Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 19460
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_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' . . . 19460 1
2 '3D HNCA' . . . 19460 1
3 '3D HNCACB' . . . 19460 1
4 '3D HN(CO)CA' . . . 19460 1
5 '3D CBCA(CO)NH' . . . 19460 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 ASN HD21 H 1 7.699 0.000 . . . . . A 1 ASN HD21 . 19460 1
2 . 1 1 1 1 ASN HD22 H 1 7.709 0.000 . . . . . A 1 ASN HD22 . 19460 1
3 . 1 1 1 1 ASN C C 13 171.518 0.000 . . . . . A 1 ASN C . 19460 1
4 . 1 1 1 1 ASN ND2 N 15 112.177 0.016 . . . . . A 1 ASN ND2 . 19460 1
5 . 1 1 2 2 ASP H H 1 8.735 0.000 . . . . . A 2 ASP H . 19460 1
6 . 1 1 2 2 ASP HA H 1 4.685 0.000 . . . . . A 2 ASP HA . 19460 1
7 . 1 1 2 2 ASP HB2 H 1 2.574 0.003 . . . . . A 2 ASP HB2 . 19460 1
8 . 1 1 2 2 ASP HB3 H 1 2.721 0.009 . . . . . A 2 ASP HB3 . 19460 1
9 . 1 1 2 2 ASP C C 13 175.735 0.000 . . . . . A 2 ASP C . 19460 1
10 . 1 1 2 2 ASP CA C 13 53.965 0.046 . . . . . A 2 ASP CA . 19460 1
11 . 1 1 2 2 ASP CB C 13 41.031 0.018 . . . . . A 2 ASP CB . 19460 1
12 . 1 1 2 2 ASP N N 15 121.839 0.000 . . . . . A 2 ASP N . 19460 1
13 . 1 1 3 3 ILE H H 1 8.204 0.000 . . . . . A 3 ILE H . 19460 1
14 . 1 1 3 3 ILE HA H 1 4.109 0.003 . . . . . A 3 ILE HA . 19460 1
15 . 1 1 3 3 ILE HB H 1 1.849 0.001 . . . . . A 3 ILE HB . 19460 1
16 . 1 1 3 3 ILE HG12 H 1 1.410 0.000 . . . . . A 3 ILE HG12 . 19460 1
17 . 1 1 3 3 ILE HG13 H 1 1.158 0.000 . . . . . A 3 ILE HG13 . 19460 1
18 . 1 1 3 3 ILE HG21 H 1 0.850 0.000 . . . . . A 3 ILE HG21 . 19460 1
19 . 1 1 3 3 ILE HG22 H 1 0.850 0.000 . . . . . A 3 ILE HG22 . 19460 1
20 . 1 1 3 3 ILE HG23 H 1 0.850 0.000 . . . . . A 3 ILE HG23 . 19460 1
21 . 1 1 3 3 ILE HD11 H 1 0.818 0.002 . . . . . A 3 ILE HD11 . 19460 1
22 . 1 1 3 3 ILE HD12 H 1 0.818 0.002 . . . . . A 3 ILE HD12 . 19460 1
23 . 1 1 3 3 ILE HD13 H 1 0.818 0.002 . . . . . A 3 ILE HD13 . 19460 1
24 . 1 1 3 3 ILE C C 13 176.131 0.000 . . . . . A 3 ILE C . 19460 1
25 . 1 1 3 3 ILE CA C 13 60.961 0.015 . . . . . A 3 ILE CA . 19460 1
26 . 1 1 3 3 ILE CB C 13 38.238 0.027 . . . . . A 3 ILE CB . 19460 1
27 . 1 1 3 3 ILE CG1 C 13 26.982 0.066 . . . . . A 3 ILE CG1 . 19460 1
28 . 1 1 3 3 ILE CG2 C 13 17.282 0.064 . . . . . A 3 ILE CG2 . 19460 1
29 . 1 1 3 3 ILE CD1 C 13 12.817 0.089 . . . . . A 3 ILE CD1 . 19460 1
30 . 1 1 3 3 ILE N N 15 121.374 0.000 . . . . . A 3 ILE N . 19460 1
31 . 1 1 4 4 ARG H H 1 8.378 0.000 . . . . . A 4 ARG H . 19460 1
32 . 1 1 4 4 ARG HA H 1 4.361 0.001 . . . . . A 4 ARG HA . 19460 1
33 . 1 1 4 4 ARG HB2 H 1 1.736 0.002 . . . . . A 4 ARG HB2 . 19460 1
34 . 1 1 4 4 ARG HB3 H 1 1.776 0.002 . . . . . A 4 ARG HB3 . 19460 1
35 . 1 1 4 4 ARG HG2 H 1 1.547 0.002 . . . . . A 4 ARG HG2 . 19460 1
36 . 1 1 4 4 ARG HG3 H 1 1.593 0.015 . . . . . A 4 ARG HG3 . 19460 1
37 . 1 1 4 4 ARG HD2 H 1 3.127 0.001 . . . . . A 4 ARG HD2 . 19460 1
38 . 1 1 4 4 ARG HD3 H 1 3.127 0.001 . . . . . A 4 ARG HD3 . 19460 1
39 . 1 1 4 4 ARG HE H 1 7.337 0.000 . . . . . A 4 ARG HE . 19460 1
40 . 1 1 4 4 ARG C C 13 176.279 0.000 . . . . . A 4 ARG C . 19460 1
41 . 1 1 4 4 ARG CA C 13 55.740 0.019 . . . . . A 4 ARG CA . 19460 1
42 . 1 1 4 4 ARG CB C 13 30.577 0.127 . . . . . A 4 ARG CB . 19460 1
43 . 1 1 4 4 ARG CG C 13 26.793 0.128 . . . . . A 4 ARG CG . 19460 1
44 . 1 1 4 4 ARG CD C 13 43.120 0.083 . . . . . A 4 ARG CD . 19460 1
45 . 1 1 4 4 ARG N N 15 124.665 0.000 . . . . . A 4 ARG N . 19460 1
46 . 1 1 4 4 ARG NE N 15 88.8 0.000 . . . . . A 4 ARG NE . 19460 1
47 . 1 1 5 5 THR H H 1 8.200 0.000 . . . . . A 5 THR H . 19460 1
48 . 1 1 5 5 THR HA H 1 4.340 0.001 . . . . . A 5 THR HA . 19460 1
49 . 1 1 5 5 THR HB H 1 4.233 0.000 . . . . . A 5 THR HB . 19460 1
50 . 1 1 5 5 THR HG21 H 1 1.167 0.001 . . . . . A 5 THR HG21 . 19460 1
51 . 1 1 5 5 THR HG22 H 1 1.167 0.001 . . . . . A 5 THR HG22 . 19460 1
52 . 1 1 5 5 THR HG23 H 1 1.167 0.001 . . . . . A 5 THR HG23 . 19460 1
53 . 1 1 5 5 THR C C 13 174.362 0.000 . . . . . A 5 THR C . 19460 1
54 . 1 1 5 5 THR CA C 13 61.127 0.025 . . . . . A 5 THR CA . 19460 1
55 . 1 1 5 5 THR CB C 13 69.840 0.022 . . . . . A 5 THR CB . 19460 1
56 . 1 1 5 5 THR CG2 C 13 21.314 0.024 . . . . . A 5 THR CG2 . 19460 1
57 . 1 1 5 5 THR N N 15 114.675 0.000 . . . . . A 5 THR N . 19460 1
58 . 1 1 6 6 ALA H H 1 8.308 0.000 . . . . . A 6 ALA H . 19460 1
59 . 1 1 6 6 ALA HA H 1 4.249 0.001 . . . . . A 6 ALA HA . 19460 1
60 . 1 1 6 6 ALA HB1 H 1 1.374 0.000 . . . . . A 6 ALA HB1 . 19460 1
61 . 1 1 6 6 ALA HB2 H 1 1.374 0.000 . . . . . A 6 ALA HB2 . 19460 1
62 . 1 1 6 6 ALA HB3 H 1 1.374 0.000 . . . . . A 6 ALA HB3 . 19460 1
63 . 1 1 6 6 ALA C C 13 177.708 0.000 . . . . . A 6 ALA C . 19460 1
64 . 1 1 6 6 ALA CA C 13 52.596 0.011 . . . . . A 6 ALA CA . 19460 1
65 . 1 1 6 6 ALA CB C 13 18.902 0.004 . . . . . A 6 ALA CB . 19460 1
66 . 1 1 6 6 ALA N N 15 125.610 0.000 . . . . . A 6 ALA N . 19460 1
67 . 1 1 7 7 ALA H H 1 8.158 0.000 . . . . . A 7 ALA H . 19460 1
68 . 1 1 7 7 ALA HA H 1 4.214 0.000 . . . . . A 7 ALA HA . 19460 1
69 . 1 1 7 7 ALA HB1 H 1 1.343 0.000 . . . . . A 7 ALA HB1 . 19460 1
