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 17833
_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' . . . 17833 1
2 '3D HNCA' . . . 17833 1
3 '3D HN(CO)CA' . . . 17833 1
4 '3D HNCACB' . . . 17833 1
5 '3D CBCA(CO)NH' . . . 17833 1
6 '3D HNCO' . . . 17833 1
7 '3D HN(CA)CO' . . . 17833 1
8 '2D 1H-1H TOCSY' . . . 17833 1
9 '3D C(CO)NH' . . . 17833 1
10 '3D H(CCO)NH' . . . 17833 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 MET C C 13 177.248 0.000 . 1 . . . . 1 M C . 17833 1
2 . 1 1 1 1 MET CA C 13 54.967 0.000 . 1 . . . . 1 M CA . 17833 1
3 . 1 1 2 2 SER H H 1 8.322 0.001 . 1 . . . . 2 S H . 17833 1
4 . 1 1 2 2 SER HA H 1 4.467 0.009 . 1 . . . . 2 S HA . 17833 1
5 . 1 1 2 2 SER HB2 H 1 3.878 0.005 . 2 . . . . 2 S HB2 . 17833 1
6 . 1 1 2 2 SER HB3 H 1 3.874 0.006 . 2 . . . . 2 S HB3 . 17833 1
7 . 1 1 2 2 SER C C 13 174.909 0.007 . 1 . . . . 2 S C . 17833 1
8 . 1 1 2 2 SER CA C 13 58.542 0.175 . 1 . . . . 2 S CA . 17833 1
9 . 1 1 2 2 SER CB C 13 63.724 0.089 . 1 . . . . 2 S CB . 17833 1
10 . 1 1 2 2 SER N N 15 121.595 0.034 . 1 . . . . 2 S N . 17833 1
11 . 1 1 3 3 SER H H 1 8.412 0.002 . 1 . . . . 3 S H . 17833 1
12 . 1 1 3 3 SER HA H 1 4.449 0.011 . 1 . . . . 3 S HA . 17833 1
13 . 1 1 3 3 SER HB2 H 1 3.872 0.007 . 2 . . . . 3 S HB2 . 17833 1
14 . 1 1 3 3 SER HB3 H 1 3.876 0.006 . 2 . . . . 3 S HB3 . 17833 1
15 . 1 1 3 3 SER C C 13 174.003 0.007 . 1 . . . . 3 S C . 17833 1
16 . 1 1 3 3 SER CA C 13 58.376 0.062 . 1 . . . . 3 S CA . 17833 1
17 . 1 1 3 3 SER CB C 13 63.727 0.151 . 1 . . . . 3 S CB . 17833 1
18 . 1 1 3 3 SER N N 15 117.871 0.052 . 1 . . . . 3 S N . 17833 1
19 . 1 1 4 4 GLU H H 1 8.319 0.004 . 1 . . . . 4 E H . 17833 1
20 . 1 1 4 4 GLU HA H 1 4.391 0.003 . 1 . . . . 4 E HA . 17833 1
21 . 1 1 4 4 GLU HB2 H 1 1.937 0.009 . 2 . . . . 4 E HB2 . 17833 1
22 . 1 1 4 4 GLU HB3 H 1 1.792 0.008 . 2 . . . . 4 E HB3 . 17833 1
23 . 1 1 4 4 GLU HG2 H 1 2.256 0.003 . 2 . . . . 4 E HG2 . 17833 1
24 . 1 1 4 4 GLU HG3 H 1 2.258 0.003 . 2 . . . . 4 E HG3 . 17833 1
25 . 1 1 4 4 GLU C C 13 174.525 0.000 . 1 . . . . 4 E C . 17833 1
26 . 1 1 4 4 GLU CA C 13 54.364 0.161 . 1 . . . . 4 E CA . 17833 1
27 . 1 1 4 4 GLU CB C 13 29.769 0.132 . 1 . . . . 4 E CB . 17833 1
28 . 1 1 4 4 GLU N N 15 122.851 0.058 . 1 . . . . 4 E N . 17833 1
29 . 1 1 5 5 PRO HA H 1 3.620 0.010 . 1 . . . . 5 P HA . 17833 1
30 . 1 1 5 5 PRO HB2 H 1 1.988 0.012 . 2 . . . . 5 P HB2 . 17833 1
31 . 1 1 5 5 PRO HB3 H 1 1.725 0.010 . 2 . . . . 5 P HB3 . 17833 1
32 . 1 1 5 5 PRO HG2 H 1 1.578 0.011 . 2 . . . . 5 P HG2 . 17833 1
33 . 1 1 5 5 PRO HG3 H 1 1.640 0.008 . 2 . . . . 5 P HG3 . 17833 1
34 . 1 1 5 5 PRO HD2 H 1 3.338 0.006 . 2 . . . . 5 P HD2 . 17833 1
35 . 1 1 5 5 PRO HD3 H 1 2.729 0.007 . 2 . . . . 5 P HD3 . 17833 1
36 . 1 1 5 5 PRO C C 13 175.903 0.000 . 1 . . . . 5 P C . 17833 1
37 . 1 1 5 5 PRO CA C 13 64.034 0.119 . 1 . . . . 5 P CA . 17833 1
38 . 1 1 5 5 PRO CB C 13 32.267 0.229 . 1 . . . . 5 P CB . 17833 1
39 . 1 1 5 5 PRO CG C 13 27.456 0.106 . 1 . . . . 5 P CG . 17833 1
40 . 1 1 5 5 PRO CD C 13 50.076 0.121 . 1 . . . . 5 P CD . 17833 1
41 . 1 1 6 6 PHE H H 1 6.322 0.008 . 1 . . . . 6 F H . 17833 1
42 . 1 1 6 6 PHE HA H 1 5.231 0.009 . 1 . . . . 6 F HA . 17833 1
43 . 1 1 6 6 PHE HB2 H 1 3.090 0.006 . 2 . . . . 6 F HB2 . 17833 1
44 . 1 1 6 6 PHE HB3 H 1 3.039 0.008 . 2 . . . . 6 F HB3 . 17833 1
45 . 1 1 6 6 PHE C C 13 174.105 0.003 . 1 . . . . 6 F C . 17833 1
46 . 1 1 6 6 PHE CA C 13 55.349 0.124 . 1 . . . . 6 F CA . 17833 1
47 . 1 1 6 6 PHE CB C 13 41.341 0.117 . 1 . . . . 6 F CB . 17833 1
48 . 1 1 6 6 PHE N N 15 113.734 0.094 . 1 . . . . 6 F N . 17833 1
49 . 1 1 7 7 ILE H H 1 8.579 0.002 . 1 . . . . 7 I H . 17833 1
50 . 1 1 7 7 ILE HA H 1 4.453 0.007 . 1 . . . . 7 I HA . 17833 1
51 . 1 1 7 7 ILE HB H 1 1.992 0.005 . 1 . . . . 7 I HB . 17833 1
52 . 1 1 7 7 ILE HG12 H 1 1.305 0.008 . 2 . . . . 7 I HG12 . 17833 1
53 . 1 1 7 7 ILE HG13 H 1 1.162 0.005 . 2 . . . . 7 I HG13 . 17833 1
54 . 1 1 7 7 ILE HG21 H 1 0.960 0.004 . 2 . . . . 7 I HG2 . 17833 1
55 . 1 1 7 7 ILE HG22 H 1 0.960 0.004 . 2 . . . . 7 I HG2 . 17833 1
56 . 1 1 7 7 ILE HG23 H 1 0.960 0.004 . 2 . . . . 7 I HG2 . 17833 1
57 . 1 1 7 7 ILE HD11 H 1 0.883 0.006 . 2 . . . . 7 I HD1 . 17833 1
58 . 1 1 7 7 ILE HD12 H 1 0.883 0.006 . 2 . . . . 7 I HD1 . 17833 1
59 . 1 1 7 7 ILE HD13 H 1 0.883 0.006 . 2 . . . . 7 I HD1 . 17833 1
60 . 1 1 7 7 ILE C C 13 174.389 0.163 . 1 . . . . 7 I C . 17833 1
61 . 1 1 7 7 ILE CA C 13 60.165 0.130 . 1 . . . . 7 I CA . 17833 1
62 . 1 1 7 7 ILE CB C 13 41.419 0.160 . 1 . . . . 7 I CB . 17833 1
63 . 1 1 7 7 ILE CG1 C 13 26.900 0.138 . 1 . . . . 7 I CG1 . 17833 1
64 . 1 1 7 7 ILE CG2 C 13 18.602 0.173 . 1 . . . . 7 I CG2 . 17833 1
65 . 1 1 7 7 ILE CD1 C 13 14.039 0.191 . 1 . . . . 7 I CD1 . 17833 1
66 . 1 1 7 7 ILE N N 15 113.260 0.095 . 1 . . . . 7 I N . 17833 1
67 . 1 1 8 8 VAL H H 1 8.712 0.004 . 1 . . . . 8 V H . 17833 1
68 . 1 1 8 8 VAL HA H 1 4.213 0.010 . 1 . . . . 8 V HA . 17833 1
69 . 1 1 8 8 VAL HB H 1 1.698 0.008 . 1 . . . . 8 V HB . 17833 1
70 . 1 1 8 8 VAL HG11 H 1 0.867 0.006 . 2 . . . . 8 V MG1 . 17833 1
71 . 1 1 8 8 VAL HG12 H 1 0.867 0.006 . 2 . . . . 8 V MG1 . 17833 1
72 . 1 1 8 8 VAL HG13 H 1 0.867 0.006 . 2 . . . . 8 V MG1 . 17833 1
73 . 1 1 8 8 VAL HG21 H 1 0.766 0.008 . 2 . . . . 8 V MG2 . 17833 1
74 . 1 1 8 8 VAL HG22 H 1 0.766 0.008 . 2 . . . . 8 V MG2 . 17833 1
75 . 1 1 8 8 VAL HG23 H 1 0.766 0.008 . 2 . . . . 8 V MG2 . 17833 1
76 . 1 1 8 8 VAL C C 13 174.534 0.006 . 1 . . . . 8 V C . 17833 1
77 . 1 1 8 8 VAL CA C 13 61.631 0.097 . 1 . . . . 8 V CA . 17833 1
78 . 1 1 8 8 VAL CB C 13 33.524 0.150 . 1 . . . . 8 V CB . 17833 1
79 . 1 1 8 8 VAL CG1 C 13 24.456 0.109 . 2 . . . . 8 V CG1 . 17833 1
80 . 1 1 8 8 VAL CG2 C 13 22.224 0.179 . 2 . . . . 8 V CG2 . 17833 1
81 . 1 1 8 8 VAL N N 15 121.854 0.070 . 1 . . . . 8 V N . 17833 1
82 . 1 1 9 9 ASN H H 1 8.944 0.005 . 1 . . . . 9 N H . 17833 1
83 . 1 1 9 9 ASN HA H 1 4.958 0.007 . 1 . . . . 9 N HA . 17833 1
84 . 1 1 9 9 ASN HB2 H 1 2.729 0.004 . 2 . . . . 9 N HB2 . 17833 1
85 . 1 1 9 9 ASN HB3 H 1 2.422 0.005 . 2 . . . . 9 N HB3 . 17833 1
86 . 1 1 9 9 ASN C C 13 174.237 0.005 . 1 . . . . 9 N C . 17833 1
87 . 1 1 9 9 ASN CA C 13 50.909 0.124 . 1 . . . . 9 N CA . 17833 1
88 . 1 1 9 9 ASN CB C 13 41.923 0.124 . 1 . . . . 9 N CB . 17833 1
89 . 1 1 9 9 ASN N N 15 125.365 0.060 . 1 . . . . 9 N N . 17833 1
90 . 1 1 10 10 GLY H H 1 7.380 0.003 . 1 . . . . 10 G H . 17833 1
91 . 1 1 10 10 GLY HA2 H 1 3.849 0.008 . 2 . . . . 10 G HA2 . 17833 1
92 . 1 1 10 10 GLY HA3 H 1 3.846 0.009 . 2 . . . . 10 G HA3 . 17833 1
93 . 1 1 10 10 GLY C C 13 172.289 0.008 . 1 . . . . 10 G C . 17833 1
94 . 1 1 10 10 GLY CA C 13 46.166 0.095 . 1 . . . . 10 G CA . 17833 1
95 . 1 1 10 10 GLY N N 15 104.395 0.050 . 1 . . . . 10 G N . 17833 1
96 . 1 1 11 11 LEU H H 1 8.418 0.005 . 1 . . . . 11 L H . 17833 1
97 . 1 1 11 11 LEU HA H 1 4.388 0.009 . 1 . . . . 11 L HA . 17833 1
98 . 1 1 11 11 LEU HB2 H 1 1.818 0.008 . 2 . . . . 11 L HB2 . 17833 1
99 . 1 1 11 11 LEU HB3 H 1 1.534 0.007 . 2 . . . . 11 L HB3 . 17833 1
100 . 1 1 11 11 LEU HD11 H 1 1.094 0.004 . 2 . . . . 11 L HD1 . 17833 1
101 . 1 1 11 11 LEU HD12 H 1 1.094 0.004 . 2 . . . . 11 L HD1 . 17833 1
102 . 1 1 11 11 LEU HD13 H 1 1.094 0.004 . 2 . . . . 11 L HD1 . 17833 1
103 . 1 1 11 11 LEU HD21 H 1 0.926 0.009 . 2 . . . . 11 L HD2 . 17833 1
104 . 1 1 11 11 LEU HD22 H 1 0.926 0.009 . 2 . . . . 11 L HD2 . 17833 1
105 . 1 1 11 11 LEU HD23 H 1 0.926 0.009 . 2 . . . . 11 L HD2 . 17833 1
106 . 1 1 11 11 LEU C C 13 178.758 0.006 . 1 . . . . 11 L C . 17833 1
107 . 1 1 11 11 LEU CA C 13 55.116 0.186 . 1 . . . . 11 L CA . 17833 1
108 . 1 1 11 11 LEU CB C 13 42.149 0.170 . 1 . . . . 11 L CB . 17833 1
109 . 1 1 11 11 LEU CD1 C 13 26.077 0.160 . 2 . . . . 11 L CD1 . 17833 1
110 . 1 1 11 11 LEU CD2 C 13 22.784 0.109 . 2 . . . . 11 L CD2 . 17833 1
111 . 1 1 11 11 LEU N N 15 120.589 0.077 . 1 . . . . 11 L N . 17833 1
112 . 1 1 12 12 GLU H H 1 9.012 0.017 . 1 . . . . 12 E H . 17833 1
113 . 1 1 12 12 GLU HA H 1 4.519 0.011 . 1 . . . . 12 E HA . 17833 1
114 . 1 1 12 12 GLU HB2 H 1 2.182 0.013 . 2 . . . . 12 E HB2 . 17833 1
115 . 1 1 12 12 GLU HB3 H 1 2.160 0.012 . 2 . . . . 12 E HB3 . 17833 1
116 . 1 1 12 12 GLU HG2 H 1 2.507 0.005 . 2 . . . . 12 E HG2 . 17833 1
117 . 1 1 12 12 GLU HG3 H 1 2.508 0.005 . 2 . . . . 12 E HG3 . 17833 1
118 . 1 1 12 12 GLU C C 13 178.192 0.003 . 1 . . . . 12 E C . 17833 1
119 . 1 1 12 12 GLU CA C 13 58.017 0.135 . 1 . . . . 12 E CA . 17833 1
120 . 1 1 12 12 GLU CB C 13 30.181 0.138 . 1 . . . . 12 E CB . 17833 1
121 . 1 1 12 12 GLU CG C 13 36.403 0.101 . 1 . . . . 12 E CG . 17833 1
122 . 1 1 12 12 GLU N N 15 124.889 0.111 . 1 . . . . 12 E N . 17833 1
123 . 1 1 13 13 GLY H H 1 8.479 0.005 . 1 . . . . 13 G H . 17833 1
124 . 1 1 13 13 GLY HA2 H 1 4.341 0.002 . 2 . . . . 13 G HA2 . 17833 1
125 . 1 1 13 13 GLY HA3 H 1 3.817 0.009 . 2 . . . . 13 G HA3 . 17833 1
126 . 1 1 13 13 GLY C C 13 178.141 0.000 . 1 . . . . 13 G C . 17833 1
127 . 1 1 13 13 GLY CA C 13 44.275 0.128 . 1 . . . . 13 G CA . 17833 1
128 . 1 1 13 13 GLY N N 15 108.016 0.058 . 1 . . . . 13 G N . 17833 1
129 . 1 1 14 14 PRO HA H 1 4.688 0.007 . 1 . . . . 14 P HA . 17833 1
130 . 1 1 14 14 PRO HB2 H 1 2.147 0.007 . 2 . . . . 14 P HB2 . 17833 1
131 . 1 1 14 14 PRO HB3 H 1 1.754 0.006 . 2 . . . . 14 P HB3 . 17833 1
132 . 1 1 14 14 PRO HG2 H 1 1.895 0.007 . 2 . . . . 14 P HG2 . 17833 1
133 . 1 1 14 14 PRO HG3 H 1 1.978 0.010 . 2 . . . . 14 P HG3 . 17833 1
134 . 1 1 14 14 PRO HD2 H 1 3.624 0.010 . 2 . . . . 14 P HD2 . 17833 1
135 . 1 1 14 14 PRO HD3 H 1 3.607 0.016 . 2 . . . . 14 P HD3 . 17833 1
136 . 1 1 14 14 PRO C C 13 176.194 0.006 . 1 . . . . 14 P C . 17833 1
137 . 1 1 14 14 PRO CA C 13 61.796 0.067 . 1 . . . . 14 P CA . 17833 1
138 . 1 1 14 14 PRO CB C 13 34.094 0.152 . 1 . . . . 14 P CB . 17833 1
139 . 1 1 14 14 PRO CG C 13 25.295 0.161 . 1 . . . . 14 P CG . 17833 1
140 . 1 1 14 14 PRO CD C 13 50.517 0.180 . 1 . . . . 14 P CD . 17833 1
141 . 1 1 15 15 VAL H H 1 9.380 0.007 . 1 . . . . 15 V H . 17833 1
142 . 1 1 15 15 VAL HA H 1 4.107 0.005 . 1 . . . . 15 V HA . 17833 1
143 . 1 1 15 15 VAL HB H 1 1.981 0.006 . 1 . . . . 15 V HB . 17833 1
144 . 1 1 15 15 VAL HG11 H 1 0.990 0.009 . 2 . . . . 15 V MG1 . 17833 1
145 . 1 1 15 15 VAL HG12 H 1 0.990 0.009 . 2 . . . . 15 V MG1 . 17833 1
146 . 1 1 15 15 VAL HG13 H 1 0.990 0.009 . 2 . . . . 15 V MG1 . 17833 1
