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 15825
_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 0.03
_Assigned_chem_shift_list.Chem_shift_13C_err 0.3
_Assigned_chem_shift_list.Chem_shift_15N_err 0.3
_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' . . . 15825 1
2 '2D 1H-13C HSQC (aliph)' . . . 15825 1
8 '3D 1H-13C-15N SIM NOESY' . . . 15825 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
5 $SPARKY . . 15825 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 2 2 ALA HA H 1 4.111 0.03 . 1 . . . . 2 Ala HA . 15825 1
2 . 1 1 2 2 ALA HB1 H 1 1.558 0.03 . 1 . . . . 2 Ala HB . 15825 1
3 . 1 1 2 2 ALA HB2 H 1 1.558 0.03 . 1 . . . . 2 Ala HB . 15825 1
4 . 1 1 2 2 ALA HB3 H 1 1.558 0.03 . 1 . . . . 2 Ala HB . 15825 1
5 . 1 1 2 2 ALA C C 13 173.776 0.3 . 1 . . . . 2 Ala C . 15825 1
6 . 1 1 2 2 ALA CA C 13 52.108 0.3 . 1 . . . . 2 Ala CA . 15825 1
7 . 1 1 2 2 ALA CB C 13 19.522 0.3 . 1 . . . . 2 Ala CB . 15825 1
8 . 1 1 3 3 SER H H 1 8.883 0.03 . 1 . . . . 3 Ser H . 15825 1
9 . 1 1 3 3 SER HA H 1 4.977 0.03 . 1 . . . . 3 Ser HA . 15825 1
10 . 1 1 3 3 SER HB2 H 1 3.938 0.03 . 2 . . . . 3 Ser HB2 . 15825 1
11 . 1 1 3 3 SER HB3 H 1 3.802 0.03 . 2 . . . . 3 Ser HB3 . 15825 1
12 . 1 1 3 3 SER C C 13 170.843 0.3 . 1 . . . . 3 Ser C . 15825 1
13 . 1 1 3 3 SER CA C 13 55.075 0.3 . 1 . . . . 3 Ser CA . 15825 1
14 . 1 1 3 3 SER CB C 13 63.708 0.3 . 1 . . . . 3 Ser CB . 15825 1
15 . 1 1 3 3 SER N N 15 117.319 0.3 . 1 . . . . 3 Ser N . 15825 1
16 . 1 1 4 4 PRO HA H 1 4.300 0.03 . 1 . . . . 4 Pro HA . 15825 1
17 . 1 1 4 4 PRO HB2 H 1 2.355 0.03 . 2 . . . . 4 Pro HB2 . 15825 1
18 . 1 1 4 4 PRO HB3 H 1 1.923 0.03 . 2 . . . . 4 Pro HB3 . 15825 1
19 . 1 1 4 4 PRO HD2 H 1 3.825 0.03 . 2 . . . . 4 Pro HD2 . 15825 1
20 . 1 1 4 4 PRO HD3 H 1 3.683 0.03 . 2 . . . . 4 Pro HD3 . 15825 1
21 . 1 1 4 4 PRO HG2 H 1 2.079 0.03 . 2 . . . . 4 Pro HG2 . 15825 1
22 . 1 1 4 4 PRO HG3 H 1 2.024 0.03 . 2 . . . . 4 Pro HG3 . 15825 1
23 . 1 1 4 4 PRO C C 13 176.787 0.3 . 1 . . . . 4 Pro C . 15825 1
24 . 1 1 4 4 PRO CA C 13 63.678 0.3 . 1 . . . . 4 Pro CA . 15825 1
25 . 1 1 4 4 PRO CB C 13 32.119 0.3 . 1 . . . . 4 Pro CB . 15825 1
26 . 1 1 4 4 PRO CD C 13 50.940 0.3 . 1 . . . . 4 Pro CD . 15825 1
27 . 1 1 4 4 PRO CG C 13 27.606 0.3 . 1 . . . . 4 Pro CG . 15825 1
28 . 1 1 5 5 THR H H 1 8.235 0.03 . 1 . . . . 5 Thr H . 15825 1
29 . 1 1 5 5 THR HA H 1 4.781 0.03 . 1 . . . . 5 Thr HA . 15825 1
30 . 1 1 5 5 THR HB H 1 3.545 0.03 . 1 . . . . 5 Thr HB . 15825 1
31 . 1 1 5 5 THR HG21 H 1 0.909 0.03 . 1 . . . . 5 Thr HG2 . 15825 1
32 . 1 1 5 5 THR HG22 H 1 0.909 0.03 . 1 . . . . 5 Thr HG2 . 15825 1
33 . 1 1 5 5 THR HG23 H 1 0.909 0.03 . 1 . . . . 5 Thr HG2 . 15825 1
34 . 1 1 5 5 THR C C 13 171.502 0.3 . 1 . . . . 5 Thr C . 15825 1
35 . 1 1 5 5 THR CA C 13 62.285 0.3 . 1 . . . . 5 Thr CA . 15825 1
36 . 1 1 5 5 THR CB C 13 73.666 0.3 . 1 . . . . 5 Thr CB . 15825 1
37 . 1 1 5 5 THR CG2 C 13 21.828 0.3 . 1 . . . . 5 Thr CG2 . 15825 1
38 . 1 1 5 5 THR N N 15 118.985 0.3 . 1 . . . . 5 Thr N . 15825 1
39 . 1 1 6 6 VAL H H 1 9.186 0.03 . 1 . . . . 6 Val H . 15825 1
40 . 1 1 6 6 VAL HA H 1 4.541 0.03 . 1 . . . . 6 Val HA . 15825 1
41 . 1 1 6 6 VAL HB H 1 1.719 0.03 . 1 . . . . 6 Val HB . 15825 1
42 . 1 1 6 6 VAL HG11 H 1 0.727 0.03 . 1 . . . . 6 Val HG1 . 15825 1
43 . 1 1 6 6 VAL HG12 H 1 0.727 0.03 . 1 . . . . 6 Val HG1 . 15825 1
44 . 1 1 6 6 VAL HG13 H 1 0.727 0.03 . 1 . . . . 6 Val HG1 . 15825 1
45 . 1 1 6 6 VAL HG21 H 1 0.640 0.03 . 1 . . . . 6 Val HG2 . 15825 1
46 . 1 1 6 6 VAL HG22 H 1 0.640 0.03 . 1 . . . . 6 Val HG2 . 15825 1
47 . 1 1 6 6 VAL HG23 H 1 0.640 0.03 . 1 . . . . 6 Val HG2 . 15825 1
48 . 1 1 6 6 VAL C C 13 174.996 0.3 . 1 . . . . 6 Val C . 15825 1
49 . 1 1 6 6 VAL CA C 13 61.194 0.3 . 1 . . . . 6 Val CA . 15825 1
50 . 1 1 6 6 VAL CB C 13 33.925 0.3 . 1 . . . . 6 Val CB . 15825 1
51 . 1 1 6 6 VAL CG1 C 13 21.616 0.3 . 1 . . . . 6 Val CG1 . 15825 1
52 . 1 1 6 6 VAL CG2 C 13 20.680 0.3 . 1 . . . . 6 Val CG2 . 15825 1
53 . 1 1 6 6 VAL N N 15 124.483 0.3 . 1 . . . . 6 Val N . 15825 1
54 . 1 1 7 7 ILE H H 1 9.302 0.03 . 1 . . . . 7 Ile H . 15825 1
55 . 1 1 7 7 ILE HA H 1 4.384 0.03 . 1 . . . . 7 Ile HA . 15825 1
56 . 1 1 7 7 ILE HB H 1 1.519 0.03 . 1 . . . . 7 Ile HB . 15825 1
57 . 1 1 7 7 ILE HD11 H 1 -0.228 0.03 . 1 . . . . 7 Ile HD1 . 15825 1
58 . 1 1 7 7 ILE HD12 H 1 -0.228 0.03 . 1 . . . . 7 Ile HD1 . 15825 1
59 . 1 1 7 7 ILE HD13 H 1 -0.228 0.03 . 1 . . . . 7 Ile HD1 . 15825 1
60 . 1 1 7 7 ILE HG12 H 1 0.980 0.03 . 2 . . . . 7 Ile HG12 . 15825 1
61 . 1 1 7 7 ILE HG13 H 1 0.434 0.03 . 2 . . . . 7 Ile HG13 . 15825 1
62 . 1 1 7 7 ILE HG21 H 1 0.515 0.03 . 1 . . . . 7 Ile HG2 . 15825 1
63 . 1 1 7 7 ILE HG22 H 1 0.515 0.03 . 1 . . . . 7 Ile HG2 . 15825 1
64 . 1 1 7 7 ILE HG23 H 1 0.515 0.03 . 1 . . . . 7 Ile HG2 . 15825 1
65 . 1 1 7 7 ILE C C 13 174.639 0.3 . 1 . . . . 7 Ile C . 15825 1
66 . 1 1 7 7 ILE CA C 13 60.614 0.3 . 1 . . . . 7 Ile CA . 15825 1
67 . 1 1 7 7 ILE CB C 13 39.512 0.3 . 1 . . . . 7 Ile CB . 15825 1
68 . 1 1 7 7 ILE CD1 C 13 13.933 0.3 . 1 . . . . 7 Ile CD1 . 15825 1
69 . 1 1 7 7 ILE CG1 C 13 28.622 0.3 . 1 . . . . 7 Ile CG1 . 15825 1
70 . 1 1 7 7 ILE CG2 C 13 18.850 0.3 . 1 . . . . 7 Ile CG2 . 15825 1
71 . 1 1 7 7 ILE N N 15 132.744 0.3 . 1 . . . . 7 Ile N . 15825 1
72 . 1 1 8 8 THR H H 1 8.986 0.03 . 1 . . . . 8 Thr H . 15825 1
73 . 1 1 8 8 THR HA H 1 4.998 0.03 . 1 . . . . 8 Thr HA . 15825 1
74 . 1 1 8 8 THR HB H 1 3.982 0.03 . 1 . . . . 8 Thr HB . 15825 1
75 . 1 1 8 8 THR HG21 H 1 1.249 0.03 . 1 . . . . 8 Thr HG2 . 15825 1
76 . 1 1 8 8 THR HG22 H 1 1.249 0.03 . 1 . . . . 8 Thr HG2 . 15825 1
77 . 1 1 8 8 THR HG23 H 1 1.249 0.03 . 1 . . . . 8 Thr HG2 . 15825 1
78 . 1 1 8 8 THR C C 13 174.741 0.3 . 1 . . . . 8 Thr C . 15825 1
79 . 1 1 8 8 THR CA C 13 61.881 0.3 . 1 . . . . 8 Thr CA . 15825 1
80 . 1 1 8 8 THR CB C 13 69.006 0.3 . 1 . . . . 8 Thr CB . 15825 1
81 . 1 1 8 8 THR CG2 C 13 20.831 0.3 . 1 . . . . 8 Thr CG2 . 15825 1
82 . 1 1 8 8 THR N N 15 124.033 0.3 . 1 . . . . 8 Thr N . 15825 1
83 . 1 1 9 9 LEU H H 1 9.386 0.03 . 1 . . . . 9 Leu H . 15825 1
84 . 1 1 9 9 LEU HA H 1 4.928 0.03 . 1 . . . . 9 Leu HA . 15825 1
85 . 1 1 9 9 LEU HB2 H 1 2.239 0.03 . 2 . . . . 9 Leu HB2 . 15825 1
