Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 16503
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err 0.005
_Assigned_chem_shift_list.Chem_shift_13C_err 0.05
_Assigned_chem_shift_list.Chem_shift_15N_err 0.08
_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 'standard deviation of values assigned in multiple spectra.'
_Assigned_chem_shift_list.Details "Note: the uncertainty for C' is 0.1 ppm; it is higher than the values for CA and CB (whose value is 0.05ppm), because C' assignments are based on only 1 spectrum"
_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' . . . 16503 1
2 '2D 1H-13C HSQC' . . . 16503 1
3 '2D 1H-1H TOCSY' . . . 16503 1
4 '2D 1H-1H NOESY' . . . 16503 1
5 '3D CBCA(CO)NH' . . . 16503 1
6 '3D HNCO' . . . 16503 1
7 '3D HNCA' . . . 16503 1
8 '3D HNCACB' . . . 16503 1
9 '3D HN(CO)CA' . . . 16503 1
10 '3D HN(COCA)CB' . . . 16503 1
11 '1H-15N HSQC side chain filtered' . . . 16503 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 $SPARKY . . 16503 1
2 $TOPSPIN . . 16503 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 LYS HA H 1 4.152 0.005 . 1 . . . . 1 LYS HA . 16503 1
2 . 1 1 1 1 LYS C C 13 172.4 0.1 . 1 . . . . 1 LYS C . 16503 1
3 . 1 1 1 1 LYS CA C 13 55.78 0.05 . 1 . . . . 1 LYS CA . 16503 1
4 . 1 1 1 1 LYS CB C 13 33.22 0.05 . 1 . . . . 1 LYS CB . 16503 1
5 . 1 1 2 2 GLU H H 1 8.715 0.005 . 1 . . . . 2 GLU H . 16503 1
6 . 1 1 2 2 GLU HA H 1 4.613 0.005 . 1 . . . . 2 GLU HA . 16503 1
7 . 1 1 2 2 GLU C C 13 175.7 0.1 . 1 . . . . 2 GLU C . 16503 1
8 . 1 1 2 2 GLU CA C 13 55.81 0.05 . 1 . . . . 2 GLU CA . 16503 1
9 . 1 1 2 2 GLU CB C 13 29.31 0.05 . 1 . . . . 2 GLU CB . 16503 1
10 . 1 1 2 2 GLU N N 15 122.9 0.08 . 1 . . . . 2 GLU N . 16503 1
11 . 1 1 3 3 THR H H 1 8.198 0.005 . 1 . . . . 3 THR H . 16503 1
12 . 1 1 3 3 THR HA H 1 4.468 0.005 . 1 . . . . 3 THR HA . 16503 1
13 . 1 1 3 3 THR C C 13 174.4 0.1 . 1 . . . . 3 THR C . 16503 1
14 . 1 1 3 3 THR CA C 13 61.41 0.05 . 1 . . . . 3 THR CA . 16503 1
15 . 1 1 3 3 THR CB C 13 70.40 0.05 . 1 . . . . 3 THR CB . 16503 1
16 . 1 1 3 3 THR N N 15 115.4 0.08 . 1 . . . . 3 THR N . 16503 1
17 . 1 1 4 4 ALA H H 1 8.417 0.005 . 1 . . . . 4 ALA H . 16503 1
18 . 1 1 4 4 ALA HA H 1 4.292 0.005 . 1 . . . . 4 ALA HA . 16503 1
19 . 1 1 4 4 ALA C C 13 178.0 0.1 . 1 . . . . 4 ALA C . 16503 1
20 . 1 1 4 4 ALA CA C 13 53.50 0.05 . 1 . . . . 4 ALA CA . 16503 1
21 . 1 1 4 4 ALA CB C 13 18.81 0.05 . 1 . . . . 4 ALA CB . 16503 1
22 . 1 1 4 4 ALA N N 15 125.2 0.08 . 1 . . . . 4 ALA N . 16503 1
23 . 1 1 5 5 ALA H H 1 8.148 0.005 . 1 . . . . 5 ALA H . 16503 1
24 . 1 1 5 5 ALA HA H 1 4.271 0.005 . 1 . . . . 5 ALA HA . 16503 1
25 . 1 1 5 5 ALA C C 13 178.2 0.1 . 1 . . . . 5 ALA C . 16503 1
26 . 1 1 5 5 ALA CA C 13 53.5 0.05 . 1 . . . . 5 ALA CA . 16503 1
27 . 1 1 5 5 ALA CB C 13 18.85 0.05 . 1 . . . . 5 ALA CB . 16503 1
28 . 1 1 5 5 ALA N N 15 121.3 0.08 . 1 . . . . 5 ALA N . 16503 1
29 . 1 1 6 6 ALA H H 1 7.96 0.005 . 1 . . . . 6 ALA H . 16503 1
30 . 1 1 6 6 ALA HA H 1 4.242 0.005 . 1 . . . . 6 ALA HA . 16503 1
31 . 1 1 6 6 ALA C C 13 178.6 0.1 . 1 . . . . 6 ALA C . 16503 1
32 . 1 1 6 6 ALA CA C 13 53.62 0.05 . 1 . . . . 6 ALA CA . 16503 1
33 . 1 1 6 6 ALA CB C 13 18.86 0.05 . 1 . . . . 6 ALA CB . 16503 1
34 . 1 1 6 6 ALA N N 15 121.6 0.08 . 1 . . . . 6 ALA N . 16503 1
35 . 1 1 7 7 LYS H H 1 7.979 0.005 . 1 . . . . 7 LYS H . 16503 1
36 . 1 1 7 7 LYS HA H 1 4.148 0.005 . 1 . . . . 7 LYS HA . 16503 1
37 . 1 1 7 7 LYS C C 13 177.1 0.05 . 1 . . . . 7 LYS C . 16503 1
38 . 1 1 7 7 LYS CA C 13 57.80 0.05 . 1 . . . . 7 LYS CA . 16503 1
39 . 1 1 7 7 LYS CB C 13 32.77 0.05 . 1 . . . . 7 LYS CB . 16503 1
40 . 1 1 7 7 LYS N N 15 118.6 0.08 . 1 . . . . 7 LYS N . 16503 1
41 . 1 1 8 8 PHE H H 1 8.017 0.005 . 1 . . . . 8 PHE H . 16503 1
42 . 1 1 8 8 PHE HA H 1 4.576 0.005 . 1 . . . . 8 PHE HA . 16503 1
43 . 1 1 8 8 PHE C C 13 176.6 0.1 . 1 . . . . 8 PHE C . 16503 1
44 . 1 1 8 8 PHE CA C 13 58.79 0.05 . 1 . . . . 8 PHE CA . 16503 1
45 . 1 1 8 8 PHE CB C 13 39.31 0.05 . 1 . . . . 8 PHE CB . 16503 1
46 . 1 1 8 8 PHE N N 15 118.9 0.08 . 1 . . . . 8 PHE N . 16503 1
47 . 1 1 9 9 GLU H H 1 8.137 0.005 . 1 . . . . 9 GLU H . 16503 1
48 . 1 1 9 9 GLU HA H 1 4.333 0.005 . 1 . . . . 9 GLU HA . 16503 1
49 . 1 1 9 9 GLU C C 13 176.7 0.1 . 1 . . . . 9 GLU C . 16503 1
50 . 1 1 9 9 GLU CA C 13 56.87 0.05 . 1 . . . . 9 GLU CA . 16503 1
51 . 1 1 9 9 GLU CB C 13 28.68 0.05 . 1 . . . . 9 GLU CB . 16503 1
52 . 1 1 9 9 GLU N N 15 120.4 0.08 . 1 . . . . 9 GLU N . 16503 1
53 . 1 1 10 10 ARG H H 1 8.181 0.005 . 1 . . . . 10 ARG H . 16503 1
54 . 1 1 10 10 ARG HA H 1 4.274 0.005 . 1 . . . . 10 ARG HA . 16503 1
55 . 1 1 10 10 ARG C C 13 176.8 0.1 . 1 . . . . 10 ARG C . 16503 1
56 . 1 1 10 10 ARG CA C 13 57.17 0.05 . 1 . . . . 10 ARG CA . 16503 1
57 . 1 1 10 10 ARG CB C 13 30.47 0.05 . 1 . . . . 10 ARG CB . 16503 1
58 . 1 1 10 10 ARG N N 15 120.5 0.08 . 1 . . . . 10 ARG N . 16503 1
59 . 1 1 11 11 GLN H H 1 8.172 0.005 . 1 . . . . 11 GLN H . 16503 1
60 . 1 1 11 11 GLN HA H 1 4.279 0.005 . 1 . . . . 11 GLN HA . 16503 1
61 . 1 1 11 11 GLN C C 13 176.2 0.1 . 1 . . . . 11 GLN C . 16503 1
62 . 1 1 11 11 GLN CA C 13 56.66 0.05 . 1 . . . . 11 GLN CA . 16503 1
63 . 1 1 11 11 GLN CB C 13 29.30 0.05 . 1 . . . . 11 GLN CB . 16503 1
64 . 1 1 11 11 GLN N N 15 119.0 0.08 . 1 . . . . 11 GLN N . 16503 1
65 . 1 1 12 12 HIS H H 1 8.276 0.005 . 1 . . . . 12 HIS H . 16503 1
66 . 1 1 12 12 HIS HA H 1 4.687 0.005 . 1 . . . . 12 HIS HA . 16503 1
67 . 1 1 12 12 HIS C C 13 174.5 0.1 . 1 . . . . 12 HIS C . 16503 1
68 . 1 1 12 12 HIS CA C 13 55.84 0.05 . 1 . . . . 12 HIS CA . 16503 1
69 . 1 1 12 12 HIS CB C 13 28.74 0.05 . 1 . . . . 12 HIS CB . 16503 1
70 . 1 1 12 12 HIS N N 15 117.8 0.08 . 1 . . . . 12 HIS N . 16503 1
71 . 1 1 13 13 MET H H 1 8.233 0.005 . 1 . . . . 13 MET H . 16503 1
72 . 1 1 13 13 MET HA H 1 4.490 0.005 . 1 . . . . 13 MET HA . 16503 1
73 . 1 1 13 13 MET C C 13 176.0 0.1 . 1 . . . . 13 MET C . 16503 1
74 . 1 1 13 13 MET CA C 13 56.12 0.05 . 1 . . . . 13 MET CA . 16503 1
75 . 1 1 13 13 MET CB C 13 33.01 0.05 . 1 . . . . 13 MET CB . 16503 1
76 . 1 1 13 13 MET N N 15 120.7 0.08 . 1 . . . . 13 MET N . 16503 1
77 . 1 1 14 14 ASP H H 1 8.416 0.005 . 1 . . . . 14 ASP H . 16503 1
78 . 1 1 14 14 ASP HA H 1 4.800 0.005 . 1 . . . . 14 ASP HA . 16503 1
79 . 1 1 14 14 ASP C C 13 175.3 0.1 . 1 . . . . 14 ASP C . 16503 1
80 . 1 1 14 14 ASP CA C 13 53.35 0.05 . 1 . . . . 14 ASP CA . 16503 1
