Content for NMR-STAR saveframe, "assigned_chem_shift_list"
save_assigned_chem_shift_list
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list
_Assigned_chem_shift_list.Entry_ID 18702
_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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4b8t/ebi/finale-chemical-shift-vuoto.txt.csh'
_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 Experiment-1 1 $sample_1 solution 18702 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 4 4 ALA HA H 1 4.299 0.001 . . . . . . 4 A HA . 18702 1
2 . 1 1 4 4 ALA HB1 H 1 1.294 0.005 . . . . . . 4 A QB . 18702 1
3 . 1 1 4 4 ALA HB2 H 1 1.294 0.005 . . . . . . 4 A QB . 18702 1
4 . 1 1 4 4 ALA HB3 H 1 1.294 0.005 . . . . . . 4 A QB . 18702 1
5 . 1 1 4 4 ALA CA C 13 52.214 0.005 . . . . . . 4 A CA . 18702 1
6 . 1 1 4 4 ALA CB C 13 19.291 0.005 . . . . . . 4 A CB . 18702 1
7 . 1 1 5 5 TYR HA H 1 4.516 0.001 . . . . . . 5 Y HA . 18702 1
8 . 1 1 5 5 TYR HB2 H 1 3.054 0.002 . . . . . . 5 Y HB2 . 18702 1
9 . 1 1 5 5 TYR HB3 H 1 2.937 0.004 . . . . . . 5 Y HB3 . 18702 1
10 . 1 1 5 5 TYR HD1 H 1 7.093 0.004 . . . . . . 5 Y QD . 18702 1
11 . 1 1 5 5 TYR HD2 H 1 7.093 0.004 . . . . . . 5 Y QD . 18702 1
12 . 1 1 5 5 TYR CA C 13 58.143 0.079 . . . . . . 5 Y CA . 18702 1
13 . 1 1 5 5 TYR CB C 13 38.881 0.023 . . . . . . 5 Y CB . 18702 1
14 . 1 1 8 8 ARG HA H 1 4.432 0.006 . . . . . . 8 R HA . 18702 1
15 . 1 1 8 8 ARG HB2 H 1 1.859 0.007 . . . . . . 8 R HB2 . 18702 1
16 . 1 1 8 8 ARG HB3 H 1 1.745 0.004 . . . . . . 8 R HB3 . 18702 1
17 . 1 1 8 8 ARG HG2 H 1 1.605 0.002 . . . . . . 8 R QG . 18702 1
18 . 1 1 8 8 ARG HG3 H 1 1.605 0.002 . . . . . . 8 R QG . 18702 1
19 . 1 1 8 8 ARG HD2 H 1 3.181 0.006 . . . . . . 8 R QD . 18702 1
20 . 1 1 8 8 ARG HD3 H 1 3.181 0.006 . . . . . . 8 R QD . 18702 1
21 . 1 1 8 8 ARG CA C 13 56.211 0.005 . . . . . . 8 R CA . 18702 1
22 . 1 1 8 8 ARG CB C 13 30.706 0.033 . . . . . . 8 R CB . 18702 1
23 . 1 1 8 8 ARG CD C 13 43.318 0.002 . . . . . . 8 R CD . 18702 1
24 . 1 1 9 9 ILE HA H 1 4.200 0.003 . . . . . . 9 I HA . 18702 1
25 . 1 1 9 9 ILE HB H 1 1.825 0.006 . . . . . . 9 I HB . 18702 1
26 . 1 1 9 9 ILE HG12 H 1 1.435 0.004 . . . . . . 9 I HG12 . 18702 1
27 . 1 1 9 9 ILE HG13 H 1 1.131 0.006 . . . . . . 9 I HG13 . 18702 1
28 . 1 1 9 9 ILE HG21 H 1 0.870 0.004 . . . . . . 9 I QG2 . 18702 1
29 . 1 1 9 9 ILE HG22 H 1 0.870 0.004 . . . . . . 9 I QG2 . 18702 1
30 . 1 1 9 9 ILE HG23 H 1 0.870 0.004 . . . . . . 9 I QG2 . 18702 1
31 . 1 1 9 9 ILE HD11 H 1 0.827 0.005 . . . . . . 9 I QD1 . 18702 1
32 . 1 1 9 9 ILE HD12 H 1 0.827 0.005 . . . . . . 9 I QD1 . 18702 1
33 . 1 1 9 9 ILE HD13 H 1 0.827 0.005 . . . . . . 9 I QD1 . 18702 1
34 . 1 1 9 9 ILE CA C 13 61.180 0.058 . . . . . . 9 I CA . 18702 1
35 . 1 1 9 9 ILE CB C 13 38.884 0.046 . . . . . . 9 I CB . 18702 1
36 . 1 1 9 9 ILE CG1 C 13 27.295 0.034 . . . . . . 9 I CG1 . 18702 1
37 . 1 1 9 9 ILE CG2 C 13 17.332 0.028 . . . . . . 9 I CG2 . 18702 1
38 . 1 1 9 9 ILE CD1 C 13 12.913 0.009 . . . . . . 9 I CD1 . 18702 1
39 . 1 1 10 10 GLY HA2 H 1 4.056 0.002 . . . . . . 10 G HA2 . 18702 1
40 . 1 1 10 10 GLY HA3 H 1 4.168 0.010 . . . . . . 10 G HA3 . 18702 1
41 . 1 1 10 10 GLY CA C 13 44.311 0.009 . . . . . . 10 G CA . 18702 1
42 . 1 1 12 12 GLY HA2 H 1 4.286 0.006 . . . . . . 12 G HA2 . 18702 1
43 . 1 1 12 12 GLY HA3 H 1 4.423 0.005 . . . . . . 12 G HA3 . 18702 1
44 . 1 1 12 12 GLY CA C 13 45.909 0.063 . . . . . . 12 G CA . 18702 1
45 . 1 1 13 13 ILE H H 1 8.491 0.005 . . . . . . 13 I HN . 18702 1
46 . 1 1 13 13 ILE HA H 1 4.712 0.004 . . . . . . 13 I HA . 18702 1
47 . 1 1 13 13 ILE HB H 1 1.638 0.008 . . . . . . 13 I HB . 18702 1
48 . 1 1 13 13 ILE HG12 H 1 1.275 0.011 . . . . . . 13 I HG12 . 18702 1
49 . 1 1 13 13 ILE HG13 H 1 0.840 0.004 . . . . . . 13 I HG13 . 18702 1
50 . 1 1 13 13 ILE HG21 H 1 0.815 0.004 . . . . . . 13 I QG2 . 18702 1
51 . 1 1 13 13 ILE HG22 H 1 0.815 0.004 . . . . . . 13 I QG2 . 18702 1
52 . 1 1 13 13 ILE HG23 H 1 0.815 0.004 . . . . . . 13 I QG2 . 18702 1
53 . 1 1 13 13 ILE HD11 H 1 0.633 0.005 . . . . . . 13 I QD1 . 18702 1
54 . 1 1 13 13 ILE HD12 H 1 0.633 0.005 . . . . . . 13 I QD1 . 18702 1
55 . 1 1 13 13 ILE HD13 H 1 0.633 0.005 . . . . . . 13 I QD1 . 18702 1
56 . 1 1 13 13 ILE CB C 13 42.565 0.030 . . . . . . 13 I CB . 18702 1
57 . 1 1 13 13 ILE CG1 C 13 26.644 0.037 . . . . . . 13 I CG1 . 18702 1
58 . 1 1 13 13 ILE CG2 C 13 17.626 0.017 . . . . . . 13 I CG2 . 18702 1
59 . 1 1 13 13 ILE CD1 C 13 13.432 0.028 . . . . . . 13 I CD1 . 18702 1
60 . 1 1 14 14 ASP H H 1 8.448 0.009 . . . . . . 14 D HN . 18702 1
61 . 1 1 14 14 ASP HA H 1 5.537 0.002 . . . . . . 14 D HA . 18702 1
62 . 1 1 14 14 ASP HB2 H 1 2.558 0.003 . . . . . . 14 D HB2 . 18702 1
63 . 1 1 14 14 ASP HB3 H 1 2.320 0.002 . . . . . . 14 D HB3 . 18702 1
64 . 1 1 14 14 ASP CA C 13 52.854 0.046 . . . . . . 14 D CA . 18702 1
65 . 1 1 14 14 ASP CB C 13 42.651 0.023 . . . . . . 14 D CB . 18702 1
66 . 1 1 15 15 VAL H H 1 9.227 0.006 . . . . . . 15 V HN . 18702 1
67 . 1 1 15 15 VAL HA H 1 4.627 0.007 . . . . . . 15 V HA . 18702 1
68 . 1 1 15 15 VAL HB H 1 1.930 0.003 . . . . . . 15 V HB . 18702 1
69 . 1 1 15 15 VAL HG11 H 1 0.802 0.008 . . . . . . 15 V QG1 . 18702 1
70 . 1 1 15 15 VAL HG12 H 1 0.802 0.008 . . . . . . 15 V QG1 . 18702 1
71 . 1 1 15 15 VAL HG13 H 1 0.802 0.008 . . . . . . 15 V QG1 . 18702 1
72 . 1 1 15 15 VAL HG21 H 1 0.832 0.004 . . . . . . 15 V QG2 . 18702 1
73 . 1 1 15 15 VAL HG22 H 1 0.832 0.004 . . . . . . 15 V QG2 . 18702 1
74 . 1 1 15 15 VAL HG23 H 1 0.832 0.004 . . . . . . 15 V QG2 . 18702 1
75 . 1 1 15 15 VAL CA C 13 58.630 0.044 . . . . . . 15 V CA . 18702 1
76 . 1 1 15 15 VAL CB C 13 35.211 0.041 . . . . . . 15 V CB . 18702 1
77 . 1 1 15 15 VAL CG1 C 13 21.639 0.076 . . . . . . 15 V CG1 . 18702 1
78 . 1 1 15 15 VAL CG2 C 13 20.628 0.045 . . . . . . 15 V CG2 . 18702 1
79 . 1 1 16 16 PRO HA H 1 4.776 0.004 . . . . . . 16 P HA . 18702 1
80 . 1 1 16 16 PRO HB2 H 1 1.964 0.005 . . . . . . 16 P HB2 . 18702 1
81 . 1 1 16 16 PRO HB3 H 1 1.745 0.003 . . . . . . 16 P HB3 . 18702 1
82 . 1 1 16 16 PRO HG2 H 1 2.149 0.003 . . . . . . 16 P HG2 . 18702 1
83 . 1 1 16 16 PRO HG3 H 1 1.926 0.004 . . . . . . 16 P HG3 . 18702 1
84 . 1 1 16 16 PRO HD2 H 1 3.788 0.006 . . . . . . 16 P HD2 . 18702 1
85 . 1 1 16 16 PRO HD3 H 1 3.744 0.006 . . . . . . 16 P HD3 . 18702 1
86 . 1 1 16 16 PRO CB C 13 32.021 0.061 . . . . . . 16 P CB . 18702 1
87 . 1 1 16 16 PRO CG C 13 27.115 0.043 . . . . . . 16 P CG . 18702 1
88 . 1 1 16 16 PRO CD C 13 51.008 0.054 . . . . . . 16 P CD . 18702 1
89 . 1 1 17 17 VAL H H 1 9.135 0.004 . . . . . . 17 V HN . 18702 1
90 . 1 1 17 17 VAL HA H 1 4.541 0.003 . . . . . . 17 V HA . 18702 1
91 . 1 1 17 17 VAL HB H 1 2.044 0.005 . . . . . . 17 V HB . 18702 1