70 . 1 1 7 7 ALA HB2 H 1 1.343 0.000 . . . . . A 7 ALA HB2 . 19460 1
71 . 1 1 7 7 ALA HB3 H 1 1.343 0.000 . . . . . A 7 ALA HB3 . 19460 1
72 . 1 1 7 7 ALA C C 13 177.679 0.000 . . . . . A 7 ALA C . 19460 1
73 . 1 1 7 7 ALA CA C 13 52.554 0.011 . . . . . A 7 ALA CA . 19460 1
74 . 1 1 7 7 ALA CB C 13 18.895 0.002 . . . . . A 7 ALA CB . 19460 1
75 . 1 1 7 7 ALA N N 15 122.285 0.000 . . . . . A 7 ALA N . 19460 1
76 . 1 1 8 8 ASP H H 1 8.143 0.000 . . . . . A 8 ASP H . 19460 1
77 . 1 1 8 8 ASP HA H 1 4.565 0.002 . . . . . A 8 ASP HA . 19460 1
78 . 1 1 8 8 ASP HB2 H 1 2.754 0.003 . . . . . A 8 ASP HB2 . 19460 1
79 . 1 1 8 8 ASP HB3 H 1 2.694 0.002 . . . . . A 8 ASP HB3 . 19460 1
80 . 1 1 8 8 ASP C C 13 176.337 0.000 . . . . . A 8 ASP C . 19460 1
81 . 1 1 8 8 ASP CA C 13 53.840 0.025 . . . . . A 8 ASP CA . 19460 1
82 . 1 1 8 8 ASP CB C 13 40.532 0.019 . . . . . A 8 ASP CB . 19460 1
83 . 1 1 8 8 ASP N N 15 118.260 0.000 . . . . . A 8 ASP N . 19460 1
84 . 1 1 9 9 MET H H 1 8.141 0.000 . . . . . A 9 MET H . 19460 1
85 . 1 1 9 9 MET HA H 1 4.394 0.003 . . . . . A 9 MET HA . 19460 1
86 . 1 1 9 9 MET HB2 H 1 1.999 0.002 . . . . . A 9 MET HB2 . 19460 1
87 . 1 1 9 9 MET HB3 H 1 2.105 0.001 . . . . . A 9 MET HB3 . 19460 1
88 . 1 1 9 9 MET HG2 H 1 2.587 0.000 . . . . . A 9 MET HG2 . 19460 1
89 . 1 1 9 9 MET HG3 H 1 2.510 0.002 . . . . . A 9 MET HG3 . 19460 1
90 . 1 1 9 9 MET HE1 H 1 2.081 0.001 . . . . . A 9 MET HE1 . 19460 1
91 . 1 1 9 9 MET HE2 H 1 2.081 0.001 . . . . . A 9 MET HE2 . 19460 1
92 . 1 1 9 9 MET HE3 H 1 2.081 0.001 . . . . . A 9 MET HE3 . 19460 1
93 . 1 1 9 9 MET C C 13 176.396 0.000 . . . . . A 9 MET C . 19460 1
94 . 1 1 9 9 MET CA C 13 55.336 0.104 . . . . . A 9 MET CA . 19460 1
95 . 1 1 9 9 MET CB C 13 32.471 0.083 . . . . . A 9 MET CB . 19460 1
96 . 1 1 9 9 MET CG C 13 31.806 0.033 . . . . . A 9 MET CG . 19460 1
97 . 1 1 9 9 MET CE C 13 16.841 0.072 . . . . . A 9 MET CE . 19460 1
98 . 1 1 9 9 MET N N 15 120.030 0.000 . . . . . A 9 MET N . 19460 1
99 . 1 1 10 10 GLU H H 1 8.292 0.000 . . . . . A 10 GLU H . 19460 1
100 . 1 1 10 10 GLU HA H 1 4.154 0.003 . . . . . A 10 GLU HA . 19460 1
101 . 1 1 10 10 GLU HB2 H 1 1.909 0.001 . . . . . A 10 GLU HB2 . 19460 1
102 . 1 1 10 10 GLU HB3 H 1 1.909 0.001 . . . . . A 10 GLU HB3 . 19460 1
103 . 1 1 10 10 GLU HG2 H 1 2.156 0.003 . . . . . A 10 GLU HG2 . 19460 1
104 . 1 1 10 10 GLU HG3 H 1 2.245 0.003 . . . . . A 10 GLU HG3 . 19460 1
105 . 1 1 10 10 GLU C C 13 176.190 0.000 . . . . . A 10 GLU C . 19460 1
106 . 1 1 10 10 GLU CA C 13 56.674 0.024 . . . . . A 10 GLU CA . 19460 1
107 . 1 1 10 10 GLU CB C 13 29.607 0.016 . . . . . A 10 GLU CB . 19460 1
108 . 1 1 10 10 GLU CG C 13 35.471 0.029 . . . . . A 10 GLU CG . 19460 1
109 . 1 1 10 10 GLU N N 15 120.623 0.000 . . . . . A 10 GLU N . 19460 1
110 . 1 1 11 11 HIS H H 1 8.230 0.000 . . . . . A 11 HIS H . 19460 1
111 . 1 1 11 11 HIS HA H 1 4.674 0.000 . . . . . A 11 HIS HA . 19460 1
112 . 1 1 11 11 HIS HB2 H 1 3.083 0.002 . . . . . A 11 HIS HB2 . 19460 1
113 . 1 1 11 11 HIS HB3 H 1 3.254 0.005 . . . . . A 11 HIS HB3 . 19460 1
114 . 1 1 11 11 HIS HD2 H 1 7.318 0.000 . . . . . A 11 HIS HD2 . 19460 1
115 . 1 1 11 11 HIS HE1 H 1 8.574 0.000 . . . . . A 11 HIS HE1 . 19460 1
116 . 1 1 11 11 HIS C C 13 173.434 0.000 . . . . . A 11 HIS C . 19460 1
117 . 1 1 11 11 HIS CA C 13 54.260 0.000 . . . . . A 11 HIS CA . 19460 1
118 . 1 1 11 11 HIS CB C 13 28.816 0.056 . . . . . A 11 HIS CB . 19460 1
119 . 1 1 11 11 HIS CD2 C 13 119.953 0.000 . . . . . A 11 HIS CD2 . 19460 1
120 . 1 1 11 11 HIS CE1 C 13 135.680 0.000 . . . . . A 11 HIS CE1 . 19460 1
121 . 1 1 11 11 HIS N N 15 117.798 0.000 . . . . . A 11 HIS N . 19460 1
122 . 1 1 12 12 CYS H H 1 8.568 0.000 . . . . . A 12 CYS H . 19460 1
123 . 1 1 12 12 CYS HA H 1 4.480 0.000 . . . . . A 12 CYS HA . 19460 1
124 . 1 1 12 12 CYS HB2 H 1 2.957 0.001 . . . . . A 12 CYS HB2 . 19460 1
125 . 1 1 12 12 CYS HB3 H 1 2.910 0.001 . . . . . A 12 CYS HB3 . 19460 1
126 . 1 1 12 12 CYS C C 13 171.960 0.000 . . . . . A 12 CYS C . 19460 1
127 . 1 1 12 12 CYS CA C 13 55.284 0.000 . . . . . A 12 CYS CA . 19460 1
128 . 1 1 12 12 CYS CB C 13 41.280 0.030 . . . . . A 12 CYS CB . 19460 1
129 . 1 1 12 12 CYS N N 15 123.037 0.000 . . . . . A 12 CYS N . 19460 1
130 . 1 1 13 13 ALA H H 1 7.778 0.000 . . . . . A 13 ALA H . 19460 1
131 . 1 1 13 13 ALA HA H 1 4.423 0.000 . . . . . A 13 ALA HA . 19460 1
132 . 1 1 13 13 ALA HB1 H 1 1.217 0.000 . . . . . A 13 ALA HB1 . 19460 1
133 . 1 1 13 13 ALA HB2 H 1 1.217 0.000 . . . . . A 13 ALA HB2 . 19460 1
134 . 1 1 13 13 ALA HB3 H 1 1.217 0.000 . . . . . A 13 ALA HB3 . 19460 1
135 . 1 1 13 13 ALA C C 13 175.866 0.000 . . . . . A 13 ALA C . 19460 1
136 . 1 1 13 13 ALA CA C 13 51.636 0.026 . . . . . A 13 ALA CA . 19460 1
137 . 1 1 13 13 ALA CB C 13 21.355 0.016 . . . . . A 13 ALA CB . 19460 1
138 . 1 1 13 13 ALA N N 15 126.606 0.000 . . . . . A 13 ALA N . 19460 1
139 . 1 1 14 14 ASP H H 1 8.604 0.000 . . . . . A 14 ASP H . 19460 1
140 . 1 1 14 14 ASP HA H 1 4.923 0.000 . . . . . A 14 ASP HA . 19460 1
141 . 1 1 14 14 ASP HB2 H 1 3.114 0.000 . . . . . A 14 ASP HB2 . 19460 1