86 . 1 1 9 9 LEU HB3 H 1 1.883 0.03 . 2 . . . . 9 Leu HB3 . 15825 1
87 . 1 1 9 9 LEU HD11 H 1 0.950 0.03 . 1 . . . . 9 Leu HD1 . 15825 1
88 . 1 1 9 9 LEU HD12 H 1 0.950 0.03 . 1 . . . . 9 Leu HD1 . 15825 1
89 . 1 1 9 9 LEU HD13 H 1 0.950 0.03 . 1 . . . . 9 Leu HD1 . 15825 1
90 . 1 1 9 9 LEU HD21 H 1 0.730 0.03 . 1 . . . . 9 Leu HD2 . 15825 1
91 . 1 1 9 9 LEU HD22 H 1 0.730 0.03 . 1 . . . . 9 Leu HD2 . 15825 1
92 . 1 1 9 9 LEU HD23 H 1 0.730 0.03 . 1 . . . . 9 Leu HD2 . 15825 1
93 . 1 1 9 9 LEU HG H 1 1.659 0.03 . 1 . . . . 9 Leu HG . 15825 1
94 . 1 1 9 9 LEU C C 13 179.269 0.3 . 1 . . . . 9 Leu C . 15825 1
95 . 1 1 9 9 LEU CA C 13 54.369 0.3 . 1 . . . . 9 Leu CA . 15825 1
96 . 1 1 9 9 LEU CB C 13 41.835 0.3 . 1 . . . . 9 Leu CB . 15825 1
97 . 1 1 9 9 LEU CD1 C 13 25.058 0.3 . 1 . . . . 9 Leu CD1 . 15825 1
98 . 1 1 9 9 LEU CD2 C 13 23.537 0.3 . 1 . . . . 9 Leu CD2 . 15825 1
99 . 1 1 9 9 LEU CG C 13 27.672 0.3 . 1 . . . . 9 Leu CG . 15825 1
100 . 1 1 9 9 LEU N N 15 127.176 0.3 . 1 . . . . 9 Leu N . 15825 1
101 . 1 1 10 10 ASN H H 1 8.496 0.03 . 1 . . . . 10 Asn H . 15825 1
102 . 1 1 10 10 ASN HA H 1 4.387 0.03 . 1 . . . . 10 Asn HA . 15825 1
103 . 1 1 10 10 ASN HB2 H 1 2.778 0.03 . 2 . . . . 10 Asn HB2 . 15825 1
104 . 1 1 10 10 ASN HB3 H 1 2.778 0.03 . 2 . . . . 10 Asn HB3 . 15825 1
105 . 1 1 10 10 ASN C C 13 176.053 0.3 . 1 . . . . 10 Asn C . 15825 1
106 . 1 1 10 10 ASN CA C 13 56.005 0.3 . 1 . . . . 10 Asn CA . 15825 1
107 . 1 1 10 10 ASN CB C 13 37.777 0.3 . 1 . . . . 10 Asn CB . 15825 1
108 . 1 1 10 10 ASN N N 15 119.252 0.3 . 1 . . . . 10 Asn N . 15825 1
109 . 1 1 11 11 ASP H H 1 7.755 0.03 . 1 . . . . 11 Asp H . 15825 1
110 . 1 1 11 11 ASP HA H 1 4.532 0.03 . 1 . . . . 11 Asp HA . 15825 1
111 . 1 1 11 11 ASP HB2 H 1 3.114 0.03 . 2 . . . . 11 Asp HB2 . 15825 1
112 . 1 1 11 11 ASP HB3 H 1 2.584 0.03 . 2 . . . . 11 Asp HB3 . 15825 1
113 . 1 1 11 11 ASP C C 13 177.308 0.3 . 1 . . . . 11 Asp C . 15825 1
114 . 1 1 11 11 ASP CA C 13 53.443 0.3 . 1 . . . . 11 Asp CA . 15825 1
115 . 1 1 11 11 ASP CB C 13 40.107 0.3 . 1 . . . . 11 Asp CB . 15825 1
116 . 1 1 11 11 ASP N N 15 116.530 0.3 . 1 . . . . 11 Asp N . 15825 1
117 . 1 1 12 12 GLY H H 1 8.141 0.03 . 1 . . . . 12 Gly H . 15825 1
118 . 1 1 12 12 GLY HA2 H 1 4.380 0.03 . 2 . . . . 12 Gly HA2 . 15825 1
119 . 1 1 12 12 GLY HA3 H 1 3.475 0.03 . 2 . . . . 12 Gly HA3 . 15825 1
120 . 1 1 12 12 GLY C C 13 174.776 0.3 . 1 . . . . 12 Gly C . 15825 1
121 . 1 1 12 12 GLY CA C 13 44.832 0.3 . 1 . . . . 12 Gly CA . 15825 1
122 . 1 1 12 12 GLY N N 15 108.655 0.3 . 1 . . . . 12 Gly N . 15825 1
123 . 1 1 13 13 ARG H H 1 8.091 0.03 . 1 . . . . 13 Arg H . 15825 1
124 . 1 1 13 13 ARG HA H 1 4.153 0.03 . 1 . . . . 13 Arg HA . 15825 1
125 . 1 1 13 13 ARG HB2 H 1 2.033 0.03 . 2 . . . . 13 Arg HB2 . 15825 1
126 . 1 1 13 13 ARG HB3 H 1 1.699 0.03 . 2 . . . . 13 Arg HB3 . 15825 1
127 . 1 1 13 13 ARG HD2 H 1 3.284 0.03 . 2 . . . . 13 Arg HD2 . 15825 1
128 . 1 1 13 13 ARG HD3 H 1 3.200 0.03 . 2 . . . . 13 Arg HD3 . 15825 1
129 . 1 1 13 13 ARG HE H 1 8.117 0.03 . 1 . . . . 13 Arg HE . 15825 1
130 . 1 1 13 13 ARG HG2 H 1 1.698 0.03 . 2 . . . . 13 Arg HG2 . 15825 1
131 . 1 1 13 13 ARG HG3 H 1 1.628 0.03 . 2 . . . . 13 Arg HG3 . 15825 1
132 . 1 1 13 13 ARG C C 13 174.920 0.3 . 1 . . . . 13 Arg C . 15825 1
133 . 1 1 13 13 ARG CA C 13 57.830 0.3 . 1 . . . . 13 Arg CA . 15825 1
134 . 1 1 13 13 ARG CB C 13 31.559 0.3 . 1 . . . . 13 Arg CB . 15825 1
135 . 1 1 13 13 ARG CD C 13 43.919 0.3 . 1 . . . . 13 Arg CD . 15825 1
136 . 1 1 13 13 ARG CG C 13 28.061 0.3 . 1 . . . . 13 Arg CG . 15825 1
137 . 1 1 13 13 ARG N N 15 121.874 0.3 . 1 . . . . 13 Arg N . 15825 1
138 . 1 1 13 13 ARG NE N 15 85.893 0.3 . 1 . . . . 13 Arg NE . 15825 1
139 . 1 1 14 14 GLU H H 1 8.326 0.03 . 1 . . . . 14 Glu H . 15825 1
140 . 1 1 14 14 GLU HA H 1 5.127 0.03 . 1 . . . . 14 Glu HA . 15825 1
141 . 1 1 14 14 GLU HB2 H 1 1.860 0.03 . 2 . . . . 14 Glu HB2 . 15825 1
142 . 1 1 14 14 GLU HB3 H 1 1.627 0.03 . 2 . . . . 14 Glu HB3 . 15825 1
143 . 1 1 14 14 GLU HG2 H 1 2.289 0.03 . 2 . . . . 14 Glu HG2 . 15825 1
144 . 1 1 14 14 GLU HG3 H 1 2.123 0.03 . 2 . . . . 14 Glu HG3 . 15825 1
145 . 1 1 14 14 GLU C C 13 176.421 0.3 . 1 . . . . 14 Glu C . 15825 1
146 . 1 1 14 14 GLU CA C 13 54.727 0.3 . 1 . . . . 14 Glu CA . 15825 1
147 . 1 1 14 14 GLU CB C 13 32.258 0.3 . 1 . . . . 14 Glu CB . 15825 1
148 . 1 1 14 14 GLU CG C 13 36.452 0.3 . 1 . . . . 14 Glu CG . 15825 1
149 . 1 1 14 14 GLU N N 15 120.103 0.3 . 1 . . . . 14 Glu N . 15825 1
150 . 1 1 15 15 ILE H H 1 9.354 0.03 . 1 . . . . 15 Ile H . 15825 1
151 . 1 1 15 15 ILE HA H 1 4.319 0.03 . 1 . . . . 15 Ile HA . 15825 1
152 . 1 1 15 15 ILE HB H 1 1.611 0.03 . 1 . . . . 15 Ile HB . 15825 1
153 . 1 1 15 15 ILE HD11 H 1 0.877 0.03 . 1 . . . . 15 Ile HD1 . 15825 1
154 . 1 1 15 15 ILE HD12 H 1 0.877 0.03 . 1 . . . . 15 Ile HD1 . 15825 1
155 . 1 1 15 15 ILE HD13 H 1 0.877 0.03 . 1 . . . . 15 Ile HD1 . 15825 1
156 . 1 1 15 15 ILE HG12 H 1 1.411 0.03 . 2 . . . . 15 Ile HG12 . 15825 1
157 . 1 1 15 15 ILE HG13 H 1 1.127 0.03 . 2 . . . . 15 Ile HG13 . 15825 1
158 . 1 1 15 15 ILE HG21 H 1 0.970 0.03 . 1 . . . . 15 Ile HG2 . 15825 1
159 . 1 1 15 15 ILE HG22 H 1 0.970 0.03 . 1 . . . . 15 Ile HG2 . 15825 1
160 . 1 1 15 15 ILE HG23 H 1 0.970 0.03 . 1 . . . . 15 Ile HG2 . 15825 1
161 . 1 1 15 15 ILE C C 13 174.628 0.3 . 1 . . . . 15 Ile C . 15825 1
162 . 1 1 15 15 ILE CA C 13 60.110 0.3 . 1 . . . . 15 Ile CA . 15825 1
163 . 1 1 15 15 ILE CB C 13 41.251 0.3 . 1 . . . . 15 Ile CB . 15825 1
164 . 1 1 15 15 ILE CD1 C 13 13.773 0.3 . 1 . . . . 15 Ile CD1 . 15825 1
165 . 1 1 15 15 ILE CG1 C 13 27.315 0.3 . 1 . . . . 15 Ile CG1 . 15825 1
166 . 1 1 15 15 ILE CG2 C 13 18.070 0.3 . 1 . . . . 15 Ile CG2 . 15825 1
167 . 1 1 15 15 ILE N N 15 124.932 0.3 . 1 . . . . 15 Ile N . 15825 1
168 . 1 1 16 16 GLN H H 1 8.729 0.03 . 1 . . . . 16 Gln H . 15825 1
169 . 1 1 16 16 GLN HA H 1 4.737 0.03 . 1 . . . . 16 Gln HA . 15825 1
170 . 1 1 16 16 GLN HB2 H 1 2.007 0.03 . 2 . . . . 16 Gln HB2 . 15825 1
171 . 1 1 16 16 GLN HB3 H 1 2.007 0.03 . 2 . . . . 16 Gln HB3 . 15825 1
172 . 1 1 16 16 GLN HE21 H 1 7.428 0.03 . 1 . . . . 16 Gln HE21 . 15825 1
173 . 1 1 16 16 GLN HE22 H 1 6.637 0.03 . 1 . . . . 16 Gln HE22 . 15825 1
