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 15732
_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' . . . 15732 1
2 '3D CBCA(CO)NH' . . . 15732 1
3 '3D HNCA' . . . 15732 1
4 '3D HNCACB' . . . 15732 1
6 '3D HCCH-TOCSY' . . . 15732 1
7 '3D HNHA' . . . 15732 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 $sparky . . 15732 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 2 2 ARG HA H 1 4.410 0.010 . . . . . . 2 R HA . 15732 1
2 . 1 1 2 2 ARG HB2 H 1 1.890 0.015 . . . . . . 2 R HB1 . 15732 1
3 . 1 1 2 2 ARG HB3 H 1 1.775 0.003 . . . . . . 2 R HB2 . 15732 1
4 . 1 1 2 2 ARG HD2 H 1 3.221 0.008 . . . . . . 2 R HD1 . 15732 1
5 . 1 1 2 2 ARG HD3 H 1 3.233 0.0012 . . . . . . 2 R HD2 . 15732 1
6 . 1 1 2 2 ARG HG2 H 1 1.661 0.005 . . . . . . 2 R HG1 . 15732 1
7 . 1 1 2 2 ARG CA C 13 55.820 0.272 . . . . . . 2 R CA . 15732 1
8 . 1 1 2 2 ARG CB C 13 31.107 0.016 . . . . . . 2 R CB . 15732 1
9 . 1 1 2 2 ARG CD C 13 43.386 0.052 . . . . . . 2 R CD . 15732 1
10 . 1 1 2 2 ARG CG C 13 27.213 0.014 . . . . . . 2 R CG . 15732 1
11 . 1 1 3 3 LEU H H 1 8.540 0.003 . . . . . . 3 L HN . 15732 1
12 . 1 1 3 3 LEU HA H 1 4.303 0.007 . . . . . . 3 L HA . 15732 1
13 . 1 1 3 3 LEU HB2 H 1 1.652 0.012 . . . . . . 3 L HB1 . 15732 1
14 . 1 1 3 3 LEU HB3 H 1 1.647 0.021 . . . . . . 3 L HB2 . 15732 1
15 . 1 1 3 3 LEU HD11 H 1 0.926 0.000 . . . . . . 3 L HD1# . 15732 1
16 . 1 1 3 3 LEU HD12 H 1 0.926 0.000 . . . . . . 3 L HD1# . 15732 1
17 . 1 1 3 3 LEU HD13 H 1 0.926 0.000 . . . . . . 3 L HD1# . 15732 1
18 . 1 1 3 3 LEU HD21 H 1 0.876 0.000 . . . . . . 3 L HD2# . 15732 1
19 . 1 1 3 3 LEU HD22 H 1 0.876 0.000 . . . . . . 3 L HD2# . 15732 1
20 . 1 1 3 3 LEU HD23 H 1 0.876 0.000 . . . . . . 3 L HD2# . 15732 1
21 . 1 1 3 3 LEU HG H 1 1.530 0.021 . . . . . . 3 L HG . 15732 1
22 . 1 1 3 3 LEU CA C 13 55.477 0.232 . . . . . . 3 L CA . 15732 1
23 . 1 1 3 3 LEU CB C 13 42.361 0.021 . . . . . . 3 L CB . 15732 1
24 . 1 1 3 3 LEU CD1 C 13 24.882 0.012 . . . . . . 3 L CD1 . 15732 1
25 . 1 1 3 3 LEU CD2 C 13 23.712 0.012 . . . . . . 3 L CD2 . 15732 1
26 . 1 1 3 3 LEU CG C 13 27.121 0.005 . . . . . . 3 L CG . 15732 1
27 . 1 1 3 3 LEU N N 15 124.420 0.020 . . . . . . 3 L N . 15732 1
28 . 1 1 4 4 ASN H H 1 8.604 0.007 . . . . . . 4 N HN . 15732 1
29 . 1 1 4 4 ASN HA H 1 4.632 0.009 . . . . . . 4 N HA . 15732 1
30 . 1 1 4 4 ASN HB2 H 1 2.869 0.002 . . . . . . 4 N HB1 . 15732 1
31 . 1 1 4 4 ASN HB3 H 1 2.812 0.002 . . . . . . 4 N HB2 . 15732 1
32 . 1 1 4 4 ASN CA C 13 53.588 0.353 . . . . . . 4 N CA . 15732 1
33 . 1 1 4 4 ASN CB C 13 38.338 0.003 . . . . . . 4 N CB . 15732 1
34 . 1 1 4 4 ASN N N 15 118.838 0.071 . . . . . . 4 N N . 15732 1
35 . 1 1 5 5 GLU H H 1 8.310 0.011 . . . . . . 5 E HN . 15732 1
36 . 1 1 5 5 GLU HA H 1 4.192 0.012 . . . . . . 5 E HA . 15732 1
37 . 1 1 5 5 GLU HB2 H 1 2.068 0.003 . . . . . . 5 E HB# . 15732 1
38 . 1 1 5 5 GLU HB3 H 1 2.068 0.003 . . . . . . 5 E HB# . 15732 1
39 . 1 1 5 5 GLU HG2 H 1 2.292 0.005 . . . . . . 5 E HG# . 15732 1
40 . 1 1 5 5 GLU HG3 H 1 2.292 0.005 . . . . . . 5 E HG# . 15732 1
41 . 1 1 5 5 GLU CA C 13 58.006 0.216 . . . . . . 5 E CA . 15732 1
42 . 1 1 5 5 GLU CB C 13 30.202 0.021 . . . . . . 5 E CB . 15732 1
43 . 1 1 5 5 GLU CG C 13 36.527 0.031 . . . . . . 5 E CG . 15732 1
44 . 1 1 5 5 GLU N N 15 121.516 0.036 . . . . . . 5 E N . 15732 1
45 . 1 1 6 6 LEU H H 1 8.130 0.011 . . . . . . 6 L HN . 15732 1
46 . 1 1 6 6 LEU HA H 1 4.248 0.007 . . . . . . 6 L HA . 15732 1
47 . 1 1 6 6 LEU HB2 H 1 1.725 0.004 . . . . . . 6 L HB1 . 15732 1
48 . 1 1 6 6 LEU HB3 H 1 1.659 0.004 . . . . . . 6 L HB2 . 15732 1
49 . 1 1 6 6 LEU HD11 H 1 0.934 0.000 . . . . . . 6 L HD1 . 15732 1
50 . 1 1 6 6 LEU HD12 H 1 0.934 0.000 . . . . . . 6 L HD1 . 15732 1
51 . 1 1 6 6 LEU HD13 H 1 0.934 0.000 . . . . . . 6 L HD1 . 15732 1
52 . 1 1 6 6 LEU HD21 H 1 0.893 0.004 . . . . . . 6 L HD2 . 15732 1
53 . 1 1 6 6 LEU HD22 H 1 0.893 0.004 . . . . . . 6 L HD2 . 15732 1
54 . 1 1 6 6 LEU HD23 H 1 0.893 0.004 . . . . . . 6 L HD2 . 15732 1
55 . 1 1 6 6 LEU HG H 1 1.618 0.005 . . . . . . 6 L HG . 15732 1
56 . 1 1 6 6 LEU CA C 13 56.425 0.196 . . . . . . 6 L CA . 15732 1
57 . 1 1 6 6 LEU CB C 13 41.968 0.005 . . . . . . 6 L CB . 15732 1
58 . 1 1 6 6 LEU CD1 C 13 24.405 0.000 . . . . . . 6 L CD1 . 15732 1
59 . 1 1 6 6 LEU CD2 C 13 23.850 0.000 . . . . . . 6 L CD2 . 15732 1
60 . 1 1 6 6 LEU CG C 13 27.164 0.015 . . . . . . 6 L CG . 15732 1
61 . 1 1 6 6 LEU N N 15 121.636 0.029 . . . . . . 6 L N . 15732 1
62 . 1 1 7 7 GLU H H 1 8.342 0.005 . . . . . . 7 E HN . 15732 1
63 . 1 1 7 7 GLU HA H 1 4.127 0.010 . . . . . . 7 E HA . 15732 1
64 . 1 1 7 7 GLU HB2 H 1 2.075 0.005 . . . . . . 7 E HB# . 15732 1
65 . 1 1 7 7 GLU HB3 H 1 2.075 0.005 . . . . . . 7 E HB# . 15732 1
66 . 1 1 7 7 GLU HG2 H 1 2.372 0.003 . . . . . . 7 E HG1 . 15732 1
67 . 1 1 7 7 GLU HG3 H 1 2.323 0.003 . . . . . . 7 E HG2 . 15732 1
68 . 1 1 7 7 GLU CA C 13 58.121 0.251 . . . . . . 7 E CA . 15732 1
69 . 1 1 7 7 GLU CB C 13 29.861 0.006 . . . . . . 7 E CB . 15732 1
70 . 1 1 7 7 GLU CG C 13 36.425 0.000 . . . . . . 7 E CG . 15732 1
71 . 1 1 7 7 GLU N N 15 121.365 0.032 . . . . . . 7 E N . 15732 1
72 . 1 1 8 8 ALA H H 1 8.245 0.005 . . . . . . 8 A HN . 15732 1
73 . 1 1 8 8 ALA CA C 13 54.755 0.035 . . . . . . 8 A CA . 15732 1
74 . 1 1 8 8 ALA CB C 13 18.761 0.067 . . . . . . 8 A CB . 15732 1
75 . 1 1 8 8 ALA N N 15 123.066 0.010 . . . . . . 8 A N . 15732 1
76 . 1 1 9 9 GLN H H 1 8.258 0.002 . . . . . . 9 Q HN . 15732 1
77 . 1 1 9 9 GLN HA H 1 4.169 0.011 . . . . . . 9 Q HA . 15732 1
78 . 1 1 9 9 GLN HB2 H 1 2.175 0.000 . . . . . . 9 Q HB# . 15732 1
79 . 1 1 9 9 GLN HB3 H 1 2.175 0.000 . . . . . . 9 Q HB# . 15732 1
80 . 1 1 9 9 GLN HG2 H 1 2.490 0.000 . . . . . . 9 Q HG# . 15732 1
81 . 1 1 9 9 GLN HG3 H 1 2.490 0.000 . . . . . . 9 Q HG# . 15732 1
82 . 1 1 9 9 GLN CA C 13 58.029 0.090 . . . . . . 9 Q CA . 15732 1
83 . 1 1 9 9 GLN CB C 13 28.826 0.004 . . . . . . 9 Q CB . 15732 1
84 . 1 1 9 9 GLN CG C 13 34.141 0.000 . . . . . . 9 Q CG . 15732 1
85 . 1 1 9 9 GLN N N 15 117.326 0.023 . . . . . . 9 Q N . 15732 1
86 . 1 1 10 10 THR H H 1 8.068 0.004 . . . . . . 10 T HN . 15732 1
87 . 1 1 10 10 THR HA H 1 3.947 0.009 . . . . . . 10 T HA . 15732 1
88 . 1 1 10 10 THR HG21 H 1 1.257 0.000 . . . . . . 10 T HG# . 15732 1
89 . 1 1 10 10 THR HG22 H 1 1.257 0.000 . . . . . . 10 T HG# . 15732 1
90 . 1 1 10 10 THR HG23 H 1 1.257 0.000 . . . . . . 10 T HG# . 15732 1
91 . 1 1 10 10 THR CA C 13 65.668 0.022 . . . . . . 10 T CA . 15732 1
92 . 1 1 10 10 THR CB C 13 68.752 0.031 . . . . . . 10 T CB . 15732 1
93 . 1 1 10 10 THR N N 15 116.250 0.043 . . . . . . 10 T N . 15732 1
94 . 1 1 11 11 ARG H H 1 8.018 0.004 . . . . . . 11 R HN . 15732 1
95 . 1 1 11 11 ARG HA H 1 4.019 0.003 . . . . . . 11 R HA . 15732 1
96 . 1 1 11 11 ARG HB2 H 1 1.949 0.000 . . . . . . 11 R HB# . 15732 1
97 . 1 1 11 11 ARG HB3 H 1 1.949 0.000 . . . . . . 11 R HB# . 15732 1
98 . 1 1 11 11 ARG HD2 H 1 3.239 0.000 . . . . . . 11 R HD# . 15732 1
99 . 1 1 11 11 ARG HD3 H 1 3.239 0.000 . . . . . . 11 R HD# . 15732 1
100 . 1 1 11 11 ARG HG2 H 1 1.712 0.000 . . . . . . 11 R HG# . 15732 1
101 . 1 1 11 11 ARG HG3 H 1 1.712 0.000 . . . . . . 11 R HG# . 15732 1
102 . 1 1 11 11 ARG CA C 13 59.122 0.046 . . . . . . 11 R CA . 15732 1
103 . 1 1 11 11 ARG CB C 13 30.026 0.046 . . . . . . 11 R CB . 15732 1
104 . 1 1 11 11 ARG CG C 13 27.21 0.008 . . . . . . 11 R CG . 15732 1
105 . 1 1 11 11 ARG CD C 13 43.240 0.017 . . . . . . 11 R CD . 15732 1
106 . 1 1 11 11 ARG N N 15 121.122 0.023 . . . . . . 11 R N . 15732 1
107 . 1 1 12 12 VAL H H 1 7.663 0.004 . . . . . . 12 V HN . 15732 1
108 . 1 1 12 12 VAL HA H 1 3.809 0.007 . . . . . . 12 V HA . 15732 1
109 . 1 1 12 12 VAL HB H 1 2.124 0.017 . . . . . . 12 V HB . 15732 1
110 . 1 1 12 12 VAL HG11 H 1 1.065 0.000 . . . . . . 12 V HG# . 15732 1
111 . 1 1 12 12 VAL HG12 H 1 1.065 0.000 . . . . . . 12 V HG# . 15732 1
112 . 1 1 12 12 VAL HG13 H 1 1.065 0.000 . . . . . . 12 V HG# . 15732 1
113 . 1 1 12 12 VAL HG21 H 1 1.065 0.000 . . . . . . 12 V HG# . 15732 1
