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 16776
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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' . . . 16776 1
2 '2D 1H-13C HSQC' . . . 16776 1
3 '2D 1H-13C-CT-HSQC' . . . 16776 1
4 '3D CBCA(CO)NH' . . . 16776 1
5 '3D HNCACB' . . . 16776 1
6 '3D C(CO)NH' . . . 16776 1
7 '3D H(CCO)NH' . . . 16776 1
8 '2D (HB)CB(CGCD)HD' . . . 16776 1
9 '2D (HB)CB(CGCDCE)HE' . . . 16776 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
2 $AMBER . . 16776 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 1 1 MET HE1 H 1 2.095 0.002 . 3 . . . . . 94 Met QE . 16776 1
2 . 1 . 1 1 1 MET HE2 H 1 2.095 0.002 . 3 . . . . . 94 Met QE . 16776 1
3 . 1 . 1 1 1 MET HE3 H 1 2.095 0.002 . 3 . . . . . 94 Met QE . 16776 1
4 . 1 . 1 1 1 MET CE C 13 15.732 0.005 . 1 . . . . . 94 Met CE . 16776 1
5 . 1 . 1 2 2 GLY HA2 H 1 4.029 0 . 2 . . . . . 95 Gly HA2 . 16776 1
6 . 1 . 1 2 2 GLY HA3 H 1 3.952 0 . 2 . . . . . 95 Gly HA3 . 16776 1
7 . 1 . 1 2 2 GLY CA C 13 44.098 0.098 . 1 . . . . . 95 Gly CA . 16776 1
8 . 1 . 1 3 3 LYS H H 1 8.294 0.006 . 1 . . . . . 96 Lys H . 16776 1
9 . 1 . 1 3 3 LYS HA H 1 4.113 0.028 . 1 . . . . . 96 Lys HA . 16776 1
10 . 1 . 1 3 3 LYS HB2 H 1 1.931 0 . 2 . . . . . 96 Lys QB . 16776 1
11 . 1 . 1 3 3 LYS HB3 H 1 1.931 0 . 2 . . . . . 96 Lys QB . 16776 1
12 . 1 . 1 3 3 LYS HD2 H 1 1.551 0.025 . 2 . . . . . 96 Lys QD . 16776 1
13 . 1 . 1 3 3 LYS HD3 H 1 1.551 0.025 . 2 . . . . . 96 Lys QD . 16776 1
14 . 1 . 1 3 3 LYS HE2 H 1 2.899 0.012 . 2 . . . . . 96 Lys QE . 16776 1
15 . 1 . 1 3 3 LYS HE3 H 1 2.899 0.012 . 2 . . . . . 96 Lys QE . 16776 1
16 . 1 . 1 3 3 LYS HG2 H 1 1.117 0.053 . 2 . . . . . 96 Lys QG . 16776 1
17 . 1 . 1 3 3 LYS HG3 H 1 1.117 0.053 . 2 . . . . . 96 Lys QG . 16776 1
18 . 1 . 1 3 3 LYS CA C 13 56.104 0 . 1 . . . . . 96 Lys CA . 16776 1
19 . 1 . 1 3 3 LYS CB C 13 32.023 0.09 . 1 . . . . . 96 Lys CB . 16776 1
20 . 1 . 1 3 3 LYS CD C 13 27.995 0 . 1 . . . . . 96 Lys CD . 16776 1
21 . 1 . 1 3 3 LYS CE C 13 41.104 0 . 1 . . . . . 96 Lys CE . 16776 1
22 . 1 . 1 3 3 LYS CG C 13 23.501 0.063 . 1 . . . . . 96 Lys CG . 16776 1
23 . 1 . 1 3 3 LYS N N 15 121.59 0.049 . 1 . . . . . 96 Lys N . 16776 1
24 . 1 . 1 4 4 TYR H H 1 8.319 0.047 . 1 . . . . . 97 Tyr H . 16776 1
25 . 1 . 1 4 4 TYR HA H 1 4.651 0.026 . 1 . . . . . 97 Tyr HA . 16776 1
26 . 1 . 1 4 4 TYR HB2 H 1 3.21 0.001 . 2 . . . . . 97 Tyr HB2 . 16776 1
27 . 1 . 1 4 4 TYR HB3 H 1 2.843 0.001 . 2 . . . . . 97 Tyr HB3 . 16776 1
28 . 1 . 1 4 4 TYR HD1 H 1 7.133 0.008 . 3 . . . . . 97 Tyr QD . 16776 1
29 . 1 . 1 4 4 TYR HD2 H 1 7.133 0.008 . 3 . . . . . 97 Tyr QD . 16776 1
30 . 1 . 1 4 4 TYR HE1 H 1 6.82 0.005 . 3 . . . . . 97 Tyr QE . 16776 1
31 . 1 . 1 4 4 TYR HE2 H 1 6.82 0.005 . 3 . . . . . 97 Tyr QE . 16776 1
32 . 1 . 1 4 4 TYR CA C 13 56.351 0.112 . 1 . . . . . 97 Tyr CA . 16776 1
33 . 1 . 1 4 4 TYR CB C 13 37.173 0.112 . 1 . . . . . 97 Tyr CB . 16776 1
34 . 1 . 1 4 4 TYR CD1 C 13 132.095 0.004 . 3 . . . . . 97 Tyr CD1 . 16776 1
35 . 1 . 1 4 4 TYR CD2 C 13 132.095 0.004 . 3 . . . . . 97 Tyr CD2 . 16776 1
36 . 1 . 1 4 4 TYR CE1 C 13 117.068 0 . 3 . . . . . 97 Tyr CE1 . 16776 1
37 . 1 . 1 4 4 TYR CE2 C 13 117.068 0 . 3 . . . . . 97 Tyr CE2 . 16776 1
38 . 1 . 1 4 4 TYR N N 15 120.407 0.041 . 1 . . . . . 97 Tyr N . 16776 1
39 . 1 . 1 5 5 ASP H H 1 7.904 0.002 . 1 . . . . . 98 Asp H . 16776 1
40 . 1 . 1 5 5 ASP HA H 1 4.554 0.002 . 1 . . . . . 98 Asp HA . 16776 1
41 . 1 . 1 5 5 ASP HB2 H 1 2.64 0.008 . 2 . . . . . 98 Asp QB . 16776 1
42 . 1 . 1 5 5 ASP HB3 H 1 2.64 0.008 . 2 . . . . . 98 Asp QB . 16776 1
43 . 1 . 1 5 5 ASP CA C 13 53.491 0.051 . 1 . . . . . 98 Asp CA . 16776 1
44 . 1 . 1 5 5 ASP CB C 13 40.236 0.098 . 1 . . . . . 98 Asp CB . 16776 1
45 . 1 . 1 5 5 ASP N N 15 121.799 0.011 . 1 . . . . . 98 Asp N . 16776 1
46 . 1 . 1 6 6 LYS H H 1 8.135 0.002 . 1 . . . . . 99 Lys H . 16776 1
47 . 1 . 1 6 6 LYS HA H 1 4.278 0.001 . 1 . . . . . 99 Lys HA . 16776 1
48 . 1 . 1 6 6 LYS HB2 H 1 1.82 0.001 . 2 . . . . . 99 Lys HB2 . 16776 1
49 . 1 . 1 6 6 LYS HB3 H 1 1.73 0.003 . 2 . . . . . 99 Lys HB3 . 16776 1
50 . 1 . 1 6 6 LYS HE2 H 1 2.984 0 . 2 . . . . . 99 Lys QE . 16776 1
51 . 1 . 1 6 6 LYS HE3 H 1 2.984 0 . 2 . . . . . 99 Lys QE . 16776 1
52 . 1 . 1 6 6 LYS HG2 H 1 1.404 0.006 . 2 . . . . . 99 Lys QG . 16776 1
53 . 1 . 1 6 6 LYS HG3 H 1 1.404 0.006 . 2 . . . . . 99 Lys QG . 16776 1
54 . 1 . 1 6 6 LYS CA C 13 55.207 0.093 . 1 . . . . . 99 Lys CA . 16776 1
55 . 1 . 1 6 6 LYS CB C 13 31.828 0.05 . 1 . . . . . 99 Lys CB . 16776 1
56 . 1 . 1 6 6 LYS CD C 13 28.088 0 . 1 . . . . . 99 Lys CD . 16776 1
57 . 1 . 1 6 6 LYS CE C 13 41.119 0 . 1 . . . . . 99 Lys CE . 16776 1
58 . 1 . 1 6 6 LYS CG C 13 23.664 0.012 . 1 . . . . . 99 Lys CG . 16776 1
59 . 1 . 1 6 6 LYS N N 15 121.334 0.013 . 1 . . . . . 99 Lys N . 16776 1
60 . 1 . 1 7 7 GLN H H 1 8.32 0.004 . 1 . . . . . 100 Gln H . 16776 1
61 . 1 . 1 7 7 GLN HA H 1 4.349 0.001 . 1 . . . . . 100 Gln HA . 16776 1
62 . 1 . 1 7 7 GLN HB2 H 1 2.083 0.009 . 2 . . . . . 100 Gln HB2 . 16776 1
63 . 1 . 1 7 7 GLN HB3 H 1 1.978 0.004 . 2 . . . . . 100 Gln HB3 . 16776 1
64 . 1 . 1 7 7 GLN HE21 H 1 7.558 0 . 2 . . . . . 100 Gln HE21 . 16776 1
65 . 1 . 1 7 7 GLN HE22 H 1 6.859 0 . 2 . . . . . 100 Gln HE22 . 16776 1
66 . 1 . 1 7 7 GLN HG2 H 1 2.368 0.001 . 2 . . . . . 100 Gln QG . 16776 1
67 . 1 . 1 7 7 GLN HG3 H 1 2.368 0.001 . 2 . . . . . 100 Gln QG . 16776 1
68 . 1 . 1 7 7 GLN CA C 13 54.674 0.059 . 1 . . . . . 100 Gln CA . 16776 1
69 . 1 . 1 7 7 GLN CB C 13 28.643 0.068 . 1 . . . . . 100 Gln CB . 16776 1
70 . 1 . 1 7 7 GLN CG C 13 32.861 0.08 . 1 . . . . . 100 Gln CG . 16776 1
71 . 1 . 1 7 7 GLN N N 15 122.149 0.037 . 1 . . . . . 100 Gln N . 16776 1
72 . 1 . 1 7 7 GLN NE2 N 15 113.071 0.002 . 1 . . . . . 100 Gln NE2 . 16776 1
73 . 1 . 1 8 8 ILE H H 1 8.332 0.003 . 1 . . . . . 101 Ile H . 16776 1
74 . 1 . 1 8 8 ILE HA H 1 4.033 0.002 . 1 . . . . . 101 Ile HA . 16776 1
75 . 1 . 1 8 8 ILE HB H 1 1.751 0.001 . 1 . . . . . 101 Ile HB . 16776 1
76 . 1 . 1 8 8 ILE HD11 H 1 0.761 0 . . . . . . . 101 Ile QD1 . 16776 1
77 . 1 . 1 8 8 ILE HD12 H 1 0.761 0 . . . . . . . 101 Ile QD1 . 16776 1
78 . 1 . 1 8 8 ILE HD13 H 1 0.761 0 . . . . . . . 101 Ile QD1 . 16776 1
79 . 1 . 1 8 8 ILE HG12 H 1 1.423 0.003 . 2 . . . . . 101 Ile HG12 . 16776 1
80 . 1 . 1 8 8 ILE HG13 H 1 1.076 0.004 . 2 . . . . . 101 Ile HG13 . 16776 1
81 . 1 . 1 8 8 ILE HG21 H 1 0.766 0.011 . . . . . . . 101 Ile QG2 . 16776 1
82 . 1 . 1 8 8 ILE HG22 H 1 0.766 0.011 . . . . . . . 101 Ile QG2 . 16776 1
83 . 1 . 1 8 8 ILE HG23 H 1 0.766 0.011 . . . . . . . 101 Ile QG2 . 16776 1
84 . 1 . 1 8 8 ILE CA C 13 59.922 0.123 . 1 . . . . . 101 Ile CA . 16776 1
85 . 1 . 1 8 8 ILE CB C 13 38.065 0.036 . 1 . . . . . 101 Ile CB . 16776 1
86 . 1 . 1 8 8 ILE CD1 C 13 12.108 0.029 . 1 . . . . . 101 Ile CD1 . 16776 1
87 . 1 . 1 8 8 ILE CG1 C 13 26.539 0.075 . 1 . . . . . 101 Ile CG1 . 16776 1
88 . 1 . 1 8 8 ILE CG2 C 13 16.184 0.011 . 1 . . . . . 101 Ile CG2 . 16776 1
89 . 1 . 1 8 8 ILE N N 15 123.366 0.017 . 1 . . . . . 101 Ile N . 16776 1
90 . 1 . 1 9 9 ASP H H 1 8.486 0.003 . 1 . . . . . 102 Asp H . 16776 1
91 . 1 . 1 9 9 ASP HA H 1 4.795 0.005 . 1 . . . . . 102 Asp HA . 16776 1
