR HB H 1 4.101 0.03 . 1 . . . . 16 THR HB . 6679 1
162 . 1 1 16 16 THR HG21 H 1 0.58 0.024 . 1 . . . . 16 THR HG2 . 6679 1
163 . 1 1 16 16 THR HG22 H 1 0.58 0.024 . 1 . . . . 16 THR HG2 . 6679 1
164 . 1 1 16 16 THR HG23 H 1 0.58 0.024 . 1 . . . . 16 THR HG2 . 6679 1
165 . 1 1 16 16 THR C C 13 180.446 0 . 1 . . . . 16 THR C . 6679 1
166 . 1 1 16 16 THR CA C 13 58.593 0.399 . 1 . . . . 16 THR CA . 6679 1
167 . 1 1 16 16 THR CB C 13 66.218 0.383 . 1 . . . . 16 THR CB . 6679 1
168 . 1 1 16 16 THR CG2 C 13 17.694 0.07 . 1 . . . . 16 THR CG2 . 6679 1
169 . 1 1 16 16 THR N N 15 114.516 0.041 . 1 . . . . 16 THR N . 6679 1
170 . 1 1 17 17 LEU H H 1 8.592 0.029 . 1 . . . . 17 LEU HN . 6679 1
171 . 1 1 17 17 LEU HA H 1 4.495 0.024 . 1 . . . . 17 LEU HA . 6679 1
172 . 1 1 17 17 LEU HB2 H 1 1.869 0.024 . 1 . . . . 17 LEU HB2 . 6679 1
173 . 1 1 17 17 LEU HB3 H 1 1.869 0.024 . 1 . . . . 17 LEU HB3 . 6679 1
174 . 1 1 17 17 LEU HD11 H 1 1.091 0.032 . 1 . . . . 17 LEU HD1 . 6679 1
175 . 1 1 17 17 LEU HD12 H 1 1.091 0.032 . 1 . . . . 17 LEU HD1 . 6679 1
176 . 1 1 17 17 LEU HD13 H 1 1.091 0.032 . 1 . . . . 17 LEU HD1 . 6679 1
177 . 1 1 17 17 LEU HD21 H 1 0.741 0.018 . 1 . . . . 17 LEU HD2 . 6679 1
178 . 1 1 17 17 LEU HD22 H 1 0.741 0.018 . 1 . . . . 17 LEU HD2 . 6679 1
179 . 1 1 17 17 LEU HD23 H 1 0.741 0.018 . 1 . . . . 17 LEU HD2 . 6679 1
180 . 1 1 17 17 LEU CA C 13 50.621 0.517 . 1 . . . . 17 LEU CA . 6679 1
181 . 1 1 17 17 LEU CB C 13 41.628 0.215 . 1 . . . . 17 LEU CB . 6679 1
182 . 1 1 17 17 LEU CD1 C 13 24.159 0.334 . 1 . . . . 17 LEU CD1 . 6679 1
183 . 1 1 17 17 LEU CD2 C 13 23.175 0 . 1 . . . . 17 LEU CD2 . 6679 1
184 . 1 1 17 17 LEU N N 15 114.131 0.02 . 1 . . . . 17 LEU N . 6679 1
185 . 1 1 18 18 THR H H 1 9.031 0.014 . 1 . . . . 18 THR HN . 6679 1
186 . 1 1 18 18 THR HA H 1 3.98 0.031 . 1 . . . . 18 THR HA . 6679 1
187 . 1 1 18 18 THR HB H 1 4.009 0.02 . 1 . . . . 18 THR HB . 6679 1
188 . 1 1 18 18 THR HG21 H 1 1.067 0.036 . 1 . . . . 18 THR HG2 . 6679 1
189 . 1 1 18 18 THR HG22 H 1 1.067 0.036 . 1 . . . . 18 THR HG2 . 6679 1
190 . 1 1 18 18 THR HG23 H 1 1.067 0.036 . 1 . . . . 18 THR HG2 . 6679 1
191 . 1 1 18 18 THR C C 13 181.241 0 . 1 . . . . 18 THR C . 6679 1
192 . 1 1 18 18 THR CA C 13 58.675 0.388 . 1 . . . . 18 THR CA . 6679 1
193 . 1 1 18 18 THR CB C 13 67.176 0.577 . 1 . . . . 18 THR CB . 6679 1
194 . 1 1 18 18 THR CG2 C 13 18.227 0.085 . 1 . . . . 18 THR CG2 . 6679 1
195 . 1 1 18 18 THR N N 15 116.487 0.064 . 1 . . . . 18 THR N . 6679 1
196 . 1 1 19 19 LYS H H 1 8.283 0.056 . 1 . . . . 19 LYS HN . 6679 1
197 . 1 1 19 19 LYS HA H 1 4.283 0.039 . 1 . . . . 19 LYS HA . 6679 1
198 . 1 1 19 19 LYS HB2 H 1 1.978 0.064 . 1 . . . . 19 LYS HB2 . 6679 1
199 . 1 1 19 19 LYS HB3 H 1 1.978 0.064 . 1 . . . . 19 LYS HB3 . 6679 1
200 . 1 1 19 19 LYS HD3 H 1 1.722 0 . 2 . . . . 19 LYS HD3 . 6679 1
201 . 1 1 19 19 LYS HE2 H 1 2.679 0.012 . 2 . . . . 19 LYS HE2 . 6679 1
202 . 1 1 19 19 LYS C C 13 178.856 0 . 1 . . . . 19 LYS C . 6679 1
203 . 1 1 19 19 LYS CA C 13 59.015 0.332 . 1 . . . . 19 LYS CA . 6679 1
204 . 1 1 19 19 LYS CB C 13 29.532 0.19 . 1 . . . . 19 LYS CB . 6679 1
205 . 1 1 19 19 LYS CD C 13 37.689 0 . 1 . . . . 19 LYS CD . 6679 1
206 . 1 1 19 19 LYS CE C 13 51.148 0 . 1 . . . . 19 LYS CE . 6679 1
207 . 1 1 19 19 LYS N N 15 124.018 0.105 . 1 . . . . 19 LYS N . 6679 1
208 . 1 1 20 20 ALA H H 1 8.382 0.035 . 1 . . . . 20 ALA HN . 6679 1
209 . 1 1 20 20 ALA HA H 1 4.469 0.038 . 1 . . . . 20 ALA HA . 6679 1
210 . 1 1 20 20 ALA HB1 H 1 1.192 0.021 . 1 . . . . 20 ALA HB . 6679 1
211 . 1 1 20 20 ALA HB2 H 1 1.192 0.021 . 1 . . . . 20 ALA HB . 6679 1
212 . 1 1 20 20 ALA HB3 H 1 1.192 0.021 . 1 . . . . 20 ALA HB . 6679 1
213 . 1 1 20 20 ALA C C 13 177.78 0 . 1 . . . . 20 ALA C . 6679 1
214 . 1 1 20 20 ALA CA C 13 48.79 0.23 . 1 . . . . 20 ALA CA . 6679 1
215 . 1 1 20 20 ALA CB C 13 19.063 0.318 . 1 . . . . 20 ALA CB . 6679 1
216 . 1 1 20 20 ALA N N 15 124.644 0.261 . 1 . . . . 20 ALA N . 6679 1
217 . 1 1 21 21 VAL H H 1 8.306 0.019 . 1 . . . . 21 VAL HN . 6679 1
218 . 1 1 21 21 VAL HA H 1 4.444 0.032 . 1 . . . . 21 VAL HA . 6679 1
219 . 1 1 21 21 VAL HB H 1 2.208 0.043 . 1 . . . . 21 VAL HB . 6679 1
220 . 1 1 21 21 VAL HG11 H 1 1.161 0.08 . 1 . . . . 21 VAL HG1 . 6679 1
221 . 1 1 21 21 VAL HG12 H 1 1.161 0.08 . 1 . . . . 21 VAL HG1 . 6679 1
