Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 51729
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name rsNTX
_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 $chem_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
7 '3D HNCACB' . . . 51729 1
8 '3D HN(CO)CACB' . . . 51729 1
9 '3D HN(CO)CA' . . . 51729 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 51729 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 GLY HA2 H 1 3.84 0.000 . 2 . . . . . 0 GLY HA2 . 51729 1
2 . 1 . 1 1 1 GLY HA3 H 1 3.84 0.000 . 2 . . . . . 0 GLY HA3 . 51729 1
3 . 1 . 1 1 1 GLY C C 13 169.3 0.000 . 1 . . . . . 0 GLY C . 51729 1
4 . 1 . 1 1 1 GLY CA C 13 43.51 0.012 . 1 . . . . . 0 GLY CA . 51729 1
5 . 1 . 1 2 2 LEU H H 1 8.426 0.006 . 1 . . . . . 1 LEU H . 51729 1
6 . 1 . 1 2 2 LEU HA H 1 4.489 0.011 . 1 . . . . . 1 LEU HA . 51729 1
7 . 1 . 1 2 2 LEU HB2 H 1 1.351 0.004 . 2 . . . . . 1 LEU HB2 . 51729 1
8 . 1 . 1 2 2 LEU HB3 H 1 1.351 0.004 . 2 . . . . . 1 LEU HB3 . 51729 1
9 . 1 . 1 2 2 LEU HG H 1 1.444 0.002 . 1 . . . . . 1 LEU HG . 51729 1
10 . 1 . 1 2 2 LEU HD11 H 1 0.618 0.003 . 2 . . . . . 1 LEU MD1 . 51729 1
11 . 1 . 1 2 2 LEU HD12 H 1 0.618 0.003 . 2 . . . . . 1 LEU MD1 . 51729 1
12 . 1 . 1 2 2 LEU HD13 H 1 0.618 0.003 . 2 . . . . . 1 LEU MD1 . 51729 1
13 . 1 . 1 2 2 LEU HD21 H 1 0.723 0.002 . 2 . . . . . 1 LEU MD2 . 51729 1
14 . 1 . 1 2 2 LEU HD22 H 1 0.723 0.002 . 2 . . . . . 1 LEU MD2 . 51729 1
15 . 1 . 1 2 2 LEU HD23 H 1 0.723 0.002 . 2 . . . . . 1 LEU MD2 . 51729 1
16 . 1 . 1 2 2 LEU C C 13 174.7 0.000 . 1 . . . . . 1 LEU C . 51729 1
17 . 1 . 1 2 2 LEU CA C 13 55.25 0.036 . 1 . . . . . 1 LEU CA . 51729 1
18 . 1 . 1 2 2 LEU CB C 13 44.89 0.023 . 1 . . . . . 1 LEU CB . 51729 1
19 . 1 . 1 2 2 LEU CG C 13 26.64 0.025 . 1 . . . . . 1 LEU CG . 51729 1
20 . 1 . 1 2 2 LEU CD1 C 13 26.50 0.025 . 2 . . . . . 1 LEU CD1 . 51729 1
21 . 1 . 1 2 2 LEU CD2 C 13 22.58 0.038 . 2 . . . . . 1 LEU CD2 . 51729 1
22 . 1 . 1 2 2 LEU N N 15 124.4 0.070 . 1 . . . . . 1 LEU N . 51729 1
23 . 1 . 1 3 3 GLU H H 1 8.423 0.006 . 1 . . . . . 2 GLU H . 51729 1
24 . 1 . 1 3 3 GLU HA H 1 5.076 0.007 . 1 . . . . . 2 GLU HA . 51729 1
25 . 1 . 1 3 3 GLU HB2 H 1 2.064 0.009 . 2 . . . . . 2 GLU HB2 . 51729 1
26 . 1 . 1 3 3 GLU HB3 H 1 2.064 0.009 . 2 . . . . . 2 GLU HB3 . 51729 1
27 . 1 . 1 3 3 GLU HG2 H 1 1.796 0.005 . 2 . . . . . 2 GLU HG2 . 51729 1
28 . 1 . 1 3 3 GLU HG3 H 1 1.796 0.005 . 2 . . . . . 2 GLU HG3 . 51729 1
29 . 1 . 1 3 3 GLU C C 13 175.2 0.000 . 1 . . . . . 2 GLU C . 51729 1
30 . 1 . 1 3 3 GLU CA C 13 54.58 0.018 . 1 . . . . . 2 GLU CA . 51729 1
31 . 1 . 1 3 3 GLU CB C 13 32.39 0.097 . 1 . . . . . 2 GLU CB . 51729 1
32 . 1 . 1 3 3 GLU CG C 13 36.71 0.035 . 1 . . . . . 2 GLU CG . 51729 1
33 . 1 . 1 3 3 GLU N N 15 126.0 0.052 . 1 . . . . . 2 GLU N . 51729 1
34 . 1 . 1 4 4 CYS H H 1 8.456 0.007 . 1 . . . . . 3 CYS H . 51729 1
35 . 1 . 1 4 4 CYS HA H 1 5.089 0.115 . 1 . . . . . 3 CYS HA . 51729 1
36 . 1 . 1 4 4 CYS HB2 H 1 2.951 0.006 . 2 . . . . . 3 CYS HB2 . 51729 1
37 . 1 . 1 4 4 CYS HB3 H 1 2.313 0.011 . 2 . . . . . 3 CYS HB3 . 51729 1
38 . 1 . 1 4 4 CYS C C 13 175.7 0.000 . 1 . . . . . 3 CYS C . 51729 1
39 . 1 . 1 4 4 CYS CA C 13 51.41 0.025 . 1 . . . . . 3 CYS CA . 51729 1
40 . 1 . 1 4 4 CYS CB C 13 41.48 0.028 . 1 . . . . . 3 CYS CB . 51729 1
41 . 1 . 1 4 4 CYS N N 15 120.6 0.080 . 1 . . . . . 3 CYS N . 51729 1
42 . 1 . 1 5 5 HIS H H 1 9.512 0.005 . 1 . . . . . 4 HIS H . 51729 1
43 . 1 . 1 5 5 HIS HA H 1 5.138 0.007 . 1 . . . . . 4 HIS HA . 51729 1
44 . 1 . 1 5 5 HIS HB2 H 1 3.533 0.008 . 1 . . . . . 4 HIS HB2 . 51729 1
45 . 1 . 1 5 5 HIS HB3 H 1 2.682 0.007 . 1 . . . . . 4 HIS HB3 . 51729 1
46 . 1 . 1 5 5 HIS HD2 H 1 6.567 0.012 . 1 . . . . . 4 HIS HD2 . 51729 1
47 . 1 . 1 5 5 HIS HE1 H 1 7.947 0 . 1 . . . . . 4 HIS HE1 . 51729 1
48 . 1 . 1 5 5 HIS C C 13 176.8 0.000 . 1 . . . . . 4 HIS C . 51729 1
49 . 1 . 1 5 5 HIS CA C 13 58.36 0.019 . 1 . . . . . 4 HIS CA . 51729 1
50 . 1 . 1 5 5 HIS CB C 13 28.71 0.198 . 1 . . . . . 4 HIS CB . 51729 1
51 . 1 . 1 5 5 HIS N N 15 120.6 0.056 . 1 . . . . . 4 HIS N . 51729 1
52 . 1 . 1 6 6 ASN HA H 1 4.82 0.018 . 1 . . . . . 5 ASN HA . 51729 1
53 . 1 . 1 6 6 ASN HB2 H 1 3.11 0.008 . 2 . . . . . 5 ASN HB2 . 51729 1
54 . 1 . 1 6 6 ASN HB3 H 1 2.21 0.012 . 2 . . . . . 5 ASN HB3 . 51729 1
55 . 1 . 1 6 6 ASN HD21 H 1 7.62 0.010 . 2 . . . . . 5 ASN HD21 . 51729 1
56 . 1 . 1 6 6 ASN HD22 H 1 6.90 0.011 . 2 . . . . . 5 ASN HD22 . 51729 1
57 . 1 . 1 6 6 ASN C C 13 174.8 0.000 . 1 . . . . . 5 ASN C . 51729 1
58 . 1 . 1 6 6 ASN CA C 13 51.9 0.034 . 1 . . . . . 5 ASN CA . 51729 1
59 . 1 . 1 6 6 ASN CB C 13 38.69 0.143 . 1 . . . . . 5 ASN CB . 51729 1
60 . 1 . 1 6 6 ASN N N 15 116.6 0.072 . 1 . . . . . 5 ASN N . 51729 1
61 . 1 . 1 6 6 ASN ND2 N 15 111.9 0.042 . 1 . . . . . 5 ASN ND2 . 51729 1
62 . 1 . 1 7 7 GLN H H 1 9.135 0.057 . 1 . . . . . 6 GLN H . 51729 1
63 . 1 . 1 7 7 GLN HA H 1 4.581 0.009 . 1 . . . . . 6 GLN HA . 51729 1
64 . 1 . 1 7 7 GLN HB2 H 1 2.702 0.001 . 2 . . . . . 6 GLN HB2 . 51729 1
65 . 1 . 1 7 7 GLN HB3 H 1 2.562 0.020 . 2 . . . . . 6 GLN HB3 . 51729 1
66 . 1 . 1 7 7 GLN HG2 H 1 2.072 0.000 . 2 . . . . . 6 GLN HG2 . 51729 1
67 . 1 . 1 7 7 GLN HG3 H 1 2.015 0.035 . 2 . . . . . 6 GLN HG3 . 51729 1
68 . 1 . 1 7 7 GLN HE21 H 1 7.676 0.005 . 2 . . . . . 6 GLN HE21 . 51729 1
69 . 1 . 1 7 7 GLN HE22 H 1 6.974 0.005 . 2 . . . . . 6 GLN HE22 . 51729 1
70 . 1 . 1 7 7 GLN C C 13 175.2 0.000 . 1 . . . . . 6 GLN C . 51729 1
71 . 1 . 1 7 7 GLN CA C 13 55.99 0.080 . 1 . . . . . 6 GLN CA . 51729 1
72 . 1 . 1 7 7 GLN CB C 13 26.98 0.032 . 1 . . . . . 6 GLN CB . 51729 1
73 . 1 . 1 7 7 GLN CG C 13 33.12 0.024 . 1 . . . . . 6 GLN CG . 51729 1
74 . 1 . 1 7 7 GLN N N 15 125.8 0.041 . 1 . . . . . 6 GLN N . 51729 1
75 . 1 . 1 7 7 GLN NE2 N 15 112.3 0.089 . 1 . . . . . 6 GLN NE2 . 51729 1
76 . 1 . 1 8 8 GLN H H 1 8.474 0.009 . 1 . . . . . 7 GLN H . 51729 1
77 . 1 . 1 8 8 GLN HA H 1 4.581 0.009 . 1 . . . . . 7 GLN HA . 51729 1
78 . 1 . 1 8 8 GLN HB2 H 1 2.282 0.012 . 2 . . . . . 7 GLN HB2 . 51729 1
79 . 1 . 1 8 8 GLN HB3 H 1 2.020 0.008 . 2 . . . . . 7 GLN HB3 . 51729 1
