Content for NMR-STAR saveframe, assigned_chemical_shifts_1
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 53700
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name rJarc
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err 0.05
_Assigned_chem_shift_list.Chem_shift_13C_err 0.3
_Assigned_chem_shift_list.Chem_shift_15N_err 0.4
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 53700 1
2 '2D 1H-13C HSQC' . . . 53700 1
3 '3D HNCO' . . . 53700 1
4 '3D HNCACB' . . . 53700 1
5 '3D CBCA(CO)NH' . . . 53700 1
6 '3D HBHA(CO)NH' . . . 53700 1
7 '3D HCCH-TOCSY' . . . 53700 1
8 '3D (H)CCH-TOCSY' . . . 53700 1
9 '3D 1H-13C NOESY aliphatic' . . . 53700 1
10 '3D 1H-15N NOESY' . . . 53700 1
11 '3D 1H-15N NOESY' . . . 53700 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 $software_1 . . 53700 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 1 1 GLU C C 13 174.213 0.000 . 1 . . . . . 1 GLU C . 53700 1
2 . 1 . 1 2 2 ALA H H 1 7.416 0.010 . 1 . . . . . 2 ALA H . 53700 1
3 . 1 . 1 2 2 ALA HA H 1 3.679 0.021 . 1 . . . . . 2 ALA HA . 53700 1
4 . 1 . 1 2 2 ALA HB1 H 1 1.245 0.016 . 1 . . . . . 2 ALA HB1 . 53700 1
5 . 1 . 1 2 2 ALA HB2 H 1 1.245 0.016 . 1 . . . . . 2 ALA HB2 . 53700 1
6 . 1 . 1 2 2 ALA HB3 H 1 1.245 0.016 . 1 . . . . . 2 ALA HB3 . 53700 1
7 . 1 . 1 2 2 ALA C C 13 179.757 0.000 . 1 . . . . . 2 ALA C . 53700 1
8 . 1 . 1 2 2 ALA CA C 13 52.708 0.029 . 1 . . . . . 2 ALA CA . 53700 1
9 . 1 . 1 2 2 ALA CB C 13 18.367 0.073 . 1 . . . . . 2 ALA CB . 53700 1
10 . 1 . 1 2 2 ALA N N 15 120.977 0.047 . 1 . . . . . 2 ALA N . 53700 1
11 . 1 . 1 3 3 GLY H H 1 8.562 0.007 . 1 . . . . . 3 GLY H . 53700 1
12 . 1 . 1 3 3 GLY HA2 H 1 4.040 0.018 . 2 . . . . . 3 GLY HA2 . 53700 1
13 . 1 . 1 3 3 GLY HA3 H 1 3.966 0.003 . 2 . . . . . 3 GLY HA3 . 53700 1
14 . 1 . 1 3 3 GLY C C 13 174.446 0.000 . 1 . . . . . 3 GLY C . 53700 1
15 . 1 . 1 3 3 GLY CA C 13 45.303 0.017 . 1 . . . . . 3 GLY CA . 53700 1
16 . 1 . 1 3 3 GLY N N 15 109.897 0.042 . 1 . . . . . 3 GLY N . 53700 1
17 . 1 . 1 4 4 GLU H H 1 8.196 0.008 . 1 . . . . . 4 GLU H . 53700 1
18 . 1 . 1 4 4 GLU HA H 1 4.303 0.028 . 1 . . . . . 4 GLU HA . 53700 1
19 . 1 . 1 4 4 GLU HB2 H 1 2.038 0.002 . 2 . . . . . 4 GLU HB2 . 53700 1
20 . 1 . 1 4 4 GLU HB3 H 1 1.927 0.019 . 2 . . . . . 4 GLU HB3 . 53700 1
21 . 1 . 1 4 4 GLU HG2 H 1 2.272 0.014 . 1 . . . . . 4 GLU HG2 . 53700 1
22 . 1 . 1 4 4 GLU HG3 H 1 2.272 0.014 . 1 . . . . . 4 GLU HG3 . 53700 1
23 . 1 . 1 4 4 GLU C C 13 176.421 0.000 . 1 . . . . . 4 GLU C . 53700 1
24 . 1 . 1 4 4 GLU CA C 13 56.555 0.028 . 1 . . . . . 4 GLU CA . 53700 1
25 . 1 . 1 4 4 GLU CB C 13 30.588 0.097 . 1 . . . . . 4 GLU CB . 53700 1
26 . 1 . 1 4 4 GLU CG C 13 36.252 0.000 . 1 . . . . . 4 GLU CG . 53700 1
27 . 1 . 1 4 4 GLU N N 15 120.249 0.017 . 1 . . . . . 4 GLU N . 53700 1
28 . 1 . 1 5 5 GLU H H 1 8.630 0.006 . 1 . . . . . 5 GLU H . 53700 1
29 . 1 . 1 5 5 GLU HA H 1 4.254 0.032 . 1 . . . . . 5 GLU HA . 53700 1
30 . 1 . 1 5 5 GLU HB2 H 1 2.039 0.010 . 2 . . . . . 5 GLU HB2 . 53700 1
31 . 1 . 1 5 5 GLU HB3 H 1 1.940 0.008 . 2 . . . . . 5 GLU HB3 . 53700 1
32 . 1 . 1 5 5 GLU HG2 H 1 2.274 0.011 . 1 . . . . . 5 GLU HG2 . 53700 1
33 . 1 . 1 5 5 GLU HG3 H 1 2.274 0.011 . 1 . . . . . 5 GLU HG3 . 53700 1
34 . 1 . 1 5 5 GLU C C 13 176.226 0.000 . 1 . . . . . 5 GLU C . 53700 1
35 . 1 . 1 5 5 GLU CA C 13 56.258 0.155 . 1 . . . . . 5 GLU CA . 53700 1
36 . 1 . 1 5 5 GLU CB C 13 29.885 0.025 . 1 . . . . . 5 GLU CB . 53700 1
37 . 1 . 1 5 5 GLU CG C 13 36.425 0.000 . 1 . . . . . 5 GLU CG . 53700 1
38 . 1 . 1 5 5 GLU N N 15 121.291 0.004 . 1 . . . . . 5 GLU N . 53700 1
39 . 1 . 1 6 6 CYS H H 1 8.244 0.017 . 1 . . . . . 6 CYS H . 53700 1
40 . 1 . 1 6 6 CYS HA H 1 4.766 0.040 . 1 . . . . . 6 CYS HA . 53700 1
41 . 1 . 1 6 6 CYS HB2 H 1 2.663 0.021 . 2 . . . . . 6 CYS HB2 . 53700 1
42 . 1 . 1 6 6 CYS HB3 H 1 3.808 0.004 . 2 . . . . . 6 CYS HB3 . 53700 1
43 . 1 . 1 6 6 CYS C C 13 176.020 0.000 . 1 . . . . . 6 CYS C . 53700 1
44 . 1 . 1 6 6 CYS CA C 13 53.687 0.018 . 1 . . . . . 6 CYS CA . 53700 1
45 . 1 . 1 6 6 CYS CB C 13 37.972 0.104 . 1 . . . . . 6 CYS CB . 53700 1
46 . 1 . 1 6 6 CYS N N 15 119.574 0.057 . 1 . . . . . 6 CYS N . 53700 1
47 . 1 . 1 7 7 ASP H H 1 8.658 0.010 . 1 . . . . . 7 ASP H . 53700 1
48 . 1 . 1 7 7 ASP HA H 1 4.730 0.030 . 1 . . . . . 7 ASP HA . 53700 1
49 . 1 . 1 7 7 ASP HB2 H 1 2.626 0.009 . 1 . . . . . 7 ASP HB2 . 53700 1
50 . 1 . 1 7 7 ASP HB3 H 1 2.626 0.009 . 1 . . . . . 7 ASP HB3 . 53700 1
51 . 1 . 1 7 7 ASP C C 13 175.803 0.000 . 1 . . . . . 7 ASP C . 53700 1
52 . 1 . 1 7 7 ASP CA C 13 56.167 0.067 . 1 . . . . . 7 ASP CA . 53700 1
53 . 1 . 1 7 7 ASP CB C 13 42.063 0.093 . 1 . . . . . 7 ASP CB . 53700 1
