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 34500
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $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
1 '2D 1H-15N HSQC' . . . 34500 1
2 '2D 1H-13C HSQC' . . . 34500 1
3 '2D 1H-13C HSQC aromatic' . . . 34500 1
4 '3D HNCACB' . . . 34500 1
5 '3D HN(COCA)CB' . . . 34500 1
6 '3D HN(CA)CO' . . . 34500 1
7 '3D HNCO' . . . 34500 1
8 '3D HNHA' . . . 34500 1
9 '3D (H)CC(CO)NH' . . . 34500 1
10 '3D 1H-13C TOCSY' . . . 34500 1
11 '2D 1H-15N HETNOE' . . . 34500 1
12 '2D 1H-15N T1' . . . 34500 1
13 '2D 1H-15N T2' . . . 34500 1
14 '3D HN(CO)CA' . . . 34500 1
15 '3D 1H-15N TOCSY' . . . 34500 1
16 '3D CC(CO)NH' . . . 34500 1
17 '3D 1H-13C NOESY' . . . 34500 1
18 '3D 1H-13C NOESY aromatic' . . . 34500 1
19 '3D 1H-15N NOESY' . . . 34500 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 2 2 ALA HA H 1 4.351 0.006 . . . . . . A 2 ALA HA . 34500 1
2 . 1 . 1 2 2 ALA HB1 H 1 1.397 0.005 . . . . . . A 2 ALA HB1 . 34500 1
3 . 1 . 1 2 2 ALA HB2 H 1 1.397 0.005 . . . . . . A 2 ALA HB2 . 34500 1
4 . 1 . 1 2 2 ALA HB3 H 1 1.397 0.005 . . . . . . A 2 ALA HB3 . 34500 1
5 . 1 . 1 2 2 ALA C C 13 173.805 0.004 . . . . . . A 2 ALA C . 34500 1
6 . 1 . 1 2 2 ALA CA C 13 52.467 0.039 . . . . . . A 2 ALA CA . 34500 1
7 . 1 . 1 2 2 ALA CB C 13 19.229 0.054 . . . . . . A 2 ALA CB . 34500 1
8 . 1 . 1 3 3 MET H H 1 8.745 0.002 . . . . . . A 3 MET H . 34500 1
9 . 1 . 1 3 3 MET HA H 1 4.499 0.006 . . . . . . A 3 MET HA . 34500 1
10 . 1 . 1 3 3 MET HB2 H 1 2.059 0.010 . . . . . . A 3 MET HB2 . 34500 1
11 . 1 . 1 3 3 MET HB3 H 1 2.113 0.013 . . . . . . A 3 MET HB3 . 34500 1
12 . 1 . 1 3 3 MET HG2 H 1 2.568 0.009 . . . . . . A 3 MET HG2 . 34500 1
13 . 1 . 1 3 3 MET HG3 H 1 2.641 0.005 . . . . . . A 3 MET HG3 . 34500 1
14 . 1 . 1 3 3 MET C C 13 174.921 0.002 . . . . . . A 3 MET C . 34500 1
15 . 1 . 1 3 3 MET CA C 13 55.550 0.014 . . . . . . A 3 MET CA . 34500 1
16 . 1 . 1 3 3 MET CB C 13 32.465 0.050 . . . . . . A 3 MET CB . 34500 1
17 . 1 . 1 3 3 MET CG C 13 31.933 0.027 . . . . . . A 3 MET CG . 34500 1
18 . 1 . 1 3 3 MET N N 15 120.343 0.020 . . . . . . A 3 MET N . 34500 1
19 . 1 . 1 4 4 GLY H H 1 8.651 0.002 . . . . . . A 4 GLY H . 34500 1
20 . 1 . 1 4 4 GLY HA2 H 1 4.003 0.030 . . . . . . A 4 GLY HA2 . 34500 1
21 . 1 . 1 4 4 GLY HA3 H 1 4.045 0.031 . . . . . . A 4 GLY HA3 . 34500 1
22 . 1 . 1 4 4 GLY C C 13 177.479 0.012 . . . . . . A 4 GLY C . 34500 1
23 . 1 . 1 4 4 GLY CA C 13 45.183 0.014 . . . . . . A 4 GLY CA . 34500 1
24 . 1 . 1 4 4 GLY N N 15 111.232 0.025 . . . . . . A 4 GLY N . 34500 1
25 . 1 . 1 5 5 SER H H 1 8.399 0.003 . . . . . . A 5 SER H . 34500 1
26 . 1 . 1 5 5 SER HA H 1 4.456 0.010 . . . . . . A 5 SER HA . 34500 1
27 . 1 . 1 5 5 SER HB2 H 1 3.872 0.011 . . . . . . A 5 SER HB2 . 34500 1
28 . 1 . 1 5 5 SER HB3 H 1 3.944 0.009 . . . . . . A 5 SER HB3 . 34500 1
29 . 1 . 1 5 5 SER C C 13 176.813 0.001 . . . . . . A 5 SER C . 34500 1
30 . 1 . 1 5 5 SER CA C 13 58.491 0.085 . . . . . . A 5 SER CA . 34500 1
31 . 1 . 1 5 5 SER CB C 13 63.750 0.063 . . . . . . A 5 SER CB . 34500 1
32 . 1 . 1 5 5 SER N N 15 116.143 0.011 . . . . . . A 5 SER N . 34500 1
33 . 1 . 1 6 6 GLU H H 1 8.811 0.001 . . . . . . A 6 GLU H . 34500 1
34 . 1 . 1 6 6 GLU HA H 1 4.296 0.006 . . . . . . A 6 GLU HA . 34500 1
35 . 1 . 1 6 6 GLU HB2 H 1 1.993 0.010 . . . . . . A 6 GLU HB2 . 34500 1
36 . 1 . 1 6 6 GLU HB3 H 1 2.102 0.006 . . . . . . A 6 GLU HB3 . 34500 1
37 . 1 . 1 6 6 GLU HG2 H 1 2.293 0.005 . . . . . . A 6 GLU HG2 . 34500 1
38 . 1 . 1 6 6 GLU HG3 H 1 2.293 0.005 . . . . . . A 6 GLU HG3 . 34500 1
39 . 1 . 1 6 6 GLU C C 13 174.879 0.003 . . . . . . A 6 GLU C . 34500 1
40 . 1 . 1 6 6 GLU CA C 13 57.196 0.053 . . . . . . A 6 GLU CA . 34500 1
41 . 1 . 1 6 6 GLU CB C 13 29.658 0.066 . . . . . . A 6 GLU CB . 34500 1
42 . 1 . 1 6 6 GLU CG C 13 36.273 0.024 . . . . . . A 6 GLU CG . 34500 1
43 . 1 . 1 6 6 GLU N N 15 122.981 0.014 . . . . . . A 6 GLU N . 34500 1
44 . 1 . 1 7 7 SER H H 1 8.373 0.001 . . . . . . A 7 SER H . 34500 1
45 . 1 . 1 7 7 SER HA H 1 4.393 0.003 . . . . . . A 7 SER HA . 34500 1
46 . 1 . 1 7 7 SER HB2 H 1 3.862 0.005 . . . . . . A 7 SER HB2 . 34500 1
47 . 1 . 1 7 7 SER HB3 H 1 3.862 0.005 . . . . . . A 7 SER HB3 . 34500 1
48 . 1 . 1 7 7 SER C C 13 177.077 0.003 . . . . . . A 7 SER C . 34500 1
49 . 1 . 1 7 7 SER CA C 13 58.757 0.026 . . . . . . A 7 SER CA . 34500 1
50 . 1 . 1 7 7 SER CB C 13 63.547 0.050 . . . . . . A 7 SER CB . 34500 1
51 . 1 . 1 7 7 SER N N 15 116.105 0.019 . . . . . . A 7 SER N . 34500 1
52 . 1 . 1 8 8 GLU H H 1 8.370 0.002 . . . . . . A 8 GLU H . 34500 1
53 . 1 . 1 8 8 GLU HA H 1 4.251 0.006 . . . . . . A 8 GLU HA . 34500 1
54 . 1 . 1 8 8 GLU HB2 H 1 1.969 0.013 . . . . . . A 8 GLU HB2 . 34500 1
55 . 1 . 1 8 8 GLU HB3 H 1 2.060 0.010 . . . . . . A 8 GLU HB3 . 34500 1
56 . 1 . 1 8 8 GLU HG2 H 1 2.256 0.012 . . . . . . A 8 GLU HG2 . 34500 1
57 . 1 . 1 8 8 GLU HG3 H 1 2.256 0.012 . . . . . . A 8 GLU HG3 . 34500 1
58 . 1 . 1 8 8 GLU C C 13 175.312 0.008 . . . . . . A 8 GLU C . 34500 1
59 . 1 . 1 8 8 GLU CA C 13 56.647 0.018 . . . . . . A 8 GLU CA . 34500 1
60 . 1 . 1 8 8 GLU CB C 13 30.035 0.053 . . . . . . A 8 GLU CB . 34500 1
61 . 1 . 1 8 8 GLU CG C 13 36.300 0.030 . . . . . . A 8 GLU CG . 34500 1
62 . 1 . 1 8 8 GLU N N 15 122.790 0.014 . . . . . . A 8 GLU N . 34500 1
63 . 1 . 1 9 9 GLN H H 1 8.399 0.002 . . . . . . A 9 GLN H . 34500 1
64 . 1 . 1 9 9 GLN HA H 1 4.260 0.007 . . . . . . A 9 GLN HA . 34500 1
65 . 1 . 1 9 9 GLN HB2 H 1 1.950 0.015 . . . . . . A 9 GLN HB2 . 34500 1
66 . 1 . 1 9 9 GLN HB3 H 1 2.031 0.009 . . . . . . A 9 GLN HB3 . 34500 1
67 . 1 . 1 9 9 GLN HG2 H 1 2.327 0.005 . . . . . . A 9 GLN HG2 . 34500 1
68 . 1 . 1 9 9 GLN HG3 H 1 2.327 0.005 . . . . . . A 9 GLN HG3 . 34500 1
69 . 1 . 1 9 9 GLN C C 13 175.971 0.002 . . . . . . A 9 GLN C . 34500 1
70 . 1 . 1 9 9 GLN CA C 13 55.754 0.039 . . . . . . A 9 GLN CA . 34500 1
71 . 1 . 1 9 9 GLN CB C 13 29.080 0.055 . . . . . . A 9 GLN CB . 34500 1
72 . 1 . 1 9 9 GLN CG C 13 33.667 0.058 . . . . . . A 9 GLN CG . 34500 1
73 . 1 . 1 9 9 GLN N N 15 121.373 0.014 . . . . . . A 9 GLN N . 34500 1
74 . 1 . 1 10 10 ARG H H 1 8.400 0.003 . . . . . . A 10 ARG H . 34500 1