147 . 1 1 15 15 VAL HG21 H 1 0.916 0.007 . 2 . . . . 15 V MG2 . 17833 1
148 . 1 1 15 15 VAL HG22 H 1 0.916 0.007 . 2 . . . . 15 V MG2 . 17833 1
149 . 1 1 15 15 VAL HG23 H 1 0.916 0.007 . 2 . . . . 15 V MG2 . 17833 1
150 . 1 1 15 15 VAL C C 13 174.272 0.005 . 1 . . . . 15 V C . 17833 1
151 . 1 1 15 15 VAL CA C 13 62.649 0.128 . 1 . . . . 15 V CA . 17833 1
152 . 1 1 15 15 VAL CB C 13 33.057 0.163 . 1 . . . . 15 V CB . 17833 1
153 . 1 1 15 15 VAL CG1 C 13 22.496 0.154 . 2 . . . . 15 V CG1 . 17833 1
154 . 1 1 15 15 VAL CG2 C 13 21.097 0.247 . 2 . . . . 15 V CG2 . 17833 1
155 . 1 1 15 15 VAL N N 15 128.238 0.041 . 1 . . . . 15 V N . 17833 1
156 . 1 1 16 16 LEU H H 1 8.451 0.002 . 1 . . . . 16 L H . 17833 1
157 . 1 1 16 16 LEU HA H 1 5.293 0.004 . 1 . . . . 16 L HA . 17833 1
158 . 1 1 16 16 LEU HB2 H 1 1.690 0.005 . 2 . . . . 16 L HB2 . 17833 1
159 . 1 1 16 16 LEU HB3 H 1 1.464 0.004 . 2 . . . . 16 L HB3 . 17833 1
160 . 1 1 16 16 LEU HG H 1 1.696 0.005 . 1 . . . . 16 L HG . 17833 1
161 . 1 1 16 16 LEU HD11 H 1 0.891 0.007 . 2 . . . . 16 L HD1 . 17833 1
162 . 1 1 16 16 LEU HD12 H 1 0.891 0.007 . 2 . . . . 16 L HD1 . 17833 1
163 . 1 1 16 16 LEU HD13 H 1 0.891 0.007 . 2 . . . . 16 L HD1 . 17833 1
164 . 1 1 16 16 LEU HD21 H 1 0.801 0.005 . 2 . . . . 16 L HD2 . 17833 1
165 . 1 1 16 16 LEU HD22 H 1 0.801 0.005 . 2 . . . . 16 L HD2 . 17833 1
166 . 1 1 16 16 LEU HD23 H 1 0.801 0.005 . 2 . . . . 16 L HD2 . 17833 1
167 . 1 1 16 16 LEU C C 13 176.975 0.000 . 1 . . . . 16 L C . 17833 1
168 . 1 1 16 16 LEU CA C 13 53.910 0.134 . 1 . . . . 16 L CA . 17833 1
169 . 1 1 16 16 LEU CB C 13 42.106 0.194 . 1 . . . . 16 L CB . 17833 1
170 . 1 1 16 16 LEU CG C 13 27.777 0.192 . 1 . . . . 16 L CG . 17833 1
171 . 1 1 16 16 LEU CD1 C 13 25.035 0.187 . 2 . . . . 16 L CD1 . 17833 1
172 . 1 1 16 16 LEU CD2 C 13 23.859 0.184 . 2 . . . . 16 L CD2 . 17833 1
173 . 1 1 16 16 LEU N N 15 128.168 0.048 . 1 . . . . 16 L N . 17833 1
174 . 1 1 17 17 ALA H H 1 8.542 0.003 . 1 . . . . 17 A H . 17833 1
175 . 1 1 17 17 ALA HA H 1 4.714 0.007 . 1 . . . . 17 A HA . 17833 1
176 . 1 1 17 17 ALA HB1 H 1 1.235 0.005 . 1 . . . . 17 A MB . 17833 1
177 . 1 1 17 17 ALA HB2 H 1 1.235 0.005 . 1 . . . . 17 A MB . 17833 1
178 . 1 1 17 17 ALA HB3 H 1 1.235 0.005 . 1 . . . . 17 A MB . 17833 1
179 . 1 1 17 17 ALA C C 13 175.281 0.002 . 1 . . . . 17 A C . 17833 1
180 . 1 1 17 17 ALA CA C 13 50.578 0.119 . 1 . . . . 17 A CA . 17833 1
181 . 1 1 17 17 ALA CB C 13 22.707 0.112 . 1 . . . . 17 A CB . 17833 1
182 . 1 1 17 17 ALA N N 15 125.626 0.044 . 1 . . . . 17 A N . 17833 1
183 . 1 1 18 18 SER H H 1 8.387 0.002 . 1 . . . . 18 S H . 17833 1
184 . 1 1 18 18 SER HA H 1 5.019 0.015 . 1 . . . . 18 S HA . 17833 1
185 . 1 1 18 18 SER HB2 H 1 3.824 0.004 . 2 . . . . 18 S HB2 . 17833 1
186 . 1 1 18 18 SER HB3 H 1 3.618 0.006 . 2 . . . . 18 S HB3 . 17833 1
187 . 1 1 18 18 SER C C 13 174.152 0.003 . 1 . . . . 18 S C . 17833 1
188 . 1 1 18 18 SER CA C 13 57.171 0.060 . 1 . . . . 18 S CA . 17833 1
189 . 1 1 18 18 SER CB C 13 64.891 0.254 . 1 . . . . 18 S CB . 17833 1
190 . 1 1 18 18 SER N N 15 116.146 0.052 . 1 . . . . 18 S N . 17833 1
191 . 1 1 19 19 LEU H H 1 8.518 0.005 . 1 . . . . 19 L H . 17833 1
192 . 1 1 19 19 LEU HA H 1 3.693 0.008 . 1 . . . . 19 L HA . 17833 1
193 . 1 1 19 19 LEU HB2 H 1 1.558 0.006 . 2 . . . . 19 L HB2 . 17833 1
194 . 1 1 19 19 LEU HB3 H 1 1.558 0.006 . 2 . . . . 19 L HB3 . 17833 1
195 . 1 1 19 19 LEU HG H 1 1.613 0.007 . 1 . . . . 19 L HG . 17833 1
196 . 1 1 19 19 LEU HD11 H 1 0.957 0.006 . 2 . . . . 19 L HD1 . 17833 1
197 . 1 1 19 19 LEU HD12 H 1 0.957 0.006 . 2 . . . . 19 L HD1 . 17833 1
198 . 1 1 19 19 LEU HD13 H 1 0.957 0.006 . 2 . . . . 19 L HD1 . 17833 1
199 . 1 1 19 19 LEU HD21 H 1 0.864 0.010 . 2 . . . . 19 L HD2 . 17833 1
200 . 1 1 19 19 LEU HD22 H 1 0.864 0.010 . 2 . . . . 19 L HD2 . 17833 1
201 . 1 1 19 19 LEU HD23 H 1 0.864 0.010 . 2 . . . . 19 L HD2 . 17833 1
202 . 1 1 19 19 LEU C C 13 178.516 0.006 . 1 . . . . 19 L C . 17833 1
203 . 1 1 19 19 LEU CA C 13 57.008 0.104 . 1 . . . . 19 L CA . 17833 1
204 . 1 1 19 19 LEU CB C 13 42.157 0.162 . 1 . . . . 19 L CB . 17833 1
205 . 1 1 19 19 LEU CG C 13 26.867 0.198 . 1 . . . . 19 L CG . 17833 1
206 . 1 1 19 19 LEU CD1 C 13 25.180 0.292 . 2 . . . . 19 L CD1 . 17833 1
207 . 1 1 19 19 LEU CD2 C 13 25.077 0.158 . 2 . . . . 19 L CD2 . 17833 1
208 . 1 1 19 19 LEU N N 15 124.665 0.050 . 1 . . . . 19 L N . 17833 1
209 . 1 1 20 20 GLY H H 1 9.215 0.004 . 1 . . . . 20 G H . 17833 1
210 . 1 1 20 20 GLY HA2 H 1 4.267 0.003 . 2 . . . . 20 G HA2 . 17833 1
211 . 1 1 20 20 GLY HA3 H 1 3.899 0.007 . 2 . . . . 20 G HA3 . 17833 1
212 . 1 1 20 20 GLY C C 13 174.719 0.019 . 1 . . . . 20 G C . 17833 1
213 . 1 1 20 20 GLY CA C 13 45.403 0.123 . 1 . . . . 20 G CA . 17833 1
214 . 1 1 20 20 GLY N N 15 115.680 0.038 . 1 . . . . 20 G N . 17833 1
215 . 1 1 21 21 GLY H H 1 8.304 0.005 . 1 . . . . 21 G H . 17833 1
216 . 1 1 21 21 GLY HA2 H 1 4.420 0.004 . 2 . . . . 21 G HA2 . 17833 1
217 . 1 1 21 21 GLY HA3 H 1 3.733 0.003 . 2 . . . . 21 G HA3 . 17833 1
218 . 1 1 21 21 GLY C C 13 171.409 0.000 . 1 . . . . 21 G C . 17833 1
219 . 1 1 21 21 GLY CA C 13 44.012 0.112 . 1 . . . . 21 G CA . 17833 1
220 . 1 1 21 21 GLY N N 15 109.827 0.065 . 1 . . . . 21 G N . 17833 1
221 . 1 1 22 22 ASN H H 1 8.390 0.003 . 1 . . . . 22 N H . 17833 1
222 . 1 1 22 22 ASN HA H 1 5.645 0.005 . 1 . . . . 22 N HA . 17833 1
223 . 1 1 22 22 ASN HB2 H 1 2.661 0.003 . 2 . . . . 22 N HB2 . 17833 1
224 . 1 1 22 22 ASN HB3 H 1 2.383 0.005 . 2 . . . . 22 N HB3 . 17833 1
225 . 1 1 22 22 ASN C C 13 174.815 0.008 . 1 . . . . 22 N C . 17833 1
226 . 1 1 22 22 ASN CA C 13 51.313 0.119 . 1 . . . . 22 N CA . 17833 1
227 . 1 1 22 22 ASN CB C 13 40.066 0.186 . 1 . . . . 22 N CB . 17833 1
228 . 1 1 22 22 ASN N N 15 115.634 0.039 . 1 . . . . 22 N N . 17833 1
229 . 1 1 23 23 LEU H H 1 8.910 0.002 . 1 . . . . 23 L H . 17833 1
230 . 1 1 23 23 LEU HA H 1 4.532 0.009 . 1 . . . . 23 L HA . 17833 1
231 . 1 1 23 23 LEU HB2 H 1 1.249 0.150 . 2 . . . . 23 L HB2 . 17833 1
232 . 1 1 23 23 LEU HB3 H 1 1.104 0.017 . 2 . . . . 23 L HB3 . 17833 1
233 . 1 1 23 23 LEU HD11 H 1 0.663 0.005 . 2 . . . . 23 L HD1 . 17833 1
234 . 1 1 23 23 LEU HD12 H 1 0.663 0.005 . 2 . . . . 23 L HD1 . 17833 1
235 . 1 1 23 23 LEU HD13 H 1 0.663 0.005 . 2 . . . . 23 L HD1 . 17833 1
236 . 1 1 23 23 LEU HD21 H 1 0.517 0.008 . 2 . . . . 23 L HD2 . 17833 1
237 . 1 1 23 23 LEU HD22 H 1 0.517 0.008 . 2 . . . . 23 L HD2 . 17833 1
238 . 1 1 23 23 LEU HD23 H 1 0.517 0.008 . 2 . . . . 23 L HD2 . 17833 1
239 . 1 1 23 23 LEU C C 13 174.204 0.005 . 1 . . . . 23 L C . 17833 1
240 . 1 1 23 23 LEU CA C 13 53.560 0.129 . 1 . . . . 23 L CA . 17833 1
241 . 1 1 23 23 LEU CB C 13 46.604 0.175 . 1 . . . . 23 L CB . 17833 1
242 . 1 1 23 23 LEU CD1 C 13 24.106 0.161 . 2 . . . . 23 L CD1 . 17833 1
243 . 1 1 23 23 LEU CD2 C 13 26.841 0.195 . 2 . . . . 23 L CD2 . 17833 1
244 . 1 1 23 23 LEU N N 15 124.244 0.049 . 1 . . . . 23 L N . 17833 1
245 . 1 1 24 24 GLU H H 1 8.160 0.005 . 1 . . . . 24 E H . 17833 1
246 . 1 1 24 24 GLU HA H 1 5.182 0.006 . 1 . . . . 24 E HA . 17833 1
247 . 1 1 24 24 GLU HB2 H 1 1.725 0.007 . 2 . . . . 24 E HB2 . 17833 1
248 . 1 1 24 24 GLU HB3 H 1 1.565 0.008 . 2 . . . . 24 E HB3 . 17833 1
249 . 1 1 24 24 GLU HG2 H 1 2.052 0.008 . 2 . . . . 24 E HG2 . 17833 1
250 . 1 1 24 24 GLU HG3 H 1 1.802 0.010 . 2 . . . . 24 E HG3 . 17833 1
251 . 1 1 24 24 GLU C C 13 174.817 0.001 . 1 . . . . 24 E C . 17833 1
252 . 1 1 24 24 GLU CA C 13 54.680 0.120 . 1 . . . . 24 E CA . 17833 1
253 . 1 1 24 24 GLU CB C 13 32.012 0.172 . 1 . . . . 24 E CB . 17833 1
254 . 1 1 24 24 GLU CG C 13 37.136 0.266 . 1 . . . . 24 E CG . 17833 1
255 . 1 1 24 24 GLU N N 15 123.928 0.048 . 1 . . . . 24 E N . 17833 1
256 . 1 1 25 25 LEU H H 1 8.724 0.003 . 1 . . . . 25 L H . 17833 1
257 . 1 1 25 25 LEU C C 13 174.922 0.046 . 1 . . . . 25 L C . 17833 1
258 . 1 1 25 25 LEU CA C 13 53.058 0.070 . 1 . . . . 25 L CA . 17833 1
259 . 1 1 25 25 LEU CB C 13 46.764 0.137 . 1 . . . . 25 L CB . 17833 1
260 . 1 1 25 25 LEU N N 15 122.855 0.044 . 1 . . . . 25 L N . 17833 1
261 . 1 1 26 26 SER H H 1 7.880 0.006 . 1 . . . . 26 S H . 17833 1
262 . 1 1 26 26 SER HA H 1 5.729 0.006 . 1 . . . . 26 S HA . 17833 1
263 . 1 1 26 26 SER HB2 H 1 3.820 0.006 . 2 . . . . 26 S HB2 . 17833 1
264 . 1 1 26 26 SER HB3 H 1 3.695 0.007 . 2 . . . . 26 S HB3 . 17833 1
265 . 1 1 26 26 SER C C 13 173.745 0.007 . 1 . . . . 26 S C . 17833 1
266 . 1 1 26 26 SER CA C 13 57.254 0.143 . 1 . . . . 26 S CA . 17833 1
267 . 1 1 26 26 SER CB C 13 65.942 0.203 . 1 . . . . 26 S CB . 17833 1
268 . 1 1 26 26 SER N N 15 114.270 0.077 . 1 . . . . 26 S N . 17833 1
269 . 1 1 27 27 CYS H H 1 8.752 0.003 . 1 . . . . 27 C H . 17833 1
270 . 1 1 27 27 CYS HA H 1 5.270 0.011 . 1 . . . . 27 C HA . 17833 1
271 . 1 1 27 27 CYS HB2 H 1 3.075 0.007 . 2 . . . . 27 C HB2 . 17833 1
272 . 1 1 27 27 CYS HB3 H 1 3.078 0.009 . 2 . . . . 27 C HB3 . 17833 1
273 . 1 1 27 27 CYS C C 13 172.439 0.019 . 1 . . . . 27 C C . 17833 1
274 . 1 1 27 27 CYS CA C 13 55.149 0.117 . 1 . . . . 27 C CA . 17833 1
275 . 1 1 27 27 CYS CB C 13 50.611 0.167 . 1 . . . . 27 C CB . 17833 1
276 . 1 1 27 27 CYS N N 15 120.011 0.040 . 1 . . . . 27 C N . 17833 1
277 . 1 1 28 28 GLN H H 1 8.917 0.008 . 1 . . . . 28 Q H . 17833 1
278 . 1 1 28 28 GLN HA H 1 5.560 0.009 . 1 . . . . 28 Q HA . 17833 1
279 . 1 1 28 28 GLN HB2 H 1 1.998 0.013 . 2 . . . . 28 Q HB2 . 17833 1
280 . 1 1 28 28 GLN HB3 H 1 1.897 0.007 . 2 . . . . 28 Q HB3 . 17833 1
281 . 1 1 28 28 GLN HG2 H 1 2.161 0.005 . 2 . . . . 28 Q HG2 . 17833 1
282 . 1 1 28 28 GLN HG3 H 1 1.979 0.006 . 2 . . . . 28 Q HG3 . 17833 1
283 . 1 1 28 28 GLN C C 13 174.037 0.003 . 1 . . . . 28 Q C . 17833 1
284 . 1 1 28 28 GLN CA C 13 53.649 0.100 . 1 . . . . 28 Q CA . 17833 1
285 . 1 1 28 28 GLN CB C 13 31.930 0.225 . 1 . . . . 28 Q CB . 17833 1
286 . 1 1 28 28 GLN CG C 13 32.974 0.175 . 1 . . . . 28 Q CG . 17833 1
287 . 1 1 28 28 GLN N N 15 117.609 0.035 . 1 . . . . 28 Q N . 17833 1
288 . 1 1 29 29 LEU H H 1 8.013 0.006 . 1 . . . . 29 L H . 17833 1
289 . 1 1 29 29 LEU HA H 1 4.388 0.011 . 1 . . . . 29 L HA . 17833 1
290 . 1 1 29 29 LEU HB2 H 1 1.440 0.007 . 2 . . . . 29 L HB2 . 17833 1
291 . 1 1 29 29 LEU HB3 H 1 0.909 0.006 . 2 . . . . 29 L HB3 . 17833 1
292 . 1 1 29 29 LEU HG H 1 1.067 0.007 . 1 . . . . 29 L HG . 17833 1
293 . 1 1 29 29 LEU HD11 H 1 -0.594 0.007 . 2 . . . . 29 L HD1 . 17833 1
294 . 1 1 29 29 LEU HD12 H 1 -0.594 0.007 . 2 . . . . 29 L HD1 . 17833 1