54 . 1 . 1 7 7 ASP N N 15 120.580 0.019 . 1 . . . . . 7 ASP N . 53700 1
55 . 1 . 1 8 8 CYS H H 1 7.075 0.016 . 1 . . . . . 8 CYS H . 53700 1
56 . 1 . 1 8 8 CYS HA H 1 4.661 0.016 . 1 . . . . . 8 CYS HA . 53700 1
57 . 1 . 1 8 8 CYS HB2 H 1 3.238 0.019 . 2 . . . . . 8 CYS HB2 . 53700 1
58 . 1 . 1 8 8 CYS HB3 H 1 2.901 0.013 . 2 . . . . . 8 CYS HB3 . 53700 1
59 . 1 . 1 8 8 CYS CA C 13 57.078 0.052 . 1 . . . . . 8 CYS CA . 53700 1
60 . 1 . 1 8 8 CYS CB C 13 44.930 0.020 . 1 . . . . . 8 CYS CB . 53700 1
61 . 1 . 1 8 8 CYS N N 15 114.307 0.017 . 1 . . . . . 8 CYS N . 53700 1
62 . 1 . 1 9 9 GLY H H 1 8.416 0.007 . 1 . . . . . 9 GLY H . 53700 1
63 . 1 . 1 9 9 GLY HA2 H 1 3.811 0.037 . 2 . . . . . 9 GLY HA2 . 53700 1
64 . 1 . 1 9 9 GLY HA3 H 1 3.962 0.030 . 2 . . . . . 9 GLY HA3 . 53700 1
65 . 1 . 1 9 9 GLY C C 13 173.627 0.000 . 1 . . . . . 9 GLY C . 53700 1
66 . 1 . 1 9 9 GLY CA C 13 45.710 0.049 . 1 . . . . . 9 GLY CA . 53700 1
67 . 1 . 1 9 9 GLY N N 15 107.487 0.025 . 1 . . . . . 9 GLY N . 53700 1
68 . 1 . 1 10 10 THR H H 1 7.644 0.005 . 1 . . . . . 10 THR H . 53700 1
69 . 1 . 1 10 10 THR HA H 1 4.359 0.004 . 1 . . . . . 10 THR HA . 53700 1
70 . 1 . 1 10 10 THR HB H 1 4.241 0.039 . 1 . . . . . 10 THR HB . 53700 1
71 . 1 . 1 10 10 THR HG21 H 1 1.216 0.013 . 1 . . . . . 10 THR HG21 . 53700 1
72 . 1 . 1 10 10 THR HG22 H 1 1.216 0.013 . 1 . . . . . 10 THR HG22 . 53700 1
73 . 1 . 1 10 10 THR HG23 H 1 1.216 0.013 . 1 . . . . . 10 THR HG23 . 53700 1
74 . 1 . 1 10 10 THR CA C 13 62.028 0.000 . 1 . . . . . 10 THR CA . 53700 1
75 . 1 . 1 10 10 THR CB C 13 69.769 0.000 . 1 . . . . . 10 THR CB . 53700 1
76 . 1 . 1 10 10 THR CG2 C 13 21.671 0.033 . 1 . . . . . 10 THR CG2 . 53700 1
77 . 1 . 1 10 10 THR N N 15 113.500 0.016 . 1 . . . . . 10 THR N . 53700 1
78 . 1 . 1 12 12 GLY HA2 H 1 3.975 0.002 . 1 . . . . . 12 GLY HA2 . 53700 1
79 . 1 . 1 12 12 GLY HA3 H 1 3.976 0.002 . 1 . . . . . 12 GLY HA3 . 53700 1
80 . 1 . 1 12 12 GLY C C 13 174.308 0.000 . 1 . . . . . 12 GLY C . 53700 1
81 . 1 . 1 12 12 GLY CA C 13 45.400 0.015 . 1 . . . . . 12 GLY CA . 53700 1
82 . 1 . 1 13 13 ASN H H 1 7.974 0.022 . 1 . . . . . 13 ASN H . 53700 1
83 . 1 . 1 13 13 ASN HA H 1 4.928 0.000 . 1 . . . . . 13 ASN HA . 53700 1
84 . 1 . 1 13 13 ASN HB2 H 1 2.728 0.045 . 1 . . . . . 13 ASN HB2 . 53700 1
85 . 1 . 1 13 13 ASN HB3 H 1 2.728 0.045 . 1 . . . . . 13 ASN HB3 . 53700 1
86 . 1 . 1 13 13 ASN CA C 13 51.232 0.154 . 1 . . . . . 13 ASN CA . 53700 1
87 . 1 . 1 13 13 ASN CB C 13 39.461 0.028 . 1 . . . . . 13 ASN CB . 53700 1
88 . 1 . 1 13 13 ASN N N 15 122.140 0.018 . 1 . . . . . 13 ASN N . 53700 1
89 . 1 . 1 15 15 CYS H H 1 8.851 0.010 . 1 . . . . . 15 CYS H . 53700 1
90 . 1 . 1 15 15 CYS HA H 1 4.624 0.007 . 1 . . . . . 15 CYS HA . 53700 1
91 . 1 . 1 15 15 CYS HB2 H 1 3.192 0.033 . 2 . . . . . 15 CYS HB2 . 53700 1
92 . 1 . 1 15 15 CYS HB3 H 1 2.454 0.028 . 2 . . . . . 15 CYS HB3 . 53700 1
93 . 1 . 1 15 15 CYS C C 13 174.458 0.000 . 1 . . . . . 15 CYS C . 53700 1
94 . 1 . 1 15 15 CYS CA C 13 54.145 0.004 . 1 . . . . . 15 CYS CA . 53700 1
95 . 1 . 1 15 15 CYS CB C 13 36.269 0.023 . 1 . . . . . 15 CYS CB . 53700 1
96 . 1 . 1 15 15 CYS N N 15 117.339 0.031 . 1 . . . . . 15 CYS N . 53700 1
97 . 1 . 1 16 16 CYS H H 1 7.754 0.025 . 1 . . . . . 16 CYS H . 53700 1
98 . 1 . 1 16 16 CYS HA H 1 4.918 0.034 . 1 . . . . . 16 CYS HA . 53700 1
99 . 1 . 1 16 16 CYS HB2 H 1 2.775 0.022 . 2 . . . . . 16 CYS HB2 . 53700 1
100 . 1 . 1 16 16 CYS HB3 H 1 3.022 0.005 . 2 . . . . . 16 CYS HB3 . 53700 1
101 . 1 . 1 16 16 CYS C C 13 173.628 0.000 . 1 . . . . . 16 CYS C . 53700 1
102 . 1 . 1 16 16 CYS CA C 13 56.813 0.087 . 1 . . . . . 16 CYS CA . 53700 1
103 . 1 . 1 16 16 CYS CB C 13 48.065 0.037 . 1 . . . . . 16 CYS CB . 53700 1
104 . 1 . 1 16 16 CYS N N 15 113.719 0.057 . 1 . . . . . 16 CYS N . 53700 1
105 . 1 . 1 17 17 ASP H H 1 8.267 0.019 . 1 . . . . . 17 ASP H . 53700 1
106 . 1 . 1 17 17 ASP HA H 1 4.526 0.010 . 1 . . . . . 17 ASP HA . 53700 1
107 . 1 . 1 17 17 ASP HB2 H 1 3.125 0.033 . 2 . . . . . 17 ASP HB2 . 53700 1
108 . 1 . 1 17 17 ASP HB3 H 1 2.422 0.027 . 2 . . . . . 17 ASP HB3 . 53700 1
109 . 1 . 1 17 17 ASP C C 13 177.322 0.000 . 1 . . . . . 17 ASP C . 53700 1
110 . 1 . 1 17 17 ASP CA C 13 53.741 0.031 . 1 . . . . . 17 ASP CA . 53700 1
111 . 1 . 1 17 17 ASP CB C 13 42.359 0.029 . 1 . . . . . 17 ASP CB . 53700 1
112 . 1 . 1 17 17 ASP N N 15 121.575 0.039 . 1 . . . . . 17 ASP N . 53700 1
113 . 1 . 1 18 18 ALA H H 1 8.986 0.006 . 1 . . . . . 18 ALA H . 53700 1
114 . 1 . 1 18 18 ALA HA H 1 4.043 0.013 . 1 . . . . . 18 ALA HA . 53700 1
115 . 1 . 1 18 18 ALA HB1 H 1 1.488 0.019 . 1 . . . . . 18 ALA HB1 . 53700 1