81 . 1 1 14 14 ASP CB C 13 38.39 0.05 . 1 . . . . 14 ASP CB . 16503 1
82 . 1 1 14 14 ASP N N 15 119.8 0.08 . 1 . . . . 14 ASP N . 16503 1
83 . 1 1 15 15 SER H H 1 8.216 0.005 . 1 . . . . 15 SER H . 16503 1
84 . 1 1 15 15 SER HA H 1 4.513 0.005 . 1 . . . . 15 SER HA . 16503 1
85 . 1 1 15 15 SER C C 13 174.8 0.1 . 1 . . . . 15 SER C . 16503 1
86 . 1 1 15 15 SER CA C 13 58.73 0.05 . 1 . . . . 15 SER CA . 16503 1
87 . 1 1 15 15 SER CB C 13 63.86 0.05 . 1 . . . . 15 SER CB . 16503 1
88 . 1 1 15 15 SER N N 15 115.8 0.08 . 1 . . . . 15 SER N . 16503 1
89 . 1 1 16 16 SER H H 1 8.284 0.005 . 1 . . . . 16 SER H . 16503 1
90 . 1 1 16 16 SER HA H 1 4.570 0.005 . 1 . . . . 16 SER HA . 16503 1
91 . 1 1 16 16 SER C C 13 175.1 0.1 . 1 . . . . 16 SER C . 16503 1
92 . 1 1 16 16 SER CA C 13 58.99 0.05 . 1 . . . . 16 SER CA . 16503 1
93 . 1 1 16 16 SER CB C 13 63.75 0.05 . 1 . . . . 16 SER CB . 16503 1
94 . 1 1 16 16 SER N N 15 117.2 0.08 . 1 . . . . 16 SER N . 16503 1
95 . 1 1 17 17 THR H H 1 8.098 0.005 . 1 . . . . 17 THR H . 16503 1
96 . 1 1 17 17 THR HA H 1 4.436 0.005 . 1 . . . . 17 THR HA . 16503 1
97 . 1 1 17 17 THR C C 13 175.0 0.1 . 1 . . . . 17 THR C . 16503 1
98 . 1 1 17 17 THR CA C 13 62.38 0.05 . 1 . . . . 17 THR CA . 16503 1
99 . 1 1 17 17 THR CB C 13 69.61 0.05 . 1 . . . . 17 THR CB . 16503 1
100 . 1 1 17 17 THR N N 15 114.7 0.08 . 1 . . . . 17 THR N . 16503 1
101 . 1 1 18 18 SER H H 1 8.187 0.005 . 1 . . . . 18 SER H . 16503 1
102 . 1 1 18 18 SER HA H 1 4.526 0.005 . 1 . . . . 18 SER HA . 16503 1
103 . 1 1 18 18 SER C C 13 175.0 0.1 . 1 . . . . 18 SER C . 16503 1
104 . 1 1 18 18 SER CA C 13 58.92 0.05 . 1 . . . . 18 SER CA . 16503 1
105 . 1 1 18 18 SER CB C 13 63.85 0.05 . 1 . . . . 18 SER CB . 16503 1
106 . 1 1 18 18 SER N N 15 117.4 0.08 . 1 . . . . 18 SER N . 16503 1
107 . 1 1 19 19 ALA H H 1 8.252 0.005 . 1 . . . . 19 ALA H . 16503 1
108 . 1 1 19 19 ALA HA H 1 4.337 0.005 . 1 . . . . 19 ALA HA . 16503 1
109 . 1 1 19 19 ALA C C 13 178.1 0.1 . 1 . . . . 19 ALA C . 16503 1
110 . 1 1 19 19 ALA CA C 13 53.44 0.05 . 1 . . . . 19 ALA CA . 16503 1
111 . 1 1 19 19 ALA CB C 13 18.85 0.05 . 1 . . . . 19 ALA CB . 16503 1
112 . 1 1 19 19 ALA N N 15 125.5 0.08 . 1 . . . . 19 ALA N . 16503 1
113 . 1 1 20 20 ALA H H 1 8.099 0.005 . 1 . . . . 20 ALA H . 16503 1
114 . 1 1 20 20 ALA HA H 1 4.336 0.005 . 1 . . . . 20 ALA HA . 16503 1
115 . 1 1 20 20 ALA C C 13 178.3 0.1 . 1 . . . . 20 ALA C . 16503 1
116 . 1 1 20 20 ALA CA C 13 53.28 0.05 . 1 . . . . 20 ALA CA . 16503 1
117 . 1 1 20 20 ALA CB C 13 18.86 0.05 . 1 . . . . 20 ALA CB . 16503 1
118 . 1 1 20 20 ALA N N 15 121.5 0.08 . 1 . . . . 20 ALA N . 16503 1
119 . 1 1 21 21 SER H H 1 8.085 0.005 . 1 . . . . 21 SER H . 16503 1
120 . 1 1 21 21 SER HA H 1 4.500 0.005 . 1 . . . . 21 SER HA . 16503 1
121 . 1 1 21 21 SER C C 13 175.4 0.1 . 1 . . . . 21 SER C . 16503 1
122 . 1 1 21 21 SER CA C 13 59.18 0.05 . 1 . . . . 21 SER CA . 16503 1
123 . 1 1 21 21 SER CB C 13 63.82 0.05 . 1 . . . . 21 SER CB . 16503 1
124 . 1 1 21 21 SER N N 15 113.7 0.08 . 1 . . . . 21 SER N . 16503 1
125 . 1 1 22 22 SER H H 1 8.218 0.005 . 1 . . . . 22 SER H . 16503 1
126 . 1 1 22 22 SER HA H 1 4.520 0.005 . 1 . . . . 22 SER HA . 16503 1
127 . 1 1 22 22 SER C C 13 175.6 0.1 . 1 . . . . 22 SER C . 16503 1
128 . 1 1 22 22 SER CA C 13 59.43 0.05 . 1 . . . . 22 SER CA . 16503 1
129 . 1 1 22 22 SER CB C 13 63.69 0.05 . 1 . . . . 22 SER CB . 16503 1
130 . 1 1 22 22 SER N N 15 117.2 0.08 . 1 . . . . 22 SER N . 16503 1
131 . 1 1 23 23 SER H H 1 8.200 0.005 . 1 . . . . 23 SER H . 16503 1
132 . 1 1 23 23 SER HA H 1 4.469 0.005 . 1 . . . . 23 SER HA . 16503 1
133 . 1 1 23 23 SER C C 13 175.0 0.1 . 1 . . . . 23 SER C . 16503 1
134 . 1 1 23 23 SER CA C 13 59.53 0.05 . 1 . . . . 23 SER CA . 16503 1
135 . 1 1 23 23 SER CB C 13 63.58 0.05 . 1 . . . . 23 SER CB . 16503 1
136 . 1 1 23 23 SER N N 15 117.0 0.08 . 1 . . . . 23 SER N . 16503 1
137 . 1 1 24 24 ASN H H 1 8.272 0.005 . 1 . . . . 24 ASN H . 16503 1
138 . 1 1 24 24 ASN HA H 1 4.736 0.005 . 1 . . . . 24 ASN HA . 16503 1
139 . 1 1 24 24 ASN C C 13 176.1 0.1 . 1 . . . . 24 ASN C . 16503 1
140 . 1 1 24 24 ASN CA C 13 54.60 0.05 . 1 . . . . 24 ASN CA . 16503 1
141 . 1 1 24 24 ASN CB C 13 38.73 0.05 . 1 . . . . 24 ASN CB . 16503 1
142 . 1 1 24 24 ASN N N 15 120.5 0.08 . 1 . . . . 24 ASN N . 16503 1
143 . 1 1 25 25 TYR H H 1 8.192 0.005 . 1 . . . . 25 TYR H . 16503 1
144 . 1 1 25 25 TYR HA H 1 4.366 0.005 . 1 . . . . 25 TYR HA . 16503 1
145 . 1 1 25 25 TYR C C 13 177.1 0.1 . 1 . . . . 25 TYR C . 16503 1
146 . 1 1 25 25 TYR CA C 13 60.57 0.05 . 1 . . . . 25 TYR CA . 16503 1
147 . 1 1 25 25 TYR CB C 13 38.51 0.05 . 1 . . . . 25 TYR CB . 16503 1
148 . 1 1 25 25 TYR N N 15 120.7 0.08 . 1 . . . . 25 TYR N . 16503 1
149 . 1 1 26 26 CYS H H 1 8.396 0.005 . 1 . . . . 26 CYS H . 16503 1
150 . 1 1 26 26 CYS HA H 1 4.470 0.005 . 1 . . . . 26 CYS HA . 16503 1
151 . 1 1 26 26 CYS C C 13 176.0 0.1 . 1 . . . . 26 CYS C . 16503 1
152 . 1 1 26 26 CYS CA C 13 57.20 0.05 . 1 . . . . 26 CYS CA . 16503 1
153 . 1 1 26 26 CYS N N 15 117.4 0.08 . 1 . . . . 26 CYS N . 16503 1
154 . 1 1 27 27 ASN H H 1 8.314 0.005 . 1 . . . . 27 ASN H . 16503 1
155 . 1 1 27 27 ASN C C 13 177.9 0.1 . 1 . . . . 27 ASN C . 16503 1
156 . 1 1 27 27 ASN CA C 13 55.48 0.05 . 1 . . . . 27 ASN CA . 16503 1
157 . 1 1 27 27 ASN CB C 13 38.43 0.05 . 1 . . . . 27 ASN CB . 16503 1
158 . 1 1 27 27 ASN N N 15 119.2 0.08 . 1 . . . . 27 ASN N . 16503 1
159 . 1 1 28 28 GLN H H 1 8.188 0.005 . 1 . . . . 28 GLN H . 16503 1
160 . 1 1 28 28 GLN HA H 1 4.245 0.05 . 1 . . . . 28 GLN HA . 16503 1
161 . 1 1 28 28 GLN C C 13 177.9 0.1 . 1 . . . . 28 GLN C . 16503 1
162 . 1 1 28 28 GLN CA C 13 57.43 0.05 . 1 . . . . 28 GLN CA . 16503 1
163 . 1 1 28 28 GLN CB C 13 28.32 0.05 . 1 . . . . 28 GLN CB . 16503 1
164 . 1 1 28 28 GLN N N 15 119.0 0.08 . 1 . . . . 28 GLN N . 16503 1
165 . 1 1 29 29 MET H H 1 8.098 0.005 . 1 . . . . 29 MET H . 16503 1
166 . 1 1 29 29 MET HA H 1 4.364 0.005 . 1 . . . . 29 MET HA . 16503 1
167 . 1 1 29 29 MET C C 13 177.9 0.1 . 1 . . . . 29 MET C . 16503 1
168 . 1 1 29 29 MET CA C 13 57.34 0.05 . 1 . . . . 29 MET CA . 16503 1
169 . 1 1 29 29 MET CB C 13 32.03 0.05 . 1 . . . . 29 MET CB . 16503 1
170 . 1 1 29 29 MET N N 15 118.5 0.08 . 1 . . . . 29 MET N . 16503 1
171 . 1 1 30 30 MET H H 1 8.074 0.005 . 1 . . . . 30 MET H . 16503 1
172 . 1 1 30 30 MET HA H 1 4.403 0.005 . 1 . . . . 30 MET HA . 16503 1