142 . 1 1 14 14 ASP HB3 H 1 2.509 0.000 . . . . . A 14 ASP HB3 . 19460 1
143 . 1 1 14 14 ASP C C 13 177.310 0.000 . . . . . A 14 ASP C . 19460 1
144 . 1 1 14 14 ASP CA C 13 53.827 0.036 . . . . . A 14 ASP CA . 19460 1
145 . 1 1 14 14 ASP CB C 13 40.869 0.049 . . . . . A 14 ASP CB . 19460 1
146 . 1 1 14 14 ASP N N 15 121.969 0.000 . . . . . A 14 ASP N . 19460 1
147 . 1 1 15 15 GLU H H 1 9.520 0.001 . . . . . A 15 GLU H . 19460 1
148 . 1 1 15 15 GLU HA H 1 4.314 0.000 . . . . . A 15 GLU HA . 19460 1
149 . 1 1 15 15 GLU HB2 H 1 2.286 0.000 . . . . . A 15 GLU HB2 . 19460 1
150 . 1 1 15 15 GLU HB3 H 1 2.436 0.000 . . . . . A 15 GLU HB3 . 19460 1
151 . 1 1 15 15 GLU HG2 H 1 2.425 0.000 . . . . . A 15 GLU HG2 . 19460 1
152 . 1 1 15 15 GLU HG3 H 1 2.542 0.003 . . . . . A 15 GLU HG3 . 19460 1
153 . 1 1 15 15 GLU C C 13 177.531 0.000 . . . . . A 15 GLU C . 19460 1
154 . 1 1 15 15 GLU CA C 13 56.341 0.000 . . . . . A 15 GLU CA . 19460 1
155 . 1 1 15 15 GLU CB C 13 29.836 0.000 . . . . . A 15 GLU CB . 19460 1
156 . 1 1 15 15 GLU CG C 13 36.109 0.000 . . . . . A 15 GLU CG . 19460 1
157 . 1 1 15 15 GLU N N 15 125.948 0.090 . . . . . A 15 GLU N . 19460 1
158 . 1 1 16 16 LYS H H 1 8.591 0.000 . . . . . A 16 LYS H . 19460 1
159 . 1 1 16 16 LYS HA H 1 4.167 0.000 . . . . . A 16 LYS HA . 19460 1
160 . 1 1 16 16 LYS HB2 H 1 1.873 0.000 . . . . . A 16 LYS HB2 . 19460 1
161 . 1 1 16 16 LYS HB3 H 1 1.873 0.000 . . . . . A 16 LYS HB3 . 19460 1
162 . 1 1 16 16 LYS HG2 H 1 1.535 0.000 . . . . . A 16 LYS HG2 . 19460 1
163 . 1 1 16 16 LYS HG3 H 1 1.535 0.000 . . . . . A 16 LYS HG3 . 19460 1
164 . 1 1 16 16 LYS HD2 H 1 1.740 0.000 . . . . . A 16 LYS HD2 . 19460 1
165 . 1 1 16 16 LYS HD3 H 1 1.740 0.000 . . . . . A 16 LYS HD3 . 19460 1
166 . 1 1 16 16 LYS C C 13 177.399 0.000 . . . . . A 16 LYS C . 19460 1
167 . 1 1 16 16 LYS CA C 13 58.312 0.000 . . . . . A 16 LYS CA . 19460 1
168 . 1 1 16 16 LYS CB C 13 32.303 0.000 . . . . . A 16 LYS CB . 19460 1
169 . 1 1 16 16 LYS CG C 13 24.506 0.000 . . . . . A 16 LYS CG . 19460 1
170 . 1 1 16 16 LYS CD C 13 28.882 0.000 . . . . . A 16 LYS CD . 19460 1
171 . 1 1 16 16 LYS N N 15 126.434 0.000 . . . . . A 16 LYS N . 19460 1
172 . 1 1 17 17 ASN H H 1 9.019 0.000 . . . . . A 17 ASN H . 19460 1
173 . 1 1 17 17 ASN HA H 1 4.742 0.000 . . . . . A 17 ASN HA . 19460 1
174 . 1 1 17 17 ASN HB2 H 1 2.976 0.002 . . . . . A 17 ASN HB2 . 19460 1
175 . 1 1 17 17 ASN HB3 H 1 2.976 0.002 . . . . . A 17 ASN HB3 . 19460 1
176 . 1 1 17 17 ASN C C 13 173.861 0.000 . . . . . A 17 ASN C . 19460 1
177 . 1 1 17 17 ASN CA C 13 53.245 0.000 . . . . . A 17 ASN CA . 19460 1
178 . 1 1 17 17 ASN CB C 13 37.964 0.000 . . . . . A 17 ASN CB . 19460 1
179 . 1 1 17 17 ASN N N 15 115.939 0.000 . . . . . A 17 ASN N . 19460 1
180 . 1 1 17 17 ASN ND2 N 15 113.651 0.000 . . . . . A 17 ASN ND2 . 19460 1
181 . 1 1 18 18 PHE H H 1 7.851 0.000 . . . . . A 18 PHE H . 19460 1
182 . 1 1 18 18 PHE HA H 1 4.249 0.000 . . . . . A 18 PHE HA . 19460 1
183 . 1 1 18 18 PHE HB2 H 1 2.743 0.000 . . . . . A 18 PHE HB2 . 19460 1
184 . 1 1 18 18 PHE HB3 H 1 3.179 0.000 . . . . . A 18 PHE HB3 . 19460 1
185 . 1 1 18 18 PHE HD1 H 1 6.765 0.000 . . . . . A 18 PHE HD1 . 19460 1
186 . 1 1 18 18 PHE HD2 H 1 6.765 0.000 . . . . . A 18 PHE HD2 . 19460 1
187 . 1 1 18 18 PHE HE1 H 1 7.022 0.000 . . . . . A 18 PHE HE1 . 19460 1
188 . 1 1 18 18 PHE HE2 H 1 7.022 0.000 . . . . . A 18 PHE HE2 . 19460 1
189 . 1 1 18 18 PHE HZ H 1 6.937 0.000 . . . . . A 18 PHE HZ . 19460 1
190 . 1 1 18 18 PHE C C 13 174.716 0.000 . . . . . A 18 PHE C . 19460 1
191 . 1 1 18 18 PHE CA C 13 57.809 0.000 . . . . . A 18 PHE CA . 19460 1
192 . 1 1 18 18 PHE CB C 13 41.528 0.000 . . . . . A 18 PHE CB . 19460 1
193 . 1 1 18 18 PHE CD1 C 13 132.378 0.000 . . . . . A 18 PHE CD1 . 19460 1
194 . 1 1 18 18 PHE CE1 C 13 131.011 0.000 . . . . . A 18 PHE CE1 . 19460 1
195 . 1 1 18 18 PHE CZ C 13 128.823 0.000 . . . . . A 18 PHE CZ . 19460 1
196 . 1 1 18 18 PHE N N 15 122.971 0.000 . . . . . A 18 PHE N . 19460 1
197 . 1 1 19 19 ASP H H 1 8.001 0.001 . . . . . A 19 ASP H . 19460 1
198 . 1 1 19 19 ASP HA H 1 4.882 0.000 . . . . . A 19 ASP HA . 19460 1
199 . 1 1 19 19 ASP HB2 H 1 2.300 0.000 . . . . . A 19 ASP HB2 . 19460 1
200 . 1 1 19 19 ASP HB3 H 1 2.755 0.000 . . . . . A 19 ASP HB3 . 19460 1
201 . 1 1 19 19 ASP C C 13 176.264 0.000 . . . . . A 19 ASP C . 19460 1
202 . 1 1 19 19 ASP CA C 13 51.600 0.000 . . . . . A 19 ASP CA . 19460 1
203 . 1 1 19 19 ASP CB C 13 38.276 0.000 . . . . . A 19 ASP CB . 19460 1
204 . 1 1 19 19 ASP N N 15 126.991 0.035 . . . . . A 19 ASP N . 19460 1
205 . 1 1 20 20 CYS H H 1 8.487 0.003 . . . . . A 20 CYS H . 19460 1
206 . 1 1 20 20 CYS HA H 1 4.764 0.000 . . . . . A 20 CYS HA . 19460 1
207 . 1 1 20 20 CYS HB2 H 1 3.016 0.000 . . . . . A 20 CYS HB2 . 19460 1
208 . 1 1 20 20 CYS HB3 H 1 2.917 0.000 . . . . . A 20 CYS HB3 . 19460 1
209 . 1 1 20 20 CYS C C 13 176.853 0.000 . . . . . A 20 CYS C . 19460 1
210 . 1 1 20 20 CYS CA C 13 57.204 0.000 . . . . . A 20 CYS CA . 19460 1
211 . 1 1 20 20 CYS CB C 13 38.893 0.024 . . . . . A 20 CYS CB . 19460 1