222 . 1 1 21 21 VAL HG13 H 1 1.161 0.08 . 1 . . . . 21 VAL HG1 . 6679 1
223 . 1 1 21 21 VAL HG21 H 1 0.864 0.031 . 1 . . . . 21 VAL HG2 . 6679 1
224 . 1 1 21 21 VAL HG22 H 1 0.864 0.031 . 1 . . . . 21 VAL HG2 . 6679 1
225 . 1 1 21 21 VAL HG23 H 1 0.864 0.031 . 1 . . . . 21 VAL HG2 . 6679 1
226 . 1 1 21 21 VAL C C 13 180.025 0 . 1 . . . . 21 VAL C . 6679 1
227 . 1 1 21 21 VAL CA C 13 59.957 0.271 . 1 . . . . 21 VAL CA . 6679 1
228 . 1 1 21 21 VAL CB C 13 28.806 0.26 . 1 . . . . 21 VAL CB . 6679 1
229 . 1 1 21 21 VAL CG2 C 13 21.739 0.061 . 1 . . . . 21 VAL CG2 . 6679 1
230 . 1 1 21 21 VAL N N 15 114.104 0.137 . 1 . . . . 21 VAL N . 6679 1
231 . 1 1 22 22 ASP H H 1 7.251 0.042 . 1 . . . . 22 ASP HN . 6679 1
232 . 1 1 22 22 ASP HA H 1 4.755 0.079 . 1 . . . . 22 ASP HA . 6679 1
233 . 1 1 22 22 ASP HB2 H 1 2.861 0.019 . 1 . . . . 22 ASP HB2 . 6679 1
234 . 1 1 22 22 ASP HB3 H 1 2.861 0.019 . 1 . . . . 22 ASP HB3 . 6679 1
235 . 1 1 22 22 ASP CA C 13 49.121 0.213 . 1 . . . . 22 ASP CA . 6679 1
236 . 1 1 22 22 ASP CB C 13 39.157 0.285 . 1 . . . . 22 ASP CB . 6679 1
237 . 1 1 22 22 ASP N N 15 115.881 0.139 . 1 . . . . 22 ASP N . 6679 1
238 . 1 1 23 23 ALA H H 1 8.326 0.056 . 1 . . . . 23 ALA HN . 6679 1
239 . 1 1 23 23 ALA HA H 1 3.072 0.058 . 1 . . . . 23 ALA HA . 6679 1
240 . 1 1 23 23 ALA HB1 H 1 1.156 0.032 . 1 . . . . 23 ALA HB . 6679 1
241 . 1 1 23 23 ALA HB2 H 1 1.156 0.032 . 1 . . . . 23 ALA HB . 6679 1
242 . 1 1 23 23 ALA HB3 H 1 1.156 0.032 . 1 . . . . 23 ALA HB . 6679 1
243 . 1 1 23 23 ALA C C 13 175.629 0 . 1 . . . . 23 ALA C . 6679 1
244 . 1 1 23 23 ALA CA C 13 51.714 0.054 . 1 . . . . 23 ALA CA . 6679 1
245 . 1 1 23 23 ALA CB C 13 14.75 0.341 . 1 . . . . 23 ALA CB . 6679 1
246 . 1 1 23 23 ALA N N 15 127.104 0.081 . 1 . . . . 23 ALA N . 6679 1
247 . 1 1 24 24 GLU H H 1 8.204 0.011 . 1 . . . . 24 GLU HN . 6679 1
248 . 1 1 24 24 GLU HA H 1 3.888 0.024 . 1 . . . . 24 GLU HA . 6679 1
249 . 1 1 24 24 GLU HB2 H 1 1.867 0.014 . 2 . . . . 24 GLU HB2 . 6679 1
250 . 1 1 24 24 GLU HB3 H 1 1.775 0.055 . 2 . . . . 24 GLU HB3 . 6679 1
251 . 1 1 24 24 GLU HG2 H 1 2.11 0.021 . 1 . . . . 24 GLU HG2 . 6679 1
252 . 1 1 24 24 GLU HG3 H 1 2.11 0.021 . 1 . . . . 24 GLU HG3 . 6679 1
253 . 1 1 24 24 GLU C C 13 177.733 0 . 1 . . . . 24 GLU C . 6679 1
254 . 1 1 24 24 GLU CA C 13 55.539 0.162 . 1 . . . . 24 GLU CA . 6679 1
255 . 1 1 24 24 GLU CB C 13 25.788 0.175 . 1 . . . . 24 GLU CB . 6679 1
256 . 1 1 24 24 GLU CG C 13 32.583 0.139 . 1 . . . . 24 GLU CG . 6679 1
257 . 1 1 24 24 GLU N N 15 118.902 0.099 . 1 . . . . 24 GLU N . 6679 1
258 . 1 1 25 25 THR H H 1 8.392 0.052 . 1 . . . . 25 THR HN . 6679 1
259 . 1 1 25 25 THR HA H 1 3.722 0.027 . 1 . . . . 25 THR HA . 6679 1
260 . 1 1 25 25 THR HB H 1 3.807 0.061 . 1 . . . . 25 THR HB . 6679 1
261 . 1 1 25 25 THR HG21 H 1 1.151 0.021 . 1 . . . . 25 THR HG2 . 6679 1
262 . 1 1 25 25 THR HG22 H 1 1.151 0.021 . 1 . . . . 25 THR HG2 . 6679 1
263 . 1 1 25 25 THR HG23 H 1 1.151 0.021 . 1 . . . . 25 THR HG2 . 6679 1
264 . 1 1 25 25 THR C C 13 177.313 0 . 1 . . . . 25 THR C . 6679 1
265 . 1 1 25 25 THR CA C 13 63.498 0.298 . 1 . . . . 25 THR CA . 6679 1
266 . 1 1 25 25 THR CB C 13 66.165 0.036 . 1 . . . . 25 THR CB . 6679 1
267 . 1 1 25 25 THR CG2 C 13 18.356 0.157 . 1 . . . . 25 THR CG2 . 6679 1
268 . 1 1 25 25 THR N N 15 117.687 0.159 . 1 . . . . 25 THR N . 6679 1
269 . 1 1 26 26 ALA H H 1 7.374 0.016 . 1 . . . . 26 ALA HN . 6679 1
270 . 1 1 26 26 ALA HA H 1 3.2 0.036 . 1 . . . . 26 ALA HA . 6679 1
271 . 1 1 26 26 ALA HB1 H 1 0.661 0.018 . 1 . . . . 26 ALA HB . 6679 1
272 . 1 1 26 26 ALA HB2 H 1 0.661 0.018 . 1 . . . . 26 ALA HB . 6679 1
273 . 1 1 26 26 ALA HB3 H 1 0.661 0.018 . 1 . . . . 26 ALA HB . 6679 1
274 . 1 1 26 26 ALA C C 13 176.424 0 . 1 . . . . 26 ALA C . 6679 1
275 . 1 1 26 26 ALA CA C 13 51.603 0.063 . 1 . . . . 26 ALA CA . 6679 1
276 . 1 1 26 26 ALA CB C 13 14.93 0.148 . 1 . . . . 26 ALA CB . 6679 1
277 . 1 1 26 26 ALA N N 15 124.72 0.017 . 1 . . . . 26 ALA N . 6679 1
278 . 1 1 27 27 ARG H H 1 8.317 0.037 . 1 . . . . 27 ARG HN . 6679 1
279 . 1 1 27 27 ARG HA H 1 2.83 0.039 . 1 . . . . 27 ARG HA . 6679 1
280 . 1 1 27 27 ARG HB2 H 1 1.609 0.045 . 1 . . . . 27 ARG HB2 . 6679 1
281 . 1 1 27 27 ARG HB3 H 1 1.609 0.045 . 1 . . . . 27 ARG HB3 . 6679 1