174 . 1 1 16 16 GLN HG2 H 1 2.342 0.03 . 2 . . . . 16 Gln HG2 . 15825 1
175 . 1 1 16 16 GLN HG3 H 1 2.169 0.03 . 2 . . . . 16 Gln HG3 . 15825 1
176 . 1 1 16 16 GLN C C 13 174.166 0.3 . 1 . . . . 16 Gln C . 15825 1
177 . 1 1 16 16 GLN CA C 13 55.571 0.3 . 1 . . . . 16 Gln CA . 15825 1
178 . 1 1 16 16 GLN CB C 13 29.610 0.3 . 1 . . . . 16 Gln CB . 15825 1
179 . 1 1 16 16 GLN CG C 13 34.263 0.3 . 1 . . . . 16 Gln CG . 15825 1
180 . 1 1 16 16 GLN N N 15 125.751 0.3 . 1 . . . . 16 Gln N . 15825 1
181 . 1 1 16 16 GLN NE2 N 15 110.980 0.3 . 1 . . . . 16 Gln NE2 . 15825 1
182 . 1 1 17 17 ALA H H 1 9.064 0.03 . 1 . . . . 17 Ala H . 15825 1
183 . 1 1 17 17 ALA HA H 1 5.251 0.03 . 1 . . . . 17 Ala HA . 15825 1
184 . 1 1 17 17 ALA HB1 H 1 1.220 0.03 . 1 . . . . 17 Ala HB . 15825 1
185 . 1 1 17 17 ALA HB2 H 1 1.220 0.03 . 1 . . . . 17 Ala HB . 15825 1
186 . 1 1 17 17 ALA HB3 H 1 1.220 0.03 . 1 . . . . 17 Ala HB . 15825 1
187 . 1 1 17 17 ALA C C 13 178.445 0.3 . 1 . . . . 17 Ala C . 15825 1
188 . 1 1 17 17 ALA CA C 13 49.625 0.3 . 1 . . . . 17 Ala CA . 15825 1
189 . 1 1 17 17 ALA CB C 13 22.445 0.3 . 1 . . . . 17 Ala CB . 15825 1
190 . 1 1 17 17 ALA N N 15 126.101 0.3 . 1 . . . . 17 Ala N . 15825 1
191 . 1 1 18 18 VAL H H 1 8.502 0.03 . 1 . . . . 18 Val H . 15825 1
192 . 1 1 18 18 VAL HA H 1 3.849 0.03 . 1 . . . . 18 Val HA . 15825 1
193 . 1 1 18 18 VAL HB H 1 2.115 0.03 . 1 . . . . 18 Val HB . 15825 1
194 . 1 1 18 18 VAL HG11 H 1 0.945 0.03 . 1 . . . . 18 Val HG1 . 15825 1
195 . 1 1 18 18 VAL HG12 H 1 0.945 0.03 . 1 . . . . 18 Val HG1 . 15825 1
196 . 1 1 18 18 VAL HG13 H 1 0.945 0.03 . 1 . . . . 18 Val HG1 . 15825 1
197 . 1 1 18 18 VAL HG21 H 1 0.942 0.03 . 1 . . . . 18 Val HG2 . 15825 1
198 . 1 1 18 18 VAL HG22 H 1 0.942 0.03 . 1 . . . . 18 Val HG2 . 15825 1
199 . 1 1 18 18 VAL HG23 H 1 0.942 0.03 . 1 . . . . 18 Val HG2 . 15825 1
200 . 1 1 18 18 VAL C C 13 173.813 0.3 . 1 . . . . 18 Val C . 15825 1
201 . 1 1 18 18 VAL CA C 13 63.651 0.3 . 1 . . . . 18 Val CA . 15825 1
202 . 1 1 18 18 VAL CB C 13 32.334 0.3 . 1 . . . . 18 Val CB . 15825 1
203 . 1 1 18 18 VAL CG1 C 13 21.778 0.3 . 1 . . . . 18 Val CG1 . 15825 1
204 . 1 1 18 18 VAL CG2 C 13 20.715 0.3 . 1 . . . . 18 Val CG2 . 15825 1
205 . 1 1 18 18 VAL N N 15 117.021 0.3 . 1 . . . . 18 Val N . 15825 1
206 . 1 1 19 19 ASP H H 1 7.582 0.03 . 1 . . . . 19 Asp H . 15825 1
207 . 1 1 19 19 ASP HA H 1 4.915 0.03 . 1 . . . . 19 Asp HA . 15825 1
208 . 1 1 19 19 ASP HB2 H 1 2.603 0.03 . 2 . . . . 19 Asp HB2 . 15825 1
209 . 1 1 19 19 ASP HB3 H 1 2.602 0.03 . 2 . . . . 19 Asp HB3 . 15825 1
210 . 1 1 19 19 ASP C C 13 175.063 0.3 . 1 . . . . 19 Asp C . 15825 1
211 . 1 1 19 19 ASP CA C 13 51.322 0.3 . 1 . . . . 19 Asp CA . 15825 1
212 . 1 1 19 19 ASP CB C 13 44.315 0.3 . 1 . . . . 19 Asp CB . 15825 1
213 . 1 1 19 19 ASP N N 15 115.232 0.3 . 1 . . . . 19 Asp N . 15825 1
214 . 1 1 20 20 THR H H 1 8.179 0.03 . 1 . . . . 20 Thr H . 15825 1
215 . 1 1 20 20 THR HA H 1 4.136 0.03 . 1 . . . . 20 Thr HA . 15825 1
216 . 1 1 20 20 THR HB H 1 3.838 0.03 . 1 . . . . 20 Thr HB . 15825 1
217 . 1 1 20 20 THR HG21 H 1 1.349 0.03 . 1 . . . . 20 Thr HG2 . 15825 1
218 . 1 1 20 20 THR HG22 H 1 1.349 0.03 . 1 . . . . 20 Thr HG2 . 15825 1
219 . 1 1 20 20 THR HG23 H 1 1.349 0.03 . 1 . . . . 20 Thr HG2 . 15825 1
220 . 1 1 20 20 THR C C 13 173.362 0.3 . 1 . . . . 20 Thr C . 15825 1
221 . 1 1 20 20 THR CA C 13 61.581 0.3 . 1 . . . . 20 Thr CA . 15825 1
222 . 1 1 20 20 THR CB C 13 70.435 0.3 . 1 . . . . 20 Thr CB . 15825 1
223 . 1 1 20 20 THR CG2 C 13 21.528 0.3 . 1 . . . . 20 Thr CG2 . 15825 1
224 . 1 1 20 20 THR N N 15 117.799 0.3 . 1 . . . . 20 Thr N . 15825 1
225 . 1 1 21 21 PRO HA H 1 4.673 0.03 . 1 . . . . 21 Pro HA . 15825 1
226 . 1 1 21 21 PRO HB2 H 1 2.156 0.03 . 2 . . . . 21 Pro HB2 . 15825 1
227 . 1 1 21 21 PRO HB3 H 1 2.039 0.03 . 2 . . . . 21 Pro HB3 . 15825 1
228 . 1 1 21 21 PRO HD2 H 1 3.861 0.03 . 2 . . . . 21 Pro HD2 . 15825 1
229 . 1 1 21 21 PRO HD3 H 1 3.614 0.03 . 2 . . . . 21 Pro HD3 . 15825 1
230 . 1 1 21 21 PRO HG2 H 1 1.701 0.03 . 2 . . . . 21 Pro HG2 . 15825 1
231 . 1 1 21 21 PRO HG3 H 1 1.374 0.03 . 2 . . . . 21 Pro HG3 . 15825 1
232 . 1 1 21 21 PRO C C 13 175.646 0.3 . 1 . . . . 21 Pro C . 15825 1
233 . 1 1 21 21 PRO CA C 13 63.083 0.3 . 1 . . . . 21 Pro CA . 15825 1
234 . 1 1 21 21 PRO CB C 13 33.147 0.3 . 1 . . . . 21 Pro CB . 15825 1
235 . 1 1 21 21 PRO CD C 13 51.233 0.3 . 1 . . . . 21 Pro CD . 15825 1
236 . 1 1 21 21 PRO CG C 13 27.484 0.3 . 1 . . . . 21 Pro CG . 15825 1
237 . 1 1 22 22 LYS H H 1 8.884 0.03 . 1 . . . . 22 Lys H . 15825 1
238 . 1 1 22 22 LYS HA H 1 4.635 0.03 . 1 . . . . 22 Lys HA . 15825 1
239 . 1 1 22 22 LYS HB2 H 1 1.947 0.03 . 2 . . . . 22 Lys HB2 . 15825 1
240 . 1 1 22 22 LYS HB3 H 1 1.947 0.03 . 2 . . . . 22 Lys HB3 . 15825 1
241 . 1 1 22 22 LYS HD2 H 1 1.736 0.03 . 2 . . . . 22 Lys HD2 . 15825 1
242 . 1 1 22 22 LYS HD3 H 1 1.739 0.03 . 2 . . . . 22 Lys HD3 . 15825 1
243 . 1 1 22 22 LYS HE2 H 1 3.017 0.03 . 2 . . . . 22 Lys HE2 . 15825 1
244 . 1 1 22 22 LYS HE3 H 1 3.010 0.03 . 2 . . . . 22 Lys HE3 . 15825 1
245 . 1 1 22 22 LYS HG2 H 1 1.581 0.03 . 2 . . . . 22 Lys HG2 . 15825 1
246 . 1 1 22 22 LYS HG3 H 1 1.422 0.03 . 2 . . . . 22 Lys HG3 . 15825 1
247 . 1 1 22 22 LYS C C 13 175.708 0.3 . 1 . . . . 22 Lys C . 15825 1
248 . 1 1 22 22 LYS CA C 13 55.350 0.3 . 1 . . . . 22 Lys CA . 15825 1
249 . 1 1 22 22 LYS CB C 13 34.013 0.3 . 1 . . . . 22 Lys CB . 15825 1
250 . 1 1 22 22 LYS CD C 13 29.065 0.3 . 1 . . . . 22 Lys CD . 15825 1
251 . 1 1 22 22 LYS CE C 13 42.229 0.3 . 1 . . . . 22 Lys CE . 15825 1
252 . 1 1 22 22 LYS CG C 13 25.052 0.3 . 1 . . . . 22 Lys CG . 15825 1
253 . 1 1 22 22 LYS N N 15 123.676 0.3 . 1 . . . . 22 Lys N . 15825 1
254 . 1 1 23 23 TYR H H 1 9.050 0.03 . 1 . . . . 23 Tyr H . 15825 1
255 . 1 1 23 23 TYR HA H 1 4.838 0.03 . 1 . . . . 23 Tyr HA . 15825 1
256 . 1 1 23 23 TYR HB2 H 1 2.766 0.03 . 2 . . . . 23 Tyr HB2 . 15825 1
257 . 1 1 23 23 TYR HB3 H 1 2.768 0.03 . 2 . . . . 23 Tyr HB3 . 15825 1
258 . 1 1 23 23 TYR HD1 H 1 6.194 0.03 . 3 . . . . 23 Tyr QD . 15825 1
259 . 1 1 23 23 TYR HD2 H 1 6.194 0.03 . 3 . . . . 23 Tyr QD . 15825 1
260 . 1 1 23 23 TYR HE1 H 1 6.333 0.03 . 3 . . . . 23 Tyr QE . 15825 1