116 . 1 . 1 18 18 ALA HB2 H 1 1.488 0.019 . 1 . . . . . 18 ALA HB2 . 53700 1
117 . 1 . 1 18 18 ALA HB3 H 1 1.488 0.019 . 1 . . . . . 18 ALA HB3 . 53700 1
118 . 1 . 1 18 18 ALA CA C 13 54.823 0.057 . 1 . . . . . 18 ALA CA . 53700 1
119 . 1 . 1 18 18 ALA CB C 13 18.501 0.141 . 1 . . . . . 18 ALA CB . 53700 1
120 . 1 . 1 18 18 ALA N N 15 130.672 0.000 . 1 . . . . . 18 ALA N . 53700 1
121 . 1 . 1 19 19 ALA H H 1 8.672 0.017 . 1 . . . . . 19 ALA H . 53700 1
122 . 1 . 1 19 19 ALA HA H 1 4.333 0.006 . 1 . . . . . 19 ALA HA . 53700 1
123 . 1 . 1 19 19 ALA HB1 H 1 1.490 0.013 . 1 . . . . . 19 ALA HB1 . 53700 1
124 . 1 . 1 19 19 ALA HB2 H 1 1.490 0.013 . 1 . . . . . 19 ALA HB2 . 53700 1
125 . 1 . 1 19 19 ALA HB3 H 1 1.490 0.013 . 1 . . . . . 19 ALA HB3 . 53700 1
126 . 1 . 1 19 19 ALA C C 13 179.327 0.000 . 1 . . . . . 19 ALA C . 53700 1
127 . 1 . 1 19 19 ALA CA C 13 53.787 0.022 . 1 . . . . . 19 ALA CA . 53700 1
128 . 1 . 1 19 19 ALA CB C 13 19.537 0.109 . 1 . . . . . 19 ALA CB . 53700 1
129 . 1 . 1 19 19 ALA N N 15 117.911 0.006 . 1 . . . . . 19 ALA N . 53700 1
130 . 1 . 1 20 20 THR H H 1 7.621 0.008 . 1 . . . . . 20 THR H . 53700 1
131 . 1 . 1 20 20 THR HA H 1 4.415 0.031 . 1 . . . . . 20 THR HA . 53700 1
132 . 1 . 1 20 20 THR HB H 1 4.211 0.035 . 1 . . . . . 20 THR HB . 53700 1
133 . 1 . 1 20 20 THR HG21 H 1 1.271 0.034 . 1 . . . . . 20 THR HG21 . 53700 1
134 . 1 . 1 20 20 THR HG22 H 1 1.271 0.034 . 1 . . . . . 20 THR HG22 . 53700 1
135 . 1 . 1 20 20 THR HG23 H 1 1.271 0.034 . 1 . . . . . 20 THR HG23 . 53700 1
136 . 1 . 1 20 20 THR C C 13 175.755 0.000 . 1 . . . . . 20 THR C . 53700 1
137 . 1 . 1 20 20 THR CA C 13 61.304 0.040 . 1 . . . . . 20 THR CA . 53700 1
138 . 1 . 1 20 20 THR CB C 13 70.560 0.361 . 1 . . . . . 20 THR CB . 53700 1
139 . 1 . 1 20 20 THR CG2 C 13 21.756 0.000 . 1 . . . . . 20 THR CG2 . 53700 1
140 . 1 . 1 20 20 THR N N 15 105.573 0.057 . 1 . . . . . 20 THR N . 53700 1
141 . 1 . 1 21 21 CYS H H 1 8.428 0.015 . 1 . . . . . 21 CYS H . 53700 1
142 . 1 . 1 21 21 CYS HA H 1 4.604 0.016 . 1 . . . . . 21 CYS HA . 53700 1
143 . 1 . 1 21 21 CYS HB2 H 1 3.765 0.033 . 2 . . . . . 21 CYS HB2 . 53700 1
144 . 1 . 1 21 21 CYS HB3 H 1 3.364 0.004 . 2 . . . . . 21 CYS HB3 . 53700 1
145 . 1 . 1 21 21 CYS CA C 13 56.964 0.000 . 1 . . . . . 21 CYS CA . 53700 1
146 . 1 . 1 21 21 CYS CB C 13 45.385 0.065 . 1 . . . . . 21 CYS CB . 53700 1
147 . 1 . 1 21 21 CYS N N 15 118.440 0.026 . 1 . . . . . 21 CYS N . 53700 1
148 . 1 . 1 23 23 LEU HA H 1 3.773 0.000 . 1 . . . . . 23 LEU HA . 53700 1
149 . 1 . 1 23 23 LEU HB2 H 1 1.620 0.000 . 2 . . . . . 23 LEU HB2 . 53700 1
150 . 1 . 1 23 23 LEU HB3 H 1 1.556 0.000 . 2 . . . . . 23 LEU HB3 . 53700 1
151 . 1 . 1 23 23 LEU HG H 1 1.615 0.000 . 1 . . . . . 23 LEU HG . 53700 1
152 . 1 . 1 23 23 LEU HD11 H 1 0.909 0.000 . 2 . . . . . 23 LEU HD11 . 53700 1
153 . 1 . 1 23 23 LEU HD12 H 1 0.909 0.000 . 2 . . . . . 23 LEU HD12 . 53700 1
154 . 1 . 1 23 23 LEU HD13 H 1 0.909 0.000 . 2 . . . . . 23 LEU HD13 . 53700 1
155 . 1 . 1 23 23 LEU HD21 H 1 0.853 0.000 . 2 . . . . . 23 LEU HD21 . 53700 1
156 . 1 . 1 23 23 LEU HD22 H 1 0.853 0.000 . 2 . . . . . 23 LEU HD22 . 53700 1
157 . 1 . 1 23 23 LEU HD23 H 1 0.853 0.000 . 2 . . . . . 23 LEU HD23 . 53700 1
158 . 1 . 1 23 23 LEU CA C 13 56.259 0.000 . 1 . . . . . 23 LEU CA . 53700 1
159 . 1 . 1 23 23 LEU CB C 13 42.318 0.014 . 1 . . . . . 23 LEU CB . 53700 1
160 . 1 . 1 23 23 LEU CG C 13 27.184 0.000 . 1 . . . . . 23 LEU CG . 53700 1
161 . 1 . 1 23 23 LEU CD1 C 13 25.039 0.000 . 2 . . . . . 23 LEU CD1 . 53700 1
162 . 1 . 1 23 23 LEU CD2 C 13 23.532 0.000 . 2 . . . . . 23 LEU CD2 . 53700 1
163 . 1 . 1 26 26 GLY HA2 H 1 4.213 0.007 . 2 . . . . . 26 GLY HA2 . 53700 1
164 . 1 . 1 26 26 GLY HA3 H 1 3.619 0.015 . 2 . . . . . 26 GLY HA3 . 53700 1
165 . 1 . 1 26 26 GLY CA C 13 45.302 0.043 . 1 . . . . . 26 GLY CA . 53700 1
166 . 1 . 1 27 27 ALA H H 1 7.980 0.007 . 1 . . . . . 27 ALA H . 53700 1
167 . 1 . 1 27 27 ALA HA H 1 4.529 0.012 . 1 . . . . . 27 ALA HA . 53700 1
168 . 1 . 1 27 27 ALA HB1 H 1 1.570 0.028 . 1 . . . . . 27 ALA HB1 . 53700 1
169 . 1 . 1 27 27 ALA HB2 H 1 1.570 0.028 . 1 . . . . . 27 ALA HB2 . 53700 1
170 . 1 . 1 27 27 ALA HB3 H 1 1.570 0.028 . 1 . . . . . 27 ALA HB3 . 53700 1
171 . 1 . 1 27 27 ALA C C 13 177.099 0.000 . 1 . . . . . 27 ALA C . 53700 1
172 . 1 . 1 27 27 ALA CA C 13 51.763 0.007 . 1 . . . . . 27 ALA CA . 53700 1
173 . 1 . 1 27 27 ALA CB C 13 21.149 0.031 . 1 . . . . . 27 ALA CB . 53700 1
174 . 1 . 1 27 27 ALA N N 15 123.259 0.029 . 1 . . . . . 27 ALA N . 53700 1
175 . 1 . 1 28 28 GLN H H 1 8.888 0.014 . 1 . . . . . 28 GLN H . 53700 1
176 . 1 . 1 28 28 GLN HA H 1 4.065 0.007 . 1 . . . . . 28 GLN HA . 53700 1