92 . 1 . 1 9 9 ASP HB2 H 1 2.894 0.001 . 2 . . . . . 102 Asp HB2 . 16776 1
93 . 1 . 1 9 9 ASP HB3 H 1 2.568 0.002 . 2 . . . . . 102 Asp HB3 . 16776 1
94 . 1 . 1 9 9 ASP CA C 13 51.608 0.047 . 1 . . . . . 102 Asp CA . 16776 1
95 . 1 . 1 9 9 ASP CB C 13 39.79 0.039 . 1 . . . . . 102 Asp CB . 16776 1
96 . 1 . 1 9 9 ASP N N 15 125.778 0.022 . 1 . . . . . 102 Asp N . 16776 1
97 . 1 . 1 10 10 LEU H H 1 8.86 0.003 . 1 . . . . . 103 Leu H . 16776 1
98 . 1 . 1 10 10 LEU HA H 1 4.129 0.002 . 1 . . . . . 103 Leu HA . 16776 1
99 . 1 . 1 10 10 LEU HB2 H 1 1.809 0.002 . 2 . . . . . 103 Leu HB2 . 16776 1
100 . 1 . 1 10 10 LEU HB3 H 1 1.71 0 . 2 . . . . . 103 Leu HB3 . 16776 1
101 . 1 . 1 10 10 LEU HD11 H 1 1.053 0.006 . . . . . . . 103 Leu QD1 . 16776 1
102 . 1 . 1 10 10 LEU HD12 H 1 1.053 0.006 . . . . . . . 103 Leu QD1 . 16776 1
103 . 1 . 1 10 10 LEU HD13 H 1 1.053 0.006 . . . . . . . 103 Leu QD1 . 16776 1
104 . 1 . 1 10 10 LEU HD21 H 1 0.828 0.006 . . . . . . . 103 Leu QD2 . 16776 1
105 . 1 . 1 10 10 LEU HD22 H 1 0.828 0.006 . . . . . . . 103 Leu QD2 . 16776 1
106 . 1 . 1 10 10 LEU HD23 H 1 0.828 0.006 . . . . . . . 103 Leu QD2 . 16776 1
107 . 1 . 1 10 10 LEU CA C 13 55.372 0.033 . 1 . . . . . 103 Leu CA . 16776 1
108 . 1 . 1 10 10 LEU CB C 13 40.854 0.083 . 1 . . . . . 103 Leu CB . 16776 1
109 . 1 . 1 10 10 LEU CD1 C 13 25.125 0.047 . 2 . . . . . 103 Leu CD1 . 16776 1
110 . 1 . 1 10 10 LEU CD2 C 13 22.295 0.072 . 2 . . . . . 103 Leu CD2 . 16776 1
111 . 1 . 1 10 10 LEU N N 15 127.309 0.013 . 1 . . . . . 103 Leu N . 16776 1
112 . 1 . 1 11 11 SER H H 1 8.576 0.002 . 1 . . . . . 104 Ser H . 16776 1
113 . 1 . 1 11 11 SER HA H 1 4.31 0.002 . 1 . . . . . 104 Ser HA . 16776 1
114 . 1 . 1 11 11 SER HB2 H 1 4.007 0 . 2 . . . . . 104 Ser HB2 . 16776 1
115 . 1 . 1 11 11 SER HB3 H 1 3.956 0.023 . 2 . . . . . 104 Ser HB3 . 16776 1
116 . 1 . 1 11 11 SER CA C 13 60.309 0.071 . 1 . . . . . 104 Ser CA . 16776 1
117 . 1 . 1 11 11 SER CB C 13 62.384 0.044 . 1 . . . . . 104 Ser CB . 16776 1
118 . 1 . 1 11 11 SER N N 15 114.893 0.016 . 1 . . . . . 104 Ser N . 16776 1
119 . 1 . 1 12 12 THR H H 1 7.503 0.002 . 1 . . . . . 105 Thr H . 16776 1
120 . 1 . 1 12 12 THR HA H 1 4.496 0.001 . 1 . . . . . 105 Thr HA . 16776 1
121 . 1 . 1 12 12 THR HB H 1 4.362 0.003 . 1 . . . . . 105 Thr HB . 16776 1
122 . 1 . 1 12 12 THR HG21 H 1 1.134 0.002 . . . . . . . 105 Thr QG2 . 16776 1
123 . 1 . 1 12 12 THR HG22 H 1 1.134 0.002 . . . . . . . 105 Thr QG2 . 16776 1
124 . 1 . 1 12 12 THR HG23 H 1 1.134 0.002 . . . . . . . 105 Thr QG2 . 16776 1
125 . 1 . 1 12 12 THR CA C 13 60.42 0.062 . 1 . . . . . 105 Thr CA . 16776 1
126 . 1 . 1 12 12 THR CB C 13 69.197 0.139 . 1 . . . . . 105 Thr CB . 16776 1
127 . 1 . 1 12 12 THR CG2 C 13 20.447 0.064 . 1 . . . . . 105 Thr CG2 . 16776 1
128 . 1 . 1 12 12 THR N N 15 109.723 0.012 . 1 . . . . . 105 Thr N . 16776 1
129 . 1 . 1 13 13 VAL H H 1 7.447 0.004 . 1 . . . . . 106 Val H . 16776 1
130 . 1 . 1 13 13 VAL HA H 1 4.003 0.002 . 1 . . . . . 106 Val HA . 16776 1
131 . 1 . 1 13 13 VAL HB H 1 2.043 0 . 1 . . . . . 106 Val HB . 16776 1
132 . 1 . 1 13 13 VAL HG11 H 1 0.782 0.006 . . . . . . . 106 Val QG1 . 16776 1
133 . 1 . 1 13 13 VAL HG12 H 1 0.782 0.006 . . . . . . . 106 Val QG1 . 16776 1
134 . 1 . 1 13 13 VAL HG13 H 1 0.782 0.006 . . . . . . . 106 Val QG1 . 16776 1
135 . 1 . 1 13 13 VAL HG21 H 1 0.892 0.004 . . . . . . . 106 Val QG2 . 16776 1
136 . 1 . 1 13 13 VAL HG22 H 1 0.892 0.004 . . . . . . . 106 Val QG2 . 16776 1
137 . 1 . 1 13 13 VAL HG23 H 1 0.892 0.004 . . . . . . . 106 Val QG2 . 16776 1
138 . 1 . 1 13 13 VAL CA C 13 61.073 0.057 . 1 . . . . . 106 Val CA . 16776 1
139 . 1 . 1 13 13 VAL CB C 13 31.797 0.065 . 1 . . . . . 106 Val CB . 16776 1
140 . 1 . 1 13 13 VAL CG1 C 13 19.716 0 . 2 . . . . . 106 Val CG1 . 16776 1
141 . 1 . 1 13 13 VAL CG2 C 13 20.819 0 . 2 . . . . . 106 Val CG2 . 16776 1
142 . 1 . 1 13 13 VAL N N 15 123.025 0.018 . 1 . . . . . 106 Val N . 16776 1
143 . 1 . 1 14 14 ASP H H 1 8.307 0.004 . 1 . . . . . 107 Asp H . 16776 1
144 . 1 . 1 14 14 ASP HA H 1 4.799 0.011 . 1 . . . . . 107 Asp HA . 16776 1
145 . 1 . 1 14 14 ASP HB2 H 1 2.803 0.003 . 2 . . . . . 107 Asp HB2 . 16776 1
146 . 1 . 1 14 14 ASP HB3 H 1 2.572 0.005 . 2 . . . . . 107 Asp HB3 . 16776 1
147 . 1 . 1 14 14 ASP CA C 13 51.35 0.101 . 1 . . . . . 107 Asp CA . 16776 1
148 . 1 . 1 14 14 ASP CB C 13 39.111 0.049 . 1 . . . . . 107 Asp CB . 16776 1
149 . 1 . 1 14 14 ASP N N 15 125.566 0.028 . 1 . . . . . 107 Asp N . 16776 1
150 . 1 . 1 15 15 LEU H H 1 8.665 0.003 . 1 . . . . . 108 Leu H . 16776 1
151 . 1 . 1 15 15 LEU HA H 1 3.772 0.004 . 1 . . . . . 108 Leu HA . 16776 1
152 . 1 . 1 15 15 LEU HB2 H 1 1.821 0.016 . 2 . . . . . 108 Leu HB2 . 16776 1
153 . 1 . 1 15 15 LEU HB3 H 1 1.368 0.003 . 2 . . . . . 108 Leu HB3 . 16776 1
154 . 1 . 1 15 15 LEU HD11 H 1 0.94 0.003 . . . . . . . 108 Leu QD1 . 16776 1
155 . 1 . 1 15 15 LEU HD12 H 1 0.94 0.003 . . . . . . . 108 Leu QD1 . 16776 1
156 . 1 . 1 15 15 LEU HD13 H 1 0.94 0.003 . . . . . . . 108 Leu QD1 . 16776 1
157 . 1 . 1 15 15 LEU HD21 H 1 0.697 0.003 . . . . . . . 108 Leu QD2 . 16776 1
158 . 1 . 1 15 15 LEU HD22 H 1 0.697 0.003 . . . . . . . 108 Leu QD2 . 16776 1
159 . 1 . 1 15 15 LEU HD23 H 1 0.697 0.003 . . . . . . . 108 Leu QD2 . 16776 1
160 . 1 . 1 15 15 LEU HG H 1 1.853 0 . 1 . . . . . 108 Leu HG . 16776 1
161 . 1 . 1 15 15 LEU CA C 13 56.681 0.044 . 1 . . . . . 108 Leu CA . 16776 1
162 . 1 . 1 15 15 LEU CB C 13 41.327 0.069 . 1 . . . . . 108 Leu CB . 16776 1
163 . 1 . 1 15 15 LEU CD1 C 13 25.957 0.108 . 2 . . . . . 108 Leu CD1 . 16776 1
164 . 1 . 1 15 15 LEU CD2 C 13 21.852 0.005 . 2 . . . . . 108 Leu CD2 . 16776 1
165 . 1 . 1 15 15 LEU CG C 13 25.856 0 . 1 . . . . . 108 Leu CG . 16776 1
166 . 1 . 1 15 15 LEU N N 15 126.652 0.009 . 1 . . . . . 108 Leu N . 16776 1
167 . 1 . 1 16 16 LYS H H 1 7.95 0.001 . 1 . . . . . 109 Lys H . 16776 1
168 . 1 . 1 16 16 LYS HA H 1 3.882 0 . 1 . . . . . 109 Lys HA . 16776 1
169 . 1 . 1 16 16 LYS HB2 H 1 1.946 0.007 . 2 . . . . . 109 Lys HB2 . 16776 1
170 . 1 . 1 16 16 LYS HB3 H 1 1.79 0.027 . 2 . . . . . 109 Lys HB3 . 16776 1
171 . 1 . 1 16 16 LYS HD2 H 1 1.745 0 . 2 . . . . . 109 Lys QD . 16776 1
172 . 1 . 1 16 16 LYS HD3 H 1 1.745 0 . 2 . . . . . 109 Lys QD . 16776 1
173 . 1 . 1 16 16 LYS HE2 H 1 3.033 0.002 . 2 . . . . . 109 Lys QE . 16776 1
174 . 1 . 1 16 16 LYS HE3 H 1 3.033 0.002 . 2 . . . . . 109 Lys QE . 16776 1
175 . 1 . 1 16 16 LYS HG2 H 1 1.478 0 . 2 . . . . . 109 Lys QG . 16776 1
176 . 1 . 1 16 16 LYS HG3 H 1 1.478 0 . 2 . . . . . 109 Lys QG . 16776 1
177 . 1 . 1 16 16 LYS CA C 13 57.691 0.094 . 1 . . . . . 109 Lys CA . 16776 1
178 . 1 . 1 16 16 LYS CB C 13 30.454 0.033 . 1 . . . . . 109 Lys CB . 16776 1
179 . 1 . 1 16 16 LYS CD C 13 28.047 0 . 1 . . . . . 109 Lys CD . 16776 1
180 . 1 . 1 16 16 LYS CE C 13 40.373 0.071 . 1 . . . . . 109 Lys CE . 16776 1
181 . 1 . 1 16 16 LYS CG C 13 24.246 0.052 . 1 . . . . . 109 Lys CG . 16776 1
182 . 1 . 1 16 16 LYS N N 15 112.945 0.012 . 1 . . . . . 109 Lys N . 16776 1
183 . 1 . 1 17 17 LYS H H 1 7.522 0.004 . 1 . . . . . 110 Lys H . 16776 1
184 . 1 . 1 17 17 LYS HA H 1 4.26 0.001 . 1 . . . . . 110 Lys HA . 16776 1