92 . 1 1 17 17 VAL HG11 H 1 0.962 0.005 . . . . . . 17 V QG1 . 18702 1
93 . 1 1 17 17 VAL HG12 H 1 0.962 0.005 . . . . . . 17 V QG1 . 18702 1
94 . 1 1 17 17 VAL HG13 H 1 0.962 0.005 . . . . . . 17 V QG1 . 18702 1
95 . 1 1 17 17 VAL HG21 H 1 0.869 0.003 . . . . . . 17 V QG2 . 18702 1
96 . 1 1 17 17 VAL HG22 H 1 0.869 0.003 . . . . . . 17 V QG2 . 18702 1
97 . 1 1 17 17 VAL HG23 H 1 0.869 0.003 . . . . . . 17 V QG2 . 18702 1
98 . 1 1 17 17 VAL CA C 13 58.578 0.026 . . . . . . 17 V CA . 18702 1
99 . 1 1 17 17 VAL CB C 13 35.736 0.041 . . . . . . 17 V CB . 18702 1
100 . 1 1 17 17 VAL CG1 C 13 21.178 0.027 . . . . . . 17 V CG1 . 18702 1
101 . 1 1 17 17 VAL CG2 C 13 21.217 0.024 . . . . . . 17 V CG2 . 18702 1
102 . 1 1 18 18 PRO HA H 1 4.427 0.004 . . . . . . 18 P HA . 18702 1
103 . 1 1 18 18 PRO HB2 H 1 2.298 0.007 . . . . . . 18 P HB2 . 18702 1
104 . 1 1 18 18 PRO HB3 H 1 1.359 0.005 . . . . . . 18 P HB3 . 18702 1
105 . 1 1 18 18 PRO HG2 H 1 2.080 0.004 . . . . . . 18 P QG . 18702 1
106 . 1 1 18 18 PRO HG3 H 1 2.080 0.004 . . . . . . 18 P QG . 18702 1
107 . 1 1 18 18 PRO HD2 H 1 3.977 0.003 . . . . . . 18 P HD2 . 18702 1
108 . 1 1 18 18 PRO HD3 H 1 3.420 0.006 . . . . . . 18 P HD3 . 18702 1
109 . 1 1 18 18 PRO CA C 13 63.452 0.069 . . . . . . 18 P CA . 18702 1
110 . 1 1 18 18 PRO CB C 13 31.772 0.041 . . . . . . 18 P CB . 18702 1
111 . 1 1 18 18 PRO CG C 13 27.937 0.042 . . . . . . 18 P CG . 18702 1
112 . 1 1 18 18 PRO CD C 13 51.546 0.042 . . . . . . 18 P CD . 18702 1
113 . 1 1 19 19 ARG H H 1 8.641 0.006 . . . . . . 19 R HN . 18702 1
114 . 1 1 19 19 ARG HA H 1 3.743 0.003 . . . . . . 19 R HA . 18702 1
115 . 1 1 19 19 ARG HB2 H 1 1.720 0.004 . . . . . . 19 R HB2 . 18702 1
116 . 1 1 19 19 ARG HB3 H 1 1.663 0.005 . . . . . . 19 R HB3 . 18702 1
117 . 1 1 19 19 ARG HG2 H 1 1.492 0.002 . . . . . . 19 R HG2 . 18702 1
118 . 1 1 19 19 ARG HG3 H 1 1.374 0.005 . . . . . . 19 R HG3 . 18702 1
119 . 1 1 19 19 ARG HD2 H 1 3.313 0.003 . . . . . . 19 R HD2 . 18702 1
120 . 1 1 19 19 ARG HD3 H 1 3.112 0.002 . . . . . . 19 R HD3 . 18702 1
121 . 1 1 19 19 ARG CA C 13 60.633 0.056 . . . . . . 19 R CA . 18702 1
122 . 1 1 19 19 ARG CB C 13 29.860 0.012 . . . . . . 19 R CB . 18702 1
123 . 1 1 19 19 ARG CG C 13 28.678 0.033 . . . . . . 19 R CG . 18702 1
124 . 1 1 19 19 ARG CD C 13 42.620 0.028 . . . . . . 19 R CD . 18702 1
125 . 1 1 20 20 HIS HA H 1 4.634 0.005 . . . . . . 20 H HA . 18702 1
126 . 1 1 20 20 HIS HB2 H 1 3.261 0.004 . . . . . . 20 H HB2 . 18702 1
127 . 1 1 20 20 HIS HB3 H 1 3.184 0.005 . . . . . . 20 H HB3 . 18702 1
128 . 1 1 20 20 HIS HD2 H 1 7.124 0.007 . . . . . . 20 H HD2 . 18702 1
129 . 1 1 20 20 HIS CA C 13 57.097 0.029 . . . . . . 20 H CA . 18702 1
130 . 1 1 20 20 HIS CB C 13 29.801 0.059 . . . . . . 20 H CB . 18702 1
131 . 1 1 21 21 SER H H 1 7.926 0.013 . . . . . . 21 S HN . 18702 1
132 . 1 1 21 21 SER HA H 1 4.768 0.008 . . . . . . 21 S HA . 18702 1
133 . 1 1 21 21 SER HB2 H 1 3.858 0.007 . . . . . . 21 S HB2 . 18702 1
134 . 1 1 21 21 SER HB3 H 1 3.456 0.014 . . . . . . 21 S HB3 . 18702 1
135 . 1 1 21 21 SER CB C 13 65.022 0.051 . . . . . . 21 S CB . 18702 1
136 . 1 1 22 22 VAL H H 1 7.104 0.009 . . . . . . 22 V HN . 18702 1
137 . 1 1 22 22 VAL HA H 1 2.997 0.005 . . . . . . 22 V HA . 18702 1
138 . 1 1 22 22 VAL HB H 1 1.565 0.002 . . . . . . 22 V HB . 18702 1
139 . 1 1 22 22 VAL HG11 H 1 0.674 0.005 . . . . . . 22 V QG1 . 18702 1
140 . 1 1 22 22 VAL HG12 H 1 0.674 0.005 . . . . . . 22 V QG1 . 18702 1
141 . 1 1 22 22 VAL HG13 H 1 0.674 0.005 . . . . . . 22 V QG1 . 18702 1
142 . 1 1 22 22 VAL HG21 H 1 0.360 0.586 . . . . . . 22 V QG2 . 18702 1
143 . 1 1 22 22 VAL HG22 H 1 0.360 0.586 . . . . . . 22 V QG2 . 18702 1
144 . 1 1 22 22 VAL HG23 H 1 0.360 0.586 . . . . . . 22 V QG2 . 18702 1
145 . 1 1 22 22 VAL CA C 13 66.839 0.039 . . . . . . 22 V CA . 18702 1
146 . 1 1 22 22 VAL CB C 13 31.594 0.026 . . . . . . 22 V CB . 18702 1
147 . 1 1 22 22 VAL CG1 C 13 23.900 0.032 . . . . . . 22 V CG1 . 18702 1
148 . 1 1 22 22 VAL CG2 C 13 20.125 0.005 . . . . . . 22 V CG2 . 18702 1
149 . 1 1 23 23 GLY H H 1 8.499 0.003 . . . . . . 23 G HN . 18702 1
150 . 1 1 23 23 GLY HA2 H 1 3.553 0.004 . . . . . . 23 G HA2 . 18702 1
151 . 1 1 23 23 GLY HA3 H 1 3.814 0.002 . . . . . . 23 G HA3 . 18702 1
152 . 1 1 23 23 GLY CA C 13 46.838 0.022 . . . . . . 23 G CA . 18702 1
153 . 1 1 24 24 VAL H H 1 7.159 0.004 . . . . . . 24 V HN . 18702 1
154 . 1 1 24 24 VAL HA H 1 3.648 0.003 . . . . . . 24 V HA . 18702 1
155 . 1 1 24 24 VAL HB H 1 2.023 0.004 . . . . . . 24 V HB . 18702 1
156 . 1 1 24 24 VAL HG11 H 1 0.816 0.002 . . . . . . 24 V QG1 . 18702 1
157 . 1 1 24 24 VAL HG12 H 1 0.816 0.002 . . . . . . 24 V QG1 . 18702 1
158 . 1 1 24 24 VAL HG13 H 1 0.816 0.002 . . . . . . 24 V QG1 . 18702 1
159 . 1 1 24 24 VAL HG21 H 1 0.834 0.002 . . . . . . 24 V QG2 . 18702 1
160 . 1 1 24 24 VAL HG22 H 1 0.834 0.002 . . . . . . 24 V QG2 . 18702 1
161 . 1 1 24 24 VAL HG23 H 1 0.834 0.002 . . . . . . 24 V QG2 . 18702 1
162 . 1 1 24 24 VAL CA C 13 64.752 0.046 . . . . . . 24 V CA . 18702 1
163 . 1 1 24 24 VAL CB C 13 31.776 0.036 . . . . . . 24 V CB . 18702 1
164 . 1 1 24 24 VAL CG1 C 13 21.877 0.042 . . . . . . 24 V CG1 . 18702 1
165 . 1 1 24 24 VAL CG2 C 13 21.073 0.062 . . . . . . 24 V CG2 . 18702 1
166 . 1 1 25 25 VAL H H 1 6.857 0.005 . . . . . . 25 V HN . 18702 1
167 . 1 1 25 25 VAL HA H 1 3.290 0.003 . . . . . . 25 V HA . 18702 1
168 . 1 1 25 25 VAL HB H 1 1.975 0.317 . . . . . . 25 V HB . 18702 1
169 . 1 1 25 25 VAL HG11 H 1 0.912 0.005 . . . . . . 25 V QG1 . 18702 1
170 . 1 1 25 25 VAL HG12 H 1 0.912 0.005 . . . . . . 25 V QG1 . 18702 1
171 . 1 1 25 25 VAL HG13 H 1 0.912 0.005 . . . . . . 25 V QG1 . 18702 1
172 . 1 1 25 25 VAL HG21 H 1 0.787 0.003 . . . . . . 25 V QG2 . 18702 1
173 . 1 1 25 25 VAL HG22 H 1 0.787 0.003 . . . . . . 25 V QG2 . 18702 1
174 . 1 1 25 25 VAL HG23 H 1 0.787 0.003 . . . . . . 25 V QG2 . 18702 1
175 . 1 1 25 25 VAL CA C 13 65.371 0.047 . . . . . . 25 V CA . 18702 1
176 . 1 1 25 25 VAL CB C 13 30.509 2.944 . . . . . . 25 V CB . 18702 1
177 . 1 1 25 25 VAL CG1 C 13 23.377 0.022 . . . . . . 25 V CG1 . 18702 1
178 . 1 1 25 25 VAL CG2 C 13 21.223 0.056 . . . . . . 25 V CG2 . 18702 1
179 . 1 1 26 26 ILE H H 1 7.410 0.006 . . . . . . 26 I HN . 18702 1
180 . 1 1 26 26 ILE HA H 1 3.495 0.005 . . . . . . 26 I HA . 18702 1
181 . 1 1 26 26 ILE HB H 1 1.571 0.003 . . . . . . 26 I HB . 18702 1
182 . 1 1 26 26 ILE HG12 H 1 1.234 0.006 . . . . . . 26 I HG12 . 18702 1
183 . 1 1 26 26 ILE HG13 H 1 0.406 0.010 . . . . . . 26 I HG13 . 18702 1
184 . 1 1 26 26 ILE HG21 H 1 -0.019 0.004 . . . . . . 26 I QG2 . 18702 1
185 . 1 1 26 26 ILE HG22 H 1 -0.019 0.004 . . . . . . 26 I QG2 . 18702 1
186 . 1 1 26 26 ILE HG23 H 1 -0.019 0.004 . . . . . . 26 I QG2 . 18702 1