282 . 1 1 27 27 ARG HG2 H 1 1.566 0.016 . 1 . . . . 27 ARG HG2 . 6679 1
283 . 1 1 27 27 ARG HG3 H 1 1.566 0.016 . 1 . . . . 27 ARG HG3 . 6679 1
284 . 1 1 27 27 ARG HD2 H 1 3.173 0.201 . 2 . . . . 27 ARG HD2 . 6679 1
285 . 1 1 27 27 ARG HD3 H 1 3.09 0.078 . 2 . . . . 27 ARG HD3 . 6679 1
286 . 1 1 27 27 ARG C C 13 177.172 0 . 1 . . . . 27 ARG C . 6679 1
287 . 1 1 27 27 ARG CA C 13 56.619 0.116 . 1 . . . . 27 ARG CA . 6679 1
288 . 1 1 27 27 ARG CB C 13 26.587 0.166 . 1 . . . . 27 ARG CB . 6679 1
289 . 1 1 27 27 ARG CG C 13 23.852 0.143 . 1 . . . . 27 ARG CG . 6679 1
290 . 1 1 27 27 ARG CD C 13 39.655 0.516 . 1 . . . . 27 ARG CD . 6679 1
291 . 1 1 27 27 ARG N N 15 117.477 0.251 . 1 . . . . 27 ARG N . 6679 1
292 . 1 1 28 28 ASN H H 1 7.62 0.016 . 1 . . . . 28 ASN HN . 6679 1
293 . 1 1 28 28 ASN HA H 1 4.131 0.019 . 1 . . . . 28 ASN HA . 6679 1
294 . 1 1 28 28 ASN HB2 H 1 2.562 0.015 . 1 . . . . 28 ASN HB2 . 6679 1
295 . 1 1 28 28 ASN HB3 H 1 2.562 0.015 . 1 . . . . 28 ASN HB3 . 6679 1
296 . 1 1 28 28 ASN HD21 H 1 7.771 0.013 . 2 . . . . 28 ASN HD21 . 6679 1
297 . 1 1 28 28 ASN HD22 H 1 7.059 0.017 . 2 . . . . 28 ASN HD22 . 6679 1
298 . 1 1 28 28 ASN C C 13 177.125 0 . 1 . . . . 28 ASN C . 6679 1
299 . 1 1 28 28 ASN CA C 13 53.047 0.339 . 1 . . . . 28 ASN CA . 6679 1
300 . 1 1 28 28 ASN CB C 13 34.668 0.116 . 1 . . . . 28 ASN CB . 6679 1
301 . 1 1 28 28 ASN N N 15 114.557 0.123 . 1 . . . . 28 ASN N . 6679 1
302 . 1 1 28 28 ASN ND2 N 15 114.54 0 . 1 . . . . 28 ASN ND2 . 6679 1
303 . 1 1 29 29 ALA H H 1 7.524 0.022 . 1 . . . . 29 ALA HN . 6679 1
304 . 1 1 29 29 ALA HA H 1 4.048 0.021 . 1 . . . . 29 ALA HA . 6679 1
305 . 1 1 29 29 ALA HB1 H 1 1.17 0.014 . 1 . . . . 29 ALA HB . 6679 1
306 . 1 1 29 29 ALA HB2 H 1 1.17 0.014 . 1 . . . . 29 ALA HB . 6679 1
307 . 1 1 29 29 ALA HB3 H 1 1.17 0.014 . 1 . . . . 29 ALA HB . 6679 1
308 . 1 1 29 29 ALA C C 13 173.805 0 . 1 . . . . 29 ALA C . 6679 1
309 . 1 1 29 29 ALA CA C 13 51.775 0.126 . 1 . . . . 29 ALA CA . 6679 1
310 . 1 1 29 29 ALA CB C 13 14.252 0.126 . 1 . . . . 29 ALA CB . 6679 1
311 . 1 1 29 29 ALA N N 15 124.231 0.085 . 1 . . . . 29 ALA N . 6679 1
312 . 1 1 30 30 PHE H H 1 8.425 0.027 . 1 . . . . 30 PHE HN . 6679 1
313 . 1 1 30 30 PHE HA H 1 4.13 0.043 . 1 . . . . 30 PHE HA . 6679 1
314 . 1 1 30 30 PHE HB2 H 1 3.183 0.046 . 1 . . . . 30 PHE HB2 . 6679 1
315 . 1 1 30 30 PHE HB3 H 1 3.183 0.046 . 1 . . . . 30 PHE HB3 . 6679 1
316 . 1 1 30 30 PHE HD1 H 1 6.703 0.015 . 1 . . . . 30 PHE HD1 . 6679 1
317 . 1 1 30 30 PHE HD2 H 1 6.703 0.015 . 1 . . . . 30 PHE HD2 . 6679 1
318 . 1 1 30 30 PHE HE1 H 1 7.081 0.023 . 1 . . . . 30 PHE HE1 . 6679 1
319 . 1 1 30 30 PHE HE2 H 1 7.081 0.023 . 1 . . . . 30 PHE HE2 . 6679 1
320 . 1 1 30 30 PHE HZ H 1 6.952 0.064 . 1 . . . . 30 PHE HZ . 6679 1
321 . 1 1 30 30 PHE C C 13 176.424 0 . 1 . . . . 30 PHE C . 6679 1
322 . 1 1 30 30 PHE CA C 13 54.49 0.482 . 1 . . . . 30 PHE CA . 6679 1
323 . 1 1 30 30 PHE CB C 13 36.768 1.583 . 1 . . . . 30 PHE CB . 6679 1
324 . 1 1 30 30 PHE CD1 C 13 129.322 0.046 . 1 . . . . 30 PHE CD# . 6679 1
325 . 1 1 30 30 PHE CD2 C 13 129.322 0.046 . 1 . . . . 30 PHE CD# . 6679 1
326 . 1 1 30 30 PHE CE1 C 13 128.632 0.218 . 1 . . . . 30 PHE CE# . 6679 1
327 . 1 1 30 30 PHE CE2 C 13 128.632 0.218 . 1 . . . . 30 PHE CE# . 6679 1
328 . 1 1 30 30 PHE CZ C 13 119.158 0.25 . 1 . . . . 30 PHE CZ . 6679 1
329 . 1 1 30 30 PHE N N 15 119.892 0.112 . 1 . . . . 30 PHE N . 6679 1
330 . 1 1 31 31 ILE H H 1 9.076 0.022 . 1 . . . . 31 ILE HN . 6679 1
331 . 1 1 31 31 ILE HA H 1 3.777 0.023 . 1 . . . . 31 ILE HA . 6679 1
332 . 1 1 31 31 ILE HB H 1 1.696 0.013 . 1 . . . . 31 ILE HB . 6679 1
333 . 1 1 31 31 ILE HG12 H 1 1.281 0.02 . 2 . . . . 31 ILE HG12 . 6679 1
334 . 1 1 31 31 ILE HG13 H 1 0.377 0.057 . 2 . . . . 31 ILE HG13 . 6679 1
335 . 1 1 31 31 ILE HG21 H 1 0.739 0.025 . 1 . . . . 31 ILE HG2 . 6679 1
336 . 1 1 31 31 ILE HG22 H 1 0.739 0.025 . 1 . . . . 31 ILE HG2 . 6679 1
337 . 1 1 31 31 ILE HG23 H 1 0.739 0.025 . 1 . . . . 31 ILE HG2 . 6679 1
338 . 1 1 31 31 ILE HD11 H 1 0.294 0.016 . 1 . . . . 31 ILE HD1 . 6679 1
339 . 1 1 31 31 ILE HD12 H 1 0.294 0.016 . 1 . . . . 31 ILE HD1 . 6679 1
340 . 1 1 31 31 ILE HD13 H 1 0.294 0.016 . 1 . . . . 31 ILE HD1 . 6679 1
341 . 1 1 31 31 ILE C C 13 175.582 0 . 1 . . . . 31 ILE C . 6679 1