173 . 1 1 30 30 MET C C 13 177.5 0.1 . 1 . . . . 30 MET C . 16503 1
174 . 1 1 30 30 MET CA C 13 57.06 0.05 . 1 . . . . 30 MET CA . 16503 1
175 . 1 1 30 30 MET CB C 13 32.42 0.05 . 1 . . . . 30 MET CB . 16503 1
176 . 1 1 30 30 MET N N 15 118.5 0.08 . 1 . . . . 30 MET N . 16503 1
177 . 1 1 31 31 LYS H H 1 7.920 0.005 . 1 . . . . 31 LYS H . 16503 1
178 . 1 1 31 31 LYS HA H 1 4.253 0.005 . 1 . . . . 31 LYS HA . 16503 1
179 . 1 1 31 31 LYS C C 13 177.4 0.1 . 1 . . . . 31 LYS C . 16503 1
180 . 1 1 31 31 LYS CA C 13 57.86 0.05 . 1 . . . . 31 LYS CA . 16503 1
181 . 1 1 31 31 LYS CB C 13 32.66 0.05 . 1 . . . . 31 LYS CB . 16503 1
182 . 1 1 31 31 LYS N N 15 119.4 0.08 . 1 . . . . 31 LYS N . 16503 1
183 . 1 1 32 32 SER H H 1 7.953 0.005 . 1 . . . . 32 SER H . 16503 1
184 . 1 1 32 32 SER HA H 1 4.424 0.005 . 1 . . . . 32 SER HA . 16503 1
185 . 1 1 32 32 SER C C 13 175.3 0.1 . 1 . . . . 32 SER C . 16503 1
186 . 1 1 32 32 SER CA C 13 59.47 0.05 . 1 . . . . 32 SER CA . 16503 1
187 . 1 1 32 32 SER CB C 13 63.77 0.05 . 1 . . . . 32 SER CB . 16503 1
188 . 1 1 32 32 SER N N 15 114.1 0.08 . 1 . . . . 32 SER N . 16503 1
189 . 1 1 33 33 ARG H H 1 8.111 0.005 . 1 . . . . 33 ARG H . 16503 1
190 . 1 1 33 33 ARG HA H 1 4.326 0.005 . 1 . . . . 33 ARG HA . 16503 1
191 . 1 1 33 33 ARG C C 13 176.4 0.1 . 1 . . . . 33 ARG C . 16503 1
192 . 1 1 33 33 ARG CA C 13 57.09 0.05 . 1 . . . . 33 ARG CA . 16503 1
193 . 1 1 33 33 ARG CB C 13 30.39 0.05 . 1 . . . . 33 ARG CB . 16503 1
194 . 1 1 33 33 ARG N N 15 121.6 0.08 . 1 . . . . 33 ARG N . 16503 1
195 . 1 1 34 34 ASN H H 1 8.238 0.005 . 1 . . . . 34 ASN H . 16503 1
196 . 1 1 34 34 ASN HA H 1 4.705 0.005 . 1 . . . . 34 ASN HA . 16503 1
197 . 1 1 34 34 ASN C C 13 175.6 0.1 . 1 . . . . 34 ASN C . 16503 1
198 . 1 1 34 34 ASN CA C 13 53.93 0.05 . 1 . . . . 34 ASN CA . 16503 1
199 . 1 1 34 34 ASN CB C 13 38.59 0.05 . 1 . . . . 34 ASN CB . 16503 1
200 . 1 1 34 34 ASN N N 15 117.9 0.08 . 1 . . . . 34 ASN N . 16503 1
201 . 1 1 35 35 LEU H H 1 8.056 0.005 . 1 . . . . 35 LEU H . 16503 1
202 . 1 1 35 35 LEU HA H 1 4.413 0.005 . 1 . . . . 35 LEU HA . 16503 1
203 . 1 1 35 35 LEU C C 13 177.7 0.1 . 1 . . . . 35 LEU C . 16503 1
204 . 1 1 35 35 LEU CA C 13 55.88 0.05 . 1 . . . . 35 LEU CA . 16503 1
205 . 1 1 35 35 LEU CB C 13 42.20 0.05 . 1 . . . . 35 LEU CB . 16503 1
206 . 1 1 35 35 LEU N N 15 121.0 0.08 . 1 . . . . 35 LEU N . 16503 1
207 . 1 1 36 36 THR H H 1 7.923 0.005 . 1 . . . . 36 THR H . 16503 1
208 . 1 1 36 36 THR HA H 1 4.356 0.005 . 1 . . . . 36 THR HA . 16503 1
209 . 1 1 36 36 THR C C 13 175.0 0.1 . 1 . . . . 36 THR C . 16503 1
210 . 1 1 36 36 THR CA C 13 62.65 0.05 . 1 . . . . 36 THR CA . 16503 1
211 . 1 1 36 36 THR CB C 13 69.74 0.05 . 1 . . . . 36 THR CB . 16503 1
212 . 1 1 36 36 THR N N 15 112.3 0.08 . 1 . . . . 36 THR N . 16503 1
213 . 1 1 37 37 LYS H H 1 8.063 0.005 . 1 . . . . 37 LYS H . 16503 1
214 . 1 1 37 37 LYS HA H 1 4.566 0.005 . 1 . . . . 37 LYS HA . 16503 1
215 . 1 1 37 37 LYS C C 13 176.4 0.1 . 1 . . . . 37 LYS C . 16503 1
216 . 1 1 37 37 LYS CA C 13 56.93 0.05 . 1 . . . . 37 LYS CA . 16503 1
217 . 1 1 37 37 LYS CB C 13 32.69 0.05 . 1 . . . . 37 LYS CB . 16503 1
218 . 1 1 37 37 LYS N N 15 121.4 0.08 . 1 . . . . 37 LYS N . 16503 1
219 . 1 1 38 38 ASP H H 1 8.245 0.005 . 1 . . . . 38 ASP H . 16503 1
220 . 1 1 38 38 ASP HA H 1 4.770 0.005 . 1 . . . . 38 ASP HA . 16503 1
221 . 1 1 38 38 ASP C C 13 175.1 0.1 . 1 . . . . 38 ASP C . 16503 1
222 . 1 1 38 38 ASP CA C 13 53.40 0.05 . 1 . . . . 38 ASP CA . 16503 1
223 . 1 1 38 38 ASP CB C 13 38.51 0.05 . 1 . . . . 38 ASP CB . 16503 1
224 . 1 1 38 38 ASP N N 15 118.4 0.08 . 1 . . . . 38 ASP N . 16503 1
225 . 1 1 39 39 ARG H H 1 8.077 0.005 . 1 . . . . 39 ARG H . 16503 1
226 . 1 1 39 39 ARG C C 13 175.8 0.1 . 1 . . . . 39 ARG C . 16503 1
227 . 1 1 39 39 ARG CA C 13 56.22 0.05 . 1 . . . . 39 ARG CA . 16503 1
228 . 1 1 39 39 ARG CB C 13 30.78 0.05 . 1 . . . . 39 ARG CB . 16503 1
229 . 1 1 39 39 ARG N N 15 120.1 0.08 . 1 . . . . 39 ARG N . 16503 1
230 . 1 1 40 40 CYS H H 1 8.206 0.005 . 1 . . . . 40 CYS H . 16503 1
231 . 1 1 40 40 CYS C C 13 173.8 0.1 . 1 . . . . 40 CYS C . 16503 1
232 . 1 1 40 40 CYS CA C 13 54.91 0.05 . 1 . . . . 40 CYS CA . 16503 1
233 . 1 1 40 40 CYS CB C 13 40.60 0.05 . 1 . . . . 40 CYS CB . 16503 1
234 . 1 1 40 40 CYS N N 15 117.8 0.08 . 1 . . . . 40 CYS N . 16503 1
235 . 1 1 41 41 LYS H H 1 8.326 0.005 . 1 . . . . 41 LYS H . 16503 1
236 . 1 1 41 41 LYS HA H 1 4.680 0.005 . 1 . . . . 41 LYS HA . 16503 1
237 . 1 1 41 41 LYS CA C 13 54.32 0.05 . 1 . . . . 41 LYS CA . 16503 1
238 . 1 1 41 41 LYS CB C 13 32.91 0.05 . 1 . . . . 41 LYS CB . 16503 1
239 . 1 1 41 41 LYS N N 15 123.4 0.08 . 1 . . . . 41 LYS N . 16503 1
240 . 1 1 42 42 PRO HA H 1 4.507 0.005 . 1 . . . . 42 PRO HA . 16503 1
241 . 1 1 42 42 PRO C C 13 176.6 0.1 . 1 . . . . 42 PRO C . 16503 1
242 . 1 1 42 42 PRO CA C 13 63.3 0.05 . 1 . . . . 42 PRO CA . 16503 1
243 . 1 1 42 42 PRO CB C 13 31.96 0.05 . 1 . . . . 42 PRO CB . 16503 1
244 . 1 1 43 43 VAL H H 1 8.079 0.005 . 1 . . . . 43 VAL H . 16503 1
245 . 1 1 43 43 VAL HA H 1 4.161 0.005 . 1 . . . . 43 VAL HA . 16503 1
246 . 1 1 43 43 VAL C C 13 175.7 0.1 . 1 . . . . 43 VAL C . 16503 1
247 . 1 1 43 43 VAL CA C 13 62.2 0.05 . 1 . . . . 43 VAL CA . 16503 1
248 . 1 1 43 43 VAL CB C 13 33.15 0.05 . 1 . . . . 43 VAL CB . 16503 1
249 . 1 1 43 43 VAL N N 15 119.1 0.08 . 1 . . . . 43 VAL N . 16503 1
250 . 1 1 44 44 ASN H H 1 8.339 0.005 . 1 . . . . 44 ASN H . 16503 1
251 . 1 1 44 44 ASN HA H 1 4.811 0.005 . 1 . . . . 44 ASN HA . 16503 1
252 . 1 1 44 44 ASN C C 13 175.3 0.1 . 1 . . . . 44 ASN C . 16503 1
253 . 1 1 44 44 ASN CA C 13 53.34 0.05 . 1 . . . . 44 ASN CA . 16503 1
254 . 1 1 44 44 ASN CB C 13 38.83 0.05 . 1 . . . . 44 ASN CB . 16503 1
255 . 1 1 44 44 ASN N N 15 121.2 0.08 . 1 . . . . 44 ASN N . 16503 1
256 . 1 1 45 45 THR H H 1 7.964 0.005 . 1 . . . . 45 THR H . 16503 1
257 . 1 1 45 45 THR HA H 1 4.315 0.005 . 1 . . . . 45 THR HA . 16503 1
258 . 1 1 45 45 THR C C 13 174.3 0.1 . 1 . . . . 45 THR C . 16503 1
259 . 1 1 45 45 THR CA C 13 62.26 0.05 . 1 . . . . 45 THR CA . 16503 1
260 . 1 1 45 45 THR CB C 13 69.59 0.05 . 1 . . . . 45 THR CB . 16503 1
261 . 1 1 45 45 THR N N 15 113.8 0.08 . 1 . . . . 45 THR N . 16503 1
262 . 1 1 46 46 PHE H H 1 8.097 0.005 . 1 . . . . 46 PHE H . 16503 1
263 . 1 1 46 46 PHE HA H 1 4.663 0.005 . 1 . . . . 46 PHE HA . 16503 1
264 . 1 1 46 46 PHE C C 13 175.9 0.1 . 1 . . . . 46 PHE C . 16503 1