75 . 1 . 1 10 10 ARG HA H 1 4.261 0.006 . . . . . . A 10 ARG HA . 34500 1
76 . 1 . 1 10 10 ARG HB2 H 1 1.702 0.009 . . . . . . A 10 ARG HB2 . 34500 1
77 . 1 . 1 10 10 ARG HB3 H 1 1.722 0.004 . . . . . . A 10 ARG HB3 . 34500 1
78 . 1 . 1 10 10 ARG HG2 H 1 1.520 0.009 . . . . . . A 10 ARG HG2 . 34500 1
79 . 1 . 1 10 10 ARG HG3 H 1 1.541 0.005 . . . . . . A 10 ARG HG3 . 34500 1
80 . 1 . 1 10 10 ARG HD2 H 1 3.149 0.004 . . . . . . A 10 ARG HD2 . 34500 1
81 . 1 . 1 10 10 ARG HD3 H 1 3.149 0.004 . . . . . . A 10 ARG HD3 . 34500 1
82 . 1 . 1 10 10 ARG C C 13 175.825 0.010 . . . . . . A 10 ARG C . 34500 1
83 . 1 . 1 10 10 ARG CA C 13 56.003 0.042 . . . . . . A 10 ARG CA . 34500 1
84 . 1 . 1 10 10 ARG CB C 13 30.661 0.055 . . . . . . A 10 ARG CB . 34500 1
85 . 1 . 1 10 10 ARG CG C 13 27.073 0.021 . . . . . . A 10 ARG CG . 34500 1
86 . 1 . 1 10 10 ARG CD C 13 43.125 0.046 . . . . . . A 10 ARG CD . 34500 1
87 . 1 . 1 10 10 ARG N N 15 122.537 0.024 . . . . . . A 10 ARG N . 34500 1
88 . 1 . 1 11 11 HIS H H 1 8.400 0.004 . . . . . . A 11 HIS H . 34500 1
89 . 1 . 1 11 11 HIS HA H 1 4.633 0.003 . . . . . . A 11 HIS HA . 34500 1
90 . 1 . 1 11 11 HIS HB2 H 1 2.979 0.021 . . . . . . A 11 HIS HB2 . 34500 1
91 . 1 . 1 11 11 HIS HB3 H 1 3.088 0.010 . . . . . . A 11 HIS HB3 . 34500 1
92 . 1 . 1 11 11 HIS HD2 H 1 7.035 0.000 . . . . . . A 11 HIS HD2 . 34500 1
93 . 1 . 1 11 11 HIS HE1 H 1 7.969 0.000 . . . . . . A 11 HIS HE1 . 34500 1
94 . 1 . 1 11 11 HIS C C 13 176.899 0.004 . . . . . . A 11 HIS C . 34500 1
95 . 1 . 1 11 11 HIS CA C 13 55.566 0.019 . . . . . . A 11 HIS CA . 34500 1
96 . 1 . 1 11 11 HIS CB C 13 30.820 0.091 . . . . . . A 11 HIS CB . 34500 1
97 . 1 . 1 11 11 HIS CD2 C 13 120.092 0.000 . . . . . . A 11 HIS CD2 . 34500 1
98 . 1 . 1 11 11 HIS CE1 C 13 138.045 0.000 . . . . . . A 11 HIS CE1 . 34500 1
99 . 1 . 1 11 11 HIS N N 15 120.738 0.032 . . . . . . A 11 HIS N . 34500 1
100 . 1 . 1 12 12 ALA H H 1 8.350 0.002 . . . . . . A 12 ALA H . 34500 1
101 . 1 . 1 12 12 ALA HA H 1 4.266 0.005 . . . . . . A 12 ALA HA . 34500 1
102 . 1 . 1 12 12 ALA HB1 H 1 1.268 0.004 . . . . . . A 12 ALA HB1 . 34500 1
103 . 1 . 1 12 12 ALA HB2 H 1 1.268 0.004 . . . . . . A 12 ALA HB2 . 34500 1
104 . 1 . 1 12 12 ALA HB3 H 1 1.268 0.004 . . . . . . A 12 ALA HB3 . 34500 1
105 . 1 . 1 12 12 ALA C C 13 174.525 0.011 . . . . . . A 12 ALA C . 34500 1
106 . 1 . 1 12 12 ALA CA C 13 52.672 0.042 . . . . . . A 12 ALA CA . 34500 1
107 . 1 . 1 12 12 ALA CB C 13 19.137 0.053 . . . . . . A 12 ALA CB . 34500 1
108 . 1 . 1 12 12 ALA N N 15 124.588 0.017 . . . . . . A 12 ALA N . 34500 1
109 . 1 . 1 13 13 HIS H H 1 8.577 0.003 . . . . . . A 13 HIS H . 34500 1
110 . 1 . 1 13 13 HIS HA H 1 4.679 0.006 . . . . . . A 13 HIS HA . 34500 1
111 . 1 . 1 13 13 HIS HB2 H 1 3.062 0.006 . . . . . . A 13 HIS HB2 . 34500 1
112 . 1 . 1 13 13 HIS HB3 H 1 3.062 0.006 . . . . . . A 13 HIS HB3 . 34500 1
113 . 1 . 1 13 13 HIS HD2 H 1 7.035 0.000 . . . . . . A 13 HIS HD2 . 34500 1
114 . 1 . 1 13 13 HIS HE1 H 1 7.969 0.000 . . . . . . A 13 HIS HE1 . 34500 1
115 . 1 . 1 13 13 HIS C C 13 177.983 0.001 . . . . . . A 13 HIS C . 34500 1
116 . 1 . 1 13 13 HIS CA C 13 55.405 0.024 . . . . . . A 13 HIS CA . 34500 1
117 . 1 . 1 13 13 HIS CB C 13 30.732 0.124 . . . . . . A 13 HIS CB . 34500 1
118 . 1 . 1 13 13 HIS CD2 C 13 120.092 0.000 . . . . . . A 13 HIS CD2 . 34500 1
119 . 1 . 1 13 13 HIS CE1 C 13 138.045 0.000 . . . . . . A 13 HIS CE1 . 34500 1
120 . 1 . 1 13 13 HIS N N 15 117.948 0.012 . . . . . . A 13 HIS N . 34500 1
121 . 1 . 1 14 14 GLN H H 1 8.160 0.002 . . . . . . A 14 GLN H . 34500 1
122 . 1 . 1 14 14 GLN HA H 1 5.014 0.008 . . . . . . A 14 GLN HA . 34500 1
123 . 1 . 1 14 14 GLN HB2 H 1 1.725 0.020 . . . . . . A 14 GLN HB2 . 34500 1
124 . 1 . 1 14 14 GLN HB3 H 1 1.816 0.013 . . . . . . A 14 GLN HB3 . 34500 1
125 . 1 . 1 14 14 GLN HG2 H 1 2.059 0.015 . . . . . . A 14 GLN HG2 . 34500 1
126 . 1 . 1 14 14 GLN HG3 H 1 2.167 0.009 . . . . . . A 14 GLN HG3 . 34500 1
127 . 1 . 1 14 14 GLN C C 13 177.108 0.003 . . . . . . A 14 GLN C . 34500 1
128 . 1 . 1 14 14 GLN CA C 13 53.911 0.067 . . . . . . A 14 GLN CA . 34500 1
129 . 1 . 1 14 14 GLN CB C 13 31.920 0.055 . . . . . . A 14 GLN CB . 34500 1
130 . 1 . 1 14 14 GLN CG C 13 34.246 0.025 . . . . . . A 14 GLN CG . 34500 1
131 . 1 . 1 14 14 GLN N N 15 119.813 0.017 . . . . . . A 14 GLN N . 34500 1
132 . 1 . 1 15 15 CYS H H 1 8.997 0.001 . . . . . . A 15 CYS H . 34500 1
133 . 1 . 1 15 15 CYS HA H 1 4.158 0.007 . . . . . . A 15 CYS HA . 34500 1
134 . 1 . 1 15 15 CYS HB2 H 1 2.759 0.005 . . . . . . A 15 CYS HB2 . 34500 1
135 . 1 . 1 15 15 CYS HB3 H 1 3.389 0.005 . . . . . . A 15 CYS HB3 . 34500 1
136 . 1 . 1 15 15 CYS C C 13 173.330 0.016 . . . . . . A 15 CYS C . 34500 1
137 . 1 . 1 15 15 CYS CA C 13 59.484 0.054 . . . . . . A 15 CYS CA . 34500 1
138 . 1 . 1 15 15 CYS CB C 13 30.746 0.048 . . . . . . A 15 CYS CB . 34500 1
139 . 1 . 1 15 15 CYS N N 15 124.705 0.013 . . . . . . A 15 CYS N . 34500 1
140 . 1 . 1 16 16 VAL H H 1 9.106 0.002 . . . . . . A 16 VAL H . 34500 1
141 . 1 . 1 16 16 VAL HA H 1 4.216 0.007 . . . . . . A 16 VAL HA . 34500 1
142 . 1 . 1 16 16 VAL HB H 1 2.624 0.011 . . . . . . A 16 VAL HB . 34500 1
143 . 1 . 1 16 16 VAL HG11 H 1 1.199 0.004 . . . . . . A 16 VAL HG11 . 34500 1
144 . 1 . 1 16 16 VAL HG12 H 1 1.199 0.004 . . . . . . A 16 VAL HG12 . 34500 1
145 . 1 . 1 16 16 VAL HG13 H 1 1.199 0.004 . . . . . . A 16 VAL HG13 . 34500 1
146 . 1 . 1 16 16 VAL HG21 H 1 1.239 0.003 . . . . . . A 16 VAL HG21 . 34500 1
147 . 1 . 1 16 16 VAL HG22 H 1 1.239 0.003 . . . . . . A 16 VAL HG22 . 34500 1
148 . 1 . 1 16 16 VAL HG23 H 1 1.239 0.003 . . . . . . A 16 VAL HG23 . 34500 1
149 . 1 . 1 16 16 VAL C C 13 176.309 0.002 . . . . . . A 16 VAL C . 34500 1
150 . 1 . 1 16 16 VAL CA C 13 64.257 0.065 . . . . . . A 16 VAL CA . 34500 1
151 . 1 . 1 16 16 VAL CB C 13 31.724 0.064 . . . . . . A 16 VAL CB . 34500 1
152 . 1 . 1 16 16 VAL CG1 C 13 20.592 0.025 . . . . . . A 16 VAL CG1 . 34500 1
153 . 1 . 1 16 16 VAL CG2 C 13 21.642 0.013 . . . . . . A 16 VAL CG2 . 34500 1
154 . 1 . 1 16 16 VAL N N 15 129.022 0.021 . . . . . . A 16 VAL N . 34500 1
155 . 1 . 1 17 17 SER H H 1 9.086 0.002 . . . . . . A 17 SER H . 34500 1
