Content for NMR-STAR saveframe, "chemical_shift_1"
save_chemical_shift_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_1
_Assigned_chem_shift_list.Entry_ID 11239
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $condition_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11239 1
2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11239 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $Delta . . 11239 1
2 $NMRPipe . . 11239 1
3 $NMRVIEW . . 11239 1
4 $Kujira . . 11239 1
5 $CYANA . . 11239 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 7 7 GLY HA2 H 1 3.949 0.030 . 1 . . . . 7 GLY HA2 . 11239 1
2 . 1 1 7 7 GLY HA3 H 1 3.949 0.030 . 1 . . . . 7 GLY HA3 . 11239 1
3 . 1 1 7 7 GLY C C 13 171.937 0.300 . 1 . . . . 7 GLY C . 11239 1
4 . 1 1 7 7 GLY CA C 13 42.777 0.300 . 1 . . . . 7 GLY CA . 11239 1
5 . 1 1 8 8 THR H H 1 8.041 0.030 . 1 . . . . 8 THR H . 11239 1
6 . 1 1 8 8 THR HA H 1 4.264 0.030 . 1 . . . . 8 THR HA . 11239 1
7 . 1 1 8 8 THR HB H 1 4.195 0.030 . 1 . . . . 8 THR HB . 11239 1
8 . 1 1 8 8 THR HG21 H 1 1.096 0.030 . 1 . . . . 8 THR HG2 . 11239 1
9 . 1 1 8 8 THR HG22 H 1 1.096 0.030 . 1 . . . . 8 THR HG2 . 11239 1
10 . 1 1 8 8 THR HG23 H 1 1.096 0.030 . 1 . . . . 8 THR HG2 . 11239 1
11 . 1 1 8 8 THR C C 13 172.655 0.300 . 1 . . . . 8 THR C . 11239 1
12 . 1 1 8 8 THR CA C 13 59.220 0.300 . 1 . . . . 8 THR CA . 11239 1
13 . 1 1 8 8 THR CB C 13 67.157 0.300 . 1 . . . . 8 THR CB . 11239 1
14 . 1 1 8 8 THR CG2 C 13 18.877 0.300 . 1 . . . . 8 THR CG2 . 11239 1
15 . 1 1 8 8 THR N N 15 112.799 0.300 . 1 . . . . 8 THR N . 11239 1
16 . 1 1 9 9 GLY H H 1 8.333 0.030 . 1 . . . . 9 GLY H . 11239 1
17 . 1 1 9 9 GLY HA2 H 1 3.870 0.030 . 2 . . . . 9 GLY HA2 . 11239 1
18 . 1 1 9 9 GLY HA3 H 1 3.937 0.030 . 2 . . . . 9 GLY HA3 . 11239 1
19 . 1 1 9 9 GLY C C 13 171.468 0.300 . 1 . . . . 9 GLY C . 11239 1
20 . 1 1 9 9 GLY CA C 13 42.749 0.300 . 1 . . . . 9 GLY CA . 11239 1
21 . 1 1 9 9 GLY N N 15 110.821 0.300 . 1 . . . . 9 GLY N . 11239 1
22 . 1 1 10 10 GLU H H 1 8.098 0.030 . 1 . . . . 10 GLU H . 11239 1
23 . 1 1 10 10 GLU HA H 1 4.086 0.030 . 1 . . . . 10 GLU HA . 11239 1
24 . 1 1 10 10 GLU HB2 H 1 1.881 0.030 . 2 . . . . 10 GLU HB2 . 11239 1
25 . 1 1 10 10 GLU HB3 H 1 1.806 0.030 . 2 . . . . 10 GLU HB3 . 11239 1
26 . 1 1 10 10 GLU HG2 H 1 2.102 0.030 . 2 . . . . 10 GLU HG2 . 11239 1
27 . 1 1 10 10 GLU HG3 H 1 2.144 0.030 . 2 . . . . 10 GLU HG3 . 11239 1
28 . 1 1 10 10 GLU C C 13 173.618 0.300 . 1 . . . . 10 GLU C . 11239 1
29 . 1 1 10 10 GLU CA C 13 54.250 0.300 . 1 . . . . 10 GLU CA . 11239 1
30 . 1 1 10 10 GLU CB C 13 27.784 0.300 . 1 . . . . 10 GLU CB . 11239 1
31 . 1 1 10 10 GLU CG C 13 33.600 0.300 . 1 . . . . 10 GLU CG . 11239 1
32 . 1 1 10 10 GLU N N 15 120.150 0.300 . 1 . . . . 10 GLU N . 11239 1
33 . 1 1 11 11 LYS H H 1 8.207 0.030 . 1 . . . . 11 LYS H . 11239 1
34 . 1 1 11 11 LYS HA H 1 4.401 0.030 . 1 . . . . 11 LYS HA . 11239 1
35 . 1 1 11 11 LYS HB2 H 1 1.242 0.030 . 2 . . . . 11 LYS HB2 . 11239 1
36 . 1 1 11 11 LYS HB3 H 1 1.471 0.030 . 2 . . . . 11 LYS HB3 . 11239 1
37 . 1 1 11 11 LYS HD2 H 1 1.405 0.030 . 2 . . . . 11 LYS HD2 . 11239 1
38 . 1 1 11 11 LYS HD3 H 1 1.361 0.030 . 2 . . . . 11 LYS HD3 . 11239 1
39 . 1 1 11 11 LYS HE2 H 1 2.828 0.030 . 1 . . . . 11 LYS HE2 . 11239 1
40 . 1 1 11 11 LYS HE3 H 1 2.828 0.030 . 1 . . . . 11 LYS HE3 . 11239 1
41 . 1 1 11 11 LYS HG2 H 1 1.031 0.030 . 2 . . . . 11 LYS HG2 . 11239 1
42 . 1 1 11 11 LYS HG3 H 1 1.242 0.030 . 2 . . . . 11 LYS HG3 . 11239 1
43 . 1 1 11 11 LYS C C 13 171.901 0.300 . 1 . . . . 11 LYS C . 11239 1
44 . 1 1 11 11 LYS CA C 13 51.161 0.300 . 1 . . . . 11 LYS CA . 11239 1
45 . 1 1 11 11 LYS CB C 13 30.660 0.300 . 1 . . . . 11 LYS CB . 11239 1
46 . 1 1 11 11 LYS CD C 13 26.938 0.300 . 1 . . . . 11 LYS CD . 11239 1
47 . 1 1 11 11 LYS CE C 13 39.668 0.300 . 1 . . . . 11 LYS CE . 11239 1
48 . 1 1 11 11 LYS CG C 13 22.457 0.300 . 1 . . . . 11 LYS CG . 11239 1
49 . 1 1 11 11 LYS N N 15 121.212 0.300 . 1 . . . . 11 LYS N . 11239 1
50 . 1 1 12 12 PRO HA H 1 4.160 0.030 . 1 . . . . 12 PRO HA . 11239 1
51 . 1 1 12 12 PRO HB2 H 1 1.058 0.030 . 2 . . . . 12 PRO HB2 . 11239 1