212 . 1 1 20 20 CYS N N 15 125.111 0.059 . . . . . A 20 CYS N . 19460 1
213 . 1 1 21 21 ARG H H 1 8.632 0.001 . . . . . A 21 ARG H . 19460 1
214 . 1 1 21 21 ARG HA H 1 3.963 0.000 . . . . . A 21 ARG HA . 19460 1
215 . 1 1 21 21 ARG HB2 H 1 1.971 0.000 . . . . . A 21 ARG HB2 . 19460 1
216 . 1 1 21 21 ARG HB3 H 1 1.890 0.000 . . . . . A 21 ARG HB3 . 19460 1
217 . 1 1 21 21 ARG HG2 H 1 1.824 0.001 . . . . . A 21 ARG HG2 . 19460 1
218 . 1 1 21 21 ARG HG3 H 1 1.653 0.000 . . . . . A 21 ARG HG3 . 19460 1
219 . 1 1 21 21 ARG HD2 H 1 3.225 0.000 . . . . . A 21 ARG HD2 . 19460 1
220 . 1 1 21 21 ARG HD3 H 1 3.225 0.000 . . . . . A 21 ARG HD3 . 19460 1
221 . 1 1 21 21 ARG HE H 1 7.176 0.000 . . . . . A 21 ARG HE . 19460 1
222 . 1 1 21 21 ARG C C 13 178.814 0.000 . . . . . A 21 ARG C . 19460 1
223 . 1 1 21 21 ARG CA C 13 59.324 0.000 . . . . . A 21 ARG CA . 19460 1
224 . 1 1 21 21 ARG CB C 13 28.789 0.033 . . . . . A 21 ARG CB . 19460 1
225 . 1 1 21 21 ARG CG C 13 27.262 0.000 . . . . . A 21 ARG CG . 19460 1
226 . 1 1 21 21 ARG CD C 13 43.164 0.000 . . . . . A 21 ARG CD . 19460 1
227 . 1 1 21 21 ARG N N 15 121.691 0.008 . . . . . A 21 ARG N . 19460 1
228 . 1 1 21 21 ARG NE N 15 88.8 0.000 . . . . . A 21 ARG NE . 19460 1
229 . 1 1 22 22 ARG H H 1 7.715 0.000 . . . . . A 22 ARG H . 19460 1
230 . 1 1 22 22 ARG HA H 1 3.854 0.000 . . . . . A 22 ARG HA . 19460 1
231 . 1 1 22 22 ARG HB2 H 1 1.751 0.001 . . . . . A 22 ARG HB2 . 19460 1
232 . 1 1 22 22 ARG HB3 H 1 1.751 0.001 . . . . . A 22 ARG HB3 . 19460 1
233 . 1 1 22 22 ARG HG2 H 1 1.577 0.001 . . . . . A 22 ARG HG2 . 19460 1
234 . 1 1 22 22 ARG HG3 H 1 1.462 0.000 . . . . . A 22 ARG HG3 . 19460 1
235 . 1 1 22 22 ARG HD2 H 1 3.123 0.000 . . . . . A 22 ARG HD2 . 19460 1
236 . 1 1 22 22 ARG HD3 H 1 3.123 0.000 . . . . . A 22 ARG HD3 . 19460 1
237 . 1 1 22 22 ARG HE H 1 7.328 0.000 . . . . . A 22 ARG HE . 19460 1
238 . 1 1 22 22 ARG C C 13 178.224 0.000 . . . . . A 22 ARG C . 19460 1
239 . 1 1 22 22 ARG CA C 13 58.746 0.000 . . . . . A 22 ARG CA . 19460 1
240 . 1 1 22 22 ARG CB C 13 29.730 0.070 . . . . . A 22 ARG CB . 19460 1
241 . 1 1 22 22 ARG CG C 13 26.485 0.088 . . . . . A 22 ARG CG . 19460 1
242 . 1 1 22 22 ARG CD C 13 43.578 0.000 . . . . . A 22 ARG CD . 19460 1
243 . 1 1 22 22 ARG N N 15 121.608 0.042 . . . . . A 22 ARG N . 19460 1
244 . 1 1 22 22 ARG NE N 15 88.3 0.000 . . . . . A 22 ARG NE . 19460 1
245 . 1 1 23 23 SER H H 1 7.396 0.000 . . . . . A 23 SER H . 19460 1
246 . 1 1 23 23 SER HA H 1 4.343 0.000 . . . . . A 23 SER HA . 19460 1
247 . 1 1 23 23 SER HB2 H 1 4.238 0.000 . . . . . A 23 SER HB2 . 19460 1
248 . 1 1 23 23 SER HB3 H 1 4.102 0.007 . . . . . A 23 SER HB3 . 19460 1
249 . 1 1 23 23 SER C C 13 176.057 0.000 . . . . . A 23 SER C . 19460 1
250 . 1 1 23 23 SER CA C 13 63.704 0.000 . . . . . A 23 SER CA . 19460 1
251 . 1 1 23 23 SER CB C 13 63.778 0.000 . . . . . A 23 SER CB . 19460 1
252 . 1 1 23 23 SER N N 15 116.868 0.000 . . . . . A 23 SER N . 19460 1
253 . 1 1 24 24 LEU H H 1 8.359 0.000 . . . . . A 24 LEU H . 19460 1
254 . 1 1 24 24 LEU HA H 1 4.217 0.004 . . . . . A 24 LEU HA . 19460 1
255 . 1 1 24 24 LEU HB2 H 1 1.428 0.002 . . . . . A 24 LEU HB2 . 19460 1
256 . 1 1 24 24 LEU HB3 H 1 1.997 0.000 . . . . . A 24 LEU HB3 . 19460 1
257 . 1 1 24 24 LEU HG H 1 1.461 0.000 . . . . . A 24 LEU HG . 19460 1
258 . 1 1 24 24 LEU HD11 H 1 0.913 0.000 . . . . . A 24 LEU HD11 . 19460 1
259 . 1 1 24 24 LEU HD12 H 1 0.913 0.000 . . . . . A 24 LEU HD12 . 19460 1
260 . 1 1 24 24 LEU HD13 H 1 0.913 0.000 . . . . . A 24 LEU HD13 . 19460 1
261 . 1 1 24 24 LEU HD21 H 1 0.919 0.000 . . . . . A 24 LEU HD21 . 19460 1
262 . 1 1 24 24 LEU HD22 H 1 0.919 0.000 . . . . . A 24 LEU HD22 . 19460 1
263 . 1 1 24 24 LEU HD23 H 1 0.919 0.000 . . . . . A 24 LEU HD23 . 19460 1
264 . 1 1 24 24 LEU C C 13 181.511 0.000 . . . . . A 24 LEU C . 19460 1
265 . 1 1 24 24 LEU CA C 13 57.641 0.000 . . . . . A 24 LEU CA . 19460 1
266 . 1 1 24 24 LEU CB C 13 41.548 0.000 . . . . . A 24 LEU CB . 19460 1
267 . 1 1 24 24 LEU CG C 13 26.641 0.040 . . . . . A 24 LEU CG . 19460 1
268 . 1 1 24 24 LEU CD1 C 13 23.306 0.047 . . . . . A 24 LEU CD1 . 19460 1
269 . 1 1 24 24 LEU CD2 C 13 26.035 0.000 . . . . . A 24 LEU CD2 . 19460 1
270 . 1 1 24 24 LEU N N 15 122.517 0.000 . . . . . A 24 LEU N . 19460 1
271 . 1 1 25 25 ARG H H 1 8.055 0.004 . . . . . A 25 ARG H . 19460 1
272 . 1 1 25 25 ARG HA H 1 4.043 0.000 . . . . . A 25 ARG HA . 19460 1
273 . 1 1 25 25 ARG HB2 H 1 1.939 0.001 . . . . . A 25 ARG HB2 . 19460 1
274 . 1 1 25 25 ARG HB3 H 1 1.939 0.001 . . . . . A 25 ARG HB3 . 19460 1
275 . 1 1 25 25 ARG HG2 H 1 1.695 0.001 . . . . . A 25 ARG HG2 . 19460 1
276 . 1 1 25 25 ARG HG3 H 1 1.791 0.003 . . . . . A 25 ARG HG3 . 19460 1
277 . 1 1 25 25 ARG HE H 1 7.298 0.000 . . . . . A 25 ARG HE . 19460 1
278 . 1 1 25 25 ARG C C 13 177.458 0.000 . . . . . A 25 ARG C . 19460 1
279 . 1 1 25 25 ARG CA C 13 58.463 0.060 . . . . . A 25 ARG CA . 19460 1
280 . 1 1 25 25 ARG CB C 13 29.743 0.017 . . . . . A 25 ARG CB . 19460 1
281 . 1 1 25 25 ARG CG C 13 27.154 0.043 . . . . . A 25 ARG CG . 19460 1