156 . 1 . 1 17 17 SER HA H 1 4.892 0.005 . . . . . . A 17 SER HA . 34500 1
157 . 1 . 1 17 17 SER HB2 H 1 4.154 0.007 . . . . . . A 17 SER HB2 . 34500 1
158 . 1 . 1 17 17 SER HB3 H 1 4.317 0.005 . . . . . . A 17 SER HB3 . 34500 1
159 . 1 . 1 17 17 SER C C 13 176.557 0.014 . . . . . . A 17 SER C . 34500 1
160 . 1 . 1 17 17 SER CA C 13 60.512 0.020 . . . . . . A 17 SER CA . 34500 1
161 . 1 . 1 17 17 SER CB C 13 65.131 0.036 . . . . . . A 17 SER CB . 34500 1
162 . 1 . 1 17 17 SER N N 15 119.543 0.017 . . . . . . A 17 SER N . 34500 1
163 . 1 . 1 18 18 CYS H H 1 8.268 0.003 . . . . . . A 18 CYS H . 34500 1
164 . 1 . 1 18 18 CYS HA H 1 5.064 0.003 . . . . . . A 18 CYS HA . 34500 1
165 . 1 . 1 18 18 CYS HB2 H 1 2.511 0.009 . . . . . . A 18 CYS HB2 . 34500 1
166 . 1 . 1 18 18 CYS HB3 H 1 3.191 0.004 . . . . . . A 18 CYS HB3 . 34500 1
167 . 1 . 1 18 18 CYS C C 13 174.883 0.005 . . . . . . A 18 CYS C . 34500 1
168 . 1 . 1 18 18 CYS CA C 13 59.076 0.046 . . . . . . A 18 CYS CA . 34500 1
169 . 1 . 1 18 18 CYS CB C 13 32.632 0.036 . . . . . . A 18 CYS CB . 34500 1
170 . 1 . 1 18 18 CYS N N 15 119.796 0.020 . . . . . . A 18 CYS N . 34500 1
171 . 1 . 1 19 19 GLY H H 1 8.049 0.002 . . . . . . A 19 GLY H . 34500 1
172 . 1 . 1 19 19 GLY HA2 H 1 3.865 0.008 . . . . . . A 19 GLY HA2 . 34500 1
173 . 1 . 1 19 19 GLY HA3 H 1 4.252 0.005 . . . . . . A 19 GLY HA3 . 34500 1
174 . 1 . 1 19 19 GLY C C 13 178.165 0.002 . . . . . . A 19 GLY C . 34500 1
175 . 1 . 1 19 19 GLY CA C 13 46.064 0.022 . . . . . . A 19 GLY CA . 34500 1
176 . 1 . 1 19 19 GLY N N 15 112.999 0.056 . . . . . . A 19 GLY N . 34500 1
177 . 1 . 1 20 20 ILE H H 1 8.340 0.001 . . . . . . A 20 ILE H . 34500 1
178 . 1 . 1 20 20 ILE HA H 1 4.211 0.006 . . . . . . A 20 ILE HA . 34500 1
179 . 1 . 1 20 20 ILE HB H 1 2.112 0.008 . . . . . . A 20 ILE HB . 34500 1
180 . 1 . 1 20 20 ILE HG12 H 1 1.508 0.002 . . . . . . A 20 ILE HG12 . 34500 1
181 . 1 . 1 20 20 ILE HG13 H 1 1.508 0.002 . . . . . . A 20 ILE HG13 . 34500 1
182 . 1 . 1 20 20 ILE HG21 H 1 0.949 0.005 . . . . . . A 20 ILE HG21 . 34500 1
183 . 1 . 1 20 20 ILE HG22 H 1 0.949 0.005 . . . . . . A 20 ILE HG22 . 34500 1
184 . 1 . 1 20 20 ILE HG23 H 1 0.949 0.005 . . . . . . A 20 ILE HG23 . 34500 1
185 . 1 . 1 20 20 ILE HD11 H 1 0.957 0.009 . . . . . . A 20 ILE HD11 . 34500 1
186 . 1 . 1 20 20 ILE HD12 H 1 0.957 0.009 . . . . . . A 20 ILE HD12 . 34500 1
187 . 1 . 1 20 20 ILE HD13 H 1 0.957 0.009 . . . . . . A 20 ILE HD13 . 34500 1
188 . 1 . 1 20 20 ILE C C 13 177.182 0.001 . . . . . . A 20 ILE C . 34500 1
189 . 1 . 1 20 20 ILE CA C 13 62.116 0.041 . . . . . . A 20 ILE CA . 34500 1
190 . 1 . 1 20 20 ILE CB C 13 39.222 0.060 . . . . . . A 20 ILE CB . 34500 1
191 . 1 . 1 20 20 ILE CG1 C 13 28.262 0.061 . . . . . . A 20 ILE CG1 . 34500 1
192 . 1 . 1 20 20 ILE CG2 C 13 18.035 0.019 . . . . . . A 20 ILE CG2 . 34500 1
193 . 1 . 1 20 20 ILE CD1 C 13 14.412 0.025 . . . . . . A 20 ILE CD1 . 34500 1
194 . 1 . 1 20 20 ILE N N 15 122.722 0.009 . . . . . . A 20 ILE N . 34500 1
195 . 1 . 1 21 21 ASN H H 1 8.436 0.003 . . . . . . A 21 ASN H . 34500 1
196 . 1 . 1 21 21 ASN HA H 1 4.825 0.009 . . . . . . A 21 ASN HA . 34500 1
197 . 1 . 1 21 21 ASN HB2 H 1 2.733 0.008 . . . . . . A 21 ASN HB2 . 34500 1
198 . 1 . 1 21 21 ASN HB3 H 1 2.733 0.008 . . . . . . A 21 ASN HB3 . 34500 1
199 . 1 . 1 21 21 ASN C C 13 175.794 0.001 . . . . . . A 21 ASN C . 34500 1
200 . 1 . 1 21 21 ASN CA C 13 54.029 0.045 . . . . . . A 21 ASN CA . 34500 1
201 . 1 . 1 21 21 ASN CB C 13 38.426 0.049 . . . . . . A 21 ASN CB . 34500 1
202 . 1 . 1 21 21 ASN N N 15 122.688 0.026 . . . . . . A 21 ASN N . 34500 1
203 . 1 . 1 22 22 ILE H H 1 8.444 0.002 . . . . . . A 22 ILE H . 34500 1
204 . 1 . 1 22 22 ILE HA H 1 4.297 0.009 . . . . . . A 22 ILE HA . 34500 1
205 . 1 . 1 22 22 ILE HB H 1 1.891 0.009 . . . . . . A 22 ILE HB . 34500 1
206 . 1 . 1 22 22 ILE HG12 H 1 0.873 0.004 . . . . . . A 22 ILE HG12 . 34500 1
207 . 1 . 1 22 22 ILE HG13 H 1 1.283 0.006 . . . . . . A 22 ILE HG13 . 34500 1
208 . 1 . 1 22 22 ILE HG21 H 1 0.814 0.006 . . . . . . A 22 ILE HG21 . 34500 1
209 . 1 . 1 22 22 ILE HG22 H 1 0.814 0.006 . . . . . . A 22 ILE HG22 . 34500 1
210 . 1 . 1 22 22 ILE HG23 H 1 0.814 0.006 . . . . . . A 22 ILE HG23 . 34500 1
211 . 1 . 1 22 22 ILE HD11 H 1 0.593 0.009 . . . . . . A 22 ILE HD11 . 34500 1
212 . 1 . 1 22 22 ILE HD12 H 1 0.593 0.009 . . . . . . A 22 ILE HD12 . 34500 1
213 . 1 . 1 22 22 ILE HD13 H 1 0.593 0.009 . . . . . . A 22 ILE HD13 . 34500 1
214 . 1 . 1 22 22 ILE C C 13 175.981 0.004 . . . . . . A 22 ILE C . 34500 1
215 . 1 . 1 22 22 ILE CA C 13 60.494 0.062 . . . . . . A 22 ILE CA . 34500 1
216 . 1 . 1 22 22 ILE CB C 13 38.507 0.067 . . . . . . A 22 ILE CB . 34500 1
217 . 1 . 1 22 22 ILE CG1 C 13 26.903 0.032 . . . . . . A 22 ILE CG1 . 34500 1
218 . 1 . 1 22 22 ILE CG2 C 13 18.750 0.034 . . . . . . A 22 ILE CG2 . 34500 1
219 . 1 . 1 22 22 ILE CD1 C 13 13.788 0.036 . . . . . . A 22 ILE CD1 . 34500 1
220 . 1 . 1 22 22 ILE N N 15 122.060 0.033 . . . . . . A 22 ILE N . 34500 1
221 . 1 . 1 23 23 ALA H H 1 8.465 0.002 . . . . . . A 23 ALA H . 34500 1
222 . 1 . 1 23 23 ALA HA H 1 4.275 0.007 . . . . . . A 23 ALA HA . 34500 1
223 . 1 . 1 23 23 ALA HB1 H 1 1.393 0.005 . . . . . . A 23 ALA HB1 . 34500 1
224 . 1 . 1 23 23 ALA HB2 H 1 1.393 0.005 . . . . . . A 23 ALA HB2 . 34500 1
225 . 1 . 1 23 23 ALA HB3 H 1 1.393 0.005 . . . . . . A 23 ALA HB3 . 34500 1
226 . 1 . 1 23 23 ALA C C 13 173.261 0.014 . . . . . . A 23 ALA C . 34500 1
227 . 1 . 1 23 23 ALA CA C 13 53.094 0.072 . . . . . . A 23 ALA CA . 34500 1
228 . 1 . 1 23 23 ALA CB C 13 18.820 0.052 . . . . . . A 23 ALA CB . 34500 1
229 . 1 . 1 23 23 ALA N N 15 128.183 0.030 . . . . . . A 23 ALA N . 34500 1
230 . 1 . 1 24 24 GLY H H 1 8.749 0.005 . . . . . . A 24 GLY H . 34500 1
231 . 1 . 1 24 24 GLY HA2 H 1 3.844 0.008 . . . . . . A 24 GLY HA2 . 34500 1
232 . 1 . 1 24 24 GLY HA3 H 1 4.002 0.007 . . . . . . A 24 GLY HA3 . 34500 1
233 . 1 . 1 24 24 GLY C C 13 177.344 0.013 . . . . . . A 24 GLY C . 34500 1
234 . 1 . 1 24 24 GLY CA C 13 45.646 0.039 . . . . . . A 24 GLY CA . 34500 1
235 . 1 . 1 24 24 GLY N N 15 109.906 0.013 . . . . . . A 24 GLY N . 34500 1
236 . 1 . 1 25 25 MET H H 1 8.204 0.003 . . . . . . A 25 MET H . 34500 1