342 . 1 1 31 31 ILE CA C 13 62.527 0.13 . 1 . . . . 31 ILE CA . 6679 1
343 . 1 1 31 31 ILE CB C 13 34.839 0.119 . 1 . . . . 31 ILE CB . 6679 1
344 . 1 1 31 31 ILE CG1 C 13 26.661 0.092 . 1 . . . . 31 ILE CG1 . 6679 1
345 . 1 1 31 31 ILE CG2 C 13 13.575 0.048 . 1 . . . . 31 ILE CG2 . 6679 1
346 . 1 1 31 31 ILE CD1 C 13 10.582 0.041 . 1 . . . . 31 ILE CD1 . 6679 1
347 . 1 1 31 31 ILE N N 15 121.88 0.113 . 1 . . . . 31 ILE N . 6679 1
348 . 1 1 32 32 GLN H H 1 7.513 0.019 . 1 . . . . 32 GLN HN . 6679 1
349 . 1 1 32 32 GLN HA H 1 3.924 0.021 . 1 . . . . 32 GLN HA . 6679 1
350 . 1 1 32 32 GLN HB2 H 1 2.128 0.02 . 1 . . . . 32 GLN HB2 . 6679 1
351 . 1 1 32 32 GLN HB3 H 1 2.128 0.02 . 1 . . . . 32 GLN HB3 . 6679 1
352 . 1 1 32 32 GLN HG2 H 1 2.324 0.035 . 1 . . . . 32 GLN HG2 . 6679 1
353 . 1 1 32 32 GLN HG3 H 1 2.324 0.035 . 1 . . . . 32 GLN HG3 . 6679 1
354 . 1 1 32 32 GLN HE21 H 1 7.723 0.011 . 2 . . . . 32 GLN HE21 . 6679 1
355 . 1 1 32 32 GLN HE22 H 1 6.992 0.013 . 2 . . . . 32 GLN HE22 . 6679 1
356 . 1 1 32 32 GLN C C 13 177.079 0 . 1 . . . . 32 GLN C . 6679 1
357 . 1 1 32 32 GLN CA C 13 55.198 0.15 . 1 . . . . 32 GLN CA . 6679 1
358 . 1 1 32 32 GLN CB C 13 24.935 0.112 . 1 . . . . 32 GLN CB . 6679 1
359 . 1 1 32 32 GLN CG C 13 30.336 0.263 . 1 . . . . 32 GLN CG . 6679 1
360 . 1 1 32 32 GLN N N 15 118.573 0.141 . 1 . . . . 32 GLN N . 6679 1
361 . 1 1 32 32 GLN NE2 N 15 115.539 0 . 1 . . . . 32 GLN NE2 . 6679 1
362 . 1 1 33 33 SER H H 1 8.085 0.016 . 1 . . . . 33 SER HN . 6679 1
363 . 1 1 33 33 SER HA H 1 4.033 0.042 . 1 . . . . 33 SER HA . 6679 1
364 . 1 1 33 33 SER HB2 H 1 4.088 0.012 . 1 . . . . 33 SER HB2 . 6679 1
365 . 1 1 33 33 SER HB3 H 1 4.088 0.012 . 1 . . . . 33 SER HB3 . 6679 1
366 . 1 1 33 33 SER C C 13 178.341 0 . 1 . . . . 33 SER C . 6679 1
367 . 1 1 33 33 SER CA C 13 58.831 0.475 . 1 . . . . 33 SER CA . 6679 1
368 . 1 1 33 33 SER CB C 13 59.655 0.141 . 1 . . . . 33 SER CB . 6679 1
369 . 1 1 33 33 SER N N 15 115.337 0.13 . 1 . . . . 33 SER N . 6679 1
370 . 1 1 34 34 LEU H H 1 8.088 0.037 . 1 . . . . 34 LEU HN . 6679 1
371 . 1 1 34 34 LEU HA H 1 4.144 0.041 . 1 . . . . 34 LEU HA . 6679 1
372 . 1 1 34 34 LEU HB2 H 1 1.79 0.043 . 1 . . . . 34 LEU HB2 . 6679 1
373 . 1 1 34 34 LEU HB3 H 1 1.79 0.043 . 1 . . . . 34 LEU HB3 . 6679 1
374 . 1 1 34 34 LEU HG H 1 1.792 0.046 . 1 . . . . 34 LEU HG . 6679 1
375 . 1 1 34 34 LEU HD11 H 1 0.698 0.036 . 1 . . . . 34 LEU HD1 . 6679 1
376 . 1 1 34 34 LEU HD12 H 1 0.698 0.036 . 1 . . . . 34 LEU HD1 . 6679 1
377 . 1 1 34 34 LEU HD13 H 1 0.698 0.036 . 1 . . . . 34 LEU HD1 . 6679 1
378 . 1 1 34 34 LEU HD21 H 1 0.631 0.022 . 1 . . . . 34 LEU HD2 . 6679 1
379 . 1 1 34 34 LEU HD22 H 1 0.631 0.022 . 1 . . . . 34 LEU HD2 . 6679 1
380 . 1 1 34 34 LEU HD23 H 1 0.631 0.022 . 1 . . . . 34 LEU HD2 . 6679 1
381 . 1 1 34 34 LEU C C 13 175.745 0 . 1 . . . . 34 LEU C . 6679 1
382 . 1 1 34 34 LEU CA C 13 53.999 0.139 . 1 . . . . 34 LEU CA . 6679 1
383 . 1 1 34 34 LEU CB C 13 37.509 0.156 . 1 . . . . 34 LEU CB . 6679 1
384 . 1 1 34 34 LEU CG C 13 30.05 0.118 . 1 . . . . 34 LEU CG . 6679 1
385 . 1 1 34 34 LEU CD1 C 13 23.222 0.164 . 1 . . . . 34 LEU CD1 . 6679 1
386 . 1 1 34 34 LEU CD2 C 13 19.675 0.148 . 1 . . . . 34 LEU CD2 . 6679 1
387 . 1 1 34 34 LEU N N 15 119.822 0.002 . 1 . . . . 34 LEU N . 6679 1
388 . 1 1 35 35 LYS H H 1 8.009 0.021 . 1 . . . . 35 LYS HN . 6679 1
389 . 1 1 35 35 LYS HA H 1 4.066 0.04 . 1 . . . . 35 LYS HA . 6679 1
390 . 1 1 35 35 LYS HB2 H 1 1.912 0.013 . 1 . . . . 35 LYS HB2 . 6679 1
391 . 1 1 35 35 LYS HB3 H 1 1.912 0.013 . 1 . . . . 35 LYS HB3 . 6679 1
392 . 1 1 35 35 LYS HG2 H 1 1.507 0.044 . 1 . . . . 35 LYS HG2 . 6679 1
393 . 1 1 35 35 LYS HG3 H 1 1.507 0.044 . 1 . . . . 35 LYS HG3 . 6679 1
394 . 1 1 35 35 LYS C C 13 174.619 0 . 1 . . . . 35 LYS C . 6679 1
395 . 1 1 35 35 LYS CA C 13 56.258 0.175 . 1 . . . . 35 LYS CA . 6679 1
396 . 1 1 35 35 LYS CB C 13 29.133 0.133 . 1 . . . . 35 LYS CB . 6679 1
397 . 1 1 35 35 LYS CG C 13 21.881 0.136 . 1 . . . . 35 LYS CG . 6679 1
398 . 1 1 35 35 LYS N N 15 121.059 0.194 . 1 . . . . 35 LYS N . 6679 1
399 . 1 1 36 36 ASP H H 1 8.327 0.014 . 1 . . . . 36 ASP HN . 6679 1
400 . 1 1 36 36 ASP HA H 1 4.368 0.018 . 1 . . . . 36 ASP HA . 6679 1
401 . 1 1 36 36 ASP HB2 H 1 2.73 0.055 . 2 . . . . 36 ASP HB2 . 6679 1