282 . 1 1 25 25 ARG N N 15 120.439 0.017 . . . . . A 25 ARG N . 19460 1
283 . 1 1 25 25 ARG NE N 15 88.6 0.000 . . . . . A 25 ARG NE . 19460 1
284 . 1 1 26 26 ASN H H 1 8.145 0.000 . . . . . A 26 ASN H . 19460 1
285 . 1 1 26 26 ASN HA H 1 4.699 0.000 . . . . . A 26 ASN HA . 19460 1
286 . 1 1 26 26 ASN HB2 H 1 2.980 0.000 . . . . . A 26 ASN HB2 . 19460 1
287 . 1 1 26 26 ASN HB3 H 1 2.854 0.002 . . . . . A 26 ASN HB3 . 19460 1
288 . 1 1 26 26 ASN C C 13 175.704 0.000 . . . . . A 26 ASN C . 19460 1
289 . 1 1 26 26 ASN CA C 13 52.841 0.091 . . . . . A 26 ASN CA . 19460 1
290 . 1 1 26 26 ASN CB C 13 38.803 0.000 . . . . . A 26 ASN CB . 19460 1
291 . 1 1 26 26 ASN N N 15 116.132 0.000 . . . . . A 26 ASN N . 19460 1
292 . 1 1 26 26 ASN ND2 N 15 111.039 0.032 . . . . . A 26 ASN ND2 . 19460 1
293 . 1 1 27 27 GLY H H 1 7.682 0.000 . . . . . A 27 GLY H . 19460 1
294 . 1 1 27 27 GLY HA2 H 1 4.366 0.000 . . . . . A 27 GLY HA2 . 19460 1
295 . 1 1 27 27 GLY HA3 H 1 4.081 0.000 . . . . . A 27 GLY HA3 . 19460 1
296 . 1 1 27 27 GLY C C 13 177.045 0.000 . . . . . A 27 GLY C . 19460 1
297 . 1 1 27 27 GLY CA C 13 45.643 0.000 . . . . . A 27 GLY CA . 19460 1
298 . 1 1 27 27 GLY N N 15 106.366 0.000 . . . . . A 27 GLY N . 19460 1
299 . 1 1 28 28 ASP H H 1 8.422 0.000 . . . . . A 28 ASP H . 19460 1
300 . 1 1 28 28 ASP HA H 1 4.346 0.000 . . . . . A 28 ASP HA . 19460 1
301 . 1 1 28 28 ASP HB2 H 1 2.863 0.000 . . . . . A 28 ASP HB2 . 19460 1
302 . 1 1 28 28 ASP HB3 H 1 2.750 0.001 . . . . . A 28 ASP HB3 . 19460 1
303 . 1 1 28 28 ASP C C 13 177.885 0.000 . . . . . A 28 ASP C . 19460 1
304 . 1 1 28 28 ASP CA C 13 57.373 0.043 . . . . . A 28 ASP CA . 19460 1
305 . 1 1 28 28 ASP CB C 13 41.212 0.000 . . . . . A 28 ASP CB . 19460 1
306 . 1 1 28 28 ASP N N 15 120.906 0.004 . . . . . A 28 ASP N . 19460 1
307 . 1 1 29 29 CYS H H 1 8.230 0.001 . . . . . A 29 CYS H . 19460 1
308 . 1 1 29 29 CYS HA H 1 4.223 0.000 . . . . . A 29 CYS HA . 19460 1
309 . 1 1 29 29 CYS HB2 H 1 2.919 0.000 . . . . . A 29 CYS HB2 . 19460 1
310 . 1 1 29 29 CYS HB3 H 1 2.919 0.000 . . . . . A 29 CYS HB3 . 19460 1
311 . 1 1 29 29 CYS C C 13 174.539 0.000 . . . . . A 29 CYS C . 19460 1
312 . 1 1 29 29 CYS CA C 13 54.702 0.025 . . . . . A 29 CYS CA . 19460 1
313 . 1 1 29 29 CYS CB C 13 33.480 0.024 . . . . . A 29 CYS CB . 19460 1
314 . 1 1 29 29 CYS N N 15 112.883 0.000 . . . . . A 29 CYS N . 19460 1
315 . 1 1 30 30 ASP H H 1 7.303 0.001 . . . . . A 30 ASP H . 19460 1
316 . 1 1 30 30 ASP HA H 1 4.905 0.002 . . . . . A 30 ASP HA . 19460 1
317 . 1 1 30 30 ASP HB2 H 1 2.413 0.000 . . . . . A 30 ASP HB2 . 19460 1
318 . 1 1 30 30 ASP HB3 H 1 2.901 0.000 . . . . . A 30 ASP HB3 . 19460 1
319 . 1 1 30 30 ASP C C 13 174.245 0.000 . . . . . A 30 ASP C . 19460 1
320 . 1 1 30 30 ASP CA C 13 52.794 0.032 . . . . . A 30 ASP CA . 19460 1
321 . 1 1 30 30 ASP CB C 13 42.028 0.000 . . . . . A 30 ASP CB . 19460 1
322 . 1 1 30 30 ASP N N 15 115.191 0.013 . . . . . A 30 ASP N . 19460 1
323 . 1 1 31 31 ASN H H 1 7.137 0.001 . . . . . A 31 ASN H . 19460 1
324 . 1 1 31 31 ASN HA H 1 4.826 0.000 . . . . . A 31 ASN HA . 19460 1
325 . 1 1 31 31 ASN HB2 H 1 2.878 0.000 . . . . . A 31 ASN HB2 . 19460 1
326 . 1 1 31 31 ASN HB3 H 1 3.073 0.000 . . . . . A 31 ASN HB3 . 19460 1
327 . 1 1 31 31 ASN C C 13 176.706 0.000 . . . . . A 31 ASN C . 19460 1
328 . 1 1 31 31 ASN CA C 13 51.456 0.000 . . . . . A 31 ASN CA . 19460 1
329 . 1 1 31 31 ASN CB C 13 39.474 0.059 . . . . . A 31 ASN CB . 19460 1
330 . 1 1 31 31 ASN N N 15 119.001 0.040 . . . . . A 31 ASN N . 19460 1
331 . 1 1 31 31 ASN ND2 N 15 111.769 0.019 . . . . . A 31 ASN ND2 . 19460 1
332 . 1 1 32 32 ASP H H 1 9.301 0.000 . . . . . A 32 ASP H . 19460 1
333 . 1 1 32 32 ASP HA H 1 4.350 0.000 . . . . . A 32 ASP HA . 19460 1
334 . 1 1 32 32 ASP HB2 H 1 2.698 0.000 . . . . . A 32 ASP HB2 . 19460 1
335 . 1 1 32 32 ASP HB3 H 1 2.752 0.000 . . . . . A 32 ASP HB3 . 19460 1
336 . 1 1 32 32 ASP C C 13 177.752 0.000 . . . . . A 32 ASP C . 19460 1
337 . 1 1 32 32 ASP CA C 13 57.559 0.000 . . . . . A 32 ASP CA . 19460 1
338 . 1 1 32 32 ASP CB C 13 40.323 0.123 . . . . . A 32 ASP CB . 19460 1
339 . 1 1 32 32 ASP N N 15 128.541 0.000 . . . . . A 32 ASP N . 19460 1
340 . 1 1 33 33 ASP H H 1 8.350 0.000 . . . . . A 33 ASP H . 19460 1
341 . 1 1 33 33 ASP HA H 1 4.591 0.002 . . . . . A 33 ASP HA . 19460 1
342 . 1 1 33 33 ASP HB2 H 1 2.754 0.003 . . . . . A 33 ASP HB2 . 19460 1
343 . 1 1 33 33 ASP HB3 H 1 2.697 0.000 . . . . . A 33 ASP HB3 . 19460 1
344 . 1 1 33 33 ASP C C 13 177.369 0.000 . . . . . A 33 ASP C . 19460 1
345 . 1 1 33 33 ASP CA C 13 56.029 0.000 . . . . . A 33 ASP CA . 19460 1
346 . 1 1 33 33 ASP CB C 13 40.487 0.025 . . . . . A 33 ASP CB . 19460 1
347 . 1 1 33 33 ASP N N 15 117.374 0.000 . . . . . A 33 ASP N . 19460 1
348 . 1 1 34 34 LYS H H 1 7.923 0.001 . . . . . A 34 LYS H . 19460 1
349 . 1 1 34 34 LYS HA H 1 4.817 0.000 . . . . . A 34 LYS HA . 19460 1
350 . 1 1 34 34 LYS HB2 H 1 2.176 0.000 . . . . . A 34 LYS HB2 . 19460 1
351 . 1 1 34 34 LYS HB3 H 1 2.146 0.000 . . . . . A 34 LYS HB3 . 19460 1
352 . 1 1 34 34 LYS HG2 H 1 1.376 0.000 . . . . . A 34 LYS HG2 . 19460 1