185 . 1 . 1 17 17 LYS HB2 H 1 1.996 0.005 . 2 . . . . . 110 Lys HB2 . 16776 1
186 . 1 . 1 17 17 LYS HB3 H 1 1.795 0.005 . 2 . . . . . 110 Lys HB3 . 16776 1
187 . 1 . 1 17 17 LYS HD2 H 1 1.662 0 . 2 . . . . . 110 Lys QD . 16776 1
188 . 1 . 1 17 17 LYS HD3 H 1 1.662 0 . 2 . . . . . 110 Lys QD . 16776 1
189 . 1 . 1 17 17 LYS HE2 H 1 3.005 0.006 . 2 . . . . . 110 Lys QE . 16776 1
190 . 1 . 1 17 17 LYS HE3 H 1 3.005 0.006 . 2 . . . . . 110 Lys QE . 16776 1
191 . 1 . 1 17 17 LYS HG2 H 1 1.466 0 . 2 . . . . . 110 Lys HG2 . 16776 1
192 . 1 . 1 17 17 LYS HG3 H 1 1.315 0 . 2 . . . . . 110 Lys HG3 . 16776 1
193 . 1 . 1 17 17 LYS CA C 13 55.057 0.115 . 1 . . . . . 110 Lys CA . 16776 1
194 . 1 . 1 17 17 LYS CB C 13 31.792 0.057 . 1 . . . . . 110 Lys CB . 16776 1
195 . 1 . 1 17 17 LYS CD C 13 28.069 0 . 1 . . . . . 110 Lys CD . 16776 1
196 . 1 . 1 17 17 LYS CE C 13 41.082 0.021 . 1 . . . . . 110 Lys CE . 16776 1
197 . 1 . 1 17 17 LYS CG C 13 24.499 0 . 1 . . . . . 110 Lys CG . 16776 1
198 . 1 . 1 17 17 LYS N N 15 117.446 0.016 . 1 . . . . . 110 Lys N . 16776 1
199 . 1 . 1 18 18 LEU H H 1 7.144 0.002 . 1 . . . . . 111 Leu H . 16776 1
200 . 1 . 1 18 18 LEU HA H 1 4.354 0 . 1 . . . . . 111 Leu HA . 16776 1
201 . 1 . 1 18 18 LEU HB2 H 1 1.74 0.026 . 2 . . . . . 111 Leu HB2 . 16776 1
202 . 1 . 1 18 18 LEU HB3 H 1 1.481 0.001 . 2 . . . . . 111 Leu HB3 . 16776 1
203 . 1 . 1 18 18 LEU HD11 H 1 0.694 0.002 . . . . . . . 111 Leu QD1 . 16776 1
204 . 1 . 1 18 18 LEU HD12 H 1 0.694 0.002 . . . . . . . 111 Leu QD1 . 16776 1
205 . 1 . 1 18 18 LEU HD13 H 1 0.694 0.002 . . . . . . . 111 Leu QD1 . 16776 1
206 . 1 . 1 18 18 LEU HD21 H 1 0.678 0 . . . . . . . 111 Leu QD2 . 16776 1
207 . 1 . 1 18 18 LEU HD22 H 1 0.678 0 . . . . . . . 111 Leu QD2 . 16776 1
208 . 1 . 1 18 18 LEU HD23 H 1 0.678 0 . . . . . . . 111 Leu QD2 . 16776 1
209 . 1 . 1 18 18 LEU HG H 1 1.697 0 . 1 . . . . . 111 Leu HG . 16776 1
210 . 1 . 1 18 18 LEU CA C 13 53.566 0.055 . 1 . . . . . 111 Leu CA . 16776 1
211 . 1 . 1 18 18 LEU CB C 13 41.165 0.034 . 1 . . . . . 111 Leu CB . 16776 1
212 . 1 . 1 18 18 LEU CD1 C 13 24.59 0.056 . 2 . . . . . 111 Leu CD1 . 16776 1
213 . 1 . 1 18 18 LEU CD2 C 13 21.681 0.055 . 2 . . . . . 111 Leu CD2 . 16776 1
214 . 1 . 1 18 18 LEU CG C 13 26.337 0.005 . 1 . . . . . 111 Leu CG . 16776 1
215 . 1 . 1 18 18 LEU N N 15 121.138 0.018 . 1 . . . . . 111 Leu N . 16776 1
216 . 1 . 1 19 19 ARG H H 1 8.729 0.003 . 1 . . . . . 112 Arg H . 16776 1
217 . 1 . 1 19 19 ARG HA H 1 4.441 0 . 1 . . . . . 112 Arg HA . 16776 1
218 . 1 . 1 19 19 ARG HB2 H 1 2.167 0 . 2 . . . . . 112 Arg HB2 . 16776 1
219 . 1 . 1 19 19 ARG HB3 H 1 1.672 0.002 . 2 . . . . . 112 Arg HB3 . 16776 1
220 . 1 . 1 19 19 ARG HD2 H 1 3.219 0 . 2 . . . . . 112 Arg QD . 16776 1
221 . 1 . 1 19 19 ARG HD3 H 1 3.219 0 . 2 . . . . . 112 Arg QD . 16776 1
222 . 1 . 1 19 19 ARG HG2 H 1 1.806 0 . 2 . . . . . 112 Arg QG . 16776 1
223 . 1 . 1 19 19 ARG HG3 H 1 1.806 0 . 2 . . . . . 112 Arg QG . 16776 1
224 . 1 . 1 19 19 ARG CA C 13 53.939 0.092 . 1 . . . . . 112 Arg CA . 16776 1
225 . 1 . 1 19 19 ARG CB C 13 30.296 0.069 . 1 . . . . . 112 Arg CB . 16776 1
226 . 1 . 1 19 19 ARG CD C 13 42.364 0 . 1 . . . . . 112 Arg CD . 16776 1
227 . 1 . 1 19 19 ARG CG C 13 26.77 0.079 . 1 . . . . . 112 Arg CG . 16776 1
228 . 1 . 1 19 19 ARG N N 15 118.855 0.008 . 1 . . . . . 112 Arg N . 16776 1
229 . 1 . 1 20 20 VAL H H 1 9.047 0.003 . 1 . . . . . 113 Val H . 16776 1
230 . 1 . 1 20 20 VAL HA H 1 3.24 0 . 1 . . . . . 113 Val HA . 16776 1
231 . 1 . 1 20 20 VAL HB H 1 1.956 0 . 1 . . . . . 113 Val HB . 16776 1
232 . 1 . 1 20 20 VAL HG11 H 1 0.581 0.005 . . . . . . . 113 Val QG1 . 16776 1
233 . 1 . 1 20 20 VAL HG12 H 1 0.581 0.005 . . . . . . . 113 Val QG1 . 16776 1
234 . 1 . 1 20 20 VAL HG13 H 1 0.581 0.005 . . . . . . . 113 Val QG1 . 16776 1
235 . 1 . 1 20 20 VAL HG21 H 1 0.954 0.001 . . . . . . . 113 Val QG2 . 16776 1
236 . 1 . 1 20 20 VAL HG22 H 1 0.954 0.001 . . . . . . . 113 Val QG2 . 16776 1
237 . 1 . 1 20 20 VAL HG23 H 1 0.954 0.001 . . . . . . . 113 Val QG2 . 16776 1
238 . 1 . 1 20 20 VAL CA C 13 67.108 0.079 . 1 . . . . . 113 Val CA . 16776 1
239 . 1 . 1 20 20 VAL CB C 13 29.892 0.024 . 1 . . . . . 113 Val CB . 16776 1
240 . 1 . 1 20 20 VAL CG1 C 13 19.791 0.063 . 2 . . . . . 113 Val CG1 . 16776 1
241 . 1 . 1 20 20 VAL CG2 C 13 22.529 0.009 . 2 . . . . . 113 Val CG2 . 16776 1
242 . 1 . 1 20 20 VAL N N 15 123.244 0.013 . 1 . . . . . 113 Val N . 16776 1
243 . 1 . 1 21 21 LYS H H 1 8.435 0.004 . 1 . . . . . 114 Lys H . 16776 1
244 . 1 . 1 21 21 LYS HA H 1 3.801 0.001 . 1 . . . . . 114 Lys HA . 16776 1
245 . 1 . 1 21 21 LYS HB2 H 1 1.774 0.007 . 2 . . . . . 114 Lys HB2 . 16776 1
246 . 1 . 1 21 21 LYS HB3 H 1 1.607 0.001 . 2 . . . . . 114 Lys HB3 . 16776 1
247 . 1 . 1 21 21 LYS HD2 H 1 1.625 0 . 2 . . . . . 114 Lys QD . 16776 1
248 . 1 . 1 21 21 LYS HD3 H 1 1.625 0 . 2 . . . . . 114 Lys QD . 16776 1
249 . 1 . 1 21 21 LYS HE2 H 1 2.919 0 . 2 . . . . . 114 Lys QE . 16776 1
250 . 1 . 1 21 21 LYS HE3 H 1 2.919 0 . 2 . . . . . 114 Lys QE . 16776 1
251 . 1 . 1 21 21 LYS HG2 H 1 1.307 0 . 2 . . . . . 114 Lys QG . 16776 1
252 . 1 . 1 21 21 LYS HG3 H 1 1.307 0 . 2 . . . . . 114 Lys QG . 16776 1
253 . 1 . 1 21 21 LYS CA C 13 58.851 0.147 . 1 . . . . . 114 Lys CA . 16776 1
254 . 1 . 1 21 21 LYS CB C 13 31.278 0.056 . 1 . . . . . 114 Lys CB . 16776 1
255 . 1 . 1 21 21 LYS CD C 13 28.424 0.102 . 1 . . . . . 114 Lys CD . 16776 1
256 . 1 . 1 21 21 LYS CE C 13 41.058 0 . 1 . . . . . 114 Lys CE . 16776 1
257 . 1 . 1 21 21 LYS CG C 13 23.793 0.008 . 1 . . . . . 114 Lys CG . 16776 1
258 . 1 . 1 21 21 LYS N N 15 117.028 0.012 . 1 . . . . . 114 Lys N . 16776 1
259 . 1 . 1 22 22 GLU H H 1 6.931 0.003 . 1 . . . . . 115 Glu H . 16776 1
260 . 1 . 1 22 22 GLU HA H 1 3.945 0.002 . 1 . . . . . 115 Glu HA . 16776 1
261 . 1 . 1 22 22 GLU HB2 H 1 2.369 0 . 2 . . . . . 115 Glu HB2 . 16776 1
262 . 1 . 1 22 22 GLU HB3 H 1 1.91 0.002 . 2 . . . . . 115 Glu HB3 . 16776 1
263 . 1 . 1 22 22 GLU HG2 H 1 2.302 0.008 . 2 . . . . . 115 Glu HG2 . 16776 1
264 . 1 . 1 22 22 GLU HG3 H 1 2.115 0.002 . 2 . . . . . 115 Glu HG3 . 16776 1
265 . 1 . 1 22 22 GLU CA C 13 57.916 0.069 . 1 . . . . . 115 Glu CA . 16776 1
266 . 1 . 1 22 22 GLU CB C 13 29.422 0.048 . 1 . . . . . 115 Glu CB . 16776 1
267 . 1 . 1 22 22 GLU CG C 13 36.818 0.011 . 1 . . . . . 115 Glu CG . 16776 1
268 . 1 . 1 22 22 GLU N N 15 118.362 0.031 . 1 . . . . . 115 Glu N . 16776 1
269 . 1 . 1 23 23 LEU H H 1 7.671 0.001 . 1 . . . . . 116 Leu H . 16776 1
270 . 1 . 1 23 23 LEU HA H 1 3.8 0.004 . 1 . . . . . 116 Leu HA . 16776 1
271 . 1 . 1 23 23 LEU HB2 H 1 1.611 0.017 . 2 . . . . . 116 Leu HB2 . 16776 1
272 . 1 . 1 23 23 LEU HB3 H 1 1.125 0.005 . 2 . . . . . 116 Leu HB3 . 16776 1
273 . 1 . 1 23 23 LEU HD11 H 1 0.774 0 . . . . . . . 116 Leu QD1 . 16776 1
274 . 1 . 1 23 23 LEU HD12 H 1 0.774 0 . . . . . . . 116 Leu QD1 . 16776 1
275 . 1 . 1 23 23 LEU HD13 H 1 0.774 0 . . . . . . . 116 Leu QD1 . 16776 1
276 . 1 . 1 23 23 LEU HD21 H 1 0.797 0.004 . . . . . . . 116 Leu QD2 . 16776 1
277 . 1 . 1 23 23 LEU HD22 H 1 0.797 0.004 . . . . . . . 116 Leu QD2 . 16776 1
278 . 1 . 1 23 23 LEU HD23 H 1 0.797 0.004 . . . . . . . 116 Leu QD2 . 16776 1