80 . 1 . 1 8 8 GLN HG2 H 1 2.613 0.028 . 2 . . . . . 7 GLN HG2 . 51729 1
81 . 1 . 1 8 8 GLN HG3 H 1 2.613 0.028 . 2 . . . . . 7 GLN HG3 . 51729 1
82 . 1 . 1 8 8 GLN HE21 H 1 7.812 0.008 . 2 . . . . . 7 GLN HE21 . 51729 1
83 . 1 . 1 8 8 GLN HE22 H 1 6.482 0.013 . 2 . . . . . 7 GLN HE22 . 51729 1
84 . 1 . 1 8 8 GLN C C 13 176.5 0.000 . 1 . . . . . 7 GLN C . 51729 1
85 . 1 . 1 8 8 GLN CA C 13 54.86 0.018 . 1 . . . . . 7 GLN CA . 51729 1
86 . 1 . 1 8 8 GLN CB C 13 30.61 0.007 . 1 . . . . . 7 GLN CB . 51729 1
87 . 1 . 1 8 8 GLN CG C 13 34.44 0.024 . 1 . . . . . 7 GLN CG . 51729 1
88 . 1 . 1 8 8 GLN N N 15 120.9 0.145 . 1 . . . . . 7 GLN N . 51729 1
89 . 1 . 1 8 8 GLN NE2 N 15 109.4 0.033 . 1 . . . . . 7 GLN NE2 . 51729 1
90 . 1 . 1 9 9 SER H H 1 9.040 0.009 . 1 . . . . . 8 SER H . 51729 1
91 . 1 . 1 9 9 SER HA H 1 4.776 0.039 . 1 . . . . . 8 SER HA . 51729 1
92 . 1 . 1 9 9 SER HB2 H 1 4.278 0.078 . 2 . . . . . 8 SER HB2 . 51729 1
93 . 1 . 1 9 9 SER HB3 H 1 4.278 0.078 . 2 . . . . . 8 SER HB3 . 51729 1
94 . 1 . 1 9 9 SER CA C 13 59.83 0.073 . 1 . . . . . 8 SER CA . 51729 1
95 . 1 . 1 9 9 SER CB C 13 62.60 0.000 . 1 . . . . . 8 SER CB . 51729 1
96 . 1 . 1 9 9 SER N N 15 114.5 0.055 . 1 . . . . . 8 SER N . 51729 1
97 . 1 . 1 10 10 SER HA H 1 4.706 0.000 . 1 . . . . . 9 SER HA . 51729 1
98 . 1 . 1 10 10 SER HB2 H 1 4.027 0.000 . 2 . . . . . 9 SER HB2 . 51729 1
99 . 1 . 1 10 10 SER HB3 H 1 4.027 0.000 . 2 . . . . . 9 SER HB3 . 51729 1
100 . 1 . 1 10 10 SER C C 13 174.1 0.000 . 1 . . . . . 9 SER C . 51729 1
101 . 1 . 1 10 10 SER CA C 13 57.78 0.000 . 1 . . . . . 9 SER CA . 51729 1
102 . 1 . 1 10 10 SER CB C 13 62.74 0.000 . 1 . . . . . 9 SER CB . 51729 1
103 . 1 . 1 11 11 GLN H H 1 7.976 0.005 . 1 . . . . . 10 GLN H . 51729 1
104 . 1 . 1 11 11 GLN HA H 1 4.294 0.008 . 1 . . . . . 10 GLN HA . 51729 1
105 . 1 . 1 11 11 GLN HB2 H 1 2.339 0.007 . 2 . . . . . 10 GLN HB2 . 51729 1
106 . 1 . 1 11 11 GLN HB3 H 1 2.102 0.004 . 2 . . . . . 10 GLN HB3 . 51729 1
107 . 1 . 1 11 11 GLN HG2 H 1 2.526 0.011 . 2 . . . . . 10 GLN HG2 . 51729 1
108 . 1 . 1 11 11 GLN HG3 H 1 2.526 0.011 . 2 . . . . . 10 GLN HG3 . 51729 1
109 . 1 . 1 11 11 GLN HE21 H 1 7.615 0.010 . 2 . . . . . 10 GLN HE21 . 51729 1
110 . 1 . 1 11 11 GLN HE22 H 1 6.929 0.007 . 2 . . . . . 10 GLN HE22 . 51729 1
111 . 1 . 1 11 11 GLN C C 13 175.8 0.000 . 1 . . . . . 10 GLN C . 51729 1
112 . 1 . 1 11 11 GLN CA C 13 55.96 0.026 . 1 . . . . . 10 GLN CA . 51729 1
113 . 1 . 1 11 11 GLN CB C 13 29.81 0.026 . 1 . . . . . 10 GLN CB . 51729 1
114 . 1 . 1 11 11 GLN CG C 13 34.62 0.065 . 1 . . . . . 10 GLN CG . 51729 1
115 . 1 . 1 11 11 GLN N N 15 120.0 0.049 . 1 . . . . . 10 GLN N . 51729 1
116 . 1 . 1 11 11 GLN NE2 N 15 112.3 0.009 . 1 . . . . . 10 GLN NE2 . 51729 1
117 . 1 . 1 12 12 THR H H 1 8.347 0.005 . 1 . . . . . 11 THR H . 51729 1
118 . 1 . 1 12 12 THR HA H 1 4.308 0.006 . 1 . . . . . 11 THR HA . 51729 1
119 . 1 . 1 12 12 THR HB H 1 4.015 0.010 . 1 . . . . . 11 THR HB . 51729 1
120 . 1 . 1 12 12 THR HG21 H 1 1.321 0.002 . 1 . . . . . 11 THR MG . 51729 1
121 . 1 . 1 12 12 THR HG22 H 1 1.321 0.002 . 1 . . . . . 11 THR MG . 51729 1
122 . 1 . 1 12 12 THR HG23 H 1 1.321 0.002 . 1 . . . . . 11 THR MG . 51729 1
123 . 1 . 1 12 12 THR CA C 13 61.54 0.000 . 1 . . . . . 11 THR CA . 51729 1
124 . 1 . 1 12 12 THR CB C 13 69.99 0.077 . 1 . . . . . 11 THR CB . 51729 1
125 . 1 . 1 12 12 THR CG2 C 13 21.28 0.112 . 1 . . . . . 11 THR CG2 . 51729 1
126 . 1 . 1 12 12 THR N N 15 118.1 0.060 . 1 . . . . . 11 THR N . 51729 1
127 . 1 . 1 13 13 PRO HA H 1 3.877 0.007 . 1 . . . . . 12 PRO HA . 51729 1
128 . 1 . 1 13 13 PRO HB2 H 1 1.997 0.012 . 2 . . . . . 12 PRO HB2 . 51729 1
129 . 1 . 1 13 13 PRO HB3 H 1 1.954 0.000 . 2 . . . . . 12 PRO HB3 . 51729 1
130 . 1 . 1 13 13 PRO HG2 H 1 2.112 0.006 . 2 . . . . . 12 PRO HG2 . 51729 1
131 . 1 . 1 13 13 PRO HG3 H 1 1.837 0.004 . 2 . . . . . 12 PRO HG3 . 51729 1
132 . 1 . 1 13 13 PRO HD2 H 1 4.030 0.005 . 2 . . . . . 12 PRO HD2 . 51729 1
133 . 1 . 1 13 13 PRO HD3 H 1 3.665 0.000 . 2 . . . . . 12 PRO HD3 . 51729 1
134 . 1 . 1 13 13 PRO C C 13 176.2 0.000 . 1 . . . . . 12 PRO C . 51729 1
135 . 1 . 1 13 13 PRO CA C 13 64.21 0.016 . 1 . . . . . 12 PRO CA . 51729 1
136 . 1 . 1 13 13 PRO CB C 13 32.22 0.093 . 1 . . . . . 12 PRO CB . 51729 1
137 . 1 . 1 13 13 PRO CG C 13 28.02 0.067 . 1 . . . . . 12 PRO CG . 51729 1
138 . 1 . 1 13 13 PRO CD C 13 51.54 0.000 . 1 . . . . . 12 PRO CD . 51729 1
139 . 1 . 1 14 14 THR H H 1 8.020 0.006 . 1 . . . . . 13 THR H . 51729 1
140 . 1 . 1 14 14 THR HA H 1 4.782 0.009 . 1 . . . . . 13 THR HA . 51729 1
141 . 1 . 1 14 14 THR HB H 1 4.561 0.005 . 1 . . . . . 13 THR HB . 51729 1
142 . 1 . 1 14 14 THR HG21 H 1 1.247 0.013 . 1 . . . . . 13 THR MG . 51729 1
143 . 1 . 1 14 14 THR HG22 H 1 1.247 0.013 . 1 . . . . . 13 THR MG . 51729 1
144 . 1 . 1 14 14 THR HG23 H 1 1.247 0.013 . 1 . . . . . 13 THR MG . 51729 1
145 . 1 . 1 14 14 THR C C 13 175.2 0.000 . 1 . . . . . 13 THR C . 51729 1
146 . 1 . 1 14 14 THR CA C 13 60.42 0.075 . 1 . . . . . 13 THR CA . 51729 1
147 . 1 . 1 14 14 THR CB C 13 72.94 0.082 . 1 . . . . . 13 THR CB . 51729 1
148 . 1 . 1 14 14 THR CG2 C 13 21.51 0.037 . 1 . . . . . 13 THR CG2 . 51729 1
149 . 1 . 1 14 14 THR N N 15 114.6 0.006 . 1 . . . . . 13 THR N . 51729 1
150 . 1 . 1 15 15 THR H H 1 8.575 0.008 . 1 . . . . . 14 THR H . 51729 1
151 . 1 . 1 15 15 THR HA H 1 5.088 0.010 . 1 . . . . . 14 THR HA . 51729 1
152 . 1 . 1 15 15 THR HB H 1 3.785 0.006 . 1 . . . . . 14 THR HB . 51729 1
153 . 1 . 1 15 15 THR HG21 H 1 0.468 0.005 . 1 . . . . . 14 THR MG . 51729 1
154 . 1 . 1 15 15 THR HG22 H 1 0.468 0.005 . 1 . . . . . 14 THR MG . 51729 1
155 . 1 . 1 15 15 THR HG23 H 1 0.468 0.005 . 1 . . . . . 14 THR MG . 51729 1
156 . 1 . 1 15 15 THR C C 13 173.2 0.000 . 1 . . . . . 14 THR C . 51729 1
157 . 1 . 1 15 15 THR CA C 13 59.81 0.033 . 1 . . . . . 14 THR CA . 51729 1
158 . 1 . 1 15 15 THR CB C 13 72.22 0.106 . 1 . . . . . 14 THR CB . 51729 1
159 . 1 . 1 15 15 THR CG2 C 13 21.17 0.056 . 1 . . . . . 14 THR CG2 . 51729 1
160 . 1 . 1 15 15 THR N N 15 112.1 0.093 . 1 . . . . . 14 THR N . 51729 1