177 . 1 . 1 28 28 GLN HB2 H 1 0.989 0.004 . 2 . . . . . 28 GLN HB2 . 53700 1
178 . 1 . 1 28 28 GLN HB3 H 1 0.513 0.017 . 2 . . . . . 28 GLN HB3 . 53700 1
179 . 1 . 1 28 28 GLN HG2 H 1 2.002 0.007 . 1 . . . . . 28 GLN HG2 . 53700 1
180 . 1 . 1 28 28 GLN HG3 H 1 2.002 0.007 . 1 . . . . . 28 GLN HG3 . 53700 1
181 . 1 . 1 28 28 GLN HE21 H 1 7.009 0.012 . 1 . . . . . 28 GLN HE21 . 53700 1
182 . 1 . 1 28 28 GLN HE22 H 1 7.726 0.022 . 1 . . . . . 28 GLN HE22 . 53700 1
183 . 1 . 1 28 28 GLN C C 13 174.478 0.000 . 1 . . . . . 28 GLN C . 53700 1
184 . 1 . 1 28 28 GLN CA C 13 55.257 0.013 . 1 . . . . . 28 GLN CA . 53700 1
185 . 1 . 1 28 28 GLN CB C 13 30.106 0.022 . 1 . . . . . 28 GLN CB . 53700 1
186 . 1 . 1 28 28 GLN CG C 13 34.207 0.001 . 1 . . . . . 28 GLN CG . 53700 1
187 . 1 . 1 28 28 GLN N N 15 117.244 0.104 . 1 . . . . . 28 GLN N . 53700 1
188 . 1 . 1 28 28 GLN NE2 N 15 114.289 0.023 . 1 . . . . . 28 GLN NE2 . 53700 1
189 . 1 . 1 29 29 CYS H H 1 7.738 0.014 . 1 . . . . . 29 CYS H . 53700 1
190 . 1 . 1 29 29 CYS HA H 1 4.525 0.019 . 1 . . . . . 29 CYS HA . 53700 1
191 . 1 . 1 29 29 CYS HB2 H 1 3.172 0.015 . 2 . . . . . 29 CYS HB2 . 53700 1
192 . 1 . 1 29 29 CYS HB3 H 1 3.089 0.017 . 2 . . . . . 29 CYS HB3 . 53700 1
193 . 1 . 1 29 29 CYS CA C 13 53.453 0.007 . 1 . . . . . 29 CYS CA . 53700 1
194 . 1 . 1 29 29 CYS CB C 13 45.431 0.077 . 1 . . . . . 29 CYS CB . 53700 1
195 . 1 . 1 29 29 CYS N N 15 113.472 0.138 . 1 . . . . . 29 CYS N . 53700 1
196 . 1 . 1 30 30 ALA H H 1 8.948 0.009 . 1 . . . . . 30 ALA H . 53700 1
197 . 1 . 1 30 30 ALA HA H 1 4.477 0.027 . 1 . . . . . 30 ALA HA . 53700 1
198 . 1 . 1 30 30 ALA HB1 H 1 1.305 0.020 . 1 . . . . . 30 ALA HB1 . 53700 1
199 . 1 . 1 30 30 ALA HB2 H 1 1.305 0.020 . 1 . . . . . 30 ALA HB2 . 53700 1
200 . 1 . 1 30 30 ALA HB3 H 1 1.305 0.020 . 1 . . . . . 30 ALA HB3 . 53700 1
201 . 1 . 1 30 30 ALA C C 13 176.517 0.000 . 1 . . . . . 30 ALA C . 53700 1
202 . 1 . 1 30 30 ALA CA C 13 52.211 0.027 . 1 . . . . . 30 ALA CA . 53700 1
203 . 1 . 1 30 30 ALA CB C 13 23.513 0.047 . 1 . . . . . 30 ALA CB . 53700 1
204 . 1 . 1 30 30 ALA N N 15 119.050 0.034 . 1 . . . . . 30 ALA N . 53700 1
205 . 1 . 1 31 31 GLU H H 1 7.704 0.006 . 1 . . . . . 31 GLU H . 53700 1
206 . 1 . 1 31 31 GLU HA H 1 4.587 0.024 . 1 . . . . . 31 GLU HA . 53700 1
207 . 1 . 1 31 31 GLU HB2 H 1 2.188 0.022 . 2 . . . . . 31 GLU HB2 . 53700 1
208 . 1 . 1 31 31 GLU HB3 H 1 1.948 0.012 . 2 . . . . . 31 GLU HB3 . 53700 1
209 . 1 . 1 31 31 GLU HG2 H 1 2.162 0.017 . 2 . . . . . 31 GLU HG2 . 53700 1
210 . 1 . 1 31 31 GLU HG3 H 1 2.070 0.001 . 2 . . . . . 31 GLU HG3 . 53700 1
211 . 1 . 1 31 31 GLU C C 13 174.486 0.000 . 1 . . . . . 31 GLU C . 53700 1
212 . 1 . 1 31 31 GLU CA C 13 54.589 0.045 . 1 . . . . . 31 GLU CA . 53700 1
213 . 1 . 1 31 31 GLU CB C 13 32.209 0.023 . 1 . . . . . 31 GLU CB . 53700 1
214 . 1 . 1 31 31 GLU CG C 13 34.816 0.004 . 1 . . . . . 31 GLU CG . 53700 1
215 . 1 . 1 31 31 GLU N N 15 114.563 0.103 . 1 . . . . . 31 GLU N . 53700 1
216 . 1 . 1 32 32 GLY H H 1 8.354 0.021 . 1 . . . . . 32 GLY H . 53700 1
217 . 1 . 1 32 32 GLY HA2 H 1 3.801 0.020 . 2 . . . . . 32 GLY HA2 . 53700 1
218 . 1 . 1 32 32 GLY HA3 H 1 3.863 0.015 . 2 . . . . . 32 GLY HA3 . 53700 1
219 . 1 . 1 32 32 GLY CA C 13 44.218 0.127 . 1 . . . . . 32 GLY CA . 53700 1
220 . 1 . 1 32 32 GLY N N 15 108.819 0.018 . 1 . . . . . 32 GLY N . 53700 1
221 . 1 . 1 33 33 LEU HA H 1 4.237 0.018 . 1 . . . . . 33 LEU HA . 53700 1
222 . 1 . 1 33 33 LEU HB2 H 1 1.773 0.002 . 2 . . . . . 33 LEU HB2 . 53700 1
223 . 1 . 1 33 33 LEU HB3 H 1 1.635 0.007 . 2 . . . . . 33 LEU HB3 . 53700 1
224 . 1 . 1 33 33 LEU HG H 1 1.917 0.006 . 1 . . . . . 33 LEU HG . 53700 1
225 . 1 . 1 33 33 LEU HD11 H 1 1.061 0.005 . 2 . . . . . 33 LEU HD11 . 53700 1
226 . 1 . 1 33 33 LEU HD12 H 1 1.061 0.005 . 2 . . . . . 33 LEU HD12 . 53700 1
227 . 1 . 1 33 33 LEU HD13 H 1 1.061 0.005 . 2 . . . . . 33 LEU HD13 . 53700 1
228 . 1 . 1 33 33 LEU HD21 H 1 1.066 0.002 . 2 . . . . . 33 LEU HD21 . 53700 1
229 . 1 . 1 33 33 LEU HD22 H 1 1.066 0.002 . 2 . . . . . 33 LEU HD22 . 53700 1
230 . 1 . 1 33 33 LEU HD23 H 1 1.066 0.002 . 2 . . . . . 33 LEU HD23 . 53700 1
231 . 1 . 1 33 33 LEU CA C 13 57.422 0.000 . 1 . . . . . 33 LEU CA . 53700 1
232 . 1 . 1 33 33 LEU CB C 13 43.993 0.041 . 1 . . . . . 33 LEU CB . 53700 1
233 . 1 . 1 33 33 LEU CG C 13 27.882 0.000 . 1 . . . . . 33 LEU CG . 53700 1
234 . 1 . 1 33 33 LEU CD1 C 13 25.262 0.000 . 2 . . . . . 33 LEU CD1 . 53700 1
235 . 1 . 1 33 33 LEU CD2 C 13 22.807 0.000 . 2 . . . . . 33 LEU CD2 . 53700 1
236 . 1 . 1 34 34 CYS H H 1 8.513 0.008 . 1 . . . . . 34 CYS H . 53700 1