402 . 1 1 36 36 ASP HB3 H 1 2.672 0.017 . 2 . . . . 36 ASP HB3 . 6679 1
403 . 1 1 36 36 ASP C C 13 177.593 0 . 1 . . . . 36 ASP C . 6679 1
404 . 1 1 36 36 ASP CA C 13 53.749 0.088 . 1 . . . . 36 ASP CA . 6679 1
405 . 1 1 36 36 ASP CB C 13 36.423 0.448 . 1 . . . . 36 ASP CB . 6679 1
406 . 1 1 36 36 ASP N N 15 120.738 0.135 . 1 . . . . 36 ASP N . 6679 1
407 . 1 1 37 37 ASP H H 1 7.655 0.014 . 1 . . . . 37 ASP HN . 6679 1
408 . 1 1 37 37 ASP HA H 1 4.666 0.024 . 1 . . . . 37 ASP HA . 6679 1
409 . 1 1 37 37 ASP HB2 H 1 2.67 0.027 . 2 . . . . 37 ASP HB2 . 6679 1
410 . 1 1 37 37 ASP HB3 H 1 2.489 0.013 . 2 . . . . 37 ASP HB3 . 6679 1
411 . 1 1 37 37 ASP C C 13 178.341 0 . 1 . . . . 37 ASP C . 6679 1
412 . 1 1 37 37 ASP CA C 13 51.393 0.119 . 1 . . . . 37 ASP CA . 6679 1
413 . 1 1 37 37 ASP CB C 13 38.34 0.207 . 1 . . . . 37 ASP CB . 6679 1
414 . 1 1 37 37 ASP N N 15 118.075 0.128 . 1 . . . . 37 ASP N . 6679 1
415 . 1 1 38 38 GLY H H 1 7.978 0.012 . 1 . . . . 38 GLY HN . 6679 1
416 . 1 1 38 38 GLY HA2 H 1 3.933 0.02 . 2 . . . . 38 GLY HA2 . 6679 1
417 . 1 1 38 38 GLY HA3 H 1 3.821 0.031 . 2 . . . . 38 GLY HA3 . 6679 1
418 . 1 1 38 38 GLY C C 13 180.399 0 . 1 . . . . 38 GLY C . 6679 1
419 . 1 1 38 38 GLY CA C 13 43.129 0.099 . 1 . . . . 38 GLY CA . 6679 1
420 . 1 1 38 38 GLY N N 15 109.244 0.112 . 1 . . . . 38 GLY N . 6679 1
421 . 1 1 39 39 VAL H H 1 7.917 0.016 . 1 . . . . 39 VAL HN . 6679 1
422 . 1 1 39 39 VAL HA H 1 4.018 0.024 . 1 . . . . 39 VAL HA . 6679 1
423 . 1 1 39 39 VAL HB H 1 1.863 0.029 . 1 . . . . 39 VAL HB . 6679 1
424 . 1 1 39 39 VAL HG11 H 1 0.77 0.038 . 1 . . . . 39 VAL HG1 . 6679 1
425 . 1 1 39 39 VAL HG12 H 1 0.77 0.038 . 1 . . . . 39 VAL HG1 . 6679 1
426 . 1 1 39 39 VAL HG13 H 1 0.77 0.038 . 1 . . . . 39 VAL HG1 . 6679 1
427 . 1 1 39 39 VAL HG21 H 1 0.677 0.029 . 1 . . . . 39 VAL HG2 . 6679 1
428 . 1 1 39 39 VAL HG22 H 1 0.677 0.029 . 1 . . . . 39 VAL HG2 . 6679 1
429 . 1 1 39 39 VAL HG23 H 1 0.677 0.029 . 1 . . . . 39 VAL HG2 . 6679 1
430 . 1 1 39 39 VAL C C 13 180.212 0 . 1 . . . . 39 VAL C . 6679 1
431 . 1 1 39 39 VAL CA C 13 58.898 0.162 . 1 . . . . 39 VAL CA . 6679 1
432 . 1 1 39 39 VAL CB C 13 29.822 0.176 . 1 . . . . 39 VAL CB . 6679 1
433 . 1 1 39 39 VAL CG1 C 13 18.135 0.072 . 1 . . . . 39 VAL CG1 . 6679 1
434 . 1 1 39 39 VAL CG2 C 13 18.281 0.225 . 1 . . . . 39 VAL CG2 . 6679 1
435 . 1 1 39 39 VAL N N 15 120.948 0.061 . 1 . . . . 39 VAL N . 6679 1
436 . 1 1 40 40 GLN H H 1 8.502 0.018 . 1 . . . . 40 GLN HN . 6679 1
437 . 1 1 40 40 GLN HA H 1 4.646 0.024 . 1 . . . . 40 GLN HA . 6679 1
438 . 1 1 40 40 GLN HB2 H 1 2.071 0.028 . 2 . . . . 40 GLN HB2 . 6679 1
439 . 1 1 40 40 GLN HB3 H 1 1.956 0.042 . 2 . . . . 40 GLN HB3 . 6679 1
440 . 1 1 40 40 GLN HG2 H 1 2.286 0.026 . 1 . . . . 40 GLN HG2 . 6679 1
441 . 1 1 40 40 GLN HG3 H 1 2.286 0.026 . 1 . . . . 40 GLN HG3 . 6679 1
442 . 1 1 40 40 GLN HE21 H 1 8.018 0.009 . 2 . . . . 40 GLN HE21 . 6679 1
443 . 1 1 40 40 GLN HE22 H 1 7.55 0.008 . 2 . . . . 40 GLN HE22 . 6679 1
444 . 1 1 40 40 GLN C C 13 180.54 0 . 1 . . . . 40 GLN C . 6679 1
445 . 1 1 40 40 GLN CA C 13 51.256 0.19 . 1 . . . . 40 GLN CA . 6679 1
446 . 1 1 40 40 GLN CB C 13 27.894 0.41 . 1 . . . . 40 GLN CB . 6679 1
447 . 1 1 40 40 GLN CG C 13 30.479 0.164 . 1 . . . . 40 GLN CG . 6679 1
448 . 1 1 40 40 GLN N N 15 125.611 0.103 . 1 . . . . 40 GLN N . 6679 1
449 . 1 1 40 40 GLN NE2 N 15 114.871 0.031 . 1 . . . . 40 GLN NE2 . 6679 1
450 . 1 1 41 41 GLY H H 1 8.274 0.021 . 1 . . . . 41 GLY HN . 6679 1
451 . 1 1 41 41 GLY HA2 H 1 4.229 0.014 . 2 . . . . 41 GLY HA2 . 6679 1
452 . 1 1 41 41 GLY HA3 H 1 3.732 0.014 . 2 . . . . 41 GLY HA3 . 6679 1
453 . 1 1 41 41 GLY C C 13 183.159 0 . 1 . . . . 41 GLY C . 6679 1
454 . 1 1 41 41 GLY CA C 13 42.378 0.228 . 1 . . . . 41 GLY CA . 6679 1
455 . 1 1 41 41 GLY N N 15 107.234 0.104 . 1 . . . . 41 GLY N . 6679 1
456 . 1 1 42 42 VAL H H 1 8.042 0.031 . 1 . . . . 42 VAL HN . 6679 1
457 . 1 1 42 42 VAL HA H 1 4.42 0.026 . 1 . . . . 42 VAL HA . 6679 1
458 . 1 1 42 42 VAL HB H 1 1.947 0.047 . 1 . . . . 42 VAL HB . 6679 1
459 . 1 1 42 42 VAL HG11 H 1 1.018 0.022 . 1 . . . . 42 VAL HG1 . 6679 1
460 . 1 1 42 42 VAL HG12 H 1 1.018 0.022 . 1 . . . . 42 VAL HG1 . 6679 1
461 . 1 1 42 42 VAL HG13 H 1 1.018 0.022 . 1 . . . . 42 VAL HG1 . 6679 1