52 . 1 1 12 12 PRO HB3 H 1 1.906 0.030 . 2 . . . . 12 PRO HB3 . 11239 1
53 . 1 1 12 12 PRO HD2 H 1 3.519 0.030 . 2 . . . . 12 PRO HD2 . 11239 1
54 . 1 1 12 12 PRO HD3 H 1 3.549 0.030 . 2 . . . . 12 PRO HD3 . 11239 1
55 . 1 1 12 12 PRO HG2 H 1 1.371 0.030 . 2 . . . . 12 PRO HG2 . 11239 1
56 . 1 1 12 12 PRO HG3 H 1 1.677 0.030 . 2 . . . . 12 PRO HG3 . 11239 1
57 . 1 1 12 12 PRO C C 13 173.981 0.300 . 1 . . . . 12 PRO C . 11239 1
58 . 1 1 12 12 PRO CA C 13 60.963 0.300 . 1 . . . . 12 PRO CA . 11239 1
59 . 1 1 12 12 PRO CB C 13 29.698 0.300 . 1 . . . . 12 PRO CB . 11239 1
60 . 1 1 12 12 PRO CD C 13 47.644 0.300 . 1 . . . . 12 PRO CD . 11239 1
61 . 1 1 12 12 PRO CG C 13 23.825 0.300 . 1 . . . . 12 PRO CG . 11239 1
62 . 1 1 13 13 TYR H H 1 7.671 0.030 . 1 . . . . 13 TYR H . 11239 1
63 . 1 1 13 13 TYR HA H 1 4.570 0.030 . 1 . . . . 13 TYR HA . 11239 1
64 . 1 1 13 13 TYR HB2 H 1 2.762 0.030 . 2 . . . . 13 TYR HB2 . 11239 1
65 . 1 1 13 13 TYR HB3 H 1 2.885 0.030 . 2 . . . . 13 TYR HB3 . 11239 1
66 . 1 1 13 13 TYR HD1 H 1 6.915 0.030 . 1 . . . . 13 TYR HD1 . 11239 1
67 . 1 1 13 13 TYR HD2 H 1 6.915 0.030 . 1 . . . . 13 TYR HD2 . 11239 1
68 . 1 1 13 13 TYR HE1 H 1 6.814 0.030 . 1 . . . . 13 TYR HE1 . 11239 1
69 . 1 1 13 13 TYR HE2 H 1 6.814 0.030 . 1 . . . . 13 TYR HE2 . 11239 1
70 . 1 1 13 13 TYR C C 13 171.875 0.300 . 1 . . . . 13 TYR C . 11239 1
71 . 1 1 13 13 TYR CA C 13 54.822 0.300 . 1 . . . . 13 TYR CA . 11239 1
72 . 1 1 13 13 TYR CB C 13 35.443 0.300 . 1 . . . . 13 TYR CB . 11239 1
73 . 1 1 13 13 TYR CD1 C 13 130.555 0.300 . 1 . . . . 13 TYR CD1 . 11239 1
74 . 1 1 13 13 TYR CD2 C 13 130.555 0.300 . 1 . . . . 13 TYR CD2 . 11239 1
75 . 1 1 13 13 TYR CE1 C 13 115.846 0.300 . 1 . . . . 13 TYR CE1 . 11239 1
76 . 1 1 13 13 TYR CE2 C 13 115.846 0.300 . 1 . . . . 13 TYR CE2 . 11239 1
77 . 1 1 13 13 TYR N N 15 118.237 0.300 . 1 . . . . 13 TYR N . 11239 1
78 . 1 1 14 14 ARG H H 1 8.521 0.030 . 1 . . . . 14 ARG H . 11239 1
79 . 1 1 14 14 ARG HA H 1 4.911 0.030 . 1 . . . . 14 ARG HA . 11239 1
80 . 1 1 14 14 ARG HB2 H 1 1.527 0.030 . 1 . . . . 14 ARG HB2 . 11239 1
81 . 1 1 14 14 ARG HB3 H 1 1.527 0.030 . 1 . . . . 14 ARG HB3 . 11239 1
82 . 1 1 14 14 ARG HD2 H 1 3.027 0.030 . 1 . . . . 14 ARG HD2 . 11239 1
83 . 1 1 14 14 ARG HD3 H 1 3.027 0.030 . 1 . . . . 14 ARG HD3 . 11239 1
84 . 1 1 14 14 ARG HG2 H 1 1.239 0.030 . 2 . . . . 14 ARG HG2 . 11239 1
85 . 1 1 14 14 ARG HG3 H 1 1.272 0.030 . 2 . . . . 14 ARG HG3 . 11239 1
86 . 1 1 14 14 ARG C C 13 172.519 0.300 . 1 . . . . 14 ARG C . 11239 1
87 . 1 1 14 14 ARG CA C 13 52.212 0.300 . 1 . . . . 14 ARG CA . 11239 1
88 . 1 1 14 14 ARG CB C 13 30.383 0.300 . 1 . . . . 14 ARG CB . 11239 1
89 . 1 1 14 14 ARG CD C 13 40.723 0.300 . 1 . . . . 14 ARG CD . 11239 1
90 . 1 1 14 14 ARG CG C 13 24.962 0.300 . 1 . . . . 14 ARG CG . 11239 1
91 . 1 1 14 14 ARG N N 15 124.740 0.300 . 1 . . . . 14 ARG N . 11239 1
92 . 1 1 15 15 CYS H H 1 9.200 0.030 . 1 . . . . 15 CYS H . 11239 1
93 . 1 1 15 15 CYS HA H 1 4.350 0.030 . 1 . . . . 15 CYS HA . 11239 1
94 . 1 1 15 15 CYS HB2 H 1 2.790 0.030 . 2 . . . . 15 CYS HB2 . 11239 1
95 . 1 1 15 15 CYS HB3 H 1 3.332 0.030 . 2 . . . . 15 CYS HB3 . 11239 1
96 . 1 1 15 15 CYS C C 13 174.885 0.300 . 1 . . . . 15 CYS C . 11239 1
97 . 1 1 15 15 CYS CA C 13 57.148 0.300 . 1 . . . . 15 CYS CA . 11239 1
98 . 1 1 15 15 CYS CB C 13 26.990 0.300 . 1 . . . . 15 CYS CB . 11239 1
99 . 1 1 15 15 CYS N N 15 127.509 0.300 . 1 . . . . 15 CYS N . 11239 1
100 . 1 1 16 16 GLY H H 1 9.310 0.030 . 1 . . . . 16 GLY H . 11239 1
101 . 1 1 16 16 GLY HA2 H 1 3.866 0.030 . 2 . . . . 16 GLY HA2 . 11239 1
102 . 1 1 16 16 GLY HA3 H 1 3.903 0.030 . 2 . . . . 16 GLY HA3 . 11239 1
103 . 1 1 16 16 GLY C C 13 171.567 0.300 . 1 . . . . 16 GLY C . 11239 1
104 . 1 1 16 16 GLY CA C 13 44.067 0.300 . 1 . . . . 16 GLY CA . 11239 1
105 . 1 1 16 16 GLY N N 15 120.502 0.300 . 1 . . . . 16 GLY N . 11239 1
106 . 1 1 17 17 GLU H H 1 8.536 0.030 . 1 . . . . 17 GLU H . 11239 1
107 . 1 1 17 17 GLU HA H 1 4.185 0.030 . 1 . . . . 17 GLU HA . 11239 1
108 . 1 1 17 17 GLU HB2 H 1 1.245 0.030 . 1 . . . . 17 GLU HB2 . 11239 1