237 . 1 . 1 25 25 MET HA H 1 4.560 0.004 . . . . . . A 25 MET HA . 34500 1
238 . 1 . 1 25 25 MET HB2 H 1 2.021 0.006 . . . . . . A 25 MET HB2 . 34500 1
239 . 1 . 1 25 25 MET HB3 H 1 2.140 0.014 . . . . . . A 25 MET HB3 . 34500 1
240 . 1 . 1 25 25 MET HG2 H 1 2.500 0.015 . . . . . . A 25 MET HG2 . 34500 1
241 . 1 . 1 25 25 MET HG3 H 1 2.564 0.011 . . . . . . A 25 MET HG3 . 34500 1
242 . 1 . 1 25 25 MET C C 13 175.597 0.007 . . . . . . A 25 MET C . 34500 1
243 . 1 . 1 25 25 MET CA C 13 55.213 0.025 . . . . . . A 25 MET CA . 34500 1
244 . 1 . 1 25 25 MET CB C 13 32.707 0.037 . . . . . . A 25 MET CB . 34500 1
245 . 1 . 1 25 25 MET CG C 13 32.038 0.030 . . . . . . A 25 MET CG . 34500 1
246 . 1 . 1 25 25 MET N N 15 119.270 0.024 . . . . . . A 25 MET N . 34500 1
247 . 1 . 1 26 26 SER H H 1 8.558 0.004 . . . . . . A 26 SER H . 34500 1
248 . 1 . 1 26 26 SER HA H 1 4.415 0.008 . . . . . . A 26 SER HA . 34500 1
249 . 1 . 1 26 26 SER HB2 H 1 3.893 0.006 . . . . . . A 26 SER HB2 . 34500 1
250 . 1 . 1 26 26 SER HB3 H 1 3.893 0.006 . . . . . . A 26 SER HB3 . 34500 1
251 . 1 . 1 26 26 SER C C 13 177.547 0.000 . . . . . . A 26 SER C . 34500 1
252 . 1 . 1 26 26 SER CA C 13 58.552 0.052 . . . . . . A 26 SER CA . 34500 1
253 . 1 . 1 26 26 SER CB C 13 63.289 0.113 . . . . . . A 26 SER CB . 34500 1
254 . 1 . 1 26 26 SER N N 15 117.178 0.028 . . . . . . A 26 SER N . 34500 1
255 . 1 . 1 27 27 ALA H H 1 8.368 0.002 . . . . . . A 27 ALA H . 34500 1
256 . 1 . 1 27 27 ALA HA H 1 4.387 0.005 . . . . . . A 27 ALA HA . 34500 1
257 . 1 . 1 27 27 ALA HB1 H 1 1.317 0.005 . . . . . . A 27 ALA HB1 . 34500 1
258 . 1 . 1 27 27 ALA HB2 H 1 1.317 0.005 . . . . . . A 27 ALA HB2 . 34500 1
259 . 1 . 1 27 27 ALA HB3 H 1 1.317 0.005 . . . . . . A 27 ALA HB3 . 34500 1
260 . 1 . 1 27 27 ALA C C 13 175.352 0.010 . . . . . . A 27 ALA C . 34500 1
261 . 1 . 1 27 27 ALA CA C 13 52.214 0.040 . . . . . . A 27 ALA CA . 34500 1
262 . 1 . 1 27 27 ALA CB C 13 19.657 0.062 . . . . . . A 27 ALA CB . 34500 1
263 . 1 . 1 27 27 ALA N N 15 125.699 0.022 . . . . . . A 27 ALA N . 34500 1
264 . 1 . 1 28 28 ALA H H 1 8.326 0.003 . . . . . . A 28 ALA H . 34500 1
265 . 1 . 1 28 28 ALA HA H 1 4.541 0.008 . . . . . . A 28 ALA HA . 34500 1
266 . 1 . 1 28 28 ALA HB1 H 1 1.394 0.007 . . . . . . A 28 ALA HB1 . 34500 1
267 . 1 . 1 28 28 ALA HB2 H 1 1.394 0.007 . . . . . . A 28 ALA HB2 . 34500 1
268 . 1 . 1 28 28 ALA HB3 H 1 1.394 0.007 . . . . . . A 28 ALA HB3 . 34500 1
269 . 1 . 1 28 28 ALA C C 13 174.575 0.006 . . . . . . A 28 ALA C . 34500 1
270 . 1 . 1 28 28 ALA CA C 13 51.937 0.042 . . . . . . A 28 ALA CA . 34500 1
271 . 1 . 1 28 28 ALA CB C 13 19.880 0.093 . . . . . . A 28 ALA CB . 34500 1
272 . 1 . 1 28 28 ALA N N 15 122.695 0.021 . . . . . . A 28 ALA N . 34500 1
273 . 1 . 1 29 29 THR H H 1 8.201 0.002 . . . . . . A 29 THR H . 34500 1
274 . 1 . 1 29 29 THR HA H 1 4.912 0.008 . . . . . . A 29 THR HA . 34500 1
275 . 1 . 1 29 29 THR HB H 1 3.902 0.006 . . . . . . A 29 THR HB . 34500 1
276 . 1 . 1 29 29 THR HG21 H 1 1.043 0.006 . . . . . . A 29 THR HG21 . 34500 1
277 . 1 . 1 29 29 THR HG22 H 1 1.043 0.006 . . . . . . A 29 THR HG22 . 34500 1
278 . 1 . 1 29 29 THR HG23 H 1 1.043 0.006 . . . . . . A 29 THR HG23 . 34500 1
279 . 1 . 1 29 29 THR C C 13 178.204 0.004 . . . . . . A 29 THR C . 34500 1
280 . 1 . 1 29 29 THR CA C 13 61.754 0.028 . . . . . . A 29 THR CA . 34500 1
281 . 1 . 1 29 29 THR CB C 13 70.548 0.022 . . . . . . A 29 THR CB . 34500 1
282 . 1 . 1 29 29 THR CG2 C 13 21.701 0.027 . . . . . . A 29 THR CG2 . 34500 1
283 . 1 . 1 29 29 THR N N 15 115.936 0.012 . . . . . . A 29 THR N . 34500 1
284 . 1 . 1 30 30 PHE H H 1 8.998 0.002 . . . . . . A 30 PHE H . 34500 1
285 . 1 . 1 30 30 PHE HA H 1 4.814 0.007 . . . . . . A 30 PHE HA . 34500 1
286 . 1 . 1 30 30 PHE HB2 H 1 3.005 0.020 . . . . . . A 30 PHE HB2 . 34500 1
287 . 1 . 1 30 30 PHE HB3 H 1 3.075 0.017 . . . . . . A 30 PHE HB3 . 34500 1
288 . 1 . 1 30 30 PHE HD1 H 1 7.023 0.000 . . . . . . A 30 PHE HD1 . 34500 1
289 . 1 . 1 30 30 PHE HD2 H 1 7.023 0.000 . . . . . . A 30 PHE HD2 . 34500 1
290 . 1 . 1 30 30 PHE HE1 H 1 6.894 0.000 . . . . . . A 30 PHE HE1 . 34500 1
291 . 1 . 1 30 30 PHE HE2 H 1 6.894 0.000 . . . . . . A 30 PHE HE2 . 34500 1
292 . 1 . 1 30 30 PHE HZ H 1 6.329 0.000 . . . . . . A 30 PHE HZ . 34500 1
293 . 1 . 1 30 30 PHE C C 13 179.675 0.014 . . . . . . A 30 PHE C . 34500 1
294 . 1 . 1 30 30 PHE CA C 13 55.966 0.013 . . . . . . A 30 PHE CA . 34500 1
295 . 1 . 1 30 30 PHE CB C 13 40.554 0.046 . . . . . . A 30 PHE CB . 34500 1
296 . 1 . 1 30 30 PHE CD1 C 13 132.527 0.000 . . . . . . A 30 PHE CD1 . 34500 1
297 . 1 . 1 30 30 PHE CE2 C 13 130.651 0.000 . . . . . . A 30 PHE CE2 . 34500 1
298 . 1 . 1 30 30 PHE CZ C 13 129.069 0.000 . . . . . . A 30 PHE CZ . 34500 1
299 . 1 . 1 30 30 PHE N N 15 124.843 0.021 . . . . . . A 30 PHE N . 34500 1
300 . 1 . 1 31 31 LYS H H 1 8.241 0.003 . . . . . . A 31 LYS H . 34500 1
301 . 1 . 1 31 31 LYS HA H 1 4.506 0.009 . . . . . . A 31 LYS HA . 34500 1
302 . 1 . 1 31 31 LYS HB2 H 1 1.352 0.013 . . . . . . A 31 LYS HB2 . 34500 1
303 . 1 . 1 31 31 LYS HB3 H 1 1.460 0.033 . . . . . . A 31 LYS HB3 . 34500 1
304 . 1 . 1 31 31 LYS HG2 H 1 1.187 0.005 . . . . . . A 31 LYS HG2 . 34500 1
305 . 1 . 1 31 31 LYS HG3 H 1 1.355 0.004 . . . . . . A 31 LYS HG3 . 34500 1
306 . 1 . 1 31 31 LYS HD2 H 1 1.547 0.000 . . . . . . A 31 LYS HD2 . 34500 1
307 . 1 . 1 31 31 LYS HD3 H 1 1.547 0.000 . . . . . . A 31 LYS HD3 . 34500 1
308 . 1 . 1 31 31 LYS HE2 H 1 2.965 0.017 . . . . . . A 31 LYS HE2 . 34500 1
309 . 1 . 1 31 31 LYS HE3 H 1 2.965 0.017 . . . . . . A 31 LYS HE3 . 34500 1
310 . 1 . 1 31 31 LYS C C 13 176.509 0.016 . . . . . . A 31 LYS C . 34500 1
311 . 1 . 1 31 31 LYS CA C 13 54.035 0.018 . . . . . . A 31 LYS CA . 34500 1
312 . 1 . 1 31 31 LYS CB C 13 33.781 0.046 . . . . . . A 31 LYS CB . 34500 1
313 . 1 . 1 31 31 LYS CG C 13 25.029 0.018 . . . . . . A 31 LYS CG . 34500 1
314 . 1 . 1 31 31 LYS CD C 13 28.957 0.000 . . . . . . A 31 LYS CD . 34500 1
315 . 1 . 1 31 31 LYS CE C 13 41.844 0.104 . . . . . . A 31 LYS CE . 34500 1
316 . 1 . 1 31 31 LYS N N 15 120.224 0.019 . . . . . . A 31 LYS N . 34500 1
317 . 1 . 1 32 32 CYS H H 1 9.136 0.002 . . . . . . A 32 CYS H . 34500 1