462 . 1 1 42 42 VAL HG21 H 1 0.853 0.075 . 1 . . . . 42 VAL HG2 . 6679 1
463 . 1 1 42 42 VAL HG22 H 1 0.853 0.075 . 1 . . . . 42 VAL HG2 . 6679 1
464 . 1 1 42 42 VAL HG23 H 1 0.853 0.075 . 1 . . . . 42 VAL HG2 . 6679 1
465 . 1 1 42 42 VAL C C 13 178.058 0 . 1 . . . . 42 VAL C . 6679 1
466 . 1 1 42 42 VAL CA C 13 58.988 0.384 . 1 . . . . 42 VAL CA . 6679 1
467 . 1 1 42 42 VAL CB C 13 30.426 0.444 . 1 . . . . 42 VAL CB . 6679 1
468 . 1 1 42 42 VAL CG1 C 13 18.027 0.241 . 1 . . . . 42 VAL CG1 . 6679 1
469 . 1 1 42 42 VAL CG2 C 13 17.883 0.265 . 1 . . . . 42 VAL CG2 . 6679 1
470 . 1 1 42 42 VAL N N 15 120.112 0.051 . 1 . . . . 42 VAL N . 6679 1
471 . 1 1 43 43 TRP H H 1 9.641 0.039 . 1 . . . . 43 TRP HN . 6679 1
472 . 1 1 43 43 TRP HA H 1 5.131 0.019 . 1 . . . . 43 TRP HA . 6679 1
473 . 1 1 43 43 TRP HB2 H 1 3.155 0.033 . 1 . . . . 43 TRP HB2 . 6679 1
474 . 1 1 43 43 TRP HB3 H 1 3.155 0.033 . 1 . . . . 43 TRP HB3 . 6679 1
475 . 1 1 43 43 TRP HD1 H 1 7.491 0.03 . 1 . . . . 43 TRP HD1 . 6679 1
476 . 1 1 43 43 TRP HE1 H 1 10.501 0 . 1 . . . . 43 TRP HE1 . 6679 1
477 . 1 1 43 43 TRP HE3 H 1 7.413 0.007 . 1 . . . . 43 TRP HE3 . 6679 1
478 . 1 1 43 43 TRP HZ2 H 1 7.256 0.026 . 1 . . . . 43 TRP HZ2 . 6679 1
479 . 1 1 43 43 TRP HZ3 H 1 6.647 0.014 . 1 . . . . 43 TRP HZ3 . 6679 1
480 . 1 1 43 43 TRP HH2 H 1 6.336 0.011 . 1 . . . . 43 TRP HH2 . 6679 1
481 . 1 1 43 43 TRP C C 13 177.827 0 . 1 . . . . 43 TRP C . 6679 1
482 . 1 1 43 43 TRP CA C 13 54.796 0.18 . 1 . . . . 43 TRP CA . 6679 1
483 . 1 1 43 43 TRP CB C 13 27.251 0.378 . 1 . . . . 43 TRP CB . 6679 1
484 . 1 1 43 43 TRP CD1 C 13 123.357 0.084 . 1 . . . . 43 TRP CD1 . 6679 1
485 . 1 1 43 43 TRP CE3 C 13 111.857 0.13 . 1 . . . . 43 TRP CE3 . 6679 1
486 . 1 1 43 43 TRP CZ2 C 13 115.794 0.012 . 1 . . . . 43 TRP CZ2 . 6679 1
487 . 1 1 43 43 TRP CZ3 C 13 120.789 0.017 . 1 . . . . 43 TRP CZ3 . 6679 1
488 . 1 1 43 43 TRP CH2 C 13 117.436 0.098 . 1 . . . . 43 TRP CH2 . 6679 1
489 . 1 1 43 43 TRP N N 15 130.829 0.099 . 1 . . . . 43 TRP N . 6679 1
490 . 1 1 43 43 TRP NE1 N 15 130.976 0 . 1 . . . . 43 TRP NE1 . 6679 1
491 . 1 1 44 44 THR H H 1 9.358 0.02 . 1 . . . . 44 THR HN . 6679 1
492 . 1 1 44 44 THR HA H 1 4.683 0.018 . 1 . . . . 44 THR HA . 6679 1
493 . 1 1 44 44 THR HB H 1 4.157 0.018 . 1 . . . . 44 THR HB . 6679 1
494 . 1 1 44 44 THR HG21 H 1 1.198 0.018 . 1 . . . . 44 THR HG2 . 6679 1
495 . 1 1 44 44 THR HG22 H 1 1.198 0.018 . 1 . . . . 44 THR HG2 . 6679 1
496 . 1 1 44 44 THR HG23 H 1 1.198 0.018 . 1 . . . . 44 THR HG2 . 6679 1
497 . 1 1 44 44 THR C C 13 182.41 0 . 1 . . . . 44 THR C . 6679 1
498 . 1 1 44 44 THR CA C 13 58.034 0.226 . 1 . . . . 44 THR CA . 6679 1
499 . 1 1 44 44 THR CB C 13 68.92 0.144 . 1 . . . . 44 THR CB . 6679 1
500 . 1 1 44 44 THR CG2 C 13 19.182 0.05 . 1 . . . . 44 THR CG2 . 6679 1
501 . 1 1 44 44 THR N N 15 115.817 0.122 . 1 . . . . 44 THR N . 6679 1
502 . 1 1 45 45 TYR H H 1 8.823 0.021 . 1 . . . . 45 TYR HN . 6679 1
503 . 1 1 45 45 TYR HA H 1 5.032 0.036 . 1 . . . . 45 TYR HA . 6679 1
504 . 1 1 45 45 TYR HB2 H 1 2.908 0.034 . 2 . . . . 45 TYR HB2 . 6679 1
505 . 1 1 45 45 TYR HB3 H 1 2.57 0.034 . 2 . . . . 45 TYR HB3 . 6679 1
506 . 1 1 45 45 TYR HD1 H 1 7.008 0.034 . 1 . . . . 45 TYR HD1 . 6679 1
507 . 1 1 45 45 TYR HD2 H 1 7.008 0.034 . 1 . . . . 45 TYR HD2 . 6679 1
508 . 1 1 45 45 TYR HE1 H 1 6.713 0.053 . 1 . . . . 45 TYR HE1 . 6679 1
509 . 1 1 45 45 TYR HE2 H 1 6.713 0.053 . 1 . . . . 45 TYR HE2 . 6679 1
510 . 1 1 45 45 TYR C C 13 181.475 0 . 1 . . . . 45 TYR C . 6679 1
511 . 1 1 45 45 TYR CA C 13 53.309 0.333 . 1 . . . . 45 TYR CA . 6679 1
512 . 1 1 45 45 TYR CB C 13 38.355 0.278 . 1 . . . . 45 TYR CB . 6679 1
513 . 1 1 45 45 TYR CD1 C 13 130.153 0.145 . 1 . . . . 45 TYR CD# . 6679 1
514 . 1 1 45 45 TYR CD2 C 13 130.153 0.145 . 1 . . . . 45 TYR CD# . 6679 1
515 . 1 1 45 45 TYR CE1 C 13 115.166 0.133 . 1 . . . . 45 TYR CE# . 6679 1
516 . 1 1 45 45 TYR CE2 C 13 115.166 0.133 . 1 . . . . 45 TYR CE# . 6679 1
517 . 1 1 45 45 TYR N N 15 122.139 0.05 . 1 . . . . 45 TYR N . 6679 1
518 . 1 1 46 46 ASP H H 1 7.296 0.033 . 1 . . . . 46 ASP HN . 6679 1
519 . 1 1 46 46 ASP HA H 1 4.569 0.014 . 1 . . . . 46 ASP HA . 6679 1
520 . 1 1 46 46 ASP HB2 H 1 2.621 0.016 . 2 . . . . 46 ASP HB2 . 6679 1
521 . 1 1 46 46 ASP HB3 H 1 2.174 0.022 . 2 . . . . 46 ASP HB3 . 6679 1