109 . 1 1 17 17 GLU HB3 H 1 1.245 0.030 . 1 . . . . 17 GLU HB3 . 11239 1
110 . 1 1 17 17 GLU HG2 H 1 1.788 0.030 . 2 . . . . 17 GLU HG2 . 11239 1
111 . 1 1 17 17 GLU HG3 H 1 1.687 0.030 . 2 . . . . 17 GLU HG3 . 11239 1
112 . 1 1 17 17 GLU C C 13 174.557 0.300 . 1 . . . . 17 GLU C . 11239 1
113 . 1 1 17 17 GLU CA C 13 55.353 0.300 . 1 . . . . 17 GLU CA . 11239 1
114 . 1 1 17 17 GLU CB C 13 27.045 0.300 . 1 . . . . 17 GLU CB . 11239 1
115 . 1 1 17 17 GLU CG C 13 33.091 0.300 . 1 . . . . 17 GLU CG . 11239 1
116 . 1 1 17 17 GLU N N 15 121.265 0.300 . 1 . . . . 17 GLU N . 11239 1
117 . 1 1 18 18 CYS H H 1 7.807 0.030 . 1 . . . . 18 CYS H . 11239 1
118 . 1 1 18 18 CYS HA H 1 5.080 0.030 . 1 . . . . 18 CYS HA . 11239 1
119 . 1 1 18 18 CYS HB2 H 1 2.765 0.030 . 2 . . . . 18 CYS HB2 . 11239 1
120 . 1 1 18 18 CYS HB3 H 1 3.354 0.030 . 2 . . . . 18 CYS HB3 . 11239 1
121 . 1 1 18 18 CYS C C 13 173.695 0.300 . 1 . . . . 18 CYS C . 11239 1
122 . 1 1 18 18 CYS CA C 13 55.666 0.300 . 1 . . . . 18 CYS CA . 11239 1
123 . 1 1 18 18 CYS CB C 13 29.893 0.300 . 1 . . . . 18 CYS CB . 11239 1
124 . 1 1 18 18 CYS N N 15 114.535 0.300 . 1 . . . . 18 CYS N . 11239 1
125 . 1 1 19 19 GLY H H 1 8.041 0.030 . 1 . . . . 19 GLY H . 11239 1
126 . 1 1 19 19 GLY HA2 H 1 3.694 0.030 . 2 . . . . 19 GLY HA2 . 11239 1
127 . 1 1 19 19 GLY HA3 H 1 4.165 0.030 . 2 . . . . 19 GLY HA3 . 11239 1
128 . 1 1 19 19 GLY C C 13 171.136 0.300 . 1 . . . . 19 GLY C . 11239 1
129 . 1 1 19 19 GLY CA C 13 43.518 0.300 . 1 . . . . 19 GLY CA . 11239 1
130 . 1 1 19 19 GLY N N 15 113.308 0.300 . 1 . . . . 19 GLY N . 11239 1
131 . 1 1 20 20 LYS H H 1 7.907 0.030 . 1 . . . . 20 LYS H . 11239 1
132 . 1 1 20 20 LYS HA H 1 3.835 0.030 . 1 . . . . 20 LYS HA . 11239 1
133 . 1 1 20 20 LYS HB2 H 1 1.090 0.030 . 2 . . . . 20 LYS HB2 . 11239 1
134 . 1 1 20 20 LYS HB3 H 1 1.351 0.030 . 2 . . . . 20 LYS HB3 . 11239 1
135 . 1 1 20 20 LYS HD2 H 1 1.325 0.030 . 2 . . . . 20 LYS HD2 . 11239 1
136 . 1 1 20 20 LYS HD3 H 1 1.407 0.030 . 2 . . . . 20 LYS HD3 . 11239 1
137 . 1 1 20 20 LYS HE2 H 1 2.795 0.030 . 2 . . . . 20 LYS HE2 . 11239 1
138 . 1 1 20 20 LYS HE3 H 1 2.869 0.030 . 2 . . . . 20 LYS HE3 . 11239 1
139 . 1 1 20 20 LYS HG2 H 1 1.264 0.030 . 2 . . . . 20 LYS HG2 . 11239 1
140 . 1 1 20 20 LYS HG3 H 1 0.938 0.030 . 2 . . . . 20 LYS HG3 . 11239 1
141 . 1 1 20 20 LYS C C 13 171.222 0.300 . 1 . . . . 20 LYS C . 11239 1
142 . 1 1 20 20 LYS CA C 13 55.743 0.300 . 1 . . . . 20 LYS CA . 11239 1
143 . 1 1 20 20 LYS CB C 13 30.892 0.300 . 1 . . . . 20 LYS CB . 11239 1
144 . 1 1 20 20 LYS CD C 13 26.627 0.300 . 1 . . . . 20 LYS CD . 11239 1
145 . 1 1 20 20 LYS CE C 13 39.548 0.300 . 1 . . . . 20 LYS CE . 11239 1
146 . 1 1 20 20 LYS CG C 13 23.504 0.300 . 1 . . . . 20 LYS CG . 11239 1
147 . 1 1 20 20 LYS N N 15 123.428 0.300 . 1 . . . . 20 LYS N . 11239 1
148 . 1 1 21 21 ALA H H 1 7.742 0.030 . 1 . . . . 21 ALA H . 11239 1
149 . 1 1 21 21 ALA HA H 1 5.042 0.030 . 1 . . . . 21 ALA HA . 11239 1
150 . 1 1 21 21 ALA HB1 H 1 1.112 0.030 . 1 . . . . 21 ALA HB . 11239 1
151 . 1 1 21 21 ALA HB2 H 1 1.112 0.030 . 1 . . . . 21 ALA HB . 11239 1
152 . 1 1 21 21 ALA HB3 H 1 1.112 0.030 . 1 . . . . 21 ALA HB . 11239 1
153 . 1 1 21 21 ALA C C 13 173.452 0.300 . 1 . . . . 21 ALA C . 11239 1
154 . 1 1 21 21 ALA CA C 13 47.781 0.300 . 1 . . . . 21 ALA CA . 11239 1
155 . 1 1 21 21 ALA CB C 13 19.532 0.300 . 1 . . . . 21 ALA CB . 11239 1
156 . 1 1 21 21 ALA N N 15 124.609 0.300 . 1 . . . . 21 ALA N . 11239 1
157 . 1 1 22 22 PHE H H 1 8.650 0.030 . 1 . . . . 22 PHE H . 11239 1
158 . 1 1 22 22 PHE HA H 1 4.571 0.030 . 1 . . . . 22 PHE HA . 11239 1
159 . 1 1 22 22 PHE HB2 H 1 2.580 0.030 . 2 . . . . 22 PHE HB2 . 11239 1
160 . 1 1 22 22 PHE HB3 H 1 3.334 0.030 . 2 . . . . 22 PHE HB3 . 11239 1
161 . 1 1 22 22 PHE HD1 H 1 7.186 0.030 . 1 . . . . 22 PHE HD1 . 11239 1
162 . 1 1 22 22 PHE HD2 H 1 7.186 0.030 . 1 . . . . 22 PHE HD2 . 11239 1
163 . 1 1 22 22 PHE HE1 H 1 6.771 0.030 . 1 . . . . 22 PHE HE1 . 11239 1
164 . 1 1 22 22 PHE HE2 H 1 6.771 0.030 . 1 . . . . 22 PHE HE2 . 11239 1
165 . 1 1 22 22 PHE HZ H 1 6.281 0.030 . 1 . . . . 22 PHE HZ . 11239 1