318 . 1 . 1 32 32 CYS HA H 1 4.333 0.010 . . . . . . A 32 CYS HA . 34500 1
319 . 1 . 1 32 32 CYS HB2 H 1 3.112 0.005 . . . . . . A 32 CYS HB2 . 34500 1
320 . 1 . 1 32 32 CYS HB3 H 1 3.112 0.005 . . . . . . A 32 CYS HB3 . 34500 1
321 . 1 . 1 32 32 CYS C C 13 174.978 0.000 . . . . . . A 32 CYS C . 34500 1
322 . 1 . 1 32 32 CYS CA C 13 57.443 0.074 . . . . . . A 32 CYS CA . 34500 1
323 . 1 . 1 32 32 CYS CB C 13 31.679 0.060 . . . . . . A 32 CYS CB . 34500 1
324 . 1 . 1 32 32 CYS N N 15 127.311 0.046 . . . . . . A 32 CYS N . 34500 1
325 . 1 . 1 33 33 PRO HA H 1 4.131 0.006 . . . . . . A 33 PRO HA . 34500 1
326 . 1 . 1 33 33 PRO HB2 H 1 1.394 0.005 . . . . . . A 33 PRO HB2 . 34500 1
327 . 1 . 1 33 33 PRO HB3 H 1 2.202 0.006 . . . . . . A 33 PRO HB3 . 34500 1
328 . 1 . 1 33 33 PRO HG2 H 1 1.745 0.012 . . . . . . A 33 PRO HG2 . 34500 1
329 . 1 . 1 33 33 PRO HG3 H 1 1.926 0.007 . . . . . . A 33 PRO HG3 . 34500 1
330 . 1 . 1 33 33 PRO HD2 H 1 3.791 0.003 . . . . . . A 33 PRO HD2 . 34500 1
331 . 1 . 1 33 33 PRO HD3 H 1 4.087 0.005 . . . . . . A 33 PRO HD3 . 34500 1
332 . 1 . 1 33 33 PRO C C 13 175.884 0.003 . . . . . . A 33 PRO C . 34500 1
333 . 1 . 1 33 33 PRO CA C 13 64.356 0.056 . . . . . . A 33 PRO CA . 34500 1
334 . 1 . 1 33 33 PRO CB C 13 32.559 0.070 . . . . . . A 33 PRO CB . 34500 1
335 . 1 . 1 33 33 PRO CG C 13 27.363 0.014 . . . . . . A 33 PRO CG . 34500 1
336 . 1 . 1 33 33 PRO CD C 13 52.235 0.019 . . . . . . A 33 PRO CD . 34500 1
337 . 1 . 1 34 34 ASP H H 1 8.632 0.003 . . . . . . A 34 ASP H . 34500 1
338 . 1 . 1 34 34 ASP HA H 1 4.698 0.004 . . . . . . A 34 ASP HA . 34500 1
339 . 1 . 1 34 34 ASP HB2 H 1 2.143 0.004 . . . . . . A 34 ASP HB2 . 34500 1
340 . 1 . 1 34 34 ASP HB3 H 1 2.917 0.006 . . . . . . A 34 ASP HB3 . 34500 1
341 . 1 . 1 34 34 ASP C C 13 174.221 0.013 . . . . . . A 34 ASP C . 34500 1
342 . 1 . 1 34 34 ASP CA C 13 55.309 0.027 . . . . . . A 34 ASP CA . 34500 1
343 . 1 . 1 34 34 ASP CB C 13 42.880 0.065 . . . . . . A 34 ASP CB . 34500 1
344 . 1 . 1 34 34 ASP N N 15 121.286 0.024 . . . . . . A 34 ASP N . 34500 1
345 . 1 . 1 35 35 CYS H H 1 8.735 0.003 . . . . . . A 35 CYS H . 34500 1
346 . 1 . 1 35 35 CYS HA H 1 4.923 0.003 . . . . . . A 35 CYS HA . 34500 1
347 . 1 . 1 35 35 CYS HB2 H 1 2.735 0.005 . . . . . . A 35 CYS HB2 . 34500 1
348 . 1 . 1 35 35 CYS HB3 H 1 3.225 0.007 . . . . . . A 35 CYS HB3 . 34500 1
349 . 1 . 1 35 35 CYS C C 13 174.183 0.005 . . . . . . A 35 CYS C . 34500 1
350 . 1 . 1 35 35 CYS CA C 13 59.236 0.031 . . . . . . A 35 CYS CA . 34500 1
351 . 1 . 1 35 35 CYS CB C 13 32.519 0.040 . . . . . . A 35 CYS CB . 34500 1
352 . 1 . 1 35 35 CYS N N 15 119.202 0.016 . . . . . . A 35 CYS N . 34500 1
353 . 1 . 1 36 36 GLY H H 1 8.039 0.002 . . . . . . A 36 GLY H . 34500 1
354 . 1 . 1 36 36 GLY HA2 H 1 3.749 0.008 . . . . . . A 36 GLY HA2 . 34500 1
355 . 1 . 1 36 36 GLY HA3 H 1 4.191 0.014 . . . . . . A 36 GLY HA3 . 34500 1
356 . 1 . 1 36 36 GLY C C 13 178.533 0.010 . . . . . . A 36 GLY C . 34500 1
357 . 1 . 1 36 36 GLY CA C 13 46.097 0.029 . . . . . . A 36 GLY CA . 34500 1
358 . 1 . 1 36 36 GLY N N 15 112.816 0.033 . . . . . . A 36 GLY N . 34500 1
359 . 1 . 1 37 37 GLN H H 1 8.683 0.007 . . . . . . A 37 GLN H . 34500 1
360 . 1 . 1 37 37 GLN HA H 1 4.188 0.004 . . . . . . A 37 GLN HA . 34500 1
361 . 1 . 1 37 37 GLN HB2 H 1 2.021 0.001 . . . . . . A 37 GLN HB2 . 34500 1
362 . 1 . 1 37 37 GLN HB3 H 1 2.151 0.012 . . . . . . A 37 GLN HB3 . 34500 1
363 . 1 . 1 37 37 GLN HG2 H 1 2.411 0.013 . . . . . . A 37 GLN HG2 . 34500 1
364 . 1 . 1 37 37 GLN HG3 H 1 2.480 0.011 . . . . . . A 37 GLN HG3 . 34500 1
365 . 1 . 1 37 37 GLN C C 13 176.544 0.009 . . . . . . A 37 GLN C . 34500 1
366 . 1 . 1 37 37 GLN CA C 13 55.990 0.055 . . . . . . A 37 GLN CA . 34500 1
367 . 1 . 1 37 37 GLN CB C 13 29.927 0.053 . . . . . . A 37 GLN CB . 34500 1
368 . 1 . 1 37 37 GLN CG C 13 34.088 0.084 . . . . . . A 37 GLN CG . 34500 1
369 . 1 . 1 37 37 GLN N N 15 123.235 0.038 . . . . . . A 37 GLN N . 34500 1
370 . 1 . 1 38 38 GLU H H 1 8.648 0.002 . . . . . . A 38 GLU H . 34500 1
371 . 1 . 1 38 38 GLU HA H 1 4.313 0.005 . . . . . . A 38 GLU HA . 34500 1
372 . 1 . 1 38 38 GLU HB2 H 1 1.794 0.017 . . . . . . A 38 GLU HB2 . 34500 1
373 . 1 . 1 38 38 GLU HB3 H 1 1.864 0.011 . . . . . . A 38 GLU HB3 . 34500 1
374 . 1 . 1 38 38 GLU HG2 H 1 1.983 0.005 . . . . . . A 38 GLU HG2 . 34500 1
375 . 1 . 1 38 38 GLU HG3 H 1 2.234 0.006 . . . . . . A 38 GLU HG3 . 34500 1
376 . 1 . 1 38 38 GLU C C 13 176.020 0.004 . . . . . . A 38 GLU C . 34500 1
377 . 1 . 1 38 38 GLU CA C 13 57.309 0.075 . . . . . . A 38 GLU CA . 34500 1
378 . 1 . 1 38 38 GLU CB C 13 30.164 0.069 . . . . . . A 38 GLU CB . 34500 1
379 . 1 . 1 38 38 GLU CG C 13 37.299 0.023 . . . . . . A 38 GLU CG . 34500 1
380 . 1 . 1 38 38 GLU N N 15 123.274 0.022 . . . . . . A 38 GLU N . 34500 1
381 . 1 . 1 39 39 ILE H H 1 8.978 0.002 . . . . . . A 39 ILE H . 34500 1
382 . 1 . 1 39 39 ILE HA H 1 4.171 0.009 . . . . . . A 39 ILE HA . 34500 1
383 . 1 . 1 39 39 ILE HB H 1 1.039 0.011 . . . . . . A 39 ILE HB . 34500 1
384 . 1 . 1 39 39 ILE HG12 H 1 0.873 0.004 . . . . . . A 39 ILE HG12 . 34500 1
385 . 1 . 1 39 39 ILE HG13 H 1 1.285 0.005 . . . . . . A 39 ILE HG13 . 34500 1
386 . 1 . 1 39 39 ILE HG21 H 1 0.685 0.009 . . . . . . A 39 ILE HG21 . 34500 1
387 . 1 . 1 39 39 ILE HG22 H 1 0.685 0.009 . . . . . . A 39 ILE HG22 . 34500 1
388 . 1 . 1 39 39 ILE HG23 H 1 0.685 0.009 . . . . . . A 39 ILE HG23 . 34500 1
389 . 1 . 1 39 39 ILE HD11 H 1 0.907 0.002 . . . . . . A 39 ILE HD11 . 34500 1
390 . 1 . 1 39 39 ILE HD12 H 1 0.907 0.002 . . . . . . A 39 ILE HD12 . 34500 1
391 . 1 . 1 39 39 ILE HD13 H 1 0.907 0.002 . . . . . . A 39 ILE HD13 . 34500 1
392 . 1 . 1 39 39 ILE C C 13 177.498 0.007 . . . . . . A 39 ILE C . 34500 1
393 . 1 . 1 39 39 ILE CA C 13 60.277 0.016 . . . . . . A 39 ILE CA . 34500 1
394 . 1 . 1 39 39 ILE CB C 13 40.558 0.109 . . . . . . A 39 ILE CB . 34500 1
395 . 1 . 1 39 39 ILE CG1 C 13 26.903 0.032 . . . . . . A 39 ILE CG1 . 34500 1
396 . 1 . 1 39 39 ILE CG2 C 13 18.729 0.033 . . . . . . A 39 ILE CG2 . 34500 1
397 . 1 . 1 39 39 ILE CD1 C 13 13.848 0.044 . . . . . . A 39 ILE CD1 . 34500 1
398 . 1 . 1 39 39 ILE N N 15 126.393 0.010 . . . . . . A 39 ILE N . 34500 1