295 . 1 1 29 29 LEU HD13 H 1 -0.594 0.007 . 2 . . . . 29 L HD1 . 17833 1
296 . 1 1 29 29 LEU HD21 H 1 0.179 0.005 . 2 . . . . 29 L HD2 . 17833 1
297 . 1 1 29 29 LEU HD22 H 1 0.179 0.005 . 2 . . . . 29 L HD2 . 17833 1
298 . 1 1 29 29 LEU HD23 H 1 0.179 0.005 . 2 . . . . 29 L HD2 . 17833 1
299 . 1 1 29 29 LEU C C 13 177.793 0.009 . 1 . . . . 29 L C . 17833 1
300 . 1 1 29 29 LEU CA C 13 54.621 0.153 . 1 . . . . 29 L CA . 17833 1
301 . 1 1 29 29 LEU CB C 13 44.537 0.179 . 1 . . . . 29 L CB . 17833 1
302 . 1 1 29 29 LEU CG C 13 25.523 0.188 . 1 . . . . 29 L CG . 17833 1
303 . 1 1 29 29 LEU CD1 C 13 23.008 0.189 . 2 . . . . 29 L CD1 . 17833 1
304 . 1 1 29 29 LEU CD2 C 13 26.250 0.150 . 2 . . . . 29 L CD2 . 17833 1
305 . 1 1 29 29 LEU N N 15 122.252 0.081 . 1 . . . . 29 L N . 17833 1
306 . 1 1 30 30 SER H H 1 8.525 0.004 . 1 . . . . 30 S H . 17833 1
307 . 1 1 30 30 SER HA H 1 4.485 0.005 . 1 . . . . 30 S HA . 17833 1
308 . 1 1 30 30 SER HB2 H 1 3.625 0.005 . 2 . . . . 30 S HB2 . 17833 1
309 . 1 1 30 30 SER HB3 H 1 3.487 0.005 . 2 . . . . 30 S HB3 . 17833 1
310 . 1 1 30 30 SER C C 13 173.157 0.000 . 1 . . . . 30 S C . 17833 1
311 . 1 1 30 30 SER CA C 13 54.859 0.166 . 1 . . . . 30 S CA . 17833 1
312 . 1 1 30 30 SER CB C 13 64.722 0.146 . 1 . . . . 30 S CB . 17833 1
313 . 1 1 30 30 SER N N 15 114.995 0.050 . 1 . . . . 30 S N . 17833 1
314 . 1 1 31 31 PRO HA H 1 4.116 0.001 . 1 . . . . 31 P HA . 17833 1
315 . 1 1 31 31 PRO HB2 H 1 2.333 0.005 . 2 . . . . 31 P HB2 . 17833 1
316 . 1 1 31 31 PRO HB3 H 1 2.050 0.007 . 2 . . . . 31 P HB3 . 17833 1
317 . 1 1 31 31 PRO HG2 H 1 1.993 0.003 . 2 . . . . 31 P HG2 . 17833 1
318 . 1 1 31 31 PRO HG3 H 1 1.993 0.005 . 2 . . . . 31 P HG3 . 17833 1
319 . 1 1 31 31 PRO HD2 H 1 3.410 0.004 . 2 . . . . 31 P HD2 . 17833 1
320 . 1 1 31 31 PRO HD3 H 1 3.324 0.001 . 2 . . . . 31 P HD3 . 17833 1
321 . 1 1 31 31 PRO CA C 13 64.105 0.059 . 1 . . . . 31 P CA . 17833 1
322 . 1 1 31 31 PRO CB C 13 31.709 0.027 . 1 . . . . 31 P CB . 17833 1
323 . 1 1 31 31 PRO CG C 13 26.456 0.038 . 1 . . . . 31 P CG . 17833 1
324 . 1 1 31 31 PRO CD C 13 48.945 0.045 . 1 . . . . 31 P CD . 17833 1
325 . 1 1 32 32 PRO HA H 1 4.066 0.007 . 1 . . . . 32 P HA . 17833 1
326 . 1 1 32 32 PRO HB2 H 1 2.483 0.011 . 2 . . . . 32 P HB2 . 17833 1
327 . 1 1 32 32 PRO HB3 H 1 1.952 0.009 . 2 . . . . 32 P HB3 . 17833 1
328 . 1 1 32 32 PRO HG2 H 1 2.067 0.011 . 2 . . . . 32 P HG2 . 17833 1
329 . 1 1 32 32 PRO HG3 H 1 2.137 0.007 . 2 . . . . 32 P HG3 . 17833 1
330 . 1 1 32 32 PRO HD2 H 1 3.881 0.007 . 2 . . . . 32 P HD2 . 17833 1
331 . 1 1 32 32 PRO HD3 H 1 3.645 0.007 . 2 . . . . 32 P HD3 . 17833 1
332 . 1 1 32 32 PRO C C 13 176.211 0.004 . 1 . . . . 32 P C . 17833 1
333 . 1 1 32 32 PRO CA C 13 64.321 0.126 . 1 . . . . 32 P CA . 17833 1
334 . 1 1 32 32 PRO CB C 13 32.196 0.149 . 1 . . . . 32 P CB . 17833 1
335 . 1 1 32 32 PRO CG C 13 27.879 0.234 . 1 . . . . 32 P CG . 17833 1
336 . 1 1 32 32 PRO CD C 13 50.603 0.141 . 1 . . . . 32 P CD . 17833 1
337 . 1 1 33 33 GLN H H 1 6.800 0.004 . 1 . . . . 33 Q H . 17833 1
338 . 1 1 33 33 GLN HA H 1 4.561 0.012 . 1 . . . . 33 Q HA . 17833 1
339 . 1 1 33 33 GLN HB2 H 1 2.188 0.019 . 2 . . . . 33 Q HB2 . 17833 1
340 . 1 1 33 33 GLN HB3 H 1 2.197 0.010 . 2 . . . . 33 Q HB3 . 17833 1
341 . 1 1 33 33 GLN HG2 H 1 2.083 0.011 . 2 . . . . 33 Q HG2 . 17833 1
342 . 1 1 33 33 GLN HG3 H 1 2.264 0.006 . 2 . . . . 33 Q HG3 . 17833 1
343 . 1 1 33 33 GLN C C 13 172.169 0.001 . 1 . . . . 33 Q C . 17833 1
344 . 1 1 33 33 GLN CA C 13 54.158 0.140 . 1 . . . . 33 Q CA . 17833 1
345 . 1 1 33 33 GLN CB C 13 31.789 0.028 . 1 . . . . 33 Q CB . 17833 1
346 . 1 1 33 33 GLN CG C 13 33.332 0.000 . 1 . . . . 33 Q CG . 17833 1
347 . 1 1 33 33 GLN N N 15 115.404 0.053 . 1 . . . . 33 Q N . 17833 1
348 . 1 1 34 34 GLN H H 1 8.276 0.002 . 1 . . . . 34 Q H . 17833 1
349 . 1 1 34 34 GLN HA H 1 4.093 0.005 . 1 . . . . 34 Q HA . 17833 1
350 . 1 1 34 34 GLN HB2 H 1 2.319 0.011 . 2 . . . . 34 Q HB2 . 17833 1
351 . 1 1 34 34 GLN HB3 H 1 2.189 0.011 . 2 . . . . 34 Q HB3 . 17833 1
352 . 1 1 34 34 GLN HG2 H 1 2.761 0.006 . 2 . . . . 34 Q HG2 . 17833 1
353 . 1 1 34 34 GLN HG3 H 1 2.487 0.008 . 2 . . . . 34 Q HG3 . 17833 1
354 . 1 1 34 34 GLN C C 13 177.214 0.003 . 1 . . . . 34 Q C . 17833 1
355 . 1 1 34 34 GLN CA C 13 57.420 0.110 . 1 . . . . 34 Q CA . 17833 1
356 . 1 1 34 34 GLN CB C 13 30.289 0.108 . 1 . . . . 34 Q CB . 17833 1
357 . 1 1 34 34 GLN CG C 13 34.629 0.129 . 1 . . . . 34 Q CG . 17833 1
358 . 1 1 34 34 GLN N N 15 117.706 0.069 . 1 . . . . 34 Q N . 17833 1
359 . 1 1 35 35 ALA H H 1 7.934 0.002 . 1 . . . . 35 A H . 17833 1
360 . 1 1 35 35 ALA HA H 1 4.819 0.009 . 1 . . . . 35 A HA . 17833 1
361 . 1 1 35 35 ALA HB1 H 1 1.526 0.004 . 1 . . . . 35 A MB . 17833 1
362 . 1 1 35 35 ALA HB2 H 1 1.526 0.004 . 1 . . . . 35 A MB . 17833 1
363 . 1 1 35 35 ALA HB3 H 1 1.526 0.004 . 1 . . . . 35 A MB . 17833 1
364 . 1 1 35 35 ALA C C 13 178.364 0.003 . 1 . . . . 35 A C . 17833 1
365 . 1 1 35 35 ALA CA C 13 51.042 0.088 . 1 . . . . 35 A CA . 17833 1
366 . 1 1 35 35 ALA CB C 13 21.096 0.072 . 1 . . . . 35 A CB . 17833 1
367 . 1 1 35 35 ALA N N 15 123.945 0.062 . 1 . . . . 35 A N . 17833 1
368 . 1 1 36 36 GLN H H 1 9.649 0.016 . 1 . . . . 36 Q H . 17833 1
369 . 1 1 36 36 GLN C C 13 177.562 0.000 . 1 . . . . 36 Q C . 17833 1
370 . 1 1 36 36 GLN CA C 13 59.440 0.045 . 1 . . . . 36 Q CA . 17833 1
371 . 1 1 36 36 GLN CB C 13 27.827 0.000 . 1 . . . . 36 Q CB . 17833 1
372 . 1 1 36 36 GLN N N 15 119.964 0.073 . 1 . . . . 36 Q N . 17833 1
373 . 1 1 37 37 HIS HA H 1 4.958 0.033 . 1 . . . . 37 H HA . 17833 1
374 . 1 1 37 37 HIS HB2 H 1 3.265 0.017 . 2 . . . . 37 H HB2 . 17833 1
375 . 1 1 37 37 HIS HB3 H 1 3.030 0.044 . 2 . . . . 37 H HB3 . 17833 1
376 . 1 1 37 37 HIS C C 13 175.476 0.005 . 1 . . . . 37 H C . 17833 1
377 . 1 1 37 37 HIS CA C 13 56.559 0.109 . 1 . . . . 37 H CA . 17833 1
378 . 1 1 37 37 HIS CB C 13 30.203 0.105 . 1 . . . . 37 H CB . 17833 1
379 . 1 1 38 38 MET H H 1 7.480 0.005 . 1 . . . . 38 M H . 17833 1
380 . 1 1 38 38 MET C C 13 174.450 0.004 . 1 . . . . 38 M C . 17833 1
381 . 1 1 38 38 MET CA C 13 57.412 0.055 . 1 . . . . 38 M CA . 17833 1
382 . 1 1 38 38 MET CB C 13 32.614 0.022 . 1 . . . . 38 M CB . 17833 1
383 . 1 1 38 38 MET N N 15 121.591 0.123 . 1 . . . . 38 M N . 17833 1
384 . 1 1 39 39 GLU H H 1 8.535 0.002 . 1 . . . . 39 E H . 17833 1
385 . 1 1 39 39 GLU HA H 1 5.324 0.006 . 1 . . . . 39 E HA . 17833 1
386 . 1 1 39 39 GLU HB2 H 1 2.088 0.004 . 2 . . . . 39 E HB2 . 17833 1
387 . 1 1 39 39 GLU HB3 H 1 2.164 0.005 . 2 . . . . 39 E HB3 . 17833 1
388 . 1 1 39 39 GLU HG2 H 1 1.975 0.007 . 2 . . . . 39 E HG2 . 17833 1
389 . 1 1 39 39 GLU HG3 H 1 2.358 0.006 . 2 . . . . 39 E HG3 . 17833 1
390 . 1 1 39 39 GLU C C 13 175.327 0.003 . 1 . . . . 39 E C . 17833 1
391 . 1 1 39 39 GLU CA C 13 54.909 0.122 . 1 . . . . 39 E CA . 17833 1
392 . 1 1 39 39 GLU CB C 13 31.962 0.141 . 1 . . . . 39 E CB . 17833 1
393 . 1 1 39 39 GLU CG C 13 37.979 0.201 . 1 . . . . 39 E CG . 17833 1
394 . 1 1 39 39 GLU N N 15 120.168 0.054 . 1 . . . . 39 E N . 17833 1
395 . 1 1 40 40 ILE H H 1 9.391 0.002 . 1 . . . . 40 I H . 17833 1
396 . 1 1 40 40 ILE HA H 1 4.955 0.006 . 1 . . . . 40 I HA . 17833 1
397 . 1 1 40 40 ILE HB H 1 1.477 0.004 . 1 . . . . 40 I HB . 17833 1
398 . 1 1 40 40 ILE HG12 H 1 0.364 0.004 . 2 . . . . 40 I HG12 . 17833 1
399 . 1 1 40 40 ILE HG13 H 1 0.364 0.003 . 2 . . . . 40 I HG13 . 17833 1
400 . 1 1 40 40 ILE HG21 H 1 0.071 0.005 . 2 . . . . 40 I HG2 . 17833 1
401 . 1 1 40 40 ILE HG22 H 1 0.071 0.005 . 2 . . . . 40 I HG2 . 17833 1
402 . 1 1 40 40 ILE HG23 H 1 0.071 0.005 . 2 . . . . 40 I HG2 . 17833 1
403 . 1 1 40 40 ILE HD11 H 1 0.177 0.005 . 2 . . . . 40 I HD1 . 17833 1
404 . 1 1 40 40 ILE HD12 H 1 0.177 0.005 . 2 . . . . 40 I HD1 . 17833 1
405 . 1 1 40 40 ILE HD13 H 1 0.177 0.005 . 2 . . . . 40 I HD1 . 17833 1
406 . 1 1 40 40 ILE C C 13 174.822 0.001 . 1 . . . . 40 I C . 17833 1
407 . 1 1 40 40 ILE CA C 13 60.119 0.110 . 1 . . . . 40 I CA . 17833 1
408 . 1 1 40 40 ILE CB C 13 40.679 0.175 . 1 . . . . 40 I CB . 17833 1
409 . 1 1 40 40 ILE CG1 C 13 26.228 0.135 . 1 . . . . 40 I CG1 . 17833 1
410 . 1 1 40 40 ILE CG2 C 13 15.902 0.139 . 1 . . . . 40 I CG2 . 17833 1
411 . 1 1 40 40 ILE CD1 C 13 14.749 0.157 . 1 . . . . 40 I CD1 . 17833 1
412 . 1 1 40 40 ILE N N 15 127.702 0.058 . 1 . . . . 40 I N . 17833 1
413 . 1 1 41 41 ARG H H 1 9.164 0.003 . 1 . . . . 41 R H . 17833 1
414 . 1 1 41 41 ARG HA H 1 5.243 0.007 . 1 . . . . 41 R HA . 17833 1
415 . 1 1 41 41 ARG HB2 H 1 1.628 0.009 . 2 . . . . 41 R HB2 . 17833 1
416 . 1 1 41 41 ARG HB3 H 1 1.766 0.008 . 2 . . . . 41 R HB3 . 17833 1
417 . 1 1 41 41 ARG HG2 H 1 1.449 0.009 . 2 . . . . 41 R HG2 . 17833 1
418 . 1 1 41 41 ARG HG3 H 1 1.413 0.032 . 2 . . . . 41 R HG3 . 17833 1
419 . 1 1 41 41 ARG HD2 H 1 2.955 0.007 . 2 . . . . 41 R HD2 . 17833 1
420 . 1 1 41 41 ARG HD3 H 1 2.955 0.006 . 2 . . . . 41 R HD3 . 17833 1
421 . 1 1 41 41 ARG C C 13 173.751 0.008 . 1 . . . . 41 R C . 17833 1
422 . 1 1 41 41 ARG CA C 13 54.262 0.088 . 1 . . . . 41 R CA . 17833 1
423 . 1 1 41 41 ARG CB C 13 36.036 0.112 . 1 . . . . 41 R CB . 17833 1
424 . 1 1 41 41 ARG CG C 13 28.331 0.223 . 1 . . . . 41 R CG . 17833 1
425 . 1 1 41 41 ARG CD C 13 42.914 0.216 . 1 . . . . 41 R CD . 17833 1
426 . 1 1 41 41 ARG N N 15 129.447 0.049 . 1 . . . . 41 R N . 17833 1
427 . 1 1 42 42 TRP H H 1 8.940 0.003 . 1 . . . . 42 W H . 17833 1
428 . 1 1 42 42 TRP HA H 1 6.096 0.003 . 1 . . . . 42 W HA . 17833 1
429 . 1 1 42 42 TRP HB2 H 1 2.921 0.010 . 2 . . . . 42 W HB2 . 17833 1
430 . 1 1 42 42 TRP HB3 H 1 2.924 0.012 . 2 . . . . 42 W HB3 . 17833 1
431 . 1 1 42 42 TRP C C 13 176.916 0.009 . 1 . . . . 42 W C . 17833 1
432 . 1 1 42 42 TRP CA C 13 54.551 0.118 . 1 . . . . 42 W CA . 17833 1
433 . 1 1 42 42 TRP CB C 13 31.744 0.167 . 1 . . . . 42 W CB . 17833 1
434 . 1 1 42 42 TRP N N 15 124.436 0.039 . 1 . . . . 42 W N . 17833 1
435 . 1 1 43 43 PHE H H 1 8.838 0.003 . 1 . . . . 43 F H . 17833 1
436 . 1 1 43 43 PHE HA H 1 5.131 0.008 . 1 . . . . 43 F HA . 17833 1
437 . 1 1 43 43 PHE HB2 H 1 3.089 0.005 . 2 . . . . 43 F HB2 . 17833 1
438 . 1 1 43 43 PHE HB3 H 1 2.723 0.011 . 2 . . . . 43 F HB3 . 17833 1
439 . 1 1 43 43 PHE C C 13 171.789 0.000 . 1 . . . . 43 F C . 17833 1
440 . 1 1 43 43 PHE CA C 13 56.626 0.131 . 1 . . . . 43 F CA . 17833 1
441 . 1 1 43 43 PHE CB C 13 41.320 0.169 . 1 . . . . 43 F CB . 17833 1