279 . 1 . 1 23 23 LEU CA C 13 56.524 0.088 . 1 . . . . . 116 Leu CA . 16776 1
280 . 1 . 1 23 23 LEU CB C 13 40.218 0.087 . 1 . . . . . 116 Leu CB . 16776 1
281 . 1 . 1 23 23 LEU CD1 C 13 25.609 0.027 . 2 . . . . . 116 Leu CD1 . 16776 1
282 . 1 . 1 23 23 LEU CD2 C 13 23.841 0.002 . 2 . . . . . 116 Leu CD2 . 16776 1
283 . 1 . 1 23 23 LEU N N 15 121.974 0.01 . 1 . . . . . 116 Leu N . 16776 1
284 . 1 . 1 24 24 LYS H H 1 8.316 0.002 . 1 . . . . . 117 Lys H . 16776 1
285 . 1 . 1 24 24 LYS HA H 1 3.633 0 . 1 . . . . . 117 Lys HA . 16776 1
286 . 1 . 1 24 24 LYS HB2 H 1 1.626 0.005 . 2 . . . . . 117 Lys HB2 . 16776 1
287 . 1 . 1 24 24 LYS HB3 H 1 1.388 0 . 2 . . . . . 117 Lys HB3 . 16776 1
288 . 1 . 1 24 24 LYS HE2 H 1 2.962 0 . 2 . . . . . 117 Lys QE . 16776 1
289 . 1 . 1 24 24 LYS HE3 H 1 2.962 0 . 2 . . . . . 117 Lys QE . 16776 1
290 . 1 . 1 24 24 LYS HG2 H 1 1.404 0.046 . 2 . . . . . 117 Lys HG2 . 16776 1
291 . 1 . 1 24 24 LYS HG3 H 1 1.253 0.007 . 2 . . . . . 117 Lys HG3 . 16776 1
292 . 1 . 1 24 24 LYS CA C 13 58.74 0.107 . 1 . . . . . 117 Lys CA . 16776 1
293 . 1 . 1 24 24 LYS CB C 13 31.323 0.048 . 1 . . . . . 117 Lys CB . 16776 1
294 . 1 . 1 24 24 LYS CD C 13 28.6 0 . 1 . . . . . 117 Lys CD . 16776 1
295 . 1 . 1 24 24 LYS CE C 13 41.134 0 . 1 . . . . . 117 Lys CE . 16776 1
296 . 1 . 1 24 24 LYS CG C 13 24.461 0.009 . 1 . . . . . 117 Lys CG . 16776 1
297 . 1 . 1 24 24 LYS N N 15 117.806 0.009 . 1 . . . . . 117 Lys N . 16776 1
298 . 1 . 1 25 25 LYS H H 1 7.032 0.004 . 1 . . . . . 118 Lys H . 16776 1
299 . 1 . 1 25 25 LYS HA H 1 3.974 0.002 . 1 . . . . . 118 Lys HA . 16776 1
300 . 1 . 1 25 25 LYS HB2 H 1 1.854 0.004 . 2 . . . . . 118 Lys QB . 16776 1
301 . 1 . 1 25 25 LYS HB3 H 1 1.854 0.004 . 2 . . . . . 118 Lys QB . 16776 1
302 . 1 . 1 25 25 LYS HD2 H 1 1.72 0 . 2 . . . . . 118 Lys HD2 . 16776 1
303 . 1 . 1 25 25 LYS HD3 H 1 1.655 0 . 2 . . . . . 118 Lys HD3 . 16776 1
304 . 1 . 1 25 25 LYS HE2 H 1 2.957 0 . 2 . . . . . 118 Lys QE . 16776 1
305 . 1 . 1 25 25 LYS HE3 H 1 2.957 0 . 2 . . . . . 118 Lys QE . 16776 1
306 . 1 . 1 25 25 LYS HG2 H 1 1.385 0.004 . 2 . . . . . 118 Lys QG . 16776 1
307 . 1 . 1 25 25 LYS HG3 H 1 1.385 0.004 . 2 . . . . . 118 Lys QG . 16776 1
308 . 1 . 1 25 25 LYS CA C 13 57.899 0.052 . 1 . . . . . 118 Lys CA . 16776 1
309 . 1 . 1 25 25 LYS CB C 13 31.032 0.083 . 1 . . . . . 118 Lys CB . 16776 1
310 . 1 . 1 25 25 LYS CD C 13 27.911 0.019 . 1 . . . . . 118 Lys CD . 16776 1
311 . 1 . 1 25 25 LYS CE C 13 41.666 0 . 1 . . . . . 118 Lys CE . 16776 1
312 . 1 . 1 25 25 LYS CG C 13 23.77 0.003 . 1 . . . . . 118 Lys CG . 16776 1
313 . 1 . 1 25 25 LYS N N 15 118.869 0.012 . 1 . . . . . 118 Lys N . 16776 1
314 . 1 . 1 26 26 ILE H H 1 6.927 0.004 . 1 . . . . . 119 Ile H . 16776 1
315 . 1 . 1 26 26 ILE HA H 1 3.192 0.001 . 1 . . . . . 119 Ile HA . 16776 1
316 . 1 . 1 26 26 ILE HB H 1 1.586 0.004 . 1 . . . . . 119 Ile HB . 16776 1
317 . 1 . 1 26 26 ILE HD11 H 1 0.592 0.004 . . . . . . . 119 Ile QD1 . 16776 1
318 . 1 . 1 26 26 ILE HD12 H 1 0.592 0.004 . . . . . . . 119 Ile QD1 . 16776 1
319 . 1 . 1 26 26 ILE HD13 H 1 0.592 0.004 . . . . . . . 119 Ile QD1 . 16776 1
320 . 1 . 1 26 26 ILE HG12 H 1 1.634 0 . 2 . . . . . 119 Ile HG12 . 16776 1
321 . 1 . 1 26 26 ILE HG13 H 1 0.651 0 . 2 . . . . . 119 Ile HG13 . 16776 1
322 . 1 . 1 26 26 ILE HG21 H 1 -0.305 0.001 . . . . . . . 119 Ile QG2 . 16776 1
323 . 1 . 1 26 26 ILE HG22 H 1 -0.305 0.001 . . . . . . . 119 Ile QG2 . 16776 1
324 . 1 . 1 26 26 ILE HG23 H 1 -0.305 0.001 . . . . . . . 119 Ile QG2 . 16776 1
325 . 1 . 1 26 26 ILE CA C 13 63.878 0.111 . 1 . . . . . 119 Ile CA . 16776 1
326 . 1 . 1 26 26 ILE CB C 13 36.5 0.078 . 1 . . . . . 119 Ile CB . 16776 1
327 . 1 . 1 26 26 ILE CD1 C 13 12.96 0.03 . 1 . . . . . 119 Ile CD1 . 16776 1
328 . 1 . 1 26 26 ILE CG1 C 13 27.896 0.067 . 1 . . . . . 119 Ile CG1 . 16776 1
329 . 1 . 1 26 26 ILE CG2 C 13 14.43 0.006 . 1 . . . . . 119 Ile CG2 . 16776 1
330 . 1 . 1 26 26 ILE N N 15 118.844 0.12 . 1 . . . . . 119 Ile N . 16776 1
331 . 1 . 1 27 27 LEU H H 1 6.524 0.001 . 1 . . . . . 120 Leu H . 16776 1
332 . 1 . 1 27 27 LEU HA H 1 3.728 0.002 . 1 . . . . . 120 Leu HA . 16776 1
333 . 1 . 1 27 27 LEU HB2 H 1 1.968 0.006 . 2 . . . . . 120 Leu HB2 . 16776 1
334 . 1 . 1 27 27 LEU HB3 H 1 1.373 0.003 . 2 . . . . . 120 Leu HB3 . 16776 1
335 . 1 . 1 27 27 LEU HD11 H 1 0.947 0.009 . . . . . . . 120 Leu QD1 . 16776 1
336 . 1 . 1 27 27 LEU HD12 H 1 0.947 0.009 . . . . . . . 120 Leu QD1 . 16776 1
337 . 1 . 1 27 27 LEU HD13 H 1 0.947 0.009 . . . . . . . 120 Leu QD1 . 16776 1
338 . 1 . 1 27 27 LEU HD21 H 1 0.829 0.006 . . . . . . . 120 Leu QD2 . 16776 1
339 . 1 . 1 27 27 LEU HD22 H 1 0.829 0.006 . . . . . . . 120 Leu QD2 . 16776 1
340 . 1 . 1 27 27 LEU HD23 H 1 0.829 0.006 . . . . . . . 120 Leu QD2 . 16776 1
341 . 1 . 1 27 27 LEU HG H 1 1.577 0.006 . 1 . . . . . 120 Leu HG . 16776 1
342 . 1 . 1 27 27 LEU CA C 13 56.743 0.075 . 1 . . . . . 120 Leu CA . 16776 1
343 . 1 . 1 27 27 LEU CB C 13 40.073 0.07 . 1 . . . . . 120 Leu CB . 16776 1
344 . 1 . 1 27 27 LEU CD1 C 13 26.619 0.009 . 2 . . . . . 120 Leu CD1 . 16776 1
345 . 1 . 1 27 27 LEU CD2 C 13 23.514 0.084 . 2 . . . . . 120 Leu CD2 . 16776 1
346 . 1 . 1 27 27 LEU CG C 13 25.646 0.164 . 1 . . . . . 120 Leu CG . 16776 1
347 . 1 . 1 27 27 LEU N N 15 115.879 0.023 . 1 . . . . . 120 Leu N . 16776 1
348 . 1 . 1 28 28 ASP H H 1 8.888 0.003 . 1 . . . . . 121 Asp H . 16776 1
349 . 1 . 1 28 28 ASP HA H 1 4.332 0.001 . 1 . . . . . 121 Asp HA . 16776 1
350 . 1 . 1 28 28 ASP HB2 H 1 2.754 0 . 2 . . . . . 121 Asp HB2 . 16776 1
351 . 1 . 1 28 28 ASP HB3 H 1 2.635 0 . 2 . . . . . 121 Asp HB3 . 16776 1
352 . 1 . 1 28 28 ASP CA C 13 56.445 0.112 . 1 . . . . . 121 Asp CA . 16776 1
353 . 1 . 1 28 28 ASP CB C 13 39.17 0.02 . 1 . . . . . 121 Asp CB . 16776 1
354 . 1 . 1 28 28 ASP N N 15 121.595 0.015 . 1 . . . . . 121 Asp N . 16776 1
355 . 1 . 1 29 29 ASP H H 1 8.581 0.002 . 1 . . . . . 122 Asp H . 16776 1
356 . 1 . 1 29 29 ASP HA H 1 4.389 0.001 . 1 . . . . . 122 Asp HA . 16776 1
357 . 1 . 1 29 29 ASP HB2 H 1 2.722 0 . 2 . . . . . 122 Asp HB2 . 16776 1
358 . 1 . 1 29 29 ASP HB3 H 1 2.534 0 . 2 . . . . . 122 Asp HB3 . 16776 1
359 . 1 . 1 29 29 ASP CA C 13 56.033 0.087 . 1 . . . . . 122 Asp CA . 16776 1
360 . 1 . 1 29 29 ASP CB C 13 38.476 0.083 . 1 . . . . . 122 Asp CB . 16776 1
361 . 1 . 1 29 29 ASP N N 15 122.958 0.007 . 1 . . . . . 122 Asp N . 16776 1
362 . 1 . 1 30 30 TRP H H 1 7.419 0.003 . 1 . . . . . 123 Trp H . 16776 1
363 . 1 . 1 30 30 TRP HA H 1 4.685 0.001 . 1 . . . . . 123 Trp HA . 16776 1
364 . 1 . 1 30 30 TRP HB2 H 1 2.986 0.002 . 2 . . . . . 123 Trp HB2 . 16776 1
365 . 1 . 1 30 30 TRP HB3 H 1 2.393 0.002 . 2 . . . . . 123 Trp HB3 . 16776 1
366 . 1 . 1 30 30 TRP HD1 H 1 6.825 0.006 . 1 . . . . . 123 Trp HD1 . 16776 1
367 . 1 . 1 30 30 TRP HE1 H 1 9.76 0 . 1 . . . . . 123 Trp HE1 . 16776 1
368 . 1 . 1 30 30 TRP HE3 H 1 6.957 0 . 1 . . . . . 123 Trp HE3 . 16776 1
369 . 1 . 1 30 30 TRP HH2 H 1 6.971 0 . 1 . . . . . 123 Trp HH2 . 16776 1
370 . 1 . 1 30 30 TRP HZ2 H 1 7.243 0 . 1 . . . . . 123 Trp HZ2 . 16776 1
371 . 1 . 1 30 30 TRP CA C 13 54.113 0.05 . 1 . . . . . 123 Trp CA . 16776 1
372 . 1 . 1 30 30 TRP CB C 13 28.498 0.06 . 1 . . . . . 123 Trp CB . 16776 1