261 . 1 1 23 23 TYR HE2 H 1 6.333 0.03 . 3 . . . . 23 Tyr QE . 15825 1
262 . 1 1 23 23 TYR C C 13 173.727 0.3 . 1 . . . . 23 Tyr C . 15825 1
263 . 1 1 23 23 TYR CA C 13 56.847 0.3 . 1 . . . . 23 Tyr CA . 15825 1
264 . 1 1 23 23 TYR CB C 13 39.859 0.3 . 1 . . . . 23 Tyr CB . 15825 1
265 . 1 1 23 23 TYR CD1 C 13 132.504 0.3 . 3 . . . . 23 Tyr CD1 . 15825 1
266 . 1 1 23 23 TYR CD2 C 13 132.504 0.3 . 3 . . . . 23 Tyr CD2 . 15825 1
267 . 1 1 23 23 TYR CE1 C 13 117.718 0.3 . 3 . . . . 23 Tyr CE1 . 15825 1
268 . 1 1 23 23 TYR CE2 C 13 117.718 0.3 . 3 . . . . 23 Tyr CE2 . 15825 1
269 . 1 1 23 23 TYR N N 15 126.691 0.3 . 1 . . . . 23 Tyr N . 15825 1
270 . 1 1 24 24 ASP H H 1 7.902 0.03 . 1 . . . . 24 Asp H . 15825 1
271 . 1 1 24 24 ASP HA H 1 4.575 0.03 . 1 . . . . 24 Asp HA . 15825 1
272 . 1 1 24 24 ASP HB2 H 1 2.686 0.03 . 2 . . . . 24 Asp HB2 . 15825 1
273 . 1 1 24 24 ASP HB3 H 1 2.345 0.03 . 2 . . . . 24 Asp HB3 . 15825 1
274 . 1 1 24 24 ASP C C 13 174.406 0.3 . 1 . . . . 24 Asp C . 15825 1
275 . 1 1 24 24 ASP CA C 13 52.207 0.3 . 1 . . . . 24 Asp CA . 15825 1
276 . 1 1 24 24 ASP CB C 13 41.893 0.3 . 1 . . . . 24 Asp CB . 15825 1
277 . 1 1 24 24 ASP N N 15 129.213 0.3 . 1 . . . . 24 Asp N . 15825 1
278 . 1 1 25 25 GLU H H 1 8.482 0.03 . 1 . . . . 25 Glu H . 15825 1
279 . 1 1 25 25 GLU HA H 1 3.583 0.03 . 1 . . . . 25 Glu HA . 15825 1
280 . 1 1 25 25 GLU HB2 H 1 1.979 0.03 . 2 . . . . 25 Glu HB2 . 15825 1
281 . 1 1 25 25 GLU HB3 H 1 1.980 0.03 . 2 . . . . 25 Glu HB3 . 15825 1
282 . 1 1 25 25 GLU HG2 H 1 2.295 0.03 . 2 . . . . 25 Glu HG2 . 15825 1
283 . 1 1 25 25 GLU HG3 H 1 2.294 0.03 . 2 . . . . 25 Glu HG3 . 15825 1
284 . 1 1 25 25 GLU C C 13 177.944 0.3 . 1 . . . . 25 Glu C . 15825 1
285 . 1 1 25 25 GLU CA C 13 58.374 0.3 . 1 . . . . 25 Glu CA . 15825 1
286 . 1 1 25 25 GLU CB C 13 29.627 0.3 . 1 . . . . 25 Glu CB . 15825 1
287 . 1 1 25 25 GLU CG C 13 35.866 0.3 . 1 . . . . 25 Glu CG . 15825 1
288 . 1 1 25 25 GLU N N 15 125.379 0.3 . 1 . . . . 25 Glu N . 15825 1
289 . 1 1 26 26 GLU H H 1 8.151 0.03 . 1 . . . . 26 Glu H . 15825 1
290 . 1 1 26 26 GLU HA H 1 4.027 0.03 . 1 . . . . 26 Glu HA . 15825 1
291 . 1 1 26 26 GLU HB2 H 1 2.057 0.03 . 2 . . . . 26 Glu HB2 . 15825 1
292 . 1 1 26 26 GLU HB3 H 1 2.055 0.03 . 2 . . . . 26 Glu HB3 . 15825 1
293 . 1 1 26 26 GLU HG2 H 1 2.276 0.03 . 2 . . . . 26 Glu HG2 . 15825 1
294 . 1 1 26 26 GLU HG3 H 1 2.204 0.03 . 2 . . . . 26 Glu HG3 . 15825 1
295 . 1 1 26 26 GLU C C 13 177.719 0.3 . 1 . . . . 26 Glu C . 15825 1
296 . 1 1 26 26 GLU CA C 13 58.921 0.3 . 1 . . . . 26 Glu CA . 15825 1
297 . 1 1 26 26 GLU CB C 13 29.514 0.3 . 1 . . . . 26 Glu CB . 15825 1
298 . 1 1 26 26 GLU CG C 13 36.383 0.3 . 1 . . . . 26 Glu CG . 15825 1
299 . 1 1 26 26 GLU N N 15 117.871 0.3 . 1 . . . . 26 Glu N . 15825 1
300 . 1 1 27 27 SER H H 1 7.649 0.03 . 1 . . . . 27 Ser H . 15825 1
301 . 1 1 27 27 SER HA H 1 4.489 0.03 . 1 . . . . 27 Ser HA . 15825 1
302 . 1 1 27 27 SER HB2 H 1 3.922 0.03 . 2 . . . . 27 Ser HB2 . 15825 1
303 . 1 1 27 27 SER HB3 H 1 3.834 0.03 . 2 . . . . 27 Ser HB3 . 15825 1
304 . 1 1 27 27 SER C C 13 175.829 0.3 . 1 . . . . 27 Ser C . 15825 1
305 . 1 1 27 27 SER CA C 13 58.799 0.3 . 1 . . . . 27 Ser CA . 15825 1
306 . 1 1 27 27 SER CB C 13 64.652 0.3 . 1 . . . . 27 Ser CB . 15825 1
307 . 1 1 27 27 SER N N 15 111.517 0.3 . 1 . . . . 27 Ser N . 15825 1
308 . 1 1 28 28 GLY H H 1 8.267 0.03 . 1 . . . . 28 Gly H . 15825 1
309 . 1 1 28 28 GLY HA2 H 1 4.068 0.03 . 2 . . . . 28 Gly HA2 . 15825 1
310 . 1 1 28 28 GLY HA3 H 1 3.836 0.03 . 2 . . . . 28 Gly HA3 . 15825 1
311 . 1 1 28 28 GLY C C 13 173.436 0.3 . 1 . . . . 28 Gly C . 15825 1
312 . 1 1 28 28 GLY CA C 13 46.072 0.3 . 1 . . . . 28 Gly CA . 15825 1
313 . 1 1 28 28 GLY N N 15 111.550 0.3 . 1 . . . . 28 Gly N . 15825 1
314 . 1 1 29 29 PHE H H 1 7.348 0.03 . 1 . . . . 29 Phe H . 15825 1
315 . 1 1 29 29 PHE HA H 1 5.032 0.03 . 1 . . . . 29 Phe HA . 15825 1
316 . 1 1 29 29 PHE HB2 H 1 2.915 0.03 . 2 . . . . 29 Phe HB2 . 15825 1
317 . 1 1 29 29 PHE HB3 H 1 2.760 0.03 . 2 . . . . 29 Phe HB3 . 15825 1
318 . 1 1 29 29 PHE HD1 H 1 7.006 0.03 . 3 . . . . 29 Phe QD . 15825 1
319 . 1 1 29 29 PHE HD2 H 1 7.006 0.03 . 3 . . . . 29 Phe QD . 15825 1
320 . 1 1 29 29 PHE HE1 H 1 7.387 0.03 . 3 . . . . 29 Phe QE . 15825 1
321 . 1 1 29 29 PHE HE2 H 1 7.387 0.03 . 3 . . . . 29 Phe QE . 15825 1
322 . 1 1 29 29 PHE HZ H 1 7.406 0.03 . 1 . . . . 29 Phe HZ . 15825 1
323 . 1 1 29 29 PHE C C 13 175.722 0.3 . 1 . . . . 29 Phe C . 15825 1
324 . 1 1 29 29 PHE CA C 13 57.530 0.3 . 1 . . . . 29 Phe CA . 15825 1
325 . 1 1 29 29 PHE CB C 13 41.490 0.3 . 1 . . . . 29 Phe CB . 15825 1
326 . 1 1 29 29 PHE CD1 C 13 131.658 0.3 . 3 . . . . 29 Phe CD1 . 15825 1
327 . 1 1 29 29 PHE CD2 C 13 131.658 0.3 . 3 . . . . 29 Phe CD2 . 15825 1
328 . 1 1 29 29 PHE CE1 C 13 131.658 0.3 . 3 . . . . 29 Phe CE1 . 15825 1
329 . 1 1 29 29 PHE CE2 C 13 131.658 0.3 . 3 . . . . 29 Phe CE2 . 15825 1
330 . 1 1 29 29 PHE CZ C 13 130.159 0.3 . 1 . . . . 29 Phe CZ . 15825 1
331 . 1 1 29 29 PHE N N 15 116.258 0.3 . 1 . . . . 29 Phe N . 15825 1
332 . 1 1 30 30 TYR H H 1 9.291 0.03 . 1 . . . . 30 Tyr H . 15825 1
333 . 1 1 30 30 TYR HA H 1 5.521 0.03 . 1 . . . . 30 Tyr HA . 15825 1
334 . 1 1 30 30 TYR HB2 H 1 3.085 0.03 . 2 . . . . 30 Tyr HB2 . 15825 1
335 . 1 1 30 30 TYR HB3 H 1 2.882 0.03 . 2 . . . . 30 Tyr HB3 . 15825 1
336 . 1 1 30 30 TYR HD1 H 1 6.963 0.03 . 3 . . . . 30 Tyr QD . 15825 1
337 . 1 1 30 30 TYR HD2 H 1 6.963 0.03 . 3 . . . . 30 Tyr QD . 15825 1
338 . 1 1 30 30 TYR HE1 H 1 6.617 0.03 . 3 . . . . 30 Tyr QE . 15825 1
339 . 1 1 30 30 TYR HE2 H 1 6.617 0.03 . 3 . . . . 30 Tyr QE . 15825 1
340 . 1 1 30 30 TYR C C 13 175.986 0.3 . 1 . . . . 30 Tyr C . 15825 1
341 . 1 1 30 30 TYR CA C 13 57.938 0.3 . 1 . . . . 30 Tyr CA . 15825 1
342 . 1 1 30 30 TYR CB C 13 41.180 0.3 . 1 . . . . 30 Tyr CB . 15825 1
343 . 1 1 30 30 TYR CD1 C 13 132.326 0.3 . 3 . . . . 30 Tyr CD1 . 15825 1
344 . 1 1 30 30 TYR CD2 C 13 132.326 0.3 . 3 . . . . 30 Tyr CD2 . 15825 1
345 . 1 1 30 30 TYR CE1 C 13 118.021 0.3 . 3 . . . . 30 Tyr CE1 . 15825 1
346 . 1 1 30 30 TYR CE2 C 13 118.021 0.3 . 3 . . . . 30 Tyr CE2 . 15825 1
347 . 1 1 30 30 TYR N N 15 118.874 0.3 . 1 . . . . 30 Tyr N . 15825 1