265 . 1 1 46 46 PHE CA C 13 58.18 0.05 . 1 . . . . 46 PHE CA . 16503 1
266 . 1 1 46 46 PHE CB C 13 39.20 0.05 . 1 . . . . 46 PHE CB . 16503 1
267 . 1 1 46 46 PHE N N 15 121.3 0.08 . 1 . . . . 46 PHE N . 16503 1
268 . 1 1 47 47 VAL H H 1 7.879 0.005 . 1 . . . . 47 VAL H . 16503 1
269 . 1 1 47 47 VAL HA H 1 4.050 0.005 . 1 . . . . 47 VAL HA . 16503 1
270 . 1 1 47 47 VAL C C 13 175.8 0.1 . 1 . . . . 47 VAL C . 16503 1
271 . 1 1 47 47 VAL CA C 13 62.74 0.05 . 1 . . . . 47 VAL CA . 16503 1
272 . 1 1 47 47 VAL CB C 13 32.72 0.05 . 1 . . . . 47 VAL CB . 16503 1
273 . 1 1 47 47 VAL N N 15 119.9 0.08 . 1 . . . . 47 VAL N . 16503 1
274 . 1 1 48 48 HIS H H 1 8.373 0.005 . 1 . . . . 48 HIS H . 16503 1
275 . 1 1 48 48 HIS HA H 1 4.719 0.005 . 1 . . . . 48 HIS HA . 16503 1
276 . 1 1 48 48 HIS C C 13 174.3 0.1 . 1 . . . . 48 HIS C . 16503 1
277 . 1 1 48 48 HIS CA C 13 55.66 0.05 . 1 . . . . 48 HIS CA . 16503 1
278 . 1 1 48 48 HIS CB C 13 28.72 0.05 . 1 . . . . 48 HIS CB . 16503 1
279 . 1 1 48 48 HIS N N 15 120.7 0.08 . 1 . . . . 48 HIS N . 16503 1
280 . 1 1 49 49 GLU H H 1 8.273 0.005 . 1 . . . . 49 GLU H . 16503 1
281 . 1 1 49 49 GLU HA H 1 4.465 0.005 . 1 . . . . 49 GLU HA . 16503 1
282 . 1 1 49 49 GLU C C 13 175.7 0.1 . 1 . . . . 49 GLU C . 16503 1
283 . 1 1 49 49 GLU CA C 13 56.03 0.05 . 1 . . . . 49 GLU CA . 16503 1
284 . 1 1 49 49 GLU CB C 13 29.32 0.05 . 1 . . . . 49 GLU CB . 16503 1
285 . 1 1 49 49 GLU N N 15 120.9 0.08 . 1 . . . . 49 GLU N . 16503 1
286 . 1 1 50 50 SER H H 1 8.305 0.005 . 1 . . . . 50 SER H . 16503 1
287 . 1 1 50 50 SER HA H 1 4.556 0.005 . 1 . . . . 50 SER HA . 16503 1
288 . 1 1 50 50 SER C C 13 175.0 0.1 . 1 . . . . 50 SER C . 16503 1
289 . 1 1 50 50 SER CA C 13 58.17 0.05 . 1 . . . . 50 SER CA . 16503 1
290 . 1 1 50 50 SER CB C 13 64.35 0.05 . 1 . . . . 50 SER CB . 16503 1
291 . 1 1 50 50 SER N N 15 117.0 0.08 . 1 . . . . 50 SER N . 16503 1
292 . 1 1 51 51 LEU H H 1 8.350 0.005 . 1 . . . . 51 LEU H . 16503 1
293 . 1 1 51 51 LEU HA H 1 4.269 0.005 . 1 . . . . 51 LEU HA . 16503 1
294 . 1 1 51 51 LEU C C 13 177.9 0.1 . 1 . . . . 51 LEU C . 16503 1
295 . 1 1 51 51 LEU CA C 13 56.70 0.05 . 1 . . . . 51 LEU CA . 16503 1
296 . 1 1 51 51 LEU CB C 13 41.85 0.05 . 1 . . . . 51 LEU CB . 16503 1
297 . 1 1 51 51 LEU N N 15 123.2 0.08 . 1 . . . . 51 LEU N . 16503 1
298 . 1 1 52 52 ALA H H 1 8.100 0.005 . 1 . . . . 52 ALA H . 16503 1
299 . 1 1 52 52 ALA HA H 1 4.258 0.005 . 1 . . . . 52 ALA HA . 16503 1
300 . 1 1 52 52 ALA C C 13 178.7 0.1 . 1 . . . . 52 ALA C . 16503 1
301 . 1 1 52 52 ALA CA C 13 53.86 0.05 . 1 . . . . 52 ALA CA . 16503 1
302 . 1 1 52 52 ALA CB C 13 18.57 0.05 . 1 . . . . 52 ALA CB . 16503 1
303 . 1 1 52 52 ALA N N 15 121.3 0.08 . 1 . . . . 52 ALA N . 16503 1
304 . 1 1 53 53 ASP H H 1 8.003 0.005 . 1 . . . . 53 ASP H . 16503 1
305 . 1 1 53 53 ASP HA H 1 4.653 0.005 . 1 . . . . 53 ASP HA . 16503 1
306 . 1 1 53 53 ASP C C 13 176.1 0.1 . 1 . . . . 53 ASP C . 16503 1
307 . 1 1 53 53 ASP CA C 13 54.46 0.05 . 1 . . . . 53 ASP CA . 16503 1
308 . 1 1 53 53 ASP CB C 13 38.15 0.05 . 1 . . . . 53 ASP CB . 16503 1
309 . 1 1 53 53 ASP N N 15 117.0 0.08 . 1 . . . . 53 ASP N . 16503 1
310 . 1 1 54 54 VAL H H 1 7.868 0.005 . 1 . . . . 54 VAL H . 16503 1
311 . 1 1 54 54 VAL HA H 1 3.874 0.005 . 1 . . . . 54 VAL HA . 16503 1
312 . 1 1 54 54 VAL C C 13 176.9 0.1 . 1 . . . . 54 VAL C . 16503 1
313 . 1 1 54 54 VAL CA C 13 64.88 0.05 . 1 . . . . 54 VAL CA . 16503 1
314 . 1 1 54 54 VAL CB C 13 32.14 0.05 . 1 . . . . 54 VAL CB . 16503 1
315 . 1 1 54 54 VAL N N 15 119.7 0.08 . 1 . . . . 54 VAL N . 16503 1
316 . 1 1 55 55 GLN H H 1 8.287 0.005 . 1 . . . . 55 GLN H . 16503 1
317 . 1 1 55 55 GLN HA H 1 4.369 0.005 . 1 . . . . 55 GLN HA . 16503 1
318 . 1 1 55 55 GLN C C 13 177.2 0.1 . 1 . . . . 55 GLN C . 16503 1
319 . 1 1 55 55 GLN CA C 13 57.79 0.05 . 1 . . . . 55 GLN CA . 16503 1
320 . 1 1 55 55 GLN CB C 13 28.72 0.05 . 1 . . . . 55 GLN CB . 16503 1
321 . 1 1 55 55 GLN N N 15 119.7 0.08 . 1 . . . . 55 GLN N . 16503 1
322 . 1 1 56 56 ALA H H 1 7.965 0.005 . 1 . . . . 56 ALA H . 16503 1
323 . 1 1 56 56 ALA HA H 1 4.322 0.005 . 1 . . . . 56 ALA HA . 16503 1
324 . 1 1 56 56 ALA C C 13 179.0 0.1 . 1 . . . . 56 ALA C . 16503 1
325 . 1 1 56 56 ALA CA C 13 54.05 0.05 . 1 . . . . 56 ALA CA . 16503 1
326 . 1 1 56 56 ALA CB C 13 18.85 0.05 . 1 . . . . 56 ALA CB . 16503 1
327 . 1 1 56 56 ALA N N 15 122.6 0.08 . 1 . . . . 56 ALA N . 16503 1
328 . 1 1 57 57 VAL H H 1 7.999 0.005 . 1 . . . . 57 VAL H . 16503 1
329 . 1 1 57 57 VAL HA H 1 3.988 0.005 . 1 . . . . 57 VAL HA . 16503 1
330 . 1 1 57 57 VAL C C 13 177.5 0.1 . 1 . . . . 57 VAL C . 16503 1
331 . 1 1 57 57 VAL CA C 13 64.34 0.05 . 1 . . . . 57 VAL CA . 16503 1
332 . 1 1 57 57 VAL CB C 13 32.06 0.05 . 1 . . . . 57 VAL CB . 16503 1
333 . 1 1 57 57 VAL N N 15 117.4 0.08 . 1 . . . . 57 VAL N . 16503 1
334 . 1 1 58 58 CYS H H 1 8.368 0.005 . 1 . . . . 58 CYS H . 16503 1
335 . 1 1 58 58 CYS C C 13 175.5 0.1 . 1 . . . . 58 CYS C . 16503 1
336 . 1 1 58 58 CYS CA C 13 56.08 0.005 . 1 . . . . 58 CYS CA . 16503 1
337 . 1 1 58 58 CYS N N 15 118.1 0.08 . 1 . . . . 58 CYS N . 16503 1
338 . 1 1 59 59 SER H H 1 8.125 0.005 . 1 . . . . 59 SER H . 16503 1
339 . 1 1 59 59 SER HA H 1 4.525 0.005 . 1 . . . . 59 SER HA . 16503 1
340 . 1 1 59 59 SER CA C 13 59.39 0.05 . 1 . . . . 59 SER CA . 16503 1
341 . 1 1 59 59 SER CB C 13 64.03 0.05 . 1 . . . . 59 SER CB . 16503 1
342 . 1 1 59 59 SER N N 15 115.5 0.08 . 1 . . . . 59 SER N . 16503 1
343 . 1 1 60 60 GLN H H 1 8.06 0.005 . 1 . . . . 60 GLN H . 16503 1
344 . 1 1 60 60 GLN HA H 1 4.718 0.005 . 1 . . . . 60 GLN HA . 16503 1
345 . 1 1 60 60 GLN C C 13 176.2 0.1 . 1 . . . . 60 GLN C . 16503 1
346 . 1 1 60 60 GLN CA C 13 56.60 0.05 . 1 . . . . 60 GLN CA . 16503 1
347 . 1 1 60 60 GLN CB C 13 29.22 0.05 . 1 . . . . 60 GLN CB . 16503 1
348 . 1 1 60 60 GLN N N 15 121.2 0.08 . 1 . . . . 60 GLN N . 16503 1
349 . 1 1 61 61 LYS H H 1 8.157 0.005 . 1 . . . . 61 LYS H . 16503 1
350 . 1 1 61 61 LYS HA H 1 4.338 0.005 . 1 . . . . 61 LYS HA . 16503 1
351 . 1 1 61 61 LYS C C 13 176.3 0.1 . 1 . . . . 61 LYS C . 16503 1
352 . 1 1 61 61 LYS CA C 13 56.74 0.05 . 1 . . . . 61 LYS CA . 16503 1
353 . 1 1 61 61 LYS CB C 13 33.02 0.05 . 1 . . . . 61 LYS CB . 16503 1
354 . 1 1 61 61 LYS N N 15 120.5 0.08 . 1 . . . . 61 LYS N . 16503 1
355 . 1 1 62 62 ASN H H 1 8.243 0.005 . 1 . . . . 62 ASN H . 16503 1
356 . 1 1 62 62 ASN HA H 1 4.785 0.005 . 1 . . . . 62 ASN HA . 16503 1