442 . 1 1 43 43 PHE N N 15 118.214 0.043 . 1 . . . . 43 F N . 17833 1
443 . 1 1 53 53 LEU HA H 1 5.114 0.005 . 1 . . . . 53 L HA . 17833 1
444 . 1 1 53 53 LEU HB2 H 1 1.576 0.007 . 2 . . . . 53 L HB2 . 17833 1
445 . 1 1 53 53 LEU HB3 H 1 1.112 0.006 . 2 . . . . 53 L HB3 . 17833 1
446 . 1 1 53 53 LEU HG H 1 1.244 0.004 . 1 . . . . 53 L HG . 17833 1
447 . 1 1 53 53 LEU HD11 H 1 0.862 0.006 . 2 . . . . 53 L HD1 . 17833 1
448 . 1 1 53 53 LEU HD12 H 1 0.862 0.006 . 2 . . . . 53 L HD1 . 17833 1
449 . 1 1 53 53 LEU HD13 H 1 0.862 0.006 . 2 . . . . 53 L HD1 . 17833 1
450 . 1 1 53 53 LEU HD21 H 1 0.739 0.006 . 2 . . . . 53 L HD2 . 17833 1
451 . 1 1 53 53 LEU HD22 H 1 0.739 0.006 . 2 . . . . 53 L HD2 . 17833 1
452 . 1 1 53 53 LEU HD23 H 1 0.739 0.006 . 2 . . . . 53 L HD2 . 17833 1
453 . 1 1 53 53 LEU C C 13 171.350 0.010 . 1 . . . . 53 L C . 17833 1
454 . 1 1 53 53 LEU CA C 13 54.969 0.127 . 1 . . . . 53 L CA . 17833 1
455 . 1 1 53 53 LEU CB C 13 45.971 0.163 . 1 . . . . 53 L CB . 17833 1
456 . 1 1 53 53 LEU CG C 13 27.863 0.261 . 1 . . . . 53 L CG . 17833 1
457 . 1 1 53 53 LEU CD1 C 13 24.050 0.259 . 2 . . . . 53 L CD1 . 17833 1
458 . 1 1 53 53 LEU CD2 C 13 26.153 0.154 . 2 . . . . 53 L CD2 . 17833 1
459 . 1 1 54 54 TYR H H 1 9.179 0.003 . 1 . . . . 54 Y H . 17833 1
460 . 1 1 54 54 TYR HA H 1 5.369 0.005 . 1 . . . . 54 Y HA . 17833 1
461 . 1 1 54 54 TYR HB2 H 1 3.031 0.010 . 2 . . . . 54 Y HB2 . 17833 1
462 . 1 1 54 54 TYR HB3 H 1 2.982 0.014 . 2 . . . . 54 Y HB3 . 17833 1
463 . 1 1 54 54 TYR C C 13 173.489 0.005 . 1 . . . . 54 Y C . 17833 1
464 . 1 1 54 54 TYR CA C 13 55.803 0.108 . 1 . . . . 54 Y CA . 17833 1
465 . 1 1 54 54 TYR CB C 13 42.258 0.201 . 1 . . . . 54 Y CB . 17833 1
466 . 1 1 54 54 TYR N N 15 131.200 0.073 . 1 . . . . 54 Y N . 17833 1
467 . 1 1 55 55 ARG H H 1 8.637 0.004 . 1 . . . . 55 R H . 17833 1
468 . 1 1 55 55 ARG HA H 1 4.491 0.014 . 1 . . . . 55 R HA . 17833 1
469 . 1 1 55 55 ARG HB2 H 1 1.681 0.006 . 2 . . . . 55 R HB2 . 17833 1
470 . 1 1 55 55 ARG HB3 H 1 1.609 0.007 . 2 . . . . 55 R HB3 . 17833 1
471 . 1 1 55 55 ARG HG2 H 1 1.432 0.008 . 2 . . . . 55 R HG2 . 17833 1
472 . 1 1 55 55 ARG HG3 H 1 1.494 0.005 . 2 . . . . 55 R HG3 . 17833 1
473 . 1 1 55 55 ARG HD2 H 1 3.200 0.003 . 2 . . . . 55 R HD2 . 17833 1
474 . 1 1 55 55 ARG HD3 H 1 3.199 0.003 . 2 . . . . 55 R HD3 . 17833 1
475 . 1 1 55 55 ARG C C 13 174.686 0.003 . 1 . . . . 55 R C . 17833 1
476 . 1 1 55 55 ARG CA C 13 56.085 0.111 . 1 . . . . 55 R CA . 17833 1
477 . 1 1 55 55 ARG CB C 13 33.585 0.163 . 1 . . . . 55 R CB . 17833 1
478 . 1 1 55 55 ARG CG C 13 27.669 0.279 . 1 . . . . 55 R CG . 17833 1
479 . 1 1 55 55 ARG CD C 13 43.902 0.173 . 1 . . . . 55 R CD . 17833 1
480 . 1 1 55 55 ARG N N 15 125.928 0.058 . 1 . . . . 55 R N . 17833 1
481 . 1 1 56 56 ASP H H 1 8.730 0.019 . 1 . . . . 56 D H . 17833 1
482 . 1 1 56 56 ASP HA H 1 4.456 0.017 . 1 . . . . 56 D HA . 17833 1
483 . 1 1 56 56 ASP HB2 H 1 2.857 0.004 . 2 . . . . 56 D HB2 . 17833 1
484 . 1 1 56 56 ASP HB3 H 1 2.415 0.013 . 2 . . . . 56 D HB3 . 17833 1
485 . 1 1 56 56 ASP C C 13 175.915 0.000 . 1 . . . . 56 D C . 17833 1
486 . 1 1 56 56 ASP CA C 13 55.259 0.082 . 1 . . . . 56 D CA . 17833 1
487 . 1 1 56 56 ASP CB C 13 40.033 0.138 . 1 . . . . 56 D CB . 17833 1
488 . 1 1 56 56 ASP N N 15 125.820 0.049 . 1 . . . . 56 D N . 17833 1
489 . 1 1 57 57 GLY HA2 H 1 4.123 0.015 . 2 . . . . 57 G HA2 . 17833 1
490 . 1 1 57 57 GLY HA3 H 1 3.780 0.004 . 2 . . . . 57 G HA3 . 17833 1
491 . 1 1 57 57 GLY C C 13 174.120 0.000 . 1 . . . . 57 G C . 17833 1
492 . 1 1 57 57 GLY CA C 13 45.282 0.120 . 1 . . . . 57 G CA . 17833 1
493 . 1 1 58 58 LYS H H 1 7.337 0.005 . 1 . . . . 58 K H . 17833 1
494 . 1 1 58 58 LYS HA H 1 4.699 0.007 . 1 . . . . 58 K HA . 17833 1
495 . 1 1 58 58 LYS HB2 H 1 1.698 0.007 . 2 . . . . 58 K HB2 . 17833 1
496 . 1 1 58 58 LYS HB3 H 1 1.697 0.009 . 2 . . . . 58 K HB3 . 17833 1
497 . 1 1 58 58 LYS HG2 H 1 1.361 0.006 . 2 . . . . 58 K HG2 . 17833 1
498 . 1 1 58 58 LYS HG3 H 1 1.362 0.009 . 2 . . . . 58 K HG3 . 17833 1
499 . 1 1 58 58 LYS HD2 H 1 1.701 0.009 . 2 . . . . 58 K HD2 . 17833 1
500 . 1 1 58 58 LYS HD3 H 1 1.702 0.009 . 2 . . . . 58 K HD3 . 17833 1
501 . 1 1 58 58 LYS HE2 H 1 3.043 0.009 . 2 . . . . 58 K HE2 . 17833 1
502 . 1 1 58 58 LYS HE3 H 1 3.051 0.053 . 2 . . . . 58 K HE3 . 17833 1
503 . 1 1 58 58 LYS C C 13 174.426 0.003 . 1 . . . . 58 K C . 17833 1
504 . 1 1 58 58 LYS CA C 13 54.575 0.083 . 1 . . . . 58 K CA . 17833 1
505 . 1 1 58 58 LYS CB C 13 35.939 0.103 . 1 . . . . 58 K CB . 17833 1
506 . 1 1 58 58 LYS CG C 13 24.014 0.099 . 1 . . . . 58 K CG . 17833 1
507 . 1 1 58 58 LYS CD C 13 29.076 0.156 . 1 . . . . 58 K CD . 17833 1
508 . 1 1 58 58 LYS CE C 13 42.139 0.048 . 1 . . . . 58 K CE . 17833 1
509 . 1 1 58 58 LYS N N 15 119.797 0.042 . 1 . . . . 58 K N . 17833 1
510 . 1 1 59 59 ASP H H 1 8.469 0.003 . 1 . . . . 59 D H . 17833 1
511 . 1 1 59 59 ASP HA H 1 4.879 0.004 . 1 . . . . 59 D HA . 17833 1
512 . 1 1 59 59 ASP HB2 H 1 2.486 0.007 . 2 . . . . 59 D HB2 . 17833 1
513 . 1 1 59 59 ASP HB3 H 1 1.808 0.010 . 2 . . . . 59 D HB3 . 17833 1
514 . 1 1 59 59 ASP C C 13 176.112 0.009 . 1 . . . . 59 D C . 17833 1
515 . 1 1 59 59 ASP CA C 13 54.844 0.104 . 1 . . . . 59 D CA . 17833 1
516 . 1 1 59 59 ASP CB C 13 42.131 0.187 . 1 . . . . 59 D CB . 17833 1
517 . 1 1 59 59 ASP N N 15 121.890 0.101 . 1 . . . . 59 D N . 17833 1
518 . 1 1 60 60 MET H H 1 8.658 0.006 . 1 . . . . 60 M H . 17833 1
519 . 1 1 60 60 MET C C 13 176.709 0.006 . 1 . . . . 60 M C . 17833 1
520 . 1 1 60 60 MET CA C 13 52.364 0.029 . 1 . . . . 60 M CA . 17833 1
521 . 1 1 60 60 MET CB C 13 29.617 0.051 . 1 . . . . 60 M CB . 17833 1
522 . 1 1 60 60 MET N N 15 125.112 0.055 . 1 . . . . 60 M N . 17833 1
523 . 1 1 61 61 PHE H H 1 7.621 0.003 . 1 . . . . 61 F H . 17833 1
524 . 1 1 61 61 PHE HA H 1 4.239 0.005 . 1 . . . . 61 F HA . 17833 1
525 . 1 1 61 61 PHE HB2 H 1 2.893 0.006 . 2 . . . . 61 F HB2 . 17833 1
526 . 1 1 61 61 PHE HB3 H 1 3.332 0.007 . 2 . . . . 61 F HB3 . 17833 1
527 . 1 1 61 61 PHE C C 13 177.771 0.000 . 1 . . . . 61 F C . 17833 1
528 . 1 1 61 61 PHE CA C 13 60.996 0.101 . 1 . . . . 61 F CA . 17833 1
529 . 1 1 61 61 PHE CB C 13 39.289 0.162 . 1 . . . . 61 F CB . 17833 1
530 . 1 1 61 61 PHE N N 15 119.670 0.053 . 1 . . . . 61 F N . 17833 1
531 . 1 1 62 62 GLY H H 1 8.961 0.005 . 1 . . . . 62 G H . 17833 1
532 . 1 1 62 62 GLY HA2 H 1 4.070 0.008 . 2 . . . . 62 G HA2 . 17833 1
533 . 1 1 62 62 GLY HA3 H 1 3.863 0.007 . 2 . . . . 62 G HA3 . 17833 1
534 . 1 1 62 62 GLY C C 13 174.746 0.013 . 1 . . . . 62 G C . 17833 1
535 . 1 1 62 62 GLY CA C 13 46.246 0.125 . 1 . . . . 62 G CA . 17833 1
536 . 1 1 62 62 GLY N N 15 106.550 0.018 . 1 . . . . 62 G N . 17833 1
537 . 1 1 63 63 GLU H H 1 7.647 0.006 . 1 . . . . 63 E H . 17833 1
538 . 1 1 63 63 GLU HA H 1 4.386 0.006 . 1 . . . . 63 E HA . 17833 1
539 . 1 1 63 63 GLU HB2 H 1 2.256 0.007 . 2 . . . . 63 E HB2 . 17833 1
540 . 1 1 63 63 GLU HB3 H 1 1.706 0.006 . 2 . . . . 63 E HB3 . 17833 1
541 . 1 1 63 63 GLU HG2 H 1 2.103 0.004 . 2 . . . . 63 E HG2 . 17833 1
542 . 1 1 63 63 GLU HG3 H 1 2.103 0.003 . 2 . . . . 63 E HG3 . 17833 1
543 . 1 1 63 63 GLU C C 13 175.623 0.005 . 1 . . . . 63 E C . 17833 1
544 . 1 1 63 63 GLU CA C 13 55.798 0.108 . 1 . . . . 63 E CA . 17833 1
545 . 1 1 63 63 GLU CB C 13 31.094 0.131 . 1 . . . . 63 E CB . 17833 1
546 . 1 1 63 63 GLU CG C 13 36.784 0.164 . 1 . . . . 63 E CG . 17833 1
547 . 1 1 63 63 GLU N N 15 117.433 0.047 . 1 . . . . 63 E N . 17833 1
548 . 1 1 64 64 ILE H H 1 6.983 0.006 . 1 . . . . 64 I H . 17833 1
549 . 1 1 64 64 ILE HA H 1 3.981 0.007 . 1 . . . . 64 I HA . 17833 1
550 . 1 1 64 64 ILE HB H 1 1.892 0.005 . 1 . . . . 64 I HB . 17833 1
551 . 1 1 64 64 ILE HG21 H 1 1.050 0.005 . 2 . . . . 64 I HG2 . 17833 1
552 . 1 1 64 64 ILE HG22 H 1 1.050 0.005 . 2 . . . . 64 I HG2 . 17833 1
553 . 1 1 64 64 ILE HG23 H 1 1.050 0.005 . 2 . . . . 64 I HG2 . 17833 1
554 . 1 1 64 64 ILE HD11 H 1 0.708 0.007 . 2 . . . . 64 I HD1 . 17833 1
555 . 1 1 64 64 ILE HD12 H 1 0.708 0.007 . 2 . . . . 64 I HD1 . 17833 1
556 . 1 1 64 64 ILE HD13 H 1 0.708 0.007 . 2 . . . . 64 I HD1 . 17833 1
557 . 1 1 64 64 ILE C C 13 176.241 0.004 . 1 . . . . 64 I C . 17833 1
558 . 1 1 64 64 ILE CA C 13 61.192 0.127 . 1 . . . . 64 I CA . 17833 1
559 . 1 1 64 64 ILE CB C 13 38.750 0.124 . 1 . . . . 64 I CB . 17833 1
560 . 1 1 64 64 ILE CG2 C 13 17.572 0.052 . 1 . . . . 64 I CG2 . 17833 1
561 . 1 1 64 64 ILE CD1 C 13 13.784 0.172 . 1 . . . . 64 I CD1 . 17833 1
562 . 1 1 64 64 ILE N N 15 118.681 0.077 . 1 . . . . 64 I N . 17833 1
563 . 1 1 65 65 ILE H H 1 7.777 0.004 . 1 . . . . 65 I H . 17833 1
564 . 1 1 65 65 ILE HA H 1 4.359 0.004 . 1 . . . . 65 I HA . 17833 1
565 . 1 1 65 65 ILE HB H 1 2.329 0.004 . 1 . . . . 65 I HB . 17833 1
566 . 1 1 65 65 ILE HG12 H 1 1.562 0.004 . 2 . . . . 65 I HG12 . 17833 1
567 . 1 1 65 65 ILE HG13 H 1 1.560 0.008 . 2 . . . . 65 I HG13 . 17833 1
568 . 1 1 65 65 ILE HG21 H 1 1.143 0.005 . 2 . . . . 65 I HG2 . 17833 1
569 . 1 1 65 65 ILE HG22 H 1 1.143 0.005 . 2 . . . . 65 I HG2 . 17833 1
570 . 1 1 65 65 ILE HG23 H 1 1.143 0.005 . 2 . . . . 65 I HG2 . 17833 1
571 . 1 1 65 65 ILE HD11 H 1 1.079 0.004 . 2 . . . . 65 I HD1 . 17833 1
572 . 1 1 65 65 ILE HD12 H 1 1.079 0.004 . 2 . . . . 65 I HD1 . 17833 1
573 . 1 1 65 65 ILE HD13 H 1 1.079 0.004 . 2 . . . . 65 I HD1 . 17833 1
574 . 1 1 65 65 ILE C C 13 178.218 0.000 . 1 . . . . 65 I C . 17833 1
575 . 1 1 65 65 ILE CA C 13 62.387 0.134 . 1 . . . . 65 I CA . 17833 1
576 . 1 1 65 65 ILE CB C 13 38.348 0.182 . 1 . . . . 65 I CB . 17833 1
577 . 1 1 65 65 ILE CG1 C 13 26.497 0.188 . 1 . . . . 65 I CG1 . 17833 1
578 . 1 1 65 65 ILE CG2 C 13 18.341 0.190 . 1 . . . . 65 I CG2 . 17833 1
579 . 1 1 65 65 ILE CD1 C 13 13.977 0.146 . 1 . . . . 65 I CD1 . 17833 1
580 . 1 1 65 65 ILE N N 15 120.573 0.038 . 1 . . . . 65 I N . 17833 1
581 . 1 1 66 66 SER HA H 1 4.179 0.006 . 1 . . . . 66 S HA . 17833 1
582 . 1 1 66 66 SER HB2 H 1 3.978 0.006 . 2 . . . . 66 S HB2 . 17833 1
583 . 1 1 66 66 SER HB3 H 1 3.975 0.006 . 2 . . . . 66 S HB3 . 17833 1
584 . 1 1 66 66 SER C C 13 176.531 0.000 . 1 . . . . 66 S C . 17833 1
585 . 1 1 66 66 SER CA C 13 62.149 0.116 . 1 . . . . 66 S CA . 17833 1
586 . 1 1 66 66 SER CB C 13 62.954 0.235 . 1 . . . . 66 S CB . 17833 1
587 . 1 1 67 67 LYS H H 1 7.938 0.004 . 1 . . . . 67 K H . 17833 1
588 . 1 1 67 67 LYS HA H 1 4.077 0.005 . 1 . . . . 67 K HA . 17833 1