161 . 1 . 1 16 16 THR H H 1 8.724 0.006 . 1 . . . . . 15 THR H . 51729 1
162 . 1 . 1 16 16 THR HA H 1 4.625 0.014 . 1 . . . . . 15 THR HA . 51729 1
163 . 1 . 1 16 16 THR HB H 1 3.868 0.006 . 1 . . . . . 15 THR HB . 51729 1
164 . 1 . 1 16 16 THR HG21 H 1 1.036 0.002 . 1 . . . . . 15 THR MG . 51729 1
165 . 1 . 1 16 16 THR HG22 H 1 1.036 0.002 . 1 . . . . . 15 THR MG . 51729 1
166 . 1 . 1 16 16 THR HG23 H 1 1.036 0.002 . 1 . . . . . 15 THR MG . 51729 1
167 . 1 . 1 16 16 THR C C 13 171.7 0.000 . 1 . . . . . 15 THR C . 51729 1
168 . 1 . 1 16 16 THR CA C 13 59.73 0.027 . 1 . . . . . 15 THR CA . 51729 1
169 . 1 . 1 16 16 THR CB C 13 71.22 0.075 . 1 . . . . . 15 THR CB . 51729 1
170 . 1 . 1 16 16 THR CG2 C 13 19.16 0.057 . 1 . . . . . 15 THR CG2 . 51729 1
171 . 1 . 1 16 16 THR N N 15 114.1 0.047 . 1 . . . . . 15 THR N . 51729 1
172 . 1 . 1 17 17 GLY H H 1 8.251 0.006 . 1 . . . . . 16 GLY H . 51729 1
173 . 1 . 1 17 17 GLY HA2 H 1 4.553 0.004 . 2 . . . . . 16 GLY HA2 . 51729 1
174 . 1 . 1 17 17 GLY HA3 H 1 3.620 0.004 . 2 . . . . . 16 GLY HA3 . 51729 1
175 . 1 . 1 17 17 GLY C C 13 174.6 0.000 . 1 . . . . . 16 GLY C . 51729 1
176 . 1 . 1 17 17 GLY CA C 13 45.29 0.050 . 1 . . . . . 16 GLY CA . 51729 1
177 . 1 . 1 17 17 GLY N N 15 113.3 0.058 . 1 . . . . . 16 GLY N . 51729 1
178 . 1 . 1 18 18 CYS H H 1 8.733 0.070 . 1 . . . . . 17 CYS H . 51729 1
179 . 1 . 1 18 18 CYS HA H 1 4.984 0.004 . 1 . . . . . 17 CYS HA . 51729 1
180 . 1 . 1 18 18 CYS HB2 H 1 2.814 0.002 . 2 . . . . . 17 CYS HB2 . 51729 1
181 . 1 . 1 18 18 CYS HB3 H 1 3.634 0.008 . 2 . . . . . 17 CYS HB3 . 51729 1
182 . 1 . 1 18 18 CYS C C 13 176.0 0.000 . 1 . . . . . 17 CYS C . 51729 1
183 . 1 . 1 18 18 CYS CA C 13 52.97 0.192 . 1 . . . . . 17 CYS CA . 51729 1
184 . 1 . 1 18 18 CYS CB C 13 38.05 0.106 . 1 . . . . . 17 CYS CB . 51729 1
185 . 1 . 1 18 18 CYS N N 15 124.0 0.044 . 1 . . . . . 17 CYS N . 51729 1
186 . 1 . 1 19 19 SER H H 1 9.202 0.007 . 1 . . . . . 18 SER H . 51729 1
187 . 1 . 1 19 19 SER HA H 1 4.785 0.000 . 1 . . . . . 18 SER HA . 51729 1
188 . 1 . 1 19 19 SER HB2 H 1 3.999 0.010 . 2 . . . . . 18 SER HB2 . 51729 1
189 . 1 . 1 19 19 SER HB3 H 1 3.999 0.010 . 2 . . . . . 18 SER HB3 . 51729 1
190 . 1 . 1 19 19 SER C C 13 175.3 0.000 . 1 . . . . . 18 SER C . 51729 1
191 . 1 . 1 19 19 SER CA C 13 58.91 0.002 . 1 . . . . . 18 SER CA . 51729 1
192 . 1 . 1 19 19 SER CB C 13 64.38 0.020 . 1 . . . . . 18 SER CB . 51729 1
193 . 1 . 1 19 19 SER N N 15 119.1 0.035 . 1 . . . . . 18 SER N . 51729 1
194 . 1 . 1 20 20 GLY H H 1 9.054 0.007 . 1 . . . . . 19 GLY H . 51729 1
195 . 1 . 1 20 20 GLY HA2 H 1 4.124 0.007 . 2 . . . . . 19 GLY HA2 . 51729 1
196 . 1 . 1 20 20 GLY HA3 H 1 3.843 0.009 . 2 . . . . . 19 GLY HA3 . 51729 1
197 . 1 . 1 20 20 GLY C C 13 175.4 0.000 . 1 . . . . . 19 GLY C . 51729 1
198 . 1 . 1 20 20 GLY CA C 13 46.58 0.054 . 1 . . . . . 19 GLY CA . 51729 1
199 . 1 . 1 20 20 GLY N N 15 111.6 0.045 . 1 . . . . . 19 GLY N . 51729 1
200 . 1 . 1 21 21 GLY H H 1 8.631 0.006 . 1 . . . . . 20 GLY H . 51729 1
201 . 1 . 1 21 21 GLY HA2 H 1 4.032 0.007 . 2 . . . . . 20 GLY HA2 . 51729 1
202 . 1 . 1 21 21 GLY HA3 H 1 3.860 0.008 . 2 . . . . . 20 GLY HA3 . 51729 1
203 . 1 . 1 21 21 GLY C C 13 174.6 0.000 . 1 . . . . . 20 GLY C . 51729 1
204 . 1 . 1 21 21 GLY CA C 13 45.02 0.097 . 1 . . . . . 20 GLY CA . 51729 1
205 . 1 . 1 21 21 GLY N N 15 110.5 0.051 . 1 . . . . . 20 GLY N . 51729 1
206 . 1 . 1 22 22 GLU H H 1 8.266 0.006 . 1 . . . . . 21 GLU H . 51729 1
207 . 1 . 1 22 22 GLU HA H 1 4.196 0.009 . 1 . . . . . 21 GLU HA . 51729 1
208 . 1 . 1 22 22 GLU HB2 H 1 2.233 0.006 . 2 . . . . . 21 GLU HB2 . 51729 1
209 . 1 . 1 22 22 GLU HB3 H 1 2.047 0.000 . 2 . . . . . 21 GLU HB3 . 51729 1
210 . 1 . 1 22 22 GLU HG2 H 1 2.496 0.000 . 2 . . . . . 21 GLU HG2 . 51729 1
211 . 1 . 1 22 22 GLU HG3 H 1 2.496 0.000 . 2 . . . . . 21 GLU HG3 . 51729 1
212 . 1 . 1 22 22 GLU C C 13 176.4 0.000 . 1 . . . . . 21 GLU C . 51729 1
213 . 1 . 1 22 22 GLU CA C 13 57.92 0.040 . 1 . . . . . 21 GLU CA . 51729 1
214 . 1 . 1 22 22 GLU CB C 13 30.47 0.033 . 1 . . . . . 21 GLU CB . 51729 1
215 . 1 . 1 22 22 GLU CG C 13 37.04 0.000 . 1 . . . . . 21 GLU CG . 51729 1
216 . 1 . 1 22 22 GLU N N 15 121.2 0.051 . 1 . . . . . 21 GLU N . 51729 1
217 . 1 . 1 23 23 THR H H 1 8.252 0.007 . 1 . . . . . 22 THR H . 51729 1
218 . 1 . 1 23 23 THR HA H 1 4.445 0.007 . 1 . . . . . 22 THR HA . 51729 1
219 . 1 . 1 23 23 THR HB H 1 3.603 0.000 . 1 . . . . . 22 THR HB . 51729 1
220 . 1 . 1 23 23 THR HG21 H 1 1.234 0.003 . 1 . . . . . 22 THR MG . 51729 1
221 . 1 . 1 23 23 THR HG22 H 1 1.234 0.003 . 1 . . . . . 22 THR MG . 51729 1
222 . 1 . 1 23 23 THR HG23 H 1 1.234 0.003 . 1 . . . . . 22 THR MG . 51729 1
223 . 1 . 1 23 23 THR C C 13 174.2 0.000 . 1 . . . . . 22 THR C . 51729 1
224 . 1 . 1 23 23 THR CA C 13 61.31 0.049 . 1 . . . . . 22 THR CA . 51729 1
225 . 1 . 1 23 23 THR CB C 13 70.52 0.079 . 1 . . . . . 22 THR CB . 51729 1
226 . 1 . 1 23 23 THR CG2 C 13 21.69 0.000 . 1 . . . . . 22 THR CG2 . 51729 1
227 . 1 . 1 23 23 THR N N 15 113.2 0.062 . 1 . . . . . 22 THR N . 51729 1
228 . 1 . 1 24 24 ASN H H 1 8.670 0.006 . 1 . . . . . 23 ASN H . 51729 1
229 . 1 . 1 24 24 ASN HA H 1 5.675 0.001 . 1 . . . . . 23 ASN HA . 51729 1
230 . 1 . 1 24 24 ASN HB2 H 1 2.690 0.001 . 2 . . . . . 23 ASN HB2 . 51729 1
231 . 1 . 1 24 24 ASN HB3 H 1 2.324 0.010 . 2 . . . . . 23 ASN HB3 . 51729 1
232 . 1 . 1 24 24 ASN HD21 H 1 7.125 0.005 . 2 . . . . . 23 ASN HD21 . 51729 1
233 . 1 . 1 24 24 ASN HD22 H 1 6.783 0.008 . 2 . . . . . 23 ASN HD22 . 51729 1
234 . 1 . 1 24 24 ASN C C 13 174.3 0.000 . 1 . . . . . 23 ASN C . 51729 1
235 . 1 . 1 24 24 ASN CA C 13 52.57 0.083 . 1 . . . . . 23 ASN CA . 51729 1
236 . 1 . 1 24 24 ASN CB C 13 44.83 0.018 . 1 . . . . . 23 ASN CB . 51729 1
237 . 1 . 1 24 24 ASN N N 15 120.6 0.053 . 1 . . . . . 23 ASN N . 51729 1
238 . 1 . 1 24 24 ASN ND2 N 15 111.6 0.048 . 1 . . . . . 23 ASN ND2 . 51729 1
239 . 1 . 1 25 25 CYS H H 1 9.087 0.006 . 1 . . . . . 24 CYS H . 51729 1
240 . 1 . 1 25 25 CYS HA H 1 5.693 0.012 . 1 . . . . . 24 CYS HA . 51729 1