237 . 1 . 1 34 34 CYS HB2 H 1 2.646 0.026 . 2 . . . . . 34 CYS HB2 . 53700 1
238 . 1 . 1 34 34 CYS HB3 H 1 3.828 0.014 . 2 . . . . . 34 CYS HB3 . 53700 1
239 . 1 . 1 34 34 CYS C C 13 172.884 0.000 . 1 . . . . . 34 CYS C . 53700 1
240 . 1 . 1 34 34 CYS CA C 13 55.776 0.020 . 1 . . . . . 34 CYS CA . 53700 1
241 . 1 . 1 34 34 CYS CB C 13 41.223 0.077 . 1 . . . . . 34 CYS CB . 53700 1
242 . 1 . 1 34 34 CYS N N 15 113.246 0.058 . 1 . . . . . 34 CYS N . 53700 1
243 . 1 . 1 35 35 CYS H H 1 7.767 0.007 . 1 . . . . . 35 CYS H . 53700 1
244 . 1 . 1 35 35 CYS HA H 1 5.135 0.004 . 1 . . . . . 35 CYS HA . 53700 1
245 . 1 . 1 35 35 CYS HB2 H 1 3.010 0.016 . 2 . . . . . 35 CYS HB2 . 53700 1
246 . 1 . 1 35 35 CYS HB3 H 1 2.502 0.016 . 2 . . . . . 35 CYS HB3 . 53700 1
247 . 1 . 1 35 35 CYS C C 13 172.866 0.000 . 1 . . . . . 35 CYS C . 53700 1
248 . 1 . 1 35 35 CYS CA C 13 54.957 0.066 . 1 . . . . . 35 CYS CA . 53700 1
249 . 1 . 1 35 35 CYS CB C 13 44.634 0.125 . 1 . . . . . 35 CYS CB . 53700 1
250 . 1 . 1 35 35 CYS N N 15 123.247 0.039 . 1 . . . . . 35 CYS N . 53700 1
251 . 1 . 1 36 36 ASP H H 1 9.622 0.006 . 1 . . . . . 36 ASP H . 53700 1
252 . 1 . 1 36 36 ASP HA H 1 4.866 0.007 . 1 . . . . . 36 ASP HA . 53700 1
253 . 1 . 1 36 36 ASP HB2 H 1 2.617 0.003 . 2 . . . . . 36 ASP HB2 . 53700 1
254 . 1 . 1 36 36 ASP HB3 H 1 2.329 0.002 . 2 . . . . . 36 ASP HB3 . 53700 1
255 . 1 . 1 36 36 ASP C C 13 175.476 0.000 . 1 . . . . . 36 ASP C . 53700 1
256 . 1 . 1 36 36 ASP CA C 13 53.692 0.116 . 1 . . . . . 36 ASP CA . 53700 1
257 . 1 . 1 36 36 ASP CB C 13 44.106 0.064 . 1 . . . . . 36 ASP CB . 53700 1
258 . 1 . 1 36 36 ASP N N 15 128.638 0.018 . 1 . . . . . 36 ASP N . 53700 1
259 . 1 . 1 37 37 GLN H H 1 9.282 0.014 . 1 . . . . . 37 GLN H . 53700 1
260 . 1 . 1 37 37 GLN HA H 1 3.897 0.015 . 1 . . . . . 37 GLN HA . 53700 1
261 . 1 . 1 37 37 GLN HB2 H 1 2.116 0.005 . 2 . . . . . 37 GLN HB2 . 53700 1
262 . 1 . 1 37 37 GLN HB3 H 1 2.026 0.005 . 2 . . . . . 37 GLN HB3 . 53700 1
263 . 1 . 1 37 37 GLN HG2 H 1 2.391 0.005 . 2 . . . . . 37 GLN HG2 . 53700 1
264 . 1 . 1 37 37 GLN HG3 H 1 2.222 0.009 . 2 . . . . . 37 GLN HG3 . 53700 1
265 . 1 . 1 37 37 GLN CA C 13 56.576 0.034 . 1 . . . . . 37 GLN CA . 53700 1
266 . 1 . 1 37 37 GLN CB C 13 26.660 0.038 . 1 . . . . . 37 GLN CB . 53700 1
267 . 1 . 1 37 37 GLN CG C 13 34.043 0.026 . 1 . . . . . 37 GLN CG . 53700 1
268 . 1 . 1 37 37 GLN N N 15 126.266 0.003 . 1 . . . . . 37 GLN N . 53700 1
269 . 1 . 1 38 38 CYS H H 1 8.446 0.007 . 1 . . . . . 38 CYS H . 53700 1
270 . 1 . 1 38 38 CYS HA H 1 4.580 0.032 . 1 . . . . . 38 CYS HA . 53700 1
271 . 1 . 1 38 38 CYS HB2 H 1 3.638 0.033 . 2 . . . . . 38 CYS HB2 . 53700 1
272 . 1 . 1 38 38 CYS HB3 H 1 3.281 0.039 . 2 . . . . . 38 CYS HB3 . 53700 1
273 . 1 . 1 38 38 CYS CA C 13 54.798 0.000 . 1 . . . . . 38 CYS CA . 53700 1
274 . 1 . 1 38 38 CYS CB C 13 35.221 0.005 . 1 . . . . . 38 CYS CB . 53700 1
275 . 1 . 1 38 38 CYS N N 15 105.771 0.002 . 1 . . . . . 38 CYS N . 53700 1
276 . 1 . 1 39 39 ARG H H 1 7.866 0.013 . 1 . . . . . 39 ARG H . 53700 1
277 . 1 . 1 39 39 ARG HG2 H 1 1.656 0.009 . 1 . . . . . 39 ARG HG2 . 53700 1
278 . 1 . 1 39 39 ARG HG3 H 1 1.658 0.009 . 1 . . . . . 39 ARG HG3 . 53700 1
279 . 1 . 1 39 39 ARG HD2 H 1 2.981 0.000 . 2 . . . . . 39 ARG HD2 . 53700 1
280 . 1 . 1 39 39 ARG HD3 H 1 3.022 0.006 . 2 . . . . . 39 ARG HD3 . 53700 1
281 . 1 . 1 39 39 ARG CG C 13 28.665 0.061 . 1 . . . . . 39 ARG CG . 53700 1
282 . 1 . 1 39 39 ARG CD C 13 42.241 0.024 . 1 . . . . . 39 ARG CD . 53700 1
283 . 1 . 1 39 39 ARG N N 15 120.670 0.000 . 1 . . . . . 39 ARG N . 53700 1
284 . 1 . 1 40 40 PHE H H 1 8.343 0.003 . 1 . . . . . 40 PHE H . 53700 1
285 . 1 . 1 40 40 PHE HA H 1 4.996 0.004 . 1 . . . . . 40 PHE HA . 53700 1
286 . 1 . 1 40 40 PHE HB2 H 1 2.981 0.011 . 2 . . . . . 40 PHE HB2 . 53700 1
287 . 1 . 1 40 40 PHE HB3 H 1 2.619 0.010 . 2 . . . . . 40 PHE HB3 . 53700 1
288 . 1 . 1 40 40 PHE CA C 13 56.244 0.019 . 1 . . . . . 40 PHE CA . 53700 1
289 . 1 . 1 40 40 PHE CB C 13 37.845 0.028 . 1 . . . . . 40 PHE CB . 53700 1
290 . 1 . 1 40 40 PHE N N 15 120.225 0.016 . 1 . . . . . 40 PHE N . 53700 1
291 . 1 . 1 42 42 GLY HA2 H 1 3.901 0.007 . 2 . . . . . 42 GLY HA2 . 53700 1
292 . 1 . 1 42 42 GLY HA3 H 1 3.625 0.006 . 2 . . . . . 42 GLY HA3 . 53700 1
293 . 1 . 1 42 42 GLY C C 13 171.961 0.000 . 1 . . . . . 42 GLY C . 53700 1
294 . 1 . 1 42 42 GLY CA C 13 45.586 0.085 . 1 . . . . . 42 GLY CA . 53700 1
295 . 1 . 1 43 43 ALA H H 1 8.308 0.005 . 1 . . . . . 43 ALA H . 53700 1
296 . 1 . 1 43 43 ALA HA H 1 4.324 0.002 . 1 . . . . . 43 ALA HA . 53700 1
297 . 1 . 1 43 43 ALA HB1 H 1 1.397 0.001 . 1 . . . . . 43 ALA HB1 . 53700 1