589 . 1 1 67 67 LYS HB2 H 1 1.701 0.006 . 2 . . . . 67 K HB2 . 17833 1
590 . 1 1 67 67 LYS HB3 H 1 1.510 0.008 . 2 . . . . 67 K HB3 . 17833 1
591 . 1 1 67 67 LYS HG2 H 1 1.115 0.009 . 2 . . . . 67 K HG2 . 17833 1
592 . 1 1 67 67 LYS HG3 H 1 0.940 0.008 . 2 . . . . 67 K HG3 . 17833 1
593 . 1 1 67 67 LYS HD2 H 1 1.576 0.005 . 2 . . . . 67 K HD2 . 17833 1
594 . 1 1 67 67 LYS HD3 H 1 1.577 0.006 . 2 . . . . 67 K HD3 . 17833 1
595 . 1 1 67 67 LYS HE2 H 1 2.851 0.007 . 2 . . . . 67 K HE2 . 17833 1
596 . 1 1 67 67 LYS HE3 H 1 2.852 0.007 . 2 . . . . 67 K HE3 . 17833 1
597 . 1 1 67 67 LYS C C 13 176.344 0.005 . 1 . . . . 67 K C . 17833 1
598 . 1 1 67 67 LYS CA C 13 58.243 0.119 . 1 . . . . 67 K CA . 17833 1
599 . 1 1 67 67 LYS CB C 13 33.159 0.148 . 1 . . . . 67 K CB . 17833 1
600 . 1 1 67 67 LYS CG C 13 24.911 0.200 . 1 . . . . 67 K CG . 17833 1
601 . 1 1 67 67 LYS CD C 13 29.313 0.124 . 1 . . . . 67 K CD . 17833 1
602 . 1 1 67 67 LYS CE C 13 42.140 0.125 . 1 . . . . 67 K CE . 17833 1
603 . 1 1 67 67 LYS N N 15 118.813 0.059 . 1 . . . . 67 K N . 17833 1
604 . 1 1 68 68 TYR H H 1 8.174 0.004 . 1 . . . . 68 Y H . 17833 1
605 . 1 1 68 68 TYR HA H 1 4.510 0.006 . 1 . . . . 68 Y HA . 17833 1
606 . 1 1 68 68 TYR HB2 H 1 3.714 0.005 . 2 . . . . 68 Y HB2 . 17833 1
607 . 1 1 68 68 TYR HB3 H 1 3.715 0.005 . 2 . . . . 68 Y HB3 . 17833 1
608 . 1 1 68 68 TYR C C 13 176.334 0.000 . 1 . . . . 68 Y C . 17833 1
609 . 1 1 68 68 TYR CA C 13 60.042 0.135 . 1 . . . . 68 Y CA . 17833 1
610 . 1 1 68 68 TYR CB C 13 40.767 0.186 . 1 . . . . 68 Y CB . 17833 1
611 . 1 1 68 68 TYR N N 15 115.545 0.054 . 1 . . . . 68 Y N . 17833 1
612 . 1 1 70 70 GLU C C 13 176.882 0.000 . 1 . . . . 70 E C . 17833 1
613 . 1 1 70 70 GLU CA C 13 57.900 0.017 . 1 . . . . 70 E CA . 17833 1
614 . 1 1 71 71 ARG H H 1 7.991 0.002 . 1 . . . . 71 R H . 17833 1
615 . 1 1 71 71 ARG C C 13 174.276 0.000 . 1 . . . . 71 R C . 17833 1
616 . 1 1 71 71 ARG CA C 13 56.379 0.069 . 1 . . . . 71 R CA . 17833 1
617 . 1 1 71 71 ARG CB C 13 32.985 0.000 . 1 . . . . 71 R CB . 17833 1
618 . 1 1 71 71 ARG N N 15 115.975 0.033 . 1 . . . . 71 R N . 17833 1
619 . 1 1 72 72 THR H H 1 7.850 0.003 . 1 . . . . 72 T H . 17833 1
620 . 1 1 72 72 THR HA H 1 4.113 0.000 . 1 . . . . 72 T HA . 17833 1
621 . 1 1 72 72 THR HG21 H 1 1.481 0.006 . 2 . . . . 72 T HG2 . 17833 1
622 . 1 1 72 72 THR HG22 H 1 1.481 0.006 . 2 . . . . 72 T HG2 . 17833 1
623 . 1 1 72 72 THR HG23 H 1 1.481 0.006 . 2 . . . . 72 T HG2 . 17833 1
624 . 1 1 72 72 THR C C 13 174.567 0.009 . 1 . . . . 72 T C . 17833 1
625 . 1 1 72 72 THR CA C 13 59.501 0.020 . 1 . . . . 72 T CA . 17833 1
626 . 1 1 72 72 THR CB C 13 72.355 0.072 . 1 . . . . 72 T CB . 17833 1
627 . 1 1 72 72 THR CG2 C 13 22.862 0.000 . 1 . . . . 72 T CG2 . 17833 1
628 . 1 1 72 72 THR N N 15 108.543 0.036 . 1 . . . . 72 T N . 17833 1
629 . 1 1 73 73 GLU H H 1 8.631 0.003 . 1 . . . . 73 E H . 17833 1
630 . 1 1 73 73 GLU HA H 1 4.523 0.007 . 1 . . . . 73 E HA . 17833 1
631 . 1 1 73 73 GLU HB2 H 1 1.974 0.009 . 2 . . . . 73 E HB2 . 17833 1
632 . 1 1 73 73 GLU HB3 H 1 2.027 0.007 . 2 . . . . 73 E HB3 . 17833 1
633 . 1 1 73 73 GLU HG2 H 1 2.184 0.015 . 2 . . . . 73 E HG2 . 17833 1
634 . 1 1 73 73 GLU HG3 H 1 2.032 0.003 . 2 . . . . 73 E HG3 . 17833 1
635 . 1 1 73 73 GLU C C 13 172.590 0.001 . 1 . . . . 73 E C . 17833 1
636 . 1 1 73 73 GLU CA C 13 55.551 0.108 . 1 . . . . 73 E CA . 17833 1
637 . 1 1 73 73 GLU CB C 13 34.316 0.142 . 1 . . . . 73 E CB . 17833 1
638 . 1 1 73 73 GLU CG C 13 35.955 0.077 . 1 . . . . 73 E CG . 17833 1
639 . 1 1 73 73 GLU N N 15 119.671 0.043 . 1 . . . . 73 E N . 17833 1
640 . 1 1 74 74 LEU H H 1 8.904 0.007 . 1 . . . . 74 L H . 17833 1
641 . 1 1 74 74 LEU HA H 1 4.680 0.006 . 1 . . . . 74 L HA . 17833 1
642 . 1 1 74 74 LEU HB2 H 1 1.532 0.012 . 2 . . . . 74 L HB2 . 17833 1
643 . 1 1 74 74 LEU HB3 H 1 -0.194 0.007 . 2 . . . . 74 L HB3 . 17833 1
644 . 1 1 74 74 LEU HG H 1 0.937 0.006 . 1 . . . . 74 L HG . 17833 1
645 . 1 1 74 74 LEU HD11 H 1 0.625 0.006 . 2 . . . . 74 L HD1 . 17833 1
646 . 1 1 74 74 LEU HD12 H 1 0.625 0.006 . 2 . . . . 74 L HD1 . 17833 1
647 . 1 1 74 74 LEU HD13 H 1 0.625 0.006 . 2 . . . . 74 L HD1 . 17833 1
648 . 1 1 74 74 LEU HD21 H 1 0.560 0.006 . 2 . . . . 74 L HD2 . 17833 1
649 . 1 1 74 74 LEU HD22 H 1 0.560 0.006 . 2 . . . . 74 L HD2 . 17833 1
650 . 1 1 74 74 LEU HD23 H 1 0.560 0.006 . 2 . . . . 74 L HD2 . 17833 1
651 . 1 1 74 74 LEU C C 13 175.733 0.003 . 1 . . . . 74 L C . 17833 1
652 . 1 1 74 74 LEU CA C 13 52.621 0.125 . 1 . . . . 74 L CA . 17833 1
653 . 1 1 74 74 LEU CB C 13 43.722 0.176 . 1 . . . . 74 L CB . 17833 1
654 . 1 1 74 74 LEU CG C 13 26.956 0.244 . 1 . . . . 74 L CG . 17833 1
655 . 1 1 74 74 LEU CD1 C 13 26.080 0.151 . 2 . . . . 74 L CD1 . 17833 1
656 . 1 1 74 74 LEU CD2 C 13 24.213 0.208 . 2 . . . . 74 L CD2 . 17833 1
657 . 1 1 74 74 LEU N N 15 126.729 0.040 . 1 . . . . 74 L N . 17833 1
658 . 1 1 75 75 LEU H H 1 9.586 0.004 . 1 . . . . 75 L H . 17833 1
659 . 1 1 75 75 LEU HA H 1 4.502 0.007 . 1 . . . . 75 L HA . 17833 1
660 . 1 1 75 75 LEU HB2 H 1 1.723 0.007 . 2 . . . . 75 L HB2 . 17833 1
661 . 1 1 75 75 LEU HB3 H 1 1.791 0.008 . 2 . . . . 75 L HB3 . 17833 1
662 . 1 1 75 75 LEU HG H 1 1.518 0.006 . 1 . . . . 75 L HG . 17833 1
663 . 1 1 75 75 LEU HD11 H 1 0.742 0.006 . 2 . . . . 75 L HD1 . 17833 1
664 . 1 1 75 75 LEU HD12 H 1 0.742 0.006 . 2 . . . . 75 L HD1 . 17833 1
665 . 1 1 75 75 LEU HD13 H 1 0.742 0.006 . 2 . . . . 75 L HD1 . 17833 1
666 . 1 1 75 75 LEU HD21 H 1 0.737 0.004 . 2 . . . . 75 L HD2 . 17833 1
667 . 1 1 75 75 LEU HD22 H 1 0.737 0.004 . 2 . . . . 75 L HD2 . 17833 1
668 . 1 1 75 75 LEU HD23 H 1 0.737 0.004 . 2 . . . . 75 L HD2 . 17833 1
669 . 1 1 75 75 LEU C C 13 179.724 0.005 . 1 . . . . 75 L C . 17833 1
670 . 1 1 75 75 LEU CA C 13 55.600 0.115 . 1 . . . . 75 L CA . 17833 1
671 . 1 1 75 75 LEU CB C 13 40.636 0.170 . 1 . . . . 75 L CB . 17833 1
672 . 1 1 75 75 LEU CG C 13 27.436 0.175 . 1 . . . . 75 L CG . 17833 1
673 . 1 1 75 75 LEU CD1 C 13 23.173 0.183 . 2 . . . . 75 L CD1 . 17833 1
674 . 1 1 75 75 LEU CD2 C 13 24.532 0.174 . 2 . . . . 75 L CD2 . 17833 1
675 . 1 1 75 75 LEU N N 15 130.554 0.072 . 1 . . . . 75 L N . 17833 1
676 . 1 1 76 76 LYS H H 1 9.067 0.003 . 1 . . . . 76 K H . 17833 1
677 . 1 1 76 76 LYS HA H 1 4.353 0.011 . 1 . . . . 76 K HA . 17833 1
678 . 1 1 76 76 LYS HB2 H 1 1.656 0.013 . 2 . . . . 76 K HB2 . 17833 1
679 . 1 1 76 76 LYS HB3 H 1 2.107 0.007 . 2 . . . . 76 K HB3 . 17833 1
680 . 1 1 76 76 LYS HG2 H 1 0.852 0.013 . 2 . . . . 76 K HG2 . 17833 1
681 . 1 1 76 76 LYS HG3 H 1 1.481 0.008 . 2 . . . . 76 K HG3 . 17833 1
682 . 1 1 76 76 LYS HD2 H 1 1.610 0.049 . 2 . . . . 76 K HD2 . 17833 1
683 . 1 1 76 76 LYS HD3 H 1 1.569 0.007 . 2 . . . . 76 K HD3 . 17833 1
684 . 1 1 76 76 LYS HE2 H 1 3.213 0.007 . 2 . . . . 76 K HE2 . 17833 1
685 . 1 1 76 76 LYS HE3 H 1 2.917 0.008 . 2 . . . . 76 K HE3 . 17833 1
686 . 1 1 76 76 LYS C C 13 177.741 0.004 . 1 . . . . 76 K C . 17833 1
687 . 1 1 76 76 LYS CA C 13 56.849 0.089 . 1 . . . . 76 K CA . 17833 1
688 . 1 1 76 76 LYS CB C 13 33.265 0.141 . 1 . . . . 76 K CB . 17833 1
689 . 1 1 76 76 LYS CG C 13 24.691 0.138 . 1 . . . . 76 K CG . 17833 1
690 . 1 1 76 76 LYS CD C 13 29.237 0.240 . 1 . . . . 76 K CD . 17833 1
691 . 1 1 76 76 LYS CE C 13 42.426 0.127 . 1 . . . . 76 K CE . 17833 1
692 . 1 1 76 76 LYS N N 15 122.936 0.055 . 1 . . . . 76 K N . 17833 1
693 . 1 1 77 77 ASP H H 1 8.705 0.003 . 1 . . . . 77 D H . 17833 1
694 . 1 1 77 77 ASP HA H 1 4.298 0.005 . 1 . . . . 77 D HA . 17833 1
695 . 1 1 77 77 ASP HB2 H 1 2.693 0.004 . 2 . . . . 77 D HB2 . 17833 1
696 . 1 1 77 77 ASP HB3 H 1 2.559 0.007 . 2 . . . . 77 D HB3 . 17833 1
697 . 1 1 77 77 ASP C C 13 177.051 0.010 . 1 . . . . 77 D C . 17833 1
698 . 1 1 77 77 ASP CA C 13 57.524 0.122 . 1 . . . . 77 D CA . 17833 1
699 . 1 1 77 77 ASP CB C 13 40.219 0.158 . 1 . . . . 77 D CB . 17833 1
700 . 1 1 77 77 ASP N N 15 122.057 0.067 . 1 . . . . 77 D N . 17833 1
701 . 1 1 78 78 GLY H H 1 9.095 0.004 . 1 . . . . 78 G H . 17833 1
702 . 1 1 78 78 GLY HA2 H 1 4.639 0.006 . 2 . . . . 78 G HA2 . 17833 1
703 . 1 1 78 78 GLY HA3 H 1 3.483 0.005 . 2 . . . . 78 G HA3 . 17833 1
704 . 1 1 78 78 GLY C C 13 177.226 0.011 . 1 . . . . 78 G C . 17833 1
705 . 1 1 78 78 GLY CA C 13 45.503 0.118 . 1 . . . . 78 G CA . 17833 1
706 . 1 1 78 78 GLY N N 15 107.064 0.055 . 1 . . . . 78 G N . 17833 1
707 . 1 1 79 79 ILE H H 1 7.810 0.003 . 1 . . . . 79 I H . 17833 1
708 . 1 1 79 79 ILE HA H 1 3.910 0.005 . 1 . . . . 79 I HA . 17833 1
709 . 1 1 79 79 ILE HB H 1 1.627 0.006 . 1 . . . . 79 I HB . 17833 1
710 . 1 1 79 79 ILE HG12 H 1 1.250 0.006 . 2 . . . . 79 I HG12 . 17833 1
711 . 1 1 79 79 ILE HG13 H 1 1.044 0.008 . 2 . . . . 79 I HG13 . 17833 1
712 . 1 1 79 79 ILE HG21 H 1 1.071 0.009 . 2 . . . . 79 I HG2 . 17833 1
713 . 1 1 79 79 ILE HG22 H 1 1.071 0.009 . 2 . . . . 79 I HG2 . 17833 1
714 . 1 1 79 79 ILE HG23 H 1 1.071 0.009 . 2 . . . . 79 I HG2 . 17833 1
715 . 1 1 79 79 ILE HD11 H 1 0.444 0.006 . 2 . . . . 79 I HD1 . 17833 1
716 . 1 1 79 79 ILE HD12 H 1 0.444 0.006 . 2 . . . . 79 I HD1 . 17833 1
717 . 1 1 79 79 ILE HD13 H 1 0.444 0.006 . 2 . . . . 79 I HD1 . 17833 1
718 . 1 1 79 79 ILE C C 13 177.483 0.002 . 1 . . . . 79 I C . 17833 1
719 . 1 1 79 79 ILE CA C 13 66.294 0.110 . 1 . . . . 79 I CA . 17833 1
720 . 1 1 79 79 ILE CB C 13 39.624 0.153 . 1 . . . . 79 I CB . 17833 1
721 . 1 1 79 79 ILE CG1 C 13 31.748 0.204 . 1 . . . . 79 I CG1 . 17833 1
722 . 1 1 79 79 ILE CG2 C 13 17.453 0.161 . 1 . . . . 79 I CG2 . 17833 1
723 . 1 1 79 79 ILE CD1 C 13 14.390 0.139 . 1 . . . . 79 I CD1 . 17833 1
724 . 1 1 79 79 ILE N N 15 125.048 0.050 . 1 . . . . 79 I N . 17833 1
725 . 1 1 80 80 GLY H H 1 9.090 0.002 . 1 . . . . 80 G H . 17833 1
726 . 1 1 80 80 GLY HA2 H 1 4.446 0.011 . 2 . . . . 80 G HA2 . 17833 1
727 . 1 1 80 80 GLY HA3 H 1 3.846 0.003 . 2 . . . . 80 G HA3 . 17833 1
728 . 1 1 80 80 GLY C C 13 174.108 0.006 . 1 . . . . 80 G C . 17833 1
729 . 1 1 80 80 GLY CA C 13 46.050 0.117 . 1 . . . . 80 G CA . 17833 1
730 . 1 1 80 80 GLY N N 15 113.207 0.048 . 1 . . . . 80 G N . 17833 1
731 . 1 1 81 81 GLU H H 1 7.740 0.003 . 1 . . . . 81 E H . 17833 1
732 . 1 1 81 81 GLU HA H 1 4.242 0.005 . 1 . . . . 81 E HA . 17833 1
733 . 1 1 81 81 GLU HB2 H 1 1.970 0.006 . 2 . . . . 81 E HB2 . 17833 1
734 . 1 1 81 81 GLU HB3 H 1 2.205 0.011 . 2 . . . . 81 E HB3 . 17833 1
735 . 1 1 81 81 GLU HG2 H 1 2.091 0.007 . 2 . . . . 81 E HG2 . 17833 1