114 . 1 1 12 12 VAL HG22 H 1 1.065 0.000 . . . . . . 12 V HG# . 15732 1
115 . 1 1 12 12 VAL HG23 H 1 1.065 0.000 . . . . . . 12 V HG# . 15732 1
116 . 1 1 12 12 VAL CA C 13 65.934 0.084 . . . . . . 12 V CA . 15732 1
117 . 1 1 12 12 VAL CB C 13 31.961 0.055 . . . . . . 12 V CB . 15732 1
118 . 1 1 12 12 VAL CG1 C 13 22.059 0.000 . . . . . . 12 V CG1 . 15732 1
119 . 1 1 12 12 VAL CG2 C 13 21.555 0.000 . . . . . . 12 V CG2 . 15732 1
120 . 1 1 12 12 VAL N N 15 118.778 0.016 . . . . . . 12 V N . 15732 1
121 . 1 1 13 13 LYS H H 1 7.538 0.012 . . . . . . 13 K HN . 15732 1
122 . 1 1 13 13 LYS HA H 1 3.299 0.000 . . . . . . 13 K HA . 15732 1
123 . 1 1 13 13 LYS HB2 H 1 1.689 0.000 . . . . . . 13 K HB# . 15732 1
124 . 1 1 13 13 LYS HB3 H 1 1.689 0.000 . . . . . . 13 K HB# . 15732 1
125 . 1 1 13 13 LYS HE2 H 1 2.998 0.012 . . . . . . 13 K HE# . 15732 1
126 . 1 1 13 13 LYS HE3 H 1 2.974 0.012 . . . . . . 13 K HE# . 15732 1
127 . 1 1 13 13 LYS HG2 H 1 1.376 0.000 . . . . . . 13 K HG# . 15732 1
128 . 1 1 13 13 LYS HG3 H 1 1.376 0.000 . . . . . . 13 K HG# . 15732 1
129 . 1 1 13 13 LYS CA C 13 59.619 0.048 . . . . . . 13 K CA . 15732 1
130 . 1 1 13 13 LYS CB C 13 32.117 0.034 . . . . . . 13 K CB . 15732 1
131 . 1 1 13 13 LYS CD C 13 29.855 0.012 . . . . . . 13 K CD . 15732 1
132 . 1 1 13 13 LYS CE C 13 42.279 0.019 . . . . . . 13 K CE . 15732 1
133 . 1 1 13 13 LYS CG C 13 24.998 0.020 . . . . . . 13 K CG . 15732 1
134 . 1 1 13 13 LYS N N 15 122.148 0.021 . . . . . . 13 K N . 15732 1
135 . 1 1 14 14 LEU H H 1 8.190 0.004 . . . . . . 14 L HN . 15732 1
136 . 1 1 14 14 LEU HA H 1 4.082 0.008 . . . . . . 14 L HA . 15732 1
137 . 1 1 14 14 LEU HB2 H 1 1.811 0.005 . . . . . . 14 L HB1 . 15732 1
138 . 1 1 14 14 LEU HB3 H 1 1.578 0.005 . . . . . . 14 L HB2 . 15732 1
139 . 1 1 14 14 LEU HD11 H 1 0.879 0.000 . . . . . . 14 L HD# . 15732 1
140 . 1 1 14 14 LEU HD12 H 1 0.879 0.000 . . . . . . 14 L HD# . 15732 1
141 . 1 1 14 14 LEU HD13 H 1 0.879 0.000 . . . . . . 14 L HD# . 15732 1
142 . 1 1 14 14 LEU HD21 H 1 0.879 0.000 . . . . . . 14 L HD# . 15732 1
143 . 1 1 14 14 LEU HD22 H 1 0.879 0.000 . . . . . . 14 L HD# . 15732 1
144 . 1 1 14 14 LEU HD23 H 1 0.879 0.000 . . . . . . 14 L HD# . 15732 1
145 . 1 1 14 14 LEU CA C 13 57.876 0.041 . . . . . . 14 L CA . 15732 1
146 . 1 1 14 14 LEU CB C 13 41.360 0.025 . . . . . . 14 L CB . 15732 1
147 . 1 1 14 14 LEU CD1 C 13 25.405 0.003 . . . . . . 14 L CD1 . 15732 1
148 . 1 1 14 14 LEU CD2 C 13 22.672 0.003 . . . . . . 14 L CD2 . 15732 1
149 . 1 1 14 14 LEU CG C 13 26.903 0.028 . . . . . . 14 L CG . 15732 1
150 . 1 1 14 14 LEU N N 15 118.958 0.033 . . . . . . 14 L N . 15732 1
151 . 1 1 15 15 ASN H H 1 8.395 0.004 . . . . . . 15 N HN . 15732 1
152 . 1 1 15 15 ASN HA H 1 4.568 0.003 . . . . . . 15 N HA . 15732 1
153 . 1 1 15 15 ASN HB2 H 1 2.939 0.011 . . . . . . 15 N HB# . 15732 1
154 . 1 1 15 15 ASN HB3 H 1 2.939 0.011 . . . . . . 15 N HB# . 15732 1
155 . 1 1 15 15 ASN CA C 13 56.073 0.040 . . . . . . 15 N CA . 15732 1
156 . 1 1 15 15 ASN CB C 13 38.492 0.016 . . . . . . 15 N CB . 15732 1
157 . 1 1 15 15 ASN N N 15 118.325 0.019 . . . . . . 15 N N . 15732 1
158 . 1 1 16 16 PHE H H 1 8.052 0.004 . . . . . . 16 F HN . 15732 1
159 . 1 1 16 16 PHE HA H 1 4.413 0.001 . . . . . . 16 F HA . 15732 1
160 . 1 1 16 16 PHE HB2 H 1 3.510 0.000 . . . . . . 16 F HB# . 15732 1
161 . 1 1 16 16 PHE HB3 H 1 3.510 0.000 . . . . . . 16 F HB# . 15732 1
162 . 1 1 16 16 PHE CA C 13 61.629 0.037 . . . . . . 16 F CA . 15732 1
163 . 1 1 16 16 PHE CB C 13 39.392 0.041 . . . . . . 16 F CB . 15732 1
164 . 1 1 16 16 PHE N N 15 121.575 0.012 . . . . . . 16 F N . 15732 1
165 . 1 1 17 17 LEU H H 1 8.321 0.003 . . . . . . 17 L HN . 15732 1
166 . 1 1 17 17 LEU HA H 1 3.904 0.000 . . . . . . 17 L HA . 15732 1
167 . 1 1 17 17 LEU HB2 H 1 1.999 0.000 . . . . . . 17 L HB1 . 15732 1
168 . 1 1 17 17 LEU HB3 H 1 1.606 0.000 . . . . . . 17 L HB2 . 15732 1
169 . 1 1 17 17 LEU HD11 H 1 1.070 0.000 . . . . . . 17 L HD . 15732 1
170 . 1 1 17 17 LEU HD12 H 1 1.070 0.000 . . . . . . 17 L HD . 15732 1
171 . 1 1 17 17 LEU HD13 H 1 1.070 0.000 . . . . . . 17 L HD . 15732 1
172 . 1 1 17 17 LEU HD21 H 1 1.070 0.000 . . . . . . 17 L HD . 15732 1
173 . 1 1 17 17 LEU HD22 H 1 1.070 0.000 . . . . . . 17 L HD . 15732 1
174 . 1 1 17 17 LEU HD23 H 1 1.070 0.000 . . . . . . 17 L HD . 15732 1
175 . 1 1 17 17 LEU HG H 1 2.097 0.000 . . . . . . 17 L HG . 15732 1
176 . 1 1 17 17 LEU CA C 13 57.427 0.034 . . . . . . 17 L CA . 15732 1
177 . 1 1 17 17 LEU CB C 13 41.318 0.000 . . . . . . 17 L CB . 15732 1
178 . 1 1 17 17 LEU CD1 C 13 25.570 0.000 . . . . . . 17 L CD1 . 15732 1
179 . 1 1 17 17 LEU CD2 C 13 22.680 0.000 . . . . . . 17 L CD2 . 15732 1
180 . 1 1 17 17 LEU CG C 13 27.471 0.000 . . . . . . 17 L CG . 15732 1
181 . 1 1 17 17 LEU N N 15 118.809 0.022 . . . . . . 17 L N . 15732 1
182 . 1 1 18 18 ASP H H 1 8.028 0.003 . . . . . . 18 D HN . 15732 1
183 . 1 1 18 18 ASP HA H 1 4.450 0.003 . . . . . . 18 D HA . 15732 1
184 . 1 1 18 18 ASP HB2 H 1 2.830 0.000 . . . . . . 18 D HB1 . 15732 1
185 . 1 1 18 18 ASP HB3 H 1 2.830 0.000 . . . . . . 18 D HB2 . 15732 1
186 . 1 1 18 18 ASP CA C 13 57.463 0.068 . . . . . . 18 D CA . 15732 1
187 . 1 1 18 18 ASP CB C 13 41.409 0.003 . . . . . . 18 D CB . 15732 1
188 . 1 1 18 18 ASP N N 15 119.678 0.031 . . . . . . 18 D N . 15732 1
189 . 1 1 19 19 GLN H H 1 8.108 0.005 . . . . . . 19 Q HN . 15732 1
190 . 1 1 19 19 GLN CA C 13 59.190 0.000 . . . . . . 19 Q CA . 15732 1
191 . 1 1 19 19 GLN CB C 13 28.606 0.000 . . . . . . 19 Q CB . 15732 1
192 . 1 1 19 19 GLN N N 15 118.959 0.020 . . . . . . 19 Q N . 15732 1
193 . 1 1 20 20 ILE HA H 1 3.491 0.000 . . . . . . 20 I HA . 15732 1
194 . 1 1 20 20 ILE CA C 13 65.069 0.000 . . . . . . 20 I CA . 15732 1
195 . 1 1 20 20 ILE CB C 13 37.453 0.000 . . . . . . 20 I CB . 15732 1
196 . 1 1 21 21 ALA H H 1 8.433 0.003 . . . . . . 21 A HN . 15732 1
197 . 1 1 21 21 ALA HA H 1 4.209 0.000 . . . . . . 21 A HA . 15732 1
198 . 1 1 21 21 ALA HB1 H 1 1.640 0.000 . . . . . . 21 A HB# . 15732 1
199 . 1 1 21 21 ALA HB2 H 1 1.640 0.000 . . . . . . 21 A HB# . 15732 1
200 . 1 1 21 21 ALA HB3 H 1 1.640 0.000 . . . . . . 21 A HB# . 15732 1
201 . 1 1 21 21 ALA CA C 13 55.829 0.021 . . . . . . 21 A CA . 15732 1
202 . 1 1 21 21 ALA CB C 13 19.158 0.013 . . . . . . 21 A CB . 15732 1
203 . 1 1 21 21 ALA N N 15 120.942 0.009 . . . . . . 21 A N . 15732 1
204 . 1 1 22 22 LYS H H 1 8.125 0.004 . . . . . . 22 K HN . 15732 1
205 . 1 1 22 22 LYS HA H 1 4.120 0.000 . . . . . . 22 K HA . 15732 1
206 . 1 1 22 22 LYS HB2 H 1 1.848 0.003 . . . . . . 22 K HB# . 15732 1
207 . 1 1 22 22 LYS HB3 H 1 1.848 0.003 . . . . . . 22 K HB# . 15732 1
208 . 1 1 22 22 LYS HD2 H 1 1.491 0.011 . . . . . . 22 K HD1 . 15732 1
209 . 1 1 22 22 LYS HD3 H 1 1.427 0.009 . . . . . . 22 K HD2 . 15732 1
210 . 1 1 22 22 LYS HE2 H 1 3.001 0.008 . . . . . . 22 K HE1 . 15732 1
211 . 1 1 22 22 LYS HE3 H 1 2.949 0.008 . . . . . . 22 K HE2 . 15732 1
212 . 1 1 22 22 LYS HG2 H 1 1.491 0.017 . . . . . . 22 K HG1 . 15732 1
213 . 1 1 22 22 LYS HG3 H 1 1.427 0.017 . . . . . . 22 K HG2 . 15732 1
214 . 1 1 22 22 LYS CA C 13 58.843 0.000 . . . . . . 22 K CA . 15732 1
215 . 1 1 22 22 LYS CB C 13 32.051 0.002 . . . . . . 22 K CB . 15732 1
216 . 1 1 22 22 LYS N N 15 119.815 0.009 . . . . . . 22 K N . 15732 1
217 . 1 1 23 23 TYR HA H 1 3.780 0.005 . . . . . . 23 Y HA . 15732 1
218 . 1 1 23 23 TYR HB2 H 1 2.975 0.044 . . . . . . 23 Y HB# . 15732 1
219 . 1 1 23 23 TYR HB3 H 1 2.975 0.044 . . . . . . 23 Y HB# . 15732 1
220 . 1 1 23 23 TYR CA C 13 61.642 0.057 . . . . . . 23 Y CA . 15732 1
221 . 1 1 23 23 TYR CB C 13 38.090 0.107 . . . . . . 23 Y CB . 15732 1
222 . 1 1 24 24 TRP H H 1 7.840 0.004 . . . . . . 24 W HN . 15732 1
223 . 1 1 24 24 TRP HA H 1 4.086 0.012 . . . . . . 24 W HA . 15732 1
224 . 1 1 24 24 TRP HB2 H 1 3.451 0.000 . . . . . . 24 W HB# . 15732 1
225 . 1 1 24 24 TRP HB3 H 1 3.451 0.000 . . . . . . 24 W HB# . 15732 1
226 . 1 1 24 24 TRP CA C 13 60.861 0.028 . . . . . . 24 W CA . 15732 1
227 . 1 1 24 24 TRP CB C 13 28.434 0.056 . . . . . . 24 W CB . 15732 1