187 . 1 1 26 26 ILE HD11 H 1 0.953 0.004 . . . . . . 26 I QD1 . 18702 1
188 . 1 1 26 26 ILE HD12 H 1 0.953 0.004 . . . . . . 26 I QD1 . 18702 1
189 . 1 1 26 26 ILE HD13 H 1 0.953 0.004 . . . . . . 26 I QD1 . 18702 1
190 . 1 1 26 26 ILE CA C 13 64.183 0.043 . . . . . . 26 I CA . 18702 1
191 . 1 1 26 26 ILE CB C 13 38.497 0.028 . . . . . . 26 I CB . 18702 1
192 . 1 1 26 26 ILE CG1 C 13 28.877 0.022 . . . . . . 26 I CG1 . 18702 1
193 . 1 1 26 26 ILE CG2 C 13 12.51 0.026 . . . . . . 26 I CG2 . 18702 1
194 . 1 1 26 26 ILE CD1 C 13 18.562 0.017 . . . . . . 26 I CD1 . 18702 1
195 . 1 1 27 27 GLY H H 1 8.108 0.008 . . . . . . 27 G HN . 18702 1
196 . 1 1 27 27 GLY HA2 H 1 3.791 0.003 . . . . . . 27 G HA2 . 18702 1
197 . 1 1 27 27 GLY HA3 H 1 4.023 0.005 . . . . . . 27 G HA3 . 18702 1
198 . 1 1 27 27 GLY CA C 13 43.591 0.033 . . . . . . 27 G CA . 18702 1
199 . 1 1 28 28 ARG H H 1 8.901 0.010 . . . . . . 28 R HN . 18702 1
200 . 1 1 28 28 ARG HA H 1 4.176 0.002 . . . . . . 28 R HA . 18702 1
201 . 1 1 28 28 ARG HB2 H 1 1.873 0.007 . . . . . . 28 R QB . 18702 1
202 . 1 1 28 28 ARG HB3 H 1 1.873 0.007 . . . . . . 28 R QB . 18702 1
203 . 1 1 28 28 ARG HG2 H 1 1.710 0.005 . . . . . . 28 R QG . 18702 1
204 . 1 1 28 28 ARG HG3 H 1 1.710 0.005 . . . . . . 28 R QG . 18702 1
205 . 1 1 28 28 ARG HD2 H 1 3.266 0.005 . . . . . . 28 R QD . 18702 1
206 . 1 1 28 28 ARG HD3 H 1 3.266 0.005 . . . . . . 28 R QD . 18702 1
207 . 1 1 28 28 ARG CA C 13 58.176 0.005 . . . . . . 28 R CA . 18702 1
208 . 1 1 28 28 ARG CB C 13 29.366 0.005 . . . . . . 28 R CB . 18702 1
209 . 1 1 28 28 ARG CD C 13 43.499 0.005 . . . . . . 28 R CD . 18702 1
210 . 1 1 29 29 SER HA H 1 4.225 0.005 . . . . . . 29 S HA . 18702 1
211 . 1 1 29 29 SER HB2 H 1 4.242 0.002 . . . . . . 29 S HB2 . 18702 1
212 . 1 1 29 29 SER HB3 H 1 4.012 0.001 . . . . . . 29 S HB3 . 18702 1
213 . 1 1 29 29 SER CA C 13 59.145 0.005 . . . . . . 29 S CA . 18702 1
214 . 1 1 29 29 SER CB C 13 62.518 0.007 . . . . . . 29 S CB . 18702 1
215 . 1 1 30 30 GLY H H 1 8.161 0.005 . . . . . . 30 G HN . 18702 1
216 . 1 1 30 30 GLY HA2 H 1 3.948 0.002 . . . . . . 30 G HA2 . 18702 1
217 . 1 1 30 30 GLY HA3 H 1 3.978 0.004 . . . . . . 30 G HA3 . 18702 1
218 . 1 1 30 30 GLY CA C 13 46.352 0.005 . . . . . . 30 G CA . 18702 1
219 . 1 1 31 31 GLU HA H 1 3.934 0.006 . . . . . . 31 E HA . 18702 1
220 . 1 1 31 31 GLU HB2 H 1 2.140 0.021 . . . . . . 31 E HB2 . 18702 1
221 . 1 1 31 31 GLU HB3 H 1 2.088 0.005 . . . . . . 31 E HB3 . 18702 1
222 . 1 1 31 31 GLU HG2 H 1 2.395 0.004 . . . . . . 31 E QG . 18702 1
223 . 1 1 31 31 GLU HG3 H 1 2.395 0.004 . . . . . . 31 E QG . 18702 1
224 . 1 1 31 31 GLU CA C 13 59.669 0.024 . . . . . . 31 E CA . 18702 1
225 . 1 1 31 31 GLU CB C 13 29.782 0.002 . . . . . . 31 E CB . 18702 1
226 . 1 1 31 31 GLU CG C 13 35.931 0.002 . . . . . . 31 E CG . 18702 1
227 . 1 1 32 32 MET H H 1 7.879 0.005 . . . . . . 32 M HN . 18702 1
228 . 1 1 32 32 MET HA H 1 4.749 0.003 . . . . . . 32 M HA . 18702 1
229 . 1 1 32 32 MET HB2 H 1 1.845 0.002 . . . . . . 32 M HB2 . 18702 1
230 . 1 1 32 32 MET HB3 H 1 1.824 0.005 . . . . . . 32 M HB3 . 18702 1
231 . 1 1 32 32 MET HG2 H 1 2.829 0.005 . . . . . . 32 M HG2 . 18702 1
232 . 1 1 32 32 MET HG3 H 1 2.379 0.006 . . . . . . 32 M HG3 . 18702 1
233 . 1 1 32 32 MET HE1 H 1 2.042 0.003 . . . . . . 32 M QE . 18702 1
234 . 1 1 32 32 MET HE2 H 1 2.042 0.003 . . . . . . 32 M QE . 18702 1
235 . 1 1 32 32 MET HE3 H 1 2.042 0.003 . . . . . . 32 M QE . 18702 1
236 . 1 1 32 32 MET CB C 13 30.402 0.034 . . . . . . 32 M CB . 18702 1
237 . 1 1 32 32 MET CG C 13 32.929 0.056 . . . . . . 32 M CG . 18702 1
238 . 1 1 32 32 MET CE C 13 17.348 0.046 . . . . . . 32 M CE . 18702 1
239 . 1 1 33 33 ILE H H 1 8.261 0.008 . . . . . . 33 I HN . 18702 1
240 . 1 1 33 33 ILE HA H 1 3.938 0.004 . . . . . . 33 I HA . 18702 1
241 . 1 1 33 33 ILE HB H 1 2.074 0.004 . . . . . . 33 I HB . 18702 1
242 . 1 1 33 33 ILE HG12 H 1 1.330 0.004 . . . . . . 33 I HG12 . 18702 1
243 . 1 1 33 33 ILE HG13 H 1 1.016 0.008 . . . . . . 33 I HG13 . 18702 1
244 . 1 1 33 33 ILE HG21 H 1 0.994 0.006 . . . . . . 33 I QG2 . 18702 1
245 . 1 1 33 33 ILE HG22 H 1 0.994 0.006 . . . . . . 33 I QG2 . 18702 1
246 . 1 1 33 33 ILE HG23 H 1 0.994 0.006 . . . . . . 33 I QG2 . 18702 1
247 . 1 1 33 33 ILE HD11 H 1 0.505 0.006 . . . . . . 33 I QD1 . 18702 1
248 . 1 1 33 33 ILE HD12 H 1 0.505 0.006 . . . . . . 33 I QD1 . 18702 1
249 . 1 1 33 33 ILE HD13 H 1 0.505 0.006 . . . . . . 33 I QD1 . 18702 1
250 . 1 1 33 33 ILE CA C 13 64.534 0.034 . . . . . . 33 I CA . 18702 1
251 . 1 1 33 33 ILE CB C 13 37.885 0.062 . . . . . . 33 I CB . 18702 1
252 . 1 1 33 33 ILE CG1 C 13 30.257 0.039 . . . . . . 33 I CG1 . 18702 1
253 . 1 1 33 33 ILE CG2 C 13 17.378 0.022 . . . . . . 33 I CG2 . 18702 1
254 . 1 1 33 33 ILE CD1 C 13 14.817 0.037 . . . . . . 33 I CD1 . 18702 1
255 . 1 1 34 34 LYS H H 1 8.169 0.005 . . . . . . 34 K HN . 18702 1
256 . 1 1 34 34 LYS HA H 1 3.998 0.005 . . . . . . 34 K HA . 18702 1
257 . 1 1 34 34 LYS HB2 H 1 1.854 0.003 . . . . . . 34 K HB2 . 18702 1
258 . 1 1 34 34 LYS HB3 H 1 1.812 0.003 . . . . . . 34 K HB3 . 18702 1
259 . 1 1 34 34 LYS HG2 H 1 1.778 0.003 . . . . . . 34 K HG2 . 18702 1
260 . 1 1 34 34 LYS HG3 H 1 1.441 0.004 . . . . . . 34 K HG3 . 18702 1
261 . 1 1 34 34 LYS HD2 H 1 1.770 0.016 . . . . . . 34 K HD2 . 18702 1
262 . 1 1 34 34 LYS HD3 H 1 1.601 0.006 . . . . . . 34 K HD3 . 18702 1
263 . 1 1 34 34 LYS HE2 H 1 3.007 0.007 . . . . . . 34 K QE . 18702 1
264 . 1 1 34 34 LYS HE3 H 1 3.007 0.007 . . . . . . 34 K QE . 18702 1
265 . 1 1 34 34 LYS CA C 13 60.218 0.034 . . . . . . 34 K CA . 18702 1
266 . 1 1 34 34 LYS CB C 13 32.855 0.057 . . . . . . 34 K CB . 18702 1
267 . 1 1 34 34 LYS CG C 13 26.215 0.043 . . . . . . 34 K CG . 18702 1
268 . 1 1 34 34 LYS CD C 13 29.910 0.050 . . . . . . 34 K CD . 18702 1
269 . 1 1 34 34 LYS CE C 13 42.321 0.011 . . . . . . 34 K CE . 18702 1
270 . 1 1 35 35 LYS H H 1 7.224 0.007 . . . . . . 35 K HN . 18702 1
271 . 1 1 35 35 LYS HA H 1 4.123 0.002 . . . . . . 35 K HA . 18702 1
272 . 1 1 35 35 LYS HB2 H 1 2.287 0.005 . . . . . . 35 K HB2 . 18702 1
273 . 1 1 35 35 LYS HB3 H 1 2.002 0.004 . . . . . . 35 K HB3 . 18702 1
274 . 1 1 35 35 LYS HG2 H 1 1.563 0.003 . . . . . . 35 K HG2 . 18702 1
275 . 1 1 35 35 LYS HG3 H 1 1.373 0.004 . . . . . . 35 K HG3 . 18702 1
276 . 1 1 35 35 LYS HD2 H 1 1.779 0.005 . . . . . . 35 K HD2 . 18702 1
277 . 1 1 35 35 LYS HD3 H 1 1.695 0.004 . . . . . . 35 K HD3 . 18702 1
278 . 1 1 35 35 LYS HE2 H 1 3.082 0.006 . . . . . . 35 K HE2 . 18702 1
279 . 1 1 35 35 LYS HE3 H 1 3.012 0.003 . . . . . . 35 K HE3 . 18702 1
280 . 1 1 35 35 LYS CA C 13 59.880 0.040 . . . . . . 35 K CA . 18702 1
281 . 1 1 35 35 LYS CB C 13 32.268 0.042 . . . . . . 35 K CB . 18702 1
282 . 1 1 35 35 LYS CG C 13 24.947 0.040 . . . . . . 35 K CG . 18702 1