522 . 1 1 46 46 ASP C C 13 180.633 0 . 1 . . . . 46 ASP C . 6679 1
523 . 1 1 46 46 ASP CA C 13 48.693 0.227 . 1 . . . . 46 ASP CA . 6679 1
524 . 1 1 46 46 ASP CB C 13 40.121 0.125 . 1 . . . . 46 ASP CB . 6679 1
525 . 1 1 46 46 ASP N N 15 128.25 0.107 . 1 . . . . 46 ASP N . 6679 1
526 . 1 1 47 47 ASP H H 1 8.581 0.009 . 1 . . . . 47 ASP HN . 6679 1
527 . 1 1 47 47 ASP HA H 1 4.093 0.032 . 1 . . . . 47 ASP HA . 6679 1
528 . 1 1 47 47 ASP HB2 H 1 2.727 0.055 . 2 . . . . 47 ASP HB2 . 6679 1
529 . 1 1 47 47 ASP HB3 H 1 2.495 0.018 . 2 . . . . 47 ASP HB3 . 6679 1
530 . 1 1 47 47 ASP C C 13 176.985 0 . 1 . . . . 47 ASP C . 6679 1
531 . 1 1 47 47 ASP CA C 13 53.064 0.255 . 1 . . . . 47 ASP CA . 6679 1
532 . 1 1 47 47 ASP CB C 13 38.612 0.226 . 1 . . . . 47 ASP CB . 6679 1
533 . 1 1 47 47 ASP N N 15 124.731 0.076 . 1 . . . . 47 ASP N . 6679 1
534 . 1 1 48 48 ALA H H 1 8.365 0.011 . 1 . . . . 48 ALA HN . 6679 1
535 . 1 1 48 48 ALA HA H 1 4.068 0.015 . 1 . . . . 48 ALA HA . 6679 1
536 . 1 1 48 48 ALA HB1 H 1 1.433 0.009 . 1 . . . . 48 ALA HB . 6679 1
537 . 1 1 48 48 ALA HB2 H 1 1.433 0.009 . 1 . . . . 48 ALA HB . 6679 1
538 . 1 1 48 48 ALA HB3 H 1 1.433 0.009 . 1 . . . . 48 ALA HB . 6679 1
539 . 1 1 48 48 ALA C C 13 175.114 0 . 1 . . . . 48 ALA C . 6679 1
540 . 1 1 48 48 ALA CA C 13 51.65 0.173 . 1 . . . . 48 ALA CA . 6679 1
541 . 1 1 48 48 ALA CB C 13 15.232 0.118 . 1 . . . . 48 ALA CB . 6679 1
542 . 1 1 48 48 ALA N N 15 119.816 0.043 . 1 . . . . 48 ALA N . 6679 1
543 . 1 1 49 49 THR H H 1 7 0.025 . 1 . . . . 49 THR HN . 6679 1
544 . 1 1 49 49 THR HA H 1 4.282 0.022 . 1 . . . . 49 THR HA . 6679 1
545 . 1 1 49 49 THR HB H 1 4.214 0.052 . 1 . . . . 49 THR HB . 6679 1
546 . 1 1 49 49 THR HG21 H 1 0.978 0.022 . 1 . . . . 49 THR HG2 . 6679 1
547 . 1 1 49 49 THR HG22 H 1 0.978 0.022 . 1 . . . . 49 THR HG2 . 6679 1
548 . 1 1 49 49 THR HG23 H 1 0.978 0.022 . 1 . . . . 49 THR HG2 . 6679 1
549 . 1 1 49 49 THR C C 13 179.137 0 . 1 . . . . 49 THR C . 6679 1
550 . 1 1 49 49 THR CA C 13 57.104 0.2 . 1 . . . . 49 THR CA . 6679 1
551 . 1 1 49 49 THR CB C 13 66.909 0.236 . 1 . . . . 49 THR CB . 6679 1
552 . 1 1 49 49 THR CG2 C 13 18.245 0.133 . 1 . . . . 49 THR CG2 . 6679 1
553 . 1 1 49 49 THR N N 15 103.559 0.036 . 1 . . . . 49 THR N . 6679 1
554 . 1 1 50 50 LYS H H 1 7.854 0.018 . 1 . . . . 50 LYS HN . 6679 1
555 . 1 1 50 50 LYS HA H 1 4.209 0.063 . 1 . . . . 50 LYS HA . 6679 1
556 . 1 1 50 50 LYS HB2 H 1 2.164 0.034 . 1 . . . . 50 LYS HB2 . 6679 1
557 . 1 1 50 50 LYS HB3 H 1 2.164 0.034 . 1 . . . . 50 LYS HB3 . 6679 1
558 . 1 1 50 50 LYS HG2 H 1 1.369 0.021 . 1 . . . . 50 LYS HG2 . 6679 1
559 . 1 1 50 50 LYS HG3 H 1 1.369 0.021 . 1 . . . . 50 LYS HG3 . 6679 1
560 . 1 1 50 50 LYS C C 13 180.119 0 . 1 . . . . 50 LYS C . 6679 1
561 . 1 1 50 50 LYS CA C 13 53.539 0.451 . 1 . . . . 50 LYS CA . 6679 1
562 . 1 1 50 50 LYS CB C 13 26.237 0.162 . 1 . . . . 50 LYS CB . 6679 1
563 . 1 1 50 50 LYS CG C 13 21.81 0.116 . 1 . . . . 50 LYS CG . 6679 1
564 . 1 1 50 50 LYS N N 15 123.498 0.057 . 1 . . . . 50 LYS N . 6679 1
565 . 1 1 51 51 THR H H 1 7.244 0.013 . 1 . . . . 51 THR HN . 6679 1
566 . 1 1 51 51 THR HA H 1 5.475 0.037 . 1 . . . . 51 THR HA . 6679 1
567 . 1 1 51 51 THR HB H 1 3.726 0.016 . 1 . . . . 51 THR HB . 6679 1
568 . 1 1 51 51 THR HG21 H 1 0.907 0.018 . 1 . . . . 51 THR HG2 . 6679 1
569 . 1 1 51 51 THR HG22 H 1 0.907 0.018 . 1 . . . . 51 THR HG2 . 6679 1
570 . 1 1 51 51 THR HG23 H 1 0.907 0.018 . 1 . . . . 51 THR HG2 . 6679 1
571 . 1 1 51 51 THR C C 13 179.955 0 . 1 . . . . 51 THR C . 6679 1
572 . 1 1 51 51 THR CA C 13 58.91 0.232 . 1 . . . . 51 THR CA . 6679 1
573 . 1 1 51 51 THR CB C 13 68.781 0.087 . 1 . . . . 51 THR CB . 6679 1
574 . 1 1 51 51 THR CG2 C 13 17.977 0.148 . 1 . . . . 51 THR CG2 . 6679 1
575 . 1 1 51 51 THR N N 15 110.123 0.128 . 1 . . . . 51 THR N . 6679 1
576 . 1 1 52 52 PHE H H 1 10.086 0.047 . 1 . . . . 52 PHE HN . 6679 1
577 . 1 1 52 52 PHE HA H 1 5.459 0.019 . 1 . . . . 52 PHE HA . 6679 1
578 . 1 1 52 52 PHE HB2 H 1 3.174 0.021 . 2 . . . . 52 PHE HB2 . 6679 1
579 . 1 1 52 52 PHE HB3 H 1 2.946 0.039 . 2 . . . . 52 PHE HB3 . 6679 1
580 . 1 1 52 52 PHE HD1 H 1 7.804 0.026 . 1 . . . . 52 PHE HD1 . 6679 1
581 . 1 1 52 52 PHE HD2 H 1 7.804 0.026 . 1 . . . . 52 PHE HD2 . 6679 1