399 . 1 . 1 40 40 SER H H 1 8.588 0.002 . . . . . . A 40 SER H . 34500 1
400 . 1 . 1 40 40 SER HA H 1 5.105 0.008 . . . . . . A 40 SER HA . 34500 1
401 . 1 . 1 40 40 SER HB2 H 1 3.490 0.007 . . . . . . A 40 SER HB2 . 34500 1
402 . 1 . 1 40 40 SER HB3 H 1 3.646 0.008 . . . . . . A 40 SER HB3 . 34500 1
403 . 1 . 1 40 40 SER C C 13 179.004 0.006 . . . . . . A 40 SER C . 34500 1
404 . 1 . 1 40 40 SER CA C 13 57.735 0.044 . . . . . . A 40 SER CA . 34500 1
405 . 1 . 1 40 40 SER CB C 13 64.842 0.107 . . . . . . A 40 SER CB . 34500 1
406 . 1 . 1 40 40 SER N N 15 120.166 0.032 . . . . . . A 40 SER N . 34500 1
407 . 1 . 1 41 41 ARG H H 1 8.572 0.002 . . . . . . A 41 ARG H . 34500 1
408 . 1 . 1 41 41 ARG HA H 1 5.751 0.007 . . . . . . A 41 ARG HA . 34500 1
409 . 1 . 1 41 41 ARG HB2 H 1 1.500 0.018 . . . . . . A 41 ARG HB2 . 34500 1
410 . 1 . 1 41 41 ARG HB3 H 1 1.771 0.004 . . . . . . A 41 ARG HB3 . 34500 1
411 . 1 . 1 41 41 ARG HG2 H 1 1.578 0.004 . . . . . . A 41 ARG HG2 . 34500 1
412 . 1 . 1 41 41 ARG HG3 H 1 1.578 0.004 . . . . . . A 41 ARG HG3 . 34500 1
413 . 1 . 1 41 41 ARG C C 13 176.431 0.011 . . . . . . A 41 ARG C . 34500 1
414 . 1 . 1 41 41 ARG CA C 13 54.419 0.077 . . . . . . A 41 ARG CA . 34500 1
415 . 1 . 1 41 41 ARG CB C 13 34.853 0.051 . . . . . . A 41 ARG CB . 34500 1
416 . 1 . 1 41 41 ARG CG C 13 28.605 0.027 . . . . . . A 41 ARG CG . 34500 1
417 . 1 . 1 41 41 ARG CD C 13 43.958 0.000 . . . . . . A 41 ARG CD . 34500 1
418 . 1 . 1 41 41 ARG N N 15 123.233 0.019 . . . . . . A 41 ARG N . 34500 1
419 . 1 . 1 42 42 CYS H H 1 10.002 0.003 . . . . . . A 42 CYS H . 34500 1
420 . 1 . 1 42 42 CYS HA H 1 4.702 0.008 . . . . . . A 42 CYS HA . 34500 1
421 . 1 . 1 42 42 CYS HB2 H 1 2.721 0.009 . . . . . . A 42 CYS HB2 . 34500 1
422 . 1 . 1 42 42 CYS HB3 H 1 3.528 0.006 . . . . . . A 42 CYS HB3 . 34500 1
423 . 1 . 1 42 42 CYS C C 13 177.146 0.003 . . . . . . A 42 CYS C . 34500 1
424 . 1 . 1 42 42 CYS CA C 13 58.247 0.053 . . . . . . A 42 CYS CA . 34500 1
425 . 1 . 1 42 42 CYS CB C 13 31.534 0.048 . . . . . . A 42 CYS CB . 34500 1
426 . 1 . 1 42 42 CYS N N 15 127.371 0.024 . . . . . . A 42 CYS N . 34500 1
427 . 1 . 1 43 43 SER H H 1 8.713 0.002 . . . . . . A 43 SER H . 34500 1
428 . 1 . 1 43 43 SER HA H 1 4.021 0.014 . . . . . . A 43 SER HA . 34500 1
429 . 1 . 1 43 43 SER HB2 H 1 3.962 0.006 . . . . . . A 43 SER HB2 . 34500 1
430 . 1 . 1 43 43 SER HB3 H 1 3.962 0.006 . . . . . . A 43 SER HB3 . 34500 1
431 . 1 . 1 43 43 SER C C 13 175.538 0.030 . . . . . . A 43 SER C . 34500 1
432 . 1 . 1 43 43 SER CA C 13 61.748 0.049 . . . . . . A 43 SER CA . 34500 1
433 . 1 . 1 43 43 SER CB C 13 62.603 0.026 . . . . . . A 43 SER CB . 34500 1
434 . 1 . 1 43 43 SER N N 15 114.806 0.024 . . . . . . A 43 SER N . 34500 1
435 . 1 . 1 44 44 LYS H H 1 8.092 0.002 . . . . . . A 44 LYS H . 34500 1
436 . 1 . 1 44 44 LYS HA H 1 4.078 0.007 . . . . . . A 44 LYS HA . 34500 1
437 . 1 . 1 44 44 LYS HB2 H 1 1.958 0.012 . . . . . . A 44 LYS HB2 . 34500 1
438 . 1 . 1 44 44 LYS HB3 H 1 2.039 0.007 . . . . . . A 44 LYS HB3 . 34500 1
439 . 1 . 1 44 44 LYS HG2 H 1 1.352 0.006 . . . . . . A 44 LYS HG2 . 34500 1
440 . 1 . 1 44 44 LYS HG3 H 1 1.490 0.010 . . . . . . A 44 LYS HG3 . 34500 1
441 . 1 . 1 44 44 LYS HD2 H 1 1.695 0.005 . . . . . . A 44 LYS HD2 . 34500 1
442 . 1 . 1 44 44 LYS HD3 H 1 1.695 0.005 . . . . . . A 44 LYS HD3 . 34500 1
443 . 1 . 1 44 44 LYS HE2 H 1 2.974 0.006 . . . . . . A 44 LYS HE2 . 34500 1
444 . 1 . 1 44 44 LYS HE3 H 1 2.974 0.006 . . . . . . A 44 LYS HE3 . 34500 1
445 . 1 . 1 44 44 LYS C C 13 172.822 0.008 . . . . . . A 44 LYS C . 34500 1
446 . 1 . 1 44 44 LYS CA C 13 60.116 0.057 . . . . . . A 44 LYS CA . 34500 1
447 . 1 . 1 44 44 LYS CB C 13 32.460 0.024 . . . . . . A 44 LYS CB . 34500 1
448 . 1 . 1 44 44 LYS CG C 13 25.239 0.027 . . . . . . A 44 LYS CG . 34500 1
449 . 1 . 1 44 44 LYS CD C 13 29.121 0.069 . . . . . . A 44 LYS CD . 34500 1
450 . 1 . 1 44 44 LYS CE C 13 41.844 0.104 . . . . . . A 44 LYS CE . 34500 1
451 . 1 . 1 44 44 LYS N N 15 124.719 0.027 . . . . . . A 44 LYS N . 34500 1
452 . 1 . 1 45 45 CYS H H 1 8.999 0.002 . . . . . . A 45 CYS H . 34500 1
453 . 1 . 1 45 45 CYS HA H 1 3.962 0.005 . . . . . . A 45 CYS HA . 34500 1
454 . 1 . 1 45 45 CYS HB2 H 1 2.921 0.011 . . . . . . A 45 CYS HB2 . 34500 1
455 . 1 . 1 45 45 CYS HB3 H 1 2.970 0.014 . . . . . . A 45 CYS HB3 . 34500 1
456 . 1 . 1 45 45 CYS C C 13 173.223 0.011 . . . . . . A 45 CYS C . 34500 1
457 . 1 . 1 45 45 CYS CA C 13 65.315 0.051 . . . . . . A 45 CYS CA . 34500 1
458 . 1 . 1 45 45 CYS CB C 13 28.139 0.055 . . . . . . A 45 CYS CB . 34500 1
459 . 1 . 1 45 45 CYS N N 15 123.734 0.013 . . . . . . A 45 CYS N . 34500 1
460 . 1 . 1 46 46 ARG H H 1 8.284 0.002 . . . . . . A 46 ARG H . 34500 1
461 . 1 . 1 46 46 ARG HA H 1 3.948 0.003 . . . . . . A 46 ARG HA . 34500 1
462 . 1 . 1 46 46 ARG HB2 H 1 1.800 0.013 . . . . . . A 46 ARG HB2 . 34500 1
463 . 1 . 1 46 46 ARG HB3 H 1 1.882 0.012 . . . . . . A 46 ARG HB3 . 34500 1
464 . 1 . 1 46 46 ARG HG2 H 1 1.431 0.003 . . . . . . A 46 ARG HG2 . 34500 1
465 . 1 . 1 46 46 ARG HG3 H 1 1.720 0.011 . . . . . . A 46 ARG HG3 . 34500 1
466 . 1 . 1 46 46 ARG HD2 H 1 3.175 0.009 . . . . . . A 46 ARG HD2 . 34500 1
467 . 1 . 1 46 46 ARG HD3 H 1 3.175 0.009 . . . . . . A 46 ARG HD3 . 34500 1
468 . 1 . 1 46 46 ARG C C 13 173.049 0.005 . . . . . . A 46 ARG C . 34500 1
469 . 1 . 1 46 46 ARG CA C 13 59.092 0.014 . . . . . . A 46 ARG CA . 34500 1
470 . 1 . 1 46 46 ARG CB C 13 30.138 0.073 . . . . . . A 46 ARG CB . 34500 1
471 . 1 . 1 46 46 ARG CG C 13 27.719 0.068 . . . . . . A 46 ARG CG . 34500 1
472 . 1 . 1 46 46 ARG CD C 13 43.514 0.000 . . . . . . A 46 ARG CD . 34500 1
473 . 1 . 1 46 46 ARG N N 15 117.871 0.020 . . . . . . A 46 ARG N . 34500 1
474 . 1 . 1 47 47 LYS H H 1 7.970 0.004 . . . . . . A 47 LYS H . 34500 1
475 . 1 . 1 47 47 LYS HA H 1 4.062 0.004 . . . . . . A 47 LYS HA . 34500 1
476 . 1 . 1 47 47 LYS HB2 H 1 1.959 0.010 . . . . . . A 47 LYS HB2 . 34500 1
477 . 1 . 1 47 47 LYS HB3 H 1 1.959 0.010 . . . . . . A 47 LYS HB3 . 34500 1
478 . 1 . 1 47 47 LYS HG2 H 1 1.488 0.010 . . . . . . A 47 LYS HG2 . 34500 1
479 . 1 . 1 47 47 LYS HG3 H 1 1.576 0.007 . . . . . . A 47 LYS HG3 . 34500 1