283 . 1 1 35 35 LYS CD C 13 29.519 0.036 . . . . . . 35 K CD . 18702 1
284 . 1 1 35 35 LYS CE C 13 42.379 0.039 . . . . . . 35 K CE . 18702 1
285 . 1 1 36 36 ILE H H 1 8.527 0.005 . . . . . . 36 I HN . 18702 1
286 . 1 1 36 36 ILE HA H 1 3.535 0.003 . . . . . . 36 I HA . 18702 1
287 . 1 1 36 36 ILE HB H 1 1.590 0.005 . . . . . . 36 I HB . 18702 1
288 . 1 1 36 36 ILE HG12 H 1 1.989 0.002 . . . . . . 36 I HG12 . 18702 1
289 . 1 1 36 36 ILE HG13 H 1 0.862 0.005 . . . . . . 36 I HG13 . 18702 1
290 . 1 1 36 36 ILE HG21 H 1 0.665 0.004 . . . . . . 36 I QG2 . 18702 1
291 . 1 1 36 36 ILE HG22 H 1 0.665 0.004 . . . . . . 36 I QG2 . 18702 1
292 . 1 1 36 36 ILE HG23 H 1 0.665 0.004 . . . . . . 36 I QG2 . 18702 1
293 . 1 1 36 36 ILE HD11 H 1 0.685 0.005 . . . . . . 36 I QD1 . 18702 1
294 . 1 1 36 36 ILE HD12 H 1 0.685 0.005 . . . . . . 36 I QD1 . 18702 1
295 . 1 1 36 36 ILE HD13 H 1 0.685 0.005 . . . . . . 36 I QD1 . 18702 1
296 . 1 1 36 36 ILE CA C 13 66.470 0.041 . . . . . . 36 I CA . 18702 1
297 . 1 1 36 36 ILE CB C 13 38.490 0.062 . . . . . . 36 I CB . 18702 1
298 . 1 1 36 36 ILE CG1 C 13 27.971 0.046 . . . . . . 36 I CG1 . 18702 1
299 . 1 1 36 36 ILE CG2 C 13 17.213 0.033 . . . . . . 36 I CG2 . 18702 1
300 . 1 1 36 36 ILE CD1 C 13 13.609 0.032 . . . . . . 36 I CD1 . 18702 1
301 . 1 1 37 37 GLN H H 1 8.300 0.008 . . . . . . 37 Q HN . 18702 1
302 . 1 1 37 37 GLN HA H 1 3.741 0.002 . . . . . . 37 Q HA . 18702 1
303 . 1 1 37 37 GLN HB2 H 1 2.340 0.004 . . . . . . 37 Q QB . 18702 1
304 . 1 1 37 37 GLN HB3 H 1 2.340 0.004 . . . . . . 37 Q QB . 18702 1
305 . 1 1 37 37 GLN HG2 H 1 2.894 0.005 . . . . . . 37 Q HG2 . 18702 1
306 . 1 1 37 37 GLN HG3 H 1 2.058 0.005 . . . . . . 37 Q HG3 . 18702 1
307 . 1 1 37 37 GLN HE21 H 1 7.622 0.005 . . . . . . 37 Q HE21 . 18702 1
308 . 1 1 37 37 GLN HE22 H 1 7.393 0.004 . . . . . . 37 Q HE22 . 18702 1
309 . 1 1 37 37 GLN CA C 13 60.243 0.019 . . . . . . 37 Q CA . 18702 1
310 . 1 1 37 37 GLN CB C 13 29.495 0.046 . . . . . . 37 Q CB . 18702 1
311 . 1 1 37 37 GLN CG C 13 37.073 0.045 . . . . . . 37 Q CG . 18702 1
312 . 1 1 38 38 ASN H H 1 8.116 0.004 . . . . . . 38 N HN . 18702 1
313 . 1 1 38 38 ASN HA H 1 4.536 0.003 . . . . . . 38 N HA . 18702 1
314 . 1 1 38 38 ASN HB2 H 1 2.932 0.003 . . . . . . 38 N QB . 18702 1
315 . 1 1 38 38 ASN HB3 H 1 2.932 0.003 . . . . . . 38 N QB . 18702 1
316 . 1 1 38 38 ASN HD21 H 1 7.709 0.005 . . . . . . 38 N HD21 . 18702 1
317 . 1 1 38 38 ASN HD22 H 1 6.917 0.005 . . . . . . 38 N HD22 . 18702 1
318 . 1 1 38 38 ASN CA C 13 55.916 0.051 . . . . . . 38 N CA . 18702 1
319 . 1 1 38 38 ASN CB C 13 38.857 0.037 . . . . . . 38 N CB . 18702 1
320 . 1 1 39 39 ASP H H 1 9.207 0.002 . . . . . . 39 D HN . 18702 1
321 . 1 1 39 39 ASP HA H 1 4.354 0.002 . . . . . . 39 D HA . 18702 1
322 . 1 1 39 39 ASP HB2 H 1 2.695 0.003 . . . . . . 39 D HB2 . 18702 1
323 . 1 1 39 39 ASP HB3 H 1 2.463 0.004 . . . . . . 39 D HB3 . 18702 1
324 . 1 1 39 39 ASP CA C 13 57.071 0.076 . . . . . . 39 D CA . 18702 1
325 . 1 1 39 39 ASP CB C 13 40.084 0.046 . . . . . . 39 D CB . 18702 1
326 . 1 1 40 40 ALA H H 1 8.061 0.006 . . . . . . 40 A HN . 18702 1
327 . 1 1 40 40 ALA HA H 1 4.530 0.003 . . . . . . 40 A HA . 18702 1
328 . 1 1 40 40 ALA HB1 H 1 1.194 0.004 . . . . . . 40 A QB . 18702 1
329 . 1 1 40 40 ALA HB2 H 1 1.194 0.004 . . . . . . 40 A QB . 18702 1
330 . 1 1 40 40 ALA HB3 H 1 1.194 0.004 . . . . . . 40 A QB . 18702 1
331 . 1 1 40 40 ALA CA C 13 51.648 0.043 . . . . . . 40 A CA . 18702 1
332 . 1 1 40 40 ALA CB C 13 20.066 0.023 . . . . . . 40 A CB . 18702 1
333 . 1 1 41 41 GLY H H 1 7.949 0.004 . . . . . . 41 G HN . 18702 1
334 . 1 1 41 41 GLY HA2 H 1 4.004 0.017 . . . . . . 41 G HA2 . 18702 1
335 . 1 1 41 41 GLY HA3 H 1 4.055 0.006 . . . . . . 41 G HA3 . 18702 1
336 . 1 1 41 41 GLY CA C 13 47.369 0.057 . . . . . . 41 G CA . 18702 1
337 . 1 1 42 42 VAL H H 1 7.620 0.001 . . . . . . 42 V HN . 18702 1
338 . 1 1 42 42 VAL HA H 1 4.959 0.005 . . . . . . 42 V HA . 18702 1
339 . 1 1 42 42 VAL HB H 1 2.141 0.005 . . . . . . 42 V HB . 18702 1
340 . 1 1 42 42 VAL HG11 H 1 0.562 0.006 . . . . . . 42 V QG1 . 18702 1
341 . 1 1 42 42 VAL HG12 H 1 0.562 0.006 . . . . . . 42 V QG1 . 18702 1
342 . 1 1 42 42 VAL HG13 H 1 0.562 0.006 . . . . . . 42 V QG1 . 18702 1
343 . 1 1 42 42 VAL HG21 H 1 0.485 0.004 . . . . . . 42 V QG2 . 18702 1
344 . 1 1 42 42 VAL HG22 H 1 0.485 0.004 . . . . . . 42 V QG2 . 18702 1
345 . 1 1 42 42 VAL HG23 H 1 0.485 0.004 . . . . . . 42 V QG2 . 18702 1
346 . 1 1 42 42 VAL CA C 13 58.413 0.039 . . . . . . 42 V CA . 18702 1
347 . 1 1 42 42 VAL CB C 13 35.770 0.103 . . . . . . 42 V CB . 18702 1
348 . 1 1 42 42 VAL CG1 C 13 22.479 0.029 . . . . . . 42 V CG1 . 18702 1
349 . 1 1 42 42 VAL CG2 C 13 18.643 0.048 . . . . . . 42 V CG2 . 18702 1
350 . 1 1 43 43 ARG H H 1 8.334 0.004 . . . . . . 43 R HN . 18702 1
351 . 1 1 43 43 ARG HA H 1 4.636 0.006 . . . . . . 43 R HA . 18702 1
352 . 1 1 43 43 ARG HB2 H 1 1.812 0.004 . . . . . . 43 R HB2 . 18702 1
353 . 1 1 43 43 ARG HB3 H 1 1.666 0.004 . . . . . . 43 R HB3 . 18702 1
354 . 1 1 43 43 ARG HG2 H 1 1.677 0.004 . . . . . . 43 R HG2 . 18702 1
355 . 1 1 43 43 ARG HG3 H 1 1.567 0.006 . . . . . . 43 R HG3 . 18702 1
356 . 1 1 43 43 ARG HD2 H 1 3.209 0.004 . . . . . . 43 R QD . 18702 1
357 . 1 1 43 43 ARG HD3 H 1 3.209 0.004 . . . . . . 43 R QD . 18702 1
358 . 1 1 43 43 ARG CA C 13 54.668 0.038 . . . . . . 43 R CA . 18702 1
359 . 1 1 43 43 ARG CB C 13 32.869 0.045 . . . . . . 43 R CB . 18702 1
360 . 1 1 43 43 ARG CG C 13 27.407 0.025 . . . . . . 43 R CG . 18702 1
361 . 1 1 43 43 ARG CD C 13 42.590 0.005 . . . . . . 43 R CD . 18702 1
362 . 1 1 44 44 ILE H H 1 9.418 0.006 . . . . . . 44 I HN . 18702 1
363 . 1 1 44 44 ILE HA H 1 4.983 0.006 . . . . . . 44 I HA . 18702 1
364 . 1 1 44 44 ILE HB H 1 1.403 0.005 . . . . . . 44 I HB . 18702 1
365 . 1 1 44 44 ILE HG12 H 1 1.423 0.006 . . . . . . 44 I HG12 . 18702 1
366 . 1 1 44 44 ILE HG13 H 1 0.742 0.008 . . . . . . 44 I HG13 . 18702 1
367 . 1 1 44 44 ILE HG21 H 1 0.295 0.004 . . . . . . 44 I QG2 . 18702 1
368 . 1 1 44 44 ILE HG22 H 1 0.295 0.004 . . . . . . 44 I QG2 . 18702 1
369 . 1 1 44 44 ILE HG23 H 1 0.295 0.004 . . . . . . 44 I QG2 . 18702 1
370 . 1 1 44 44 ILE HD11 H 1 0.586 0.007 . . . . . . 44 I QD1 . 18702 1
371 . 1 1 44 44 ILE HD12 H 1 0.586 0.007 . . . . . . 44 I QD1 . 18702 1
372 . 1 1 44 44 ILE HD13 H 1 0.586 0.007 . . . . . . 44 I QD1 . 18702 1
373 . 1 1 44 44 ILE CA C 13 60.098 0.079 . . . . . . 44 I CA . 18702 1
374 . 1 1 44 44 ILE CB C 13 40.201 0.036 . . . . . . 44 I CB . 18702 1
375 . 1 1 44 44 ILE CG1 C 13 27.968 0.048 . . . . . . 44 I CG1 . 18702 1
376 . 1 1 44 44 ILE CG2 C 13 16.721 0.054 . . . . . . 44 I CG2 . 18702 1
377 . 1 1 44 44 ILE CD1 C 13 13.529 0.052 . . . . . . 44 I CD1 . 18702 1