582 . 1 1 52 52 PHE HE1 H 1 7.13 0.032 . 1 . . . . 52 PHE HE1 . 6679 1
583 . 1 1 52 52 PHE HE2 H 1 7.13 0.032 . 1 . . . . 52 PHE HE2 . 6679 1
584 . 1 1 52 52 PHE HZ H 1 7.073 0.034 . 1 . . . . 52 PHE HZ . 6679 1
585 . 1 1 52 52 PHE C C 13 180.914 0 . 1 . . . . 52 PHE C . 6679 1
586 . 1 1 52 52 PHE CA C 13 54.315 0.175 . 1 . . . . 52 PHE CA . 6679 1
587 . 1 1 52 52 PHE CB C 13 38.297 0.333 . 1 . . . . 52 PHE CB . 6679 1
588 . 1 1 52 52 PHE CD1 C 13 129.34 0.1 . 1 . . . . 52 PHE CD# . 6679 1
589 . 1 1 52 52 PHE CD2 C 13 129.34 0.1 . 1 . . . . 52 PHE CD# . 6679 1
590 . 1 1 52 52 PHE CE1 C 13 128.341 0.104 . 1 . . . . 52 PHE CE# . 6679 1
591 . 1 1 52 52 PHE CE2 C 13 128.341 0.104 . 1 . . . . 52 PHE CE# . 6679 1
592 . 1 1 52 52 PHE CZ C 13 121.578 0 . 1 . . . . 52 PHE CZ . 6679 1
593 . 1 1 52 52 PHE N N 15 131.604 0.043 . 1 . . . . 52 PHE N . 6679 1
594 . 1 1 53 53 THR H H 1 9.108 0.019 . 1 . . . . 53 THR HN . 6679 1
595 . 1 1 53 53 THR HA H 1 5.192 0.03 . 1 . . . . 53 THR HA . 6679 1
596 . 1 1 53 53 THR HB H 1 3.702 0.031 . 1 . . . . 53 THR HB . 6679 1
597 . 1 1 53 53 THR HG21 H 1 0.905 0.015 . 1 . . . . 53 THR HG2 . 6679 1
598 . 1 1 53 53 THR HG22 H 1 0.905 0.015 . 1 . . . . 53 THR HG2 . 6679 1
599 . 1 1 53 53 THR HG23 H 1 0.905 0.015 . 1 . . . . 53 THR HG2 . 6679 1
600 . 1 1 53 53 THR C C 13 181.685 0 . 1 . . . . 53 THR C . 6679 1
601 . 1 1 53 53 THR CA C 13 58.228 0.2 . 1 . . . . 53 THR CA . 6679 1
602 . 1 1 53 53 THR CB C 13 66.588 0.073 . 1 . . . . 53 THR CB . 6679 1
603 . 1 1 53 53 THR CG2 C 13 17.948 0.183 . 1 . . . . 53 THR CG2 . 6679 1
604 . 1 1 53 53 THR N N 15 120.228 0.107 . 1 . . . . 53 THR N . 6679 1
605 . 1 1 54 54 VAL H H 1 9.053 0.014 . 1 . . . . 54 VAL HN . 6679 1
606 . 1 1 54 54 VAL HA H 1 4.337 0.017 . 1 . . . . 54 VAL HA . 6679 1
607 . 1 1 54 54 VAL HB H 1 1.31 0.04 . 1 . . . . 54 VAL HB . 6679 1
608 . 1 1 54 54 VAL HG11 H 1 0.059 0.013 . 1 . . . . 54 VAL HG1 . 6679 1
609 . 1 1 54 54 VAL HG12 H 1 0.059 0.013 . 1 . . . . 54 VAL HG1 . 6679 1
610 . 1 1 54 54 VAL HG13 H 1 0.059 0.013 . 1 . . . . 54 VAL HG1 . 6679 1
611 . 1 1 54 54 VAL HG21 H 1 -0.929 0.018 . 1 . . . . 54 VAL HG2 . 6679 1
612 . 1 1 54 54 VAL HG22 H 1 -0.929 0.018 . 1 . . . . 54 VAL HG2 . 6679 1
613 . 1 1 54 54 VAL HG23 H 1 -0.929 0.018 . 1 . . . . 54 VAL HG2 . 6679 1
614 . 1 1 54 54 VAL C C 13 183.205 0 . 1 . . . . 54 VAL C . 6679 1
615 . 1 1 54 54 VAL CA C 13 56.302 0.14 . 1 . . . . 54 VAL CA . 6679 1
616 . 1 1 54 54 VAL CB C 13 30.388 0.056 . 1 . . . . 54 VAL CB . 6679 1
617 . 1 1 54 54 VAL CG1 C 13 16.636 0.142 . 1 . . . . 54 VAL CG1 . 6679 1
618 . 1 1 54 54 VAL CG2 C 13 15.853 0.106 . 1 . . . . 54 VAL CG2 . 6679 1
619 . 1 1 54 54 VAL N N 15 127.134 0.119 . 1 . . . . 54 VAL N . 6679 1
620 . 1 1 55 55 GLN H H 1 8.785 0.032 . 1 . . . . 55 GLN HN . 6679 1
621 . 1 1 55 55 GLN HA H 1 4.398 0.11 . 1 . . . . 55 GLN HA . 6679 1
622 . 1 1 55 55 GLN HB2 H 1 2.111 0.028 . 2 . . . . 55 GLN HB2 . 6679 1
623 . 1 1 55 55 GLN HB3 H 1 1.904 0.02 . 2 . . . . 55 GLN HB3 . 6679 1
624 . 1 1 55 55 GLN HG2 H 1 2.285 0.022 . 1 . . . . 55 GLN HG2 . 6679 1
625 . 1 1 55 55 GLN HG3 H 1 2.285 0.022 . 1 . . . . 55 GLN HG3 . 6679 1
626 . 1 1 55 55 GLN HE21 H 1 7.456 0.01 . 2 . . . . 55 GLN HE21 . 6679 1
627 . 1 1 55 55 GLN HE22 H 1 6.947 0.008 . 2 . . . . 55 GLN HE22 . 6679 1
628 . 1 1 55 55 GLN C C 13 180.399 0 . 1 . . . . 55 GLN C . 6679 1
629 . 1 1 55 55 GLN CA C 13 52.218 0.368 . 1 . . . . 55 GLN CA . 6679 1
630 . 1 1 55 55 GLN CB C 13 26.217 0.238 . 1 . . . . 55 GLN CB . 6679 1
631 . 1 1 55 55 GLN CG C 13 30.601 0.114 . 1 . . . . 55 GLN CG . 6679 1
632 . 1 1 55 55 GLN N N 15 126.369 0.064 . 1 . . . . 55 GLN N . 6679 1
633 . 1 1 55 55 GLN NE2 N 15 113.157 0.022 . 1 . . . . 55 GLN NE2 . 6679 1
634 . 1 1 56 56 ALA H H 1 8.215 0.018 . 1 . . . . 56 ALA HN . 6679 1
635 . 1 1 56 56 ALA HA H 1 4.583 0.029 . 1 . . . . 56 ALA HA . 6679 1
636 . 1 1 56 56 ALA HB1 H 1 1.225 0.046 . 1 . . . . 56 ALA HB . 6679 1
637 . 1 1 56 56 ALA HB2 H 1 1.225 0.046 . 1 . . . . 56 ALA HB . 6679 1
638 . 1 1 56 56 ALA HB3 H 1 1.225 0.046 . 1 . . . . 56 ALA HB . 6679 1
639 . 1 1 56 56 ALA CA C 13 50.933 0.233 . 1 . . . . 56 ALA CA . 6679 1
640 . 1 1 56 56 ALA CB C 13 16.938 0.266 . 1 . . . . 56 ALA CB . 6679 1
641 . 1 1 56 56 ALA N N 15 132.834 0.055 . 1 . . . . 56 ALA N . 6679 1
stop_
save_