480 . 1 . 1 47 47 LYS HE2 H 1 2.973 0.006 . . . . . . A 47 LYS HE2 . 34500 1
481 . 1 . 1 47 47 LYS HE3 H 1 2.973 0.006 . . . . . . A 47 LYS HE3 . 34500 1
482 . 1 . 1 47 47 LYS C C 13 173.755 0.017 . . . . . . A 47 LYS C . 34500 1
483 . 1 . 1 47 47 LYS CA C 13 58.556 0.042 . . . . . . A 47 LYS CA . 34500 1
484 . 1 . 1 47 47 LYS CB C 13 32.372 0.077 . . . . . . A 47 LYS CB . 34500 1
485 . 1 . 1 47 47 LYS CG C 13 25.253 0.028 . . . . . . A 47 LYS CG . 34500 1
486 . 1 . 1 47 47 LYS CE C 13 41.785 0.020 . . . . . . A 47 LYS CE . 34500 1
487 . 1 . 1 47 47 LYS N N 15 119.531 0.032 . . . . . . A 47 LYS N . 34500 1
488 . 1 . 1 48 48 GLN H H 1 7.809 0.003 . . . . . . A 48 GLN H . 34500 1
489 . 1 . 1 48 48 GLN HA H 1 4.199 0.007 . . . . . . A 48 GLN HA . 34500 1
490 . 1 . 1 48 48 GLN HB2 H 1 2.029 0.007 . . . . . . A 48 GLN HB2 . 34500 1
491 . 1 . 1 48 48 GLN HB3 H 1 2.189 0.005 . . . . . . A 48 GLN HB3 . 34500 1
492 . 1 . 1 48 48 GLN HG2 H 1 2.401 0.010 . . . . . . A 48 GLN HG2 . 34500 1
493 . 1 . 1 48 48 GLN HG3 H 1 2.528 0.008 . . . . . . A 48 GLN HG3 . 34500 1
494 . 1 . 1 48 48 GLN C C 13 176.197 0.008 . . . . . . A 48 GLN C . 34500 1
495 . 1 . 1 48 48 GLN CA C 13 56.454 0.066 . . . . . . A 48 GLN CA . 34500 1
496 . 1 . 1 48 48 GLN CB C 13 28.955 0.053 . . . . . . A 48 GLN CB . 34500 1
497 . 1 . 1 48 48 GLN CG C 13 34.044 0.056 . . . . . . A 48 GLN CG . 34500 1
498 . 1 . 1 48 48 GLN N N 15 116.500 0.023 . . . . . . A 48 GLN N . 34500 1
499 . 1 . 1 49 49 SER H H 1 7.802 0.003 . . . . . . A 49 SER H . 34500 1
500 . 1 . 1 49 49 SER HA H 1 4.247 0.007 . . . . . . A 49 SER HA . 34500 1
501 . 1 . 1 49 49 SER HB2 H 1 3.962 0.006 . . . . . . A 49 SER HB2 . 34500 1
502 . 1 . 1 49 49 SER HB3 H 1 3.962 0.006 . . . . . . A 49 SER HB3 . 34500 1
503 . 1 . 1 49 49 SER C C 13 178.179 0.000 . . . . . . A 49 SER C . 34500 1
504 . 1 . 1 49 49 SER CA C 13 57.947 0.043 . . . . . . A 49 SER CA . 34500 1
505 . 1 . 1 49 49 SER CB C 13 62.595 0.026 . . . . . . A 49 SER CB . 34500 1
506 . 1 . 1 49 49 SER N N 15 111.988 0.020 . . . . . . A 49 SER N . 34500 1
507 . 1 . 1 50 50 ASN HA H 1 4.717 0.002 . . . . . . A 50 ASN HA . 34500 1
508 . 1 . 1 50 50 ASN HB2 H 1 2.702 0.009 . . . . . . A 50 ASN HB2 . 34500 1
509 . 1 . 1 50 50 ASN HB3 H 1 2.905 0.006 . . . . . . A 50 ASN HB3 . 34500 1
510 . 1 . 1 50 50 ASN C C 13 176.459 0.007 . . . . . . A 50 ASN C . 34500 1
511 . 1 . 1 50 50 ASN CA C 13 53.225 0.033 . . . . . . A 50 ASN CA . 34500 1
512 . 1 . 1 50 50 ASN CB C 13 38.529 0.048 . . . . . . A 50 ASN CB . 34500 1
513 . 1 . 1 51 51 LEU H H 1 8.075 0.002 . . . . . . A 51 LEU H . 34500 1
514 . 1 . 1 51 51 LEU HA H 1 4.609 0.003 . . . . . . A 51 LEU HA . 34500 1
515 . 1 . 1 51 51 LEU HB2 H 1 1.576 0.013 . . . . . . A 51 LEU HB2 . 34500 1
516 . 1 . 1 51 51 LEU HB3 H 1 1.603 0.008 . . . . . . A 51 LEU HB3 . 34500 1
517 . 1 . 1 51 51 LEU HG H 1 1.718 0.004 . . . . . . A 51 LEU HG . 34500 1
518 . 1 . 1 51 51 LEU HD11 H 1 0.843 0.006 . . . . . . A 51 LEU HD11 . 34500 1
519 . 1 . 1 51 51 LEU HD12 H 1 0.843 0.006 . . . . . . A 51 LEU HD12 . 34500 1
520 . 1 . 1 51 51 LEU HD13 H 1 0.843 0.006 . . . . . . A 51 LEU HD13 . 34500 1
521 . 1 . 1 51 51 LEU HD21 H 1 0.881 0.005 . . . . . . A 51 LEU HD21 . 34500 1
522 . 1 . 1 51 51 LEU HD22 H 1 0.881 0.005 . . . . . . A 51 LEU HD22 . 34500 1
523 . 1 . 1 51 51 LEU HD23 H 1 0.881 0.005 . . . . . . A 51 LEU HD23 . 34500 1
524 . 1 . 1 51 51 LEU C C 13 174.645 0.011 . . . . . . A 51 LEU C . 34500 1
525 . 1 . 1 51 51 LEU CA C 13 55.502 0.094 . . . . . . A 51 LEU CA . 34500 1
526 . 1 . 1 51 51 LEU CB C 13 42.187 0.037 . . . . . . A 51 LEU CB . 34500 1
527 . 1 . 1 51 51 LEU CG C 13 27.253 0.030 . . . . . . A 51 LEU CG . 34500 1
528 . 1 . 1 51 51 LEU CD1 C 13 23.634 0.029 . . . . . . A 51 LEU CD1 . 34500 1
529 . 1 . 1 51 51 LEU CD2 C 13 25.150 0.031 . . . . . . A 51 LEU CD2 . 34500 1
530 . 1 . 1 51 51 LEU N N 15 121.594 0.023 . . . . . . A 51 LEU N . 34500 1
531 . 1 . 1 52 52 TYR H H 1 8.062 0.005 . . . . . . A 52 TYR H . 34500 1
532 . 1 . 1 52 52 TYR HA H 1 4.857 0.013 . . . . . . A 52 TYR HA . 34500 1
533 . 1 . 1 52 52 TYR HB2 H 1 2.774 0.000 . . . . . . A 52 TYR HB2 . 34500 1
534 . 1 . 1 52 52 TYR HB3 H 1 2.774 0.000 . . . . . . A 52 TYR HB3 . 34500 1
535 . 1 . 1 52 52 TYR HD1 H 1 6.829 0.000 . . . . . . A 52 TYR HD1 . 34500 1
536 . 1 . 1 52 52 TYR HD2 H 1 6.829 0.000 . . . . . . A 52 TYR HD2 . 34500 1
537 . 1 . 1 52 52 TYR HE1 H 1 6.699 0.000 . . . . . . A 52 TYR HE1 . 34500 1
538 . 1 . 1 52 52 TYR HE2 H 1 6.699 0.000 . . . . . . A 52 TYR HE2 . 34500 1
539 . 1 . 1 52 52 TYR C C 13 180.042 0.000 . . . . . . A 52 TYR C . 34500 1
540 . 1 . 1 52 52 TYR CA C 13 56.171 0.043 . . . . . . A 52 TYR CA . 34500 1
541 . 1 . 1 52 52 TYR CB C 13 41.364 0.083 . . . . . . A 52 TYR CB . 34500 1
542 . 1 . 1 52 52 TYR CD1 C 13 133.472 0.000 . . . . . . A 52 TYR CD1 . 34500 1
543 . 1 . 1 52 52 TYR CE2 C 13 117.618 0.000 . . . . . . A 52 TYR CE2 . 34500 1
544 . 1 . 1 52 52 TYR N N 15 117.767 0.025 . . . . . . A 52 TYR N . 34500 1
545 . 1 . 1 53 53 GLU H H 1 8.114 0.002 . . . . . . A 53 GLU H . 34500 1
546 . 1 . 1 53 53 GLU HA H 1 5.296 0.013 . . . . . . A 53 GLU HA . 34500 1
547 . 1 . 1 53 53 GLU HB2 H 1 1.791 0.007 . . . . . . A 53 GLU HB2 . 34500 1
548 . 1 . 1 53 53 GLU HB3 H 1 1.791 0.007 . . . . . . A 53 GLU HB3 . 34500 1
549 . 1 . 1 53 53 GLU HG2 H 1 1.895 0.008 . . . . . . A 53 GLU HG2 . 34500 1
550 . 1 . 1 53 53 GLU HG3 H 1 2.064 0.006 . . . . . . A 53 GLU HG3 . 34500 1
551 . 1 . 1 53 53 GLU C C 13 175.973 0.003 . . . . . . A 53 GLU C . 34500 1
552 . 1 . 1 53 53 GLU CA C 13 53.012 0.048 . . . . . . A 53 GLU CA . 34500 1
553 . 1 . 1 53 53 GLU CB C 13 32.885 0.107 . . . . . . A 53 GLU CB . 34500 1
554 . 1 . 1 53 53 GLU CG C 13 36.039 0.016 . . . . . . A 53 GLU CG . 34500 1
555 . 1 . 1 53 53 GLU N N 15 120.709 0.020 . . . . . . A 53 GLU N . 34500 1
556 . 1 . 1 54 54 CYS H H 1 9.765 0.003 . . . . . . A 54 CYS H . 34500 1
557 . 1 . 1 54 54 CYS HA H 1 4.720 0.013 . . . . . . A 54 CYS HA . 34500 1
558 . 1 . 1 54 54 CYS HB2 H 1 3.492 0.009 . . . . . . A 54 CYS HB2 . 34500 1
559 . 1 . 1 54 54 CYS HB3 H 1 3.526 0.010 . . . . . . A 54 CYS HB3 . 34500 1
560 . 1 . 1 54 54 CYS C C 13 175.141 0.000 . . . . . . A 54 CYS C . 34500 1