373 . 1 . 1 30 30 TRP CD1 C 13 121.494 0 . 1 . . . . . 123 Trp CD1 . 16776 1
374 . 1 . 1 30 30 TRP CE3 C 13 119.468 0 . 1 . . . . . 123 Trp CE3 . 16776 1
375 . 1 . 1 30 30 TRP CH2 C 13 122.182 0 . 1 . . . . . 123 Trp CH2 . 16776 1
376 . 1 . 1 30 30 TRP CZ2 C 13 112.994 0 . 1 . . . . . 123 Trp CZ2 . 16776 1
377 . 1 . 1 30 30 TRP N N 15 120.444 0.014 . 1 . . . . . 123 Trp N . 16776 1
378 . 1 . 1 30 30 TRP NE1 N 15 126.26 0 . 1 . . . . . 123 Trp NE1 . 16776 1
379 . 1 . 1 31 31 GLY H H 1 8.164 0.001 . 1 . . . . . 124 Gly H . 16776 1
380 . 1 . 1 31 31 GLY HA2 H 1 4.125 0.001 . 2 . . . . . 124 Gly HA2 . 16776 1
381 . 1 . 1 31 31 GLY HA3 H 1 3.886 0.002 . 2 . . . . . 124 Gly HA3 . 16776 1
382 . 1 . 1 31 31 GLY CA C 13 44.825 0.02 . 1 . . . . . 124 Gly CA . 16776 1
383 . 1 . 1 31 31 GLY N N 15 109.12 0.007 . 1 . . . . . 124 Gly N . 16776 1
384 . 1 . 1 32 32 GLU H H 1 8.084 0.001 . 1 . . . . . 125 Glu H . 16776 1
385 . 1 . 1 32 32 GLU HA H 1 4.673 0.002 . 1 . . . . . 125 Glu HA . 16776 1
386 . 1 . 1 32 32 GLU HB2 H 1 2.208 0.011 . 2 . . . . . 125 Glu HB2 . 16776 1
387 . 1 . 1 32 32 GLU HB3 H 1 1.697 0 . 2 . . . . . 125 Glu HB3 . 16776 1
388 . 1 . 1 32 32 GLU HG2 H 1 2.391 0.009 . 2 . . . . . 125 Glu HG2 . 16776 1
389 . 1 . 1 32 32 GLU HG3 H 1 2.271 0 . 2 . . . . . 125 Glu HG3 . 16776 1
390 . 1 . 1 32 32 GLU CA C 13 53.671 0.028 . 1 . . . . . 125 Glu CA . 16776 1
391 . 1 . 1 32 32 GLU CB C 13 31.46 0.075 . 1 . . . . . 125 Glu CB . 16776 1
392 . 1 . 1 32 32 GLU CG C 13 34.064 0.079 . 1 . . . . . 125 Glu CG . 16776 1
393 . 1 . 1 32 32 GLU N N 15 120.29 0.008 . 1 . . . . . 125 Glu N . 16776 1
394 . 1 . 1 33 33 THR H H 1 8.393 0.002 . 1 . . . . . 126 Thr H . 16776 1
395 . 1 . 1 33 33 THR HA H 1 4.368 0 . 1 . . . . . 126 Thr HA . 16776 1
396 . 1 . 1 33 33 THR HB H 1 4.095 0 . 1 . . . . . 126 Thr HB . 16776 1
397 . 1 . 1 33 33 THR HG21 H 1 1.171 0 . . . . . . . 126 Thr QG2 . 16776 1
398 . 1 . 1 33 33 THR HG22 H 1 1.171 0 . . . . . . . 126 Thr QG2 . 16776 1
399 . 1 . 1 33 33 THR HG23 H 1 1.171 0 . . . . . . . 126 Thr QG2 . 16776 1
400 . 1 . 1 33 33 THR CA C 13 59.872 0.02 . 1 . . . . . 126 Thr CA . 16776 1
401 . 1 . 1 33 33 THR CB C 13 70.254 0.033 . 1 . . . . . 126 Thr CB . 16776 1
402 . 1 . 1 33 33 THR CG2 C 13 20.208 0 . 1 . . . . . 126 Thr CG2 . 16776 1
403 . 1 . 1 33 33 THR N N 15 113.556 0.014 . 1 . . . . . 126 Thr N . 16776 1
404 . 1 . 1 34 34 CYS HB2 H 1 3.366 0 . 2 . . . . . 127 Cys QB . 16776 1
405 . 1 . 1 34 34 CYS HB3 H 1 3.366 0 . 2 . . . . . 127 Cys QB . 16776 1
406 . 1 . 1 34 34 CYS CB C 13 33.578 0 . 1 . . . . . 127 Cys CB . 16776 1
407 . 1 . 1 35 35 LYS HA H 1 4.125 0 . 1 . . . . . 128 Lys HA . 16776 1
408 . 1 . 1 35 35 LYS CA C 13 57.378 0 . 1 . . . . . 128 Lys CA . 16776 1
409 . 1 . 1 36 36 GLY HA2 H 1 3.894 0.012 . 2 . . . . . 129 Gly HA2 . 16776 1
410 . 1 . 1 36 36 GLY HA3 H 1 3.791 0.008 . 2 . . . . . 129 Gly HA3 . 16776 1
411 . 1 . 1 36 36 GLY CA C 13 44.301 0.022 . 1 . . . . . 129 Gly CA . 16776 1
412 . 1 . 1 37 37 CYS H H 1 7.353 0.001 . 1 . . . . . 130 Cys H . 16776 1
413 . 1 . 1 37 37 CYS HA H 1 4.02 0 . 1 . . . . . 130 Cys HA . 16776 1
414 . 1 . 1 37 37 CYS HB2 H 1 2.633 0 . 2 . . . . . 130 Cys QB . 16776 1
415 . 1 . 1 37 37 CYS HB3 H 1 2.633 0 . 2 . . . . . 130 Cys QB . 16776 1
416 . 1 . 1 37 37 CYS CA C 13 54.486 0 . 1 . . . . . 130 Cys CA . 16776 1
417 . 1 . 1 37 37 CYS CB C 13 37.192 0 . 1 . . . . . 130 Cys CB . 16776 1
418 . 1 . 1 37 37 CYS N N 15 119.16 0.006 . 1 . . . . . 130 Cys N . 16776 1
419 . 1 . 1 38 38 ALA H H 1 9.259 0.001 . 1 . . . . . 131 Ala H . 16776 1
420 . 1 . 1 38 38 ALA HA H 1 4.647 0 . 1 . . . . . 131 Ala HA . 16776 1
421 . 1 . 1 38 38 ALA HB1 H 1 1.461 0.001 . . . . . . . 131 Ala QB . 16776 1
422 . 1 . 1 38 38 ALA HB2 H 1 1.461 0.001 . . . . . . . 131 Ala QB . 16776 1
423 . 1 . 1 38 38 ALA HB3 H 1 1.461 0.001 . . . . . . . 131 Ala QB . 16776 1
424 . 1 . 1 38 38 ALA CA C 13 52.627 0.121 . 1 . . . . . 131 Ala CA . 16776 1
425 . 1 . 1 38 38 ALA CB C 13 21.1 0.044 . 1 . . . . . 131 Ala CB . 16776 1
426 . 1 . 1 38 38 ALA N N 15 126.666 0.008 . 1 . . . . . 131 Ala N . 16776 1
427 . 1 . 1 39 39 GLU H H 1 8.278 0.004 . 1 . . . . . 132 Glu H . 16776 1
428 . 1 . 1 39 39 GLU HA H 1 4.791 0 . 1 . . . . . 132 Glu HA . 16776 1
429 . 1 . 1 39 39 GLU HB2 H 1 2.356 0 . 2 . . . . . 132 Glu HB2 . 16776 1
430 . 1 . 1 39 39 GLU HB3 H 1 1.917 0 . 2 . . . . . 132 Glu HB3 . 16776 1
431 . 1 . 1 39 39 GLU HG2 H 1 2.358 0 . 2 . . . . . 132 Glu HG2 . 16776 1
432 . 1 . 1 39 39 GLU HG3 H 1 2.325 0 . 2 . . . . . 132 Glu HG3 . 16776 1
433 . 1 . 1 39 39 GLU CA C 13 53.059 0.179 . 1 . . . . . 132 Glu CA . 16776 1
434 . 1 . 1 39 39 GLU CB C 13 31.3 0.027 . 1 . . . . . 132 Glu CB . 16776 1
435 . 1 . 1 39 39 GLU CG C 13 34.759 0.013 . 1 . . . . . 132 Glu CG . 16776 1
436 . 1 . 1 39 39 GLU N N 15 118.141 0.019 . 1 . . . . . 132 Glu N . 16776 1
437 . 1 . 1 40 40 LYS H H 1 8.307 0 . 1 . . . . . 133 Lys H . 16776 1
438 . 1 . 1 40 40 LYS HA H 1 3.891 0.001 . 1 . . . . . 133 Lys HA . 16776 1
439 . 1 . 1 40 40 LYS HB2 H 1 1.893 0 . 2 . . . . . 133 Lys QB . 16776 1
440 . 1 . 1 40 40 LYS HB3 H 1 1.893 0 . 2 . . . . . 133 Lys QB . 16776 1
441 . 1 . 1 40 40 LYS HD2 H 1 1.808 0.039 . 2 . . . . . 133 Lys QD . 16776 1
442 . 1 . 1 40 40 LYS HD3 H 1 1.808 0.039 . 2 . . . . . 133 Lys QD . 16776 1
443 . 1 . 1 40 40 LYS HE2 H 1 3.045 0 . 2 . . . . . 133 Lys QE . 16776 1
444 . 1 . 1 40 40 LYS HE3 H 1 3.045 0 . 2 . . . . . 133 Lys QE . 16776 1
445 . 1 . 1 40 40 LYS HG2 H 1 1.329 0.016 . 2 . . . . . 133 Lys QG . 16776 1
446 . 1 . 1 40 40 LYS HG3 H 1 1.329 0.016 . 2 . . . . . 133 Lys QG . 16776 1
447 . 1 . 1 40 40 LYS CA C 13 60.814 0.136 . 1 . . . . . 133 Lys CA . 16776 1
448 . 1 . 1 40 40 LYS CB C 13 31.17 0.112 . 1 . . . . . 133 Lys CB . 16776 1
449 . 1 . 1 40 40 LYS CD C 13 28.688 0.061 . 1 . . . . . 133 Lys CD . 16776 1
450 . 1 . 1 40 40 LYS CG C 13 24.442 0.003 . 1 . . . . . 133 Lys CG . 16776 1
451 . 1 . 1 40 40 LYS N N 15 123.307 0 . 1 . . . . . 133 Lys N . 16776 1
452 . 1 . 1 41 41 SER H H 1 8.859 0.002 . 1 . . . . . 134 Ser H . 16776 1
453 . 1 . 1 41 41 SER HA H 1 4.017 0.001 . 1 . . . . . 134 Ser HA . 16776 1
454 . 1 . 1 41 41 SER HB2 H 1 3.939 0 . 2 . . . . . 134 Ser QB . 16776 1
455 . 1 . 1 41 41 SER HB3 H 1 3.939 0 . 2 . . . . . 134 Ser QB . 16776 1
456 . 1 . 1 41 41 SER CA C 13 60.686 0.08 . 1 . . . . . 134 Ser CA . 16776 1
457 . 1 . 1 41 41 SER CB C 13 60.972 0.013 . 1 . . . . . 134 Ser CB . 16776 1
458 . 1 . 1 41 41 SER N N 15 112.098 0.012 . 1 . . . . . 134 Ser N . 16776 1
459 . 1 . 1 42 42 ASP H H 1 7.627 0.004 . 1 . . . . . 135 Asp H . 16776 1
460 . 1 . 1 42 42 ASP HA H 1 4.398 0.001 . 1 . . . . . 135 Asp HA . 16776 1
461 . 1 . 1 42 42 ASP HB2 H 1 2.839 0.006 . 2 . . . . . 135 Asp QB . 16776 1
462 . 1 . 1 42 42 ASP HB3 H 1 2.839 0.006 . 2 . . . . . 135 Asp QB . 16776 1
463 . 1 . 1 42 42 ASP CA C 13 56.306 0.119 . 1 . . . . . 135 Asp CA . 16776 1
464 . 1 . 1 42 42 ASP CB C 13 39.764 0.007 . 1 . . . . . 135 Asp CB . 16776 1
465 . 1 . 1 42 42 ASP N N 15 122.577 0.009 . 1 . . . . . 135 Asp N . 16776 1
466 . 1 . 1 43 43 TYR H H 1 7.316 0.004 . 1 . . . . . 136 Tyr H . 16776 1
467 . 1 . 1 43 43 TYR HA H 1 4.097 0.002 . 1 . . . . . 136 Tyr HA . 16776 1