357 . 1 1 62 62 ASN C C 13 175.3 0.1 . 1 . . . . 62 ASN C . 16503 1
358 . 1 1 62 62 ASN CA C 13 53.61 0.05 . 1 . . . . 62 ASN CA . 16503 1
359 . 1 1 62 62 ASN CB C 13 38.95 0.05 . 1 . . . . 62 ASN CB . 16503 1
360 . 1 1 62 62 ASN N N 15 118.7 0.08 . 1 . . . . 62 ASN N . 16503 1
361 . 1 1 63 63 VAL H H 1 7.938 0.005 . 1 . . . . 63 VAL H . 16503 1
362 . 1 1 63 63 VAL HA H 1 4.133 0.005 . 1 . . . . 63 VAL HA . 16503 1
363 . 1 1 63 63 VAL C C 13 175.7 0.1 . 1 . . . . 63 VAL C . 16503 1
364 . 1 1 63 63 VAL CA C 13 62.68 0.05 . 1 . . . . 63 VAL CA . 16503 1
365 . 1 1 63 63 VAL CB C 13 32.70 0.05 . 1 . . . . 63 VAL CB . 16503 1
366 . 1 1 63 63 VAL N N 15 119.2 0.08 . 1 . . . . 63 VAL N . 16503 1
367 . 1 1 64 64 ALA H H 1 8.138 0.005 . 1 . . . . 64 ALA H . 16503 1
368 . 1 1 64 64 ALA HA H 1 4.398 0.005 . 1 . . . . 64 ALA HA . 16503 1
369 . 1 1 64 64 ALA C C 13 177.6 0.1 . 1 . . . . 64 ALA C . 16503 1
370 . 1 1 64 64 ALA CA C 13 52.75 0.05 . 1 . . . . 64 ALA CA . 16503 1
371 . 1 1 64 64 ALA CB C 13 19.33 0.05 . 1 . . . . 64 ALA CB . 16503 1
372 . 1 1 64 64 ALA N N 15 125.3 0.08 . 1 . . . . 64 ALA N . 16503 1
373 . 1 1 65 65 CYS H H 1 8.140 0.005 . 1 . . . . 65 CYS H . 16503 1
374 . 1 1 65 65 CYS HA H 1 4.720 0.005 . 1 . . . . 65 CYS HA . 16503 1
375 . 1 1 65 65 CYS C C 13 175.1 0.1 . 1 . . . . 65 CYS C . 16503 1
376 . 1 1 65 65 CYS CA C 13 55.31 0.05 . 1 . . . . 65 CYS CA . 16503 1
377 . 1 1 65 65 CYS CB C 13 41.01 0.05 . 1 . . . . 65 CYS CB . 16503 1
378 . 1 1 66 66 LYS H H 1 8.359 0.005 . 1 . . . . 66 LYS H . 16503 1
379 . 1 1 66 66 LYS HA H 1 4.375 0.005 . 1 . . . . 66 LYS HA . 16503 1
380 . 1 1 66 66 LYS C C 13 176.3 0.1 . 1 . . . . 66 LYS C . 16503 1
381 . 1 1 66 66 LYS CA C 13 56.72 0.05 . 1 . . . . 66 LYS CA . 16503 1
382 . 1 1 66 66 LYS CB C 13 33.12 0.05 . 1 . . . . 66 LYS CB . 16503 1
383 . 1 1 66 66 LYS N N 15 122.8 0.08 . 1 . . . . 66 LYS N . 16503 1
384 . 1 1 67 67 ASN H H 1 8.295 0.005 . 1 . . . . 67 ASN H . 16503 1
385 . 1 1 67 67 ASN HA H 1 4.669 0.005 . 1 . . . . 67 ASN HA . 16503 1
386 . 1 1 67 67 ASN C C 13 175.8 0.1 . 1 . . . . 67 ASN C . 16503 1
387 . 1 1 67 67 ASN CA C 13 53.87 0.05 . 1 . . . . 67 ASN CA . 16503 1
388 . 1 1 67 67 ASN CB C 13 38.35 0.05 . 1 . . . . 67 ASN CB . 16503 1
389 . 1 1 67 67 ASN N N 15 117.5 0.08 . 1 . . . . 67 ASN N . 16503 1
390 . 1 1 68 68 GLY H H 1 8.345 0.005 . 1 . . . . 68 GLY H . 16503 1
391 . 1 1 68 68 GLY HA2 H 1 4.018 0.005 . 1 . . . . 68 GLY HA2 . 16503 1
392 . 1 1 68 68 GLY HA3 H 1 4.018 0.005 . 1 . . . . 68 GLY HA3 . 16503 1
393 . 1 1 68 68 GLY C C 13 174.4 0.1 . 1 . . . . 68 GLY C . 16503 1
394 . 1 1 68 68 GLY CA C 13 45.69 0.05 . 1 . . . . 68 GLY CA . 16503 1
395 . 1 1 68 68 GLY N N 15 109.4 0.08 . 1 . . . . 68 GLY N . 16503 1
396 . 1 1 69 69 GLN H H 1 8.069 0.005 . 1 . . . . 69 GLN H . 16503 1
397 . 1 1 69 69 GLN HA H 1 4.470 0.005 . 1 . . . . 69 GLN HA . 16503 1
398 . 1 1 69 69 GLN C C 13 176.5 0.1 . 1 . . . . 69 GLN C . 16503 1
399 . 1 1 69 69 GLN CA C 13 56.16 0.05 . 1 . . . . 69 GLN CA . 16503 1
400 . 1 1 69 69 GLN CB C 13 29.38 0.05 . 1 . . . . 69 GLN CB . 16503 1
401 . 1 1 69 69 GLN N N 15 119.4 0.08 . 1 . . . . 69 GLN N . 16503 1
402 . 1 1 70 70 THR H H 1 8.182 0.005 . 1 . . . . 70 THR H . 16503 1
403 . 1 1 70 70 THR HA H 1 4.328 0.005 . 1 . . . . 70 THR HA . 16503 1
404 . 1 1 70 70 THR C C 13 174.6 0.1 . 1 . . . . 70 THR C . 16503 1
405 . 1 1 70 70 THR CA C 13 62.74 0.05 . 1 . . . . 70 THR CA . 16503 1
406 . 1 1 70 70 THR CB C 13 69.59 0.05 . 1 . . . . 70 THR CB . 16503 1
407 . 1 1 70 70 THR N N 15 113.3 0.08 . 1 . . . . 70 THR N . 16503 1
408 . 1 1 71 71 ASN H H 1 8.336 0.005 . 1 . . . . 71 ASN H . 16503 1
409 . 1 1 71 71 ASN HA H 1 4.758 0.005 . 1 . . . . 71 ASN HA . 16503 1
410 . 1 1 71 71 ASN C C 13 175.0 0.1 . 1 . . . . 71 ASN C . 16503 1
411 . 1 1 71 71 ASN CA C 13 53.49 0.05 . 1 . . . . 71 ASN CA . 16503 1
412 . 1 1 71 71 ASN CB C 13 37.99 0.05 . 1 . . . . 71 ASN CB . 16503 1
413 . 1 1 71 71 ASN N N 15 118.5 0.08 . 1 . . . . 71 ASN N . 16503 1
414 . 1 1 72 72 CYS H H 1 8.080 0.005 . 1 . . . . 72 CYS H . 16503 1
415 . 1 1 72 72 CYS HA H 1 4.613 0.005 . 1 . . . . 72 CYS HA . 16503 1
416 . 1 1 72 72 CYS C C 13 174.1 0.1 . 1 . . . . 72 CYS C . 16503 1
417 . 1 1 72 72 CYS CA C 13 56.98 0.05 . 1 . . . . 72 CYS CA . 16503 1
418 . 1 1 72 72 CYS CB C 13 41.40 0.05 . 1 . . . . 72 CYS CB . 16503 1
419 . 1 1 72 72 CYS N N 15 117.8 0.08 . 1 . . . . 72 CYS N . 16503 1
420 . 1 1 73 73 TYR H H 1 8.112 0.005 . 1 . . . . 73 TYR H . 16503 1
421 . 1 1 73 73 TYR HA H 1 4.555 0.005 . 1 . . . . 73 TYR HA . 16503 1
422 . 1 1 73 73 TYR C C 13 175.7 0.1 . 1 . . . . 73 TYR C . 16503 1
423 . 1 1 73 73 TYR CA C 13 58.42 0.05 . 1 . . . . 73 TYR CA . 16503 1
424 . 1 1 73 73 TYR CB C 13 38.65 0.05 . 1 . . . . 73 TYR CB . 16503 1
425 . 1 1 73 73 TYR N N 15 120.5 0.08 . 1 . . . . 73 TYR N . 16503 1
426 . 1 1 74 74 GLN H H 1 8.122 0.005 . 1 . . . . 74 GLN H . 16503 1
427 . 1 1 74 74 GLN HA H 1 4.370 0.005 . 1 . . . . 74 GLN HA . 16503 1
428 . 1 1 74 74 GLN C C 13 175.7 0.1 . 1 . . . . 74 GLN C . 16503 1
429 . 1 1 74 74 GLN CA C 13 56.09 0.05 . 1 . . . . 74 GLN CA . 16503 1
430 . 1 1 74 74 GLN CB C 13 29.71 0.05 . 1 . . . . 74 GLN CB . 16503 1
431 . 1 1 74 74 GLN N N 15 120.7 0.08 . 1 . . . . 74 GLN N . 16503 1
432 . 1 1 75 75 SER H H 1 8.153 0.005 . 1 . . . . 75 SER H . 16503 1
433 . 1 1 75 75 SER HA H 1 4.49 0.005 . 1 . . . . 75 SER HA . 16503 1
434 . 1 1 75 75 SER C C 13 174.2 0.1 . 1 . . . . 75 SER C . 16503 1
435 . 1 1 75 75 SER CA C 13 58.51 0.05 . 1 . . . . 75 SER CA . 16503 1
436 . 1 1 75 75 SER CB C 13 63.89 0.05 . 1 . . . . 75 SER CB . 16503 1
437 . 1 1 75 75 SER N N 15 116.3 0.08 . 1 . . . . 75 SER N . 16503 1
438 . 1 1 76 76 TYR H H 1 8.108 0.005 . 1 . . . . 76 TYR H . 16503 1
439 . 1 1 76 76 TYR HA H 1 4.638 0.005 . 1 . . . . 76 TYR HA . 16503 1
440 . 1 1 76 76 TYR C C 13 176.1 0.1 . 1 . . . . 76 TYR C . 16503 1
441 . 1 1 76 76 TYR CA C 13 58.45 0.05 . 1 . . . . 76 TYR CA . 16503 1
442 . 1 1 76 76 TYR CB C 13 38.79 0.05 . 1 . . . . 76 TYR CB . 16503 1
443 . 1 1 76 76 TYR N N 15 120.9 0.08 . 1 . . . . 76 TYR N . 16503 1
444 . 1 1 77 77 SER H H 1 8.178 0.005 . 1 . . . . 77 SER H . 16503 1
445 . 1 1 77 77 SER HA H 1 4.542 0.005 . 1 . . . . 77 SER HA . 16503 1
446 . 1 1 77 77 SER C C 13 174.9 0.1 . 1 . . . . 77 SER C . 16503 1
447 . 1 1 77 77 SER CA C 13 58.70 0.05 . 1 . . . . 77 SER CA . 16503 1