166 . 1 1 22 22 PHE C C 13 172.108 0.300 . 1 . . . . 22 PHE C . 11239 1
167 . 1 1 22 22 PHE CA C 13 54.750 0.300 . 1 . . . . 22 PHE CA . 11239 1
168 . 1 1 22 22 PHE CB C 13 40.947 0.300 . 1 . . . . 22 PHE CB . 11239 1
169 . 1 1 22 22 PHE CD1 C 13 129.746 0.300 . 1 . . . . 22 PHE CD1 . 11239 1
170 . 1 1 22 22 PHE CD2 C 13 129.746 0.300 . 1 . . . . 22 PHE CD2 . 11239 1
171 . 1 1 22 22 PHE CE1 C 13 128.082 0.300 . 1 . . . . 22 PHE CE1 . 11239 1
172 . 1 1 22 22 PHE CE2 C 13 128.082 0.300 . 1 . . . . 22 PHE CE2 . 11239 1
173 . 1 1 22 22 PHE CZ C 13 126.241 0.300 . 1 . . . . 22 PHE CZ . 11239 1
174 . 1 1 22 22 PHE N N 15 116.671 0.300 . 1 . . . . 22 PHE N . 11239 1
175 . 1 1 23 23 ALA H H 1 9.001 0.030 . 1 . . . . 23 ALA H . 11239 1
176 . 1 1 23 23 ALA HA H 1 4.537 0.030 . 1 . . . . 23 ALA HA . 11239 1
177 . 1 1 23 23 ALA HB1 H 1 1.583 0.030 . 1 . . . . 23 ALA HB . 11239 1
178 . 1 1 23 23 ALA HB2 H 1 1.583 0.030 . 1 . . . . 23 ALA HB . 11239 1
179 . 1 1 23 23 ALA HB3 H 1 1.583 0.030 . 1 . . . . 23 ALA HB . 11239 1
180 . 1 1 23 23 ALA C C 13 174.748 0.300 . 1 . . . . 23 ALA C . 11239 1
181 . 1 1 23 23 ALA CA C 13 51.424 0.300 . 1 . . . . 23 ALA CA . 11239 1
182 . 1 1 23 23 ALA CB C 13 17.497 0.300 . 1 . . . . 23 ALA CB . 11239 1
183 . 1 1 23 23 ALA N N 15 123.666 0.300 . 1 . . . . 23 ALA N . 11239 1
184 . 1 1 24 24 GLN H H 1 7.627 0.030 . 1 . . . . 24 GLN H . 11239 1
185 . 1 1 24 24 GLN HA H 1 4.745 0.030 . 1 . . . . 24 GLN HA . 11239 1
186 . 1 1 24 24 GLN HB2 H 1 2.115 0.030 . 2 . . . . 24 GLN HB2 . 11239 1
187 . 1 1 24 24 GLN HB3 H 1 1.926 0.030 . 2 . . . . 24 GLN HB3 . 11239 1
188 . 1 1 24 24 GLN HE21 H 1 7.474 0.030 . 2 . . . . 24 GLN HE21 . 11239 1
189 . 1 1 24 24 GLN HE22 H 1 6.815 0.030 . 2 . . . . 24 GLN HE22 . 11239 1
190 . 1 1 24 24 GLN HG2 H 1 2.348 0.030 . 1 . . . . 24 GLN HG2 . 11239 1
191 . 1 1 24 24 GLN HG3 H 1 2.348 0.030 . 1 . . . . 24 GLN HG3 . 11239 1
192 . 1 1 24 24 GLN C C 13 173.572 0.300 . 1 . . . . 24 GLN C . 11239 1
193 . 1 1 24 24 GLN CA C 13 51.123 0.300 . 1 . . . . 24 GLN CA . 11239 1
194 . 1 1 24 24 GLN CB C 13 28.354 0.300 . 1 . . . . 24 GLN CB . 11239 1
195 . 1 1 24 24 GLN CG C 13 30.797 0.300 . 1 . . . . 24 GLN CG . 11239 1
196 . 1 1 24 24 GLN N N 15 112.630 0.300 . 1 . . . . 24 GLN N . 11239 1
197 . 1 1 24 24 GLN NE2 N 15 112.040 0.300 . 1 . . . . 24 GLN NE2 . 11239 1
198 . 1 1 25 25 LYS H H 1 8.399 0.030 . 1 . . . . 25 LYS H . 11239 1
199 . 1 1 25 25 LYS HA H 1 2.873 0.030 . 1 . . . . 25 LYS HA . 11239 1
200 . 1 1 25 25 LYS HB2 H 1 1.339 0.030 . 2 . . . . 25 LYS HB2 . 11239 1
201 . 1 1 25 25 LYS HB3 H 1 0.854 0.030 . 2 . . . . 25 LYS HB3 . 11239 1
202 . 1 1 25 25 LYS HD2 H 1 1.457 0.030 . 2 . . . . 25 LYS HD2 . 11239 1
203 . 1 1 25 25 LYS HD3 H 1 1.389 0.030 . 2 . . . . 25 LYS HD3 . 11239 1
204 . 1 1 25 25 LYS HE2 H 1 2.777 0.030 . 1 . . . . 25 LYS HE2 . 11239 1
205 . 1 1 25 25 LYS HE3 H 1 2.777 0.030 . 1 . . . . 25 LYS HE3 . 11239 1
206 . 1 1 25 25 LYS HG2 H 1 1.031 0.030 . 2 . . . . 25 LYS HG2 . 11239 1
207 . 1 1 25 25 LYS HG3 H 1 0.859 0.030 . 2 . . . . 25 LYS HG3 . 11239 1
208 . 1 1 25 25 LYS C C 13 175.576 0.300 . 1 . . . . 25 LYS C . 11239 1
209 . 1 1 25 25 LYS CA C 13 56.992 0.300 . 1 . . . . 25 LYS CA . 11239 1
210 . 1 1 25 25 LYS CB C 13 28.883 0.300 . 1 . . . . 25 LYS CB . 11239 1
211 . 1 1 25 25 LYS CD C 13 26.422 0.300 . 1 . . . . 25 LYS CD . 11239 1
212 . 1 1 25 25 LYS CE C 13 39.479 0.300 . 1 . . . . 25 LYS CE . 11239 1
213 . 1 1 25 25 LYS CG C 13 22.252 0.300 . 1 . . . . 25 LYS CG . 11239 1
214 . 1 1 25 25 LYS N N 15 127.980 0.300 . 1 . . . . 25 LYS N . 11239 1
215 . 1 1 26 26 ALA HA H 1 3.912 0.030 . 1 . . . . 26 ALA HA . 11239 1
216 . 1 1 26 26 ALA HB1 H 1 1.222 0.030 . 1 . . . . 26 ALA HB . 11239 1
217 . 1 1 26 26 ALA HB2 H 1 1.222 0.030 . 1 . . . . 26 ALA HB . 11239 1
218 . 1 1 26 26 ALA HB3 H 1 1.222 0.030 . 1 . . . . 26 ALA HB . 11239 1
219 . 1 1 26 26 ALA C C 13 177.367 0.300 . 1 . . . . 26 ALA C . 11239 1
220 . 1 1 26 26 ALA CA C 13 52.249 0.300 . 1 . . . . 26 ALA CA . 11239 1
221 . 1 1 26 26 ALA CB C 13 15.522 0.300 . 1 . . . . 26 ALA CB . 11239 1