348 . 1 1 31 31 GLU H H 1 9.262 0.03 . 1 . . . . 31 Glu H . 15825 1
349 . 1 1 31 31 GLU HA H 1 5.433 0.03 . 1 . . . . 31 Glu HA . 15825 1
350 . 1 1 31 31 GLU HB2 H 1 2.035 0.03 . 2 . . . . 31 Glu HB2 . 15825 1
351 . 1 1 31 31 GLU HB3 H 1 2.029 0.03 . 2 . . . . 31 Glu HB3 . 15825 1
352 . 1 1 31 31 GLU HG2 H 1 2.207 0.03 . 2 . . . . 31 Glu HG2 . 15825 1
353 . 1 1 31 31 GLU HG3 H 1 2.094 0.03 . 2 . . . . 31 Glu HG3 . 15825 1
354 . 1 1 31 31 GLU C C 13 175.710 0.3 . 1 . . . . 31 Glu C . 15825 1
355 . 1 1 31 31 GLU CA C 13 55.198 0.3 . 1 . . . . 31 Glu CA . 15825 1
356 . 1 1 31 31 GLU CB C 13 33.296 0.3 . 1 . . . . 31 Glu CB . 15825 1
357 . 1 1 31 31 GLU CG C 13 36.846 0.3 . 1 . . . . 31 Glu CG . 15825 1
358 . 1 1 31 31 GLU N N 15 121.240 0.3 . 1 . . . . 31 Glu N . 15825 1
359 . 1 1 32 32 PHE H H 1 8.490 0.03 . 1 . . . . 32 Phe H . 15825 1
360 . 1 1 32 32 PHE HA H 1 5.114 0.03 . 1 . . . . 32 Phe HA . 15825 1
361 . 1 1 32 32 PHE HB2 H 1 3.132 0.03 . 2 . . . . 32 Phe HB2 . 15825 1
362 . 1 1 32 32 PHE HB3 H 1 3.056 0.03 . 2 . . . . 32 Phe HB3 . 15825 1
363 . 1 1 32 32 PHE HD1 H 1 6.789 0.03 . 3 . . . . 32 Phe QD . 15825 1
364 . 1 1 32 32 PHE HD2 H 1 6.789 0.03 . 3 . . . . 32 Phe QD . 15825 1
365 . 1 1 32 32 PHE HE1 H 1 6.996 0.03 . 3 . . . . 32 Phe QE . 15825 1
366 . 1 1 32 32 PHE HE2 H 1 6.996 0.03 . 3 . . . . 32 Phe QE . 15825 1
367 . 1 1 32 32 PHE HZ H 1 7.030 0.03 . 1 . . . . 32 Phe HZ . 15825 1
368 . 1 1 32 32 PHE C C 13 171.353 0.3 . 1 . . . . 32 Phe C . 15825 1
369 . 1 1 32 32 PHE CA C 13 55.938 0.3 . 1 . . . . 32 Phe CA . 15825 1
370 . 1 1 32 32 PHE CB C 13 40.003 0.3 . 1 . . . . 32 Phe CB . 15825 1
371 . 1 1 32 32 PHE CD1 C 13 132.332 0.3 . 3 . . . . 32 Phe CD1 . 15825 1
372 . 1 1 32 32 PHE CD2 C 13 132.332 0.3 . 3 . . . . 32 Phe CD2 . 15825 1
373 . 1 1 32 32 PHE CE1 C 13 130.384 0.3 . 3 . . . . 32 Phe CE1 . 15825 1
374 . 1 1 32 32 PHE CE2 C 13 130.384 0.3 . 3 . . . . 32 Phe CE2 . 15825 1
375 . 1 1 32 32 PHE CZ C 13 129.365 0.3 . 1 . . . . 32 Phe CZ . 15825 1
376 . 1 1 32 32 PHE N N 15 120.828 0.3 . 1 . . . . 32 Phe N . 15825 1
377 . 1 1 33 33 LYS H H 1 9.212 0.03 . 1 . . . . 33 Lys H . 15825 1
378 . 1 1 33 33 LYS HA H 1 4.929 0.03 . 1 . . . . 33 Lys HA . 15825 1
379 . 1 1 33 33 LYS HB2 H 1 1.734 0.03 . 2 . . . . 33 Lys HB2 . 15825 1
380 . 1 1 33 33 LYS HB3 H 1 1.692 0.03 . 2 . . . . 33 Lys HB3 . 15825 1
381 . 1 1 33 33 LYS HD2 H 1 1.660 0.03 . 2 . . . . 33 Lys HD2 . 15825 1
382 . 1 1 33 33 LYS HD3 H 1 1.660 0.03 . 2 . . . . 33 Lys HD3 . 15825 1
383 . 1 1 33 33 LYS HE2 H 1 2.993 0.03 . 2 . . . . 33 Lys HE2 . 15825 1
384 . 1 1 33 33 LYS HE3 H 1 2.988 0.03 . 2 . . . . 33 Lys HE3 . 15825 1
385 . 1 1 33 33 LYS HG2 H 1 1.423 0.03 . 2 . . . . 33 Lys HG2 . 15825 1
386 . 1 1 33 33 LYS HG3 H 1 1.287 0.03 . 2 . . . . 33 Lys HG3 . 15825 1
387 . 1 1 33 33 LYS C C 13 176.283 0.3 . 1 . . . . 33 Lys C . 15825 1
388 . 1 1 33 33 LYS CA C 13 55.075 0.3 . 1 . . . . 33 Lys CA . 15825 1
389 . 1 1 33 33 LYS CB C 13 34.656 0.3 . 1 . . . . 33 Lys CB . 15825 1
390 . 1 1 33 33 LYS CD C 13 29.685 0.3 . 1 . . . . 33 Lys CD . 15825 1
391 . 1 1 33 33 LYS CE C 13 42.129 0.3 . 1 . . . . 33 Lys CE . 15825 1
392 . 1 1 33 33 LYS CG C 13 24.917 0.3 . 1 . . . . 33 Lys CG . 15825 1
393 . 1 1 33 33 LYS N N 15 120.896 0.3 . 1 . . . . 33 Lys N . 15825 1
394 . 1 1 34 34 GLN H H 1 8.363 0.03 . 1 . . . . 34 Gln H . 15825 1
395 . 1 1 34 34 GLN HA H 1 4.937 0.03 . 1 . . . . 34 Gln HA . 15825 1
396 . 1 1 34 34 GLN HB2 H 1 2.597 0.03 . 2 . . . . 34 Gln HB2 . 15825 1
397 . 1 1 34 34 GLN HB3 H 1 2.370 0.03 . 2 . . . . 34 Gln HB3 . 15825 1
398 . 1 1 34 34 GLN HE21 H 1 8.031 0.03 . 1 . . . . 34 Gln HE21 . 15825 1
399 . 1 1 34 34 GLN HE22 H 1 6.989 0.03 . 1 . . . . 34 Gln HE22 . 15825 1
400 . 1 1 34 34 GLN HG2 H 1 2.608 0.03 . 2 . . . . 34 Gln HG2 . 15825 1
401 . 1 1 34 34 GLN HG3 H 1 2.483 0.03 . 2 . . . . 34 Gln HG3 . 15825 1
402 . 1 1 34 34 GLN C C 13 177.661 0.3 . 1 . . . . 34 Gln C . 15825 1
403 . 1 1 34 34 GLN CA C 13 55.865 0.3 . 1 . . . . 34 Gln CA . 15825 1
404 . 1 1 34 34 GLN CB C 13 31.163 0.3 . 1 . . . . 34 Gln CB . 15825 1
405 . 1 1 34 34 GLN CG C 13 36.083 0.3 . 1 . . . . 34 Gln CG . 15825 1
406 . 1 1 34 34 GLN N N 15 122.546 0.3 . 1 . . . . 34 Gln N . 15825 1
407 . 1 1 34 34 GLN NE2 N 15 113.434 0.3 . 1 . . . . 34 Gln NE2 . 15825 1
408 . 1 1 35 35 LEU H H 1 8.633 0.03 . 1 . . . . 35 Leu H . 15825 1
409 . 1 1 35 35 LEU HA H 1 3.927 0.03 . 1 . . . . 35 Leu HA . 15825 1
410 . 1 1 35 35 LEU HB2 H 1 1.636 0.03 . 2 . . . . 35 Leu HB2 . 15825 1
411 . 1 1 35 35 LEU HB3 H 1 1.641 0.03 . 2 . . . . 35 Leu HB3 . 15825 1
412 . 1 1 35 35 LEU HD11 H 1 0.892 0.03 . 1 . . . . 35 Leu HD1 . 15825 1
413 . 1 1 35 35 LEU HD12 H 1 0.892 0.03 . 1 . . . . 35 Leu HD1 . 15825 1
414 . 1 1 35 35 LEU HD13 H 1 0.892 0.03 . 1 . . . . 35 Leu HD1 . 15825 1
415 . 1 1 35 35 LEU HD21 H 1 0.831 0.03 . 1 . . . . 35 Leu HD2 . 15825 1
416 . 1 1 35 35 LEU HD22 H 1 0.831 0.03 . 1 . . . . 35 Leu HD2 . 15825 1
417 . 1 1 35 35 LEU HD23 H 1 0.831 0.03 . 1 . . . . 35 Leu HD2 . 15825 1
418 . 1 1 35 35 LEU HG H 1 1.658 0.03 . 1 . . . . 35 Leu HG . 15825 1
419 . 1 1 35 35 LEU C C 13 177.698 0.3 . 1 . . . . 35 Leu C . 15825 1
420 . 1 1 35 35 LEU CA C 13 58.170 0.3 . 1 . . . . 35 Leu CA . 15825 1
421 . 1 1 35 35 LEU CB C 13 41.611 0.3 . 1 . . . . 35 Leu CB . 15825 1
422 . 1 1 35 35 LEU CD1 C 13 24.714 0.3 . 1 . . . . 35 Leu CD1 . 15825 1
423 . 1 1 35 35 LEU CD2 C 13 23.349 0.3 . 1 . . . . 35 Leu CD2 . 15825 1
424 . 1 1 35 35 LEU CG C 13 27.393 0.3 . 1 . . . . 35 Leu CG . 15825 1
425 . 1 1 35 35 LEU N N 15 121.448 0.3 . 1 . . . . 35 Leu N . 15825 1
426 . 1 1 36 36 ASP H H 1 7.933 0.03 . 1 . . . . 36 Asp H . 15825 1
427 . 1 1 36 36 ASP HA H 1 4.453 0.03 . 1 . . . . 36 Asp HA . 15825 1
428 . 1 1 36 36 ASP HB2 H 1 3.030 0.03 . 2 . . . . 36 Asp HB2 . 15825 1
429 . 1 1 36 36 ASP HB3 H 1 2.618 0.03 . 2 . . . . 36 Asp HB3 . 15825 1
430 . 1 1 36 36 ASP C C 13 177.078 0.3 . 1 . . . . 36 Asp C . 15825 1
431 . 1 1 36 36 ASP CA C 13 53.656 0.3 . 1 . . . . 36 Asp CA . 15825 1
432 . 1 1 36 36 ASP CB C 13 39.787 0.3 . 1 . . . . 36 Asp CB . 15825 1
433 . 1 1 36 36 ASP N N 15 115.628 0.3 . 1 . . . . 36 Asp N . 15825 1
434 . 1 1 37 37 GLY H H 1 8.206 0.03 . 1 . . . . 37 Gly H . 15825 1