378 . 1 1 45 45 GLN H H 1 9.116 0.006 . . . . . . 45 Q HN . 18702 1
379 . 1 1 45 45 GLN HA H 1 5.048 0.004 . . . . . . 45 Q HA . 18702 1
380 . 1 1 45 45 GLN HB2 H 1 2.124 0.006 . . . . . . 45 Q HB2 . 18702 1
381 . 1 1 45 45 GLN HB3 H 1 2.056 0.004 . . . . . . 45 Q HB3 . 18702 1
382 . 1 1 45 45 GLN HG2 H 1 2.414 0.005 . . . . . . 45 Q HG2 . 18702 1
383 . 1 1 45 45 GLN HG3 H 1 2.266 0.004 . . . . . . 45 Q HG3 . 18702 1
384 . 1 1 45 45 GLN HE21 H 1 7.783 0.005 . . . . . . 45 Q HE21 . 18702 1
385 . 1 1 45 45 GLN CA C 13 53.919 0.053 . . . . . . 45 Q CA . 18702 1
386 . 1 1 45 45 GLN CB C 13 32.640 0.017 . . . . . . 45 Q CB . 18702 1
387 . 1 1 45 45 GLN CG C 13 33.382 0.050 . . . . . . 45 Q CG . 18702 1
388 . 1 1 46 46 PHE H H 1 9.088 0.001 . . . . . . 46 F HN . 18702 1
389 . 1 1 46 46 PHE HA H 1 4.976 0.004 . . . . . . 46 F HA . 18702 1
390 . 1 1 46 46 PHE HB2 H 1 3.194 0.004 . . . . . . 46 F HB2 . 18702 1
391 . 1 1 46 46 PHE HB3 H 1 2.889 0.006 . . . . . . 46 F HB3 . 18702 1
392 . 1 1 46 46 PHE HD1 H 1 7.067 0.008 . . . . . . 46 F QD . 18702 1
393 . 1 1 46 46 PHE HD2 H 1 7.067 0.008 . . . . . . 46 F QD . 18702 1
394 . 1 1 46 46 PHE HE1 H 1 6.838 0.007 . . . . . . 46 F QE . 18702 1
395 . 1 1 46 46 PHE HE2 H 1 6.838 0.007 . . . . . . 46 F QE . 18702 1
396 . 1 1 46 46 PHE HZ H 1 6.734 0.006 . . . . . . 46 F HZ . 18702 1
397 . 1 1 46 46 PHE CA C 13 60.101 0.046 . . . . . . 46 F CA . 18702 1
398 . 1 1 46 46 PHE CB C 13 39.457 0.024 . . . . . . 46 F CB . 18702 1
399 . 1 1 47 47 LYS H H 1 9.090 0.007 . . . . . . 47 K HN . 18702 1
400 . 1 1 47 47 LYS HA H 1 4.332 0.002 . . . . . . 47 K HA . 18702 1
401 . 1 1 47 47 LYS HB2 H 1 1.969 0.004 . . . . . . 47 K HB2 . 18702 1
402 . 1 1 47 47 LYS HB3 H 1 1.831 0.006 . . . . . . 47 K HB3 . 18702 1
403 . 1 1 47 47 LYS HG2 H 1 1.560 0.005 . . . . . . 47 K HG2 . 18702 1
404 . 1 1 47 47 LYS HG3 H 1 1.433 0.004 . . . . . . 47 K HG3 . 18702 1
405 . 1 1 47 47 LYS HD2 H 1 1.620 0.005 . . . . . . 47 K QD . 18702 1
406 . 1 1 47 47 LYS HD3 H 1 1.620 0.005 . . . . . . 47 K QD . 18702 1
407 . 1 1 47 47 LYS HE2 H 1 2.839 0.003 . . . . . . 47 K QE . 18702 1
408 . 1 1 47 47 LYS HE3 H 1 2.839 0.003 . . . . . . 47 K QE . 18702 1
409 . 1 1 47 47 LYS CA C 13 56.600 0.067 . . . . . . 47 K CA . 18702 1
410 . 1 1 47 47 LYS CB C 13 33.531 0.064 . . . . . . 47 K CB . 18702 1
411 . 1 1 47 47 LYS CG C 13 25.709 0.045 . . . . . . 47 K CG . 18702 1
412 . 1 1 47 47 LYS CD C 13 29.436 0.059 . . . . . . 47 K CD . 18702 1
413 . 1 1 47 47 LYS CE C 13 41.828 0.031 . . . . . . 47 K CE . 18702 1
414 . 1 1 48 48 GLN HA H 1 4.344 0.003 . . . . . . 48 Q HA . 18702 1
415 . 1 1 48 48 GLN HB2 H 1 2.091 0.002 . . . . . . 48 Q QB . 18702 1
416 . 1 1 48 48 GLN HB3 H 1 2.091 0.002 . . . . . . 48 Q QB . 18702 1
417 . 1 1 48 48 GLN HG2 H 1 2.460 0.004 . . . . . . 48 Q QG . 18702 1
418 . 1 1 48 48 GLN HG3 H 1 2.460 0.004 . . . . . . 48 Q QG . 18702 1
419 . 1 1 48 48 GLN CA C 13 56.430 0.005 . . . . . . 48 Q CA . 18702 1
420 . 1 1 48 48 GLN CB C 13 28.887 0.013 . . . . . . 48 Q CB . 18702 1
421 . 1 1 48 48 GLN CG C 13 33.670 0.051 . . . . . . 48 Q CG . 18702 1
422 . 1 1 49 49 ASP HA H 1 4.842 0.004 . . . . . . 49 D HA . 18702 1
423 . 1 1 49 49 ASP HB2 H 1 3.089 0.002 . . . . . . 49 D HB2 . 18702 1
424 . 1 1 49 49 ASP HB3 H 1 2.822 0.002 . . . . . . 49 D HB3 . 18702 1
425 . 1 1 49 49 ASP CA C 13 53.273 0.001 . . . . . . 49 D CA . 18702 1
426 . 1 1 49 49 ASP CB C 13 43.209 0.004 . . . . . . 49 D CB . 18702 1
427 . 1 1 50 50 ASP HA H 1 4.628 0.003 . . . . . . 50 D HA . 18702 1
428 . 1 1 50 50 ASP HB2 H 1 3.056 0.003 . . . . . . 50 D HB2 . 18702 1
429 . 1 1 50 50 ASP HB3 H 1 2.677 0.002 . . . . . . 50 D HB3 . 18702 1
430 . 1 1 50 50 ASP CA C 13 53.670 0.010 . . . . . . 50 D CA . 18702 1
431 . 1 1 50 50 ASP CB C 13 40.720 0.049 . . . . . . 50 D CB . 18702 1
432 . 1 1 51 51 GLY H H 1 8.967 0.002 . . . . . . 51 G HN . 18702 1
433 . 1 1 51 51 GLY HA2 H 1 3.720 0.002 . . . . . . 51 G HA2 . 18702 1
434 . 1 1 51 51 GLY HA3 H 1 4.201 0.001 . . . . . . 51 G HA3 . 18702 1
435 . 1 1 51 51 GLY CA C 13 45.581 0.016 . . . . . . 51 G CA . 18702 1
436 . 1 1 52 52 THR H H 1 8.153 0.003 . . . . . . 52 T HN . 18702 1
437 . 1 1 52 52 THR HA H 1 4.397 0.003 . . . . . . 52 T HA . 18702 1
438 . 1 1 52 52 THR HB H 1 4.246 0.002 . . . . . . 52 T HB . 18702 1
439 . 1 1 52 52 THR HG21 H 1 1.149 0.004 . . . . . . 52 T QG2 . 18702 1
440 . 1 1 52 52 THR HG22 H 1 1.149 0.004 . . . . . . 52 T QG2 . 18702 1
441 . 1 1 52 52 THR HG23 H 1 1.149 0.004 . . . . . . 52 T QG2 . 18702 1
442 . 1 1 52 52 THR CA C 13 62.291 0.019 . . . . . . 52 T CA . 18702 1
443 . 1 1 52 52 THR CB C 13 70.766 0.002 . . . . . . 52 T CB . 18702 1
444 . 1 1 52 52 THR CG2 C 13 21.379 0.052 . . . . . . 52 T CG2 . 18702 1
445 . 1 1 53 53 GLY HA2 H 1 4.255 0.004 . . . . . . 53 G QA . 18702 1
446 . 1 1 53 53 GLY HA3 H 1 4.255 0.004 . . . . . . 53 G QA . 18702 1
447 . 1 1 53 53 GLY CA C 13 44.630 0.043 . . . . . . 53 G CA . 18702 1
448 . 1 1 54 54 PRO HA H 1 4.596 0.006 . . . . . . 54 P HA . 18702 1
449 . 1 1 54 54 PRO HB2 H 1 2.332 0.003 . . . . . . 54 P HB2 . 18702 1
450 . 1 1 54 54 PRO HB3 H 1 2.127 0.003 . . . . . . 54 P HB3 . 18702 1
451 . 1 1 54 54 PRO HG2 H 1 2.124 0.005 . . . . . . 54 P HG2 . 18702 1
452 . 1 1 54 54 PRO HG3 H 1 1.953 0.005 . . . . . . 54 P HG3 . 18702 1
453 . 1 1 54 54 PRO HD2 H 1 3.827 0.005 . . . . . . 54 P HD2 . 18702 1
454 . 1 1 54 54 PRO HD3 H 1 3.651 0.002 . . . . . . 54 P HD3 . 18702 1
455 . 1 1 54 54 PRO CA C 13 64.364 0.020 . . . . . . 54 P CA . 18702 1
456 . 1 1 54 54 PRO CB C 13 32.616 0.030 . . . . . . 54 P CB . 18702 1
457 . 1 1 54 54 PRO CG C 13 26.909 0.043 . . . . . . 54 P CG . 18702 1
458 . 1 1 54 54 PRO CD C 13 49.790 0.055 . . . . . . 54 P CD . 18702 1
459 . 1 1 55 55 GLU H H 1 8.076 0.005 . . . . . . 55 E HN . 18702 1
460 . 1 1 55 55 GLU HA H 1 4.864 0.001 . . . . . . 55 E HA . 18702 1
461 . 1 1 55 55 GLU HB2 H 1 1.835 0.003 . . . . . . 55 E HB2 . 18702 1
462 . 1 1 55 55 GLU HB3 H 1 1.737 0.003 . . . . . . 55 E HB3 . 18702 1
463 . 1 1 55 55 GLU HG2 H 1 1.936 0.004 . . . . . . 55 E QG . 18702 1
464 . 1 1 55 55 GLU HG3 H 1 1.936 0.004 . . . . . . 55 E QG . 18702 1
465 . 1 1 55 55 GLU CB C 13 32.976 0.043 . . . . . . 55 E CB . 18702 1
466 . 1 1 55 55 GLU CG C 13 35.783 0.037 . . . . . . 55 E CG . 18702 1
467 . 1 1 56 56 LYS H H 1 8.910 0.005 . . . . . . 56 K HN . 18702 1
468 . 1 1 56 56 LYS HA H 1 4.581 0.005 . . . . . . 56 K HA . 18702 1
469 . 1 1 56 56 LYS HB2 H 1 1.864 0.003 . . . . . . 56 K HB2 . 18702 1
470 . 1 1 56 56 LYS HB3 H 1 1.430 0.003 . . . . . . 56 K HB3 . 18702 1
471 . 1 1 56 56 LYS HG2 H 1 1.555 0.004 . . . . . . 56 K QG . 18702 1
472 . 1 1 56 56 LYS HG3 H 1 1.555 0.004 . . . . . . 56 K QG . 18702 1
473 . 1 1 56 56 LYS HD2 H 1 1.751 0.004 . . . . . . 56 K HD2 . 18702 1