241 . 1 . 1 25 25 CYS HB2 H 1 3.337 0.000 . 2 . . . . . 24 CYS HB2 . 51729 1
242 . 1 . 1 25 25 CYS HB3 H 1 2.768 0.004 . 2 . . . . . 24 CYS HB3 . 51729 1
243 . 1 . 1 25 25 CYS C C 13 175.2 0.000 . 1 . . . . . 24 CYS C . 51729 1
244 . 1 . 1 25 25 CYS CA C 13 52.76 0.119 . 1 . . . . . 24 CYS CA . 51729 1
245 . 1 . 1 25 25 CYS CB C 13 40.00 0.045 . 1 . . . . . 24 CYS CB . 51729 1
246 . 1 . 1 25 25 CYS N N 15 115.6 0.029 . 1 . . . . . 24 CYS N . 51729 1
247 . 1 . 1 26 26 TYR H H 1 8.882 0.006 . 1 . . . . . 25 TYR H . 51729 1
248 . 1 . 1 26 26 TYR HA H 1 6.236 0.010 . 1 . . . . . 25 TYR HA . 51729 1
249 . 1 . 1 26 26 TYR HB2 H 1 3.906 0.006 . 2 . . . . . 25 TYR HB2 . 51729 1
250 . 1 . 1 26 26 TYR HB3 H 1 2.840 0.011 . 2 . . . . . 25 TYR HB3 . 51729 1
251 . 1 . 1 26 26 TYR C C 13 175.8 0.000 . 1 . . . . . 25 TYR C . 51729 1
252 . 1 . 1 26 26 TYR CA C 13 56.46 0.033 . 1 . . . . . 25 TYR CA . 51729 1
253 . 1 . 1 26 26 TYR CB C 13 42.26 0.039 . 1 . . . . . 25 TYR CB . 51729 1
254 . 1 . 1 26 26 TYR N N 15 113.5 0.043 . 1 . . . . . 25 TYR N . 51729 1
255 . 1 . 1 27 27 LYS H H 1 8.856 0.006 . 1 . . . . . 26 LYS H . 51729 1
256 . 1 . 1 27 27 LYS HA H 1 5.135 0.019 . 1 . . . . . 26 LYS HA . 51729 1
257 . 1 . 1 27 27 LYS HB2 H 1 1.972 0.072 . 2 . . . . . 26 LYS HB2 . 51729 1
258 . 1 . 1 27 27 LYS HB3 H 1 1.972 0.072 . 2 . . . . . 26 LYS HB3 . 51729 1
259 . 1 . 1 27 27 LYS HG2 H 1 1.298 0.000 . 2 . . . . . 26 LYS HG2 . 51729 1
260 . 1 . 1 27 27 LYS HG3 H 1 1.229 0.000 . 2 . . . . . 26 LYS HG3 . 51729 1
261 . 1 . 1 27 27 LYS HD2 H 1 1.675 0.000 . 2 . . . . . 26 LYS HD2 . 51729 1
262 . 1 . 1 27 27 LYS HD3 H 1 1.675 0.000 . 2 . . . . . 26 LYS HD3 . 51729 1
263 . 1 . 1 27 27 LYS C C 13 174.4 0.000 . 1 . . . . . 26 LYS C . 51729 1
264 . 1 . 1 27 27 LYS CA C 13 56.33 0.088 . 1 . . . . . 26 LYS CA . 51729 1
265 . 1 . 1 27 27 LYS CB C 13 36.45 0.126 . 1 . . . . . 26 LYS CB . 51729 1
266 . 1 . 1 27 27 LYS CD C 13 25.63 0.000 . 1 . . . . . 26 LYS CD . 51729 1
267 . 1 . 1 27 27 LYS N N 15 123.9 0.066 . 1 . . . . . 26 LYS N . 51729 1
268 . 1 . 1 28 28 LYS H H 1 9.990 0.006 . 1 . . . . . 27 LYS H . 51729 1
269 . 1 . 1 28 28 LYS HA H 1 5.709 0.010 . 1 . . . . . 27 LYS HA . 51729 1
270 . 1 . 1 28 28 LYS HB2 H 1 2.078 0.000 . 2 . . . . . 27 LYS HB2 . 51729 1
271 . 1 . 1 28 28 LYS HB3 H 1 1.898 0.000 . 2 . . . . . 27 LYS HB3 . 51729 1
272 . 1 . 1 28 28 LYS HE2 H 1 2.373 0.000 . 2 . . . . . 27 LYS HE2 . 51729 1
273 . 1 . 1 28 28 LYS HE3 H 1 2.444 0.000 . 2 . . . . . 27 LYS HE3 . 51729 1
274 . 1 . 1 28 28 LYS C C 13 174.5 0.000 . 1 . . . . . 27 LYS C . 51729 1
275 . 1 . 1 28 28 LYS CA C 13 54.58 0.085 . 1 . . . . . 27 LYS CA . 51729 1
276 . 1 . 1 28 28 LYS CB C 13 37.82 0.113 . 1 . . . . . 27 LYS CB . 51729 1
277 . 1 . 1 28 28 LYS N N 15 130.7 0.066 . 1 . . . . . 27 LYS N . 51729 1
278 . 1 . 1 29 29 ARG H H 1 9.448 0.057 . 1 . . . . . 28 ARG H . 51729 1
279 . 1 . 1 29 29 ARG HA H 1 5.296 0.008 . 1 . . . . . 28 ARG HA . 51729 1
280 . 1 . 1 29 29 ARG HB2 H 1 1.918 0.012 . 2 . . . . . 28 ARG HB2 . 51729 1
281 . 1 . 1 29 29 ARG HB3 H 1 1.713 0.016 . 2 . . . . . 28 ARG HB3 . 51729 1
282 . 1 . 1 29 29 ARG HD2 H 1 2.944 0.001 . 2 . . . . . 28 ARG HD2 . 51729 1
283 . 1 . 1 29 29 ARG HD3 H 1 3.026 0.002 . 2 . . . . . 28 ARG HD3 . 51729 1
284 . 1 . 1 29 29 ARG C C 13 174.7 0.000 . 1 . . . . . 28 ARG C . 51729 1
285 . 1 . 1 29 29 ARG CA C 13 55.17 0.114 . 1 . . . . . 28 ARG CA . 51729 1
286 . 1 . 1 29 29 ARG CB C 13 34.89 0.070 . 1 . . . . . 28 ARG CB . 51729 1
287 . 1 . 1 29 29 ARG CG C 13 27.64 0.000 . 1 . . . . . 28 ARG CG . 51729 1
288 . 1 . 1 29 29 ARG N N 15 125.3 0.077 . 1 . . . . . 28 ARG N . 51729 1
289 . 1 . 1 30 30 TRP H H 1 8.873 0.007 . 1 . . . . . 29 TRP H . 51729 1
290 . 1 . 1 30 30 TRP HA H 1 5.226 0.008 . 1 . . . . . 29 TRP HA . 51729 1
291 . 1 . 1 30 30 TRP HB2 H 1 3.583 0.003 . 2 . . . . . 29 TRP HB2 . 51729 1
292 . 1 . 1 30 30 TRP HB3 H 1 3.425 0.010 . 2 . . . . . 29 TRP HB3 . 51729 1
293 . 1 . 1 30 30 TRP HD1 H 1 6.976 0.017 . 1 . . . . . 29 TRP HD1 . 51729 1
294 . 1 . 1 30 30 TRP C C 13 172.1 0.000 . 1 . . . . . 29 TRP C . 51729 1
295 . 1 . 1 30 30 TRP CA C 13 56.70 0.016 . 1 . . . . . 29 TRP CA . 51729 1
296 . 1 . 1 30 30 TRP CB C 13 32.56 0.105 . 1 . . . . . 29 TRP CB . 51729 1
297 . 1 . 1 30 30 TRP N N 15 124.6 0.103 . 1 . . . . . 29 TRP N . 51729 1
298 . 1 . 1 31 31 ARG H H 1 8.732 0.005 . 1 . . . . . 30 ARG H . 51729 1
299 . 1 . 1 31 31 ARG HA H 1 4.550 0.010 . 1 . . . . . 30 ARG HA . 51729 1
300 . 1 . 1 31 31 ARG HB2 H 1 1.574 0.013 . 2 . . . . . 30 ARG HB2 . 51729 1
301 . 1 . 1 31 31 ARG HB3 H 1 1.308 0.017 . 2 . . . . . 30 ARG HB3 . 51729 1
302 . 1 . 1 31 31 ARG HG2 H 1 1.060 0.010 . 2 . . . . . 30 ARG HG2 . 51729 1
303 . 1 . 1 31 31 ARG HG3 H 1 1.060 0.010 . 2 . . . . . 30 ARG HG3 . 51729 1
304 . 1 . 1 31 31 ARG HD2 H 1 2.948 0.007 . 2 . . . . . 30 ARG HD2 . 51729 1
305 . 1 . 1 31 31 ARG HD3 H 1 3.014 0.013 . 2 . . . . . 30 ARG HD3 . 51729 1
306 . 1 . 1 31 31 ARG C C 13 175.8 0.000 . 1 . . . . . 30 ARG C . 51729 1
307 . 1 . 1 31 31 ARG CA C 13 55.02 0.017 . 1 . . . . . 30 ARG CA . 51729 1
308 . 1 . 1 31 31 ARG CB C 13 32.33 0.055 . 1 . . . . . 30 ARG CB . 51729 1
309 . 1 . 1 31 31 ARG CG C 13 27.16 0.000 . 1 . . . . . 30 ARG CG . 51729 1
310 . 1 . 1 31 31 ARG CD C 13 43.30 0.000 . 1 . . . . . 30 ARG CD . 51729 1
311 . 1 . 1 31 31 ARG N N 15 120.4 0.050 . 1 . . . . . 30 ARG N . 51729 1
312 . 1 . 1 32 32 ASP H H 1 8.330 0.006 . 1 . . . . . 31 ASP H . 51729 1
313 . 1 . 1 32 32 ASP HA H 1 4.878 0.000 . 1 . . . . . 31 ASP HA . 51729 1
314 . 1 . 1 32 32 ASP HB2 H 1 3.160 0.000 . 2 . . . . . 31 ASP HB2 . 51729 1
315 . 1 . 1 32 32 ASP HB3 H 1 2.736 0.000 . 2 . . . . . 31 ASP HB3 . 51729 1
316 . 1 . 1 32 32 ASP CA C 13 52.41 0.000 . 1 . . . . . 31 ASP CA . 51729 1
317 . 1 . 1 32 32 ASP CB C 13 42.20 0.000 . 1 . . . . . 31 ASP CB . 51729 1
318 . 1 . 1 32 32 ASP N N 15 126.0 0.045 . 1 . . . . . 31 ASP N . 51729 1
319 . 1 . 1 33 33 HIS HB2 H 1 3.239 0.000 . 2 . . . . . 32 HIS HB2 . 51729 1
320 . 1 . 1 33 33 HIS HB3 H 1 3.170 0.006 . 2 . . . . . 32 HIS HB3 . 51729 1
321 . 1 . 1 33 33 HIS HD2 H 1 7.109 0.000 . 1 . . . . . 32 HIS HD2 . 51729 1