736 . 1 1 81 81 GLU HG3 H 1 2.223 0.006 . 2 . . . . 81 E HG3 . 17833 1
737 . 1 1 81 81 GLU C C 13 177.440 0.009 . 1 . . . . 81 E C . 17833 1
738 . 1 1 81 81 GLU CA C 13 55.200 0.093 . 1 . . . . 81 E CA . 17833 1
739 . 1 1 81 81 GLU CB C 13 30.978 0.151 . 1 . . . . 81 E CB . 17833 1
740 . 1 1 81 81 GLU CG C 13 36.668 0.139 . 1 . . . . 81 E CG . 17833 1
741 . 1 1 81 81 GLU N N 15 116.562 0.043 . 1 . . . . 81 E N . 17833 1
742 . 1 1 82 82 GLY H H 1 7.897 0.003 . 1 . . . . 82 G H . 17833 1
743 . 1 1 82 82 GLY HA2 H 1 4.002 0.005 . 2 . . . . 82 G HA2 . 17833 1
744 . 1 1 82 82 GLY HA3 H 1 3.558 0.006 . 2 . . . . 82 G HA3 . 17833 1
745 . 1 1 82 82 GLY C C 13 172.127 0.014 . 1 . . . . 82 G C . 17833 1
746 . 1 1 82 82 GLY CA C 13 47.102 0.116 . 1 . . . . 82 G CA . 17833 1
747 . 1 1 82 82 GLY N N 15 111.329 0.059 . 1 . . . . 82 G N . 17833 1
748 . 1 1 83 83 LYS H H 1 7.713 0.003 . 1 . . . . 83 K H . 17833 1
749 . 1 1 83 83 LYS HA H 1 5.133 0.007 . 1 . . . . 83 K HA . 17833 1
750 . 1 1 83 83 LYS HB2 H 1 1.687 0.005 . 2 . . . . 83 K HB2 . 17833 1
751 . 1 1 83 83 LYS HB3 H 1 1.522 0.004 . 2 . . . . 83 K HB3 . 17833 1
752 . 1 1 83 83 LYS HG2 H 1 1.153 0.004 . 2 . . . . 83 K HG2 . 17833 1
753 . 1 1 83 83 LYS HG3 H 1 1.204 0.009 . 2 . . . . 83 K HG3 . 17833 1
754 . 1 1 83 83 LYS HD2 H 1 1.523 0.006 . 2 . . . . 83 K HD2 . 17833 1
755 . 1 1 83 83 LYS HD3 H 1 1.523 0.006 . 2 . . . . 83 K HD3 . 17833 1
756 . 1 1 83 83 LYS HE2 H 1 2.778 0.005 . 2 . . . . 83 K HE2 . 17833 1
757 . 1 1 83 83 LYS HE3 H 1 2.778 0.005 . 2 . . . . 83 K HE3 . 17833 1
758 . 1 1 83 83 LYS C C 13 176.650 0.006 . 1 . . . . 83 K C . 17833 1
759 . 1 1 83 83 LYS CA C 13 55.069 0.094 . 1 . . . . 83 K CA . 17833 1
760 . 1 1 83 83 LYS CB C 13 35.525 0.110 . 1 . . . . 83 K CB . 17833 1
761 . 1 1 83 83 LYS CG C 13 25.364 0.161 . 1 . . . . 83 K CG . 17833 1
762 . 1 1 83 83 LYS CD C 13 29.774 0.172 . 1 . . . . 83 K CD . 17833 1
763 . 1 1 83 83 LYS CE C 13 42.302 0.131 . 1 . . . . 83 K CE . 17833 1
764 . 1 1 83 83 LYS N N 15 120.894 0.046 . 1 . . . . 83 K N . 17833 1
765 . 1 1 84 84 VAL H H 1 8.656 0.003 . 1 . . . . 84 V H . 17833 1
766 . 1 1 84 84 VAL HA H 1 4.650 0.007 . 1 . . . . 84 V HA . 17833 1
767 . 1 1 84 84 VAL HB H 1 2.035 0.004 . 1 . . . . 84 V HB . 17833 1
768 . 1 1 84 84 VAL HG11 H 1 0.990 0.005 . 2 . . . . 84 V MG1 . 17833 1
769 . 1 1 84 84 VAL HG12 H 1 0.990 0.005 . 2 . . . . 84 V MG1 . 17833 1
770 . 1 1 84 84 VAL HG13 H 1 0.990 0.005 . 2 . . . . 84 V MG1 . 17833 1
771 . 1 1 84 84 VAL HG21 H 1 0.785 0.006 . 2 . . . . 84 V MG2 . 17833 1
772 . 1 1 84 84 VAL HG22 H 1 0.785 0.006 . 2 . . . . 84 V MG2 . 17833 1
773 . 1 1 84 84 VAL HG23 H 1 0.785 0.006 . 2 . . . . 84 V MG2 . 17833 1
774 . 1 1 84 84 VAL C C 13 173.798 0.001 . 1 . . . . 84 V C . 17833 1
775 . 1 1 84 84 VAL CA C 13 59.932 0.108 . 1 . . . . 84 V CA . 17833 1
776 . 1 1 84 84 VAL CB C 13 36.270 0.174 . 1 . . . . 84 V CB . 17833 1
777 . 1 1 84 84 VAL CG1 C 13 19.364 0.163 . 2 . . . . 84 V CG1 . 17833 1
778 . 1 1 84 84 VAL CG2 C 13 22.594 0.172 . 2 . . . . 84 V CG2 . 17833 1
779 . 1 1 84 84 VAL N N 15 114.623 0.043 . 1 . . . . 84 V N . 17833 1
780 . 1 1 85 85 THR H H 1 7.155 0.003 . 1 . . . . 85 T H . 17833 1
781 . 1 1 85 85 THR HA H 1 5.154 0.006 . 1 . . . . 85 T HA . 17833 1
782 . 1 1 85 85 THR HG21 H 1 0.906 0.006 . 2 . . . . 85 T HG2 . 17833 1
783 . 1 1 85 85 THR HG22 H 1 0.906 0.006 . 2 . . . . 85 T HG2 . 17833 1
784 . 1 1 85 85 THR HG23 H 1 0.906 0.006 . 2 . . . . 85 T HG2 . 17833 1
785 . 1 1 85 85 THR C C 13 171.574 0.003 . 1 . . . . 85 T C . 17833 1
786 . 1 1 85 85 THR CA C 13 61.243 0.104 . 1 . . . . 85 T CA . 17833 1
787 . 1 1 85 85 THR CB C 13 72.101 0.071 . 1 . . . . 85 T CB . 17833 1
788 . 1 1 85 85 THR CG2 C 13 20.770 0.000 . 1 . . . . 85 T CG2 . 17833 1
789 . 1 1 85 85 THR N N 15 117.190 0.042 . 1 . . . . 85 T N . 17833 1
790 . 1 1 86 86 LEU H H 1 9.298 0.003 . 1 . . . . 86 L H . 17833 1
791 . 1 1 86 86 LEU HA H 1 4.322 0.006 . 1 . . . . 86 L HA . 17833 1
792 . 1 1 86 86 LEU HB2 H 1 0.286 0.009 . 2 . . . . 86 L HB2 . 17833 1
793 . 1 1 86 86 LEU HB3 H 1 -0.801 0.006 . 2 . . . . 86 L HB3 . 17833 1
794 . 1 1 86 86 LEU HG H 1 0.027 0.006 . 1 . . . . 86 L HG . 17833 1
795 . 1 1 86 86 LEU HD11 H 1 -0.207 0.005 . 2 . . . . 86 L HD1 . 17833 1
796 . 1 1 86 86 LEU HD12 H 1 -0.207 0.005 . 2 . . . . 86 L HD1 . 17833 1
797 . 1 1 86 86 LEU HD13 H 1 -0.207 0.005 . 2 . . . . 86 L HD1 . 17833 1
798 . 1 1 86 86 LEU HD21 H 1 0.617 0.007 . 2 . . . . 86 L HD2 . 17833 1
799 . 1 1 86 86 LEU HD22 H 1 0.617 0.007 . 2 . . . . 86 L HD2 . 17833 1
800 . 1 1 86 86 LEU HD23 H 1 0.617 0.007 . 2 . . . . 86 L HD2 . 17833 1
801 . 1 1 86 86 LEU C C 13 173.518 0.002 . 1 . . . . 86 L C . 17833 1
802 . 1 1 86 86 LEU CA C 13 53.169 0.101 . 1 . . . . 86 L CA . 17833 1
803 . 1 1 86 86 LEU CB C 13 43.200 0.181 . 1 . . . . 86 L CB . 17833 1
804 . 1 1 86 86 LEU CG C 13 23.510 0.170 . 1 . . . . 86 L CG . 17833 1
805 . 1 1 86 86 LEU CD1 C 13 25.245 0.157 . 2 . . . . 86 L CD1 . 17833 1
806 . 1 1 86 86 LEU CD2 C 13 26.082 0.217 . 2 . . . . 86 L CD2 . 17833 1
807 . 1 1 86 86 LEU N N 15 130.476 0.045 . 1 . . . . 86 L N . 17833 1
808 . 1 1 87 87 ARG H H 1 8.902 0.005 . 1 . . . . 87 R H . 17833 1
809 . 1 1 87 87 ARG HA H 1 5.111 0.004 . 1 . . . . 87 R HA . 17833 1
810 . 1 1 87 87 ARG HB2 H 1 1.399 0.008 . 2 . . . . 87 R HB2 . 17833 1
811 . 1 1 87 87 ARG HB3 H 1 1.326 0.008 . 2 . . . . 87 R HB3 . 17833 1
812 . 1 1 87 87 ARG HG2 H 1 1.159 0.006 . 2 . . . . 87 R HG2 . 17833 1
813 . 1 1 87 87 ARG HG3 H 1 0.846 0.006 . 2 . . . . 87 R HG3 . 17833 1
814 . 1 1 87 87 ARG HD2 H 1 3.070 0.006 . 2 . . . . 87 R HD2 . 17833 1
815 . 1 1 87 87 ARG HD3 H 1 2.979 0.003 . 2 . . . . 87 R HD3 . 17833 1
816 . 1 1 87 87 ARG C C 13 174.261 0.010 . 1 . . . . 87 R C . 17833 1
817 . 1 1 87 87 ARG CA C 13 54.025 0.121 . 1 . . . . 87 R CA . 17833 1
818 . 1 1 87 87 ARG CB C 13 33.234 0.121 . 1 . . . . 87 R CB . 17833 1
819 . 1 1 87 87 ARG CG C 13 27.068 0.140 . 1 . . . . 87 R CG . 17833 1
820 . 1 1 87 87 ARG CD C 13 44.297 0.135 . 1 . . . . 87 R CD . 17833 1
821 . 1 1 87 87 ARG N N 15 127.252 0.051 . 1 . . . . 87 R N . 17833 1
822 . 1 1 88 88 ILE H H 1 8.637 0.003 . 1 . . . . 88 I H . 17833 1
823 . 1 1 88 88 ILE HA H 1 4.704 0.004 . 1 . . . . 88 I HA . 17833 1
824 . 1 1 88 88 ILE HB H 1 1.370 0.006 . 1 . . . . 88 I HB . 17833 1
825 . 1 1 88 88 ILE HG12 H 1 1.130 0.005 . 2 . . . . 88 I HG12 . 17833 1
826 . 1 1 88 88 ILE HG13 H 1 0.674 0.006 . 2 . . . . 88 I HG13 . 17833 1
827 . 1 1 88 88 ILE HG21 H 1 0.933 0.006 . 2 . . . . 88 I HG2 . 17833 1
828 . 1 1 88 88 ILE HG22 H 1 0.933 0.006 . 2 . . . . 88 I HG2 . 17833 1
829 . 1 1 88 88 ILE HG23 H 1 0.933 0.006 . 2 . . . . 88 I HG2 . 17833 1
830 . 1 1 88 88 ILE HD11 H 1 0.569 0.006 . 2 . . . . 88 I HD1 . 17833 1
831 . 1 1 88 88 ILE HD12 H 1 0.569 0.006 . 2 . . . . 88 I HD1 . 17833 1
832 . 1 1 88 88 ILE HD13 H 1 0.569 0.006 . 2 . . . . 88 I HD1 . 17833 1
833 . 1 1 88 88 ILE C C 13 175.399 0.006 . 1 . . . . 88 I C . 17833 1
834 . 1 1 88 88 ILE CA C 13 59.797 0.049 . 1 . . . . 88 I CA . 17833 1
835 . 1 1 88 88 ILE CB C 13 40.454 0.142 . 1 . . . . 88 I CB . 17833 1
836 . 1 1 88 88 ILE CG1 C 13 27.334 0.181 . 1 . . . . 88 I CG1 . 17833 1
837 . 1 1 88 88 ILE CG2 C 13 17.549 0.135 . 1 . . . . 88 I CG2 . 17833 1
838 . 1 1 88 88 ILE CD1 C 13 14.641 0.131 . 1 . . . . 88 I CD1 . 17833 1
839 . 1 1 88 88 ILE N N 15 123.172 0.049 . 1 . . . . 88 I N . 17833 1
840 . 1 1 89 89 PHE H H 1 8.586 0.007 . 1 . . . . 89 F H . 17833 1
841 . 1 1 89 89 PHE HA H 1 4.875 0.006 . 1 . . . . 89 F HA . 17833 1
842 . 1 1 89 89 PHE HB2 H 1 2.760 0.006 . 2 . . . . 89 F HB2 . 17833 1
843 . 1 1 89 89 PHE HB3 H 1 3.141 0.005 . 2 . . . . 89 F HB3 . 17833 1
844 . 1 1 89 89 PHE C C 13 176.103 0.009 . 1 . . . . 89 F C . 17833 1
845 . 1 1 89 89 PHE CA C 13 56.817 0.157 . 1 . . . . 89 F CA . 17833 1
846 . 1 1 89 89 PHE CB C 13 41.102 0.166 . 1 . . . . 89 F CB . 17833 1
847 . 1 1 89 89 PHE N N 15 124.987 0.050 . 1 . . . . 89 F N . 17833 1
848 . 1 1 90 90 ASN H H 1 8.230 0.002 . 1 . . . . 90 N H . 17833 1
849 . 1 1 90 90 ASN HA H 1 4.136 0.004 . 1 . . . . 90 N HA . 17833 1
850 . 1 1 90 90 ASN HB2 H 1 3.048 0.003 . 2 . . . . 90 N HB2 . 17833 1
851 . 1 1 90 90 ASN HB3 H 1 2.698 0.005 . 2 . . . . 90 N HB3 . 17833 1
852 . 1 1 90 90 ASN C C 13 174.745 0.050 . 1 . . . . 90 N C . 17833 1
853 . 1 1 90 90 ASN CA C 13 53.570 0.114 . 1 . . . . 90 N CA . 17833 1
854 . 1 1 90 90 ASN CB C 13 36.726 0.147 . 1 . . . . 90 N CB . 17833 1
855 . 1 1 90 90 ASN N N 15 118.313 0.039 . 1 . . . . 90 N N . 17833 1
856 . 1 1 91 91 VAL H H 1 8.647 0.002 . 1 . . . . 91 V H . 17833 1
857 . 1 1 91 91 VAL HA H 1 4.152 0.007 . 1 . . . . 91 V HA . 17833 1
858 . 1 1 91 91 VAL HB H 1 2.187 0.006 . 1 . . . . 91 V HB . 17833 1
859 . 1 1 91 91 VAL HG11 H 1 0.805 0.006 . 2 . . . . 91 V MG1 . 17833 1
860 . 1 1 91 91 VAL HG12 H 1 0.805 0.006 . 2 . . . . 91 V MG1 . 17833 1
861 . 1 1 91 91 VAL HG13 H 1 0.805 0.006 . 2 . . . . 91 V MG1 . 17833 1
862 . 1 1 91 91 VAL HG21 H 1 0.757 0.006 . 2 . . . . 91 V MG2 . 17833 1
863 . 1 1 91 91 VAL HG22 H 1 0.757 0.006 . 2 . . . . 91 V MG2 . 17833 1
864 . 1 1 91 91 VAL HG23 H 1 0.757 0.006 . 2 . . . . 91 V MG2 . 17833 1
865 . 1 1 91 91 VAL C C 13 177.344 0.021 . 1 . . . . 91 V C . 17833 1
866 . 1 1 91 91 VAL CA C 13 62.939 0.139 . 1 . . . . 91 V CA . 17833 1
867 . 1 1 91 91 VAL CB C 13 32.985 0.211 . 1 . . . . 91 V CB . 17833 1
868 . 1 1 91 91 VAL CG1 C 13 22.777 0.100 . 2 . . . . 91 V CG1 . 17833 1
869 . 1 1 91 91 VAL CG2 C 13 20.629 0.228 . 2 . . . . 91 V CG2 . 17833 1
870 . 1 1 91 91 VAL N N 15 114.576 0.048 . 1 . . . . 91 V N . 17833 1
871 . 1 1 92 92 THR H H 1 9.448 0.003 . 1 . . . . 92 T H . 17833 1
872 . 1 1 92 92 THR HA H 1 4.783 0.006 . 1 . . . . 92 T HA . 17833 1
873 . 1 1 92 92 THR HB H 1 4.550 0.005 . 1 . . . . 92 T HB . 17833 1
874 . 1 1 92 92 THR HG21 H 1 1.256 0.005 . 2 . . . . 92 T HG2 . 17833 1
875 . 1 1 92 92 THR HG22 H 1 1.256 0.005 . 2 . . . . 92 T HG2 . 17833 1
876 . 1 1 92 92 THR HG23 H 1 1.256 0.005 . 2 . . . . 92 T HG2 . 17833 1
877 . 1 1 92 92 THR C C 13 175.594 0.009 . 1 . . . . 92 T C . 17833 1
878 . 1 1 92 92 THR CA C 13 59.748 0.073 . 1 . . . . 92 T CA . 17833 1
879 . 1 1 92 92 THR CB C 13 72.716 0.279 . 1 . . . . 92 T CB . 17833 1
880 . 1 1 92 92 THR CG2 C 13 21.438 0.150 . 1 . . . . 92 T CG2 . 17833 1
881 . 1 1 92 92 THR N N 15 116.064 0.063 . 1 . . . . 92 T N . 17833 1
882 . 1 1 93 93 VAL H H 1 8.355 0.004 . 1 . . . . 93 V H . 17833 1