222 . 1 1 27 27 ASN H H 1 6.912 0.030 . 1 . . . . 27 ASN H . 11239 1
223 . 1 1 27 27 ASN HA H 1 4.338 0.030 . 1 . . . . 27 ASN HA . 11239 1
224 . 1 1 27 27 ASN HB2 H 1 2.760 0.030 . 2 . . . . 27 ASN HB2 . 11239 1
225 . 1 1 27 27 ASN HB3 H 1 2.822 0.030 . 2 . . . . 27 ASN HB3 . 11239 1
226 . 1 1 27 27 ASN HD21 H 1 7.062 0.030 . 2 . . . . 27 ASN HD21 . 11239 1
227 . 1 1 27 27 ASN HD22 H 1 7.879 0.030 . 2 . . . . 27 ASN HD22 . 11239 1
228 . 1 1 27 27 ASN C C 13 174.945 0.300 . 1 . . . . 27 ASN C . 11239 1
229 . 1 1 27 27 ASN CA C 13 52.537 0.300 . 1 . . . . 27 ASN CA . 11239 1
230 . 1 1 27 27 ASN CB C 13 35.717 0.300 . 1 . . . . 27 ASN CB . 11239 1
231 . 1 1 27 27 ASN N N 15 113.467 0.300 . 1 . . . . 27 ASN N . 11239 1
232 . 1 1 27 27 ASN ND2 N 15 112.420 0.300 . 1 . . . . 27 ASN ND2 . 11239 1
233 . 1 1 28 28 LEU H H 1 6.937 0.030 . 1 . . . . 28 LEU H . 11239 1
234 . 1 1 28 28 LEU HA H 1 3.165 0.030 . 1 . . . . 28 LEU HA . 11239 1
235 . 1 1 28 28 LEU HB2 H 1 1.971 0.030 . 2 . . . . 28 LEU HB2 . 11239 1
236 . 1 1 28 28 LEU HB3 H 1 1.122 0.030 . 2 . . . . 28 LEU HB3 . 11239 1
237 . 1 1 28 28 LEU HD11 H 1 0.879 0.030 . 1 . . . . 28 LEU HD1 . 11239 1
238 . 1 1 28 28 LEU HD12 H 1 0.879 0.030 . 1 . . . . 28 LEU HD1 . 11239 1
239 . 1 1 28 28 LEU HD13 H 1 0.879 0.030 . 1 . . . . 28 LEU HD1 . 11239 1
240 . 1 1 28 28 LEU HD21 H 1 0.921 0.030 . 1 . . . . 28 LEU HD2 . 11239 1
241 . 1 1 28 28 LEU HD22 H 1 0.921 0.030 . 1 . . . . 28 LEU HD2 . 11239 1
242 . 1 1 28 28 LEU HD23 H 1 0.921 0.030 . 1 . . . . 28 LEU HD2 . 11239 1
243 . 1 1 28 28 LEU HG H 1 1.391 0.030 . 1 . . . . 28 LEU HG . 11239 1
244 . 1 1 28 28 LEU C C 13 174.933 0.300 . 1 . . . . 28 LEU C . 11239 1
245 . 1 1 28 28 LEU CA C 13 55.410 0.300 . 1 . . . . 28 LEU CA . 11239 1
246 . 1 1 28 28 LEU CB C 13 37.114 0.300 . 1 . . . . 28 LEU CB . 11239 1
247 . 1 1 28 28 LEU CD1 C 13 23.892 0.300 . 2 . . . . 28 LEU CD1 . 11239 1
248 . 1 1 28 28 LEU CD2 C 13 20.170 0.300 . 2 . . . . 28 LEU CD2 . 11239 1
249 . 1 1 28 28 LEU CG C 13 24.918 0.300 . 1 . . . . 28 LEU CG . 11239 1
250 . 1 1 28 28 LEU N N 15 123.256 0.300 . 1 . . . . 28 LEU N . 11239 1
251 . 1 1 29 29 THR H H 1 8.359 0.030 . 1 . . . . 29 THR H . 11239 1
252 . 1 1 29 29 THR HA H 1 3.839 0.030 . 1 . . . . 29 THR HA . 11239 1
253 . 1 1 29 29 THR HB H 1 3.995 0.030 . 1 . . . . 29 THR HB . 11239 1
254 . 1 1 29 29 THR HG21 H 1 1.078 0.030 . 1 . . . . 29 THR HG2 . 11239 1
255 . 1 1 29 29 THR HG22 H 1 1.078 0.030 . 1 . . . . 29 THR HG2 . 11239 1
256 . 1 1 29 29 THR HG23 H 1 1.078 0.030 . 1 . . . . 29 THR HG2 . 11239 1
257 . 1 1 29 29 THR C C 13 174.364 0.300 . 1 . . . . 29 THR C . 11239 1
258 . 1 1 29 29 THR CA C 13 63.683 0.300 . 1 . . . . 29 THR CA . 11239 1
259 . 1 1 29 29 THR CB C 13 65.714 0.300 . 1 . . . . 29 THR CB . 11239 1
260 . 1 1 29 29 THR CG2 C 13 19.487 0.300 . 1 . . . . 29 THR CG2 . 11239 1
261 . 1 1 29 29 THR N N 15 116.236 0.300 . 1 . . . . 29 THR N . 11239 1
262 . 1 1 30 30 GLN H H 1 7.414 0.030 . 1 . . . . 30 GLN H . 11239 1
263 . 1 1 30 30 GLN HA H 1 3.860 0.030 . 1 . . . . 30 GLN HA . 11239 1
264 . 1 1 30 30 GLN HB2 H 1 1.948 0.030 . 1 . . . . 30 GLN HB2 . 11239 1
265 . 1 1 30 30 GLN HB3 H 1 1.948 0.030 . 1 . . . . 30 GLN HB3 . 11239 1
266 . 1 1 30 30 GLN HE21 H 1 7.322 0.030 . 2 . . . . 30 GLN HE21 . 11239 1
267 . 1 1 30 30 GLN HE22 H 1 6.747 0.030 . 2 . . . . 30 GLN HE22 . 11239 1
268 . 1 1 30 30 GLN HG2 H 1 2.322 0.030 . 2 . . . . 30 GLN HG2 . 11239 1
269 . 1 1 30 30 GLN HG3 H 1 2.299 0.030 . 2 . . . . 30 GLN HG3 . 11239 1
270 . 1 1 30 30 GLN C C 13 175.744 0.300 . 1 . . . . 30 GLN C . 11239 1
271 . 1 1 30 30 GLN CA C 13 56.158 0.300 . 1 . . . . 30 GLN CA . 11239 1
272 . 1 1 30 30 GLN CB C 13 25.909 0.300 . 1 . . . . 30 GLN CB . 11239 1
273 . 1 1 30 30 GLN CG C 13 30.873 0.300 . 1 . . . . 30 GLN CG . 11239 1
274 . 1 1 30 30 GLN N N 15 118.935 0.300 . 1 . . . . 30 GLN N . 11239 1
275 . 1 1 30 30 GLN NE2 N 15 111.809 0.300 . 1 . . . . 30 GLN NE2 . 11239 1
276 . 1 1 31 31 HIS H H 1 7.471 0.030 . 1 . . . . 31 HIS H . 11239 1
277 . 1 1 31 31 HIS HA H 1 4.106 0.030 . 1 . . . . 31 HIS HA . 11239 1
278 . 1 1 31 31 HIS HB2 H 1 2.899 0.030 . 2 . . . . 31 HIS HB2 . 11239 1