353 . 1 1 34 34 LYS HG3 H 1 1.309 0.002 . . . . . A 34 LYS HG3 . 19460 1
354 . 1 1 34 34 LYS HD2 H 1 1.567 0.002 . . . . . A 34 LYS HD2 . 19460 1
355 . 1 1 34 34 LYS HD3 H 1 1.567 0.002 . . . . . A 34 LYS HD3 . 19460 1
356 . 1 1 34 34 LYS C C 13 175.969 0.000 . . . . . A 34 LYS C . 19460 1
357 . 1 1 34 34 LYS CA C 13 54.197 0.000 . . . . . A 34 LYS CA . 19460 1
358 . 1 1 34 34 LYS CB C 13 33.697 0.058 . . . . . A 34 LYS CB . 19460 1
359 . 1 1 34 34 LYS CG C 13 24.709 0.075 . . . . . A 34 LYS CG . 19460 1
360 . 1 1 34 34 LYS CD C 13 28.842 0.026 . . . . . A 34 LYS CD . 19460 1
361 . 1 1 34 34 LYS N N 15 116.891 0.037 . . . . . A 34 LYS N . 19460 1
362 . 1 1 35 35 LEU H H 1 7.205 0.000 . . . . . A 35 LEU H . 19460 1
363 . 1 1 35 35 LEU HA H 1 4.120 0.003 . . . . . A 35 LEU HA . 19460 1
364 . 1 1 35 35 LEU HB2 H 1 1.573 0.000 . . . . . A 35 LEU HB2 . 19460 1
365 . 1 1 35 35 LEU HB3 H 1 1.745 0.000 . . . . . A 35 LEU HB3 . 19460 1
366 . 1 1 35 35 LEU HG H 1 1.672 0.001 . . . . . A 35 LEU HG . 19460 1
367 . 1 1 35 35 LEU HD11 H 1 0.824 0.000 . . . . . A 35 LEU HD11 . 19460 1
368 . 1 1 35 35 LEU HD12 H 1 0.824 0.000 . . . . . A 35 LEU HD12 . 19460 1
369 . 1 1 35 35 LEU HD13 H 1 0.824 0.000 . . . . . A 35 LEU HD13 . 19460 1
370 . 1 1 35 35 LEU HD21 H 1 0.824 0.000 . . . . . A 35 LEU HD21 . 19460 1
371 . 1 1 35 35 LEU HD22 H 1 0.824 0.000 . . . . . A 35 LEU HD22 . 19460 1
372 . 1 1 35 35 LEU HD23 H 1 0.824 0.000 . . . . . A 35 LEU HD23 . 19460 1
373 . 1 1 35 35 LEU C C 13 179.683 0.000 . . . . . A 35 LEU C . 19460 1
374 . 1 1 35 35 LEU CA C 13 58.767 0.029 . . . . . A 35 LEU CA . 19460 1
375 . 1 1 35 35 LEU CB C 13 42.354 0.029 . . . . . A 35 LEU CB . 19460 1
376 . 1 1 35 35 LEU CG C 13 26.731 0.056 . . . . . A 35 LEU CG . 19460 1
377 . 1 1 35 35 LEU CD1 C 13 24.358 0.000 . . . . . A 35 LEU CD1 . 19460 1
378 . 1 1 35 35 LEU CD2 C 13 24.358 0.000 . . . . . A 35 LEU CD2 . 19460 1
379 . 1 1 35 35 LEU N N 15 121.373 0.000 . . . . . A 35 LEU N . 19460 1
380 . 1 1 36 36 LEU H H 1 8.348 0.000 . . . . . A 36 LEU H . 19460 1
381 . 1 1 36 36 LEU HA H 1 4.025 0.000 . . . . . A 36 LEU HA . 19460 1
382 . 1 1 36 36 LEU HB2 H 1 1.511 0.001 . . . . . A 36 LEU HB2 . 19460 1
383 . 1 1 36 36 LEU HB3 H 1 1.729 0.000 . . . . . A 36 LEU HB3 . 19460 1
384 . 1 1 36 36 LEU HG H 1 1.613 0.000 . . . . . A 36 LEU HG . 19460 1
385 . 1 1 36 36 LEU HD11 H 1 0.831 0.000 . . . . . A 36 LEU HD11 . 19460 1
386 . 1 1 36 36 LEU HD12 H 1 0.831 0.000 . . . . . A 36 LEU HD12 . 19460 1
387 . 1 1 36 36 LEU HD13 H 1 0.831 0.000 . . . . . A 36 LEU HD13 . 19460 1
388 . 1 1 36 36 LEU HD21 H 1 0.892 0.000 . . . . . A 36 LEU HD21 . 19460 1
389 . 1 1 36 36 LEU HD22 H 1 0.892 0.000 . . . . . A 36 LEU HD22 . 19460 1
390 . 1 1 36 36 LEU HD23 H 1 0.892 0.000 . . . . . A 36 LEU HD23 . 19460 1
391 . 1 1 36 36 LEU C C 13 179.890 0.000 . . . . . A 36 LEU C . 19460 1
392 . 1 1 36 36 LEU CA C 13 57.683 0.006 . . . . . A 36 LEU CA . 19460 1
393 . 1 1 36 36 LEU CB C 13 40.586 0.025 . . . . . A 36 LEU CB . 19460 1
394 . 1 1 36 36 LEU CG C 13 26.863 0.006 . . . . . A 36 LEU CG . 19460 1
395 . 1 1 36 36 LEU CD1 C 13 23.292 0.026 . . . . . A 36 LEU CD1 . 19460 1
396 . 1 1 36 36 LEU CD2 C 13 24.536 0.017 . . . . . A 36 LEU CD2 . 19460 1
397 . 1 1 36 36 LEU N N 15 119.471 0.000 . . . . . A 36 LEU N . 19460 1
398 . 1 1 37 37 GLU H H 1 8.097 0.000 . . . . . A 37 GLU H . 19460 1
399 . 1 1 37 37 GLU HA H 1 4.061 0.001 . . . . . A 37 GLU HA . 19460 1
400 . 1 1 37 37 GLU HB2 H 1 2.191 0.000 . . . . . A 37 GLU HB2 . 19460 1
401 . 1 1 37 37 GLU HB3 H 1 2.144 0.002 . . . . . A 37 GLU HB3 . 19460 1
402 . 1 1 37 37 GLU HG2 H 1 2.422 0.000 . . . . . A 37 GLU HG2 . 19460 1
403 . 1 1 37 37 GLU HG3 H 1 2.326 0.000 . . . . . A 37 GLU HG3 . 19460 1
404 . 1 1 37 37 GLU C C 13 179.035 0.000 . . . . . A 37 GLU C . 19460 1
405 . 1 1 37 37 GLU CA C 13 59.318 0.040 . . . . . A 37 GLU CA . 19460 1
406 . 1 1 37 37 GLU CB C 13 29.679 0.028 . . . . . A 37 GLU CB . 19460 1
407 . 1 1 37 37 GLU CG C 13 36.445 0.035 . . . . . A 37 GLU CG . 19460 1
408 . 1 1 37 37 GLU N N 15 120.392 0.000 . . . . . A 37 GLU N . 19460 1
409 . 1 1 38 38 MET H H 1 9.155 0.001 . . . . . A 38 MET H . 19460 1
410 . 1 1 38 38 MET HA H 1 4.445 0.000 . . . . . A 38 MET HA . 19460 1
411 . 1 1 38 38 MET HB2 H 1 1.879 0.000 . . . . . A 38 MET HB2 . 19460 1
412 . 1 1 38 38 MET HB3 H 1 2.419 0.000 . . . . . A 38 MET HB3 . 19460 1
413 . 1 1 38 38 MET HG2 H 1 2.454 0.001 . . . . . A 38 MET HG2 . 19460 1
414 . 1 1 38 38 MET HG3 H 1 2.863 0.006 . . . . . A 38 MET HG3 . 19460 1
415 . 1 1 38 38 MET HE1 H 1 2.157 0.000 . . . . . A 38 MET HE1 . 19460 1
416 . 1 1 38 38 MET HE2 H 1 2.157 0.000 . . . . . A 38 MET HE2 . 19460 1
417 . 1 1 38 38 MET HE3 H 1 2.157 0.000 . . . . . A 38 MET HE3 . 19460 1
418 . 1 1 38 38 MET C C 13 179.256 0.000 . . . . . A 38 MET C . 19460 1
419 . 1 1 38 38 MET CA C 13 56.610 0.069 . . . . . A 38 MET CA . 19460 1
420 . 1 1 38 38 MET CB C 13 34.840 0.066 . . . . . A 38 MET CB . 19460 1
421 . 1 1 38 38 MET CG C 13 34.518 0.037 . . . . . A 38 MET CG . 19460 1
422 . 1 1 38 38 MET CE C 13 21.364 0.029 . . . . . A 38 MET CE . 19460 1