474 . 1 1 56 56 LYS HD3 H 1 1.584 0.005 . . . . . . 56 K HD3 . 18702 1
475 . 1 1 56 56 LYS HE2 H 1 3.082 0.004 . . . . . . 56 K HE2 . 18702 1
476 . 1 1 56 56 LYS HE3 H 1 3.013 0.004 . . . . . . 56 K HE3 . 18702 1
477 . 1 1 56 56 LYS CA C 13 54.886 0.037 . . . . . . 56 K CA . 18702 1
478 . 1 1 56 56 LYS CB C 13 35.638 0.034 . . . . . . 56 K CB . 18702 1
479 . 1 1 56 56 LYS CG C 13 25.914 0.049 . . . . . . 56 K CG . 18702 1
480 . 1 1 56 56 LYS CD C 13 29.298 0.043 . . . . . . 56 K CD . 18702 1
481 . 1 1 56 56 LYS CE C 13 41.874 0.019 . . . . . . 56 K CE . 18702 1
482 . 1 1 57 57 ILE H H 1 9.131 0.004 . . . . . . 57 I HN . 18702 1
483 . 1 1 57 57 ILE HA H 1 4.334 0.005 . . . . . . 57 I HA . 18702 1
484 . 1 1 57 57 ILE HB H 1 1.848 0.002 . . . . . . 57 I HB . 18702 1
485 . 1 1 57 57 ILE HG12 H 1 1.402 0.003 . . . . . . 57 I HG12 . 18702 1
486 . 1 1 57 57 ILE HG13 H 1 1.328 0.007 . . . . . . 57 I HG13 . 18702 1
487 . 1 1 57 57 ILE HG21 H 1 0.624 0.004 . . . . . . 57 I QG2 . 18702 1
488 . 1 1 57 57 ILE HG22 H 1 0.624 0.004 . . . . . . 57 I QG2 . 18702 1
489 . 1 1 57 57 ILE HG23 H 1 0.624 0.004 . . . . . . 57 I QG2 . 18702 1
490 . 1 1 57 57 ILE HD11 H 1 0.650 0.004 . . . . . . 57 I QD1 . 18702 1
491 . 1 1 57 57 ILE HD12 H 1 0.650 0.004 . . . . . . 57 I QD1 . 18702 1
492 . 1 1 57 57 ILE HD13 H 1 0.650 0.004 . . . . . . 57 I QD1 . 18702 1
493 . 1 1 57 57 ILE CA C 13 59.726 0.036 . . . . . . 57 I CA . 18702 1
494 . 1 1 57 57 ILE CB C 13 38.109 0.038 . . . . . . 57 I CB . 18702 1
495 . 1 1 57 57 ILE CG1 C 13 27.132 0.063 . . . . . . 57 I CG1 . 18702 1
496 . 1 1 57 57 ILE CG2 C 13 17.970 0.023 . . . . . . 57 I CG2 . 18702 1
497 . 1 1 57 57 ILE CD1 C 13 10.427 0.034 . . . . . . 57 I CD1 . 18702 1
498 . 1 1 58 58 ALA H H 1 8.848 0.003 . . . . . . 58 A HN . 18702 1
499 . 1 1 58 58 ALA HA H 1 3.747 0.004 . . . . . . 58 A HA . 18702 1
500 . 1 1 58 58 ALA HB1 H 1 0.477 0.003 . . . . . . 58 A QB . 18702 1
501 . 1 1 58 58 ALA HB2 H 1 0.477 0.003 . . . . . . 58 A QB . 18702 1
502 . 1 1 58 58 ALA HB3 H 1 0.477 0.003 . . . . . . 58 A QB . 18702 1
503 . 1 1 58 58 ALA CA C 13 50.425 0.068 . . . . . . 58 A CA . 18702 1
504 . 1 1 58 58 ALA CB C 13 17.416 0.020 . . . . . . 58 A CB . 18702 1
505 . 1 1 59 59 HIS H H 1 8.522 0.005 . . . . . . 59 H HN . 18702 1
506 . 1 1 59 59 HIS HA H 1 5.346 0.003 . . . . . . 59 H HA . 18702 1
507 . 1 1 59 59 HIS HB2 H 1 3.332 0.004 . . . . . . 59 H HB2 . 18702 1
508 . 1 1 59 59 HIS HB3 H 1 2.752 0.004 . . . . . . 59 H HB3 . 18702 1
509 . 1 1 59 59 HIS HD2 H 1 6.850 0.007 . . . . . . 59 H HD2 . 18702 1
510 . 1 1 59 59 HIS CA C 13 54.842 0.035 . . . . . . 59 H CA . 18702 1
511 . 1 1 59 59 HIS CB C 13 30.642 0.055 . . . . . . 59 H CB . 18702 1
512 . 1 1 60 60 ILE H H 1 9.097 0.007 . . . . . . 60 I HN . 18702 1
513 . 1 1 60 60 ILE HA H 1 4.305 0.005 . . . . . . 60 I HA . 18702 1
514 . 1 1 60 60 ILE HB H 1 1.681 0.004 . . . . . . 60 I HB . 18702 1
515 . 1 1 60 60 ILE HG12 H 1 1.493 0.006 . . . . . . 60 I HG12 . 18702 1
516 . 1 1 60 60 ILE HG13 H 1 0.544 0.004 . . . . . . 60 I HG13 . 18702 1
517 . 1 1 60 60 ILE HG21 H 1 0.760 0.004 . . . . . . 60 I QG2 . 18702 1
518 . 1 1 60 60 ILE HG22 H 1 0.760 0.004 . . . . . . 60 I QG2 . 18702 1
519 . 1 1 60 60 ILE HG23 H 1 0.760 0.004 . . . . . . 60 I QG2 . 18702 1
520 . 1 1 60 60 ILE HD11 H 1 0.540 0.005 . . . . . . 60 I QD1 . 18702 1
521 . 1 1 60 60 ILE HD12 H 1 0.540 0.005 . . . . . . 60 I QD1 . 18702 1
522 . 1 1 60 60 ILE HD13 H 1 0.540 0.005 . . . . . . 60 I QD1 . 18702 1
523 . 1 1 60 60 ILE CA C 13 60.940 0.043 . . . . . . 60 I CA . 18702 1
524 . 1 1 60 60 ILE CB C 13 38.343 0.023 . . . . . . 60 I CB . 18702 1
525 . 1 1 60 60 ILE CG1 C 13 26.644 0.036 . . . . . . 60 I CG1 . 18702 1
526 . 1 1 60 60 ILE CG2 C 13 18.355 0.042 . . . . . . 60 I CG2 . 18702 1
527 . 1 1 60 60 ILE CD1 C 13 14.016 0.052 . . . . . . 60 I CD1 . 18702 1
528 . 1 1 61 61 MET H H 1 9.042 0.005 . . . . . . 61 M HN . 18702 1
529 . 1 1 61 61 MET HA H 1 4.736 0.004 . . . . . . 61 M HA . 18702 1
530 . 1 1 61 61 MET HB2 H 1 2.013 0.006 . . . . . . 61 M HB2 . 18702 1
531 . 1 1 61 61 MET HB3 H 1 1.867 0.003 . . . . . . 61 M HB3 . 18702 1
532 . 1 1 61 61 MET HG2 H 1 2.431 0.006 . . . . . . 61 M HG2 . 18702 1
533 . 1 1 61 61 MET HG3 H 1 2.057 0.004 . . . . . . 61 M HG3 . 18702 1
534 . 1 1 61 61 MET HE1 H 1 1.976 0.004 . . . . . . 61 M QE . 18702 1
535 . 1 1 61 61 MET HE2 H 1 1.976 0.004 . . . . . . 61 M QE . 18702 1
536 . 1 1 61 61 MET HE3 H 1 1.976 0.004 . . . . . . 61 M QE . 18702 1
537 . 1 1 61 61 MET CB C 13 36.630 0.043 . . . . . . 61 M CB . 18702 1
538 . 1 1 61 61 MET CG C 13 32.313 0.046 . . . . . . 61 M CG . 18702 1
539 . 1 1 61 61 MET CE C 13 17.057 0.045 . . . . . . 61 M CE . 18702 1
540 . 1 1 62 62 GLY H H 1 7.833 0.011 . . . . . . 62 G HN . 18702 1
541 . 1 1 62 62 GLY HA2 H 1 3.969 0.004 . . . . . . 62 G HA2 . 18702 1
542 . 1 1 62 62 GLY HA3 H 1 4.222 0.003 . . . . . . 62 G HA3 . 18702 1
543 . 1 1 62 62 GLY CA C 13 44.292 0.045 . . . . . . 62 G CA . 18702 1
544 . 1 1 63 63 PRO HA H 1 4.857 0.001 . . . . . . 63 P HA . 18702 1
545 . 1 1 63 63 PRO HB2 H 1 2.643 0.005 . . . . . . 63 P HB2 . 18702 1
546 . 1 1 63 63 PRO HB3 H 1 1.987 0.005 . . . . . . 63 P HB3 . 18702 1
547 . 1 1 63 63 PRO HG2 H 1 2.191 0.007 . . . . . . 63 P QG . 18702 1
548 . 1 1 63 63 PRO HG3 H 1 2.191 0.007 . . . . . . 63 P QG . 18702 1
549 . 1 1 63 63 PRO HD2 H 1 3.837 0.003 . . . . . . 63 P HD2 . 18702 1
550 . 1 1 63 63 PRO HD3 H 1 3.372 0.007 . . . . . . 63 P HD3 . 18702 1
551 . 1 1 63 63 PRO CB C 13 31.165 0.043 . . . . . . 63 P CB . 18702 1
552 . 1 1 63 63 PRO CG C 13 28.100 0.070 . . . . . . 63 P CG . 18702 1
553 . 1 1 63 63 PRO CD C 13 49.258 0.031 . . . . . . 63 P CD . 18702 1
554 . 1 1 64 64 PRO HA H 1 4.139 0.010 . . . . . . 64 P HA . 18702 1
555 . 1 1 64 64 PRO HB2 H 1 2.434 0.007 . . . . . . 64 P HB2 . 18702 1
556 . 1 1 64 64 PRO HB3 H 1 2.084 0.009 . . . . . . 64 P HB3 . 18702 1
557 . 1 1 64 64 PRO HG2 H 1 2.227 0.010 . . . . . . 64 P HG2 . 18702 1
558 . 1 1 64 64 PRO HG3 H 1 2.148 0.003 . . . . . . 64 P HG3 . 18702 1
559 . 1 1 64 64 PRO HD2 H 1 3.949 0.014 . . . . . . 64 P HD2 . 18702 1
560 . 1 1 64 64 PRO HD3 H 1 3.876 0.010 . . . . . . 64 P HD3 . 18702 1
561 . 1 1 64 64 PRO CA C 13 66.965 0.032 . . . . . . 64 P CA . 18702 1
562 . 1 1 64 64 PRO CB C 13 32.242 0.035 . . . . . . 64 P CB . 18702 1
563 . 1 1 64 64 PRO CG C 13 27.678 0.045 . . . . . . 64 P CG . 18702 1
564 . 1 1 64 64 PRO CD C 13 50.449 0.042 . . . . . . 64 P CD . 18702 1
565 . 1 1 65 65 ASP H H 1 8.937 0.004 . . . . . . 65 D HN . 18702 1
566 . 1 1 65 65 ASP HA H 1 4.331 0.004 . . . . . . 65 D HA . 18702 1
567 . 1 1 65 65 ASP HB2 H 1 2.788 0.002 . . . . . . 65 D HB2 . 18702 1
568 . 1 1 65 65 ASP HB3 H 1 2.607 0.002 . . . . . . 65 D HB3 . 18702 1