279 . 1 1 31 31 HIS HB3 H 1 3.130 0.030 . 2 . . . . 31 HIS HB3 . 11239 1
280 . 1 1 31 31 HIS HD2 H 1 6.859 0.030 . 1 . . . . 31 HIS HD2 . 11239 1
281 . 1 1 31 31 HIS HE1 H 1 7.950 0.030 . 1 . . . . 31 HIS HE1 . 11239 1
282 . 1 1 31 31 HIS C C 13 173.588 0.300 . 1 . . . . 31 HIS C . 11239 1
283 . 1 1 31 31 HIS CA C 13 56.542 0.300 . 1 . . . . 31 HIS CA . 11239 1
284 . 1 1 31 31 HIS CB C 13 25.942 0.300 . 1 . . . . 31 HIS CB . 11239 1
285 . 1 1 31 31 HIS CD2 C 13 124.487 0.300 . 1 . . . . 31 HIS CD2 . 11239 1
286 . 1 1 31 31 HIS CE1 C 13 137.136 0.300 . 1 . . . . 31 HIS CE1 . 11239 1
287 . 1 1 31 31 HIS N N 15 119.621 0.300 . 1 . . . . 31 HIS N . 11239 1
288 . 1 1 32 32 GLN H H 1 8.279 0.030 . 1 . . . . 32 GLN H . 11239 1
289 . 1 1 32 32 GLN HA H 1 3.585 0.030 . 1 . . . . 32 GLN HA . 11239 1
290 . 1 1 32 32 GLN HB2 H 1 2.124 0.030 . 2 . . . . 32 GLN HB2 . 11239 1
291 . 1 1 32 32 GLN HB3 H 1 2.231 0.030 . 2 . . . . 32 GLN HB3 . 11239 1
292 . 1 1 32 32 GLN HE21 H 1 6.947 0.030 . 2 . . . . 32 GLN HE21 . 11239 1
293 . 1 1 32 32 GLN HE22 H 1 7.564 0.030 . 2 . . . . 32 GLN HE22 . 11239 1
294 . 1 1 32 32 GLN HG2 H 1 2.727 0.030 . 1 . . . . 32 GLN HG2 . 11239 1
295 . 1 1 32 32 GLN HG3 H 1 2.727 0.030 . 1 . . . . 32 GLN HG3 . 11239 1
296 . 1 1 32 32 GLN C C 13 174.719 0.300 . 1 . . . . 32 GLN C . 11239 1
297 . 1 1 32 32 GLN CA C 13 56.776 0.300 . 1 . . . . 32 GLN CA . 11239 1
298 . 1 1 32 32 GLN CB C 13 25.745 0.300 . 1 . . . . 32 GLN CB . 11239 1
299 . 1 1 32 32 GLN CG C 13 32.983 0.300 . 1 . . . . 32 GLN CG . 11239 1
300 . 1 1 32 32 GLN N N 15 115.138 0.300 . 1 . . . . 32 GLN N . 11239 1
301 . 1 1 32 32 GLN NE2 N 15 112.501 0.300 . 1 . . . . 32 GLN NE2 . 11239 1
302 . 1 1 33 33 ARG H H 1 7.023 0.030 . 1 . . . . 33 ARG H . 11239 1
303 . 1 1 33 33 ARG HA H 1 4.038 0.030 . 1 . . . . 33 ARG HA . 11239 1
304 . 1 1 33 33 ARG HB2 H 1 1.690 0.030 . 2 . . . . 33 ARG HB2 . 11239 1
305 . 1 1 33 33 ARG HB3 H 1 1.797 0.030 . 2 . . . . 33 ARG HB3 . 11239 1
306 . 1 1 33 33 ARG HD2 H 1 3.103 0.030 . 1 . . . . 33 ARG HD2 . 11239 1
307 . 1 1 33 33 ARG HD3 H 1 3.103 0.030 . 1 . . . . 33 ARG HD3 . 11239 1
308 . 1 1 33 33 ARG HG2 H 1 1.571 0.030 . 2 . . . . 33 ARG HG2 . 11239 1
309 . 1 1 33 33 ARG HG3 H 1 1.742 0.030 . 2 . . . . 33 ARG HG3 . 11239 1
310 . 1 1 33 33 ARG C C 13 175.935 0.300 . 1 . . . . 33 ARG C . 11239 1
311 . 1 1 33 33 ARG CA C 13 55.806 0.300 . 1 . . . . 33 ARG CA . 11239 1
312 . 1 1 33 33 ARG CB C 13 27.318 0.300 . 1 . . . . 33 ARG CB . 11239 1
313 . 1 1 33 33 ARG CD C 13 40.846 0.300 . 1 . . . . 33 ARG CD . 11239 1
314 . 1 1 33 33 ARG CG C 13 24.955 0.300 . 1 . . . . 33 ARG CG . 11239 1
315 . 1 1 33 33 ARG N N 15 117.333 0.300 . 1 . . . . 33 ARG N . 11239 1
316 . 1 1 34 34 ILE H H 1 7.716 0.030 . 1 . . . . 34 ILE H . 11239 1
317 . 1 1 34 34 ILE HA H 1 3.893 0.030 . 1 . . . . 34 ILE HA . 11239 1
318 . 1 1 34 34 ILE HB H 1 1.588 0.030 . 1 . . . . 34 ILE HB . 11239 1
319 . 1 1 34 34 ILE HD11 H 1 0.614 0.030 . 1 . . . . 34 ILE HD1 . 11239 1
320 . 1 1 34 34 ILE HD12 H 1 0.614 0.030 . 1 . . . . 34 ILE HD1 . 11239 1
321 . 1 1 34 34 ILE HD13 H 1 0.614 0.030 . 1 . . . . 34 ILE HD1 . 11239 1
322 . 1 1 34 34 ILE HG12 H 1 0.848 0.030 . 2 . . . . 34 ILE HG12 . 11239 1
323 . 1 1 34 34 ILE HG13 H 1 0.670 0.030 . 2 . . . . 34 ILE HG13 . 11239 1
324 . 1 1 34 34 ILE HG21 H 1 0.481 0.030 . 1 . . . . 34 ILE HG2 . 11239 1
325 . 1 1 34 34 ILE HG22 H 1 0.481 0.030 . 1 . . . . 34 ILE HG2 . 11239 1
326 . 1 1 34 34 ILE HG23 H 1 0.481 0.030 . 1 . . . . 34 ILE HG2 . 11239 1
327 . 1 1 34 34 ILE C C 13 174.785 0.300 . 1 . . . . 34 ILE C . 11239 1
328 . 1 1 34 34 ILE CA C 13 60.385 0.300 . 1 . . . . 34 ILE CA . 11239 1
329 . 1 1 34 34 ILE CB C 13 35.066 0.300 . 1 . . . . 34 ILE CB . 11239 1
330 . 1 1 34 34 ILE CD1 C 13 11.730 0.300 . 1 . . . . 34 ILE CD1 . 11239 1
331 . 1 1 34 34 ILE CG1 C 13 24.050 0.300 . 1 . . . . 34 ILE CG1 . 11239 1
332 . 1 1 34 34 ILE CG2 C 13 13.868 0.300 . 1 . . . . 34 ILE CG2 . 11239 1
333 . 1 1 34 34 ILE N N 15 116.092 0.300 . 1 . . . . 34 ILE N . 11239 1
334 . 1 1 35 35 HIS H H 1 7.098 0.030 . 1 . . . . 35 HIS H . 11239 1