228 . 1 1 24 24 TRP N N 15 119.271 0.045 . . . . . . 24 W N . 15732 1
229 . 1 1 25 25 GLU H H 1 8.367 0.004 . . . . . . 25 E HN . 15732 1
230 . 1 1 25 25 GLU HA H 1 4.220 0.000 . . . . . . 25 E HA . 15732 1
231 . 1 1 25 25 GLU HB2 H 1 2.186 0.000 . . . . . . 25 E HB# . 15732 1
232 . 1 1 25 25 GLU HB3 H 1 2.186 0.000 . . . . . . 25 E HB# . 15732 1
233 . 1 1 25 25 GLU HG2 H 1 2.426 0.000 . . . . . . 25 E HG# . 15732 1
234 . 1 1 25 25 GLU HG3 H 1 2.426 0.000 . . . . . . 25 E HG# . 15732 1
235 . 1 1 25 25 GLU CA C 13 59.473 0.038 . . . . . . 25 E CA . 15732 1
236 . 1 1 25 25 GLU CB C 13 29.780 0.116 . . . . . . 25 E CB . 15732 1
237 . 1 1 25 25 GLU N N 15 122.230 0.006 . . . . . . 25 E N . 15732 1
238 . 1 1 26 26 LEU H H 1 7.964 0.005 . . . . . . 26 L HN . 15732 1
239 . 1 1 26 26 LEU HA H 1 4.061 0.003 . . . . . . 26 L HA . 15732 1
240 . 1 1 26 26 LEU HB2 H 1 1.703 0.032 . . . . . . 26 L HB1 . 15732 1
241 . 1 1 26 26 LEU HB3 H 1 1.491 0.032 . . . . . . 26 L HB2 . 15732 1
242 . 1 1 26 26 LEU HD11 H 1 0.813 0.000 . . . . . . 26 L HD11 . 15732 1
243 . 1 1 26 26 LEU HD12 H 1 0.813 0.000 . . . . . . 26 L HD11 . 15732 1
244 . 1 1 26 26 LEU HD13 H 1 0.813 0.000 . . . . . . 26 L HD11 . 15732 1
245 . 1 1 26 26 LEU HD21 H 1 0.808 0.000 . . . . . . 26 L HD21 . 15732 1
246 . 1 1 26 26 LEU HD22 H 1 0.808 0.000 . . . . . . 26 L HD21 . 15732 1
247 . 1 1 26 26 LEU HD23 H 1 0.808 0.000 . . . . . . 26 L HD21 . 15732 1
248 . 1 1 26 26 LEU HG H 1 1.710 0.000 . . . . . . 26 L HG . 15732 1
249 . 1 1 26 26 LEU CA C 13 57.376 0.057 . . . . . . 26 L CA . 15732 1
250 . 1 1 26 26 LEU CB C 13 41.321 0.042 . . . . . . 26 L CB . 15732 1
251 . 1 1 26 26 LEU CD1 C 13 25.004 0.000 . . . . . . 26 L CD1 . 15732 1
252 . 1 1 26 26 LEU CD2 C 13 23.356 0.000 . . . . . . 26 L CD2 . 15732 1
253 . 1 1 26 26 LEU CG C 13 26.774 0.000 . . . . . . 26 L CG . 15732 1
254 . 1 1 26 26 LEU N N 15 121.887 0.025 . . . . . . 26 L N . 15732 1
255 . 1 1 27 27 GLN H H 1 7.289 0.005 . . . . . . 27 Q HN . 15732 1
256 . 1 1 27 27 GLN HA H 1 4.170 0.000 . . . . . . 27 Q HA . 15732 1
257 . 1 1 27 27 GLN HB2 H 1 1.933 0.000 . . . . . . 27 Q HB# . 15732 1
258 . 1 1 27 27 GLN HB3 H 1 1.933 0.000 . . . . . . 27 Q HB# . 15732 1
259 . 1 1 27 27 GLN HG2 H 1 2.375 0.000 . . . . . . 27 Q HG# . 15732 1
260 . 1 1 27 27 GLN HG3 H 1 2.375 0.000 . . . . . . 27 Q HG# . 15732 1
261 . 1 1 27 27 GLN CA C 13 54.374 0.050 . . . . . . 27 Q CA . 15732 1
262 . 1 1 27 27 GLN CB C 13 28.272 0.093 . . . . . . 27 Q CB . 15732 1
263 . 1 1 27 27 GLN CG C 13 32.298 0.000 . . . . . . 27 Q CG . 15732 1
264 . 1 1 27 27 GLN N N 15 114.941 0.048 . . . . . . 27 Q N . 15732 1
265 . 1 1 28 28 GLY H H 1 7.913 0.003 . . . . . . 28 G HN . 15732 1
266 . 1 1 28 28 GLY HA2 H 1 4.255 0.003 . . . . . . 28 G HA1 . 15732 1
267 . 1 1 28 28 GLY HA3 H 1 3.825 0.003 . . . . . . 28 G HA2 . 15732 1
268 . 1 1 28 28 GLY CA C 13 45.569 0.017 . . . . . . 28 G CA . 15732 1
269 . 1 1 28 28 GLY N N 15 107.341 0.024 . . . . . . 28 G N . 15732 1
270 . 1 1 29 29 SER H H 1 8.071 0.009 . . . . . . 29 S HN . 15732 1
271 . 1 1 29 29 SER HA H 1 4.798 0.006 . . . . . . 29 S HA . 15732 1
272 . 1 1 29 29 SER HB2 H 1 3.796 0.000 . . . . . . 29 S HB# . 15732 1
273 . 1 1 29 29 SER HB3 H 1 3.796 0.000 . . . . . . 29 S HB# . 15732 1
274 . 1 1 29 29 SER CA C 13 55.933 0.060 . . . . . . 29 S CA . 15732 1
275 . 1 1 29 29 SER CB C 13 64.936 0.030 . . . . . . 29 S CB . 15732 1
276 . 1 1 29 29 SER N N 15 115.745 0.018 . . . . . . 29 S N . 15732 1
277 . 1 1 30 30 THR H H 1 8.255 0.004 . . . . . . 30 T HN . 15732 1
278 . 1 1 30 30 THR HA H 1 4.255 0.000 . . . . . . 30 T HA . 15732 1
279 . 1 1 30 30 THR HB H 1 3.894 0.000 . . . . . . 30 T HB . 15732 1
280 . 1 1 30 30 THR HG21 H 1 1.157 0.000 . . . . . . 30 T HG2# . 15732 1
281 . 1 1 30 30 THR HG22 H 1 1.157 0.000 . . . . . . 30 T HG2# . 15732 1
282 . 1 1 30 30 THR HG23 H 1 1.157 0.000 . . . . . . 30 T HG2# . 15732 1
283 . 1 1 30 30 THR CA C 13 61.802 0.104 . . . . . . 30 T CA . 15732 1
284 . 1 1 30 30 THR CB C 13 70.261 0.012 . . . . . . 30 T CB . 15732 1
285 . 1 1 30 30 THR N N 15 117.026 0.014 . . . . . . 30 T N . 15732 1
286 . 1 1 31 31 LEU H H 1 8.992 0.003 . . . . . . 31 L HN . 15732 1
287 . 1 1 31 31 LEU HA H 1 3.969 0.006 . . . . . . 31 L HA . 15732 1
288 . 1 1 31 31 LEU HB2 H 1 1.917 0.000 . . . . . . 31 L HB1 . 15732 1
289 . 1 1 31 31 LEU HB3 H 1 1.254 0.000 . . . . . . 31 L HB2 . 15732 1
290 . 1 1 31 31 LEU HD11 H 1 0.806 0.000 . . . . . . 31 L HD1 . 15732 1
291 . 1 1 31 31 LEU HD12 H 1 0.806 0.000 . . . . . . 31 L HD1 . 15732 1
292 . 1 1 31 31 LEU HD13 H 1 0.806 0.000 . . . . . . 31 L HD1 . 15732 1
293 . 1 1 31 31 LEU HD21 H 1 0.587 0.000 . . . . . . 31 L HD2 . 15732 1
294 . 1 1 31 31 LEU HD22 H 1 0.587 0.000 . . . . . . 31 L HD2 . 15732 1
295 . 1 1 31 31 LEU HD23 H 1 0.587 0.000 . . . . . . 31 L HD2 . 15732 1
296 . 1 1 31 31 LEU CA C 13 55.556 0.042 . . . . . . 31 L CA . 15732 1
297 . 1 1 31 31 LEU CB C 13 42.662 0.015 . . . . . . 31 L CB . 15732 1
298 . 1 1 31 31 LEU CD1 C 13 23.636 0.013 . . . . . . 31 L CD . 15732 1
299 . 1 1 31 31 LEU CD2 C 13 23.636 0.013 . . . . . . 31 L CD . 15732 1
300 . 1 1 31 31 LEU CG C 13 26.868 0.017 . . . . . . 31 L CG . 15732 1
301 . 1 1 31 31 LEU N N 15 127.779 0.029 . . . . . . 31 L N . 15732 1
302 . 1 1 32 32 LYS H H 1 8.186 0.007 . . . . . . 32 K HN . 15732 1
303 . 1 1 32 32 LYS HA H 1 4.489 0.001 . . . . . . 32 K HA . 15732 1
304 . 1 1 32 32 LYS HB2 H 1 1.583 0.006 . . . . . . 32 K HB# . 15732 1
305 . 1 1 32 32 LYS HB3 H 1 1.583 0.006 . . . . . . 32 K HB# . 15732 1
306 . 1 1 32 32 LYS HD2 H 1 1.302 0.000 . . . . . . 32 K HD# . 15732 1
307 . 1 1 32 32 LYS HD3 H 1 1.302 0.000 . . . . . . 32 K HD# . 15732 1
308 . 1 1 32 32 LYS HE2 H 1 2.905 0.009 . . . . . . 32 K HE# . 15732 1
309 . 1 1 32 32 LYS HE3 H 1 2.905 0.009 . . . . . . 32 K HE# . 15732 1
310 . 1 1 32 32 LYS HG2 H 1 1.212 0.000 . . . . . . 32 K HG# . 15732 1
311 . 1 1 32 32 LYS HG3 H 1 1.212 0.000 . . . . . . 32 K HG# . 15732 1
312 . 1 1 32 32 LYS CA C 13 54.151 0.031 . . . . . . 32 K CA . 15732 1
313 . 1 1 32 32 LYS CB C 13 32.536 0.272 . . . . . . 32 K CB . 15732 1
314 . 1 1 32 32 LYS CD C 13 28.924 0.000 . . . . . . 32 K CD . 15732 1
315 . 1 1 32 32 LYS CE C 13 42.085 0.000 . . . . . . 32 K CE . 15732 1
316 . 1 1 32 32 LYS CG C 13 24.506 0.000 . . . . . . 32 K CG . 15732 1
317 . 1 1 32 32 LYS N N 15 129.756 0.031 . . . . . . 32 K N . 15732 1
318 . 1 1 33 33 ILE H H 1 8.660 0.004 . . . . . . 33 I HN . 15732 1
319 . 1 1 33 33 ILE HB H 1 1.819 0.004 . . . . . . 33 I HB . 15732 1
320 . 1 1 33 33 ILE HD11 H 1 0.926 0.000 . . . . . . 33 I HD11 . 15732 1
321 . 1 1 33 33 ILE HD12 H 1 0.926 0.000 . . . . . . 33 I HD11 . 15732 1
322 . 1 1 33 33 ILE HD13 H 1 0.926 0.000 . . . . . . 33 I HD11 . 15732 1
323 . 1 1 33 33 ILE HG12 H 1 1.085 0.000 . . . . . . 33 I HG11 . 15732 1
324 . 1 1 33 33 ILE HG21 H 1 0.937 0.000 . . . . . . 33 I HG21 . 15732 1
325 . 1 1 33 33 ILE HG22 H 1 0.937 0.000 . . . . . . 33 I HG21 . 15732 1
326 . 1 1 33 33 ILE HG23 H 1 0.937 0.000 . . . . . . 33 I HG21 . 15732 1
327 . 1 1 33 33 ILE CA C 13 59.494 0.021 . . . . . . 33 I CA . 15732 1
328 . 1 1 33 33 ILE CB C 13 37.270 0.198 . . . . . . 33 I CB . 15732 1
329 . 1 1 33 33 ILE N N 15 127.011 0.012 . . . . . . 33 I N . 15732 1
330 . 1 1 34 34 PRO HA H 1 4.425 0.001 . . . . . . 34 P HA . 15732 1
331 . 1 1 34 34 PRO HB2 H 1 1.733 0.000 . . . . . . 34 P HB1 . 15732 1
332 . 1 1 34 34 PRO HB3 H 1 1.200 0.000 . . . . . . 34 P HB2 . 15732 1
333 . 1 1 34 34 PRO HD2 H 1 3.915 0.000 . . . . . . 34 P HD1 . 15732 1
334 . 1 1 34 34 PRO HD3 H 1 3.355 0.000 . . . . . . 34 P HD2 . 15732 1
335 . 1 1 34 34 PRO CA C 13 62.544 0.073 . . . . . . 34 P CA . 15732 1
336 . 1 1 34 34 PRO CB C 13 32.466 0.014 . . . . . . 34 P CB . 15732 1
337 . 1 1 34 34 PRO CD C 13 50.429 0.000 . . . . . . 34 P CD . 15732 1
338 . 1 1 34 34 PRO CG C 13 26.652 0.000 . . . . . . 34 P CG . 15732 1
339 . 1 1 35 35 HIS H H 1 8.212 0.005 . . . . . . 35 H HN . 15732 1
340 . 1 1 35 35 HIS HA H 1 5.162 0.015 . . . . . . 35 H HA . 15732 1