322 . 1 . 1 33 33 HIS C C 13 176.3 0.000 . 1 . . . . . 32 HIS C . 51729 1
323 . 1 . 1 33 33 HIS CA C 13 58.72 0.071 . 1 . . . . . 32 HIS CA . 51729 1
324 . 1 . 1 33 33 HIS CB C 13 29.56 0.094 . 1 . . . . . 32 HIS CB . 51729 1
325 . 1 . 1 34 34 ARG H H 1 8.310 0.011 . 1 . . . . . 33 ARG H . 51729 1
326 . 1 . 1 34 34 ARG HA H 1 4.277 0.012 . 1 . . . . . 33 ARG HA . 51729 1
327 . 1 . 1 34 34 ARG HB2 H 1 1.806 0.060 . 2 . . . . . 33 ARG HB2 . 51729 1
328 . 1 . 1 34 34 ARG HB3 H 1 1.683 0.090 . 2 . . . . . 33 ARG HB3 . 51729 1
329 . 1 . 1 34 34 ARG HG2 H 1 1.353 0.010 . 2 . . . . . 33 ARG HG2 . 51729 1
330 . 1 . 1 34 34 ARG HG3 H 1 1.078 0.008 . 2 . . . . . 33 ARG HG3 . 51729 1
331 . 1 . 1 34 34 ARG HD2 H 1 3.078 0.000 . 2 . . . . . 33 ARG HD2 . 51729 1
332 . 1 . 1 34 34 ARG HD3 H 1 3.129 0.000 . 2 . . . . . 33 ARG HD3 . 51729 1
333 . 1 . 1 34 34 ARG C C 13 176.2 0.000 . 1 . . . . . 33 ARG C . 51729 1
334 . 1 . 1 34 34 ARG CA C 13 56.03 0.014 . 1 . . . . . 33 ARG CA . 51729 1
335 . 1 . 1 34 34 ARG CB C 13 30.50 0.510 . 1 . . . . . 33 ARG CB . 51729 1
336 . 1 . 1 34 34 ARG CG C 13 26.77 0.000 . 1 . . . . . 33 ARG CG . 51729 1
337 . 1 . 1 34 34 ARG CD C 13 43.23 0.030 . 1 . . . . . 33 ARG CD . 51729 1
338 . 1 . 1 34 34 ARG N N 15 119.2 0.069 . 1 . . . . . 33 ARG N . 51729 1
339 . 1 . 1 35 35 GLY H H 1 7.775 0.031 . 1 . . . . . 34 GLY H . 51729 1
340 . 1 . 1 35 35 GLY C C 13 172.4 0.018 . 1 . . . . . 34 GLY C . 51729 1
341 . 1 . 1 35 35 GLY CA C 13 44.50 0.012 . 1 . . . . . 34 GLY CA . 51729 1
342 . 1 . 1 35 35 GLY N N 15 108.6 0.155 . 1 . . . . . 34 GLY N . 51729 1
343 . 1 . 1 36 36 TYR H H 1 8.534 0.007 . 1 . . . . . 35 TYR H . 51729 1
344 . 1 . 1 36 36 TYR HA H 1 4.726 0.013 . 1 . . . . . 35 TYR HA . 51729 1
345 . 1 . 1 36 36 TYR HB2 H 1 2.736 0.008 . 2 . . . . . 35 TYR HB2 . 51729 1
346 . 1 . 1 36 36 TYR HB3 H 1 2.736 0.008 . 2 . . . . . 35 TYR HB3 . 51729 1
347 . 1 . 1 36 36 TYR HD1 H 1 6.950 0.012 . 3 . . . . . 35 TYR HD1 . 51729 1
348 . 1 . 1 36 36 TYR HD2 H 1 6.950 0.012 . 3 . . . . . 35 TYR HD2 . 51729 1
349 . 1 . 1 36 36 TYR HE1 H 1 6.760 0.000 . 3 . . . . . 35 TYR HE1 . 51729 1
350 . 1 . 1 36 36 TYR HE2 H 1 6.760 0.000 . 3 . . . . . 35 TYR HE2 . 51729 1
351 . 1 . 1 36 36 TYR C C 13 176.4 0.000 . 1 . . . . . 35 TYR C . 51729 1
352 . 1 . 1 36 36 TYR CA C 13 59.10 0.099 . 1 . . . . . 35 TYR CA . 51729 1
353 . 1 . 1 36 36 TYR CB C 13 39.61 0.183 . 1 . . . . . 35 TYR CB . 51729 1
354 . 1 . 1 36 36 TYR N N 15 119.5 0.039 . 1 . . . . . 35 TYR N . 51729 1
355 . 1 . 1 37 37 ARG H H 1 8.890 0.008 . 1 . . . . . 36 ARG H . 51729 1
356 . 1 . 1 37 37 ARG HA H 1 4.314 0.009 . 1 . . . . . 36 ARG HA . 51729 1
357 . 1 . 1 37 37 ARG HB2 H 1 0.971 0.002 . 2 . . . . . 36 ARG HB2 . 51729 1
358 . 1 . 1 37 37 ARG HB3 H 1 0.085 0.010 . 2 . . . . . 36 ARG HB3 . 51729 1
359 . 1 . 1 37 37 ARG HG2 H 1 0.148 0.001 . 2 . . . . . 36 ARG HG2 . 51729 1
360 . 1 . 1 37 37 ARG HG3 H 1 0.148 0.001 . 2 . . . . . 36 ARG HG3 . 51729 1
361 . 1 . 1 37 37 ARG HD2 H 1 2.886 0.000 . 2 . . . . . 36 ARG HD2 . 51729 1
362 . 1 . 1 37 37 ARG HD3 H 1 2.788 0.000 . 2 . . . . . 36 ARG HD3 . 51729 1
363 . 1 . 1 37 37 ARG C C 13 174.3 0.000 . 1 . . . . . 36 ARG C . 51729 1
364 . 1 . 1 37 37 ARG CA C 13 54.04 0.042 . 1 . . . . . 36 ARG CA . 51729 1
365 . 1 . 1 37 37 ARG CB C 13 31.62 0.131 . 1 . . . . . 36 ARG CB . 51729 1
366 . 1 . 1 37 37 ARG CG C 13 25.44 0.000 . 1 . . . . . 36 ARG CG . 51729 1
367 . 1 . 1 37 37 ARG CD C 13 42.60 0.000 . 1 . . . . . 36 ARG CD . 51729 1
368 . 1 . 1 37 37 ARG N N 15 124.3 0.057 . 1 . . . . . 36 ARG N . 51729 1
369 . 1 . 1 38 38 THR H H 1 7.760 0.006 . 1 . . . . . 37 THR H . 51729 1
370 . 1 . 1 38 38 THR HA H 1 5.632 0.009 . 1 . . . . . 37 THR HA . 51729 1
371 . 1 . 1 38 38 THR HB H 1 3.793 0.008 . 1 . . . . . 37 THR HB . 51729 1
372 . 1 . 1 38 38 THR HG21 H 1 1.153 0.008 . 1 . . . . . 37 THR MG . 51729 1
373 . 1 . 1 38 38 THR HG22 H 1 1.153 0.008 . 1 . . . . . 37 THR MG . 51729 1
374 . 1 . 1 38 38 THR HG23 H 1 1.153 0.008 . 1 . . . . . 37 THR MG . 51729 1
375 . 1 . 1 38 38 THR C C 13 174.1 0.000 . 1 . . . . . 37 THR C . 51729 1
376 . 1 . 1 38 38 THR CA C 13 60.84 0.132 . 1 . . . . . 37 THR CA . 51729 1
377 . 1 . 1 38 38 THR CB C 13 72.02 0.122 . 1 . . . . . 37 THR CB . 51729 1
378 . 1 . 1 38 38 THR CG2 C 13 22.12 0.000 . 1 . . . . . 37 THR CG2 . 51729 1
379 . 1 . 1 38 38 THR N N 15 113.2 0.054 . 1 . . . . . 37 THR N . 51729 1
380 . 1 . 1 39 39 GLU H H 1 9.657 0.006 . 1 . . . . . 38 GLU H . 51729 1
381 . 1 . 1 39 39 GLU HA H 1 4.977 0.014 . 1 . . . . . 38 GLU HA . 51729 1
382 . 1 . 1 39 39 GLU HB2 H 1 2.344 0.017 . 2 . . . . . 38 GLU HB2 . 51729 1
383 . 1 . 1 39 39 GLU HB3 H 1 2.344 0.017 . 2 . . . . . 38 GLU HB3 . 51729 1
384 . 1 . 1 39 39 GLU HG2 H 1 2.632 0.006 . 2 . . . . . 38 GLU HG2 . 51729 1
385 . 1 . 1 39 39 GLU HG3 H 1 2.604 0.010 . 2 . . . . . 38 GLU HG3 . 51729 1
386 . 1 . 1 39 39 GLU C C 13 173.7 0.000 . 1 . . . . . 38 GLU C . 51729 1
387 . 1 . 1 39 39 GLU CA C 13 54.78 0.044 . 1 . . . . . 38 GLU CA . 51729 1
388 . 1 . 1 39 39 GLU CB C 13 35.23 0.083 . 1 . . . . . 38 GLU CB . 51729 1
389 . 1 . 1 39 39 GLU CG C 13 37.76 0.196 . 1 . . . . . 38 GLU CG . 51729 1
390 . 1 . 1 39 39 GLU N N 15 128.0 0.055 . 1 . . . . . 38 GLU N . 51729 1
391 . 1 . 1 40 40 ARG H H 1 8.821 0.007 . 1 . . . . . 39 ARG H . 51729 1
392 . 1 . 1 40 40 ARG HA H 1 4.871 0.011 . 1 . . . . . 39 ARG HA . 51729 1
393 . 1 . 1 40 40 ARG HB2 H 1 1.540 0.009 . 2 . . . . . 39 ARG HB2 . 51729 1
394 . 1 . 1 40 40 ARG HB3 H 1 1.540 0.009 . 2 . . . . . 39 ARG HB3 . 51729 1
395 . 1 . 1 40 40 ARG HG2 H 1 1.135 0.007 . 2 . . . . . 39 ARG HG2 . 51729 1
396 . 1 . 1 40 40 ARG HG3 H 1 1.135 0.007 . 2 . . . . . 39 ARG HG3 . 51729 1
397 . 1 . 1 40 40 ARG HD2 H 1 3.114 0.015 . 2 . . . . . 39 ARG HD2 . 51729 1
398 . 1 . 1 40 40 ARG HD3 H 1 3.114 0.015 . 2 . . . . . 39 ARG HD3 . 51729 1
399 . 1 . 1 40 40 ARG C C 13 174.8 0.000 . 1 . . . . . 39 ARG C . 51729 1
400 . 1 . 1 40 40 ARG CA C 13 53.93 0.032 . 1 . . . . . 39 ARG CA . 51729 1
401 . 1 . 1 40 40 ARG CB C 13 35.06 0.052 . 1 . . . . . 39 ARG CB . 51729 1