335 . 1 1 35 35 HIS HA H 1 4.774 0.030 . 1 . . . . 35 HIS HA . 11239 1
336 . 1 1 35 35 HIS HB2 H 1 3.270 0.030 . 2 . . . . 35 HIS HB2 . 11239 1
337 . 1 1 35 35 HIS HB3 H 1 3.136 0.030 . 2 . . . . 35 HIS HB3 . 11239 1
338 . 1 1 35 35 HIS HD2 H 1 6.667 0.030 . 1 . . . . 35 HIS HD2 . 11239 1
339 . 1 1 35 35 HIS HE1 H 1 7.979 0.030 . 1 . . . . 35 HIS HE1 . 11239 1
340 . 1 1 35 35 HIS C C 13 173.172 0.300 . 1 . . . . 35 HIS C . 11239 1
341 . 1 1 35 35 HIS CA C 13 52.531 0.300 . 1 . . . . 35 HIS CA . 11239 1
342 . 1 1 35 35 HIS CB C 13 25.876 0.300 . 1 . . . . 35 HIS CB . 11239 1
343 . 1 1 35 35 HIS CD2 C 13 125.001 0.300 . 1 . . . . 35 HIS CD2 . 11239 1
344 . 1 1 35 35 HIS CE1 C 13 137.386 0.300 . 1 . . . . 35 HIS CE1 . 11239 1
345 . 1 1 35 35 HIS N N 15 117.611 0.300 . 1 . . . . 35 HIS N . 11239 1
346 . 1 1 36 36 THR H H 1 7.668 0.030 . 1 . . . . 36 THR H . 11239 1
347 . 1 1 36 36 THR HA H 1 4.266 0.030 . 1 . . . . 36 THR HA . 11239 1
348 . 1 1 36 36 THR HB H 1 4.238 0.030 . 1 . . . . 36 THR HB . 11239 1
349 . 1 1 36 36 THR HG21 H 1 1.147 0.030 . 1 . . . . 36 THR HG2 . 11239 1
350 . 1 1 36 36 THR HG22 H 1 1.147 0.030 . 1 . . . . 36 THR HG2 . 11239 1
351 . 1 1 36 36 THR HG23 H 1 1.147 0.030 . 1 . . . . 36 THR HG2 . 11239 1
352 . 1 1 36 36 THR C C 13 172.828 0.300 . 1 . . . . 36 THR C . 11239 1
353 . 1 1 36 36 THR CA C 13 59.838 0.300 . 1 . . . . 36 THR CA . 11239 1
354 . 1 1 36 36 THR CB C 13 67.176 0.300 . 1 . . . . 36 THR CB . 11239 1
355 . 1 1 36 36 THR CG2 C 13 18.961 0.300 . 1 . . . . 36 THR CG2 . 11239 1
356 . 1 1 36 36 THR N N 15 111.677 0.300 . 1 . . . . 36 THR N . 11239 1
357 . 1 1 37 37 GLY H H 1 8.118 0.030 . 1 . . . . 37 GLY H . 11239 1
358 . 1 1 37 37 GLY HA2 H 1 3.933 0.030 . 2 . . . . 37 GLY HA2 . 11239 1
359 . 1 1 37 37 GLY HA3 H 1 3.871 0.030 . 2 . . . . 37 GLY HA3 . 11239 1
360 . 1 1 37 37 GLY C C 13 171.468 0.300 . 1 . . . . 37 GLY C . 11239 1
361 . 1 1 37 37 GLY CA C 13 42.692 0.300 . 1 . . . . 37 GLY CA . 11239 1
362 . 1 1 37 37 GLY N N 15 110.498 0.300 . 1 . . . . 37 GLY N . 11239 1
363 . 1 1 38 38 GLU H H 1 7.981 0.030 . 1 . . . . 38 GLU H . 11239 1
364 . 1 1 38 38 GLU HA H 1 4.158 0.030 . 1 . . . . 38 GLU HA . 11239 1
365 . 1 1 38 38 GLU HB2 H 1 1.813 0.030 . 2 . . . . 38 GLU HB2 . 11239 1
366 . 1 1 38 38 GLU HB3 H 1 1.901 0.030 . 2 . . . . 38 GLU HB3 . 11239 1
367 . 1 1 38 38 GLU HG2 H 1 2.117 0.030 . 2 . . . . 38 GLU HG2 . 11239 1
368 . 1 1 38 38 GLU HG3 H 1 2.174 0.030 . 2 . . . . 38 GLU HG3 . 11239 1
369 . 1 1 38 38 GLU C C 13 173.909 0.300 . 1 . . . . 38 GLU C . 11239 1
370 . 1 1 38 38 GLU CA C 13 53.822 0.300 . 1 . . . . 38 GLU CA . 11239 1
371 . 1 1 38 38 GLU CB C 13 27.909 0.300 . 1 . . . . 38 GLU CB . 11239 1
372 . 1 1 38 38 GLU CG C 13 33.669 0.300 . 1 . . . . 38 GLU CG . 11239 1
373 . 1 1 38 38 GLU N N 15 120.500 0.300 . 1 . . . . 38 GLU N . 11239 1
374 . 1 1 39 39 LYS H H 1 8.281 0.030 . 1 . . . . 39 LYS H . 11239 1
375 . 1 1 39 39 LYS HA H 1 4.520 0.030 . 1 . . . . 39 LYS HA . 11239 1
376 . 1 1 39 39 LYS HB2 H 1 1.634 0.030 . 2 . . . . 39 LYS HB2 . 11239 1
377 . 1 1 39 39 LYS HB3 H 1 1.725 0.030 . 2 . . . . 39 LYS HB3 . 11239 1
378 . 1 1 39 39 LYS HD2 H 1 1.597 0.030 . 1 . . . . 39 LYS HD2 . 11239 1
379 . 1 1 39 39 LYS HD3 H 1 1.597 0.030 . 1 . . . . 39 LYS HD3 . 11239 1
380 . 1 1 39 39 LYS HE2 H 1 2.911 0.030 . 1 . . . . 39 LYS HE2 . 11239 1
381 . 1 1 39 39 LYS HE3 H 1 2.911 0.030 . 1 . . . . 39 LYS HE3 . 11239 1
382 . 1 1 39 39 LYS HG2 H 1 1.371 0.030 . 1 . . . . 39 LYS HG2 . 11239 1
383 . 1 1 39 39 LYS HG3 H 1 1.371 0.030 . 1 . . . . 39 LYS HG3 . 11239 1
384 . 1 1 39 39 LYS C C 13 171.343 0.300 . 1 . . . . 39 LYS C . 11239 1
385 . 1 1 39 39 LYS CA C 13 51.431 0.300 . 1 . . . . 39 LYS CA . 11239 1
386 . 1 1 39 39 LYS CB C 13 29.909 0.300 . 1 . . . . 39 LYS CB . 11239 1
387 . 1 1 39 39 LYS CD C 13 26.491 0.300 . 1 . . . . 39 LYS CD . 11239 1
388 . 1 1 39 39 LYS CE C 13 39.568 0.300 . 1 . . . . 39 LYS CE . 11239 1
389 . 1 1 39 39 LYS CG C 13 21.885 0.300 . 1 . . . . 39 LYS CG . 11239 1
390 . 1 1 39 39 LYS N N 15 123.617 0.300 . 1 . . . . 39 LYS N . 11239 1