341 . 1 1 35 35 HIS HB2 H 1 2.839 0.065 . . . . . . 35 H HB1 . 15732 1
342 . 1 1 35 35 HIS HB3 H 1 2.720 0.092 . . . . . . 35 H HB2 . 15732 1
343 . 1 1 35 35 HIS CA C 13 54.889 0.164 . . . . . . 35 H CA . 15732 1
344 . 1 1 35 35 HIS CB C 13 32.573 0.013 . . . . . . 35 H CB . 15732 1
345 . 1 1 35 35 HIS N N 15 116.315 0.036 . . . . . . 35 H N . 15732 1
346 . 1 1 36 36 VAL H H 1 9.177 0.005 . . . . . . 36 V HN . 15732 1
347 . 1 1 36 36 VAL HA H 1 4.067 0.014 . . . . . . 36 V HA . 15732 1
348 . 1 1 36 36 VAL HB H 1 1.784 0.001 . . . . . . 36 V HB . 15732 1
349 . 1 1 36 36 VAL HG11 H 1 0.772 0.006 . . . . . . 36 V HG1# . 15732 1
350 . 1 1 36 36 VAL HG12 H 1 0.772 0.006 . . . . . . 36 V HG1# . 15732 1
351 . 1 1 36 36 VAL HG13 H 1 0.772 0.006 . . . . . . 36 V HG1# . 15732 1
352 . 1 1 36 36 VAL HG21 H 1 0.479 0.004 . . . . . . 36 V HG2# . 15732 1
353 . 1 1 36 36 VAL HG22 H 1 0.479 0.004 . . . . . . 36 V HG2# . 15732 1
354 . 1 1 36 36 VAL HG23 H 1 0.479 0.004 . . . . . . 36 V HG2# . 15732 1
355 . 1 1 36 36 VAL CA C 13 61.499 0.221 . . . . . . 36 V CA . 15732 1
356 . 1 1 36 36 VAL CB C 13 34.400 0.046 . . . . . . 36 V CB . 15732 1
357 . 1 1 36 36 VAL CG1 C 13 21.034 0.071 . . . . . . 36 V CG1 . 15732 1
358 . 1 1 36 36 VAL CG2 C 13 22.012 0.071 . . . . . . 36 V CG2 . 15732 1
359 . 1 1 36 36 VAL N N 15 123.252 0.029 . . . . . . 36 V N . 15732 1
360 . 1 1 37 37 GLU H H 1 9.286 0.004 . . . . . . 37 E HN . 15732 1
361 . 1 1 37 37 GLU HA H 1 3.798 0.006 . . . . . . 37 E HA . 15732 1
362 . 1 1 37 37 GLU HB2 H 1 2.222 0.016 . . . . . . 37 E HB# . 15732 1
363 . 1 1 37 37 GLU HB3 H 1 2.222 0.016 . . . . . . 37 E HB# . 15732 1
364 . 1 1 37 37 GLU HG2 H 1 2.372 0.008 . . . . . . 37 E HG# . 15732 1
365 . 1 1 37 37 GLU HG3 H 1 2.372 0.008 . . . . . . 37 E HG# . 15732 1
366 . 1 1 37 37 GLU CA C 13 57.410 0.233 . . . . . . 37 E CA . 15732 1
367 . 1 1 37 37 GLU CB C 13 27.769 0.249 . . . . . . 37 E CB . 15732 1
368 . 1 1 37 37 GLU CG C 13 36.916 0.000 . . . . . . 37 E CG . 15732 1
369 . 1 1 37 37 GLU N N 15 125.448 0.028 . . . . . . 37 E N . 15732 1
370 . 1 1 38 38 ARG H H 1 8.673 0.003 . . . . . . 38 R HN . 15732 1
371 . 1 1 38 38 ARG HA H 1 3.790 0.015 . . . . . . 38 R HA . 15732 1
372 . 1 1 38 38 ARG HB2 H 1 2.068 0.027 . . . . . . 38 R HB1 . 15732 1
373 . 1 1 38 38 ARG HB3 H 1 2.022 0.018 . . . . . . 38 R HB2 . 15732 1
374 . 1 1 38 38 ARG HD2 H 1 3.210 0.004 . . . . . . 38 R HD# . 15732 1
375 . 1 1 38 38 ARG HD3 H 1 3.210 0.004 . . . . . . 38 R HD# . 15732 1
376 . 1 1 38 38 ARG HG2 H 1 1.579 0.000 . . . . . . 38 R HG# . 15732 1
377 . 1 1 38 38 ARG HG3 H 1 1.579 0.000 . . . . . . 38 R HG# . 15732 1
378 . 1 1 38 38 ARG CA C 13 57.542 0.102 . . . . . . 38 R CA . 15732 1
379 . 1 1 38 38 ARG CB C 13 28.005 0.026 . . . . . . 38 R CB . 15732 1
380 . 1 1 38 38 ARG CD C 13 43.359 0.020 . . . . . . 38 R CD . 15732 1
381 . 1 1 38 38 ARG N N 15 109.122 0.014 . . . . . . 38 R N . 15732 1
382 . 1 1 39 39 LYS H H 1 8.187 0.003 . . . . . . 39 K HN . 15732 1
383 . 1 1 39 39 LYS HA H 1 4.680 0.005 . . . . . . 39 K HA . 15732 1
384 . 1 1 39 39 LYS HB2 H 1 1.920 0.002 . . . . . . 39 K HB# . 15732 1
385 . 1 1 39 39 LYS HB3 H 1 1.920 0.002 . . . . . . 39 K HB# . 15732 1
386 . 1 1 39 39 LYS HE2 H 1 2.815 0.009 . . . . . . 39 K HE# . 15732 1
387 . 1 1 39 39 LYS HE3 H 1 2.815 0.009 . . . . . . 39 K HE# . 15732 1
388 . 1 1 39 39 LYS HG2 H 1 1.496 0.010 . . . . . . 39 K HG# . 15732 1
389 . 1 1 39 39 LYS HG3 H 1 1.496 0.010 . . . . . . 39 K HG# . 15732 1
390 . 1 1 39 39 LYS CA C 13 54.601 0.282 . . . . . . 39 K CA . 15732 1
391 . 1 1 39 39 LYS CB C 13 34.803 0.274 . . . . . . 39 K CB . 15732 1
392 . 1 1 39 39 LYS CD C 13 29.163 0.000 . . . . . . 39 K CD . 15732 1
393 . 1 1 39 39 LYS CE C 13 42.116 0.000 . . . . . . 39 K CE . 15732 1
394 . 1 1 39 39 LYS CG C 13 24.498 0.000 . . . . . . 39 K CG . 15732 1
395 . 1 1 39 39 LYS N N 15 121.367 0.005 . . . . . . 39 K N . 15732 1
396 . 1 1 40 40 ILE H H 1 8.407 0.005 . . . . . . 40 I HN . 15732 1
397 . 1 1 40 40 ILE HA H 1 3.536 0.007 . . . . . . 40 I HA . 15732 1
398 . 1 1 40 40 ILE HB H 1 1.566 0.008 . . . . . . 40 I HB . 15732 1
399 . 1 1 40 40 ILE HD11 H 1 0.694 0.000 . . . . . . 40 I HD11 . 15732 1
400 . 1 1 40 40 ILE HD12 H 1 0.694 0.000 . . . . . . 40 I HD11 . 15732 1
401 . 1 1 40 40 ILE HD13 H 1 0.694 0.000 . . . . . . 40 I HD11 . 15732 1
402 . 1 1 40 40 ILE HG12 H 1 1.286 0.000 . . . . . . 40 I HG11 . 15732 1
403 . 1 1 40 40 ILE HG13 H 1 0.834 0.000 . . . . . . 40 I HG12 . 15732 1
404 . 1 1 40 40 ILE HG21 H 1 0.737 0.000 . . . . . . 40 I HG21 . 15732 1
405 . 1 1 40 40 ILE HG22 H 1 0.737 0.000 . . . . . . 40 I HG21 . 15732 1
406 . 1 1 40 40 ILE HG23 H 1 0.737 0.000 . . . . . . 40 I HG21 . 15732 1
407 . 1 1 40 40 ILE CA C 13 61.600 0.189 . . . . . . 40 I CA . 15732 1
408 . 1 1 40 40 ILE CB C 13 38.371 0.069 . . . . . . 40 I CB . 15732 1
409 . 1 1 40 40 ILE CD1 C 13 12.883 0.021 . . . . . . 40 I CD . 15732 1
410 . 1 1 40 40 ILE CG1 C 13 28.846 0.000 . . . . . . 40 I CG1 . 15732 1
411 . 1 1 40 40 ILE CG2 C 13 17.387 0.000 . . . . . . 40 I CG2 . 15732 1
412 . 1 1 40 40 ILE N N 15 123.850 0.017 . . . . . . 40 I N . 15732 1
413 . 1 1 41 41 LEU H H 1 8.269 0.005 . . . . . . 41 L HN . 15732 1
414 . 1 1 41 41 LEU HA H 1 4.340 0.006 . . . . . . 41 L HA . 15732 1
415 . 1 1 41 41 LEU HB2 H 1 1.702 0.022 . . . . . . 41 L HB# . 15732 1
416 . 1 1 41 41 LEU HB3 H 1 1.702 0.022 . . . . . . 41 L HB# . 15732 1
417 . 1 1 41 41 LEU HD11 H 1 1.004 0.066 . . . . . . 41 L HD11 . 15732 1
418 . 1 1 41 41 LEU HD12 H 1 1.004 0.066 . . . . . . 41 L HD11 . 15732 1
419 . 1 1 41 41 LEU HD13 H 1 1.004 0.066 . . . . . . 41 L HD11 . 15732 1
420 . 1 1 41 41 LEU HD21 H 1 0.876 0.000 . . . . . . 41 L HD21 . 15732 1
421 . 1 1 41 41 LEU HD22 H 1 0.876 0.000 . . . . . . 41 L HD21 . 15732 1
422 . 1 1 41 41 LEU HD23 H 1 0.876 0.000 . . . . . . 41 L HD21 . 15732 1
423 . 1 1 41 41 LEU HG H 1 1.642 0.000 . . . . . . 41 L HG . 15732 1
424 . 1 1 41 41 LEU CA C 13 54.597 0.018 . . . . . . 41 L CA . 15732 1
425 . 1 1 41 41 LEU CB C 13 42.967 0.283 . . . . . . 41 L CB . 15732 1
426 . 1 1 41 41 LEU CD1 C 13 24.034 0.000 . . . . . . 41 L CD# . 15732 1
427 . 1 1 41 41 LEU CD2 C 13 24.034 0.000 . . . . . . 41 L CD# . 15732 1
428 . 1 1 41 41 LEU CG C 13 26.743 0.000 . . . . . . 41 L CG . 15732 1
429 . 1 1 41 41 LEU N N 15 130.061 0.034 . . . . . . 41 L N . 15732 1
430 . 1 1 42 42 ASP H H 1 9.038 0.005 . . . . . . 42 D HN . 15732 1
431 . 1 1 42 42 ASP HA H 1 4.681 0.022 . . . . . . 42 D HA . 15732 1
432 . 1 1 42 42 ASP HB2 H 1 2.815 0.000 . . . . . . 42 D HB1 . 15732 1
433 . 1 1 42 42 ASP HB3 H 1 2.753 0.000 . . . . . . 42 D HB2 . 15732 1
434 . 1 1 42 42 ASP CA C 13 52.679 0.247 . . . . . . 42 D CA . 15732 1
435 . 1 1 42 42 ASP CB C 13 40.332 0.060 . . . . . . 42 D CB . 15732 1
436 . 1 1 42 42 ASP N N 15 127.447 0.032 . . . . . . 42 D N . 15732 1
437 . 1 1 43 43 LEU H H 1 8.249 0.004 . . . . . . 43 L HN . 15732 1
438 . 1 1 43 43 LEU HA H 1 4.060 0.009 . . . . . . 43 L HA . 15732 1
439 . 1 1 43 43 LEU HB2 H 1 1.702 0.000 . . . . . . 43 L HB# . 15732 1
440 . 1 1 43 43 LEU HB3 H 1 1.702 0.000 . . . . . . 43 L HB# . 15732 1
441 . 1 1 43 43 LEU HD11 H 1 0.885 0.000 . . . . . . 43 L HD11 . 15732 1
442 . 1 1 43 43 LEU HD12 H 1 0.885 0.000 . . . . . . 43 L HD11 . 15732 1
443 . 1 1 43 43 LEU HD13 H 1 0.885 0.000 . . . . . . 43 L HD11 . 15732 1
444 . 1 1 43 43 LEU HD21 H 1 0.830 0.000 . . . . . . 43 L HD21 . 15732 1
445 . 1 1 43 43 LEU HD22 H 1 0.830 0.000 . . . . . . 43 L HD21 . 15732 1
446 . 1 1 43 43 LEU HD23 H 1 0.830 0.000 . . . . . . 43 L HD21 . 15732 1
447 . 1 1 43 43 LEU HG H 1 1.600 0.000 . . . . . . 43 L HG . 15732 1
448 . 1 1 43 43 LEU CA C 13 57.333 0.230 . . . . . . 43 L CA . 15732 1
449 . 1 1 43 43 LEU CB C 13 43.212 0.075 . . . . . . 43 L CB . 15732 1
450 . 1 1 43 43 LEU CD1 C 13 22.394 0.000 . . . . . . 43 L CD# . 15732 1
451 . 1 1 43 43 LEU CD2 C 13 22.394 0.000 . . . . . . 43 L CD# . 15732 1
452 . 1 1 43 43 LEU CG C 13 26.902 0.000 . . . . . . 43 L CG . 15732 1
453 . 1 1 43 43 LEU N N 15 125.803 0.018 . . . . . . 43 L N . 15732 1