402 . 1 . 1 40 40 ARG CG C 13 28.76 0.000 . 1 . . . . . 39 ARG CG . 51729 1
403 . 1 . 1 40 40 ARG CD C 13 44.01 0.000 . 1 . . . . . 39 ARG CD . 51729 1
404 . 1 . 1 40 40 ARG N N 15 124.9 0.045 . 1 . . . . . 39 ARG N . 51729 1
405 . 1 . 1 41 41 GLY H H 1 6.226 0.009 . 1 . . . . . 40 GLY H . 51729 1
406 . 1 . 1 41 41 GLY HA2 H 1 4.321 0.005 . 2 . . . . . 40 GLY HA2 . 51729 1
407 . 1 . 1 41 41 GLY HA3 H 1 3.760 0.004 . 2 . . . . . 40 GLY HA3 . 51729 1
408 . 1 . 1 41 41 GLY C C 13 171.8 0.000 . 1 . . . . . 40 GLY C . 51729 1
409 . 1 . 1 41 41 GLY CA C 13 45.95 0.013 . 1 . . . . . 40 GLY CA . 51729 1
410 . 1 . 1 41 41 GLY N N 15 104.5 0.056 . 1 . . . . . 40 GLY N . 51729 1
411 . 1 . 1 42 42 CYS H H 1 8.694 0.005 . 1 . . . . . 41 CYS H . 51729 1
412 . 1 . 1 42 42 CYS HA H 1 5.320 0.010 . 1 . . . . . 41 CYS HA . 51729 1
413 . 1 . 1 42 42 CYS HB2 H 1 3.255 0.007 . 2 . . . . . 41 CYS HB2 . 51729 1
414 . 1 . 1 42 42 CYS HB3 H 1 2.946 0.007 . 2 . . . . . 41 CYS HB3 . 51729 1
415 . 1 . 1 42 42 CYS C C 13 175.4 0.000 . 1 . . . . . 41 CYS C . 51729 1
416 . 1 . 1 42 42 CYS CA C 13 57.89 0.036 . 1 . . . . . 41 CYS CA . 51729 1
417 . 1 . 1 42 42 CYS CB C 13 45.93 0.088 . 1 . . . . . 41 CYS CB . 51729 1
418 . 1 . 1 42 42 CYS N N 15 119.2 0.043 . 1 . . . . . 41 CYS N . 51729 1
419 . 1 . 1 43 43 GLY H H 1 9.362 0.006 . 1 . . . . . 42 GLY H . 51729 1
420 . 1 . 1 43 43 GLY HA2 H 1 4.360 0.000 . 2 . . . . . 42 GLY HA2 . 51729 1
421 . 1 . 1 43 43 GLY HA3 H 1 3.789 0.000 . 2 . . . . . 42 GLY HA3 . 51729 1
422 . 1 . 1 43 43 GLY C C 13 171.1 0.000 . 1 . . . . . 42 GLY C . 51729 1
423 . 1 . 1 43 43 GLY CA C 13 43.81 0.041 . 1 . . . . . 42 GLY CA . 51729 1
424 . 1 . 1 43 43 GLY N N 15 111.6 0.040 . 1 . . . . . 42 GLY N . 51729 1
425 . 1 . 1 44 44 CYS H H 1 8.137 0.006 . 1 . . . . . 43 CYS H . 51729 1
426 . 1 . 1 44 44 CYS HA H 1 4.980 0.000 . 1 . . . . . 43 CYS HA . 51729 1
427 . 1 . 1 44 44 CYS HB2 H 1 2.839 0.000 . 2 . . . . . 43 CYS HB2 . 51729 1
428 . 1 . 1 44 44 CYS HB3 H 1 2.622 0.000 . 2 . . . . . 43 CYS HB3 . 51729 1
429 . 1 . 1 44 44 CYS CA C 13 53.41 0.000 . 1 . . . . . 43 CYS CA . 51729 1
430 . 1 . 1 44 44 CYS CB C 13 38.12 0.000 . 1 . . . . . 43 CYS CB . 51729 1
431 . 1 . 1 44 44 CYS N N 15 112.2 0.045 . 1 . . . . . 43 CYS N . 51729 1
432 . 1 . 1 45 45 PRO HA H 1 4.307 0.000 . 1 . . . . . 44 PRO HA . 51729 1
433 . 1 . 1 45 45 PRO HB2 H 1 1.980 0.007 . 2 . . . . . 44 PRO HB2 . 51729 1
434 . 1 . 1 45 45 PRO HB3 H 1 1.611 0.002 . 2 . . . . . 44 PRO HB3 . 51729 1
435 . 1 . 1 45 45 PRO HG2 H 1 0.994 0.008 . 2 . . . . . 44 PRO HG2 . 51729 1
436 . 1 . 1 45 45 PRO HG3 H 1 0.994 0.008 . 2 . . . . . 44 PRO HG3 . 51729 1
437 . 1 . 1 45 45 PRO C C 13 175.1 0.000 . 1 . . . . . 44 PRO C . 51729 1
438 . 1 . 1 45 45 PRO CA C 13 62.34 0.057 . 1 . . . . . 44 PRO CA . 51729 1
439 . 1 . 1 45 45 PRO CB C 13 32.06 0.006 . 1 . . . . . 44 PRO CB . 51729 1
440 . 1 . 1 45 45 PRO CD C 13 50.39 0.000 . 1 . . . . . 44 PRO CD . 51729 1
441 . 1 . 1 45 45 PRO N N 15 113.8 0.000 . 1 . . . . . 44 PRO N . 51729 1
442 . 1 . 1 46 46 SER H H 1 7.986 0.005 . 1 . . . . . 45 SER H . 51729 1
443 . 1 . 1 46 46 SER HA H 1 4.369 0.009 . 1 . . . . . 45 SER HA . 51729 1
444 . 1 . 1 46 46 SER HB2 H 1 3.778 0.008 . 2 . . . . . 45 SER HB2 . 51729 1
445 . 1 . 1 46 46 SER HB3 H 1 3.778 0.008 . 2 . . . . . 45 SER HB3 . 51729 1
446 . 1 . 1 46 46 SER C C 13 174.8 0.000 . 1 . . . . . 45 SER C . 51729 1
447 . 1 . 1 46 46 SER CA C 13 58.16 0.031 . 1 . . . . . 45 SER CA . 51729 1
448 . 1 . 1 46 46 SER CB C 13 63.48 0.196 . 1 . . . . . 45 SER CB . 51729 1
449 . 1 . 1 46 46 SER N N 15 113.7 0.036 . 1 . . . . . 45 SER N . 51729 1
450 . 1 . 1 47 47 VAL H H 1 8.286 0.006 . 1 . . . . . 46 VAL H . 51729 1
451 . 1 . 1 47 47 VAL HA H 1 4.379 0.011 . 1 . . . . . 46 VAL HA . 51729 1
452 . 1 . 1 47 47 VAL HB H 1 2.064 0.006 . 1 . . . . . 46 VAL HB . 51729 1
453 . 1 . 1 47 47 VAL HG11 H 1 0.781 0.009 . 2 . . . . . 46 VAL MG1 . 51729 1
454 . 1 . 1 47 47 VAL HG12 H 1 0.781 0.009 . 2 . . . . . 46 VAL MG1 . 51729 1
455 . 1 . 1 47 47 VAL HG13 H 1 0.781 0.009 . 2 . . . . . 46 VAL MG1 . 51729 1
456 . 1 . 1 47 47 VAL HG21 H 1 0.850 0.004 . 2 . . . . . 46 VAL MG2 . 51729 1
457 . 1 . 1 47 47 VAL HG22 H 1 0.850 0.004 . 2 . . . . . 46 VAL MG2 . 51729 1
458 . 1 . 1 47 47 VAL HG23 H 1 0.850 0.004 . 2 . . . . . 46 VAL MG2 . 51729 1
459 . 1 . 1 47 47 VAL C C 13 175.5 0.000 . 1 . . . . . 46 VAL C . 51729 1
460 . 1 . 1 47 47 VAL CA C 13 60.17 0.004 . 1 . . . . . 46 VAL CA . 51729 1
461 . 1 . 1 47 47 VAL CB C 13 34.85 0.057 . 1 . . . . . 46 VAL CB . 51729 1
462 . 1 . 1 47 47 VAL CG1 C 13 22.13 0.026 . 2 . . . . . 46 VAL CG1 . 51729 1
463 . 1 . 1 47 47 VAL CG2 C 13 19.25 0.041 . 2 . . . . . 46 VAL CG2 . 51729 1
464 . 1 . 1 47 47 VAL N N 15 117.9 0.042 . 1 . . . . . 46 VAL N . 51729 1
465 . 1 . 1 48 48 LYS H H 1 7.723 0.006 . 1 . . . . . 47 LYS H . 51729 1
466 . 1 . 1 48 48 LYS HA H 1 4.400 0.008 . 1 . . . . . 47 LYS HA . 51729 1
467 . 1 . 1 48 48 LYS HB2 H 1 1.864 0.000 . 2 . . . . . 47 LYS HB2 . 51729 1
468 . 1 . 1 48 48 LYS HB3 H 1 1.641 0.010 . 2 . . . . . 47 LYS HB3 . 51729 1
469 . 1 . 1 48 48 LYS HG2 H 1 1.391 0.000 . 2 . . . . . 47 LYS HG2 . 51729 1
470 . 1 . 1 48 48 LYS HG3 H 1 1.391 0.000 . 2 . . . . . 47 LYS HG3 . 51729 1
471 . 1 . 1 48 48 LYS HD2 H 1 1.397 0.002 . 2 . . . . . 47 LYS HD2 . 51729 1
472 . 1 . 1 48 48 LYS HD3 H 1 1.397 0.002 . 2 . . . . . 47 LYS HD3 . 51729 1
473 . 1 . 1 48 48 LYS C C 13 175.4 0.000 . 1 . . . . . 47 LYS C . 51729 1
474 . 1 . 1 48 48 LYS CA C 13 55.22 0.061 . 1 . . . . . 47 LYS CA . 51729 1
475 . 1 . 1 48 48 LYS CB C 13 34.25 0.059 . 1 . . . . . 47 LYS CB . 51729 1
476 . 1 . 1 48 48 LYS CG C 13 24.62 0.074 . 1 . . . . . 47 LYS CG . 51729 1
477 . 1 . 1 48 48 LYS N N 15 121.5 0.064 . 1 . . . . . 47 LYS N . 51729 1
478 . 1 . 1 49 49 ASN H H 1 8.368 0.006 . 1 . . . . . 48 ASN H . 51729 1
479 . 1 . 1 49 49 ASN HA H 1 4.633 0.153 . 1 . . . . . 48 ASN HA . 51729 1
480 . 1 . 1 49 49 ASN HB2 H 1 2.800 0.007 . 2 . . . . . 48 ASN HB2 . 51729 1
481 . 1 . 1 49 49 ASN HB3 H 1 2.800 0.007 . 2 . . . . . 48 ASN HB3 . 51729 1