883 . 1 1 93 93 VAL HA H 1 3.887 0.007 . 1 . . . . 93 V HA . 17833 1
884 . 1 1 93 93 VAL HB H 1 2.232 0.009 . 1 . . . . 93 V HB . 17833 1
885 . 1 1 93 93 VAL HG11 H 1 1.052 0.011 . 2 . . . . 93 V MG1 . 17833 1
886 . 1 1 93 93 VAL HG12 H 1 1.052 0.011 . 2 . . . . 93 V MG1 . 17833 1
887 . 1 1 93 93 VAL HG13 H 1 1.052 0.011 . 2 . . . . 93 V MG1 . 17833 1
888 . 1 1 93 93 VAL HG21 H 1 1.024 0.006 . 2 . . . . 93 V MG2 . 17833 1
889 . 1 1 93 93 VAL HG22 H 1 1.024 0.006 . 2 . . . . 93 V MG2 . 17833 1
890 . 1 1 93 93 VAL HG23 H 1 1.024 0.006 . 2 . . . . 93 V MG2 . 17833 1
891 . 1 1 93 93 VAL C C 13 176.950 0.010 . 1 . . . . 93 V C . 17833 1
892 . 1 1 93 93 VAL CA C 13 65.087 0.116 . 1 . . . . 93 V CA . 17833 1
893 . 1 1 93 93 VAL CB C 13 31.612 0.164 . 1 . . . . 93 V CB . 17833 1
894 . 1 1 93 93 VAL CG1 C 13 21.487 0.236 . 2 . . . . 93 V CG1 . 17833 1
895 . 1 1 93 93 VAL CG2 C 13 20.322 0.222 . 2 . . . . 93 V CG2 . 17833 1
896 . 1 1 93 93 VAL N N 15 115.962 0.051 . 1 . . . . 93 V N . 17833 1
897 . 1 1 94 94 ASP H H 1 7.725 0.002 . 1 . . . . 94 D H . 17833 1
898 . 1 1 94 94 ASP HA H 1 4.678 0.007 . 1 . . . . 94 D HA . 17833 1
899 . 1 1 94 94 ASP HB2 H 1 2.698 0.004 . 2 . . . . 94 D HB2 . 17833 1
900 . 1 1 94 94 ASP HB3 H 1 2.385 0.002 . 2 . . . . 94 D HB3 . 17833 1
901 . 1 1 94 94 ASP C C 13 176.096 0.002 . 1 . . . . 94 D C . 17833 1
902 . 1 1 94 94 ASP CA C 13 55.351 0.192 . 1 . . . . 94 D CA . 17833 1
903 . 1 1 94 94 ASP CB C 13 41.085 0.138 . 1 . . . . 94 D CB . 17833 1
904 . 1 1 94 94 ASP N N 15 118.298 0.038 . 1 . . . . 94 D N . 17833 1
905 . 1 1 95 95 ASP H H 1 7.880 0.002 . 1 . . . . 95 D H . 17833 1
906 . 1 1 95 95 ASP HA H 1 4.861 0.012 . 1 . . . . 95 D HA . 17833 1
907 . 1 1 95 95 ASP HB2 H 1 2.934 0.004 . 2 . . . . 95 D HB2 . 17833 1
908 . 1 1 95 95 ASP HB3 H 1 2.934 0.004 . 2 . . . . 95 D HB3 . 17833 1
909 . 1 1 95 95 ASP C C 13 176.187 0.013 . 1 . . . . 95 D C . 17833 1
910 . 1 1 95 95 ASP CA C 13 55.012 0.143 . 1 . . . . 95 D CA . 17833 1
911 . 1 1 95 95 ASP CB C 13 41.513 0.225 . 1 . . . . 95 D CB . 17833 1
912 . 1 1 95 95 ASP N N 15 116.635 0.065 . 1 . . . . 95 D N . 17833 1
913 . 1 1 96 96 ASP H H 1 7.641 0.003 . 1 . . . . 96 D H . 17833 1
914 . 1 1 96 96 ASP HA H 1 4.375 0.005 . 1 . . . . 96 D HA . 17833 1
915 . 1 1 96 96 ASP HB2 H 1 2.960 0.007 . 2 . . . . 96 D HB2 . 17833 1
916 . 1 1 96 96 ASP HB3 H 1 2.758 0.012 . 2 . . . . 96 D HB3 . 17833 1
917 . 1 1 96 96 ASP C C 13 175.699 0.011 . 1 . . . . 96 D C . 17833 1
918 . 1 1 96 96 ASP CA C 13 55.032 0.151 . 1 . . . . 96 D CA . 17833 1
919 . 1 1 96 96 ASP CB C 13 42.314 0.147 . 1 . . . . 96 D CB . 17833 1
920 . 1 1 96 96 ASP N N 15 121.331 0.059 . 1 . . . . 96 D N . 17833 1
921 . 1 1 97 97 GLY H H 1 8.448 0.005 . 1 . . . . 97 G H . 17833 1
922 . 1 1 97 97 GLY HA2 H 1 4.581 0.009 . 2 . . . . 97 G HA2 . 17833 1
923 . 1 1 97 97 GLY HA3 H 1 3.991 0.007 . 2 . . . . 97 G HA3 . 17833 1
924 . 1 1 97 97 GLY C C 13 172.830 0.000 . 1 . . . . 97 G C . 17833 1
925 . 1 1 97 97 GLY CA C 13 45.169 0.142 . 1 . . . . 97 G CA . 17833 1
926 . 1 1 97 97 GLY N N 15 107.816 0.067 . 1 . . . . 97 G N . 17833 1
927 . 1 1 98 98 SER H H 1 8.484 0.003 . 1 . . . . 98 S H . 17833 1
928 . 1 1 98 98 SER HA H 1 4.935 0.003 . 1 . . . . 98 S HA . 17833 1
929 . 1 1 98 98 SER HB2 H 1 3.844 0.010 . 2 . . . . 98 S HB2 . 17833 1
930 . 1 1 98 98 SER HB3 H 1 3.840 0.011 . 2 . . . . 98 S HB3 . 17833 1
931 . 1 1 98 98 SER C C 13 174.369 0.001 . 1 . . . . 98 S C . 17833 1
932 . 1 1 98 98 SER CA C 13 58.116 0.047 . 1 . . . . 98 S CA . 17833 1
933 . 1 1 98 98 SER CB C 13 63.233 0.101 . 1 . . . . 98 S CB . 17833 1
934 . 1 1 98 98 SER N N 15 116.405 0.047 . 1 . . . . 98 S N . 17833 1
935 . 1 1 99 99 TYR H H 1 9.226 0.002 . 1 . . . . 99 Y H . 17833 1
936 . 1 1 99 99 TYR HA H 1 4.893 0.005 . 1 . . . . 99 Y HA . 17833 1
937 . 1 1 99 99 TYR HB2 H 1 3.088 0.005 . 2 . . . . 99 Y HB2 . 17833 1
938 . 1 1 99 99 TYR HB3 H 1 2.589 0.005 . 2 . . . . 99 Y HB3 . 17833 1
939 . 1 1 99 99 TYR C C 13 175.918 0.010 . 1 . . . . 99 Y C . 17833 1
940 . 1 1 99 99 TYR CA C 13 58.279 0.122 . 1 . . . . 99 Y CA . 17833 1
941 . 1 1 99 99 TYR CB C 13 41.054 0.217 . 1 . . . . 99 Y CB . 17833 1
942 . 1 1 99 99 TYR N N 15 124.281 0.061 . 1 . . . . 99 Y N . 17833 1
943 . 1 1 100 100 HIS H H 1 9.476 0.004 . 1 . . . . 100 H H . 17833 1
944 . 1 1 100 100 HIS HA H 1 4.964 0.009 . 1 . . . . 100 H HA . 17833 1
945 . 1 1 100 100 HIS HB2 H 1 2.155 0.008 . 2 . . . . 100 H HB2 . 17833 1
946 . 1 1 100 100 HIS HB3 H 1 1.180 0.005 . 2 . . . . 100 H HB3 . 17833 1
947 . 1 1 100 100 HIS C C 13 173.643 0.003 . 1 . . . . 100 H C . 17833 1
948 . 1 1 100 100 HIS CA C 13 53.424 0.109 . 1 . . . . 100 H CA . 17833 1
949 . 1 1 100 100 HIS CB C 13 29.141 0.150 . 1 . . . . 100 H CB . 17833 1
950 . 1 1 100 100 HIS N N 15 123.288 0.063 . 1 . . . . 100 H N . 17833 1
951 . 1 1 101 101 CYS H H 1 8.681 0.003 . 1 . . . . 101 C H . 17833 1
952 . 1 1 101 101 CYS HA H 1 4.441 0.004 . 1 . . . . 101 C HA . 17833 1
953 . 1 1 101 101 CYS HB2 H 1 1.793 0.006 . 2 . . . . 101 C HB2 . 17833 1
954 . 1 1 101 101 CYS HB3 H 1 0.622 0.010 . 2 . . . . 101 C HB3 . 17833 1
955 . 1 1 101 101 CYS C C 13 172.015 0.006 . 1 . . . . 101 C C . 17833 1
956 . 1 1 101 101 CYS CA C 13 53.234 0.128 . 1 . . . . 101 C CA . 17833 1
957 . 1 1 101 101 CYS CB C 13 40.919 0.157 . 1 . . . . 101 C CB . 17833 1
958 . 1 1 101 101 CYS N N 15 118.341 0.036 . 1 . . . . 101 C N . 17833 1
959 . 1 1 102 102 VAL H H 1 9.114 0.005 . 1 . . . . 102 V H . 17833 1
960 . 1 1 102 102 VAL HA H 1 4.879 0.009 . 1 . . . . 102 V HA . 17833 1
961 . 1 1 102 102 VAL HB H 1 2.042 0.004 . 1 . . . . 102 V HB . 17833 1
962 . 1 1 102 102 VAL HG11 H 1 1.088 0.011 . 2 . . . . 102 V MG1 . 17833 1
963 . 1 1 102 102 VAL HG12 H 1 1.088 0.011 . 2 . . . . 102 V MG1 . 17833 1
964 . 1 1 102 102 VAL HG13 H 1 1.088 0.011 . 2 . . . . 102 V MG1 . 17833 1
965 . 1 1 102 102 VAL HG21 H 1 0.983 0.006 . 2 . . . . 102 V MG2 . 17833 1
966 . 1 1 102 102 VAL HG22 H 1 0.983 0.006 . 2 . . . . 102 V MG2 . 17833 1
967 . 1 1 102 102 VAL HG23 H 1 0.983 0.006 . 2 . . . . 102 V MG2 . 17833 1
968 . 1 1 102 102 VAL C C 13 175.006 0.006 . 1 . . . . 102 V C . 17833 1
969 . 1 1 102 102 VAL CA C 13 60.729 0.110 . 1 . . . . 102 V CA . 17833 1
970 . 1 1 102 102 VAL CB C 13 35.134 0.155 . 1 . . . . 102 V CB . 17833 1
971 . 1 1 102 102 VAL CG1 C 13 22.181 0.311 . 2 . . . . 102 V CG1 . 17833 1
972 . 1 1 102 102 VAL CG2 C 13 21.728 0.145 . 2 . . . . 102 V CG2 . 17833 1
973 . 1 1 102 102 VAL N N 15 124.021 0.045 . 1 . . . . 102 V N . 17833 1
974 . 1 1 103 103 PHE H H 1 8.663 0.009 . 1 . . . . 103 F H . 17833 1
975 . 1 1 103 103 PHE HA H 1 5.250 0.005 . 1 . . . . 103 F HA . 17833 1
976 . 1 1 103 103 PHE HB2 H 1 2.858 0.009 . 2 . . . . 103 F HB2 . 17833 1
977 . 1 1 103 103 PHE HB3 H 1 2.728 0.007 . 2 . . . . 103 F HB3 . 17833 1
978 . 1 1 103 103 PHE C C 13 173.933 0.006 . 1 . . . . 103 F C . 17833 1
979 . 1 1 103 103 PHE CA C 13 56.523 0.123 . 1 . . . . 103 F CA . 17833 1
980 . 1 1 103 103 PHE CB C 13 41.274 0.211 . 1 . . . . 103 F CB . 17833 1
981 . 1 1 103 103 PHE N N 15 126.414 0.044 . 1 . . . . 103 F N . 17833 1
982 . 1 1 104 104 LYS H H 1 9.440 0.006 . 1 . . . . 104 K H . 17833 1
983 . 1 1 104 104 LYS HA H 1 5.517 0.006 . 1 . . . . 104 K HA . 17833 1
984 . 1 1 104 104 LYS HB2 H 1 1.952 0.005 . 2 . . . . 104 K HB2 . 17833 1
985 . 1 1 104 104 LYS HB3 H 1 1.498 0.006 . 2 . . . . 104 K HB3 . 17833 1
986 . 1 1 104 104 LYS HG2 H 1 1.455 0.005 . 2 . . . . 104 K HG2 . 17833 1
987 . 1 1 104 104 LYS HG3 H 1 1.317 0.007 . 2 . . . . 104 K HG3 . 17833 1
988 . 1 1 104 104 LYS HD2 H 1 1.528 0.004 . 2 . . . . 104 K HD2 . 17833 1
989 . 1 1 104 104 LYS HD3 H 1 1.511 0.017 . 2 . . . . 104 K HD3 . 17833 1
990 . 1 1 104 104 LYS HE2 H 1 2.989 0.003 . 2 . . . . 104 K HE2 . 17833 1
991 . 1 1 104 104 LYS HE3 H 1 2.989 0.004 . 2 . . . . 104 K HE3 . 17833 1
992 . 1 1 104 104 LYS C C 13 174.993 0.004 . 1 . . . . 104 K C . 17833 1
993 . 1 1 104 104 LYS CA C 13 54.850 0.104 . 1 . . . . 104 K CA . 17833 1
994 . 1 1 104 104 LYS CB C 13 37.496 0.150 . 1 . . . . 104 K CB . 17833 1
995 . 1 1 104 104 LYS CG C 13 25.102 0.161 . 1 . . . . 104 K CG . 17833 1
996 . 1 1 104 104 LYS CD C 13 30.408 0.120 . 1 . . . . 104 K CD . 17833 1
997 . 1 1 104 104 LYS CE C 13 42.518 0.138 . 1 . . . . 104 K CE . 17833 1
998 . 1 1 104 104 LYS N N 15 123.291 0.040 . 1 . . . . 104 K N . 17833 1
999 . 1 1 105 105 ASP H H 1 9.490 0.004 . 1 . . . . 105 D H . 17833 1
1000 . 1 1 105 105 ASP HA H 1 5.206 0.005 . 1 . . . . 105 D HA . 17833 1
1001 . 1 1 105 105 ASP HB2 H 1 3.300 0.004 . 2 . . . . 105 D HB2 . 17833 1
1002 . 1 1 105 105 ASP HB3 H 1 2.918 0.005 . 2 . . . . 105 D HB3 . 17833 1
1003 . 1 1 105 105 ASP C C 13 176.182 0.015 . 1 . . . . 105 D C . 17833 1
1004 . 1 1 105 105 ASP CA C 13 52.467 0.083 . 1 . . . . 105 D CA . 17833 1
1005 . 1 1 105 105 ASP CB C 13 42.997 0.155 . 1 . . . . 105 D CB . 17833 1
1006 . 1 1 105 105 ASP N N 15 129.509 0.041 . 1 . . . . 105 D N . 17833 1
1007 . 1 1 106 106 GLY H H 1 8.825 0.002 . 1 . . . . 106 G H . 17833 1
1008 . 1 1 106 106 GLY HA2 H 1 4.113 0.007 . 2 . . . . 106 G HA2 . 17833 1
1009 . 1 1 106 106 GLY HA3 H 1 3.733 0.006 . 2 . . . . 106 G HA3 . 17833 1
1010 . 1 1 106 106 GLY C C 13 174.624 0.001 . 1 . . . . 106 G C . 17833 1
1011 . 1 1 106 106 GLY CA C 13 47.224 0.108 . 1 . . . . 106 G CA . 17833 1
1012 . 1 1 106 106 GLY N N 15 115.448 0.045 . 1 . . . . 106 G N . 17833 1
1013 . 1 1 107 107 ASP H H 1 8.886 0.004 . 1 . . . . 107 D H . 17833 1
1014 . 1 1 107 107 ASP HA H 1 4.686 0.006 . 1 . . . . 107 D HA . 17833 1
1015 . 1 1 107 107 ASP HB2 H 1 2.826 0.003 . 2 . . . . 107 D HB2 . 17833 1
1016 . 1 1 107 107 ASP HB3 H 1 2.540 0.007 . 2 . . . . 107 D HB3 . 17833 1
1017 . 1 1 107 107 ASP C C 13 175.663 0.003 . 1 . . . . 107 D C . 17833 1
1018 . 1 1 107 107 ASP CA C 13 54.954 0.121 . 1 . . . . 107 D CA . 17833 1
1019 . 1 1 107 107 ASP CB C 13 41.324 0.172 . 1 . . . . 107 D CB . 17833 1
1020 . 1 1 107 107 ASP N N 15 126.064 0.046 . 1 . . . . 107 D N . 17833 1
1021 . 1 1 108 108 PHE H H 1 7.914 0.002 . 1 . . . . 108 F H . 17833 1
1022 . 1 1 108 108 PHE HA H 1 4.562 0.005 . 1 . . . . 108 F HA . 17833 1
1023 . 1 1 108 108 PHE HB2 H 1 3.044 0.017 . 2 . . . . 108 F HB2 . 17833 1
1024 . 1 1 108 108 PHE HB3 H 1 3.105 0.010 . 2 . . . . 108 F HB3 . 17833 1
1025 . 1 1 108 108 PHE C C 13 173.323 0.007 . 1 . . . . 108 F C . 17833 1
1026 . 1 1 108 108 PHE CA C 13 58.239 0.113 . 1 . . . . 108 F CA . 17833 1