454 . 1 1 44 44 PHE H H 1 8.618 0.003 . . . . . . 44 F HN . 15732 1
455 . 1 1 44 44 PHE HA H 1 3.605 0.017 . . . . . . 44 F HA . 15732 1
456 . 1 1 44 44 PHE HB2 H 1 3.258 0.012 . . . . . . 44 F HB1 . 15732 1
457 . 1 1 44 44 PHE HB3 H 1 3.076 0.012 . . . . . . 44 F HB2 . 15732 1
458 . 1 1 44 44 PHE CA C 13 61.225 0.008 . . . . . . 44 F CA . 15732 1
459 . 1 1 44 44 PHE CB C 13 39.342 0.042 . . . . . . 44 F CB . 15732 1
460 . 1 1 44 44 PHE N N 15 119.138 0.037 . . . . . . 44 F N . 15732 1
461 . 1 1 45 45 GLN H H 1 8.143 0.003 . . . . . . 45 Q HN . 15732 1
462 . 1 1 45 45 GLN HA H 1 3.790 0.004 . . . . . . 45 Q HA . 15732 1
463 . 1 1 45 45 GLN HB2 H 1 2.059 0.017 . . . . . . 45 Q HB# . 15732 1
464 . 1 1 45 45 GLN HB3 H 1 2.059 0.017 . . . . . . 45 Q HB# . 15732 1
465 . 1 1 45 45 GLN HG2 H 1 2.408 0.009 . . . . . . 45 Q HG# . 15732 1
466 . 1 1 45 45 GLN HG3 H 1 2.408 0.009 . . . . . . 45 Q HG# . 15732 1
467 . 1 1 45 45 GLN CA C 13 58.099 0.038 . . . . . . 45 Q CA . 15732 1
468 . 1 1 45 45 GLN CB C 13 28.807 0.055 . . . . . . 45 Q CB . 15732 1
469 . 1 1 45 45 GLN CG C 13 33.430 0.000 . . . . . . 45 Q CG . 15732 1
470 . 1 1 45 45 GLN N N 15 121.173 0.021 . . . . . . 45 Q N . 15732 1
471 . 1 1 46 46 LEU H H 1 8.533 0.004 . . . . . . 46 L HN . 15732 1
472 . 1 1 46 46 LEU HA H 1 4.181 0.013 . . . . . . 46 L HA . 15732 1
473 . 1 1 46 46 LEU HB2 H 1 2.182 0.006 . . . . . . 46 L HB# . 15732 1
474 . 1 1 46 46 LEU HB3 H 1 2.182 0.006 . . . . . . 46 L HB# . 15732 1
475 . 1 1 46 46 LEU HD11 H 1 1.263 0.000 . . . . . . 46 L HD11 . 15732 1
476 . 1 1 46 46 LEU HD12 H 1 1.263 0.000 . . . . . . 46 L HD11 . 15732 1
477 . 1 1 46 46 LEU HD13 H 1 1.263 0.000 . . . . . . 46 L HD11 . 15732 1
478 . 1 1 46 46 LEU CA C 13 57.911 0.142 . . . . . . 46 L CA . 15732 1
479 . 1 1 46 46 LEU CB C 13 42.270 0.035 . . . . . . 46 L CB . 15732 1
480 . 1 1 46 46 LEU CD1 C 13 24.151 0.000 . . . . . . 46 L CD# . 15732 1
481 . 1 1 46 46 LEU CD2 C 13 24.151 0.000 . . . . . . 46 L CD# . 15732 1
482 . 1 1 46 46 LEU CG C 13 27.176 0.000 . . . . . . 46 L CG . 15732 1
483 . 1 1 46 46 LEU N N 15 118.827 0.022 . . . . . . 46 L N . 15732 1
484 . 1 1 47 47 ASN H H 1 8.078 0.010 . . . . . . 47 N HN . 15732 1
485 . 1 1 47 47 ASN HA H 1 4.615 0.012 . . . . . . 47 N HA . 15732 1
486 . 1 1 47 47 ASN HB2 H 1 2.865 0.011 . . . . . . 47 N HB1 . 15732 1
487 . 1 1 47 47 ASN HB3 H 1 2.702 0.005 . . . . . . 47 N HB2 . 15732 1
488 . 1 1 47 47 ASN CA C 13 56.936 0.246 . . . . . . 47 N CA . 15732 1
489 . 1 1 47 47 ASN CB C 13 39.758 0.037 . . . . . . 47 N CB . 15732 1
490 . 1 1 47 47 ASN N N 15 116.329 0.041 . . . . . . 47 N N . 15732 1
491 . 1 1 48 48 LYS H H 1 7.711 0.005 . . . . . . 48 K HN . 15732 1
492 . 1 1 48 48 LYS HA H 1 3.865 0.005 . . . . . . 48 K HA . 15732 1
493 . 1 1 48 48 LYS HB2 H 1 1.649 0.000 . . . . . . 48 K HB1 . 15732 1
494 . 1 1 48 48 LYS HB3 H 1 1.432 0.000 . . . . . . 48 K HB2 . 15732 1
495 . 1 1 48 48 LYS HD2 H 1 1.428 0.000 . . . . . . 48 K HD# . 15732 1
496 . 1 1 48 48 LYS HD3 H 1 1.428 0.000 . . . . . . 48 K HD# . 15732 1
497 . 1 1 48 48 LYS HE2 H 1 2.824 0.000 . . . . . . 48 K HE# . 15732 1
498 . 1 1 48 48 LYS HE3 H 1 2.824 0.000 . . . . . . 48 K HE# . 15732 1
499 . 1 1 48 48 LYS HG2 H 1 1.169 0.000 . . . . . . 48 K HG# . 15732 1
500 . 1 1 48 48 LYS HG3 H 1 1.169 0.000 . . . . . . 48 K HG# . 15732 1
501 . 1 1 48 48 LYS CA C 13 59.004 0.080 . . . . . . 48 K CA . 15732 1
502 . 1 1 48 48 LYS CB C 13 32.650 0.019 . . . . . . 48 K CB . 15732 1
503 . 1 1 48 48 LYS N N 15 119.390 0.013 . . . . . . 48 K N . 15732 1
504 . 1 1 49 49 LEU H H 1 8.662 0.005 . . . . . . 49 L HN . 15732 1
505 . 1 1 49 49 LEU HA H 1 4.026 0.002 . . . . . . 49 L HA . 15732 1
506 . 1 1 49 49 LEU HB2 H 1 1.958 0.020 . . . . . . 49 L HB1 . 15732 1
507 . 1 1 49 49 LEU HB3 H 1 1.273 0.000 . . . . . . 49 L HB2 . 15732 1
508 . 1 1 49 49 LEU HD11 H 1 0.911 0.000 . . . . . . 49 L HD11 . 15732 1
509 . 1 1 49 49 LEU HD12 H 1 0.911 0.000 . . . . . . 49 L HD11 . 15732 1
510 . 1 1 49 49 LEU HD13 H 1 0.911 0.000 . . . . . . 49 L HD11 . 15732 1
511 . 1 1 49 49 LEU HD21 H 1 0.913 0.000 . . . . . . 49 L HD21 . 15732 1
512 . 1 1 49 49 LEU HD22 H 1 0.913 0.000 . . . . . . 49 L HD21 . 15732 1
513 . 1 1 49 49 LEU HD23 H 1 0.913 0.000 . . . . . . 49 L HD21 . 15732 1
514 . 1 1 49 49 LEU HG H 1 1.952 0.000 . . . . . . 49 L HG . 15732 1
515 . 1 1 49 49 LEU CA C 13 57.763 0.076 . . . . . . 49 L CA . 15732 1
516 . 1 1 49 49 LEU CB C 13 42.922 0.013 . . . . . . 49 L CB . 15732 1
517 . 1 1 49 49 LEU CD1 C 13 23.121 0.000 . . . . . . 49 L CD1 . 15732 1
518 . 1 1 49 49 LEU CG C 13 27.383 0.000 . . . . . . 49 L CG . 15732 1
519 . 1 1 49 49 LEU N N 15 119.863 0.018 . . . . . . 49 L N . 15732 1
520 . 1 1 50 50 VAL H H 1 8.119 0.004 . . . . . . 50 V HN . 15732 1
521 . 1 1 50 50 VAL HA H 1 3.152 0.012 . . . . . . 50 V HA . 15732 1
522 . 1 1 50 50 VAL HB H 1 2.059 0.005 . . . . . . 50 V HB . 15732 1
523 . 1 1 50 50 VAL HG11 H 1 0.795 0.005 . . . . . . 50 V HG11 . 15732 1
524 . 1 1 50 50 VAL HG12 H 1 0.795 0.005 . . . . . . 50 V HG11 . 15732 1
525 . 1 1 50 50 VAL HG13 H 1 0.795 0.005 . . . . . . 50 V HG11 . 15732 1
526 . 1 1 50 50 VAL HG21 H 1 0.463 0.006 . . . . . . 50 V HG21 . 15732 1
527 . 1 1 50 50 VAL HG22 H 1 0.463 0.006 . . . . . . 50 V HG21 . 15732 1
528 . 1 1 50 50 VAL HG23 H 1 0.463 0.006 . . . . . . 50 V HG21 . 15732 1
529 . 1 1 50 50 VAL CA C 13 66.605 0.245 . . . . . . 50 V CA . 15732 1
530 . 1 1 50 50 VAL CB C 13 31.356 0.009 . . . . . . 50 V CB . 15732 1
531 . 1 1 50 50 VAL CG1 C 13 25.272 0.000 . . . . . . 50 V CG# . 15732 1
532 . 1 1 50 50 VAL CG2 C 13 25.272 0.000 . . . . . . 50 V CG# . 15732 1
533 . 1 1 50 50 VAL N N 15 117.869 0.022 . . . . . . 50 V N . 15732 1
534 . 1 1 51 51 ALA H H 1 7.379 0.005 . . . . . . 51 A HN . 15732 1
535 . 1 1 51 51 ALA HA H 1 3.985 0.020 . . . . . . 51 A HA . 15732 1
536 . 1 1 51 51 ALA HB1 H 1 1.484 0.000 . . . . . . 51 A HB1 . 15732 1
537 . 1 1 51 51 ALA HB2 H 1 1.484 0.000 . . . . . . 51 A HB1 . 15732 1
538 . 1 1 51 51 ALA HB3 H 1 1.484 0.000 . . . . . . 51 A HB1 . 15732 1
539 . 1 1 51 51 ALA CA C 13 55.612 0.061 . . . . . . 51 A CA . 15732 1
540 . 1 1 51 51 ALA CB C 13 18.194 0.000 . . . . . . 51 A CB . 15732 1
541 . 1 1 51 51 ALA N N 15 121.745 0.044 . . . . . . 51 A N . 15732 1
542 . 1 1 52 52 GLU H H 1 8.462 0.003 . . . . . . 52 E HN . 15732 1
543 . 1 1 52 52 GLU HA H 1 3.947 0.004 . . . . . . 52 E HA . 15732 1
544 . 1 1 52 52 GLU HB2 H 1 2.100 0.000 . . . . . . 52 E HB# . 15732 1
545 . 1 1 52 52 GLU HB3 H 1 2.100 0.000 . . . . . . 52 E HB# . 15732 1
546 . 1 1 52 52 GLU HG2 H 1 2.464 0.000 . . . . . . 52 E HG1 . 15732 1
547 . 1 1 52 52 GLU HG3 H 1 2.223 0.000 . . . . . . 52 E HG2 . 15732 1
548 . 1 1 52 52 GLU CA C 13 59.066 0.048 . . . . . . 52 E CA . 15732 1
549 . 1 1 52 52 GLU CB C 13 29.822 0.063 . . . . . . 52 E CB . 15732 1
550 . 1 1 52 52 GLU CG C 13 36.783 0.000 . . . . . . 52 E CG . 15732 1
551 . 1 1 52 52 GLU N N 15 120.455 0.033 . . . . . . 52 E N . 15732 1
552 . 1 1 53 53 GLU H H 1 7.464 0.003 . . . . . . 53 E HN . 15732 1
553 . 1 1 53 53 GLU HA H 1 4.205 0.000 . . . . . . 53 E HA . 15732 1
554 . 1 1 53 53 GLU HB2 H 1 2.010 0.000 . . . . . . 53 E HB1 . 15732 1
555 . 1 1 53 53 GLU HB3 H 1 1.480 0.000 . . . . . . 53 E HB2 . 15732 1
556 . 1 1 53 53 GLU HG2 H 1 2.303 0.000 . . . . . . 53 E HG1 . 15732 1
557 . 1 1 53 53 GLU HG3 H 1 1.901 0.000 . . . . . . 53 E HG2 . 15732 1
558 . 1 1 53 53 GLU CA C 13 55.493 0.038 . . . . . . 53 E CA . 15732 1
559 . 1 1 53 53 GLU CB C 13 30.133 0.035 . . . . . . 53 E CB . 15732 1
560 . 1 1 53 53 GLU CG C 13 35.408 0.000 . . . . . . 53 E CG . 15732 1
561 . 1 1 53 53 GLU N N 15 116.021 0.031 . . . . . . 53 E N . 15732 1
562 . 1 1 54 54 GLY H H 1 7.422 0.005 . . . . . . 54 G HN . 15732 1
563 . 1 1 54 54 GLY HA2 H 1 4.473 0.000 . . . . . . 54 G HA1 . 15732 1
564 . 1 1 54 54 GLY HA3 H 1 3.643 0.000 . . . . . . 54 G HA2 . 15732 1
565 . 1 1 54 54 GLY CA C 13 44.790 0.077 . . . . . . 54 G CA . 15732 1
566 . 1 1 54 54 GLY N N 15 105.101 0.019 . . . . . . 54 G N . 15732 1