482 . 1 . 1 49 49 ASN HD21 H 1 7.682 0.000 . 2 . . . . . 48 ASN HD21 . 51729 1
483 . 1 . 1 49 49 ASN HD22 H 1 6.997 0.000 . 2 . . . . . 48 ASN HD22 . 51729 1
484 . 1 . 1 49 49 ASN C C 13 176.1 0.000 . 1 . . . . . 48 ASN C . 51729 1
485 . 1 . 1 49 49 ASN CA C 13 55.04 0.011 . 1 . . . . . 48 ASN CA . 51729 1
486 . 1 . 1 49 49 ASN CB C 13 38.43 0.035 . 1 . . . . . 48 ASN CB . 51729 1
487 . 1 . 1 49 49 ASN N N 15 117.2 0.053 . 1 . . . . . 48 ASN N . 51729 1
488 . 1 . 1 49 49 ASN ND2 N 15 113.0 0.004 . 1 . . . . . 48 ASN ND2 . 51729 1
489 . 1 . 1 50 50 GLY H H 1 8.798 0.007 . 1 . . . . . 49 GLY H . 51729 1
490 . 1 . 1 50 50 GLY HA2 H 1 4.302 0.007 . 2 . . . . . 49 GLY HA2 . 51729 1
491 . 1 . 1 50 50 GLY HA3 H 1 3.651 0.007 . 2 . . . . . 49 GLY HA3 . 51729 1
492 . 1 . 1 50 50 GLY C C 13 174.0 0.000 . 1 . . . . . 49 GLY C . 51729 1
493 . 1 . 1 50 50 GLY CA C 13 45.33 0.069 . 1 . . . . . 49 GLY CA . 51729 1
494 . 1 . 1 50 50 GLY N N 15 111.3 0.044 . 1 . . . . . 49 GLY N . 51729 1
495 . 1 . 1 51 51 ILE H H 1 7.657 0.005 . 1 . . . . . 50 ILE H . 51729 1
496 . 1 . 1 51 51 ILE HA H 1 4.512 0.008 . 1 . . . . . 50 ILE HA . 51729 1
497 . 1 . 1 51 51 ILE HB H 1 1.915 0.010 . 1 . . . . . 50 ILE HB . 51729 1
498 . 1 . 1 51 51 ILE HG12 H 1 1.389 0.011 . 2 . . . . . 50 ILE HG12 . 51729 1
499 . 1 . 1 51 51 ILE HG13 H 1 1.378 0.013 . 2 . . . . . 50 ILE HG13 . 51729 1
500 . 1 . 1 51 51 ILE HG21 H 1 0.858 0.006 . 1 . . . . . 50 ILE MG . 51729 1
501 . 1 . 1 51 51 ILE HG22 H 1 0.858 0.006 . 1 . . . . . 50 ILE MG . 51729 1
502 . 1 . 1 51 51 ILE HG23 H 1 0.858 0.006 . 1 . . . . . 50 ILE MG . 51729 1
503 . 1 . 1 51 51 ILE HD11 H 1 0.563 0.006 . 1 . . . . . 50 ILE MD . 51729 1
504 . 1 . 1 51 51 ILE HD12 H 1 0.563 0.006 . 1 . . . . . 50 ILE MD . 51729 1
505 . 1 . 1 51 51 ILE HD13 H 1 0.563 0.006 . 1 . . . . . 50 ILE MD . 51729 1
506 . 1 . 1 51 51 ILE C C 13 175.0 0.000 . 1 . . . . . 50 ILE C . 51729 1
507 . 1 . 1 51 51 ILE CA C 13 60.70 0.036 . 1 . . . . . 50 ILE CA . 51729 1
508 . 1 . 1 51 51 ILE CB C 13 38.82 0.027 . 1 . . . . . 50 ILE CB . 51729 1
509 . 1 . 1 51 51 ILE CG1 C 13 27.43 0.000 . 1 . . . . . 50 ILE CG1 . 51729 1
510 . 1 . 1 51 51 ILE CG2 C 13 18.22 0.155 . 1 . . . . . 50 ILE CG2 . 51729 1
511 . 1 . 1 51 51 ILE CD1 C 13 12.92 0.043 . 1 . . . . . 50 ILE CD1 . 51729 1
512 . 1 . 1 51 51 ILE N N 15 121.1 0.032 . 1 . . . . . 50 ILE N . 51729 1
513 . 1 . 1 52 52 GLU H H 1 8.683 0.006 . 1 . . . . . 51 GLU H . 51729 1
514 . 1 . 1 52 52 GLU HA H 1 4.644 0.010 . 1 . . . . . 51 GLU HA . 51729 1
515 . 1 . 1 52 52 GLU HB2 H 1 2.397 0.011 . 2 . . . . . 51 GLU HB2 . 51729 1
516 . 1 . 1 52 52 GLU HB3 H 1 2.221 0.010 . 2 . . . . . 51 GLU HB3 . 51729 1
517 . 1 . 1 52 52 GLU HG2 H 1 2.389 0.013 . 2 . . . . . 51 GLU HG2 . 51729 1
518 . 1 . 1 52 52 GLU HG3 H 1 2.389 0.013 . 2 . . . . . 51 GLU HG3 . 51729 1
519 . 1 . 1 52 52 GLU C C 13 175.2 0.000 . 1 . . . . . 51 GLU C . 51729 1
520 . 1 . 1 52 52 GLU CA C 13 55.62 0.049 . 1 . . . . . 51 GLU CA . 51729 1
521 . 1 . 1 52 52 GLU CB C 13 31.57 0.045 . 1 . . . . . 51 GLU CB . 51729 1
522 . 1 . 1 52 52 GLU CG C 13 36.33 0.062 . 1 . . . . . 51 GLU CG . 51729 1
523 . 1 . 1 52 52 GLU N N 15 126.7 0.036 . 1 . . . . . 51 GLU N . 51729 1
524 . 1 . 1 53 53 ILE H H 1 8.758 0.006 . 1 . . . . . 52 ILE H . 51729 1
525 . 1 . 1 53 53 ILE HA H 1 5.353 0.000 . 1 . . . . . 52 ILE HA . 51729 1
526 . 1 . 1 53 53 ILE HB H 1 1.666 0.003 . 1 . . . . . 52 ILE HB . 51729 1
527 . 1 . 1 53 53 ILE HG12 H 1 1.494 0.007 . 2 . . . . . 52 ILE HG12 . 51729 1
528 . 1 . 1 53 53 ILE HG13 H 1 1.239 0.006 . 2 . . . . . 52 ILE HG13 . 51729 1
529 . 1 . 1 53 53 ILE HG21 H 1 0.962 0.003 . 1 . . . . . 52 ILE MG . 51729 1
530 . 1 . 1 53 53 ILE HG22 H 1 0.962 0.003 . 1 . . . . . 52 ILE MG . 51729 1
531 . 1 . 1 53 53 ILE HG23 H 1 0.962 0.003 . 1 . . . . . 52 ILE MG . 51729 1
532 . 1 . 1 53 53 ILE HD11 H 1 0.735 0.004 . 1 . . . . . 52 ILE MD . 51729 1
533 . 1 . 1 53 53 ILE HD12 H 1 0.735 0.004 . 1 . . . . . 52 ILE MD . 51729 1
534 . 1 . 1 53 53 ILE HD13 H 1 0.735 0.004 . 1 . . . . . 52 ILE MD . 51729 1
535 . 1 . 1 53 53 ILE C C 13 173.2 0.000 . 1 . . . . . 52 ILE C . 51729 1
536 . 1 . 1 53 53 ILE CA C 13 58.87 0.035 . 1 . . . . . 52 ILE CA . 51729 1
537 . 1 . 1 53 53 ILE CB C 13 42.26 0.083 . 1 . . . . . 52 ILE CB . 51729 1
538 . 1 . 1 53 53 ILE CG1 C 13 29.17 0.010 . 1 . . . . . 52 ILE CG1 . 51729 1
539 . 1 . 1 53 53 ILE CG2 C 13 16.85 0.063 . 1 . . . . . 52 ILE CG2 . 51729 1
540 . 1 . 1 53 53 ILE CD1 C 13 14.73 0.034 . 1 . . . . . 52 ILE CD1 . 51729 1
541 . 1 . 1 53 53 ILE N N 15 124.6 0.029 . 1 . . . . . 52 ILE N . 51729 1
542 . 1 . 1 54 54 ASN H H 1 8.600 0.005 . 1 . . . . . 53 ASN H . 51729 1
543 . 1 . 1 54 54 ASN HA H 1 5.118 0.009 . 1 . . . . . 53 ASN HA . 51729 1
544 . 1 . 1 54 54 ASN HB2 H 1 2.708 0.009 . 2 . . . . . 53 ASN HB2 . 51729 1
545 . 1 . 1 54 54 ASN HB3 H 1 2.708 0.009 . 2 . . . . . 53 ASN HB3 . 51729 1
546 . 1 . 1 54 54 ASN HD21 H 1 7.036 0.000 . 2 . . . . . 53 ASN HD21 . 51729 1
547 . 1 . 1 54 54 ASN HD22 H 1 7.036 0.000 . 2 . . . . . 53 ASN HD22 . 51729 1
548 . 1 . 1 54 54 ASN C C 13 174.1 0.000 . 1 . . . . . 53 ASN C . 51729 1
549 . 1 . 1 54 54 ASN CA C 13 52.69 0.054 . 1 . . . . . 53 ASN CA . 51729 1
550 . 1 . 1 54 54 ASN CB C 13 42.47 0.015 . 1 . . . . . 53 ASN CB . 51729 1
551 . 1 . 1 54 54 ASN N N 15 124.6 0.029 . 1 . . . . . 53 ASN N . 51729 1
552 . 1 . 1 54 54 ASN ND2 N 15 112.4 0.000 . 1 . . . . . 53 ASN ND2 . 51729 1
553 . 1 . 1 55 55 CYS H H 1 9.229 0.007 . 1 . . . . . 54 CYS H . 51729 1
554 . 1 . 1 55 55 CYS HA H 1 5.939 0.010 . 1 . . . . . 54 CYS HA . 51729 1
555 . 1 . 1 55 55 CYS HB2 H 1 3.531 0.004 . 2 . . . . . 54 CYS HB2 . 51729 1
556 . 1 . 1 55 55 CYS HB3 H 1 3.196 0.005 . 2 . . . . . 54 CYS HB3 . 51729 1
557 . 1 . 1 55 55 CYS C C 13 172.4 0.000 . 1 . . . . . 54 CYS C . 51729 1
558 . 1 . 1 55 55 CYS CA C 13 53.66 0.060 . 1 . . . . . 54 CYS CA . 51729 1
559 . 1 . 1 55 55 CYS CB C 13 43.70 0.096 . 1 . . . . . 54 CYS CB . 51729 1
560 . 1 . 1 55 55 CYS N N 15 123.2 0.062 . 1 . . . . . 54 CYS N . 51729 1
561 . 1 . 1 56 56 CYS H H 1 9.419 0.006 . 1 . . . . . 55 CYS H . 51729 1