423 . 1 1 38 38 MET N N 15 118.342 0.034 . . . . . A 38 MET N . 19460 1
424 . 1 1 39 39 GLY H H 1 8.440 0.000 . . . . . A 39 GLY H . 19460 1
425 . 1 1 39 39 GLY HA2 H 1 3.714 0.000 . . . . . A 39 GLY HA2 . 19460 1
426 . 1 1 39 39 GLY HA3 H 1 3.516 0.000 . . . . . A 39 GLY HA3 . 19460 1
427 . 1 1 39 39 GLY C C 13 173.758 0.000 . . . . . A 39 GLY C . 19460 1
428 . 1 1 39 39 GLY CA C 13 46.432 0.010 . . . . . A 39 GLY CA . 19460 1
429 . 1 1 39 39 GLY N N 15 106.622 0.034 . . . . . A 39 GLY N . 19460 1
430 . 1 1 40 40 TYR H H 1 7.273 0.001 . . . . . A 40 TYR H . 19460 1
431 . 1 1 40 40 TYR HA H 1 4.346 0.001 . . . . . A 40 TYR HA . 19460 1
432 . 1 1 40 40 TYR HB2 H 1 2.559 0.000 . . . . . A 40 TYR HB2 . 19460 1
433 . 1 1 40 40 TYR HB3 H 1 2.771 0.000 . . . . . A 40 TYR HB3 . 19460 1
434 . 1 1 40 40 TYR HD1 H 1 6.241 0.000 . . . . . A 40 TYR HD1 . 19460 1
435 . 1 1 40 40 TYR HD2 H 1 6.241 0.000 . . . . . A 40 TYR HD2 . 19460 1
436 . 1 1 40 40 TYR HE1 H 1 6.560 0.000 . . . . . A 40 TYR HE1 . 19460 1
437 . 1 1 40 40 TYR HE2 H 1 6.560 0.000 . . . . . A 40 TYR HE2 . 19460 1
438 . 1 1 40 40 TYR C C 13 177.030 0.000 . . . . . A 40 TYR C . 19460 1
439 . 1 1 40 40 TYR CA C 13 59.352 0.014 . . . . . A 40 TYR CA . 19460 1
440 . 1 1 40 40 TYR CB C 13 38.824 0.062 . . . . . A 40 TYR CB . 19460 1
441 . 1 1 40 40 TYR CD1 C 13 132.515 0.000 . . . . . A 40 TYR CD1 . 19460 1
442 . 1 1 40 40 TYR CE1 C 13 117.954 0.000 . . . . . A 40 TYR CE1 . 19460 1
443 . 1 1 40 40 TYR N N 15 118.149 0.031 . . . . . A 40 TYR N . 19460 1
444 . 1 1 41 41 TYR H H 1 8.406 0.000 . . . . . A 41 TYR H . 19460 1
445 . 1 1 41 41 TYR HA H 1 4.264 0.001 . . . . . A 41 TYR HA . 19460 1
446 . 1 1 41 41 TYR HB2 H 1 2.084 0.000 . . . . . A 41 TYR HB2 . 19460 1
447 . 1 1 41 41 TYR HB3 H 1 2.298 0.000 . . . . . A 41 TYR HB3 . 19460 1
448 . 1 1 41 41 TYR HD1 H 1 6.862 0.000 . . . . . A 41 TYR HD1 . 19460 1
449 . 1 1 41 41 TYR HD2 H 1 6.862 0.000 . . . . . A 41 TYR HD2 . 19460 1
450 . 1 1 41 41 TYR HE1 H 1 6.888 0.003 . . . . . A 41 TYR HE1 . 19460 1
451 . 1 1 41 41 TYR HE2 H 1 6.888 0.003 . . . . . A 41 TYR HE2 . 19460 1
452 . 1 1 41 41 TYR C C 13 176.735 0.000 . . . . . A 41 TYR C . 19460 1
453 . 1 1 41 41 TYR CA C 13 60.472 0.021 . . . . . A 41 TYR CA . 19460 1
454 . 1 1 41 41 TYR CB C 13 40.328 0.031 . . . . . A 41 TYR CB . 19460 1
455 . 1 1 41 41 TYR CD1 C 13 132.978 0.000 . . . . . A 41 TYR CD1 . 19460 1
456 . 1 1 41 41 TYR CE1 C 13 117.680 0.000 . . . . . A 41 TYR CE1 . 19460 1
457 . 1 1 41 41 TYR N N 15 114.236 0.034 . . . . . A 41 TYR N . 19460 1
458 . 1 1 42 42 CYS H H 1 8.263 0.004 . . . . . A 42 CYS H . 19460 1
459 . 1 1 42 42 CYS HA H 1 5.867 0.001 . . . . . A 42 CYS HA . 19460 1
460 . 1 1 42 42 CYS HB2 H 1 3.360 0.000 . . . . . A 42 CYS HB2 . 19460 1
461 . 1 1 42 42 CYS HB3 H 1 3.014 0.001 . . . . . A 42 CYS HB3 . 19460 1
462 . 1 1 42 42 CYS CA C 13 52.180 0.039 . . . . . A 42 CYS CA . 19460 1
463 . 1 1 42 42 CYS CB C 13 42.060 0.030 . . . . . A 42 CYS CB . 19460 1
464 . 1 1 42 42 CYS N N 15 114.860 0.039 . . . . . A 42 CYS N . 19460 1
465 . 1 1 43 43 PRO HA H 1 4.110 0.001 . . . . . A 43 PRO HA . 19460 1
466 . 1 1 43 43 PRO HB2 H 1 2.204 0.001 . . . . . A 43 PRO HB2 . 19460 1
467 . 1 1 43 43 PRO HB3 H 1 2.332 0.000 . . . . . A 43 PRO HB3 . 19460 1
468 . 1 1 43 43 PRO HG2 H 1 2.123 0.001 . . . . . A 43 PRO HG2 . 19460 1
469 . 1 1 43 43 PRO HG3 H 1 1.658 0.001 . . . . . A 43 PRO HG3 . 19460 1
470 . 1 1 43 43 PRO HD2 H 1 3.722 0.000 . . . . . A 43 PRO HD2 . 19460 1
471 . 1 1 43 43 PRO HD3 H 1 3.311 0.000 . . . . . A 43 PRO HD3 . 19460 1
472 . 1 1 43 43 PRO C C 13 178.696 0.000 . . . . . A 43 PRO C . 19460 1
473 . 1 1 43 43 PRO CA C 13 65.933 0.029 . . . . . A 43 PRO CA . 19460 1
474 . 1 1 43 43 PRO CB C 13 30.667 0.000 . . . . . A 43 PRO CB . 19460 1
475 . 1 1 43 43 PRO CG C 13 28.824 0.047 . . . . . A 43 PRO CG . 19460 1
476 . 1 1 43 43 PRO CD C 13 50.394 0.041 . . . . . A 43 PRO CD . 19460 1
477 . 1 1 44 44 VAL H H 1 7.765 0.000 . . . . . A 44 VAL H . 19460 1
478 . 1 1 44 44 VAL HA H 1 3.950 0.001 . . . . . A 44 VAL HA . 19460 1
479 . 1 1 44 44 VAL HB H 1 2.005 0.001 . . . . . A 44 VAL HB . 19460 1
480 . 1 1 44 44 VAL HG11 H 1 0.851 0.001 . . . . . A 44 VAL HG11 . 19460 1
481 . 1 1 44 44 VAL HG12 H 1 0.851 0.001 . . . . . A 44 VAL HG12 . 19460 1
482 . 1 1 44 44 VAL HG13 H 1 0.851 0.001 . . . . . A 44 VAL HG13 . 19460 1
483 . 1 1 44 44 VAL HG21 H 1 0.894 0.001 . . . . . A 44 VAL HG21 . 19460 1
484 . 1 1 44 44 VAL HG22 H 1 0.894 0.001 . . . . . A 44 VAL HG22 . 19460 1
485 . 1 1 44 44 VAL HG23 H 1 0.894 0.001 . . . . . A 44 VAL HG23 . 19460 1
486 . 1 1 44 44 VAL C C 13 181.231 0.000 . . . . . A 44 VAL C . 19460 1
487 . 1 1 44 44 VAL CA C 13 65.088 0.015 . . . . . A 44 VAL CA . 19460 1
488 . 1 1 44 44 VAL CB C 13 31.012 0.010 . . . . . A 44 VAL CB . 19460 1
489 . 1 1 44 44 VAL CG1 C 13 24.006 0.035 . . . . . A 44 VAL CG1 . 19460 1
490 . 1 1 44 44 VAL CG2 C 13 21.194 0.032 . . . . . A 44 VAL CG2 . 19460 1
491 . 1 1 44 44 VAL N N 15 119.320 0.000 . . . . . A 44 VAL N . 19460 1
492 . 1 1 45 45 THR H H 1 9.493 0.000 . . . . . A 45 THR H . 19460 1