567 . 1 1 55 55 GLY H H 1 8.462 0.004 . . . . . . 55 G HN . 15732 1
568 . 1 1 55 55 GLY HA2 H 1 4.579 0.000 . . . . . . 55 G HA1 . 15732 1
569 . 1 1 55 55 GLY HA3 H 1 3.675 0.000 . . . . . . 55 G HA2 . 15732 1
570 . 1 1 55 55 GLY CA C 13 43.653 0.056 . . . . . . 55 G CA . 15732 1
571 . 1 1 55 55 GLY N N 15 110.214 0.006 . . . . . . 55 G N . 15732 1
572 . 1 1 56 56 PHE H H 1 8.793 0.004 . . . . . . 56 F HN . 15732 1
573 . 1 1 56 56 PHE HA H 1 4.721 0.000 . . . . . . 56 F HA . 15732 1
574 . 1 1 56 56 PHE HB2 H 1 3.619 0.000 . . . . . . 56 F HB1 . 15732 1
575 . 1 1 56 56 PHE HB3 H 1 3.208 0.000 . . . . . . 56 F HB2 . 15732 1
576 . 1 1 56 56 PHE CA C 13 62.256 0.086 . . . . . . 56 F CA . 15732 1
577 . 1 1 56 56 PHE CB C 13 40.259 0.031 . . . . . . 56 F CB . 15732 1
578 . 1 1 56 56 PHE N N 15 119.257 0.034 . . . . . . 56 F N . 15732 1
579 . 1 1 57 57 ALA H H 1 8.761 0.003 . . . . . . 57 A HN . 15732 1
580 . 1 1 57 57 ALA HA H 1 3.884 0.000 . . . . . . 57 A HA . 15732 1
581 . 1 1 57 57 ALA HB1 H 1 1.502 0.004 . . . . . . 57 A HB1 . 15732 1
582 . 1 1 57 57 ALA HB2 H 1 1.502 0.004 . . . . . . 57 A HB1 . 15732 1
583 . 1 1 57 57 ALA HB3 H 1 1.502 0.004 . . . . . . 57 A HB1 . 15732 1
584 . 1 1 57 57 ALA CA C 13 55.713 0.059 . . . . . . 57 A CA . 15732 1
585 . 1 1 57 57 ALA CB C 13 17.702 0.009 . . . . . . 57 A CB . 15732 1
586 . 1 1 57 57 ALA N N 15 120.642 0.027 . . . . . . 57 A N . 15732 1
587 . 1 1 58 58 VAL H H 1 7.626 0.003 . . . . . . 58 V HN . 15732 1
588 . 1 1 58 58 VAL HA H 1 3.474 0.001 . . . . . . 58 V HA . 15732 1
589 . 1 1 58 58 VAL HB H 1 1.710 0.000 . . . . . . 58 V HB . 15732 1
590 . 1 1 58 58 VAL HG11 H 1 0.968 0.000 . . . . . . 58 V HG11 . 15732 1
591 . 1 1 58 58 VAL HG12 H 1 0.968 0.000 . . . . . . 58 V HG11 . 15732 1
592 . 1 1 58 58 VAL HG13 H 1 0.968 0.000 . . . . . . 58 V HG11 . 15732 1
593 . 1 1 58 58 VAL CA C 13 66.317 0.130 . . . . . . 58 V CA . 15732 1
594 . 1 1 58 58 VAL CB C 13 31.721 0.059 . . . . . . 58 V CB . 15732 1
595 . 1 1 58 58 VAL CG1 C 13 23.245 0.000 . . . . . . 58 V CG1 . 15732 1
596 . 1 1 58 58 VAL CG2 C 13 21.562 0.000 . . . . . . 58 V CG2 . 15732 1
597 . 1 1 58 58 VAL N N 15 120.629 0.018 . . . . . . 58 V N . 15732 1
598 . 1 1 59 59 VAL H H 1 8.137 0.005 . . . . . . 59 V HN . 15732 1
599 . 1 1 59 59 VAL HA H 1 2.930 0.011 . . . . . . 59 V HA . 15732 1
600 . 1 1 59 59 VAL HB H 1 1.284 0.002 . . . . . . 59 V HB . 15732 1
601 . 1 1 59 59 VAL HG11 H 1 0.496 0.002 . . . . . . 59 V HG1 . 15732 1
602 . 1 1 59 59 VAL HG12 H 1 0.496 0.002 . . . . . . 59 V HG1 . 15732 1
603 . 1 1 59 59 VAL HG13 H 1 0.496 0.002 . . . . . . 59 V HG1 . 15732 1
604 . 1 1 59 59 VAL CA C 13 66.532 0.166 . . . . . . 59 V CA . 15732 1
605 . 1 1 59 59 VAL CB C 13 30.825 0.107 . . . . . . 59 V CB . 15732 1
606 . 1 1 59 59 VAL CG1 C 13 25.462 0.000 . . . . . . 59 V CG1 . 15732 1
607 . 1 1 59 59 VAL CG2 C 13 19.017 0.000 . . . . . . 59 V CG2 . 15732 1
608 . 1 1 59 59 VAL N N 15 120.046 0.033 . . . . . . 59 V N . 15732 1
609 . 1 1 60 60 CYS H H 1 7.709 0.005 . . . . . . 60 C HN . 15732 1
610 . 1 1 60 60 CYS HA H 1 4.247 0.000 . . . . . . 60 C HA . 15732 1
611 . 1 1 60 60 CYS CA C 13 63.528 0.050 . . . . . . 60 C CA . 15732 1
612 . 1 1 60 60 CYS CB C 13 27.419 0.105 . . . . . . 60 C CB . 15732 1
613 . 1 1 60 60 CYS N N 15 113.502 0.016 . . . . . . 60 C N . 15732 1
614 . 1 1 61 61 LYS H H 1 8.331 0.003 . . . . . . 61 K HN . 15732 1
615 . 1 1 61 61 LYS HA H 1 3.961 0.000 . . . . . . 61 K HA . 15732 1
616 . 1 1 61 61 LYS HB2 H 1 1.808 0.000 . . . . . . 61 K HB# . 15732 1
617 . 1 1 61 61 LYS HB3 H 1 1.808 0.000 . . . . . . 61 K HB# . 15732 1
618 . 1 1 61 61 LYS HD2 H 1 1.654 0.000 . . . . . . 61 K HD# . 15732 1
619 . 1 1 61 61 LYS HD3 H 1 1.654 0.000 . . . . . . 61 K HD# . 15732 1
620 . 1 1 61 61 LYS HE2 H 1 2.957 0.000 . . . . . . 61 K HE# . 15732 1
621 . 1 1 61 61 LYS HE3 H 1 2.957 0.000 . . . . . . 61 K HE# . 15732 1
622 . 1 1 61 61 LYS HG2 H 1 1.654 0.000 . . . . . . 61 K HG1 . 15732 1
623 . 1 1 61 61 LYS HG3 H 1 1.472 0.000 . . . . . . 61 K HG2 . 15732 1
624 . 1 1 61 61 LYS CA C 13 59.660 0.054 . . . . . . 61 K CA . 15732 1
625 . 1 1 61 61 LYS CB C 13 32.596 0.039 . . . . . . 61 K CB . 15732 1
626 . 1 1 61 61 LYS CD C 13 29.241 0.000 . . . . . . 61 K CD . 15732 1
627 . 1 1 61 61 LYS CE C 13 41.921 0.000 . . . . . . 61 K CE . 15732 1
628 . 1 1 61 61 LYS CG C 13 24.198 0.000 . . . . . . 61 K CG . 15732 1
629 . 1 1 61 61 LYS N N 15 123.310 0.004 . . . . . . 61 K N . 15732 1
630 . 1 1 62 62 ASP H H 1 8.541 0.004 . . . . . . 62 D HN . 15732 1
631 . 1 1 62 62 ASP HA H 1 4.715 0.005 . . . . . . 62 D HA . 15732 1
632 . 1 1 62 62 ASP HB2 H 1 2.755 0.000 . . . . . . 62 D HB1 . 15732 1
633 . 1 1 62 62 ASP HB3 H 1 2.434 0.000 . . . . . . 62 D HB2 . 15732 1
634 . 1 1 62 62 ASP CA C 13 54.218 0.051 . . . . . . 62 D CA . 15732 1
635 . 1 1 62 62 ASP CB C 13 40.040 0.014 . . . . . . 62 D CB . 15732 1
636 . 1 1 62 62 ASP N N 15 116.468 0.037 . . . . . . 62 D N . 15732 1
637 . 1 1 63 63 ARG H H 1 7.577 0.004 . . . . . . 63 R HN . 15732 1
638 . 1 1 63 63 ARG HA H 1 4.071 0.005 . . . . . . 63 R HA . 15732 1
639 . 1 1 63 63 ARG HB2 H 1 2.186 0.000 . . . . . . 63 R HB1 . 15732 1
640 . 1 1 63 63 ARG HB3 H 1 1.916 0.000 . . . . . . 63 R HB2 . 15732 1
641 . 1 1 63 63 ARG HD2 H 1 3.311 0.000 . . . . . . 63 R HD# . 15732 1
642 . 1 1 63 63 ARG HD3 H 1 3.311 0.000 . . . . . . 63 R HD# . 15732 1
643 . 1 1 63 63 ARG CA C 13 57.214 0.000 . . . . . . 63 R CA . 15732 1
644 . 1 1 63 63 ARG CB C 13 26.775 0.000 . . . . . . 63 R CB . 15732 1
645 . 1 1 63 63 ARG N N 15 117.265 0.029 . . . . . . 63 R N . 15732 1
646 . 1 1 64 64 LYS H H 1 8.499 0.006 . . . . . . 64 K HN . 15732 1
647 . 1 1 64 64 LYS HA H 1 4.639 0.000 . . . . . . 64 K HA . 15732 1
648 . 1 1 64 64 LYS HB2 H 1 1.922 0.000 . . . . . . 64 K HB1 . 15732 1
649 . 1 1 64 64 LYS HD2 H 1 1.495 0.000 . . . . . . 64 K HD# . 15732 1
650 . 1 1 64 64 LYS HD3 H 1 1.495 0.000 . . . . . . 64 K HD# . 15732 1
651 . 1 1 64 64 LYS HE2 H 1 2.870 0.000 . . . . . . 64 K HE# . 15732 1
652 . 1 1 64 64 LYS HE3 H 1 2.870 0.000 . . . . . . 64 K HE# . 15732 1
653 . 1 1 64 64 LYS HG2 H 1 1.290 0.000 . . . . . . 64 K HG# . 15732 1
654 . 1 1 64 64 LYS HG3 H 1 1.290 0.000 . . . . . . 64 K HG# . 15732 1
655 . 1 1 64 64 LYS CA C 13 56.139 0.037 . . . . . . 64 K CA . 15732 1
656 . 1 1 64 64 LYS CB C 13 33.747 0.082 . . . . . . 64 K CB . 15732 1
657 . 1 1 64 64 LYS CD C 13 30.214 0.013 . . . . . . 64 K CD . 15732 1
658 . 1 1 64 64 LYS CE C 13 42.052 0.005 . . . . . . 64 K CE . 15732 1
659 . 1 1 64 64 LYS CG C 13 25.864 0.004 . . . . . . 64 K CG . 15732 1
660 . 1 1 64 64 LYS N N 15 115.247 0.013 . . . . . . 64 K N . 15732 1
661 . 1 1 65 65 TRP H H 1 7.776 0.005 . . . . . . 65 W HN . 15732 1
662 . 1 1 65 65 TRP CA C 13 60.923 0.016 . . . . . . 65 W CA . 15732 1
663 . 1 1 65 65 TRP CB C 13 28.436 0.016 . . . . . . 65 W CB . 15732 1
664 . 1 1 65 65 TRP N N 15 119.959 0.049 . . . . . . 65 W N . 15732 1
665 . 1 1 67 67 LYS H H 1 7.784 0.003 . . . . . . 67 K HN . 15732 1
666 . 1 1 67 67 LYS CA C 13 59.109 0.003 . . . . . . 67 K CA . 15732 1
667 . 1 1 67 67 LYS N N 15 125.347 0.012 . . . . . . 67 K N . 15732 1
668 . 1 1 68 68 ILE H H 1 8.204 0.198 . . . . . . 68 I HN . 15732 1
669 . 1 1 68 68 ILE CA C 13 63.684 0.074 . . . . . . 68 I CA . 15732 1
670 . 1 1 68 68 ILE CB C 13 37.212 0.002 . . . . . . 68 I CB . 15732 1
671 . 1 1 68 68 ILE N N 15 119.511 0.046 . . . . . . 68 I N . 15732 1
672 . 1 1 69 69 ALA H H 1 7.885 0.003 . . . . . . 69 A HN . 15732 1
673 . 1 1 69 69 ALA HA H 1 4.085 0.000 . . . . . . 69 A HA . 15732 1
674 . 1 1 69 69 ALA HB1 H 1 1.590 0.007 . . . . . . 69 A HB1 . 15732 1
675 . 1 1 69 69 ALA HB2 H 1 1.590 0.007 . . . . . . 69 A HB1 . 15732 1
676 . 1 1 69 69 ALA HB3 H 1 1.590 0.007 . . . . . . 69 A HB1 . 15732 1
677 . 1 1 69 69 ALA CA C 13 55.862 0.033 . . . . . . 69 A CA . 15732 1
678 . 1 1 69 69 ALA CB C 13 18.851 0.023 . . . . . . 69 A CB . 15732 1
679 . 1 1 69 69 ALA N N 15 124.877 0.044 . . . . . . 69 A N . 15732 1
680 . 1 1 70 70 THR H H 1 8.447 0.003 . . . . . . 70 T HN . 15732 1