468 . 1 . 1 43 43 TYR HB2 H 1 3.124 0.005 . 2 . . . . . 136 Tyr HB2 . 16776 1
469 . 1 . 1 43 43 TYR HB3 H 1 2.709 0.002 . 2 . . . . . 136 Tyr HB3 . 16776 1
470 . 1 . 1 43 43 TYR HD1 H 1 6.965 0.005 . 3 . . . . . 136 Tyr QD . 16776 1
471 . 1 . 1 43 43 TYR HD2 H 1 6.965 0.005 . 3 . . . . . 136 Tyr QD . 16776 1
472 . 1 . 1 43 43 TYR HE1 H 1 6.556 0.003 . 3 . . . . . 136 Tyr QE . 16776 1
473 . 1 . 1 43 43 TYR HE2 H 1 6.556 0.003 . 3 . . . . . 136 Tyr QE . 16776 1
474 . 1 . 1 43 43 TYR CA C 13 61.305 0.126 . 1 . . . . . 136 Tyr CA . 16776 1
475 . 1 . 1 43 43 TYR CB C 13 39.055 0.069 . 1 . . . . . 136 Tyr CB . 16776 1
476 . 1 . 1 43 43 TYR CD1 C 13 131.799 0 . 3 . . . . . 136 Tyr CD1 . 16776 1
477 . 1 . 1 43 43 TYR CD2 C 13 131.799 0 . 3 . . . . . 136 Tyr CD2 . 16776 1
478 . 1 . 1 43 43 TYR CE1 C 13 116.938 0 . 3 . . . . . 136 Tyr CE1 . 16776 1
479 . 1 . 1 43 43 TYR CE2 C 13 116.938 0 . 3 . . . . . 136 Tyr CE2 . 16776 1
480 . 1 . 1 43 43 TYR N N 15 118.694 0.035 . 1 . . . . . 136 Tyr N . 16776 1
481 . 1 . 1 44 44 ILE H H 1 8.183 0.002 . 1 . . . . . 137 Ile H . 16776 1
482 . 1 . 1 44 44 ILE HA H 1 3.46 0 . 1 . . . . . 137 Ile HA . 16776 1
483 . 1 . 1 44 44 ILE HB H 1 1.764 0.007 . 1 . . . . . 137 Ile HB . 16776 1
484 . 1 . 1 44 44 ILE HD11 H 1 0.74 0.007 . . . . . . . 137 Ile QD1 . 16776 1
485 . 1 . 1 44 44 ILE HD12 H 1 0.74 0.007 . . . . . . . 137 Ile QD1 . 16776 1
486 . 1 . 1 44 44 ILE HD13 H 1 0.74 0.007 . . . . . . . 137 Ile QD1 . 16776 1
487 . 1 . 1 44 44 ILE HG12 H 1 1.829 0 . 2 . . . . . 137 Ile HG12 . 16776 1
488 . 1 . 1 44 44 ILE HG13 H 1 0.799 0 . 2 . . . . . 137 Ile HG13 . 16776 1
489 . 1 . 1 44 44 ILE HG21 H 1 0.89 0.001 . . . . . . . 137 Ile QG2 . 16776 1
490 . 1 . 1 44 44 ILE HG22 H 1 0.89 0.001 . . . . . . . 137 Ile QG2 . 16776 1
491 . 1 . 1 44 44 ILE HG23 H 1 0.89 0.001 . . . . . . . 137 Ile QG2 . 16776 1
492 . 1 . 1 44 44 ILE CA C 13 65.534 0.113 . 1 . . . . . 137 Ile CA . 16776 1
493 . 1 . 1 44 44 ILE CB C 13 37.311 0.058 . 1 . . . . . 137 Ile CB . 16776 1
494 . 1 . 1 44 44 ILE CD1 C 13 12.498 0.005 . 1 . . . . . 137 Ile CD1 . 16776 1
495 . 1 . 1 44 44 ILE CG1 C 13 29.659 0.077 . 1 . . . . . 137 Ile CG1 . 16776 1
496 . 1 . 1 44 44 ILE CG2 C 13 15.655 0.021 . 1 . . . . . 137 Ile CG2 . 16776 1
497 . 1 . 1 44 44 ILE N N 15 119.524 0.013 . 1 . . . . . 137 Ile N . 16776 1
498 . 1 . 1 45 45 ARG H H 1 7.898 0.002 . 1 . . . . . 138 Arg H . 16776 1
499 . 1 . 1 45 45 ARG HA H 1 4.083 0 . 1 . . . . . 138 Arg HA . 16776 1
500 . 1 . 1 45 45 ARG HB2 H 1 1.972 0 . 2 . . . . . 138 Arg HB2 . 16776 1
501 . 1 . 1 45 45 ARG HB3 H 1 1.921 0 . 2 . . . . . 138 Arg HB3 . 16776 1
502 . 1 . 1 45 45 ARG HD2 H 1 3.265 0.002 . 2 . . . . . 138 Arg QD . 16776 1
503 . 1 . 1 45 45 ARG HD3 H 1 3.265 0.002 . 2 . . . . . 138 Arg QD . 16776 1
504 . 1 . 1 45 45 ARG HG2 H 1 1.795 0 . 2 . . . . . 138 Arg HG2 . 16776 1
505 . 1 . 1 45 45 ARG HG3 H 1 1.617 0 . 2 . . . . . 138 Arg HG3 . 16776 1
506 . 1 . 1 45 45 ARG CA C 13 58.816 0.025 . 1 . . . . . 138 Arg CA . 16776 1
507 . 1 . 1 45 45 ARG CB C 13 29.163 0.089 . 1 . . . . . 138 Arg CB . 16776 1
508 . 1 . 1 45 45 ARG CD C 13 42.347 0.033 . 1 . . . . . 138 Arg CD . 16776 1
509 . 1 . 1 45 45 ARG CG C 13 26.749 0.036 . 1 . . . . . 138 Arg CG . 16776 1
510 . 1 . 1 45 45 ARG N N 15 118.906 0.013 . 1 . . . . . 138 Arg N . 16776 1
511 . 1 . 1 46 46 LYS H H 1 7.409 0.003 . 1 . . . . . 139 Lys H . 16776 1
512 . 1 . 1 46 46 LYS HA H 1 4.254 0.002 . 1 . . . . . 139 Lys HA . 16776 1
513 . 1 . 1 46 46 LYS HB2 H 1 1.987 0.05 . 2 . . . . . 139 Lys HB2 . 16776 1
514 . 1 . 1 46 46 LYS HB3 H 1 1.878 0.059 . 2 . . . . . 139 Lys HB3 . 16776 1
515 . 1 . 1 46 46 LYS HD2 H 1 1.935 0 . 2 . . . . . 139 Lys HD2 . 16776 1
516 . 1 . 1 46 46 LYS HD3 H 1 1.86 0 . 2 . . . . . 139 Lys HD3 . 16776 1
517 . 1 . 1 46 46 LYS HE2 H 1 3.096 0 . 2 . . . . . 139 Lys HE2 . 16776 1
518 . 1 . 1 46 46 LYS HE3 H 1 2.967 0 . 2 . . . . . 139 Lys HE3 . 16776 1
519 . 1 . 1 46 46 LYS HG2 H 1 1.564 0.003 . 2 . . . . . 139 Lys QG . 16776 1
520 . 1 . 1 46 46 LYS HG3 H 1 1.564 0.003 . 2 . . . . . 139 Lys QG . 16776 1
521 . 1 . 1 46 46 LYS CA C 13 56.633 0.073 . 1 . . . . . 139 Lys CA . 16776 1
522 . 1 . 1 46 46 LYS CB C 13 30.454 0.046 . 1 . . . . . 139 Lys CB . 16776 1
523 . 1 . 1 46 46 LYS CD C 13 26.27 0.031 . 1 . . . . . 139 Lys CD . 16776 1
524 . 1 . 1 46 46 LYS CE C 13 41.038 0 . 1 . . . . . 139 Lys CE . 16776 1
525 . 1 . 1 46 46 LYS CG C 13 23.438 0.092 . 1 . . . . . 139 Lys CG . 16776 1
526 . 1 . 1 46 46 LYS N N 15 119.878 0.015 . 1 . . . . . 139 Lys N . 16776 1
527 . 1 . 1 47 47 ILE H H 1 8.62 0.003 . 1 . . . . . 140 Ile H . 16776 1
528 . 1 . 1 47 47 ILE HA H 1 3.818 0 . 1 . . . . . 140 Ile HA . 16776 1
529 . 1 . 1 47 47 ILE HB H 1 1.854 0 . 1 . . . . . 140 Ile HB . 16776 1
530 . 1 . 1 47 47 ILE HD11 H 1 0.865 0.003 . . . . . . . 140 Ile QD1 . 16776 1
531 . 1 . 1 47 47 ILE HD12 H 1 0.865 0.003 . . . . . . . 140 Ile QD1 . 16776 1
532 . 1 . 1 47 47 ILE HD13 H 1 0.865 0.003 . . . . . . . 140 Ile QD1 . 16776 1
533 . 1 . 1 47 47 ILE HG12 H 1 1.852 0.002 . 2 . . . . . 140 Ile HG12 . 16776 1
534 . 1 . 1 47 47 ILE HG13 H 1 0.7 0 . 2 . . . . . 140 Ile HG13 . 16776 1
535 . 1 . 1 47 47 ILE HG21 H 1 0.994 0.002 . . . . . . . 140 Ile QG2 . 16776 1
536 . 1 . 1 47 47 ILE HG22 H 1 0.994 0.002 . . . . . . . 140 Ile QG2 . 16776 1
537 . 1 . 1 47 47 ILE HG23 H 1 0.994 0.002 . . . . . . . 140 Ile QG2 . 16776 1
538 . 1 . 1 47 47 ILE CA C 13 65.425 0.049 . 1 . . . . . 140 Ile CA . 16776 1
539 . 1 . 1 47 47 ILE CB C 13 37.253 0.063 . 1 . . . . . 140 Ile CB . 16776 1
540 . 1 . 1 47 47 ILE CD1 C 13 14.966 0.013 . 1 . . . . . 140 Ile CD1 . 16776 1
541 . 1 . 1 47 47 ILE CG1 C 13 30.189 0.083 . 1 . . . . . 140 Ile CG1 . 16776 1
542 . 1 . 1 47 47 ILE CG2 C 13 17.022 0.024 . 1 . . . . . 140 Ile CG2 . 16776 1
543 . 1 . 1 47 47 ILE N N 15 120.109 0.012 . 1 . . . . . 140 Ile N . 16776 1
544 . 1 . 1 48 48 ASN H H 1 8.602 0.002 . 1 . . . . . 141 Asn H . 16776 1
545 . 1 . 1 48 48 ASN HA H 1 4.577 0.002 . 1 . . . . . 141 Asn HA . 16776 1
546 . 1 . 1 48 48 ASN HB2 H 1 2.943 0 . 2 . . . . . 141 Asn HB2 . 16776 1
547 . 1 . 1 48 48 ASN HB3 H 1 2.763 0 . 2 . . . . . 141 Asn HB3 . 16776 1
548 . 1 . 1 48 48 ASN HD21 H 1 7.265 0 . 2 . . . . . 141 Asn HD21 . 16776 1
549 . 1 . 1 48 48 ASN HD22 H 1 6.629 0 . 2 . . . . . 141 Asn HD22 . 16776 1
550 . 1 . 1 48 48 ASN CA C 13 55.37 0.038 . 1 . . . . . 141 Asn CA . 16776 1
551 . 1 . 1 48 48 ASN CB C 13 37.161 0.014 . 1 . . . . . 141 Asn CB . 16776 1
552 . 1 . 1 48 48 ASN N N 15 117.865 0.012 . 1 . . . . . 141 Asn N . 16776 1
553 . 1 . 1 48 48 ASN ND2 N 15 110.357 0.001 . 1 . . . . . 141 Asn ND2 . 16776 1
554 . 1 . 1 49 49 GLU H H 1 8.041 0.003 . 1 . . . . . 142 Glu H . 16776 1
555 . 1 . 1 49 49 GLU HA H 1 4.062 0.004 . 1 . . . . . 142 Glu HA . 16776 1
556 . 1 . 1 49 49 GLU HB2 H 1 2.333 0 . 2 . . . . . 142 Glu HB2 . 16776 1
557 . 1 . 1 49 49 GLU HB3 H 1 2.283 0 . 2 . . . . . 142 Glu HB3 . 16776 1
558 . 1 . 1 49 49 GLU HG2 H 1 2.492 0.002 . 2 . . . . . 142 Glu HG2 . 16776 1
559 . 1 . 1 49 49 GLU HG3 H 1 2.202 0 . 2 . . . . . 142 Glu HG3 . 16776 1
560 . 1 . 1 49 49 GLU CA C 13 57.869 0.032 . 1 . . . . . 142 Glu CA . 16776 1