448 . 1 1 77 77 SER CB C 13 63.95 0.05 . 1 . . . . 77 SER CB . 16503 1
449 . 1 1 77 77 SER N N 15 115.8 0.08 . 1 . . . . 77 SER N . 16503 1
450 . 1 1 78 78 THR H H 1 8.073 0.005 . 1 . . . . 78 THR H . 16503 1
451 . 1 1 78 78 THR HA H 1 4.400 0.005 . 1 . . . . 78 THR HA . 16503 1
452 . 1 1 78 78 THR C C 13 174.9 0.1 . 1 . . . . 78 THR C . 16503 1
453 . 1 1 78 78 THR CA C 13 62.51 0.05 . 1 . . . . 78 THR CA . 16503 1
454 . 1 1 78 78 THR CB C 13 69.51 0.05 . 1 . . . . 78 THR CB . 16503 1
455 . 1 1 78 78 THR N N 15 115.1 0.08 . 1 . . . . 78 THR N . 16503 1
456 . 1 1 79 79 MET H H 1 8.137 0.005 . 1 . . . . 79 MET H . 16503 1
457 . 1 1 79 79 MET HA H 1 4.473 0.005 . 1 . . . . 79 MET HA . 16503 1
458 . 1 1 79 79 MET C C 13 176.1 0.1 . 1 . . . . 79 MET C . 16503 1
459 . 1 1 79 79 MET CA C 13 56.25 0.05 . 1 . . . . 79 MET CA . 16503 1
460 . 1 1 79 79 MET CB C 13 33.15 0.05 . 1 . . . . 79 MET CB . 16503 1
461 . 1 1 79 79 MET N N 15 121.5 0.08 . 1 . . . . 79 MET N . 16503 1
462 . 1 1 80 80 SER H H 1 8.135 0.005 . 1 . . . . 80 SER H . 16503 1
463 . 1 1 80 80 SER HA H 1 4.528 0.005 . 1 . . . . 80 SER HA . 16503 1
464 . 1 1 80 80 SER C C 13 174.8 0.1 . 1 . . . . 80 SER C . 16503 1
465 . 1 1 80 80 SER CA C 13 58.60 0.05 . 1 . . . . 80 SER CA . 16503 1
466 . 1 1 80 80 SER CB C 13 63.87 0.05 . 1 . . . . 80 SER CB . 16503 1
467 . 1 1 80 80 SER N N 15 115.9 0.08 . 1 . . . . 80 SER N . 16503 1
468 . 1 1 81 81 ILE H H 1 8.032 0.005 . 1 . . . . 81 ILE H . 16503 1
469 . 1 1 81 81 ILE HA H 1 4.274 0.005 . 1 . . . . 81 ILE HA . 16503 1
470 . 1 1 81 81 ILE C C 13 176.5 0.1 . 1 . . . . 81 ILE C . 16503 1
471 . 1 1 81 81 ILE CA C 13 62.07 0.05 . 1 . . . . 81 ILE CA . 16503 1
472 . 1 1 81 81 ILE CB C 13 38.69 0.05 . 1 . . . . 81 ILE CB . 16503 1
473 . 1 1 81 81 ILE N N 15 121.4 0.08 . 1 . . . . 81 ILE N . 16503 1
474 . 1 1 82 82 THR H H 1 7.985 0.005 . 1 . . . . 82 THR H . 16503 1
475 . 1 1 82 82 THR HA H 1 4.367 0.005 . 1 . . . . 82 THR HA . 16503 1
476 . 1 1 82 82 THR C C 13 174.7 0.1 . 1 . . . . 82 THR C . 16503 1
477 . 1 1 82 82 THR CA C 13 62.54 0.05 . 1 . . . . 82 THR CA . 16503 1
478 . 1 1 82 82 THR CB C 13 69.58 0.05 . 1 . . . . 82 THR CB . 16503 1
479 . 1 1 82 82 THR N N 15 115.4 0.08 . 1 . . . . 82 THR N . 16503 1
480 . 1 1 83 83 ASP H H 1 8.230 0.005 . 1 . . . . 83 ASP H . 16503 1
481 . 1 1 83 83 ASP HA H 1 4.802 0.005 . 1 . . . . 83 ASP HA . 16503 1
482 . 1 1 83 83 ASP C C 13 175.4 0.1 . 1 . . . . 83 ASP C . 16503 1
483 . 1 1 83 83 ASP CA C 13 53.50 0.05 . 1 . . . . 83 ASP CA . 16503 1
484 . 1 1 83 83 ASP CB C 13 38.68 0.05 . 1 . . . . 83 ASP CB . 16503 1
485 . 1 1 83 83 ASP N N 15 120.3 0.08 . 1 . . . . 83 ASP N . 16503 1
486 . 1 1 84 84 CYS H H 1 8.282 0.005 . 1 . . . . 84 CYS H . 16503 1
487 . 1 1 84 84 CYS HA H 1 4.597 0.005 . 1 . . . . 84 CYS HA . 16503 1
488 . 1 1 84 84 CYS C C 13 175.0 0.1 . 1 . . . . 84 CYS C . 16503 1
489 . 1 1 84 84 CYS CA C 13 54.85 0.05 . 1 . . . . 84 CYS CA . 16503 1
490 . 1 1 84 84 CYS CB C 13 39.94 0.05 . 1 . . . . 84 CYS CB . 16503 1
491 . 1 1 84 84 CYS N N 15 118.2 0.08 . 1 . . . . 84 CYS N . 16503 1
492 . 1 1 85 85 ARG H H 1 8.233 0.005 . 1 . . . . 85 ARG H . 16503 1
493 . 1 1 85 85 ARG HA H 1 4.277 0.005 . 1 . . . . 85 ARG HA . 16503 1
494 . 1 1 85 85 ARG C C 13 176.2 0.1 . 1 . . . . 85 ARG C . 16503 1
495 . 1 1 85 85 ARG CA C 13 54.94 0.05 . 1 . . . . 85 ARG CA . 16503 1
496 . 1 1 85 85 ARG CB C 13 29.34 0.05 . 1 . . . . 85 ARG CB . 16503 1
497 . 1 1 85 85 ARG N N 15 120.9 0.08 . 1 . . . . 85 ARG N . 16503 1
498 . 1 1 86 86 GLU H H 1 8.239 0.005 . 1 . . . . 86 GLU H . 16503 1
499 . 1 1 86 86 GLU C C 13 176.2 0.1 . 1 . . . . 86 GLU C . 16503 1
500 . 1 1 86 86 GLU CA C 13 56.00 0.05 . 1 . . . . 86 GLU CA . 16503 1
501 . 1 1 86 86 GLU CB C 13 29.00 0.05 . 1 . . . . 86 GLU CB . 16503 1
502 . 1 1 86 86 GLU N N 15 120.2 0.08 . 1 . . . . 86 GLU N . 16503 1
503 . 1 1 87 87 THR H H 1 8.107 0.005 . 1 . . . . 87 THR H . 16503 1
504 . 1 1 87 87 THR HA H 1 4.431 0.005 . 1 . . . . 87 THR HA . 16503 1
505 . 1 1 87 87 THR C C 13 175.1 0.1 . 1 . . . . 87 THR C . 16503 1
506 . 1 1 87 87 THR CA C 13 62.04 0.05 . 1 . . . . 87 THR CA . 16503 1
507 . 1 1 87 87 THR CB C 13 69.96 0.05 . 1 . . . . 87 THR CB . 16503 1
508 . 1 1 87 87 THR N N 15 113.7 0.08 . 1 . . . . 87 THR N . 16503 1
509 . 1 1 88 88 GLY H H 1 8.325 0.005 . 1 . . . . 88 GLY H . 16503 1
510 . 1 1 88 88 GLY HA2 H 1 4.069 0.005 . 1 . . . . 88 GLY HA2 . 16503 1
511 . 1 1 88 88 GLY HA3 H 1 4.069 0.005 . 1 . . . . 88 GLY HA3 . 16503 1
512 . 1 1 88 88 GLY C C 13 174.1 0.1 . 1 . . . . 88 GLY C . 16503 1
513 . 1 1 88 88 GLY CA C 13 45.57 0.05 . 1 . . . . 88 GLY CA . 16503 1
514 . 1 1 88 88 GLY N N 15 110.3 0.08 . 1 . . . . 88 GLY N . 16503 1
515 . 1 1 89 89 SER H H 1 8.121 0.005 . 1 . . . . 89 SER H . 16503 1
516 . 1 1 89 89 SER C C 13 174.7 0.1 . 1 . . . . 89 SER C . 16503 1
517 . 1 1 89 89 SER CA C 13 58.33 0.05 . 1 . . . . 89 SER CA . 16503 1
518 . 1 1 89 89 SER CB C 13 64.14 0.05 . 1 . . . . 89 SER CB . 16503 1
519 . 1 1 89 89 SER N N 15 114.7 0.08 . 1 . . . . 89 SER N . 16503 1
520 . 1 1 90 90 SER H H 1 8.208 0.005 . 1 . . . . 90 SER H . 16503 1
521 . 1 1 90 90 SER HA H 1 4.489 0.005 . 1 . . . . 90 SER HA . 16503 1
522 . 1 1 90 90 SER C C 13 174.3 0.1 . 1 . . . . 90 SER C . 16503 1
523 . 1 1 90 90 SER CA C 13 58.63 0.05 . 1 . . . . 90 SER CA . 16503 1
524 . 1 1 90 90 SER CB C 13 63.77 0.05 . 1 . . . . 90 SER CB . 16503 1
525 . 1 1 90 90 SER N N 15 117.2 0.08 . 1 . . . . 90 SER N . 16503 1
526 . 1 1 91 91 LYS H H 1 8.054 0.005 . 1 . . . . 91 LYS H . 16503 1
527 . 1 1 91 91 LYS HA H 1 4.300 0.005 . 1 . . . . 91 LYS HA . 16503 1
528 . 1 1 91 91 LYS C C 13 175.5 0.1 . 1 . . . . 91 LYS C . 16503 1
529 . 1 1 91 91 LYS CA C 13 56.41 0.05 . 1 . . . . 91 LYS CA . 16503 1
530 . 1 1 91 91 LYS CB C 13 33.10 0.05 . 1 . . . . 91 LYS CB . 16503 1
531 . 1 1 91 91 LYS N N 15 121.6 0.08 . 1 . . . . 91 LYS N . 16503 1
532 . 1 1 92 92 TYR H H 1 7.887 0.005 . 1 . . . . 92 TYR H . 16503 1
533 . 1 1 92 92 TYR HA H 1 4.888 0.005 . 1 . . . . 92 TYR HA . 16503 1
534 . 1 1 92 92 TYR CA C 13 55.41 0.1 . 1 . . . . 92 TYR CA . 16503 1
535 . 1 1 92 92 TYR CB C 13 38.49 0.05 . 1 . . . . 92 TYR CB . 16503 1
536 . 1 1 92 92 TYR N N 15 119.8 0.08 . 1 . . . . 92 TYR N . 16503 1
537 . 1 1 93 93 PRO HA H 1 4.503 0.005 . 1 . . . . 93 PRO HA . 16503 1
538 . 1 1 93 93 PRO C C 13 176.3 0.1 . 1 . . . . 93 PRO C . 16503 1
539 . 1 1 93 93 PRO CA C 13 63.25 0.05 . 1 . . . . 93 PRO CA . 16503 1