298 . 1 . 1 43 43 ALA HB2 H 1 1.397 0.001 . 1 . . . . . 43 ALA HB2 . 53700 1
299 . 1 . 1 43 43 ALA HB3 H 1 1.397 0.001 . 1 . . . . . 43 ALA HB3 . 53700 1
300 . 1 . 1 43 43 ALA CA C 13 52.699 0.077 . 1 . . . . . 43 ALA CA . 53700 1
301 . 1 . 1 43 43 ALA CB C 13 18.476 0.073 . 1 . . . . . 43 ALA CB . 53700 1
302 . 1 . 1 43 43 ALA N N 15 122.147 0.027 . 1 . . . . . 43 ALA N . 53700 1
303 . 1 . 1 44 44 GLY H H 1 8.542 0.010 . 1 . . . . . 44 GLY H . 53700 1
304 . 1 . 1 44 44 GLY HA2 H 1 3.923 0.000 . 2 . . . . . 44 GLY HA2 . 53700 1
305 . 1 . 1 44 44 GLY HA3 H 1 4.054 0.000 . 2 . . . . . 44 GLY HA3 . 53700 1
306 . 1 . 1 44 44 GLY C C 13 174.471 0.000 . 1 . . . . . 44 GLY C . 53700 1
307 . 1 . 1 44 44 GLY CA C 13 45.447 0.129 . 1 . . . . . 44 GLY CA . 53700 1
308 . 1 . 1 44 44 GLY N N 15 109.884 0.001 . 1 . . . . . 44 GLY N . 53700 1
309 . 1 . 1 45 45 LYS H H 1 8.740 0.012 . 1 . . . . . 45 LYS H . 53700 1
310 . 1 . 1 45 45 LYS N N 15 121.360 0.038 . 1 . . . . . 45 LYS N . 53700 1
311 . 1 . 1 46 46 ILE HA H 1 4.770 0.036 . 1 . . . . . 46 ILE HA . 53700 1
312 . 1 . 1 46 46 ILE HB H 1 1.702 0.010 . 1 . . . . . 46 ILE HB . 53700 1
313 . 1 . 1 46 46 ILE HG21 H 1 0.856 0.010 . 1 . . . . . 46 ILE HG21 . 53700 1
314 . 1 . 1 46 46 ILE HG22 H 1 0.856 0.010 . 1 . . . . . 46 ILE HG22 . 53700 1
315 . 1 . 1 46 46 ILE HG23 H 1 0.856 0.010 . 1 . . . . . 46 ILE HG23 . 53700 1
316 . 1 . 1 46 46 ILE HD11 H 1 0.856 0.011 . 1 . . . . . 46 ILE HD11 . 53700 1
317 . 1 . 1 46 46 ILE HD12 H 1 0.856 0.011 . 1 . . . . . 46 ILE HD12 . 53700 1
318 . 1 . 1 46 46 ILE HD13 H 1 0.856 0.011 . 1 . . . . . 46 ILE HD13 . 53700 1
319 . 1 . 1 46 46 ILE CA C 13 63.641 0.000 . 1 . . . . . 46 ILE CA . 53700 1
320 . 1 . 1 46 46 ILE CB C 13 38.343 0.013 . 1 . . . . . 46 ILE CB . 53700 1
321 . 1 . 1 46 46 ILE CG2 C 13 17.038 0.000 . 1 . . . . . 46 ILE CG2 . 53700 1
322 . 1 . 1 46 46 ILE CD1 C 13 12.883 0.000 . 1 . . . . . 46 ILE CD1 . 53700 1
323 . 1 . 1 47 47 CYS H H 1 9.358 0.012 . 1 . . . . . 47 CYS H . 53700 1
324 . 1 . 1 47 47 CYS HA H 1 5.080 0.011 . 1 . . . . . 47 CYS HA . 53700 1
325 . 1 . 1 47 47 CYS HB2 H 1 3.034 0.000 . 2 . . . . . 47 CYS HB2 . 53700 1
326 . 1 . 1 47 47 CYS HB3 H 1 2.974 0.000 . 2 . . . . . 47 CYS HB3 . 53700 1
327 . 1 . 1 47 47 CYS CA C 13 54.377 0.000 . 1 . . . . . 47 CYS CA . 53700 1
328 . 1 . 1 47 47 CYS CB C 13 44.074 0.000 . 1 . . . . . 47 CYS CB . 53700 1
329 . 1 . 1 47 47 CYS N N 15 123.061 0.014 . 1 . . . . . 47 CYS N . 53700 1
330 . 1 . 1 48 48 ARG H H 1 7.479 0.012 . 1 . . . . . 48 ARG H . 53700 1
331 . 1 . 1 48 48 ARG HA H 1 4.289 0.000 . 1 . . . . . 48 ARG HA . 53700 1
332 . 1 . 1 48 48 ARG HB2 H 1 2.061 0.000 . 2 . . . . . 48 ARG HB2 . 53700 1
333 . 1 . 1 48 48 ARG HB3 H 1 1.943 0.006 . 2 . . . . . 48 ARG HB3 . 53700 1
334 . 1 . 1 48 48 ARG HG2 H 1 2.283 0.005 . 1 . . . . . 48 ARG HG2 . 53700 1
335 . 1 . 1 48 48 ARG HG3 H 1 2.283 0.007 . 1 . . . . . 48 ARG HG3 . 53700 1
336 . 1 . 1 48 48 ARG C C 13 176.163 0.000 . 1 . . . . . 48 ARG C . 53700 1
337 . 1 . 1 48 48 ARG CA C 13 57.307 0.000 . 1 . . . . . 48 ARG CA . 53700 1
338 . 1 . 1 48 48 ARG CB C 13 30.059 0.000 . 1 . . . . . 48 ARG CB . 53700 1
339 . 1 . 1 48 48 ARG CG C 13 36.594 0.000 . 1 . . . . . 48 ARG CG . 53700 1
340 . 1 . 1 48 48 ARG N N 15 123.250 0.026 . 1 . . . . . 48 ARG N . 53700 1
341 . 1 . 1 49 49 ARG H H 1 8.565 0.009 . 1 . . . . . 49 ARG H . 53700 1
342 . 1 . 1 49 49 ARG HA H 1 4.338 0.012 . 1 . . . . . 49 ARG HA . 53700 1
343 . 1 . 1 49 49 ARG HB2 H 1 2.042 0.000 . 2 . . . . . 49 ARG HB2 . 53700 1
344 . 1 . 1 49 49 ARG HB3 H 1 1.945 0.006 . 2 . . . . . 49 ARG HB3 . 53700 1
345 . 1 . 1 49 49 ARG CA C 13 56.544 0.000 . 1 . . . . . 49 ARG CA . 53700 1
346 . 1 . 1 49 49 ARG CB C 13 30.395 0.030 . 1 . . . . . 49 ARG CB . 53700 1
347 . 1 . 1 49 49 ARG N N 15 121.384 0.051 . 1 . . . . . 49 ARG N . 53700 1
348 . 1 . 1 50 50 ALA H H 1 9.155 0.007 . 1 . . . . . 50 ALA H . 53700 1
349 . 1 . 1 50 50 ALA HA H 1 4.131 0.006 . 1 . . . . . 50 ALA HA . 53700 1
350 . 1 . 1 50 50 ALA HB1 H 1 1.281 0.006 . 1 . . . . . 50 ALA HB1 . 53700 1
351 . 1 . 1 50 50 ALA HB2 H 1 1.281 0.006 . 1 . . . . . 50 ALA HB2 . 53700 1
352 . 1 . 1 50 50 ALA HB3 H 1 1.281 0.006 . 1 . . . . . 50 ALA HB3 . 53700 1
353 . 1 . 1 50 50 ALA C C 13 173.745 0.000 . 1 . . . . . 50 ALA C . 53700 1
354 . 1 . 1 50 50 ALA CA C 13 52.473 0.126 . 1 . . . . . 50 ALA CA . 53700 1
355 . 1 . 1 50 50 ALA CB C 13 20.779 0.008 . 1 . . . . . 50 ALA CB . 53700 1
356 . 1 . 1 50 50 ALA N N 15 128.248 0.016 . 1 . . . . . 50 ALA N . 53700 1
357 . 1 . 1 51 51 ARG H H 1 8.170 0.009 . 1 . . . . . 51 ARG H . 53700 1
358 . 1 . 1 51 51 ARG HA H 1 4.254 0.000 . 1 . . . . . 51 ARG HA . 53700 1