681 . 1 1 70 70 THR CA C 13 65.815 0.000 . . . . . . 70 T CA . 15732 1
682 . 1 1 70 70 THR CB C 13 68.650 0.000 . . . . . . 70 T CB . 15732 1
683 . 1 1 70 70 THR N N 15 113.224 0.014 . . . . . . 70 T N . 15732 1
684 . 1 1 71 71 LYS H H 1 8.216 0.004 . . . . . . 71 K HN . 15732 1
685 . 1 1 71 71 LYS HA H 1 4.092 0.016 . . . . . . 71 K HA . 15732 1
686 . 1 1 71 71 LYS HB2 H 1 1.954 0.010 . . . . . . 71 K HB# . 15732 1
687 . 1 1 71 71 LYS HB3 H 1 1.954 0.010 . . . . . . 71 K HB# . 15732 1
688 . 1 1 71 71 LYS HD2 H 1 1.692 0.000 . . . . . . 71 K HD1 . 15732 1
689 . 1 1 71 71 LYS HD3 H 1 1.626 0.000 . . . . . . 71 K HD2 . 15732 1
690 . 1 1 71 71 LYS HE2 H 1 2.945 0.029 . . . . . . 71 K HE# . 15732 1
691 . 1 1 71 71 LYS HE3 H 1 2.945 0.029 . . . . . . 71 K HE# . 15732 1
692 . 1 1 71 71 LYS HG2 H 1 1.486 0.000 . . . . . . 71 K HG1 . 15732 1
693 . 1 1 71 71 LYS HG3 H 1 1.443 0.000 . . . . . . 71 K HG2 . 15732 1
694 . 1 1 71 71 LYS CA C 13 59.110 0.245 . . . . . . 71 K CA . 15732 1
695 . 1 1 71 71 LYS CB C 13 32.447 0.028 . . . . . . 71 K CB . 15732 1
696 . 1 1 71 71 LYS CD C 13 29.432 0.000 . . . . . . 71 K CD . 15732 1
697 . 1 1 71 71 LYS CE C 13 41.984 0.000 . . . . . . 71 K CE . 15732 1
698 . 1 1 71 71 LYS CG C 13 26.006 0.000 . . . . . . 71 K CG . 15732 1
699 . 1 1 71 71 LYS N N 15 125.430 0.027 . . . . . . 71 K N . 15732 1
700 . 1 1 72 72 MET H H 1 7.814 0.005 . . . . . . 72 M HN . 15732 1
701 . 1 1 72 72 MET HA H 1 4.218 0.002 . . . . . . 72 M HA . 15732 1
702 . 1 1 72 72 MET HB2 H 1 2.489 0.003 . . . . . . 72 M HB1 . 15732 1
703 . 1 1 72 72 MET HE1 H 1 2.248 0.000 . . . . . . 72 M HE1 . 15732 1
704 . 1 1 72 72 MET HE2 H 1 2.248 0.000 . . . . . . 72 M HE1 . 15732 1
705 . 1 1 72 72 MET HE3 H 1 2.248 0.000 . . . . . . 72 M HE1 . 15732 1
706 . 1 1 72 72 MET HG2 H 1 2.915 0.000 . . . . . . 72 M HG# . 15732 1
707 . 1 1 72 72 MET HG3 H 1 2.915 0.000 . . . . . . 72 M HG# . 15732 1
708 . 1 1 72 72 MET CA C 13 56.846 0.107 . . . . . . 72 M CA . 15732 1
709 . 1 1 72 72 MET CB C 13 33.983 0.028 . . . . . . 72 M CB . 15732 1
710 . 1 1 72 72 MET N N 15 116.133 0.017 . . . . . . 72 M N . 15732 1
711 . 1 1 73 73 GLY H H 1 7.799 0.005 . . . . . . 73 G HN . 15732 1
712 . 1 1 73 73 GLY HA2 H 1 4.076 0.000 . . . . . . 73 G HA1 . 15732 1
713 . 1 1 73 73 GLY HA3 H 1 3.699 0.000 . . . . . . 73 G HA2 . 15732 1
714 . 1 1 73 73 GLY CA C 13 45.230 0.009 . . . . . . 73 G CA . 15732 1
715 . 1 1 73 73 GLY N N 15 106.512 0.025 . . . . . . 73 G N . 15732 1
716 . 1 1 74 74 PHE H H 1 7.853 0.004 . . . . . . 74 F HN . 15732 1
717 . 1 1 74 74 PHE HA H 1 4.631 0.001 . . . . . . 74 F HA . 15732 1
718 . 1 1 74 74 PHE HB2 H 1 3.229 0.004 . . . . . . 74 F HB1 . 15732 1
719 . 1 1 74 74 PHE HB3 H 1 2.626 0.000 . . . . . . 74 F HB2 . 15732 1
720 . 1 1 74 74 PHE CA C 13 57.767 0.023 . . . . . . 74 F CA . 15732 1
721 . 1 1 74 74 PHE CB C 13 39.591 0.018 . . . . . . 74 F CB . 15732 1
722 . 1 1 74 74 PHE N N 15 119.780 0.018 . . . . . . 74 F N . 15732 1
723 . 1 1 75 75 ALA H H 1 9.170 0.004 . . . . . . 75 A HN . 15732 1
724 . 1 1 75 75 ALA CA C 13 50.596 0.000 . . . . . . 75 A CA . 15732 1
725 . 1 1 75 75 ALA CB C 13 17.851 0.000 . . . . . . 75 A CB . 15732 1
726 . 1 1 75 75 ALA N N 15 126.821 0.010 . . . . . . 75 A N . 15732 1
727 . 1 1 76 76 PRO HA H 1 4.406 0.005 . . . . . . 76 P HA . 15732 1
728 . 1 1 76 76 PRO HB2 H 1 1.994 0.000 . . . . . . 76 P HB1 . 15732 1
729 . 1 1 76 76 PRO HB3 H 1 2.064 0.005 . . . . . . 76 P HB2 . 15732 1
730 . 1 1 76 76 PRO HD2 H 1 3.797 0.000 . . . . . . 76 P HD1 . 15732 1
731 . 1 1 76 76 PRO HD3 H 1 3.646 0.000 . . . . . . 76 P HD2 . 15732 1
732 . 1 1 76 76 PRO HG2 H 1 1.994 0.000 . . . . . . 76 P HG1 . 15732 1
733 . 1 1 76 76 PRO HG3 H 1 1.861 0.000 . . . . . . 76 P HG2 . 15732 1
734 . 1 1 76 76 PRO CA C 13 62.916 0.065 . . . . . . 76 P CA . 15732 1
735 . 1 1 76 76 PRO CB C 13 31.087 0.056 . . . . . . 76 P CB . 15732 1
736 . 1 1 76 76 PRO CD C 13 50.237 0.000 . . . . . . 76 P CD . 15732 1
737 . 1 1 76 76 PRO CG C 13 27.505 0.000 . . . . . . 76 P CG . 15732 1
738 . 1 1 77 77 GLY H H 1 7.878 0.003 . . . . . . 77 G HN . 15732 1
739 . 1 1 77 77 GLY HA2 H 1 4.775 0.000 . . . . . . 77 G HA1 . 15732 1
740 . 1 1 77 77 GLY HA3 H 1 4.093 0.000 . . . . . . 77 G HA2 . 15732 1
741 . 1 1 77 77 GLY CA C 13 45.294 0.003 . . . . . . 77 G CA . 15732 1
742 . 1 1 77 77 GLY N N 15 108.344 0.037 . . . . . . 77 G N . 15732 1
743 . 1 1 79 79 ALA HA H 1 4.282 0.000 . . . . . . 79 A HA . 15732 1
744 . 1 1 79 79 ALA HB1 H 1 1.293 0.000 . . . . . . 79 A HB1 . 15732 1
745 . 1 1 79 79 ALA HB2 H 1 1.293 0.000 . . . . . . 79 A HB1 . 15732 1
746 . 1 1 79 79 ALA HB3 H 1 1.293 0.000 . . . . . . 79 A HB1 . 15732 1
747 . 1 1 79 79 ALA CA C 13 53.327 0.053 . . . . . . 79 A CA . 15732 1
748 . 1 1 79 79 ALA CB C 13 18.898 0.045 . . . . . . 79 A CB . 15732 1
749 . 1 1 80 80 VAL H H 1 7.743 0.002 . . . . . . 80 V HN . 15732 1
750 . 1 1 80 80 VAL HA H 1 3.752 0.000 . . . . . . 80 V HA . 15732 1
751 . 1 1 80 80 VAL HB H 1 2.094 0.000 . . . . . . 80 V HB . 15732 1
752 . 1 1 80 80 VAL HG11 H 1 0.835 0.000 . . . . . . 80 V HG# . 15732 1
753 . 1 1 80 80 VAL HG12 H 1 0.835 0.000 . . . . . . 80 V HG# . 15732 1
754 . 1 1 80 80 VAL HG13 H 1 0.835 0.000 . . . . . . 80 V HG# . 15732 1
755 . 1 1 80 80 VAL HG21 H 1 0.835 0.000 . . . . . . 80 V HG# . 15732 1
756 . 1 1 80 80 VAL HG22 H 1 0.835 0.000 . . . . . . 80 V HG# . 15732 1
757 . 1 1 80 80 VAL HG23 H 1 0.835 0.000 . . . . . . 80 V HG# . 15732 1
758 . 1 1 80 80 VAL CA C 13 65.623 0.061 . . . . . . 80 V CA . 15732 1
759 . 1 1 80 80 VAL CB C 13 31.465 0.024 . . . . . . 80 V CB . 15732 1
760 . 1 1 80 80 VAL N N 15 118.391 0.021 . . . . . . 80 V N . 15732 1
761 . 1 1 81 81 GLY H H 1 8.431 0.004 . . . . . . 81 G HN . 15732 1
762 . 1 1 81 81 GLY HA2 H 1 3.731 0.000 . . . . . . 81 G HA1 . 15732 1
763 . 1 1 81 81 GLY HA3 H 1 3.565 0.000 . . . . . . 81 G HA2 . 15732 1
764 . 1 1 81 81 GLY CA C 13 47.366 0.003 . . . . . . 81 G CA . 15732 1
765 . 1 1 81 81 GLY N N 15 108.744 0.015 . . . . . . 81 G N . 15732 1
766 . 1 1 82 82 SER H H 1 7.762 0.004 . . . . . . 82 S HN . 15732 1
767 . 1 1 82 82 SER HA H 1 3.926 0.000 . . . . . . 82 S HA . 15732 1
768 . 1 1 82 82 SER HB2 H 1 3.792 0.000 . . . . . . 82 S HB# . 15732 1
769 . 1 1 82 82 SER HB3 H 1 3.792 0.000 . . . . . . 82 S HB# . 15732 1
770 . 1 1 82 82 SER HG H 1 5.005 0.000 . . . . . . 82 S HG . 15732 1
771 . 1 1 82 82 SER CA C 13 61.157 0.000 . . . . . . 82 S CA . 15732 1
772 . 1 1 82 82 SER CB C 13 62.103 0.000 . . . . . . 82 S CB . 15732 1
773 . 1 1 82 82 SER N N 15 116.140 0.023 . . . . . . 82 S N . 15732 1
774 . 1 1 83 83 HIS H H 1 7.999 0.006 . . . . . . 83 H HN . 15732 1
775 . 1 1 83 83 HIS HA H 1 4.335 0.000 . . . . . . 83 H HA . 15732 1
776 . 1 1 83 83 HIS HB2 H 1 3.229 0.000 . . . . . . 83 H HB2 . 15732 1
777 . 1 1 83 83 HIS HB3 H 1 2.968 0.000 . . . . . . 83 H HB3 . 15732 1
778 . 1 1 83 83 HIS CA C 13 58.245 0.173 . . . . . . 83 H CA . 15732 1
779 . 1 1 83 83 HIS CB C 13 30.704 0.049 . . . . . . 83 H CB . 15732 1
780 . 1 1 83 83 HIS N N 15 122.909 0.004 . . . . . . 83 H N . 15732 1
781 . 1 1 84 84 ILE H H 1 8.270 0.004 . . . . . . 84 I HN . 15732 1
782 . 1 1 84 84 ILE HA H 1 3.718 0.000 . . . . . . 84 I HA . 15732 1
783 . 1 1 84 84 ILE HB H 1 2.115 0.000 . . . . . . 84 I HB . 15732 1
784 . 1 1 84 84 ILE HD11 H 1 -0.130 0.000 . . . . . . 84 I HD1# . 15732 1
785 . 1 1 84 84 ILE HD12 H 1 -0.130 0.000 . . . . . . 84 I HD1# . 15732 1
786 . 1 1 84 84 ILE HD13 H 1 -0.130 0.000 . . . . . . 84 I HD1# . 15732 1
787 . 1 1 84 84 ILE HG12 H 1 1.197 0.000 . . . . . . 84 I HG1# . 15732 1
788 . 1 1 84 84 ILE HG13 H 1 1.197 0.000 . . . . . . 84 I HG1# . 15732 1
789 . 1 1 84 84 ILE CA C 13 65.983 0.070 . . . . . . 84 I CA . 15732 1
790 . 1 1 84 84 ILE CB C 13 37.298 0.092 . . . . . . 84 I CB . 15732 1
791 . 1 1 84 84 ILE N N 15 117.758 0.039 . . . . . . 84 I N . 15732 1
792 . 1 1 85 85 ARG H H 1 7.796 0.005 . . . . . . 85 R HN . 15732 1
793 . 1 1 85 85 ARG CA C 13 59.050 0.039 . . . . . . 85 R CA . 15732 1
794 . 1 1 85 85 ARG CB C 13 28.561 0.056 . . . . . . 85 R CB . 15732 1