435 . 1 1 37 37 GLY HA2 H 1 4.304 0.03 . 2 . . . . 37 Gly HA2 . 15825 1
436 . 1 1 37 37 GLY HA3 H 1 3.642 0.03 . 2 . . . . 37 Gly HA3 . 15825 1
437 . 1 1 37 37 GLY C C 13 174.294 0.3 . 1 . . . . 37 Gly C . 15825 1
438 . 1 1 37 37 GLY CA C 13 45.024 0.3 . 1 . . . . 37 Gly CA . 15825 1
439 . 1 1 37 37 GLY N N 15 108.414 0.3 . 1 . . . . 37 Gly N . 15825 1
440 . 1 1 38 38 LYS H H 1 7.814 0.03 . 1 . . . . 38 Lys H . 15825 1
441 . 1 1 38 38 LYS HA H 1 4.201 0.03 . 1 . . . . 38 Lys HA . 15825 1
442 . 1 1 38 38 LYS HB2 H 1 1.780 0.03 . 2 . . . . 38 Lys HB2 . 15825 1
443 . 1 1 38 38 LYS HB3 H 1 1.683 0.03 . 2 . . . . 38 Lys HB3 . 15825 1
444 . 1 1 38 38 LYS HD2 H 1 1.627 0.03 . 2 . . . . 38 Lys HD2 . 15825 1
445 . 1 1 38 38 LYS HD3 H 1 1.627 0.03 . 2 . . . . 38 Lys HD3 . 15825 1
446 . 1 1 38 38 LYS HE2 H 1 2.974 0.03 . 2 . . . . 38 Lys HE2 . 15825 1
447 . 1 1 38 38 LYS HE3 H 1 2.974 0.03 . 2 . . . . 38 Lys HE3 . 15825 1
448 . 1 1 38 38 LYS HG2 H 1 1.371 0.03 . 2 . . . . 38 Lys HG2 . 15825 1
449 . 1 1 38 38 LYS HG3 H 1 1.268 0.03 . 2 . . . . 38 Lys HG3 . 15825 1
450 . 1 1 38 38 LYS C C 13 176.748 0.3 . 1 . . . . 38 Lys C . 15825 1
451 . 1 1 38 38 LYS CA C 13 57.080 0.3 . 1 . . . . 38 Lys CA . 15825 1
452 . 1 1 38 38 LYS CB C 13 33.029 0.3 . 1 . . . . 38 Lys CB . 15825 1
453 . 1 1 38 38 LYS CD C 13 29.156 0.3 . 1 . . . . 38 Lys CD . 15825 1
454 . 1 1 38 38 LYS CE C 13 42.089 0.3 . 1 . . . . 38 Lys CE . 15825 1
455 . 1 1 38 38 LYS CG C 13 25.044 0.3 . 1 . . . . 38 Lys CG . 15825 1
456 . 1 1 38 38 LYS N N 15 121.023 0.3 . 1 . . . . 38 Lys N . 15825 1
457 . 1 1 39 39 GLN H H 1 8.744 0.03 . 1 . . . . 39 Gln H . 15825 1
458 . 1 1 39 39 GLN HA H 1 4.591 0.03 . 1 . . . . 39 Gln HA . 15825 1
459 . 1 1 39 39 GLN HB2 H 1 2.001 0.03 . 2 . . . . 39 Gln HB2 . 15825 1
460 . 1 1 39 39 GLN HB3 H 1 1.945 0.03 . 2 . . . . 39 Gln HB3 . 15825 1
461 . 1 1 39 39 GLN HE21 H 1 7.523 0.03 . 1 . . . . 39 Gln HE21 . 15825 1
462 . 1 1 39 39 GLN HE22 H 1 6.743 0.03 . 1 . . . . 39 Gln HE22 . 15825 1
463 . 1 1 39 39 GLN HG2 H 1 2.251 0.03 . 2 . . . . 39 Gln HG2 . 15825 1
464 . 1 1 39 39 GLN HG3 H 1 2.252 0.03 . 2 . . . . 39 Gln HG3 . 15825 1
465 . 1 1 39 39 GLN C C 13 175.617 0.3 . 1 . . . . 39 Gln C . 15825 1
466 . 1 1 39 39 GLN CA C 13 55.952 0.3 . 1 . . . . 39 Gln CA . 15825 1
467 . 1 1 39 39 GLN CB C 13 29.146 0.3 . 1 . . . . 39 Gln CB . 15825 1
468 . 1 1 39 39 GLN CD C 13 179.703 0.3 . 1 . . . . 39 Gln CD . 15825 1
469 . 1 1 39 39 GLN CG C 13 33.642 0.3 . 1 . . . . 39 Gln CG . 15825 1
470 . 1 1 39 39 GLN N N 15 126.544 0.3 . 1 . . . . 39 Gln N . 15825 1
471 . 1 1 39 39 GLN NE2 N 15 111.188 0.3 . 1 . . . . 39 Gln NE2 . 15825 1
472 . 1 1 40 40 THR H H 1 8.890 0.03 . 1 . . . . 40 Thr H . 15825 1
473 . 1 1 40 40 THR HA H 1 4.381 0.03 . 1 . . . . 40 Thr HA . 15825 1
474 . 1 1 40 40 THR HB H 1 2.928 0.03 . 1 . . . . 40 Thr HB . 15825 1
475 . 1 1 40 40 THR HG21 H 1 0.780 0.03 . 1 . . . . 40 Thr HG2 . 15825 1
476 . 1 1 40 40 THR HG22 H 1 0.780 0.03 . 1 . . . . 40 Thr HG2 . 15825 1
477 . 1 1 40 40 THR HG23 H 1 0.780 0.03 . 1 . . . . 40 Thr HG2 . 15825 1
478 . 1 1 40 40 THR C C 13 170.957 0.3 . 1 . . . . 40 Thr C . 15825 1
479 . 1 1 40 40 THR CA C 13 61.370 0.3 . 1 . . . . 40 Thr CA . 15825 1
480 . 1 1 40 40 THR CB C 13 70.837 0.3 . 1 . . . . 40 Thr CB . 15825 1
481 . 1 1 40 40 THR CG2 C 13 21.369 0.3 . 1 . . . . 40 Thr CG2 . 15825 1
482 . 1 1 40 40 THR N N 15 123.710 0.3 . 1 . . . . 40 Thr N . 15825 1
483 . 1 1 41 41 ARG H H 1 8.172 0.03 . 1 . . . . 41 Arg H . 15825 1
484 . 1 1 41 41 ARG HA H 1 5.674 0.03 . 1 . . . . 41 Arg HA . 15825 1
485 . 1 1 41 41 ARG HB2 H 1 1.642 0.03 . 2 . . . . 41 Arg HB2 . 15825 1
486 . 1 1 41 41 ARG HB3 H 1 1.573 0.03 . 2 . . . . 41 Arg HB3 . 15825 1
487 . 1 1 41 41 ARG HD2 H 1 2.775 0.03 . 2 . . . . 41 Arg HD2 . 15825 1
488 . 1 1 41 41 ARG HD3 H 1 2.617 0.03 . 2 . . . . 41 Arg HD3 . 15825 1
489 . 1 1 41 41 ARG HE H 1 7.000 0.03 . 1 . . . . 41 Arg HE . 15825 1
490 . 1 1 41 41 ARG HG2 H 1 1.421 0.03 . 2 . . . . 41 Arg HG2 . 15825 1
491 . 1 1 41 41 ARG HG3 H 1 1.421 0.03 . 2 . . . . 41 Arg HG3 . 15825 1
492 . 1 1 41 41 ARG C C 13 175.662 0.3 . 1 . . . . 41 Arg C . 15825 1
493 . 1 1 41 41 ARG CA C 13 54.324 0.3 . 1 . . . . 41 Arg CA . 15825 1
494 . 1 1 41 41 ARG CB C 13 33.458 0.3 . 1 . . . . 41 Arg CB . 15825 1
495 . 1 1 41 41 ARG CD C 13 43.503 0.3 . 1 . . . . 41 Arg CD . 15825 1
496 . 1 1 41 41 ARG CG C 13 27.229 0.3 . 1 . . . . 41 Arg CG . 15825 1
497 . 1 1 41 41 ARG N N 15 122.900 0.3 . 1 . . . . 41 Arg N . 15825 1
498 . 1 1 41 41 ARG NE N 15 83.823 0.3 . 1 . . . . 41 Arg NE . 15825 1
499 . 1 1 42 42 ILE H H 1 9.139 0.03 . 1 . . . . 42 Ile H . 15825 1
500 . 1 1 42 42 ILE HA H 1 4.732 0.03 . 1 . . . . 42 Ile HA . 15825 1
501 . 1 1 42 42 ILE HB H 1 1.745 0.03 . 1 . . . . 42 Ile HB . 15825 1
502 . 1 1 42 42 ILE HD11 H 1 0.949 0.03 . 1 . . . . 42 Ile HD1 . 15825 1
503 . 1 1 42 42 ILE HD12 H 1 0.949 0.03 . 1 . . . . 42 Ile HD1 . 15825 1
504 . 1 1 42 42 ILE HD13 H 1 0.949 0.03 . 1 . . . . 42 Ile HD1 . 15825 1
505 . 1 1 42 42 ILE HG12 H 1 1.627 0.03 . 2 . . . . 42 Ile HG12 . 15825 1
506 . 1 1 42 42 ILE HG13 H 1 1.342 0.03 . 2 . . . . 42 Ile HG13 . 15825 1
507 . 1 1 42 42 ILE HG21 H 1 1.009 0.03 . 1 . . . . 42 Ile HG2 . 15825 1
508 . 1 1 42 42 ILE HG22 H 1 1.009 0.03 . 1 . . . . 42 Ile HG2 . 15825 1
509 . 1 1 42 42 ILE HG23 H 1 1.009 0.03 . 1 . . . . 42 Ile HG2 . 15825 1
510 . 1 1 42 42 ILE C C 13 173.797 0.3 . 1 . . . . 42 Ile C . 15825 1
511 . 1 1 42 42 ILE CA C 13 59.489 0.3 . 1 . . . . 42 Ile CA . 15825 1
512 . 1 1 42 42 ILE CB C 13 42.786 0.3 . 1 . . . . 42 Ile CB . 15825 1
513 . 1 1 42 42 ILE CD1 C 13 13.976 0.3 . 1 . . . . 42 Ile CD1 . 15825 1
514 . 1 1 42 42 ILE CG1 C 13 28.150 0.3 . 1 . . . . 42 Ile CG1 . 15825 1
515 . 1 1 42 42 ILE CG2 C 13 17.527 0.3 . 1 . . . . 42 Ile CG2 . 15825 1
516 . 1 1 42 42 ILE N N 15 121.974 0.3 . 1 . . . . 42 Ile N . 15825 1
517 . 1 1 43 43 ASN H H 1 9.114 0.03 . 1 . . . . 43 Asn H . 15825 1
518 . 1 1 43 43 ASN HA H 1 3.933 0.03 . 1 . . . . 43 Asn HA . 15825 1
519 . 1 1 43 43 ASN HB2 H 1 2.680 0.03 . 2 . . . . 43 Asn HB2 . 15825 1
520 . 1 1 43 43 ASN HB3 H 1 2.304 0.03 . 2 . . . . 43 Asn HB3 . 15825 1
521 . 1 1 43 43 ASN HD21 H 1 6.880 0.03 . 1 . . . . 43 Asn HD21 . 15825 1