561 . 1 . 1 49 49 GLU CB C 13 29.109 0.104 . 1 . . . . . 142 Glu CB . 16776 1
562 . 1 . 1 49 49 GLU CG C 13 35.148 0.086 . 1 . . . . . 142 Glu CG . 16776 1
563 . 1 . 1 49 49 GLU N N 15 120.193 0.021 . 1 . . . . . 142 Glu N . 16776 1
564 . 1 . 1 50 50 LEU H H 1 7.886 0.004 . 1 . . . . . 143 Leu H . 16776 1
565 . 1 . 1 50 50 LEU HA H 1 4.365 0 . 1 . . . . . 143 Leu HA . 16776 1
566 . 1 . 1 50 50 LEU HB2 H 1 2.154 0 . 2 . . . . . 143 Leu HB2 . 16776 1
567 . 1 . 1 50 50 LEU HB3 H 1 1.578 0.002 . 2 . . . . . 143 Leu HB3 . 16776 1
568 . 1 . 1 50 50 LEU HD11 H 1 1.011 0 . . . . . . . 143 Leu QD1 . 16776 1
569 . 1 . 1 50 50 LEU HD12 H 1 1.011 0 . . . . . . . 143 Leu QD1 . 16776 1
570 . 1 . 1 50 50 LEU HD13 H 1 1.011 0 . . . . . . . 143 Leu QD1 . 16776 1
571 . 1 . 1 50 50 LEU HD21 H 1 0.958 0.01 . . . . . . . 143 Leu QD2 . 16776 1
572 . 1 . 1 50 50 LEU HD22 H 1 0.958 0.01 . . . . . . . 143 Leu QD2 . 16776 1
573 . 1 . 1 50 50 LEU HD23 H 1 0.958 0.01 . . . . . . . 143 Leu QD2 . 16776 1
574 . 1 . 1 50 50 LEU HG H 1 2.011 0 . 1 . . . . . 143 Leu HG . 16776 1
575 . 1 . 1 50 50 LEU CA C 13 54.25 0.055 . 1 . . . . . 143 Leu CA . 16776 1
576 . 1 . 1 50 50 LEU CB C 13 43.063 0.094 . 1 . . . . . 143 Leu CB . 16776 1
577 . 1 . 1 50 50 LEU CD1 C 13 25.628 0.01 . 2 . . . . . 143 Leu CD1 . 16776 1
578 . 1 . 1 50 50 LEU CD2 C 13 21.343 0.04 . 2 . . . . . 143 Leu CD2 . 16776 1
579 . 1 . 1 50 50 LEU CG C 13 25.625 0 . 1 . . . . . 143 Leu CG . 16776 1
580 . 1 . 1 50 50 LEU N N 15 118.11 0.017 . 1 . . . . . 143 Leu N . 16776 1
581 . 1 . 1 51 51 MET H H 1 8.397 0.002 . 1 . . . . . 144 Met H . 16776 1
582 . 1 . 1 51 51 MET HA H 1 4.054 0 . 1 . . . . . 144 Met HA . 16776 1
583 . 1 . 1 51 51 MET HB2 H 1 2.665 0 . 2 . . . . . 144 Met HB2 . 16776 1
584 . 1 . 1 51 51 MET HB3 H 1 2.2 0 . 2 . . . . . 144 Met HB3 . 16776 1
585 . 1 . 1 51 51 MET HE1 H 1 2.16 0.001 . . . . . . . 144 Met QE . 16776 1
586 . 1 . 1 51 51 MET HE2 H 1 2.16 0.001 . . . . . . . 144 Met QE . 16776 1
587 . 1 . 1 51 51 MET HE3 H 1 2.16 0.001 . . . . . . . 144 Met QE . 16776 1
588 . 1 . 1 51 51 MET HG2 H 1 2.844 0 . 2 . . . . . 144 Met HG2 . 16776 1
589 . 1 . 1 51 51 MET HG3 H 1 2.799 0 . 2 . . . . . 144 Met HG3 . 16776 1
590 . 1 . 1 51 51 MET CA C 13 59.626 0.078 . 1 . . . . . 144 Met CA . 16776 1
591 . 1 . 1 51 51 MET CB C 13 29.955 0.062 . 1 . . . . . 144 Met CB . 16776 1
592 . 1 . 1 51 51 MET CE C 13 15.678 0.031 . 1 . . . . . 144 Met CE . 16776 1
593 . 1 . 1 51 51 MET CG C 13 31.585 0.003 . 1 . . . . . 144 Met CG . 16776 1
594 . 1 . 1 51 51 MET N N 15 122.85 0.019 . 1 . . . . . 144 Met N . 16776 1
595 . 1 . 1 52 52 PRO HA H 1 4.116 0.004 . 1 . . . . . 145 Pro HA . 16776 1
596 . 1 . 1 52 52 PRO HB2 H 1 2.302 0 . 2 . . . . . 145 Pro HB2 . 16776 1
597 . 1 . 1 52 52 PRO HB3 H 1 1.689 0.001 . 2 . . . . . 145 Pro HB3 . 16776 1
598 . 1 . 1 52 52 PRO HD2 H 1 3.716 0.001 . 2 . . . . . 145 Pro HD2 . 16776 1
599 . 1 . 1 52 52 PRO HD3 H 1 3.501 0.004 . 2 . . . . . 145 Pro HD3 . 16776 1
600 . 1 . 1 52 52 PRO HG2 H 1 2.043 0.01 . 2 . . . . . 145 Pro HG2 . 16776 1
601 . 1 . 1 52 52 PRO HG3 H 1 1.877 0.011 . 2 . . . . . 145 Pro HG3 . 16776 1
602 . 1 . 1 52 52 PRO CA C 13 64.731 0.074 . 1 . . . . . 145 Pro CA . 16776 1
603 . 1 . 1 52 52 PRO CB C 13 30.021 0.069 . 1 . . . . . 145 Pro CB . 16776 1
604 . 1 . 1 52 52 PRO CD C 13 49.714 0.054 . 1 . . . . . 145 Pro CD . 16776 1
605 . 1 . 1 52 52 PRO CG C 13 27.299 0.052 . 1 . . . . . 145 Pro CG . 16776 1
606 . 1 . 1 53 53 LYS H H 1 7.317 0.005 . 1 . . . . . 146 Lys H . 16776 1
607 . 1 . 1 53 53 LYS HA H 1 3.888 0 . 1 . . . . . 146 Lys HA . 16776 1
608 . 1 . 1 53 53 LYS HB2 H 1 1.462 0.024 . 2 . . . . . 146 Lys HB2 . 16776 1
609 . 1 . 1 53 53 LYS HB3 H 1 1.359 0.023 . 2 . . . . . 146 Lys HB3 . 16776 1
610 . 1 . 1 53 53 LYS HD2 H 1 1.42 0 . 2 . . . . . 146 Lys HD2 . 16776 1
611 . 1 . 1 53 53 LYS HD3 H 1 1.291 0 . 2 . . . . . 146 Lys HD3 . 16776 1
612 . 1 . 1 53 53 LYS HE2 H 1 2.72 0.002 . 2 . . . . . 146 Lys QE . 16776 1
613 . 1 . 1 53 53 LYS HE3 H 1 2.72 0.002 . 2 . . . . . 146 Lys QE . 16776 1
614 . 1 . 1 53 53 LYS HG2 H 1 0.974 0 . 2 . . . . . 146 Lys HG2 . 16776 1
615 . 1 . 1 53 53 LYS HG3 H 1 0.36 0.001 . 2 . . . . . 146 Lys HG3 . 16776 1
616 . 1 . 1 53 53 LYS CA C 13 56.693 0.044 . 1 . . . . . 146 Lys CA . 16776 1
617 . 1 . 1 53 53 LYS CB C 13 31.674 0.089 . 1 . . . . . 146 Lys CB . 16776 1
618 . 1 . 1 53 53 LYS CD C 13 28.587 0.041 . 1 . . . . . 146 Lys CD . 16776 1
619 . 1 . 1 53 53 LYS CE C 13 40.993 0.071 . 1 . . . . . 146 Lys CE . 16776 1
620 . 1 . 1 53 53 LYS CG C 13 23.576 0.046 . 1 . . . . . 146 Lys CG . 16776 1
621 . 1 . 1 53 53 LYS N N 15 115.39 0.013 . 1 . . . . . 146 Lys N . 16776 1
622 . 1 . 1 54 54 TYR H H 1 6.91 0.002 . 1 . . . . . 147 Tyr H . 16776 1
623 . 1 . 1 54 54 TYR HA H 1 4.148 0.001 . 1 . . . . . 147 Tyr HA . 16776 1
624 . 1 . 1 54 54 TYR HB2 H 1 2.185 0 . 2 . . . . . 147 Tyr HB2 . 16776 1
625 . 1 . 1 54 54 TYR HB3 H 1 0.953 0.003 . 2 . . . . . 147 Tyr HB3 . 16776 1
626 . 1 . 1 54 54 TYR HD1 H 1 6.458 0.006 . 3 . . . . . 147 Tyr QD . 16776 1
627 . 1 . 1 54 54 TYR HD2 H 1 6.458 0.006 . 3 . . . . . 147 Tyr QD . 16776 1
628 . 1 . 1 54 54 TYR HE1 H 1 6.624 0.004 . 3 . . . . . 147 Tyr QE . 16776 1
629 . 1 . 1 54 54 TYR HE2 H 1 6.624 0.004 . 3 . . . . . 147 Tyr QE . 16776 1
630 . 1 . 1 54 54 TYR CA C 13 58.21 0.12 . 1 . . . . . 147 Tyr CA . 16776 1
631 . 1 . 1 54 54 TYR CB C 13 37.924 0.069 . 1 . . . . . 147 Tyr CB . 16776 1
632 . 1 . 1 54 54 TYR CD1 C 13 131.472 0 . 3 . . . . . 147 Tyr CD1 . 16776 1
633 . 1 . 1 54 54 TYR CD2 C 13 131.472 0 . 3 . . . . . 147 Tyr CD2 . 16776 1
634 . 1 . 1 54 54 TYR CE1 C 13 116.451 0 . 3 . . . . . 147 Tyr CE1 . 16776 1
635 . 1 . 1 54 54 TYR CE2 C 13 116.451 0 . 3 . . . . . 147 Tyr CE2 . 16776 1
636 . 1 . 1 54 54 TYR N N 15 115.874 0.02 . 1 . . . . . 147 Tyr N . 16776 1
637 . 1 . 1 55 55 ALA H H 1 8.461 0.004 . 1 . . . . . 148 Ala H . 16776 1
638 . 1 . 1 55 55 ALA HA H 1 4.707 0 . 1 . . . . . 148 Ala HA . 16776 1
639 . 1 . 1 55 55 ALA HB1 H 1 1.443 0 . . . . . . . 148 Ala QB . 16776 1
640 . 1 . 1 55 55 ALA HB2 H 1 1.443 0 . . . . . . . 148 Ala QB . 16776 1
641 . 1 . 1 55 55 ALA HB3 H 1 1.443 0 . . . . . . . 148 Ala QB . 16776 1
642 . 1 . 1 55 55 ALA CA C 13 49.721 0.014 . 1 . . . . . 148 Ala CA . 16776 1
643 . 1 . 1 55 55 ALA CB C 13 17.793 0.055 . 1 . . . . . 148 Ala CB . 16776 1
644 . 1 . 1 55 55 ALA N N 15 125.089 0.011 . 1 . . . . . 148 Ala N . 16776 1
645 . 1 . 1 56 56 PRO HA H 1 4.27 0.006 . 1 . . . . . 149 Pro HA . 16776 1
646 . 1 . 1 56 56 PRO HB2 H 1 2.368 0.001 . 2 . . . . . 149 Pro HB2 . 16776 1
647 . 1 . 1 56 56 PRO HB3 H 1 1.912 0.008 . 2 . . . . . 149 Pro HB3 . 16776 1
648 . 1 . 1 56 56 PRO HD2 H 1 3.572 0.002 . 2 . . . . . 149 Pro HD2 . 16776 1
649 . 1 . 1 56 56 PRO HD3 H 1 3.378 0.006 . 2 . . . . . 149 Pro HD3 . 16776 1
650 . 1 . 1 56 56 PRO HG2 H 1 1.969 0 . 2 . . . . . 149 Pro QG . 16776 1
651 . 1 . 1 56 56 PRO HG3 H 1 1.969 0 . 2 . . . . . 149 Pro QG . 16776 1
652 . 1 . 1 56 56 PRO CA C 13 63.24 0.112 . 1 . . . . . 149 Pro CA . 16776 1
653 . 1 . 1 56 56 PRO CB C 13 30.751 0.058 . 1 . . . . . 149 Pro CB . 16776 1
654 . 1 . 1 56 56 PRO CD C 13 49.27 0.039 . 1 . . . . . 149 Pro CD . 16776 1