359 . 1 . 1 51 51 ARG HB2 H 1 2.013 0.000 . 2 . . . . . 51 ARG HB2 . 53700 1
360 . 1 . 1 51 51 ARG HB3 H 1 1.911 0.000 . 2 . . . . . 51 ARG HB3 . 53700 1
361 . 1 . 1 51 51 ARG CA C 13 55.815 0.000 . 1 . . . . . 51 ARG CA . 53700 1
362 . 1 . 1 51 51 ARG CB C 13 32.109 0.001 . 1 . . . . . 51 ARG CB . 53700 1
363 . 1 . 1 51 51 ARG N N 15 120.219 0.002 . 1 . . . . . 51 ARG N . 53700 1
364 . 1 . 1 52 52 GLY HA2 H 1 3.893 0.000 . 2 . . . . . 52 GLY HA2 . 53700 1
365 . 1 . 1 52 52 GLY HA3 H 1 3.834 0.000 . 2 . . . . . 52 GLY HA3 . 53700 1
366 . 1 . 1 52 52 GLY CA C 13 46.138 0.005 . 1 . . . . . 52 GLY CA . 53700 1
367 . 1 . 1 53 53 ASP HA H 1 4.668 0.019 . 1 . . . . . 53 ASP HA . 53700 1
368 . 1 . 1 53 53 ASP HB2 H 1 2.753 0.002 . 2 . . . . . 53 ASP HB2 . 53700 1
369 . 1 . 1 53 53 ASP HB3 H 1 2.571 0.007 . 2 . . . . . 53 ASP HB3 . 53700 1
370 . 1 . 1 53 53 ASP C C 13 175.592 0.000 . 1 . . . . . 53 ASP C . 53700 1
371 . 1 . 1 53 53 ASP CA C 13 53.781 0.066 . 1 . . . . . 53 ASP CA . 53700 1
372 . 1 . 1 53 53 ASP CB C 13 40.162 0.049 . 1 . . . . . 53 ASP CB . 53700 1
373 . 1 . 1 54 54 ASN H H 1 7.884 0.006 . 1 . . . . . 54 ASN H . 53700 1
374 . 1 . 1 54 54 ASN HA H 1 4.910 0.021 . 1 . . . . . 54 ASN HA . 53700 1
375 . 1 . 1 54 54 ASN HB2 H 1 2.696 0.003 . 1 . . . . . 54 ASN HB2 . 53700 1
376 . 1 . 1 54 54 ASN HB3 H 1 2.696 0.003 . 1 . . . . . 54 ASN HB3 . 53700 1
377 . 1 . 1 54 54 ASN CA C 13 51.702 0.022 . 1 . . . . . 54 ASN CA . 53700 1
378 . 1 . 1 54 54 ASN CB C 13 39.978 0.009 . 1 . . . . . 54 ASN CB . 53700 1
379 . 1 . 1 54 54 ASN N N 15 119.423 0.014 . 1 . . . . . 54 ASN N . 53700 1
380 . 1 . 1 55 55 PRO CA C 13 62.144 0.000 . 1 . . . . . 55 PRO CA . 53700 1
381 . 1 . 1 56 56 ASP H H 1 8.090 0.014 . 1 . . . . . 56 ASP H . 53700 1
382 . 1 . 1 56 56 ASP HA H 1 4.596 0.015 . 1 . . . . . 56 ASP HA . 53700 1
383 . 1 . 1 56 56 ASP HB2 H 1 2.795 0.008 . 2 . . . . . 56 ASP HB2 . 53700 1
384 . 1 . 1 56 56 ASP HB3 H 1 2.296 0.009 . 2 . . . . . 56 ASP HB3 . 53700 1
385 . 1 . 1 56 56 ASP CA C 13 55.020 0.036 . 1 . . . . . 56 ASP CA . 53700 1
386 . 1 . 1 56 56 ASP CB C 13 42.688 0.047 . 1 . . . . . 56 ASP CB . 53700 1
387 . 1 . 1 56 56 ASP N N 15 119.324 0.024 . 1 . . . . . 56 ASP N . 53700 1
388 . 1 . 1 57 57 ASP H H 1 8.555 0.015 . 1 . . . . . 57 ASP H . 53700 1
389 . 1 . 1 57 57 ASP HA H 1 4.942 0.009 . 1 . . . . . 57 ASP HA . 53700 1
390 . 1 . 1 57 57 ASP HB2 H 1 2.878 0.004 . 2 . . . . . 57 ASP HB2 . 53700 1
391 . 1 . 1 57 57 ASP HB3 H 1 2.521 0.009 . 2 . . . . . 57 ASP HB3 . 53700 1
392 . 1 . 1 57 57 ASP CA C 13 55.029 0.063 . 1 . . . . . 57 ASP CA . 53700 1
393 . 1 . 1 57 57 ASP CB C 13 43.680 0.017 . 1 . . . . . 57 ASP CB . 53700 1
394 . 1 . 1 57 57 ASP N N 15 121.319 0.088 . 1 . . . . . 57 ASP N . 53700 1
395 . 1 . 1 59 59 CYS H H 1 9.383 0.004 . 1 . . . . . 59 CYS H . 53700 1
396 . 1 . 1 59 59 CYS HA H 1 4.893 0.000 . 1 . . . . . 59 CYS HA . 53700 1
397 . 1 . 1 59 59 CYS HB2 H 1 3.339 0.000 . 2 . . . . . 59 CYS HB2 . 53700 1
398 . 1 . 1 59 59 CYS HB3 H 1 2.623 0.000 . 2 . . . . . 59 CYS HB3 . 53700 1
399 . 1 . 1 59 59 CYS CA C 13 53.507 0.000 . 1 . . . . . 59 CYS CA . 53700 1
400 . 1 . 1 59 59 CYS CB C 13 38.482 0.097 . 1 . . . . . 59 CYS CB . 53700 1
401 . 1 . 1 59 59 CYS N N 15 121.073 0.014 . 1 . . . . . 59 CYS N . 53700 1
402 . 1 . 1 60 60 THR HA H 1 4.379 0.013 . 1 . . . . . 60 THR HA . 53700 1
403 . 1 . 1 60 60 THR HB H 1 4.381 0.026 . 1 . . . . . 60 THR HB . 53700 1
404 . 1 . 1 60 60 THR HG21 H 1 1.324 0.000 . 1 . . . . . 60 THR HG21 . 53700 1
405 . 1 . 1 60 60 THR HG22 H 1 1.324 0.000 . 1 . . . . . 60 THR HG22 . 53700 1
406 . 1 . 1 60 60 THR HG23 H 1 1.324 0.000 . 1 . . . . . 60 THR HG23 . 53700 1
407 . 1 . 1 60 60 THR C C 13 176.810 0.000 . 1 . . . . . 60 THR C . 53700 1
408 . 1 . 1 60 60 THR CA C 13 62.369 0.065 . 1 . . . . . 60 THR CA . 53700 1
409 . 1 . 1 60 60 THR CB C 13 71.195 0.011 . 1 . . . . . 60 THR CB . 53700 1
410 . 1 . 1 60 60 THR CG2 C 13 21.404 0.000 . 1 . . . . . 60 THR CG2 . 53700 1
411 . 1 . 1 61 61 GLY H H 1 8.498 0.014 . 1 . . . . . 61 GLY H . 53700 1
412 . 1 . 1 61 61 GLY HA2 H 1 4.354 0.017 . 2 . . . . . 61 GLY HA2 . 53700 1
413 . 1 . 1 61 61 GLY HA3 H 1 4.330 0.025 . 2 . . . . . 61 GLY HA3 . 53700 1
414 . 1 . 1 61 61 GLY C C 13 174.050 0.000 . 1 . . . . . 61 GLY C . 53700 1
415 . 1 . 1 61 61 GLY CA C 13 45.416 0.028 . 1 . . . . . 61 GLY CA . 53700 1
416 . 1 . 1 61 61 GLY N N 15 111.975 0.140 . 1 . . . . . 61 GLY N . 53700 1
417 . 1 . 1 62 62 GLN H H 1 7.891 0.015 . 1 . . . . . 62 GLN H . 53700 1
418 . 1 . 1 62 62 GLN HA H 1 4.194 0.005 . 1 . . . . . 62 GLN HA . 53700 1
419 . 1 . 1 62 62 GLN HB2 H 1 2.145 0.019 . 2 . . . . . 62 GLN HB2 . 53700 1