540 . 1 1 93 93 PRO CB C 13 31.99 0.05 . 1 . . . . 93 PRO CB . 16503 1
541 . 1 1 94 94 ASN H H 1 8.355 0.005 . 1 . . . . 94 ASN H . 16503 1
542 . 1 1 94 94 ASN HA H 1 4.816 0.005 . 1 . . . . 94 ASN HA . 16503 1
543 . 1 1 94 94 ASN C C 13 175.4 0.1 . 1 . . . . 94 ASN C . 16503 1
544 . 1 1 94 94 ASN CA C 13 53.32 0.05 . 1 . . . . 94 ASN CA . 16503 1
545 . 1 1 94 94 ASN CB C 13 38.85 0.05 . 1 . . . . 94 ASN CB . 16503 1
546 . 1 1 94 94 ASN N N 15 118.3 0.08 . 1 . . . . 94 ASN N . 16503 1
547 . 1 1 95 95 CYS H H 1 8.349 0.005 . 1 . . . . 95 CYS H . 16503 1
548 . 1 1 95 95 CYS HA H 1 4.749 0.005 . 1 . . . . 95 CYS HA . 16503 1
549 . 1 1 95 95 CYS C C 13 174.2 0.1 . 1 . . . . 95 CYS C . 16503 1
550 . 1 1 95 95 CYS CA C 13 55.40 0.05 . 1 . . . . 95 CYS CA . 16503 1
551 . 1 1 95 95 CYS CB C 13 40.81 0.05 . 1 . . . . 95 CYS CB . 16503 1
552 . 1 1 95 95 CYS N N 15 118.6 0.08 . 1 . . . . 95 CYS N . 16503 1
553 . 1 1 96 96 ALA H H 1 8.263 0.005 . 1 . . . . 96 ALA H . 16503 1
554 . 1 1 96 96 ALA HA H 1 4.393 0.005 . 1 . . . . 96 ALA HA . 16503 1
555 . 1 1 96 96 ALA C C 13 177.0 0.1 . 1 . . . . 96 ALA C . 16503 1
556 . 1 1 96 96 ALA CA C 13 52.72 0.05 . 1 . . . . 96 ALA CA . 16503 1
557 . 1 1 96 96 ALA CB C 13 19.17 0.05 . 1 . . . . 96 ALA CB . 16503 1
558 . 1 1 96 96 ALA N N 15 124.5 0.08 . 1 . . . . 96 ALA N . 16503 1
559 . 1 1 97 97 TYR H H 1 7.940 0.005 . 1 . . . . 97 TYR H . 16503 1
560 . 1 1 97 97 TYR HA H 1 4.622 0.005 . 1 . . . . 97 TYR HA . 16503 1
561 . 1 1 97 97 TYR C C 13 175.7 0.1 . 1 . . . . 97 TYR C . 16503 1
562 . 1 1 97 97 TYR CA C 13 58.06 0.05 . 1 . . . . 97 TYR CA . 16503 1
563 . 1 1 97 97 TYR CB C 13 38.58 0.05 . 1 . . . . 97 TYR CB . 16503 1
564 . 1 1 97 97 TYR N N 15 118.9 0.08 . 1 . . . . 97 TYR N . 16503 1
565 . 1 1 98 98 LYS H H 1 8.184 0.005 . 1 . . . . 98 LYS H . 16503 1
566 . 1 1 98 98 LYS C C 13 176.5 0.1 . 1 . . . . 98 LYS C . 16503 1
567 . 1 1 98 98 LYS CA C 13 56.47 0.05 . 1 . . . . 98 LYS CA . 16503 1
568 . 1 1 98 98 LYS N N 15 119.1 0.08 . 1 . . . . 98 LYS N . 16503 1
569 . 1 1 99 99 THR H H 1 8.103 0.005 . 1 . . . . 99 THR H . 16503 1
570 . 1 1 99 99 THR HA H 1 4.436 0.005 . 1 . . . . 99 THR HA . 16503 1
571 . 1 1 99 99 THR C C 13 174.8 0.1 . 1 . . . . 99 THR C . 16503 1
572 . 1 1 99 99 THR CA C 13 62.03 0.05 . 1 . . . . 99 THR CA . 16503 1
573 . 1 1 99 99 THR CB C 13 69.85 0.05 . 1 . . . . 99 THR CB . 16503 1
574 . 1 1 99 99 THR N N 15 114.5 0.08 . 1 . . . . 99 THR N . 16503 1
575 . 1 1 100 100 THR H H 1 8.120 0.005 . 1 . . . . 100 THR H . 16503 1
576 . 1 1 100 100 THR HA H 1 4.537 0.005 . 1 . . . . 100 THR HA . 16503 1
577 . 1 1 100 100 THR C C 13 174.8 0.1 . 1 . . . . 100 THR C . 16503 1
578 . 1 1 100 100 THR CA C 13 62.26 0.05 . 1 . . . . 100 THR CA . 16503 1
579 . 1 1 100 100 THR CB C 13 69.72 0.05 . 1 . . . . 100 THR CB . 16503 1
580 . 1 1 100 100 THR N N 15 115.1 0.08 . 1 . . . . 100 THR N . 16503 1
581 . 1 1 101 101 GLN H H 1 8.269 0.005 . 1 . . . . 101 GLN H . 16503 1
582 . 1 1 101 101 GLN HA H 1 4.347 0.005 . 1 . . . . 101 GLN HA . 16503 1
583 . 1 1 101 101 GLN C C 13 176.0 0.1 . 1 . . . . 101 GLN C . 16503 1
584 . 1 1 101 101 GLN CA C 13 56.43 0.05 . 1 . . . . 101 GLN CA . 16503 1
585 . 1 1 101 101 GLN CB C 13 29.33 0.05 . 1 . . . . 101 GLN CB . 16503 1
586 . 1 1 101 101 GLN N N 15 121.1 0.08 . 1 . . . . 101 GLN N . 16503 1
587 . 1 1 102 102 ALA H H 1 8.168 0.005 . 1 . . . . 102 ALA H . 16503 1
588 . 1 1 102 102 ALA HA H 1 4.305 0.005 . 1 . . . . 102 ALA HA . 16503 1
589 . 1 1 102 102 ALA C C 13 177.5 0.1 . 1 . . . . 102 ALA C . 16503 1
590 . 1 1 102 102 ALA CA C 13 53.16 0.05 . 1 . . . . 102 ALA CA . 16503 1
591 . 1 1 102 102 ALA CB C 13 19.02 0.05 . 1 . . . . 102 ALA CB . 16503 1
592 . 1 1 102 102 ALA N N 15 123.6 0.08 . 1 . . . . 102 ALA N . 16503 1
593 . 1 1 103 103 ASN H H 1 8.170 0.005 . 1 . . . . 103 ASN H . 16503 1
594 . 1 1 103 103 ASN HA H 1 4.683 0.005 . 1 . . . . 103 ASN HA . 16503 1
595 . 1 1 103 103 ASN C C 13 175.4 0.1 . 1 . . . . 103 ASN C . 16503 1
596 . 1 1 103 103 ASN CA C 13 53.52 0.05 . 1 . . . . 103 ASN CA . 16503 1
597 . 1 1 103 103 ASN CB C 13 38.67 0.05 . 1 . . . . 103 ASN CB . 16503 1
598 . 1 1 103 103 ASN N N 15 116.6 0.08 . 1 . . . . 103 ASN N . 16503 1
599 . 1 1 104 104 LYS H H 1 8.076 0.005 . 1 . . . . 104 LYS H . 16503 1
600 . 1 1 104 104 LYS HA H 1 4.285 0.005 . 1 . . . . 104 LYS HA . 16503 1
601 . 1 1 104 104 LYS C C 13 176.3 0.1 . 1 . . . . 104 LYS C . 16503 1
602 . 1 1 104 104 LYS CA C 13 56.84 0.05 . 1 . . . . 104 LYS CA . 16503 1
603 . 1 1 104 104 LYS CB C 13 32.87 0.05 . 1 . . . . 104 LYS CB . 16503 1
604 . 1 1 104 104 LYS N N 15 120.2 0.08 . 1 . . . . 104 LYS N . 16503 1
605 . 1 1 105 105 HIS H H 1 8.334 0.005 . 1 . . . . 105 HIS H . 16503 1
606 . 1 1 105 105 HIS HA H 1 4.757 0.005 . 1 . . . . 105 HIS HA . 16503 1
607 . 1 1 105 105 HIS C C 13 174.2 0.1 . 1 . . . . 105 HIS C . 16503 1
608 . 1 1 105 105 HIS CA C 13 55.62 0.05 . 1 . . . . 105 HIS CA . 16503 1
609 . 1 1 105 105 HIS CB C 13 28.93 0.05 . 1 . . . . 105 HIS CB . 16503 1
610 . 1 1 105 105 HIS N N 15 117.6 0.08 . 1 . . . . 105 HIS N . 16503 1
611 . 1 1 106 106 ILE H H 1 8.009 0.005 . 1 . . . . 106 ILE H . 16503 1
612 . 1 1 106 106 ILE HA H 1 4.207 0.005 . 1 . . . . 106 ILE HA . 16503 1
613 . 1 1 106 106 ILE C C 13 175.5 0.1 . 1 . . . . 106 ILE C . 16503 1
614 . 1 1 106 106 ILE CA C 13 61.44 0.05 . 1 . . . . 106 ILE CA . 16503 1
615 . 1 1 106 106 ILE CB C 13 38.38 0.05 . 1 . . . . 106 ILE CB . 16503 1
616 . 1 1 106 106 ILE N N 15 120.8 0.08 . 1 . . . . 106 ILE N . 16503 1
617 . 1 1 107 107 ILE H H 1 8.095 0.005 . 1 . . . . 107 ILE H . 16503 1
618 . 1 1 107 107 ILE HA H 1 4.220 0.005 . 1 . . . . 107 ILE HA . 16503 1
619 . 1 1 107 107 ILE C C 13 176.0 0.1 . 1 . . . . 107 ILE C . 16503 1
620 . 1 1 107 107 ILE CA C 13 61.37 0.05 . 1 . . . . 107 ILE CA . 16503 1
621 . 1 1 107 107 ILE CB C 13 38.55 0.05 . 1 . . . . 107 ILE CB . 16503 1
622 . 1 1 107 107 ILE N N 15 124.0 0.08 . 1 . . . . 107 ILE N . 16503 1
623 . 1 1 108 108 VAL H H 1 8.119 0.005 . 1 . . . . 108 VAL H . 16503 1
624 . 1 1 108 108 VAL HA H 1 4.454 0.005 . 1 . . . . 108 VAL HA . 16503 1
625 . 1 1 108 108 VAL C C 13 175.5 0.1 . 1 . . . . 108 VAL C . 16503 1
626 . 1 1 108 108 VAL CA C 13 62.30 0.05 . 1 . . . . 108 VAL CA . 16503 1
627 . 1 1 108 108 VAL CB C 13 32.81 0.05 . 1 . . . . 108 VAL CB . 16503 1
628 . 1 1 108 108 VAL N N 15 123.0 0.08 . 1 . . . . 108 VAL N . 16503 1