655 . 1 . 1 56 56 PRO CG C 13 26.361 0.012 . 1 . . . . . 149 Pro CG . 16776 1
656 . 1 . 1 57 57 LYS H H 1 8.376 0.003 . 1 . . . . . 150 Lys H . 16776 1
657 . 1 . 1 57 57 LYS HA H 1 4.212 0.001 . 1 . . . . . 150 Lys HA . 16776 1
658 . 1 . 1 57 57 LYS HB2 H 1 1.797 0.009 . 2 . . . . . 150 Lys QB . 16776 1
659 . 1 . 1 57 57 LYS HB3 H 1 1.797 0.009 . 2 . . . . . 150 Lys QB . 16776 1
660 . 1 . 1 57 57 LYS HD2 H 1 1.669 0.008 . 2 . . . . . 150 Lys QD . 16776 1
661 . 1 . 1 57 57 LYS HD3 H 1 1.669 0.008 . 2 . . . . . 150 Lys QD . 16776 1
662 . 1 . 1 57 57 LYS HE2 H 1 2.992 0 . 2 . . . . . 150 Lys QE . 16776 1
663 . 1 . 1 57 57 LYS HE3 H 1 2.992 0 . 2 . . . . . 150 Lys QE . 16776 1
664 . 1 . 1 57 57 LYS HG2 H 1 1.478 0.013 . 2 . . . . . 150 Lys QG . 16776 1
665 . 1 . 1 57 57 LYS HG3 H 1 1.478 0.013 . 2 . . . . . 150 Lys QG . 16776 1
666 . 1 . 1 57 57 LYS CA C 13 56.266 0.126 . 1 . . . . . 150 Lys CA . 16776 1
667 . 1 . 1 57 57 LYS CB C 13 31.425 0.02 . 1 . . . . . 150 Lys CB . 16776 1
668 . 1 . 1 57 57 LYS CD C 13 28.049 0.02 . 1 . . . . . 150 Lys CD . 16776 1
669 . 1 . 1 57 57 LYS CE C 13 41.129 0 . 1 . . . . . 150 Lys CE . 16776 1
670 . 1 . 1 57 57 LYS CG C 13 23.917 0.021 . 1 . . . . . 150 Lys CG . 16776 1
671 . 1 . 1 57 57 LYS N N 15 120.408 0.015 . 1 . . . . . 150 Lys N . 16776 1
672 . 1 . 1 58 58 ALA H H 1 7.959 0.002 . 1 . . . . . 151 Ala H . 16776 1
673 . 1 . 1 58 58 ALA HA H 1 4.239 0.001 . 1 . . . . . 151 Ala HA . 16776 1
674 . 1 . 1 58 58 ALA HB1 H 1 1.419 0.002 . . . . . . . 151 Ala QB . 16776 1
675 . 1 . 1 58 58 ALA HB2 H 1 1.419 0.002 . . . . . . . 151 Ala QB . 16776 1
676 . 1 . 1 58 58 ALA HB3 H 1 1.419 0.002 . . . . . . . 151 Ala QB . 16776 1
677 . 1 . 1 58 58 ALA CA C 13 52.188 0.066 . 1 . . . . . 151 Ala CA . 16776 1
678 . 1 . 1 58 58 ALA CB C 13 18.091 0.069 . 1 . . . . . 151 Ala CB . 16776 1
679 . 1 . 1 58 58 ALA N N 15 125 0.027 . 1 . . . . . 151 Ala N . 16776 1
680 . 1 . 1 59 59 ALA H H 1 8.244 0.003 . 1 . . . . . 152 Ala H . 16776 1
681 . 1 . 1 59 59 ALA HA H 1 4.213 0 . 1 . . . . . 152 Ala HA . 16776 1
682 . 1 . 1 59 59 ALA HB1 H 1 1.345 0.002 . . . . . . . 152 Ala QB . 16776 1
683 . 1 . 1 59 59 ALA HB2 H 1 1.345 0.002 . . . . . . . 152 Ala QB . 16776 1
684 . 1 . 1 59 59 ALA HB3 H 1 1.345 0.002 . . . . . . . 152 Ala QB . 16776 1
685 . 1 . 1 59 59 ALA CA C 13 52.486 0.071 . 1 . . . . . 152 Ala CA . 16776 1
686 . 1 . 1 59 59 ALA CB C 13 17.746 0.116 . 1 . . . . . 152 Ala CB . 16776 1
687 . 1 . 1 59 59 ALA N N 15 122.14 0.009 . 1 . . . . . 152 Ala N . 16776 1
688 . 1 . 1 60 60 SER H H 1 8.06 0.002 . 1 . . . . . 153 Ser H . 16776 1
689 . 1 . 1 60 60 SER HA H 1 4.352 0 . 1 . . . . . 153 Ser HA . 16776 1
690 . 1 . 1 60 60 SER HB2 H 1 3.901 0 . 2 . . . . . 153 Ser QB . 16776 1
691 . 1 . 1 60 60 SER HB3 H 1 3.901 0 . 2 . . . . . 153 Ser QB . 16776 1
692 . 1 . 1 60 60 SER CA C 13 58.15 0.106 . 1 . . . . . 153 Ser CA . 16776 1
693 . 1 . 1 60 60 SER CB C 13 62.611 0.097 . 1 . . . . . 153 Ser CB . 16776 1
694 . 1 . 1 60 60 SER N N 15 113.949 0.009 . 1 . . . . . 153 Ser N . 16776 1
695 . 1 . 1 61 61 ALA H H 1 7.943 0.002 . 1 . . . . . 154 Ala H . 16776 1
696 . 1 . 1 61 61 ALA HA H 1 4.38 0.003 . 1 . . . . . 154 Ala HA . 16776 1
697 . 1 . 1 61 61 ALA HB1 H 1 1.447 0.002 . . . . . . . 154 Ala QB . 16776 1
698 . 1 . 1 61 61 ALA HB2 H 1 1.447 0.002 . . . . . . . 154 Ala QB . 16776 1
699 . 1 . 1 61 61 ALA HB3 H 1 1.447 0.002 . . . . . . . 154 Ala QB . 16776 1
700 . 1 . 1 61 61 ALA CA C 13 51.475 0.104 . 1 . . . . . 154 Ala CA . 16776 1
701 . 1 . 1 61 61 ALA CB C 13 18.393 0.054 . 1 . . . . . 154 Ala CB . 16776 1
702 . 1 . 1 61 61 ALA N N 15 125.405 0.011 . 1 . . . . . 154 Ala N . 16776 1
703 . 1 . 1 62 62 ARG H H 1 7.99 0.004 . 1 . . . . . 155 Arg H . 16776 1
704 . 1 . 1 62 62 ARG HA H 1 4.415 0.002 . 1 . . . . . 155 Arg HA . 16776 1
705 . 1 . 1 62 62 ARG HB2 H 1 2 0.002 . 2 . . . . . 155 Arg HB2 . 16776 1
706 . 1 . 1 62 62 ARG HB3 H 1 1.821 0.005 . 2 . . . . . 155 Arg HB3 . 16776 1
707 . 1 . 1 62 62 ARG HD2 H 1 3.32 0 . 2 . . . . . 155 Arg HD2 . 16776 1
708 . 1 . 1 62 62 ARG HD3 H 1 3.145 0.001 . 2 . . . . . 155 Arg HD3 . 16776 1
709 . 1 . 1 62 62 ARG HG2 H 1 1.657 0 . 2 . . . . . 155 Arg QG . 16776 1
710 . 1 . 1 62 62 ARG HG3 H 1 1.657 0 . 2 . . . . . 155 Arg QG . 16776 1
711 . 1 . 1 62 62 ARG CA C 13 55.281 0.012 . 1 . . . . . 155 Arg CA . 16776 1
712 . 1 . 1 62 62 ARG CB C 13 30.282 0.076 . 1 . . . . . 155 Arg CB . 16776 1
713 . 1 . 1 62 62 ARG CD C 13 42.377 0 . 1 . . . . . 155 Arg CD . 16776 1
714 . 1 . 1 62 62 ARG CG C 13 26.096 0 . 1 . . . . . 155 Arg CG . 16776 1
715 . 1 . 1 62 62 ARG N N 15 120.265 0.014 . 1 . . . . . 155 Arg N . 16776 1
716 . 1 . 1 63 63 THR H H 1 8.335 0.003 . 1 . . . . . 156 Thr H . 16776 1
717 . 1 . 1 63 63 THR HA H 1 4.408 0.004 . 1 . . . . . 156 Thr HA . 16776 1
718 . 1 . 1 63 63 THR HB H 1 4.33 0 . 1 . . . . . 156 Thr HB . 16776 1
719 . 1 . 1 63 63 THR HG21 H 1 1.196 0 . . . . . . . 156 Thr QG2 . 16776 1
720 . 1 . 1 63 63 THR HG22 H 1 1.196 0 . . . . . . . 156 Thr QG2 . 16776 1
721 . 1 . 1 63 63 THR HG23 H 1 1.196 0 . . . . . . . 156 Thr QG2 . 16776 1
722 . 1 . 1 63 63 THR CA C 13 60.783 0.112 . 1 . . . . . 156 Thr CA . 16776 1
723 . 1 . 1 63 63 THR CB C 13 68.674 0.15 . 1 . . . . . 156 Thr CB . 16776 1
724 . 1 . 1 63 63 THR CG2 C 13 20.396 0 . 1 . . . . . 156 Thr CG2 . 16776 1
725 . 1 . 1 63 63 THR N N 15 114.109 0.01 . 1 . . . . . 156 Thr N . 16776 1
726 . 1 . 1 64 64 ASP H H 1 8.475 0.001 . 1 . . . . . 157 Asp H . 16776 1
727 . 1 . 1 64 64 ASP HA H 1 4.665 0.002 . 1 . . . . . 157 Asp HA . 16776 1
728 . 1 . 1 64 64 ASP HB2 H 1 2.674 0 . 2 . . . . . 157 Asp QB . 16776 1
729 . 1 . 1 64 64 ASP HB3 H 1 2.674 0 . 2 . . . . . 157 Asp QB . 16776 1
730 . 1 . 1 64 64 ASP CA C 13 53.014 0.066 . 1 . . . . . 157 Asp CA . 16776 1
731 . 1 . 1 64 64 ASP CB C 13 39.733 0.053 . 1 . . . . . 157 Asp CB . 16776 1
732 . 1 . 1 64 64 ASP N N 15 122.959 0.009 . 1 . . . . . 157 Asp N . 16776 1
733 . 1 . 1 65 65 LEU H H 1 7.653 0.003 . 1 . . . . . 158 Leu H . 16776 1
734 . 1 . 1 65 65 LEU HA H 1 4.161 0 . 1 . . . . . 158 Leu HA . 16776 1
735 . 1 . 1 65 65 LEU HB2 H 1 1.567 0 . 2 . . . . . 158 Leu QB . 16776 1
736 . 1 . 1 65 65 LEU HB3 H 1 1.567 0 . 2 . . . . . 158 Leu QB . 16776 1
737 . 1 . 1 65 65 LEU HD11 H 1 0.903 0 . . . . . . . 158 Leu QD1 . 16776 1
738 . 1 . 1 65 65 LEU HD12 H 1 0.903 0 . . . . . . . 158 Leu QD1 . 16776 1
739 . 1 . 1 65 65 LEU HD13 H 1 0.903 0 . . . . . . . 158 Leu QD1 . 16776 1
740 . 1 . 1 65 65 LEU HD21 H 1 0.84 0 . . . . . . . 158 Leu QD2 . 16776 1
741 . 1 . 1 65 65 LEU HD22 H 1 0.84 0 . . . . . . . 158 Leu QD2 . 16776 1
742 . 1 . 1 65 65 LEU HD23 H 1 0.84 0 . . . . . . . 158 Leu QD2 . 16776 1
743 . 1 . 1 65 65 LEU HG H 1 1.563 0 . 1 . . . . . 158 Leu HG . 16776 1
744 . 1 . 1 65 65 LEU CA C 13 55.638 0.016 . 1 . . . . . 158 Leu CA . 16776 1
745 . 1 . 1 65 65 LEU CB C 13 42.293 0.002 . 1 . . . . . 158 Leu CB . 16776 1
746 . 1 . 1 65 65 LEU CD1 C 13 24.315 0 . 2 . . . . . 158 Leu CD1 . 16776 1
747 . 1 . 1 65 65 LEU CD2 C 13 22.463 0 . 2 . . . . . 158 Leu CD2 . 16776 1
748 . 1 . 1 65 65 LEU CG C 13 26.138 0 . 1 . . . . . 158 Leu CG . 16776 1
749 . 1 . 1 65 65 LEU N N 15 127.677 0.008 . 1 . . . . . 158 Leu N . 16776 1
stop_
save_