493 . 1 1 45 45 THR HA H 1 3.932 0.000 . . . . . A 45 THR HA . 19460 1
494 . 1 1 45 45 THR HB H 1 3.767 0.001 . . . . . A 45 THR HB . 19460 1
495 . 1 1 45 45 THR HG21 H 1 1.084 0.001 . . . . . A 45 THR HG21 . 19460 1
496 . 1 1 45 45 THR HG22 H 1 1.084 0.001 . . . . . A 45 THR HG22 . 19460 1
497 . 1 1 45 45 THR HG23 H 1 1.084 0.001 . . . . . A 45 THR HG23 . 19460 1
498 . 1 1 45 45 THR C C 13 176.057 0.000 . . . . . A 45 THR C . 19460 1
499 . 1 1 45 45 THR CA C 13 68.006 0.050 . . . . . A 45 THR CA . 19460 1
500 . 1 1 45 45 THR CB C 13 68.067 0.033 . . . . . A 45 THR CB . 19460 1
501 . 1 1 45 45 THR CG2 C 13 22.214 0.056 . . . . . A 45 THR CG2 . 19460 1
502 . 1 1 45 45 THR N N 15 123.436 0.000 . . . . . A 45 THR N . 19460 1
503 . 1 1 46 46 CYS H H 1 8.217 0.004 . . . . . A 46 CYS H . 19460 1
504 . 1 1 46 46 CYS HA H 1 4.704 0.000 . . . . . A 46 CYS HA . 19460 1
505 . 1 1 46 46 CYS HB2 H 1 1.876 0.000 . . . . . A 46 CYS HB2 . 19460 1
506 . 1 1 46 46 CYS HB3 H 1 2.587 0.000 . . . . . A 46 CYS HB3 . 19460 1
507 . 1 1 46 46 CYS C C 13 174.893 0.000 . . . . . A 46 CYS C . 19460 1
508 . 1 1 46 46 CYS CA C 13 51.191 0.000 . . . . . A 46 CYS CA . 19460 1
509 . 1 1 46 46 CYS CB C 13 33.122 0.021 . . . . . A 46 CYS CB . 19460 1
510 . 1 1 46 46 CYS N N 15 111.562 0.041 . . . . . A 46 CYS N . 19460 1
511 . 1 1 47 47 GLY H H 1 7.634 0.002 . . . . . A 47 GLY H . 19460 1
512 . 1 1 47 47 GLY HA2 H 1 3.955 0.000 . . . . . A 47 GLY HA2 . 19460 1
513 . 1 1 47 47 GLY HA3 H 1 3.955 0.000 . . . . . A 47 GLY HA3 . 19460 1
514 . 1 1 47 47 GLY C C 13 175.247 0.000 . . . . . A 47 GLY C . 19460 1
515 . 1 1 47 47 GLY CA C 13 46.221 0.000 . . . . . A 47 GLY CA . 19460 1
516 . 1 1 47 47 GLY N N 15 108.271 0.011 . . . . . A 47 GLY N . 19460 1
517 . 1 1 48 48 PHE H H 1 8.782 0.000 . . . . . A 48 PHE H . 19460 1
518 . 1 1 48 48 PHE HA H 1 4.711 0.000 . . . . . A 48 PHE HA . 19460 1
519 . 1 1 48 48 PHE HB2 H 1 2.981 0.000 . . . . . A 48 PHE HB2 . 19460 1
520 . 1 1 48 48 PHE HB3 H 1 3.354 0.000 . . . . . A 48 PHE HB3 . 19460 1
521 . 1 1 48 48 PHE HD1 H 1 7.002 0.000 . . . . . A 48 PHE HD1 . 19460 1
522 . 1 1 48 48 PHE HD2 H 1 7.002 0.000 . . . . . A 48 PHE HD2 . 19460 1
523 . 1 1 48 48 PHE HE1 H 1 7.172 0.000 . . . . . A 48 PHE HE1 . 19460 1
524 . 1 1 48 48 PHE HE2 H 1 7.172 0.000 . . . . . A 48 PHE HE2 . 19460 1
525 . 1 1 48 48 PHE HZ H 1 7.364 0.000 . . . . . A 48 PHE HZ . 19460 1
526 . 1 1 48 48 PHE C C 13 175.748 0.000 . . . . . A 48 PHE C . 19460 1
527 . 1 1 48 48 PHE CA C 13 55.736 0.000 . . . . . A 48 PHE CA . 19460 1
528 . 1 1 48 48 PHE CB C 13 37.919 0.015 . . . . . A 48 PHE CB . 19460 1
529 . 1 1 48 48 PHE CD1 C 13 129.712 0.000 . . . . . A 48 PHE CD1 . 19460 1
530 . 1 1 48 48 PHE CE1 C 13 131.421 0.000 . . . . . A 48 PHE CE1 . 19460 1
531 . 1 1 48 48 PHE CZ C 13 129.644 0.000 . . . . . A 48 PHE CZ . 19460 1
532 . 1 1 48 48 PHE N N 15 119.119 0.000 . . . . . A 48 PHE N . 19460 1
533 . 1 1 49 49 CYS H H 1 7.766 0.004 . . . . . A 49 CYS H . 19460 1
534 . 1 1 49 49 CYS HA H 1 4.809 0.000 . . . . . A 49 CYS HA . 19460 1
535 . 1 1 49 49 CYS HB2 H 1 3.205 0.001 . . . . . A 49 CYS HB2 . 19460 1
536 . 1 1 49 49 CYS HB3 H 1 3.282 0.000 . . . . . A 49 CYS HB3 . 19460 1
537 . 1 1 49 49 CYS C C 13 171.710 0.000 . . . . . A 49 CYS C . 19460 1
538 . 1 1 49 49 CYS CA C 13 53.634 0.000 . . . . . A 49 CYS CA . 19460 1
539 . 1 1 49 49 CYS CB C 13 45.018 0.039 . . . . . A 49 CYS CB . 19460 1
540 . 1 1 49 49 CYS N N 15 113.564 0.005 . . . . . A 49 CYS N . 19460 1
541 . 1 1 50 50 GLU H H 1 8.507 0.000 . . . . . A 50 GLU H . 19460 1
542 . 1 1 50 50 GLU HA H 1 4.783 0.000 . . . . . A 50 GLU HA . 19460 1
543 . 1 1 50 50 GLU HB2 H 1 1.891 0.001 . . . . . A 50 GLU HB2 . 19460 1
544 . 1 1 50 50 GLU HB3 H 1 2.056 0.001 . . . . . A 50 GLU HB3 . 19460 1
545 . 1 1 50 50 GLU HG2 H 1 2.306 0.000 . . . . . A 50 GLU HG2 . 19460 1
546 . 1 1 50 50 GLU HG3 H 1 2.306 0.000 . . . . . A 50 GLU HG3 . 19460 1
547 . 1 1 50 50 GLU CA C 13 52.381 0.000 . . . . . A 50 GLU CA . 19460 1
548 . 1 1 50 50 GLU CB C 13 30.194 0.018 . . . . . A 50 GLU CB . 19460 1
549 . 1 1 50 50 GLU CG C 13 35.049 0.000 . . . . . A 50 GLU CG . 19460 1
550 . 1 1 50 50 GLU N N 15 121.996 0.000 . . . . . A 50 GLU N . 19460 1
551 . 1 1 51 51 PRO HA H 1 4.229 0.000 . . . . . A 51 PRO HA . 19460 1
552 . 1 1 51 51 PRO HB2 H 1 1.956 0.001 . . . . . A 51 PRO HB2 . 19460 1
553 . 1 1 51 51 PRO HB3 H 1 2.241 0.001 . . . . . A 51 PRO HB3 . 19460 1
554 . 1 1 51 51 PRO HG2 H 1 2.013 0.001 . . . . . A 51 PRO HG2 . 19460 1
555 . 1 1 51 51 PRO HG3 H 1 1.968 0.003 . . . . . A 51 PRO HG3 . 19460 1
556 . 1 1 51 51 PRO HD2 H 1 3.779 0.001 . . . . . A 51 PRO HD2 . 19460 1
557 . 1 1 51 51 PRO HD3 H 1 3.706 0.013 . . . . . A 51 PRO HD3 . 19460 1
558 . 1 1 51 51 PRO CA C 13 64.182 0.002 . . . . . A 51 PRO CA . 19460 1
559 . 1 1 51 51 PRO CB C 13 31.945 0.022 . . . . . A 51 PRO CB . 19460 1
560 . 1 1 51 51 PRO CG C 13 26.915 0.023 . . . . . A 51 PRO CG . 19460 1
561 . 1 1 51 51 PRO CD C 13 50.284 0.078 . . . . . A 51 PRO CD . 19460 1
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