391 . 1 1 40 40 PRO HA H 1 4.373 0.030 . 1 . . . . 40 PRO HA . 11239 1
392 . 1 1 40 40 PRO HB2 H 1 1.851 0.030 . 2 . . . . 40 PRO HB2 . 11239 1
393 . 1 1 40 40 PRO HB3 H 1 2.213 0.030 . 2 . . . . 40 PRO HB3 . 11239 1
394 . 1 1 40 40 PRO HD2 H 1 3.553 0.030 . 2 . . . . 40 PRO HD2 . 11239 1
395 . 1 1 40 40 PRO HD3 H 1 3.724 0.030 . 2 . . . . 40 PRO HD3 . 11239 1
396 . 1 1 40 40 PRO HG2 H 1 1.909 0.030 . 2 . . . . 40 PRO HG2 . 11239 1
397 . 1 1 40 40 PRO HG3 H 1 1.943 0.030 . 2 . . . . 40 PRO HG3 . 11239 1
398 . 1 1 40 40 PRO C C 13 174.409 0.300 . 1 . . . . 40 PRO C . 11239 1
399 . 1 1 40 40 PRO CA C 13 60.564 0.300 . 1 . . . . 40 PRO CA . 11239 1
400 . 1 1 40 40 PRO CB C 13 29.480 0.300 . 1 . . . . 40 PRO CB . 11239 1
401 . 1 1 40 40 PRO CD C 13 47.956 0.300 . 1 . . . . 40 PRO CD . 11239 1
402 . 1 1 40 40 PRO CG C 13 24.782 0.300 . 1 . . . . 40 PRO CG . 11239 1
403 . 1 1 41 41 SER H H 1 8.371 0.030 . 1 . . . . 41 SER H . 11239 1
404 . 1 1 41 41 SER HA H 1 4.378 0.030 . 1 . . . . 41 SER HA . 11239 1
405 . 1 1 41 41 SER HB2 H 1 3.789 0.030 . 1 . . . . 41 SER HB2 . 11239 1
406 . 1 1 41 41 SER HB3 H 1 3.789 0.030 . 1 . . . . 41 SER HB3 . 11239 1
407 . 1 1 41 41 SER C C 13 172.076 0.300 . 1 . . . . 41 SER C . 11239 1
408 . 1 1 41 41 SER CA C 13 55.670 0.300 . 1 . . . . 41 SER CA . 11239 1
409 . 1 1 41 41 SER CB C 13 61.396 0.300 . 1 . . . . 41 SER CB . 11239 1
410 . 1 1 41 41 SER N N 15 116.330 0.300 . 1 . . . . 41 SER N . 11239 1
411 . 1 1 42 42 GLY H H 1 8.116 0.030 . 1 . . . . 42 GLY H . 11239 1
412 . 1 1 42 42 GLY HA2 H 1 4.069 0.030 . 2 . . . . 42 GLY HA2 . 11239 1
413 . 1 1 42 42 GLY HA3 H 1 4.017 0.030 . 2 . . . . 42 GLY HA3 . 11239 1
414 . 1 1 42 42 GLY C C 13 169.218 0.300 . 1 . . . . 42 GLY C . 11239 1
415 . 1 1 42 42 GLY CA C 13 42.034 0.300 . 1 . . . . 42 GLY CA . 11239 1
416 . 1 1 42 42 GLY N N 15 110.522 0.300 . 1 . . . . 42 GLY N . 11239 1
417 . 1 1 43 43 PRO HA H 1 4.383 0.030 . 1 . . . . 43 PRO HA . 11239 1
418 . 1 1 43 43 PRO HB2 H 1 1.903 0.030 . 2 . . . . 43 PRO HB2 . 11239 1
419 . 1 1 43 43 PRO HB3 H 1 2.202 0.030 . 2 . . . . 43 PRO HB3 . 11239 1
420 . 1 1 43 43 PRO HD2 H 1 3.536 0.030 . 1 . . . . 43 PRO HD2 . 11239 1
421 . 1 1 43 43 PRO HD3 H 1 3.536 0.030 . 1 . . . . 43 PRO HD3 . 11239 1
422 . 1 1 43 43 PRO HG2 H 1 1.926 0.030 . 1 . . . . 43 PRO HG2 . 11239 1
423 . 1 1 43 43 PRO HG3 H 1 1.926 0.030 . 1 . . . . 43 PRO HG3 . 11239 1
424 . 1 1 43 43 PRO CA C 13 60.671 0.300 . 1 . . . . 43 PRO CA . 11239 1
425 . 1 1 43 43 PRO CB C 13 29.499 0.300 . 1 . . . . 43 PRO CB . 11239 1
426 . 1 1 43 43 PRO CD C 13 47.167 0.300 . 1 . . . . 43 PRO CD . 11239 1
427 . 1 1 43 43 PRO CG C 13 24.544 0.300 . 1 . . . . 43 PRO CG . 11239 1
428 . 1 1 44 44 SER HA H 1 4.419 0.030 . 1 . . . . 44 SER HA . 11239 1
429 . 1 1 44 44 SER HB2 H 1 3.812 0.030 . 1 . . . . 44 SER HB2 . 11239 1
430 . 1 1 44 44 SER HB3 H 1 3.812 0.030 . 1 . . . . 44 SER HB3 . 11239 1
431 . 1 1 44 44 SER C C 13 172.048 0.300 . 1 . . . . 44 SER C . 11239 1
432 . 1 1 44 44 SER CA C 13 55.923 0.300 . 1 . . . . 44 SER CA . 11239 1
433 . 1 1 44 44 SER CB C 13 61.241 0.300 . 1 . . . . 44 SER CB . 11239 1
434 . 1 1 45 45 SER H H 1 8.219 0.030 . 1 . . . . 45 SER H . 11239 1
435 . 1 1 45 45 SER HA H 1 4.480 0.030 . 1 . . . . 45 SER HA . 11239 1
436 . 1 1 45 45 SER HB2 H 1 3.800 0.030 . 1 . . . . 45 SER HB2 . 11239 1
437 . 1 1 45 45 SER HB3 H 1 3.800 0.030 . 1 . . . . 45 SER HB3 . 11239 1
438 . 1 1 45 45 SER C C 13 171.313 0.300 . 1 . . . . 45 SER C . 11239 1
439 . 1 1 45 45 SER CA C 13 55.642 0.300 . 1 . . . . 45 SER CA . 11239 1
440 . 1 1 45 45 SER CB C 13 61.288 0.300 . 1 . . . . 45 SER CB . 11239 1
441 . 1 1 45 45 SER N N 15 117.721 0.300 . 1 . . . . 45 SER N . 11239 1
442 . 1 1 46 46 GLY H H 1 7.935 0.030 . 1 . . . . 46 GLY H . 11239 1
443 . 1 1 46 46 GLY HA2 H 1 3.660 0.030 . 2 . . . . 46 GLY HA2 . 11239 1
444 . 1 1 46 46 GLY HA3 H 1 3.709 0.030 . 2 . . . . 46 GLY HA3 . 11239 1
445 . 1 1 46 46 GLY C C 13 176.360 0.300 . 1 . . . . 46 GLY C . 11239 1
446 . 1 1 46 46 GLY CA C 13 43.623 0.300 . 1 . . . . 46 GLY CA . 11239 1
447 . 1 1 46 46 GLY N N 15 116.763 0.300 . 1 . . . . 46 GLY N . 11239 1
stop_
save_