795 . 1 1 85 85 ARG N N 15 122.061 0.023 . . . . . . 85 R N . 15732 1
796 . 1 1 86 86 GLY H H 1 7.577 0.008 . . . . . . 86 G HN . 15732 1
797 . 1 1 86 86 GLY HA2 H 1 3.755 0.000 . . . . . . 86 G HA1 . 15732 1
798 . 1 1 86 86 GLY CA C 13 47.191 0.028 . . . . . . 86 G CA . 15732 1
799 . 1 1 86 86 GLY N N 15 105.202 0.032 . . . . . . 86 G N . 15732 1
800 . 1 1 87 87 HIS H H 1 7.571 0.005 . . . . . . 87 H HN . 15732 1
801 . 1 1 87 87 HIS HA H 1 4.698 0.001 . . . . . . 87 H HA . 15732 1
802 . 1 1 87 87 HIS HB2 H 1 2.884 0.000 . . . . . . 87 H HB1 . 15732 1
803 . 1 1 87 87 HIS HB3 H 1 2.666 0.000 . . . . . . 87 H HB2 . 15732 1
804 . 1 1 87 87 HIS CA C 13 59.088 0.006 . . . . . . 87 H CA . 15732 1
805 . 1 1 87 87 HIS CB C 13 31.342 0.045 . . . . . . 87 H CB . 15732 1
806 . 1 1 87 87 HIS N N 15 119.411 0.007 . . . . . . 87 H N . 15732 1
807 . 1 1 88 88 TYR H H 1 8.843 0.005 . . . . . . 88 Y HN . 15732 1
808 . 1 1 88 88 TYR CA C 13 63.140 0.022 . . . . . . 88 Y CA . 15732 1
809 . 1 1 88 88 TYR CB C 13 39.626 0.032 . . . . . . 88 Y CB . 15732 1
810 . 1 1 88 88 TYR N N 15 120.650 0.031 . . . . . . 88 Y N . 15732 1
811 . 1 1 89 89 GLU H H 1 9.240 0.001 . . . . . . 89 E HN . 15732 1
812 . 1 1 89 89 GLU HA H 1 3.588 0.003 . . . . . . 89 E HA . 15732 1
813 . 1 1 89 89 GLU HB2 H 1 2.340 0.000 . . . . . . 89 E HB# . 15732 1
814 . 1 1 89 89 GLU HB3 H 1 2.340 0.000 . . . . . . 89 E HB# . 15732 1
815 . 1 1 89 89 GLU HG2 H 1 2.495 0.000 . . . . . . 89 E HG# . 15732 1
816 . 1 1 89 89 GLU HG3 H 1 2.495 0.000 . . . . . . 89 E HG# . 15732 1
817 . 1 1 89 89 GLU CA C 13 60.388 0.056 . . . . . . 89 E CA . 15732 1
818 . 1 1 89 89 GLU CB C 13 30.474 0.058 . . . . . . 89 E CB . 15732 1
819 . 1 1 89 89 GLU CG C 13 37.753 0.000 . . . . . . 89 E CG . 15732 1
820 . 1 1 89 89 GLU N N 15 120.207 0.034 . . . . . . 89 E N . 15732 1
821 . 1 1 90 90 ARG H H 1 8.017 0.005 . . . . . . 90 R HN . 15732 1
822 . 1 1 90 90 ARG CA C 13 58.594 0.033 . . . . . . 90 R CA . 15732 1
823 . 1 1 90 90 ARG CB C 13 32.044 0.023 . . . . . . 90 R CB . 15732 1
824 . 1 1 90 90 ARG CD C 13 43.046 0.000 . . . . . . 90 R CD . 15732 1
825 . 1 1 90 90 ARG CG C 13 28.417 0.000 . . . . . . 90 R CG . 15732 1
826 . 1 1 90 90 ARG N N 15 114.818 0.011 . . . . . . 90 R N . 15732 1
827 . 1 1 91 91 ILE H H 1 8.103 0.007 . . . . . . 91 I HN . 15732 1
828 . 1 1 91 91 ILE CA C 13 63.654 0.013 . . . . . . 91 I CA . 15732 1
829 . 1 1 91 91 ILE CB C 13 40.568 0.050 . . . . . . 91 I CB . 15732 1
830 . 1 1 91 91 ILE N N 15 113.699 0.019 . . . . . . 91 I N . 15732 1
831 . 1 1 92 92 LEU H H 1 7.343 0.003 . . . . . . 92 L HN . 15732 1
832 . 1 1 92 92 LEU HA H 1 4.517 0.000 . . . . . . 92 L HA . 15732 1
833 . 1 1 92 92 LEU HB2 H 1 1.127 0.000 . . . . . . 92 L HB . 15732 1
834 . 1 1 92 92 LEU HB3 H 1 1.127 0.000 . . . . . . 92 L HB . 15732 1
835 . 1 1 92 92 LEU HD11 H 1 0.883 0.000 . . . . . . 92 L HD# . 15732 1
836 . 1 1 92 92 LEU HD12 H 1 0.883 0.000 . . . . . . 92 L HD# . 15732 1
837 . 1 1 92 92 LEU HD13 H 1 0.883 0.000 . . . . . . 92 L HD# . 15732 1
838 . 1 1 92 92 LEU HD21 H 1 0.883 0.000 . . . . . . 92 L HD# . 15732 1
839 . 1 1 92 92 LEU HD22 H 1 0.883 0.000 . . . . . . 92 L HD# . 15732 1
840 . 1 1 92 92 LEU HD23 H 1 0.883 0.000 . . . . . . 92 L HD# . 15732 1
841 . 1 1 92 92 LEU CA C 13 56.101 0.021 . . . . . . 92 L CA . 15732 1
842 . 1 1 92 92 LEU CB C 13 42.492 0.011 . . . . . . 92 L CB . 15732 1
843 . 1 1 92 92 LEU N N 15 117.070 0.020 . . . . . . 92 L N . 15732 1
844 . 1 1 93 93 ASN H H 1 8.202 0.004 . . . . . . 93 N HN . 15732 1
845 . 1 1 93 93 ASN N N 15 118.972 0.030 . . . . . . 93 N N . 15732 1
846 . 1 1 95 95 TYR CA C 13 59.805 0.007 . . . . . . 95 Y CA . 15732 1
847 . 1 1 95 95 TYR CB C 13 38.361 0.000 . . . . . . 95 Y CB . 15732 1
848 . 1 1 96 96 ASN H H 1 8.328 0.003 . . . . . . 96 N HN . 15732 1
849 . 1 1 96 96 ASN HA H 1 4.181 0.002 . . . . . . 96 N HA . 15732 1
850 . 1 1 96 96 ASN HB2 H 1 2.872 0.000 . . . . . . 96 N HB# . 15732 1
851 . 1 1 96 96 ASN HB3 H 1 2.872 0.000 . . . . . . 96 N HB# . 15732 1
852 . 1 1 96 96 ASN CA C 13 56.076 0.031 . . . . . . 96 N CA . 15732 1
853 . 1 1 96 96 ASN CB C 13 38.174 0.023 . . . . . . 96 N CB . 15732 1
854 . 1 1 96 96 ASN N N 15 118.118 0.017 . . . . . . 96 N N . 15732 1
855 . 1 1 97 97 LEU H H 1 8.241 0.003 . . . . . . 97 L HN . 15732 1
856 . 1 1 97 97 LEU HA H 1 4.083 0.007 . . . . . . 97 L HA . 15732 1
857 . 1 1 97 97 LEU HB2 H 1 1.747 0.003 . . . . . . 97 L HB1 . 15732 1
858 . 1 1 97 97 LEU HB3 H 1 1.451 0.003 . . . . . . 97 L HB2 . 15732 1
859 . 1 1 97 97 LEU HD11 H 1 0.868 0.000 . . . . . . 97 L HD11 . 15732 1
860 . 1 1 97 97 LEU HD12 H 1 0.868 0.000 . . . . . . 97 L HD11 . 15732 1
861 . 1 1 97 97 LEU HD13 H 1 0.868 0.000 . . . . . . 97 L HD11 . 15732 1
862 . 1 1 97 97 LEU HD21 H 1 0.885 0.000 . . . . . . 97 L HD21 . 15732 1
863 . 1 1 97 97 LEU HD22 H 1 0.885 0.000 . . . . . . 97 L HD21 . 15732 1
864 . 1 1 97 97 LEU HD23 H 1 0.885 0.000 . . . . . . 97 L HD21 . 15732 1
865 . 1 1 97 97 LEU HG H 1 1.754 0.000 . . . . . . 97 L HG . 15732 1
866 . 1 1 97 97 LEU CA C 13 57.682 0.000 . . . . . . 97 L CA . 15732 1
867 . 1 1 97 97 LEU CB C 13 46.877 7.544 . . . . . . 97 L CB . 15732 1
868 . 1 1 97 97 LEU CD1 C 13 25.387 0.000 . . . . . . 97 L CD1 . 15732 1
869 . 1 1 97 97 LEU CD2 C 13 23.067 0.000 . . . . . . 97 L CD2 . 15732 1
870 . 1 1 97 97 LEU CG C 13 27.160 0.024 . . . . . . 97 L CG . 15732 1
871 . 1 1 97 97 LEU N N 15 121.077 0.024 . . . . . . 97 L N . 15732 1
872 . 1 1 98 98 PHE H H 1 7.652 0.007 . . . . . . 98 F HN . 15732 1
873 . 1 1 98 98 PHE CA C 13 60.135 0.006 . . . . . . 98 F CA . 15732 1
874 . 1 1 98 98 PHE CB C 13 38.689 0.016 . . . . . . 98 F CB . 15732 1
875 . 1 1 98 98 PHE N N 15 123.109 0.016 . . . . . . 98 F N . 15732 1
876 . 1 1 100 100 SER HA H 1 4.293 0.006 . . . . . . 100 S HA . 15732 1
877 . 1 1 100 100 SER HB2 H 1 3.916 0.000 . . . . . . 100 S HB# . 15732 1
878 . 1 1 100 100 SER HB3 H 1 3.916 0.000 . . . . . . 100 S HB# . 15732 1
879 . 1 1 100 100 SER CA C 13 59.587 0.034 . . . . . . 100 S CA . 15732 1
880 . 1 1 100 100 SER CB C 13 63.633 0.020 . . . . . . 100 S CB . 15732 1
881 . 1 1 101 101 GLY H H 1 7.667 0.002 . . . . . . 101 G HN . 15732 1
882 . 1 1 101 101 GLY HA2 H 1 3.960 0.000 . . . . . . 101 G HA# . 15732 1
883 . 1 1 101 101 GLY HA3 H 1 3.960 0.000 . . . . . . 101 G HA# . 15732 1
884 . 1 1 101 101 GLY CA C 13 45.791 0.019 . . . . . . 101 G CA . 15732 1
885 . 1 1 101 101 GLY N N 15 109.331 0.005 . . . . . . 101 G N . 15732 1
886 . 1 1 102 102 ASP H H 1 8.068 0.002 . . . . . . 102 D HN . 15732 1
887 . 1 1 102 102 ASP HA H 1 4.573 0.000 . . . . . . 102 D HA . 15732 1
888 . 1 1 102 102 ASP HB2 H 1 2.621 0.000 . . . . . . 102 D HB# . 15732 1
889 . 1 1 102 102 ASP HB3 H 1 2.621 0.000 . . . . . . 102 D HB# . 15732 1
890 . 1 1 102 102 ASP CA C 13 54.924 0.129 . . . . . . 102 D CA . 15732 1
891 . 1 1 102 102 ASP CB C 13 41.672 0.041 . . . . . . 102 D CB . 15732 1
892 . 1 1 102 102 ASP N N 15 121.093 0.039 . . . . . . 102 D N . 15732 1
893 . 1 1 103 103 SER H H 1 8.210 0.004 . . . . . . 103 S HN . 15732 1
894 . 1 1 103 103 SER HA H 1 4.316 0.002 . . . . . . 103 S HA . 15732 1
895 . 1 1 103 103 SER HB2 H 1 3.863 0.002 . . . . . . 103 S HB# . 15732 1
896 . 1 1 103 103 SER HB3 H 1 3.863 0.002 . . . . . . 103 S HB# . 15732 1
897 . 1 1 103 103 SER HG H 1 4.789 0.009 . . . . . . 103 S HG . 15732 1
898 . 1 1 103 103 SER CA C 13 59.625 0.065 . . . . . . 103 S CA . 15732 1
899 . 1 1 103 103 SER CB C 13 63.398 0.001 . . . . . . 103 S CB . 15732 1
900 . 1 1 103 103 SER N N 15 115.672 0.025 . . . . . . 103 S N . 15732 1
901 . 1 1 104 104 LEU H H 1 8.041 0.004 . . . . . . 104 L HN . 15732 1
902 . 1 1 104 104 LEU CA C 13 55.831 0.029 . . . . . . 104 L CA . 15732 1
903 . 1 1 104 104 LEU CB C 13 41.894 0.021 . . . . . . 104 L CB . 15732 1
904 . 1 1 104 104 LEU N N 15 122.221 0.025 . . . . . . 104 L N . 15732 1
905 . 1 1 105 105 ARG H H 1 7.965 0.013 . . . . . . 105 R HN . 15732 1
906 . 1 1 105 105 ARG N N 15 120.104 0.004 . . . . . . 105 R N . 15732 1
stop_
save_