561 . 1 . 1 54 54 CYS CA C 13 57.165 0.025 . . . . . . A 54 CYS CA . 34500 1
562 . 1 . 1 54 54 CYS CB C 13 32.692 0.027 . . . . . . A 54 CYS CB . 34500 1
563 . 1 . 1 54 54 CYS N N 15 130.734 0.017 . . . . . . A 54 CYS N . 34500 1
564 . 1 . 1 55 55 PRO HA H 1 4.500 0.004 . . . . . . A 55 PRO HA . 34500 1
565 . 1 . 1 55 55 PRO HB2 H 1 2.062 0.005 . . . . . . A 55 PRO HB2 . 34500 1
566 . 1 . 1 55 55 PRO HB3 H 1 2.398 0.006 . . . . . . A 55 PRO HB3 . 34500 1
567 . 1 . 1 55 55 PRO HG2 H 1 2.094 0.010 . . . . . . A 55 PRO HG2 . 34500 1
568 . 1 . 1 55 55 PRO HG3 H 1 2.144 0.013 . . . . . . A 55 PRO HG3 . 34500 1
569 . 1 . 1 55 55 PRO HD2 H 1 4.181 0.015 . . . . . . A 55 PRO HD2 . 34500 1
570 . 1 . 1 55 55 PRO HD3 H 1 4.319 0.009 . . . . . . A 55 PRO HD3 . 34500 1
571 . 1 . 1 55 55 PRO C C 13 175.893 0.003 . . . . . . A 55 PRO C . 34500 1
572 . 1 . 1 55 55 PRO CA C 13 64.052 0.040 . . . . . . A 55 PRO CA . 34500 1
573 . 1 . 1 55 55 PRO CB C 13 32.378 0.083 . . . . . . A 55 PRO CB . 34500 1
574 . 1 . 1 55 55 PRO CG C 13 26.741 0.019 . . . . . . A 55 PRO CG . 34500 1
575 . 1 . 1 55 55 PRO CD C 13 51.648 0.019 . . . . . . A 55 PRO CD . 34500 1
576 . 1 . 1 56 56 ASP H H 1 9.049 0.003 . . . . . . A 56 ASP H . 34500 1
577 . 1 . 1 56 56 ASP HA H 1 4.823 0.004 . . . . . . A 56 ASP HA . 34500 1
578 . 1 . 1 56 56 ASP HB2 H 1 2.538 0.005 . . . . . . A 56 ASP HB2 . 34500 1
579 . 1 . 1 56 56 ASP HB3 H 1 2.754 0.005 . . . . . . A 56 ASP HB3 . 34500 1
580 . 1 . 1 56 56 ASP C C 13 174.690 0.003 . . . . . . A 56 ASP C . 34500 1
581 . 1 . 1 56 56 ASP CA C 13 56.454 0.040 . . . . . . A 56 ASP CA . 34500 1
582 . 1 . 1 56 56 ASP CB C 13 43.114 0.048 . . . . . . A 56 ASP CB . 34500 1
583 . 1 . 1 56 56 ASP N N 15 121.849 0.015 . . . . . . A 56 ASP N . 34500 1
584 . 1 . 1 57 57 CYS H H 1 9.010 0.003 . . . . . . A 57 CYS H . 34500 1
585 . 1 . 1 57 57 CYS HA H 1 5.067 0.003 . . . . . . A 57 CYS HA . 34500 1
586 . 1 . 1 57 57 CYS HB2 H 1 2.638 0.010 . . . . . . A 57 CYS HB2 . 34500 1
587 . 1 . 1 57 57 CYS HB3 H 1 3.350 0.004 . . . . . . A 57 CYS HB3 . 34500 1
588 . 1 . 1 57 57 CYS C C 13 174.443 0.006 . . . . . . A 57 CYS C . 34500 1
589 . 1 . 1 57 57 CYS CA C 13 58.781 0.045 . . . . . . A 57 CYS CA . 34500 1
590 . 1 . 1 57 57 CYS CB C 13 32.981 0.054 . . . . . . A 57 CYS CB . 34500 1
591 . 1 . 1 57 57 CYS N N 15 120.170 0.014 . . . . . . A 57 CYS N . 34500 1
592 . 1 . 1 58 58 GLY H H 1 7.886 0.003 . . . . . . A 58 GLY H . 34500 1
593 . 1 . 1 58 58 GLY HA2 H 1 3.930 0.005 . . . . . . A 58 GLY HA2 . 34500 1
594 . 1 . 1 58 58 GLY HA3 H 1 4.270 0.004 . . . . . . A 58 GLY HA3 . 34500 1
595 . 1 . 1 58 58 GLY C C 13 178.288 0.002 . . . . . . A 58 GLY C . 34500 1
596 . 1 . 1 58 58 GLY CA C 13 45.939 0.034 . . . . . . A 58 GLY CA . 34500 1
597 . 1 . 1 58 58 GLY N N 15 112.225 0.018 . . . . . . A 58 GLY N . 34500 1
598 . 1 . 1 59 59 PHE H H 1 9.255 0.003 . . . . . . A 59 PHE H . 34500 1
599 . 1 . 1 59 59 PHE HA H 1 4.154 0.003 . . . . . . A 59 PHE HA . 34500 1
600 . 1 . 1 59 59 PHE HB2 H 1 2.957 0.010 . . . . . . A 59 PHE HB2 . 34500 1
601 . 1 . 1 59 59 PHE HB3 H 1 3.380 0.010 . . . . . . A 59 PHE HB3 . 34500 1
602 . 1 . 1 59 59 PHE HD1 H 1 7.201 0.000 . . . . . . A 59 PHE HD1 . 34500 1
603 . 1 . 1 59 59 PHE HD2 H 1 7.201 0.000 . . . . . . A 59 PHE HD2 . 34500 1
604 . 1 . 1 59 59 PHE HE1 H 1 7.313 0.000 . . . . . . A 59 PHE HE1 . 34500 1
605 . 1 . 1 59 59 PHE HE2 H 1 7.313 0.000 . . . . . . A 59 PHE HE2 . 34500 1
606 . 1 . 1 59 59 PHE HZ H 1 7.244 0.000 . . . . . . A 59 PHE HZ . 34500 1
607 . 1 . 1 59 59 PHE C C 13 178.283 0.004 . . . . . . A 59 PHE C . 34500 1
608 . 1 . 1 59 59 PHE CA C 13 60.426 0.048 . . . . . . A 59 PHE CA . 34500 1
609 . 1 . 1 59 59 PHE CB C 13 40.594 0.059 . . . . . . A 59 PHE CB . 34500 1
610 . 1 . 1 59 59 PHE CD1 C 13 132.232 0.000 . . . . . . A 59 PHE CD1 . 34500 1
611 . 1 . 1 59 59 PHE CE2 C 13 131.121 0.000 . . . . . . A 59 PHE CE2 . 34500 1
612 . 1 . 1 59 59 PHE CZ C 13 129.596 0.000 . . . . . . A 59 PHE CZ . 34500 1
613 . 1 . 1 59 59 PHE N N 15 126.192 0.019 . . . . . . A 59 PHE N . 34500 1
614 . 1 . 1 60 60 MET H H 1 7.388 0.002 . . . . . . A 60 MET H . 34500 1
615 . 1 . 1 60 60 MET HA H 1 4.795 0.011 . . . . . . A 60 MET HA . 34500 1
616 . 1 . 1 60 60 MET HB2 H 1 1.624 0.003 . . . . . . A 60 MET HB2 . 34500 1
617 . 1 . 1 60 60 MET HB3 H 1 1.853 0.005 . . . . . . A 60 MET HB3 . 34500 1
618 . 1 . 1 60 60 MET HG2 H 1 2.386 0.006 . . . . . . A 60 MET HG2 . 34500 1
619 . 1 . 1 60 60 MET HG3 H 1 2.542 0.006 . . . . . . A 60 MET HG3 . 34500 1
620 . 1 . 1 60 60 MET C C 13 177.651 0.010 . . . . . . A 60 MET C . 34500 1
621 . 1 . 1 60 60 MET CA C 13 53.418 0.068 . . . . . . A 60 MET CA . 34500 1
622 . 1 . 1 60 60 MET CB C 13 32.966 0.048 . . . . . . A 60 MET CB . 34500 1
623 . 1 . 1 60 60 MET CG C 13 31.608 0.014 . . . . . . A 60 MET CG . 34500 1
624 . 1 . 1 60 60 MET N N 15 126.541 0.009 . . . . . . A 60 MET N . 34500 1
625 . 1 . 1 61 61 GLY H H 1 7.462 0.002 . . . . . . A 61 GLY H . 34500 1
626 . 1 . 1 61 61 GLY HA2 H 1 2.918 0.005 . . . . . . A 61 GLY HA2 . 34500 1
627 . 1 . 1 61 61 GLY HA3 H 1 3.879 0.007 . . . . . . A 61 GLY HA3 . 34500 1
628 . 1 . 1 61 61 GLY C C 13 172.296 0.000 . . . . . . A 61 GLY C . 34500 1
629 . 1 . 1 61 61 GLY CA C 13 43.522 0.033 . . . . . . A 61 GLY CA . 34500 1
630 . 1 . 1 61 61 GLY N N 15 111.082 0.015 . . . . . . A 61 GLY N . 34500 1
631 . 1 . 1 62 62 PRO HA H 1 4.246 0.007 . . . . . . A 62 PRO HA . 34500 1
632 . 1 . 1 62 62 PRO HB2 H 1 2.182 0.005 . . . . . . A 62 PRO HB2 . 34500 1
633 . 1 . 1 62 62 PRO HB3 H 1 2.399 0.009 . . . . . . A 62 PRO HB3 . 34500 1
634 . 1 . 1 62 62 PRO HG2 H 1 1.807 0.005 . . . . . . A 62 PRO HG2 . 34500 1
635 . 1 . 1 62 62 PRO HG3 H 1 1.807 0.005 . . . . . . A 62 PRO HG3 . 34500 1
636 . 1 . 1 62 62 PRO HD2 H 1 3.484 0.013 . . . . . . A 62 PRO HD2 . 34500 1
637 . 1 . 1 62 62 PRO HD3 H 1 3.538 0.012 . . . . . . A 62 PRO HD3 . 34500 1
638 . 1 . 1 62 62 PRO CA C 13 63.955 0.036 . . . . . . A 62 PRO CA . 34500 1
639 . 1 . 1 62 62 PRO CB C 13 34.910 0.040 . . . . . . A 62 PRO CB . 34500 1
640 . 1 . 1 62 62 PRO CG C 13 25.124 0.039 . . . . . . A 62 PRO CG . 34500 1
641 . 1 . 1 62 62 PRO CD C 13 50.109 0.018 . . . . . . A 62 PRO CD . 34500 1
stop_
save_