562 . 1 . 1 56 56 CYS HA H 1 5.362 0.010 . 1 . . . . . 55 CYS HA . 51729 1
563 . 1 . 1 56 56 CYS HB2 H 1 3.704 0.006 . 2 . . . . . 55 CYS HB2 . 51729 1
564 . 1 . 1 56 56 CYS HB3 H 1 3.359 0.011 . 2 . . . . . 55 CYS HB3 . 51729 1
565 . 1 . 1 56 56 CYS C C 13 174.9 0.000 . 1 . . . . . 55 CYS C . 51729 1
566 . 1 . 1 56 56 CYS CA C 13 54.44 0.008 . 1 . . . . . 55 CYS CA . 51729 1
567 . 1 . 1 56 56 CYS CB C 13 45.52 0.009 . 1 . . . . . 55 CYS CB . 51729 1
568 . 1 . 1 56 56 CYS N N 15 120.3 0.043 . 1 . . . . . 55 CYS N . 51729 1
569 . 1 . 1 57 57 THR H H 1 8.470 0.005 . 1 . . . . . 56 THR H . 51729 1
570 . 1 . 1 57 57 THR HA H 1 5.161 0.007 . 1 . . . . . 56 THR HA . 51729 1
571 . 1 . 1 57 57 THR HB H 1 4.833 0.022 . 1 . . . . . 56 THR HB . 51729 1
572 . 1 . 1 57 57 THR HG21 H 1 1.229 0.004 . 1 . . . . . 56 THR MG . 51729 1
573 . 1 . 1 57 57 THR HG22 H 1 1.229 0.004 . 1 . . . . . 56 THR MG . 51729 1
574 . 1 . 1 57 57 THR HG23 H 1 1.229 0.004 . 1 . . . . . 56 THR MG . 51729 1
575 . 1 . 1 57 57 THR C C 13 174.7 0.000 . 1 . . . . . 56 THR C . 51729 1
576 . 1 . 1 57 57 THR CA C 13 62.40 0.026 . 1 . . . . . 56 THR CA . 51729 1
577 . 1 . 1 57 57 THR CB C 13 70.06 0.144 . 1 . . . . . 56 THR CB . 51729 1
578 . 1 . 1 57 57 THR CG2 C 13 21.36 0.000 . 1 . . . . . 56 THR CG2 . 51729 1
579 . 1 . 1 57 57 THR N N 15 108.4 0.049 . 1 . . . . . 56 THR N . 51729 1
580 . 1 . 1 58 58 THR H H 1 7.487 0.006 . 1 . . . . . 57 THR H . 51729 1
581 . 1 . 1 58 58 THR HA H 1 4.807 0.009 . 1 . . . . . 57 THR HA . 51729 1
582 . 1 . 1 58 58 THR HB H 1 4.321 0.004 . 1 . . . . . 57 THR HB . 51729 1
583 . 1 . 1 58 58 THR HG21 H 1 1.210 0.006 . 1 . . . . . 57 THR MG . 51729 1
584 . 1 . 1 58 58 THR HG22 H 1 1.210 0.006 . 1 . . . . . 57 THR MG . 51729 1
585 . 1 . 1 58 58 THR HG23 H 1 1.210 0.006 . 1 . . . . . 57 THR MG . 51729 1
586 . 1 . 1 58 58 THR C C 13 173.4 0.000 . 1 . . . . . 57 THR C . 51729 1
587 . 1 . 1 58 58 THR CA C 13 59.85 0.023 . 1 . . . . . 57 THR CA . 51729 1
588 . 1 . 1 58 58 THR CB C 13 72.15 0.098 . 1 . . . . . 57 THR CB . 51729 1
589 . 1 . 1 58 58 THR CG2 C 13 22.29 0.000 . 1 . . . . . 57 THR CG2 . 51729 1
590 . 1 . 1 58 58 THR N N 15 112.2 0.046 . 1 . . . . . 57 THR N . 51729 1
591 . 1 . 1 59 59 ASP H H 1 8.231 0.006 . 1 . . . . . 58 ASP H . 51729 1
592 . 1 . 1 59 59 ASP HA H 1 4.792 0.009 . 1 . . . . . 58 ASP HA . 51729 1
593 . 1 . 1 59 59 ASP HB2 H 1 2.490 0.007 . 2 . . . . . 58 ASP HB2 . 51729 1
594 . 1 . 1 59 59 ASP HB3 H 1 2.490 0.007 . 2 . . . . . 58 ASP HB3 . 51729 1
595 . 1 . 1 59 59 ASP C C 13 177.8 0.000 . 1 . . . . . 58 ASP C . 51729 1
596 . 1 . 1 59 59 ASP CA C 13 55.77 0.014 . 1 . . . . . 58 ASP CA . 51729 1
597 . 1 . 1 59 59 ASP CB C 13 41.52 0.042 . 1 . . . . . 58 ASP CB . 51729 1
598 . 1 . 1 59 59 ASP N N 15 119.0 0.035 . 1 . . . . . 58 ASP N . 51729 1
599 . 1 . 1 60 60 ARG H H 1 9.531 0.006 . 1 . . . . . 59 ARG H . 51729 1
600 . 1 . 1 60 60 ARG HA H 1 3.417 0.008 . 1 . . . . . 59 ARG HA . 51729 1
601 . 1 . 1 60 60 ARG HB2 H 1 2.296 0.008 . 2 . . . . . 59 ARG HB2 . 51729 1
602 . 1 . 1 60 60 ARG HB3 H 1 1.967 0.031 . 2 . . . . . 59 ARG HB3 . 51729 1
603 . 1 . 1 60 60 ARG HG2 H 1 0.587 0.004 . 2 . . . . . 59 ARG HG2 . 51729 1
604 . 1 . 1 60 60 ARG HG3 H 1 1.289 0.005 . 2 . . . . . 59 ARG HG3 . 51729 1
605 . 1 . 1 60 60 ARG HD2 H 1 2.975 0.004 . 2 . . . . . 59 ARG HD2 . 51729 1
606 . 1 . 1 60 60 ARG HD3 H 1 3.181 0.004 . 2 . . . . . 59 ARG HD3 . 51729 1
607 . 1 . 1 60 60 ARG C C 13 175.7 0.000 . 1 . . . . . 59 ARG C . 51729 1
608 . 1 . 1 60 60 ARG CA C 13 58.32 0.016 . 1 . . . . . 59 ARG CA . 51729 1
609 . 1 . 1 60 60 ARG CB C 13 26.40 0.038 . 1 . . . . . 59 ARG CB . 51729 1
610 . 1 . 1 60 60 ARG CG C 13 28.37 0.143 . 1 . . . . . 59 ARG CG . 51729 1
611 . 1 . 1 60 60 ARG CD C 13 42.96 0.134 . 1 . . . . . 59 ARG CD . 51729 1
612 . 1 . 1 60 60 ARG N N 15 113.0 0.037 . 1 . . . . . 59 ARG N . 51729 1
613 . 1 . 1 61 61 CYS H H 1 7.940 0.006 . 1 . . . . . 60 CYS H . 51729 1
614 . 1 . 1 61 61 CYS HA H 1 4.542 0.011 . 1 . . . . . 60 CYS HA . 51729 1
615 . 1 . 1 61 61 CYS HB2 H 1 3.866 0.006 . 2 . . . . . 60 CYS HB2 . 51729 1
616 . 1 . 1 61 61 CYS HB3 H 1 3.407 0.008 . 2 . . . . . 60 CYS HB3 . 51729 1
617 . 1 . 1 61 61 CYS C C 13 174.2 0.000 . 1 . . . . . 60 CYS C . 51729 1
618 . 1 . 1 61 61 CYS CA C 13 57.29 0.034 . 1 . . . . . 60 CYS CA . 51729 1
619 . 1 . 1 61 61 CYS CB C 13 45.07 0.058 . 1 . . . . . 60 CYS CB . 51729 1
620 . 1 . 1 61 61 CYS N N 15 113.7 0.033 . 1 . . . . . 60 CYS N . 51729 1
621 . 1 . 1 62 62 ASN H H 1 9.174 0.006 . 1 . . . . . 61 ASN H . 51729 1
622 . 1 . 1 62 62 ASN HA H 1 4.770 0.013 . 1 . . . . . 61 ASN HA . 51729 1
623 . 1 . 1 62 62 ASN HB2 H 1 2.873 0.011 . 2 . . . . . 61 ASN HB2 . 51729 1
624 . 1 . 1 62 62 ASN HB3 H 1 2.207 0.004 . 2 . . . . . 61 ASN HB3 . 51729 1
625 . 1 . 1 62 62 ASN HD21 H 1 8.169 0.009 . 2 . . . . . 61 ASN HD21 . 51729 1
626 . 1 . 1 62 62 ASN HD22 H 1 7.951 0.007 . 2 . . . . . 61 ASN HD22 . 51729 1
627 . 1 . 1 62 62 ASN C C 13 173.5 0.000 . 1 . . . . . 61 ASN C . 51729 1
628 . 1 . 1 62 62 ASN CA C 13 53.01 0.072 . 1 . . . . . 61 ASN CA . 51729 1
629 . 1 . 1 62 62 ASN CB C 13 36.99 0.029 . 1 . . . . . 61 ASN CB . 51729 1
630 . 1 . 1 62 62 ASN N N 15 122.0 0.047 . 1 . . . . . 61 ASN N . 51729 1
631 . 1 . 1 62 62 ASN ND2 N 15 117.2 0.082 . 1 . . . . . 61 ASN ND2 . 51729 1
632 . 1 . 1 63 63 ASN H H 1 7.514 0.005 . 1 . . . . . 62 ASN H . 51729 1
633 . 1 . 1 63 63 ASN HA H 1 3.880 0.009 . 1 . . . . . 62 ASN HA . 51729 1
634 . 1 . 1 63 63 ASN HB2 H 1 2.593 0.002 . 2 . . . . . 62 ASN HB2 . 51729 1
635 . 1 . 1 63 63 ASN HB3 H 1 2.429 0.013 . 2 . . . . . 62 ASN HB3 . 51729 1
636 . 1 . 1 63 63 ASN HD21 H 1 7.284 0.011 . 2 . . . . . 62 ASN HD21 . 51729 1
637 . 1 . 1 63 63 ASN HD22 H 1 6.315 0.014 . 2 . . . . . 62 ASN HD22 . 51729 1
638 . 1 . 1 63 63 ASN CA C 13 56.64 0.000 . 1 . . . . . 62 ASN CA . 51729 1
639 . 1 . 1 63 63 ASN CB C 13 38.63 0.001 . 1 . . . . . 62 ASN CB . 51729 1
640 . 1 . 1 63 63 ASN N N 15 121.1 0.036 . 1 . . . . . 62 ASN N . 51729 1
641 . 1 . 1 63 63 ASN ND2 N 15 111.1 0.064 . 1 . . . . . 62 ASN ND2 . 51729 1
stop_
save_