629 . 1 1 109 109 ALA H H 1 8.183 0.005 . 1 . . . . 109 ALA H . 16503 1
630 . 1 1 109 109 ALA HA H 1 4.498 0.005 . 1 . . . . 109 ALA HA . 16503 1
631 . 1 1 109 109 ALA C C 13 177.5 0.1 . 1 . . . . 109 ALA C . 16503 1
632 . 1 1 109 109 ALA CA C 13 52.44 0.05 . 1 . . . . 109 ALA CA . 16503 1
633 . 1 1 109 109 ALA CB C 13 19.46 0.05 . 1 . . . . 109 ALA CB . 16503 1
634 . 1 1 109 109 ALA N N 15 126.1 0.08 . 1 . . . . 109 ALA N . 16503 1
635 . 1 1 110 110 CYS H H 1 8.291 0.005 . 1 . . . . 110 CYS H . 16503 1
636 . 1 1 110 110 CYS HA H 1 4.745 0.005 . 1 . . . . 110 CYS HA . 16503 1
637 . 1 1 110 110 CYS C C 13 174.7 0.1 . 1 . . . . 110 CYS C . 16503 1
638 . 1 1 110 110 CYS CA C 13 53.92 0.05 . 1 . . . . 110 CYS CA . 16503 1
639 . 1 1 110 110 CYS CB C 13 38.63 0.05 . 1 . . . . 110 CYS CB . 16503 1
640 . 1 1 110 110 CYS N N 15 117.2 0.08 . 1 . . . . 110 CYS N . 16503 1
641 . 1 1 111 111 GLU H H 1 8.057 0.005 . 1 . . . . 111 GLU H . 16503 1
642 . 1 1 111 111 GLU HA H 1 4.462 0.005 . 1 . . . . 111 GLU HA . 16503 1
643 . 1 1 111 111 GLU C C 13 176.0 0.1 . 1 . . . . 111 GLU C . 16503 1
644 . 1 1 111 111 GLU CA C 13 55.95 0.05 . 1 . . . . 111 GLU CA . 16503 1
645 . 1 1 111 111 GLU CB C 13 29.14 0.05 . 1 . . . . 111 GLU CB . 16503 1
646 . 1 1 111 111 GLU N N 15 121.2 0.08 . 1 . . . . 111 GLU N . 16503 1
647 . 1 1 112 112 GLY H H 1 8.213 0.005 . 1 . . . . 112 GLY H . 16503 1
648 . 1 1 112 112 GLY HA2 H 1 3.982 0.005 . 1 . . . . 112 GLY HA2 . 16503 1
649 . 1 1 112 112 GLY HA3 H 1 3.982 0.005 . 1 . . . . 112 GLY HA3 . 16503 1
650 . 1 1 112 112 GLY C C 13 173.0 0.1 . 1 . . . . 112 GLY C . 16503 1
651 . 1 1 112 112 GLY CA C 13 45.08 0.05 . 1 . . . . 112 GLY CA . 16503 1
652 . 1 1 112 112 GLY N N 15 108.7 0.08 . 1 . . . . 112 GLY N . 16503 1
653 . 1 1 113 113 ASN H H 1 8.145 0.005 . 1 . . . . 113 ASN H . 16503 1
654 . 1 1 113 113 ASN HA H 1 5.031 0.005 . 1 . . . . 113 ASN HA . 16503 1
655 . 1 1 113 113 ASN CA C 13 51.03 0.05 . 1 . . . . 113 ASN CA . 16503 1
656 . 1 1 113 113 ASN CB C 13 39.26 0.05 . 1 . . . . 113 ASN CB . 16503 1
657 . 1 1 113 113 ASN N N 15 118.8 0.08 . 1 . . . . 113 ASN N . 16503 1
658 . 1 1 114 114 PRO HA H 1 4.468 0.005 . 1 . . . . 114 PRO HA . 16503 1
659 . 1 1 114 114 PRO C C 13 176.1 0.1 . 1 . . . . 114 PRO C . 16503 1
660 . 1 1 114 114 PRO CA C 13 63.40 0.05 . 1 . . . . 114 PRO CA . 16503 1
661 . 1 1 114 114 PRO CB C 13 31.97 0.05 . 1 . . . . 114 PRO CB . 16503 1
662 . 1 1 115 115 TYR H H 1 8.067 0.005 . 1 . . . . 115 TYR H . 16503 1
663 . 1 1 115 115 TYR HA H 1 4.583 0.005 . 1 . . . . 115 TYR HA . 16503 1
664 . 1 1 115 115 TYR C C 13 175.1 0.1 . 1 . . . . 115 TYR C . 16503 1
665 . 1 1 115 115 TYR CA C 13 57.94 0.05 . 1 . . . . 115 TYR CA . 16503 1
666 . 1 1 115 115 TYR CB C 13 38.52 0.05 . 1 . . . . 115 TYR CB . 16503 1
667 . 1 1 115 115 TYR N N 15 119.3 0.08 . 1 . . . . 115 TYR N . 16503 1
668 . 1 1 116 116 VAL H H 1 7.646 0.005 . 1 . . . . 116 VAL H . 16503 1
669 . 1 1 116 116 VAL HA H 1 4.407 0.005 . 1 . . . . 116 VAL HA . 16503 1
670 . 1 1 116 116 VAL CA C 13 59.36 0.05 . 1 . . . . 116 VAL CA . 16503 1
671 . 1 1 116 116 VAL CB C 13 33.15 0.05 . 1 . . . . 116 VAL CB . 16503 1
672 . 1 1 116 116 VAL N N 15 122.7 0.08 . 1 . . . . 116 VAL N . 16503 1
673 . 1 1 117 117 PRO HA H 1 4.445 0.005 . 1 . . . . 117 PRO HA . 16503 1
674 . 1 1 117 117 PRO C C 13 176.3 0.1 . 1 . . . . 117 PRO C . 16503 1
675 . 1 1 117 117 PRO CA C 13 63.03 0.05 . 1 . . . . 117 PRO CA . 16503 1
676 . 1 1 117 117 PRO CB C 13 31.91 0.05 . 1 . . . . 117 PRO CB . 16503 1
677 . 1 1 118 118 VAL H H 1 7.853 0.005 . 1 . . . . 118 VAL H . 16503 1
678 . 1 1 118 118 VAL HA H 1 4.103 0.005 . 1 . . . . 118 VAL HA . 16503 1
679 . 1 1 118 118 VAL C C 13 175.6 0.1 . 1 . . . . 118 VAL C . 16503 1
680 . 1 1 118 118 VAL CA C 13 62.05 0.05 . 1 . . . . 118 VAL CA . 16503 1
681 . 1 1 118 118 VAL CB C 13 33.02 0.05 . 1 . . . . 118 VAL CB . 16503 1
682 . 1 1 118 118 VAL N N 15 119.0 0.08 . 1 . . . . 118 VAL N . 16503 1
683 . 1 1 119 119 HIS H H 1 8.264 0.005 . 1 . . . . 119 HIS H . 16503 1
684 . 1 1 119 119 HIS HA H 1 4.793 0.005 . 1 . . . . 119 HIS HA . 16503 1
685 . 1 1 119 119 HIS C C 13 173.6 0.1 . 1 . . . . 119 HIS C . 16503 1
686 . 1 1 119 119 HIS CA C 13 54.80 0.05 . 1 . . . . 119 HIS CA . 16503 1
687 . 1 1 119 119 HIS CB C 13 29.33 0.05 . 1 . . . . 119 HIS CB . 16503 1
688 . 1 1 119 119 HIS N N 15 120.8 0.08 . 1 . . . . 119 HIS N . 16503 1
689 . 1 1 120 120 PHE H H 1 8.227 0.005 . 1 . . . . 120 PHE H . 16503 1
690 . 1 1 120 120 PHE HA H 1 4.648 0.005 . 1 . . . . 120 PHE HA . 16503 1
691 . 1 1 120 120 PHE C C 13 175.1 0.1 . 1 . . . . 120 PHE C . 16503 1
692 . 1 1 120 120 PHE CA C 13 57.75 0.05 . 1 . . . . 120 PHE CA . 16503 1
693 . 1 1 120 120 PHE CB C 13 39.89 0.05 . 1 . . . . 120 PHE CB . 16503 1
694 . 1 1 120 120 PHE N N 15 121.8 0.08 . 1 . . . . 120 PHE N . 16503 1
695 . 1 1 121 121 ASP H H 1 8.332 0.005 . 1 . . . . 121 ASP H . 16503 1
696 . 1 1 121 121 ASP HA H 1 4.725 0.005 . 1 . . . . 121 ASP HA . 16503 1
697 . 1 1 121 121 ASP C C 13 174.2 0.1 . 1 . . . . 121 ASP C . 16503 1
698 . 1 1 121 121 ASP CA C 13 52.74 0.05 . 1 . . . . 121 ASP CA . 16503 1
699 . 1 1 121 121 ASP CB C 13 38.31 0.05 . 1 . . . . 121 ASP CB . 16503 1
700 . 1 1 121 121 ASP N N 15 120.8 0.08 . 1 . . . . 121 ASP N . 16503 1
701 . 1 1 122 122 ALA H H 1 8.078 0.005 . 1 . . . . 122 ALA H . 16503 1
702 . 1 1 122 122 ALA HA H 1 4.391 0.005 . 1 . . . . 122 ALA HA . 16503 1
703 . 1 1 122 122 ALA CA C 13 52.51 0.05 . 1 . . . . 122 ALA CA . 16503 1
704 . 1 1 122 122 ALA CB C 13 19.44 0.05 . 1 . . . . 122 ALA CB . 16503 1
705 . 1 1 122 122 ALA N N 15 124.2 0.08 . 1 . . . . 122 ALA N . 16503 1
706 . 1 1 123 123 SER H H 1 8.102 0.005 . 1 . . . . 123 SER H . 16503 1
707 . 1 1 123 123 SER HA H 1 4.569 0.005 . 1 . . . . 123 SER HA . 16503 1
708 . 1 1 123 123 SER C C 13 174.0 0.1 . 1 . . . . 123 SER C . 16503 1
709 . 1 1 123 123 SER CA C 13 58.29 0.05 . 1 . . . . 123 SER CA . 16503 1
710 . 1 1 123 123 SER CB C 13 63.96 0.05 . 1 . . . . 123 SER CB . 16503 1
711 . 1 1 123 123 SER N N 15 114.4 0.08 . 1 . . . . 123 SER N . 16503 1
712 . 1 1 124 124 VAL H H 1 7.847 0.005 . 1 . . . . 124 VAL H . 16503 1
713 . 1 1 124 124 VAL HA H 1 4.351 0.005 . 1 . . . . 124 VAL HA . 16503 1
714 . 1 1 124 124 VAL CA C 13 61.07 0.05 . 1 . . . . 124 VAL CA . 16503 1
715 . 1 1 124 124 VAL CB C 13 32.91 0.05 . 1 . . . . 124 VAL CB . 16503 1
716 . 1 1 124 124 VAL N N 15 119.4 0.08 . 1 . . . . 124 VAL N . 16503 1
stop_
save_