569 . 1 1 65 65 ASP CA C 13 56.522 0.052 . . . . . . 65 D CA . 18702 1
570 . 1 1 65 65 ASP CB C 13 39.032 0.025 . . . . . . 65 D CB . 18702 1
571 . 1 1 66 66 ARG H H 1 7.266 0.003 . . . . . . 66 R HN . 18702 1
572 . 1 1 66 66 ARG HA H 1 4.345 0.005 . . . . . . 66 R HA . 18702 1
573 . 1 1 66 66 ARG HB2 H 1 2.453 0.004 . . . . . . 66 R HB2 . 18702 1
574 . 1 1 66 66 ARG HB3 H 1 1.657 0.004 . . . . . . 66 R HB3 . 18702 1
575 . 1 1 66 66 ARG HG2 H 1 1.867 0.004 . . . . . . 66 R HG2 . 18702 1
576 . 1 1 66 66 ARG HG3 H 1 1.743 0.005 . . . . . . 66 R HG3 . 18702 1
577 . 1 1 66 66 ARG HD2 H 1 3.687 0.006 . . . . . . 66 R HD2 . 18702 1
578 . 1 1 66 66 ARG HD3 H 1 3.215 0.007 . . . . . . 66 R HD3 . 18702 1
579 . 1 1 66 66 ARG CA C 13 58.376 0.046 . . . . . . 66 R CA . 18702 1
580 . 1 1 66 66 ARG CB C 13 29.344 0.051 . . . . . . 66 R CB . 18702 1
581 . 1 1 66 66 ARG CG C 13 27.493 0.063 . . . . . . 66 R CG . 18702 1
582 . 1 1 66 66 ARG CD C 13 43.213 0.048 . . . . . . 66 R CD . 18702 1
583 . 1 1 67 67 CYS H H 1 8.057 0.007 . . . . . . 67 C HN . 18702 1
584 . 1 1 67 67 CYS HA H 1 3.803 0.006 . . . . . . 67 C HA . 18702 1
585 . 1 1 67 67 CYS HB2 H 1 3.082 0.004 . . . . . . 67 C HB2 . 18702 1
586 . 1 1 67 67 CYS HB3 H 1 2.240 0.005 . . . . . . 67 C HB3 . 18702 1
587 . 1 1 67 67 CYS CA C 13 63.609 0.035 . . . . . . 67 C CA . 18702 1
588 . 1 1 67 67 CYS CB C 13 26.271 0.029 . . . . . . 67 C CB . 18702 1
589 . 1 1 68 68 GLU H H 1 7.787 0.005 . . . . . . 68 E HN . 18702 1
590 . 1 1 68 68 GLU HA H 1 3.845 0.004 . . . . . . 68 E HA . 18702 1
591 . 1 1 68 68 GLU HB2 H 1 2.056 0.005 . . . . . . 68 E QB . 18702 1
592 . 1 1 68 68 GLU HB3 H 1 2.056 0.005 . . . . . . 68 E QB . 18702 1
593 . 1 1 68 68 GLU HG2 H 1 2.402 0.005 . . . . . . 68 E HG2 . 18702 1
594 . 1 1 68 68 GLU HG3 H 1 2.210 0.005 . . . . . . 68 E HG3 . 18702 1
595 . 1 1 68 68 GLU CA C 13 59.466 0.064 . . . . . . 68 E CA . 18702 1
596 . 1 1 68 68 GLU CB C 13 29.161 0.042 . . . . . . 68 E CB . 18702 1
597 . 1 1 68 68 GLU CG C 13 36.236 0.050 . . . . . . 68 E CG . 18702 1
598 . 1 1 69 69 HIS H H 1 7.504 0.006 . . . . . . 69 H HN . 18702 1
599 . 1 1 69 69 HIS HA H 1 4.470 0.003 . . . . . . 69 H HA . 18702 1
600 . 1 1 69 69 HIS HB2 H 1 3.540 0.002 . . . . . . 69 H HB2 . 18702 1
601 . 1 1 69 69 HIS HB3 H 1 3.224 0.003 . . . . . . 69 H HB3 . 18702 1
602 . 1 1 69 69 HIS HD2 H 1 6.912 0.005 . . . . . . 69 H HD2 . 18702 1
603 . 1 1 69 69 HIS CA C 13 57.958 0.043 . . . . . . 69 H CA . 18702 1
604 . 1 1 69 69 HIS CB C 13 31.608 0.013 . . . . . . 69 H CB . 18702 1
605 . 1 1 70 70 ALA H H 1 8.144 0.005 . . . . . . 70 A HN . 18702 1
606 . 1 1 70 70 ALA HA H 1 3.629 0.005 . . . . . . 70 A HA . 18702 1
607 . 1 1 70 70 ALA HB1 H 1 1.230 0.008 . . . . . . 70 A QB . 18702 1
608 . 1 1 70 70 ALA HB2 H 1 1.230 0.008 . . . . . . 70 A QB . 18702 1
609 . 1 1 70 70 ALA HB3 H 1 1.230 0.008 . . . . . . 70 A QB . 18702 1
610 . 1 1 70 70 ALA CA C 13 55.154 0.014 . . . . . . 70 A CA . 18702 1
611 . 1 1 70 70 ALA CB C 13 19.363 0.021 . . . . . . 70 A CB . 18702 1
612 . 1 1 71 71 ALA H H 1 8.272 0.005 . . . . . . 71 A HN . 18702 1
613 . 1 1 71 71 ALA HA H 1 3.733 0.003 . . . . . . 71 A HA . 18702 1
614 . 1 1 71 71 ALA HB1 H 1 1.356 0.005 . . . . . . 71 A QB . 18702 1
615 . 1 1 71 71 ALA HB2 H 1 1.356 0.005 . . . . . . 71 A QB . 18702 1
616 . 1 1 71 71 ALA HB3 H 1 1.356 0.005 . . . . . . 71 A QB . 18702 1
617 . 1 1 71 71 ALA CA C 13 55.557 0.014 . . . . . . 71 A CA . 18702 1
618 . 1 1 71 71 ALA CB C 13 17.768 0.034 . . . . . . 71 A CB . 18702 1
619 . 1 1 72 72 ARG H H 1 7.857 0.002 . . . . . . 72 R HN . 18702 1
620 . 1 1 72 72 ARG HA H 1 4.056 0.002 . . . . . . 72 R HA . 18702 1
621 . 1 1 72 72 ARG HB2 H 1 2.103 0.003 . . . . . . 72 R QB . 18702 1
622 . 1 1 72 72 ARG HB3 H 1 2.103 0.003 . . . . . . 72 R QB . 18702 1
623 . 1 1 72 72 ARG HG2 H 1 1.861 0.002 . . . . . . 72 R HG2 . 18702 1
624 . 1 1 72 72 ARG HG3 H 1 1.655 0.003 . . . . . . 72 R HG3 . 18702 1
625 . 1 1 72 72 ARG HD2 H 1 3.278 0.003 . . . . . . 72 R HD2 . 18702 1
626 . 1 1 72 72 ARG HD3 H 1 3.238 0.004 . . . . . . 72 R HD3 . 18702 1
627 . 1 1 72 72 ARG CA C 13 59.837 0.052 . . . . . . 72 R CA . 18702 1
628 . 1 1 72 72 ARG CB C 13 29.776 0.050 . . . . . . 72 R CB . 18702 1
629 . 1 1 72 72 ARG CG C 13 27.693 0.026 . . . . . . 72 R CG . 18702 1
630 . 1 1 72 72 ARG CD C 13 43.621 0.019 . . . . . . 72 R CD . 18702 1
631 . 1 1 73 73 ILE H H 1 8.115 0.004 . . . . . . 73 I HN . 18702 1
632 . 1 1 73 73 ILE HA H 1 3.716 0.004 . . . . . . 73 I HA . 18702 1
633 . 1 1 73 73 ILE HB H 1 1.860 0.003 . . . . . . 73 I HB . 18702 1
634 . 1 1 73 73 ILE HG12 H 1 1.705 0.006 . . . . . . 73 I HG12 . 18702 1
635 . 1 1 73 73 ILE HG13 H 1 0.988 0.002 . . . . . . 73 I HG13 . 18702 1
636 . 1 1 73 73 ILE HG21 H 1 0.876 0.005 . . . . . . 73 I QG2 . 18702 1
637 . 1 1 73 73 ILE HG22 H 1 0.876 0.005 . . . . . . 73 I QG2 . 18702 1
638 . 1 1 73 73 ILE HG23 H 1 0.876 0.005 . . . . . . 73 I QG2 . 18702 1
639 . 1 1 73 73 ILE HD11 H 1 0.528 0.003 . . . . . . 73 I QD1 . 18702 1
640 . 1 1 73 73 ILE HD12 H 1 0.528 0.003 . . . . . . 73 I QD1 . 18702 1
641 . 1 1 73 73 ILE HD13 H 1 0.528 0.003 . . . . . . 73 I QD1 . 18702 1
642 . 1 1 73 73 ILE CA C 13 65.612 0.016 . . . . . . 73 I CA . 18702 1
643 . 1 1 73 73 ILE CB C 13 37.915 0.037 . . . . . . 73 I CB . 18702 1
644 . 1 1 73 73 ILE CG1 C 13 27.996 0.050 . . . . . . 73 I CG1 . 18702 1
645 . 1 1 73 73 ILE CG2 C 13 17.583 0.050 . . . . . . 73 I CG2 . 18702 1
646 . 1 1 73 73 ILE CD1 C 13 13.544 0.048 . . . . . . 73 I CD1 . 18702 1
647 . 1 1 74 74 ILE H H 1 8.202 0.004 . . . . . . 74 I HN . 18702 1
648 . 1 1 74 74 ILE HA H 1 3.403 0.003 . . . . . . 74 I HA . 18702 1
649 . 1 1 74 74 ILE HB H 1 1.766 0.004 . . . . . . 74 I HB . 18702 1
650 . 1 1 74 74 ILE HG12 H 1 1.874 0.003 . . . . . . 74 I HG12 . 18702 1
651 . 1 1 74 74 ILE HG13 H 1 0.698 0.007 . . . . . . 74 I HG13 . 18702 1
652 . 1 1 74 74 ILE HG21 H 1 0.744 0.006 . . . . . . 74 I QG2 . 18702 1
653 . 1 1 74 74 ILE HG22 H 1 0.744 0.006 . . . . . . 74 I QG2 . 18702 1
654 . 1 1 74 74 ILE HG23 H 1 0.744 0.006 . . . . . . 74 I QG2 . 18702 1
655 . 1 1 74 74 ILE HD11 H 1 0.553 0.003 . . . . . . 74 I QD1 . 18702 1
656 . 1 1 74 74 ILE HD12 H 1 0.553 0.003 . . . . . . 74 I QD1 . 18702 1
657 . 1 1 74 74 ILE HD13 H 1 0.553 0.003 . . . . . . 74 I QD1 . 18702 1
658 . 1 1 74 74 ILE CA C 13 66.480 0.027 . . . . . . 74 I CA . 18702 1
659 . 1 1 74 74 ILE CB C 13 38.254 0.028 . . . . . . 74 I CB . 18702 1
660 . 1 1 74 74 ILE CG1 C 13 30.525 0.032 . . . . . . 74 I CG1 . 18702 1
661 . 1 1 74 74 ILE CG2 C 13 16.410 0.039 . . . . . . 74 I CG2 . 18702 1
662 . 1 1 74 74 ILE CD1 C 13 12.930 0.039 . . . . . . 74 I CD1 . 18702 1
663 . 1 1 75 75 ASN H H 1 8.506 0.006 . . . . . . 75 N HN . 18702 1