1027 . 1 1 108 108 PHE CB C 13 41.433 0.220 . 1 . . . . 108 F CB . 17833 1
1028 . 1 1 108 108 PHE N N 15 121.768 0.050 . 1 . . . . 108 F N . 17833 1
1029 . 1 1 109 109 TYR H H 1 7.147 0.003 . 1 . . . . 109 Y H . 17833 1
1030 . 1 1 109 109 TYR HA H 1 5.540 0.013 . 1 . . . . 109 Y HA . 17833 1
1031 . 1 1 109 109 TYR HB2 H 1 2.747 0.008 . 2 . . . . 109 Y HB2 . 17833 1
1032 . 1 1 109 109 TYR HB3 H 1 2.873 0.007 . 2 . . . . 109 Y HB3 . 17833 1
1033 . 1 1 109 109 TYR C C 13 172.555 0.004 . 1 . . . . 109 Y C . 17833 1
1034 . 1 1 109 109 TYR CA C 13 55.844 0.084 . 1 . . . . 109 Y CA . 17833 1
1035 . 1 1 109 109 TYR CB C 13 41.437 0.167 . 1 . . . . 109 Y CB . 17833 1
1036 . 1 1 109 109 TYR N N 15 123.015 0.052 . 1 . . . . 109 Y N . 17833 1
1037 . 1 1 110 110 GLU H H 1 8.520 0.005 . 1 . . . . 110 E H . 17833 1
1038 . 1 1 110 110 GLU HA H 1 4.401 0.009 . 1 . . . . 110 E HA . 17833 1
1039 . 1 1 110 110 GLU HB2 H 1 2.461 0.006 . 2 . . . . 110 E HB2 . 17833 1
1040 . 1 1 110 110 GLU HB3 H 1 1.746 0.009 . 2 . . . . 110 E HB3 . 17833 1
1041 . 1 1 110 110 GLU HG2 H 1 2.522 0.007 . 2 . . . . 110 E HG2 . 17833 1
1042 . 1 1 110 110 GLU HG3 H 1 2.888 0.006 . 2 . . . . 110 E HG3 . 17833 1
1043 . 1 1 110 110 GLU C C 13 174.406 0.000 . 1 . . . . 110 E C . 17833 1
1044 . 1 1 110 110 GLU CA C 13 55.534 0.085 . 1 . . . . 110 E CA . 17833 1
1045 . 1 1 110 110 GLU CB C 13 36.503 0.138 . 1 . . . . 110 E CB . 17833 1
1046 . 1 1 110 110 GLU CG C 13 37.549 0.041 . 1 . . . . 110 E CG . 17833 1
1047 . 1 1 110 110 GLU N N 15 121.074 0.089 . 1 . . . . 110 E N . 17833 1
1048 . 1 1 111 111 GLU H H 1 9.241 0.009 . 1 . . . . 111 E H . 17833 1
1049 . 1 1 111 111 GLU HA H 1 6.023 0.003 . 1 . . . . 111 E HA . 17833 1
1050 . 1 1 111 111 GLU HB2 H 1 2.016 0.004 . 2 . . . . 111 E HB2 . 17833 1
1051 . 1 1 111 111 GLU HB3 H 1 2.016 0.005 . 2 . . . . 111 E HB3 . 17833 1
1052 . 1 1 111 111 GLU HG2 H 1 2.330 0.008 . 2 . . . . 111 E HG2 . 17833 1
1053 . 1 1 111 111 GLU HG3 H 1 1.905 0.008 . 2 . . . . 111 E HG3 . 17833 1
1054 . 1 1 111 111 GLU C C 13 174.699 0.004 . 1 . . . . 111 E C . 17833 1
1055 . 1 1 111 111 GLU CA C 13 54.304 0.109 . 1 . . . . 111 E CA . 17833 1
1056 . 1 1 111 111 GLU CB C 13 36.291 0.135 . 1 . . . . 111 E CB . 17833 1
1057 . 1 1 111 111 GLU CG C 13 34.143 0.096 . 1 . . . . 111 E CG . 17833 1
1058 . 1 1 111 111 GLU N N 15 116.677 0.057 . 1 . . . . 111 E N . 17833 1
1059 . 1 1 112 112 HIS H H 1 8.180 0.002 . 1 . . . . 112 H H . 17833 1
1060 . 1 1 112 112 HIS C C 13 172.150 0.003 . 1 . . . . 112 H C . 17833 1
1061 . 1 1 112 112 HIS CA C 13 55.294 0.042 . 1 . . . . 112 H CA . 17833 1
1062 . 1 1 112 112 HIS CB C 13 31.553 0.015 . 1 . . . . 112 H CB . 17833 1
1063 . 1 1 112 112 HIS N N 15 117.629 0.040 . 1 . . . . 112 H N . 17833 1
1064 . 1 1 113 113 ILE H H 1 7.912 0.003 . 1 . . . . 113 I H . 17833 1
1065 . 1 1 113 113 ILE HA H 1 4.416 0.008 . 1 . . . . 113 I HA . 17833 1
1066 . 1 1 113 113 ILE HB H 1 1.237 0.007 . 1 . . . . 113 I HB . 17833 1
1067 . 1 1 113 113 ILE HG12 H 1 0.922 0.011 . 2 . . . . 113 I HG12 . 17833 1
1068 . 1 1 113 113 ILE HG13 H 1 -0.751 0.006 . 2 . . . . 113 I HG13 . 17833 1
1069 . 1 1 113 113 ILE HG21 H 1 0.343 0.005 . 2 . . . . 113 I HG2 . 17833 1
1070 . 1 1 113 113 ILE HG22 H 1 0.343 0.005 . 2 . . . . 113 I HG2 . 17833 1
1071 . 1 1 113 113 ILE HG23 H 1 0.343 0.005 . 2 . . . . 113 I HG2 . 17833 1
1072 . 1 1 113 113 ILE HD11 H 1 0.564 0.005 . 2 . . . . 113 I HD1 . 17833 1
1073 . 1 1 113 113 ILE HD12 H 1 0.564 0.005 . 2 . . . . 113 I HD1 . 17833 1
1074 . 1 1 113 113 ILE HD13 H 1 0.564 0.005 . 2 . . . . 113 I HD1 . 17833 1
1075 . 1 1 113 113 ILE C C 13 174.307 0.005 . 1 . . . . 113 I C . 17833 1
1076 . 1 1 113 113 ILE CA C 13 60.785 0.110 . 1 . . . . 113 I CA . 17833 1
1077 . 1 1 113 113 ILE CB C 13 39.784 0.139 . 1 . . . . 113 I CB . 17833 1
1078 . 1 1 113 113 ILE CG1 C 13 27.463 0.230 . 1 . . . . 113 I CG1 . 17833 1
1079 . 1 1 113 113 ILE CG2 C 13 17.844 0.164 . 1 . . . . 113 I CG2 . 17833 1
1080 . 1 1 113 113 ILE CD1 C 13 14.559 0.147 . 1 . . . . 113 I CD1 . 17833 1
1081 . 1 1 113 113 ILE N N 15 128.650 0.041 . 1 . . . . 113 I N . 17833 1
1082 . 1 1 114 114 THR H H 1 8.804 0.008 . 1 . . . . 114 T H . 17833 1
1083 . 1 1 114 114 THR HA H 1 4.501 0.007 . 1 . . . . 114 T HA . 17833 1
1084 . 1 1 114 114 THR HB H 1 3.932 0.008 . 1 . . . . 114 T HB . 17833 1
1085 . 1 1 114 114 THR HG21 H 1 1.303 0.007 . 2 . . . . 114 T HG2 . 17833 1
1086 . 1 1 114 114 THR HG22 H 1 1.303 0.007 . 2 . . . . 114 T HG2 . 17833 1
1087 . 1 1 114 114 THR HG23 H 1 1.303 0.007 . 2 . . . . 114 T HG2 . 17833 1
1088 . 1 1 114 114 THR C C 13 173.089 0.005 . 1 . . . . 114 T C . 17833 1
1089 . 1 1 114 114 THR CA C 13 61.982 0.114 . 1 . . . . 114 T CA . 17833 1
1090 . 1 1 114 114 THR CB C 13 71.749 0.220 . 1 . . . . 114 T CB . 17833 1
1091 . 1 1 114 114 THR CG2 C 13 21.910 0.248 . 1 . . . . 114 T CG2 . 17833 1
1092 . 1 1 114 114 THR N N 15 122.947 0.043 . 1 . . . . 114 T N . 17833 1
1093 . 1 1 115 115 GLU H H 1 8.703 0.003 . 1 . . . . 115 E H . 17833 1
1094 . 1 1 115 115 GLU HA H 1 4.817 0.004 . 1 . . . . 115 E HA . 17833 1
1095 . 1 1 115 115 GLU HB2 H 1 1.929 0.003 . 2 . . . . 115 E HB2 . 17833 1
1096 . 1 1 115 115 GLU HB3 H 1 2.166 0.003 . 2 . . . . 115 E HB3 . 17833 1
1097 . 1 1 115 115 GLU HG2 H 1 2.245 0.004 . 2 . . . . 115 E HG2 . 17833 1
1098 . 1 1 115 115 GLU HG3 H 1 2.273 0.002 . 2 . . . . 115 E HG3 . 17833 1
1099 . 1 1 115 115 GLU C C 13 175.104 0.004 . 1 . . . . 115 E C . 17833 1
1100 . 1 1 115 115 GLU CA C 13 56.473 0.036 . 1 . . . . 115 E CA . 17833 1
1101 . 1 1 115 115 GLU CB C 13 30.983 0.008 . 1 . . . . 115 E CB . 17833 1
1102 . 1 1 115 115 GLU CG C 13 35.761 0.000 . 1 . . . . 115 E CG . 17833 1
1103 . 1 1 115 115 GLU N N 15 128.434 0.054 . 1 . . . . 115 E N . 17833 1
1104 . 1 1 116 116 VAL H H 1 9.197 0.004 . 1 . . . . 116 V H . 17833 1
1105 . 1 1 116 116 VAL HA H 1 5.044 0.006 . 1 . . . . 116 V HA . 17833 1
1106 . 1 1 116 116 VAL HB H 1 2.383 0.006 . 1 . . . . 116 V HB . 17833 1
1107 . 1 1 116 116 VAL HG11 H 1 0.866 0.007 . 2 . . . . 116 V MG1 . 17833 1
1108 . 1 1 116 116 VAL HG12 H 1 0.866 0.007 . 2 . . . . 116 V MG1 . 17833 1
1109 . 1 1 116 116 VAL HG13 H 1 0.866 0.007 . 2 . . . . 116 V MG1 . 17833 1
1110 . 1 1 116 116 VAL HG21 H 1 0.876 0.009 . 2 . . . . 116 V MG2 . 17833 1
1111 . 1 1 116 116 VAL HG22 H 1 0.876 0.009 . 2 . . . . 116 V MG2 . 17833 1
1112 . 1 1 116 116 VAL HG23 H 1 0.876 0.009 . 2 . . . . 116 V MG2 . 17833 1
1113 . 1 1 116 116 VAL C C 13 175.879 0.003 . 1 . . . . 116 V C . 17833 1
1114 . 1 1 116 116 VAL CA C 13 61.299 0.095 . 1 . . . . 116 V CA . 17833 1
1115 . 1 1 116 116 VAL CB C 13 35.200 0.142 . 1 . . . . 116 V CB . 17833 1
1116 . 1 1 116 116 VAL CG1 C 13 22.229 0.166 . 2 . . . . 116 V CG1 . 17833 1
1117 . 1 1 116 116 VAL CG2 C 13 24.306 0.150 . 2 . . . . 116 V CG2 . 17833 1
1118 . 1 1 116 116 VAL N N 15 126.119 0.043 . 1 . . . . 116 V N . 17833 1
1119 . 1 1 117 117 LYS H H 1 9.009 0.003 . 1 . . . . 117 K H . 17833 1
1120 . 1 1 117 117 LYS HA H 1 4.979 0.010 . 1 . . . . 117 K HA . 17833 1
1121 . 1 1 117 117 LYS HB2 H 1 1.765 0.007 . 2 . . . . 117 K HB2 . 17833 1
1122 . 1 1 117 117 LYS HB3 H 1 1.577 0.005 . 2 . . . . 117 K HB3 . 17833 1
1123 . 1 1 117 117 LYS HG2 H 1 1.355 0.007 . 2 . . . . 117 K HG2 . 17833 1
1124 . 1 1 117 117 LYS HG3 H 1 1.354 0.006 . 2 . . . . 117 K HG3 . 17833 1
1125 . 1 1 117 117 LYS HD2 H 1 1.686 0.007 . 2 . . . . 117 K HD2 . 17833 1
1126 . 1 1 117 117 LYS HD3 H 1 1.686 0.006 . 2 . . . . 117 K HD3 . 17833 1
1127 . 1 1 117 117 LYS HE2 H 1 2.954 0.004 . 2 . . . . 117 K HE2 . 17833 1
1128 . 1 1 117 117 LYS HE3 H 1 2.954 0.004 . 2 . . . . 117 K HE3 . 17833 1
1129 . 1 1 117 117 LYS C C 13 174.001 0.002 . 1 . . . . 117 K C . 17833 1
1130 . 1 1 117 117 LYS CA C 13 54.440 0.123 . 1 . . . . 117 K CA . 17833 1
1131 . 1 1 117 117 LYS CB C 13 35.556 0.152 . 1 . . . . 117 K CB . 17833 1
1132 . 1 1 117 117 LYS CG C 13 24.841 0.187 . 1 . . . . 117 K CG . 17833 1
1133 . 1 1 117 117 LYS CD C 13 28.883 0.220 . 1 . . . . 117 K CD . 17833 1
1134 . 1 1 117 117 LYS CE C 13 42.151 0.209 . 1 . . . . 117 K CE . 17833 1
1135 . 1 1 117 117 LYS N N 15 129.497 0.051 . 1 . . . . 117 K N . 17833 1
1136 . 1 1 118 118 ILE H H 1 9.166 0.009 . 1 . . . . 118 I H . 17833 1
1137 . 1 1 118 118 ILE HA H 1 4.898 0.007 . 1 . . . . 118 I HA . 17833 1
1138 . 1 1 118 118 ILE HB H 1 1.890 0.007 . 1 . . . . 118 I HB . 17833 1
1139 . 1 1 118 118 ILE HG12 H 1 1.451 0.006 . 2 . . . . 118 I HG12 . 17833 1
1140 . 1 1 118 118 ILE HG13 H 1 1.262 0.010 . 2 . . . . 118 I HG13 . 17833 1
1141 . 1 1 118 118 ILE HG21 H 1 0.690 0.005 . 2 . . . . 118 I HG2 . 17833 1
1142 . 1 1 118 118 ILE HG22 H 1 0.690 0.005 . 2 . . . . 118 I HG2 . 17833 1
1143 . 1 1 118 118 ILE HG23 H 1 0.690 0.005 . 2 . . . . 118 I HG2 . 17833 1
1144 . 1 1 118 118 ILE HD11 H 1 0.623 0.006 . 2 . . . . 118 I HD1 . 17833 1
1145 . 1 1 118 118 ILE HD12 H 1 0.623 0.006 . 2 . . . . 118 I HD1 . 17833 1
1146 . 1 1 118 118 ILE HD13 H 1 0.623 0.006 . 2 . . . . 118 I HD1 . 17833 1
1147 . 1 1 118 118 ILE C C 13 176.460 0.003 . 1 . . . . 118 I C . 17833 1
1148 . 1 1 118 118 ILE CA C 13 58.980 0.080 . 1 . . . . 118 I CA . 17833 1
1149 . 1 1 118 118 ILE CB C 13 37.616 0.175 . 1 . . . . 118 I CB . 17833 1
1150 . 1 1 118 118 ILE CG1 C 13 28.269 0.199 . 1 . . . . 118 I CG1 . 17833 1
1151 . 1 1 118 118 ILE CG2 C 13 18.026 0.139 . 1 . . . . 118 I CG2 . 17833 1
1152 . 1 1 118 118 ILE CD1 C 13 12.295 0.194 . 1 . . . . 118 I CD1 . 17833 1
1153 . 1 1 118 118 ILE N N 15 126.646 0.047 . 1 . . . . 118 I N . 17833 1
1154 . 1 1 119 119 THR H H 1 8.491 0.003 . 1 . . . . 119 T H . 17833 1
1155 . 1 1 119 119 THR HA H 1 4.304 0.007 . 1 . . . . 119 T HA . 17833 1
1156 . 1 1 119 119 THR HB H 1 4.181 0.003 . 1 . . . . 119 T HB . 17833 1
1157 . 1 1 119 119 THR HG21 H 1 1.137 0.004 . 2 . . . . 119 T HG2 . 17833 1
1158 . 1 1 119 119 THR HG22 H 1 1.137 0.004 . 2 . . . . 119 T HG2 . 17833 1
1159 . 1 1 119 119 THR HG23 H 1 1.137 0.004 . 2 . . . . 119 T HG2 . 17833 1
1160 . 1 1 119 119 THR C C 13 178.657 0.000 . 1 . . . . 119 T C . 17833 1
1161 . 1 1 119 119 THR CA C 13 62.764 0.126 . 1 . . . . 119 T CA . 17833 1
1162 . 1 1 119 119 THR CB C 13 71.373 0.181 . 1 . . . . 119 T CB . 17833 1
1163 . 1 1 119 119 THR CG2 C 13 22.097 0.186 . 1 . . . . 119 T CG2 . 17833 1
1164 . 1 1 119 119 THR N N 15 125.938 0.049 . 1 . . . . 119 T N . 17833 1
stop_
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