522 . 1 1 43 43 ASN HD22 H 1 6.220 0.03 . 1 . . . . 43 Asn HD22 . 15825 1
523 . 1 1 43 43 ASN C C 13 176.105 0.3 . 1 . . . . 43 Asn C . 15825 1
524 . 1 1 43 43 ASN CA C 13 54.763 0.3 . 1 . . . . 43 Asn CA . 15825 1
525 . 1 1 43 43 ASN CB C 13 39.516 0.3 . 1 . . . . 43 Asn CB . 15825 1
526 . 1 1 43 43 ASN N N 15 128.781 0.3 . 1 . . . . 43 Asn N . 15825 1
527 . 1 1 43 43 ASN ND2 N 15 112.155 0.3 . 1 . . . . 43 Asn ND2 . 15825 1
528 . 1 1 44 44 LYS H H 1 8.742 0.03 . 1 . . . . 44 Lys H . 15825 1
529 . 1 1 44 44 LYS HA H 1 4.144 0.03 . 1 . . . . 44 Lys HA . 15825 1
530 . 1 1 44 44 LYS HB2 H 1 1.920 0.03 . 2 . . . . 44 Lys HB2 . 15825 1
531 . 1 1 44 44 LYS HB3 H 1 1.919 0.03 . 2 . . . . 44 Lys HB3 . 15825 1
532 . 1 1 44 44 LYS HD2 H 1 1.657 0.03 . 2 . . . . 44 Lys HD2 . 15825 1
533 . 1 1 44 44 LYS HD3 H 1 1.538 0.03 . 2 . . . . 44 Lys HD3 . 15825 1
534 . 1 1 44 44 LYS HE2 H 1 2.945 0.03 . 2 . . . . 44 Lys HE2 . 15825 1
535 . 1 1 44 44 LYS HE3 H 1 2.945 0.03 . 2 . . . . 44 Lys HE3 . 15825 1
536 . 1 1 44 44 LYS HG2 H 1 1.621 0.03 . 2 . . . . 44 Lys HG2 . 15825 1
537 . 1 1 44 44 LYS HG3 H 1 1.381 0.03 . 2 . . . . 44 Lys HG3 . 15825 1
538 . 1 1 44 44 LYS C C 13 177.396 0.3 . 1 . . . . 44 Lys C . 15825 1
539 . 1 1 44 44 LYS CA C 13 59.759 0.3 . 1 . . . . 44 Lys CA . 15825 1
540 . 1 1 44 44 LYS CB C 13 32.120 0.3 . 1 . . . . 44 Lys CB . 15825 1
541 . 1 1 44 44 LYS CD C 13 29.456 0.3 . 1 . . . . 44 Lys CD . 15825 1
542 . 1 1 44 44 LYS CE C 13 42.280 0.3 . 1 . . . . 44 Lys CE . 15825 1
543 . 1 1 44 44 LYS CG C 13 24.085 0.3 . 1 . . . . 44 Lys CG . 15825 1
544 . 1 1 44 44 LYS N N 15 125.110 0.3 . 1 . . . . 44 Lys N . 15825 1
545 . 1 1 45 45 ASP H H 1 8.951 0.03 . 1 . . . . 45 Asp H . 15825 1
546 . 1 1 45 45 ASP HA H 1 4.439 0.03 . 1 . . . . 45 Asp HA . 15825 1
547 . 1 1 45 45 ASP HB2 H 1 2.685 0.03 . 2 . . . . 45 Asp HB2 . 15825 1
548 . 1 1 45 45 ASP HB3 H 1 2.671 0.03 . 2 . . . . 45 Asp HB3 . 15825 1
549 . 1 1 45 45 ASP C C 13 177.091 0.3 . 1 . . . . 45 Asp C . 15825 1
550 . 1 1 45 45 ASP CA C 13 55.927 0.3 . 1 . . . . 45 Asp CA . 15825 1
551 . 1 1 45 45 ASP CB C 13 39.729 0.3 . 1 . . . . 45 Asp CB . 15825 1
552 . 1 1 45 45 ASP N N 15 120.134 0.3 . 1 . . . . 45 Asp N . 15825 1
553 . 1 1 46 46 GLN H H 1 7.965 0.03 . 1 . . . . 46 Gln H . 15825 1
554 . 1 1 46 46 GLN HA H 1 4.489 0.03 . 1 . . . . 46 Gln HA . 15825 1
555 . 1 1 46 46 GLN HB2 H 1 2.466 0.03 . 2 . . . . 46 Gln HB2 . 15825 1
556 . 1 1 46 46 GLN HB3 H 1 2.091 0.03 . 2 . . . . 46 Gln HB3 . 15825 1
557 . 1 1 46 46 GLN HE21 H 1 7.673 0.03 . 1 . . . . 46 Gln HE21 . 15825 1
558 . 1 1 46 46 GLN HE22 H 1 6.886 0.03 . 1 . . . . 46 Gln HE22 . 15825 1
559 . 1 1 46 46 GLN HG2 H 1 2.520 0.03 . 2 . . . . 46 Gln HG2 . 15825 1
560 . 1 1 46 46 GLN HG3 H 1 2.456 0.03 . 2 . . . . 46 Gln HG3 . 15825 1
561 . 1 1 46 46 GLN C C 13 175.868 0.3 . 1 . . . . 46 Gln C . 15825 1
562 . 1 1 46 46 GLN CA C 13 55.725 0.3 . 1 . . . . 46 Gln CA . 15825 1
563 . 1 1 46 46 GLN CB C 13 30.764 0.3 . 1 . . . . 46 Gln CB . 15825 1
564 . 1 1 46 46 GLN CG C 13 34.520 0.3 . 1 . . . . 46 Gln CG . 15825 1
565 . 1 1 46 46 GLN N N 15 115.991 0.3 . 1 . . . . 46 Gln N . 15825 1
566 . 1 1 46 46 GLN NE2 N 15 113.663 0.3 . 1 . . . . 46 Gln NE2 . 15825 1
567 . 1 1 47 47 VAL H H 1 7.604 0.03 . 1 . . . . 47 Val H . 15825 1
568 . 1 1 47 47 VAL HA H 1 3.677 0.03 . 1 . . . . 47 Val HA . 15825 1
569 . 1 1 47 47 VAL HB H 1 2.092 0.03 . 1 . . . . 47 Val HB . 15825 1
570 . 1 1 47 47 VAL HG11 H 1 0.730 0.03 . 1 . . . . 47 Val HG1 . 15825 1
571 . 1 1 47 47 VAL HG12 H 1 0.730 0.03 . 1 . . . . 47 Val HG1 . 15825 1
572 . 1 1 47 47 VAL HG13 H 1 0.730 0.03 . 1 . . . . 47 Val HG1 . 15825 1
573 . 1 1 47 47 VAL HG21 H 1 0.475 0.03 . 1 . . . . 47 Val HG2 . 15825 1
574 . 1 1 47 47 VAL HG22 H 1 0.475 0.03 . 1 . . . . 47 Val HG2 . 15825 1
575 . 1 1 47 47 VAL HG23 H 1 0.475 0.03 . 1 . . . . 47 Val HG2 . 15825 1
576 . 1 1 47 47 VAL C C 13 174.117 0.3 . 1 . . . . 47 Val C . 15825 1
577 . 1 1 47 47 VAL CA C 13 63.921 0.3 . 1 . . . . 47 Val CA . 15825 1
578 . 1 1 47 47 VAL CB C 13 33.690 0.3 . 1 . . . . 47 Val CB . 15825 1
579 . 1 1 47 47 VAL CG1 C 13 22.209 0.3 . 1 . . . . 47 Val CG1 . 15825 1
580 . 1 1 47 47 VAL CG2 C 13 21.762 0.3 . 1 . . . . 47 Val CG2 . 15825 1
581 . 1 1 47 47 VAL N N 15 121.177 0.3 . 1 . . . . 47 Val N . 15825 1
582 . 1 1 48 48 ARG H H 1 9.330 0.03 . 1 . . . . 48 Arg H . 15825 1
583 . 1 1 48 48 ARG HA H 1 4.394 0.03 . 1 . . . . 48 Arg HA . 15825 1
584 . 1 1 48 48 ARG HB2 H 1 1.646 0.03 . 2 . . . . 48 Arg HB2 . 15825 1
585 . 1 1 48 48 ARG HB3 H 1 1.482 0.03 . 2 . . . . 48 Arg HB3 . 15825 1
586 . 1 1 48 48 ARG HD2 H 1 3.250 0.03 . 2 . . . . 48 Arg HD2 . 15825 1
587 . 1 1 48 48 ARG HD3 H 1 3.103 0.03 . 2 . . . . 48 Arg HD3 . 15825 1
588 . 1 1 48 48 ARG HE H 1 7.284 0.03 . 1 . . . . 48 Arg HE . 15825 1
589 . 1 1 48 48 ARG HG2 H 1 1.679 0.03 . 2 . . . . 48 Arg HG2 . 15825 1
590 . 1 1 48 48 ARG HG3 H 1 1.579 0.03 . 2 . . . . 48 Arg HG3 . 15825 1
591 . 1 1 48 48 ARG C C 13 176.782 0.3 . 1 . . . . 48 Arg C . 15825 1
592 . 1 1 48 48 ARG CA C 13 57.758 0.3 . 1 . . . . 48 Arg CA . 15825 1
593 . 1 1 48 48 ARG CB C 13 32.217 0.3 . 1 . . . . 48 Arg CB . 15825 1
594 . 1 1 48 48 ARG CD C 13 43.820 0.3 . 1 . . . . 48 Arg CD . 15825 1
595 . 1 1 48 48 ARG CG C 13 26.786 0.3 . 1 . . . . 48 Arg CG . 15825 1
596 . 1 1 48 48 ARG N N 15 128.971 0.3 . 1 . . . . 48 Arg N . 15825 1
597 . 1 1 48 48 ARG NE N 15 84.120 0.3 . 1 . . . . 48 Arg NE . 15825 1
598 . 1 1 49 49 THR H H 1 7.713 0.03 . 1 . . . . 49 Thr H . 15825 1
599 . 1 1 49 49 THR HA H 1 4.569 0.03 . 1 . . . . 49 Thr HA . 15825 1
600 . 1 1 49 49 THR HB H 1 4.012 0.03 . 1 . . . . 49 Thr HB . 15825 1
601 . 1 1 49 49 THR HG21 H 1 1.093 0.03 . 1 . . . . 49 Thr HG2 . 15825 1
602 . 1 1 49 49 THR HG22 H 1 1.093 0.03 . 1 . . . . 49 Thr HG2 . 15825 1
603 . 1 1 49 49 THR HG23 H 1 1.093 0.03 . 1 . . . . 49 Thr HG2 . 15825 1
604 . 1 1 49 49 THR C C 13 171.665 0.3 . 1 . . . . 49 Thr C . 15825 1
605 . 1 1 49 49 THR CA C 13 60.464 0.3 . 1 . . . . 49 Thr CA . 15825 1
606 . 1 1 49 49 THR CB C 13 72.596 0.3 . 1 . . . . 49 Thr CB . 15825 1
607 . 1 1 49 49 THR CG2 C 13 21.864 0.3 . 1 . . . . 49 Thr CG2 . 15825 1
608 . 1 1 49 49 THR N N 15 108.581 0.3 . 1 . . . . 49 Thr N . 15825 1