664 . 1 1 75 75 ASN HA H 1 4.397 0.006 . . . . . . 75 N HA . 18702 1
665 . 1 1 75 75 ASN HB2 H 1 2.842 0.006 . . . . . . 75 N HB2 . 18702 1
666 . 1 1 75 75 ASN HB3 H 1 2.803 0.005 . . . . . . 75 N HB3 . 18702 1
667 . 1 1 75 75 ASN HD21 H 1 7.519 0.002 . . . . . . 75 N HD21 . 18702 1
668 . 1 1 75 75 ASN HD22 H 1 6.804 0.012 . . . . . . 75 N HD22 . 18702 1
669 . 1 1 75 75 ASN CA C 13 57.522 0.033 . . . . . . 75 N CA . 18702 1
670 . 1 1 75 75 ASN CB C 13 38.616 0.030 . . . . . . 75 N CB . 18702 1
671 . 1 1 76 76 ASP H H 1 8.744 0.005 . . . . . . 76 D HN . 18702 1
672 . 1 1 76 76 ASP HA H 1 4.390 0.002 . . . . . . 76 D HA . 18702 1
673 . 1 1 76 76 ASP HB2 H 1 2.849 0.004 . . . . . . 76 D HB2 . 18702 1
674 . 1 1 76 76 ASP HB3 H 1 2.620 0.003 . . . . . . 76 D HB3 . 18702 1
675 . 1 1 76 76 ASP CA C 13 57.527 0.036 . . . . . . 76 D CA . 18702 1
676 . 1 1 76 76 ASP CB C 13 40.039 0.028 . . . . . . 76 D CB . 18702 1
677 . 1 1 77 77 LEU H H 1 8.038 0.002 . . . . . . 77 L HN . 18702 1
678 . 1 1 77 77 LEU HA H 1 4.120 0.002 . . . . . . 77 L HA . 18702 1
679 . 1 1 77 77 LEU HB2 H 1 1.884 0.002 . . . . . . 77 L HB2 . 18702 1
680 . 1 1 77 77 LEU HB3 H 1 1.771 0.002 . . . . . . 77 L HB3 . 18702 1
681 . 1 1 77 77 LEU HG H 1 1.532 0.006 . . . . . . 77 L HG . 18702 1
682 . 1 1 77 77 LEU HD11 H 1 0.848 0.002 . . . . . . 77 L QD1 . 18702 1
683 . 1 1 77 77 LEU HD12 H 1 0.848 0.002 . . . . . . 77 L QD1 . 18702 1
684 . 1 1 77 77 LEU HD13 H 1 0.848 0.002 . . . . . . 77 L QD1 . 18702 1
685 . 1 1 77 77 LEU HD21 H 1 0.861 0.001 . . . . . . 77 L QD2 . 18702 1
686 . 1 1 77 77 LEU HD22 H 1 0.861 0.001 . . . . . . 77 L QD2 . 18702 1
687 . 1 1 77 77 LEU HD23 H 1 0.861 0.001 . . . . . . 77 L QD2 . 18702 1
688 . 1 1 77 77 LEU CA C 13 58.029 0.023 . . . . . . 77 L CA . 18702 1
689 . 1 1 77 77 LEU CB C 13 41.988 0.027 . . . . . . 77 L CB . 18702 1
690 . 1 1 77 77 LEU CG C 13 27.037 0.039 . . . . . . 77 L CG . 18702 1
691 . 1 1 77 77 LEU CD1 C 13 25.562 0.027 . . . . . . 77 L CD1 . 18702 1
692 . 1 1 77 77 LEU CD2 C 13 24.024 0.019 . . . . . . 77 L CD2 . 18702 1
693 . 1 1 78 78 LEU H H 1 8.350 0.009 . . . . . . 78 L HN . 18702 1
694 . 1 1 78 78 LEU HA H 1 4.006 0.005 . . . . . . 78 L HA . 18702 1
695 . 1 1 78 78 LEU HB2 H 1 2.039 0.003 . . . . . . 78 L HB2 . 18702 1
696 . 1 1 78 78 LEU HB3 H 1 1.498 0.003 . . . . . . 78 L HB3 . 18702 1
697 . 1 1 78 78 LEU HG H 1 1.991 0.005 . . . . . . 78 L HG . 18702 1
698 . 1 1 78 78 LEU HD11 H 1 0.956 0.004 . . . . . . 78 L QD1 . 18702 1
699 . 1 1 78 78 LEU HD12 H 1 0.956 0.004 . . . . . . 78 L QD1 . 18702 1
700 . 1 1 78 78 LEU HD13 H 1 0.956 0.004 . . . . . . 78 L QD1 . 18702 1
701 . 1 1 78 78 LEU HD21 H 1 0.783 0.006 . . . . . . 78 L QD2 . 18702 1
702 . 1 1 78 78 LEU HD22 H 1 0.783 0.006 . . . . . . 78 L QD2 . 18702 1
703 . 1 1 78 78 LEU HD23 H 1 0.783 0.006 . . . . . . 78 L QD2 . 18702 1
704 . 1 1 78 78 LEU CA C 13 57.575 0.006 . . . . . . 78 L CA . 18702 1
705 . 1 1 78 78 LEU CB C 13 40.904 0.013 . . . . . . 78 L CB . 18702 1
706 . 1 1 78 78 LEU CG C 13 26.591 0.054 . . . . . . 78 L CG . 18702 1
707 . 1 1 78 78 LEU CD1 C 13 26.139 0.058 . . . . . . 78 L CD1 . 18702 1
708 . 1 1 78 78 LEU CD2 C 13 22.609 0.019 . . . . . . 78 L CD2 . 18702 1
709 . 1 1 79 79 GLN H H 1 8.298 0.003 . . . . . . 79 Q HN . 18702 1
710 . 1 1 79 79 GLN HA H 1 4.113 0.001 . . . . . . 79 Q HA . 18702 1
711 . 1 1 79 79 GLN HB2 H 1 2.210 0.004 . . . . . . 79 Q QB . 18702 1
712 . 1 1 79 79 GLN HB3 H 1 2.210 0.004 . . . . . . 79 Q QB . 18702 1
713 . 1 1 79 79 GLN HG2 H 1 2.511 0.002 . . . . . . 79 Q QG . 18702 1
714 . 1 1 79 79 GLN HG3 H 1 2.511 0.002 . . . . . . 79 Q QG . 18702 1
715 . 1 1 79 79 GLN HE21 H 1 7.439 0.007 . . . . . . 79 Q HE21 . 18702 1
716 . 1 1 79 79 GLN HE22 H 1 6.809 0.005 . . . . . . 79 Q HE22 . 18702 1
717 . 1 1 79 79 GLN CA C 13 58.238 0.017 . . . . . . 79 Q CA . 18702 1
718 . 1 1 79 79 GLN CB C 13 28.245 0.048 . . . . . . 79 Q CB . 18702 1
719 . 1 1 79 79 GLN CG C 13 33.778 0.013 . . . . . . 79 Q CG . 18702 1
720 . 1 1 80 80 SER H H 1 7.931 0.004 . . . . . . 80 S HN . 18702 1
721 . 1 1 80 80 SER HA H 1 4.354 0.005 . . . . . . 80 S HA . 18702 1
722 . 1 1 80 80 SER HB2 H 1 4.033 0.001 . . . . . . 80 S QB . 18702 1
723 . 1 1 80 80 SER HB3 H 1 4.033 0.001 . . . . . . 80 S QB . 18702 1
724 . 1 1 80 80 SER CA C 13 60.445 0.049 . . . . . . 80 S CA . 18702 1
725 . 1 1 80 80 SER CB C 13 63.375 0.019 . . . . . . 80 S CB . 18702 1
726 . 1 1 81 81 LEU H H 1 7.433 0.003 . . . . . . 81 L HN . 18702 1
727 . 1 1 81 81 LEU HA H 1 4.336 0.002 . . . . . . 81 L HA . 18702 1
728 . 1 1 81 81 LEU HB2 H 1 1.793 0.003 . . . . . . 81 L HB2 . 18702 1
729 . 1 1 81 81 LEU HB3 H 1 1.667 0.003 . . . . . . 81 L HB3 . 18702 1
730 . 1 1 81 81 LEU HG H 1 1.893 0.007 . . . . . . 81 L HG . 18702 1
731 . 1 1 81 81 LEU HD11 H 1 0.912 0.005 . . . . . . 81 L QD1 . 18702 1
732 . 1 1 81 81 LEU HD12 H 1 0.912 0.005 . . . . . . 81 L QD1 . 18702 1
733 . 1 1 81 81 LEU HD13 H 1 0.912 0.005 . . . . . . 81 L QD1 . 18702 1
734 . 1 1 81 81 LEU HD21 H 1 0.826 0.003 . . . . . . 81 L QD2 . 18702 1
735 . 1 1 81 81 LEU HD22 H 1 0.826 0.003 . . . . . . 81 L QD2 . 18702 1
736 . 1 1 81 81 LEU HD23 H 1 0.826 0.003 . . . . . . 81 L QD2 . 18702 1
737 . 1 1 81 81 LEU CA C 13 55.641 0.050 . . . . . . 81 L CA . 18702 1
738 . 1 1 81 81 LEU CB C 13 42.035 0.018 . . . . . . 81 L CB . 18702 1
739 . 1 1 81 81 LEU CG C 13 26.517 0.038 . . . . . . 81 L CG . 18702 1
740 . 1 1 81 81 LEU CD1 C 13 25.492 0.050 . . . . . . 81 L CD1 . 18702 1
741 . 1 1 81 81 LEU CD2 C 13 22.903 0.041 . . . . . . 81 L CD2 . 18702 1
742 . 1 1 82 82 ARG H H 1 7.862 0.015 . . . . . . 82 R HN . 18702 1
743 . 1 1 82 82 ARG HA H 1 4.364 0.003 . . . . . . 82 R HA . 18702 1
744 . 1 1 82 82 ARG HB2 H 1 1.948 0.003 . . . . . . 82 R QB . 18702 1
745 . 1 1 82 82 ARG HB3 H 1 1.948 0.003 . . . . . . 82 R QB . 18702 1
746 . 1 1 82 82 ARG HG2 H 1 1.684 0.004 . . . . . . 82 R QG . 18702 1
747 . 1 1 82 82 ARG HG3 H 1 1.684 0.004 . . . . . . 82 R QG . 18702 1
748 . 1 1 82 82 ARG HD2 H 1 3.231 0.005 . . . . . . 82 R QD . 18702 1
749 . 1 1 82 82 ARG HD3 H 1 3.231 0.005 . . . . . . 82 R QD . 18702 1
750 . 1 1 82 82 ARG CA C 13 56.615 0.048 . . . . . . 82 R CA . 18702 1
751 . 1 1 82 82 ARG CB C 13 30.675 0.014 . . . . . . 82 R CB . 18702 1
752 . 1 1 82 82 ARG CG C 13 27.198 0.018 . . . . . . 82 R CG . 18702 1
753 . 1 1 82 82 ARG CD C 13 43.490 0.054 . . . . . . 82 R CD . 18702 1
754 . 1 1 83 83 SER HA H 1 4.516 0.002 . . . . . . 83 S HA . 18702 1
755 . 1 1 83 83 SER HB2 H 1 3.909 0.003 . . . . . . 83 S QB . 18702 1
756 . 1 1 83 83 SER HB3 H 1 3.909 0.003 . . . . . . 83 S QB . 18702 1
757 . 1 1 83 83 SER CA C 13 58.438 0.005 . . . . . . 83 S CA . 18702 1
758 . 1 1 83 83 SER CB C 13 64.095 0.005 . . . . . . 83 S CB . 18702 1
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