420 . 1 . 1 62 62 GLN HB3 H 1 1.605 0.007 . 2 . . . . . 62 GLN HB3 . 53700 1
421 . 1 . 1 62 62 GLN HG2 H 1 2.131 0.003 . 1 . . . . . 62 GLN HG2 . 53700 1
422 . 1 . 1 62 62 GLN HG3 H 1 2.132 0.003 . 1 . . . . . 62 GLN HG3 . 53700 1
423 . 1 . 1 62 62 GLN C C 13 173.089 0.000 . 1 . . . . . 62 GLN C . 53700 1
424 . 1 . 1 62 62 GLN CA C 13 54.058 0.052 . 1 . . . . . 62 GLN CA . 53700 1
425 . 1 . 1 62 62 GLN CB C 13 30.418 0.071 . 1 . . . . . 62 GLN CB . 53700 1
426 . 1 . 1 62 62 GLN CG C 13 33.201 0.000 . 1 . . . . . 62 GLN CG . 53700 1
427 . 1 . 1 62 62 GLN N N 15 114.796 0.023 . 1 . . . . . 62 GLN N . 53700 1
428 . 1 . 1 63 63 SER H H 1 6.531 0.010 . 1 . . . . . 63 SER H . 53700 1
429 . 1 . 1 63 63 SER HA H 1 3.914 0.028 . 1 . . . . . 63 SER HA . 53700 1
430 . 1 . 1 63 63 SER HB2 H 1 3.850 0.014 . 2 . . . . . 63 SER HB2 . 53700 1
431 . 1 . 1 63 63 SER HB3 H 1 3.539 0.021 . 2 . . . . . 63 SER HB3 . 53700 1
432 . 1 . 1 63 63 SER C C 13 173.053 0.000 . 1 . . . . . 63 SER C . 53700 1
433 . 1 . 1 63 63 SER CA C 13 56.874 0.043 . 1 . . . . . 63 SER CA . 53700 1
434 . 1 . 1 63 63 SER CB C 13 64.400 0.012 . 1 . . . . . 63 SER CB . 53700 1
435 . 1 . 1 63 63 SER N N 15 110.813 0.044 . 1 . . . . . 63 SER N . 53700 1
436 . 1 . 1 64 64 ALA H H 1 9.022 0.006 . 1 . . . . . 64 ALA H . 53700 1
437 . 1 . 1 64 64 ALA HA H 1 4.240 0.018 . 1 . . . . . 64 ALA HA . 53700 1
438 . 1 . 1 64 64 ALA HB1 H 1 1.759 0.015 . 1 . . . . . 64 ALA HB1 . 53700 1
439 . 1 . 1 64 64 ALA HB2 H 1 1.759 0.015 . 1 . . . . . 64 ALA HB2 . 53700 1
440 . 1 . 1 64 64 ALA HB3 H 1 1.759 0.015 . 1 . . . . . 64 ALA HB3 . 53700 1
441 . 1 . 1 64 64 ALA C C 13 176.733 0.000 . 1 . . . . . 64 ALA C . 53700 1
442 . 1 . 1 64 64 ALA CA C 13 53.254 0.013 . 1 . . . . . 64 ALA CA . 53700 1
443 . 1 . 1 64 64 ALA CB C 13 20.632 0.028 . 1 . . . . . 64 ALA CB . 53700 1
444 . 1 . 1 64 64 ALA N N 15 124.869 0.050 . 1 . . . . . 64 ALA N . 53700 1
445 . 1 . 1 65 65 ASP H H 1 8.220 0.006 . 1 . . . . . 65 ASP H . 53700 1
446 . 1 . 1 65 65 ASP HA H 1 4.850 0.012 . 1 . . . . . 65 ASP HA . 53700 1
447 . 1 . 1 65 65 ASP HB2 H 1 2.610 0.005 . 2 . . . . . 65 ASP HB2 . 53700 1
448 . 1 . 1 65 65 ASP HB3 H 1 2.515 0.005 . 2 . . . . . 65 ASP HB3 . 53700 1
449 . 1 . 1 65 65 ASP CA C 13 52.718 0.000 . 1 . . . . . 65 ASP CA . 53700 1
450 . 1 . 1 65 65 ASP CB C 13 41.943 0.010 . 1 . . . . . 65 ASP CB . 53700 1
451 . 1 . 1 65 65 ASP N N 15 117.539 0.038 . 1 . . . . . 65 ASP N . 53700 1
452 . 1 . 1 66 66 CYS HA H 1 5.384 0.012 . 1 . . . . . 66 CYS HA . 53700 1
453 . 1 . 1 66 66 CYS HB2 H 1 3.020 0.003 . 2 . . . . . 66 CYS HB2 . 53700 1
454 . 1 . 1 66 66 CYS HB3 H 1 2.711 0.010 . 2 . . . . . 66 CYS HB3 . 53700 1
455 . 1 . 1 66 66 CYS CA C 13 51.907 0.005 . 1 . . . . . 66 CYS CA . 53700 1
456 . 1 . 1 66 66 CYS CB C 13 40.651 0.063 . 1 . . . . . 66 CYS CB . 53700 1
457 . 1 . 1 69 69 ASN HA H 1 4.826 0.000 . 1 . . . . . 69 ASN HA . 53700 1
458 . 1 . 1 69 69 ASN HB2 H 1 2.908 0.000 . 1 . . . . . 69 ASN HB2 . 53700 1
459 . 1 . 1 69 69 ASN HB3 H 1 2.908 0.000 . 1 . . . . . 69 ASN HB3 . 53700 1
460 . 1 . 1 69 69 ASN CA C 13 52.493 0.000 . 1 . . . . . 69 ASN CA . 53700 1
461 . 1 . 1 69 69 ASN CB C 13 39.178 0.000 . 1 . . . . . 69 ASN CB . 53700 1
462 . 1 . 1 71 71 PHE HA H 1 4.620 0.006 . 1 . . . . . 71 PHE HA . 53700 1
463 . 1 . 1 71 71 PHE HB2 H 1 3.174 0.004 . 2 . . . . . 71 PHE HB2 . 53700 1
464 . 1 . 1 71 71 PHE HB3 H 1 2.923 0.007 . 2 . . . . . 71 PHE HB3 . 53700 1
465 . 1 . 1 71 71 PHE C C 13 174.661 0.000 . 1 . . . . . 71 PHE C . 53700 1
466 . 1 . 1 71 71 PHE CA C 13 57.737 0.022 . 1 . . . . . 71 PHE CA . 53700 1
467 . 1 . 1 71 71 PHE CB C 13 39.400 0.039 . 1 . . . . . 71 PHE CB . 53700 1
468 . 1 . 1 72 72 HIS H H 1 7.736 0.010 . 1 . . . . . 72 HIS H . 53700 1
469 . 1 . 1 72 72 HIS HA H 1 4.371 0.000 . 1 . . . . . 72 HIS HA . 53700 1
470 . 1 . 1 72 72 HIS HB2 H 1 3.110 0.000 . 2 . . . . . 72 HIS HB2 . 53700 1
471 . 1 . 1 72 72 HIS HB3 H 1 2.985 0.000 . 2 . . . . . 72 HIS HB3 . 53700 1
472 . 1 . 1 72 72 HIS CA C 13 57.733 0.035 . 1 . . . . . 72 HIS CA . 53700 1
473 . 1 . 1 72 72 HIS CB C 13 31.548 0.099 . 1 . . . . . 72 HIS CB . 53700 1
474 . 1 . 1 72 72 HIS N N 15 125.344 0.081 . 1 . . . . . 72 HIS N . 53700 1
475 . 1 . 1 73 73 ALA HA H 1 4.121 0.000 . 1 . . . . . 73 ALA HA . 53700 1
476 . 1 . 1 73 73 ALA HB1 H 1 1.327 0.000 . 1 . . . . . 73 ALA HB1 . 53700 1
477 . 1 . 1 73 73 ALA HB2 H 1 1.327 0.000 . 1 . . . . . 73 ALA HB2 . 53700 1
478 . 1 . 1 73 73 ALA HB3 H 1 1.327 0.000 . 1 . . . . . 73 ALA HB3 . 53700 1
479 . 1 . 1 73 73 ALA CA C 13 53.780 0.000 . 1 . . . . . 73 ALA CA . 53700 1
480 . 1 . 1 73 73 ALA CB C 13 20.222 0.000 . 1 . . . . . 73 ALA CB . 53700 1
stop_
save_