609 . 1 1 50 50 VAL H H 1 8.198 0.03 . 1 . . . . 50 Val H . 15825 1
610 . 1 1 50 50 VAL HA H 1 4.306 0.03 . 1 . . . . 50 Val HA . 15825 1
611 . 1 1 50 50 VAL HB H 1 1.800 0.03 . 1 . . . . 50 Val HB . 15825 1
612 . 1 1 50 50 VAL HG11 H 1 0.575 0.03 . 1 . . . . 50 Val HG1 . 15825 1
613 . 1 1 50 50 VAL HG12 H 1 0.575 0.03 . 1 . . . . 50 Val HG1 . 15825 1
614 . 1 1 50 50 VAL HG13 H 1 0.575 0.03 . 1 . . . . 50 Val HG1 . 15825 1
615 . 1 1 50 50 VAL HG21 H 1 0.442 0.03 . 1 . . . . 50 Val HG2 . 15825 1
616 . 1 1 50 50 VAL HG22 H 1 0.442 0.03 . 1 . . . . 50 Val HG2 . 15825 1
617 . 1 1 50 50 VAL HG23 H 1 0.442 0.03 . 1 . . . . 50 Val HG2 . 15825 1
618 . 1 1 50 50 VAL C C 13 174.957 0.3 . 1 . . . . 50 Val C . 15825 1
619 . 1 1 50 50 VAL CA C 13 62.302 0.3 . 1 . . . . 50 Val CA . 15825 1
620 . 1 1 50 50 VAL CB C 13 33.732 0.3 . 1 . . . . 50 Val CB . 15825 1
621 . 1 1 50 50 VAL CG1 C 13 21.703 0.3 . 1 . . . . 50 Val CG1 . 15825 1
622 . 1 1 50 50 VAL CG2 C 13 20.633 0.3 . 1 . . . . 50 Val CG2 . 15825 1
623 . 1 1 50 50 VAL N N 15 122.664 0.3 . 1 . . . . 50 Val N . 15825 1
624 . 1 1 51 51 LYS H H 1 8.519 0.03 . 1 . . . . 51 Lys H . 15825 1
625 . 1 1 51 51 LYS HA H 1 4.738 0.03 . 1 . . . . 51 Lys HA . 15825 1
626 . 1 1 51 51 LYS HB2 H 1 1.764 0.03 . 2 . . . . 51 Lys HB2 . 15825 1
627 . 1 1 51 51 LYS HB3 H 1 1.601 0.03 . 2 . . . . 51 Lys HB3 . 15825 1
628 . 1 1 51 51 LYS HD2 H 1 1.608 0.03 . 2 . . . . 51 Lys HD2 . 15825 1
629 . 1 1 51 51 LYS HD3 H 1 1.608 0.03 . 2 . . . . 51 Lys HD3 . 15825 1
630 . 1 1 51 51 LYS HE2 H 1 2.876 0.03 . 2 . . . . 51 Lys HE2 . 15825 1
631 . 1 1 51 51 LYS HE3 H 1 2.876 0.03 . 2 . . . . 51 Lys HE3 . 15825 1
632 . 1 1 51 51 LYS HG2 H 1 1.322 0.03 . 2 . . . . 51 Lys HG2 . 15825 1
633 . 1 1 51 51 LYS HG3 H 1 1.321 0.03 . 2 . . . . 51 Lys HG3 . 15825 1
634 . 1 1 51 51 LYS C C 13 174.641 0.3 . 1 . . . . 51 Lys C . 15825 1
635 . 1 1 51 51 LYS CA C 13 54.703 0.3 . 1 . . . . 51 Lys CA . 15825 1
636 . 1 1 51 51 LYS CB C 13 36.567 0.3 . 1 . . . . 51 Lys CB . 15825 1
637 . 1 1 51 51 LYS CD C 13 29.225 0.3 . 1 . . . . 51 Lys CD . 15825 1
638 . 1 1 51 51 LYS CE C 13 42.054 0.3 . 1 . . . . 51 Lys CE . 15825 1
639 . 1 1 51 51 LYS CG C 13 24.712 0.3 . 1 . . . . 51 Lys CG . 15825 1
640 . 1 1 51 51 LYS N N 15 125.245 0.3 . 1 . . . . 51 Lys N . 15825 1
641 . 1 1 52 52 ASP H H 1 8.616 0.03 . 1 . . . . 52 Asp H . 15825 1
642 . 1 1 52 52 ASP HA H 1 4.531 0.03 . 1 . . . . 52 Asp HA . 15825 1
643 . 1 1 52 52 ASP HB2 H 1 2.693 0.03 . 2 . . . . 52 Asp HB2 . 15825 1
644 . 1 1 52 52 ASP HB3 H 1 2.565 0.03 . 2 . . . . 52 Asp HB3 . 15825 1
645 . 1 1 52 52 ASP C C 13 176.280 0.3 . 1 . . . . 52 Asp C . 15825 1
646 . 1 1 52 52 ASP CA C 13 54.865 0.3 . 1 . . . . 52 Asp CA . 15825 1
647 . 1 1 52 52 ASP CB C 13 41.593 0.3 . 1 . . . . 52 Asp CB . 15825 1
648 . 1 1 52 52 ASP N N 15 123.279 0.3 . 1 . . . . 52 Asp N . 15825 1
649 . 1 1 53 53 LEU H H 1 8.159 0.03 . 1 . . . . 53 Leu H . 15825 1
650 . 1 1 53 53 LEU HA H 1 4.120 0.03 . 1 . . . . 53 Leu HA . 15825 1
651 . 1 1 53 53 LEU HB2 H 1 1.568 0.03 . 2 . . . . 53 Leu HB2 . 15825 1
652 . 1 1 53 53 LEU HB3 H 1 1.263 0.03 . 2 . . . . 53 Leu HB3 . 15825 1
653 . 1 1 53 53 LEU HD11 H 1 0.786 0.03 . 1 . . . . 53 Leu HD1 . 15825 1
654 . 1 1 53 53 LEU HD12 H 1 0.786 0.03 . 1 . . . . 53 Leu HD1 . 15825 1
655 . 1 1 53 53 LEU HD13 H 1 0.786 0.03 . 1 . . . . 53 Leu HD1 . 15825 1
656 . 1 1 53 53 LEU HD21 H 1 0.787 0.03 . 1 . . . . 53 Leu HD2 . 15825 1
657 . 1 1 53 53 LEU HD22 H 1 0.787 0.03 . 1 . . . . 53 Leu HD2 . 15825 1
658 . 1 1 53 53 LEU HD23 H 1 0.787 0.03 . 1 . . . . 53 Leu HD2 . 15825 1
659 . 1 1 53 53 LEU HG H 1 1.442 0.03 . 1 . . . . 53 Leu HG . 15825 1
660 . 1 1 53 53 LEU C C 13 177.033 0.3 . 1 . . . . 53 Leu C . 15825 1
661 . 1 1 53 53 LEU CA C 13 56.583 0.3 . 1 . . . . 53 Leu CA . 15825 1
662 . 1 1 53 53 LEU CB C 13 42.573 0.3 . 1 . . . . 53 Leu CB . 15825 1
663 . 1 1 53 53 LEU CD1 C 13 24.551 0.3 . 1 . . . . 53 Leu CD1 . 15825 1
664 . 1 1 53 53 LEU CD2 C 13 24.417 0.3 . 1 . . . . 53 Leu CD2 . 15825 1
665 . 1 1 53 53 LEU CG C 13 27.195 0.3 . 1 . . . . 53 Leu CG . 15825 1
666 . 1 1 53 53 LEU N N 15 124.013 0.3 . 1 . . . . 53 Leu N . 15825 1
667 . 1 1 54 54 LEU H H 1 8.377 0.03 . 1 . . . . 54 Leu H . 15825 1
668 . 1 1 54 54 LEU HA H 1 4.281 0.03 . 1 . . . . 54 Leu HA . 15825 1
669 . 1 1 54 54 LEU HB2 H 1 1.635 0.03 . 2 . . . . 54 Leu HB2 . 15825 1
670 . 1 1 54 54 LEU HB3 H 1 1.482 0.03 . 2 . . . . 54 Leu HB3 . 15825 1
671 . 1 1 54 54 LEU HD11 H 1 0.907 0.03 . 1 . . . . 54 Leu HD1 . 15825 1
672 . 1 1 54 54 LEU HD12 H 1 0.907 0.03 . 1 . . . . 54 Leu HD1 . 15825 1
673 . 1 1 54 54 LEU HD13 H 1 0.907 0.03 . 1 . . . . 54 Leu HD1 . 15825 1
674 . 1 1 54 54 LEU HD21 H 1 0.828 0.03 . 1 . . . . 54 Leu HD2 . 15825 1
675 . 1 1 54 54 LEU HD22 H 1 0.828 0.03 . 1 . . . . 54 Leu HD2 . 15825 1
676 . 1 1 54 54 LEU HD23 H 1 0.828 0.03 . 1 . . . . 54 Leu HD2 . 15825 1
677 . 1 1 54 54 LEU HG H 1 1.557 0.03 . 1 . . . . 54 Leu HG . 15825 1
678 . 1 1 54 54 LEU C C 13 177.431 0.3 . 1 . . . . 54 Leu C . 15825 1
679 . 1 1 54 54 LEU CA C 13 55.340 0.3 . 1 . . . . 54 Leu CA . 15825 1
680 . 1 1 54 54 LEU CB C 13 41.963 0.3 . 1 . . . . 54 Leu CB . 15825 1
681 . 1 1 54 54 LEU CD1 C 13 24.957 0.3 . 1 . . . . 54 Leu CD1 . 15825 1
682 . 1 1 54 54 LEU CD2 C 13 23.350 0.3 . 1 . . . . 54 Leu CD2 . 15825 1
683 . 1 1 54 54 LEU CG C 13 27.115 0.3 . 1 . . . . 54 Leu CG . 15825 1
684 . 1 1 54 54 LEU N N 15 121.832 0.3 . 1 . . . . 54 Leu N . 15825 1
685 . 1 1 55 55 GLU H H 1 8.097 0.03 . 1 . . . . 55 Glu H . 15825 1
686 . 1 1 55 55 GLU HA H 1 4.130 0.03 . 1 . . . . 55 Glu HA . 15825 1
687 . 1 1 55 55 GLU HB2 H 1 1.925 0.03 . 2 . . . . 55 Glu HB2 . 15825 1
688 . 1 1 55 55 GLU HB3 H 1 1.925 0.03 . 2 . . . . 55 Glu HB3 . 15825 1
689 . 1 1 55 55 GLU HG2 H 1 2.207 0.03 . 2 . . . . 55 Glu HG2 . 15825 1
690 . 1 1 55 55 GLU HG3 H 1 2.128 0.03 . 2 . . . . 55 Glu HG3 . 15825 1
691 . 1 1 55 55 GLU C C 13 176.540 0.3 . 1 . . . . 55 Glu C . 15825 1
692 . 1 1 55 55 GLU CA C 13 56.905 0.3 . 1 . . . . 55 Glu CA . 15825 1
693 . 1 1 55 55 GLU CB C 13 30.265 0.3 . 1 . . . . 55 Glu CB . 15825 1
694 . 1 1 55 55 GLU CG C 13 36.309 0.3 . 1 . . . . 55 Glu CG . 15825 1
695 . 1 1 55 55 GLU N N 15 120.539 0.3 . 1 . . . . 55 Glu N . 15825 1
stop_
save_