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 50004
_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 'TROSY offset: amide protons.'
_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' . . . 50004 1
2 '3D CBCA(CO)NH' . . . 50004 1
3 '3D HNCACB' . . . 50004 1
4 '3D HNCO' . . . 50004 1
5 '3D HCACO' . . . 50004 1
6 '3D HNCA' . . . 50004 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 PRO C C 13 177.727 0.00 . 1 . . . . . 2 PRO C . 50004 1
2 . 1 . 1 3 3 ILE H H 1 8.145 0.00 . 1 . . . . . 3 ILE H . 50004 1
3 . 1 . 1 3 3 ILE C C 13 176.251 0.00 . 1 . . . . . 3 ILE C . 50004 1
4 . 1 . 1 3 3 ILE CA C 13 62.397 0.00 . 1 . . . . . 3 ILE CA . 50004 1
5 . 1 . 1 3 3 ILE CB C 13 38.647 0.00 . 1 . . . . . 3 ILE CB . 50004 1
6 . 1 . 1 3 3 ILE N N 15 123.185 0.00 . 1 . . . . . 3 ILE N . 50004 1
7 . 1 . 1 4 4 GLN H H 1 8.649 0.00 . 1 . . . . . 4 GLN H . 50004 1
8 . 1 . 1 4 4 GLN C C 13 176.870 0.00 . 1 . . . . . 4 GLN C . 50004 1
9 . 1 . 1 4 4 GLN CB C 13 28.763 0.00 . 1 . . . . . 4 GLN CB . 50004 1
10 . 1 . 1 4 4 GLN N N 15 123.981 0.00 . 1 . . . . . 4 GLN N . 50004 1
11 . 1 . 1 5 5 LYS H H 1 8.040 0.00 . 1 . . . . . 5 LYS H . 50004 1
12 . 1 . 1 5 5 LYS C C 13 177.599 0.01 . 1 . . . . . 5 LYS C . 50004 1
13 . 1 . 1 5 5 LYS CA C 13 58.361 0.01 . 1 . . . . . 5 LYS CA . 50004 1
14 . 1 . 1 5 5 LYS CB C 13 32.562 0.00 . 1 . . . . . 5 LYS CB . 50004 1
15 . 1 . 1 5 5 LYS N N 15 121.341 0.08 . 1 . . . . . 5 LYS N . 50004 1
16 . 1 . 1 6 6 VAL H H 1 7.768 0.00 . 1 . . . . . 6 VAL H . 50004 1
17 . 1 . 1 6 6 VAL C C 13 179.278 0.01 . 1 . . . . . 6 VAL C . 50004 1
18 . 1 . 1 6 6 VAL CA C 13 65.669 0.03 . 1 . . . . . 6 VAL CA . 50004 1
19 . 1 . 1 6 6 VAL CB C 13 31.618 0.00 . 1 . . . . . 6 VAL CB . 50004 1
20 . 1 . 1 6 6 VAL N N 15 118.398 0.01 . 1 . . . . . 6 VAL N . 50004 1
21 . 1 . 1 7 7 GLN H H 1 8.510 0.00 . 1 . . . . . 7 GLN H . 50004 1
22 . 1 . 1 7 7 GLN C C 13 174.154 0.00 . 1 . . . . . 7 GLN C . 50004 1
23 . 1 . 1 7 7 GLN CA C 13 61.181 0.00 . 1 . . . . . 7 GLN CA . 50004 1
24 . 1 . 1 7 7 GLN CB C 13 28.596 0.16 . 1 . . . . . 7 GLN CB . 50004 1
25 . 1 . 1 7 7 GLN N N 15 123.401 0.00 . 1 . . . . . 7 GLN N . 50004 1
26 . 1 . 1 8 8 ASP H H 1 8.039 0.00 . 1 . . . . . 8 ASP H . 50004 1
27 . 1 . 1 8 8 ASP C C 13 176.876 0.12 . 1 . . . . . 8 ASP C . 50004 1
28 . 1 . 1 8 8 ASP CA C 13 55.109 0.00 . 1 . . . . . 8 ASP CA . 50004 1
29 . 1 . 1 8 8 ASP CB C 13 42.352 0.01 . 1 . . . . . 8 ASP CB . 50004 1
30 . 1 . 1 8 8 ASP N N 15 121.186 0.09 . 1 . . . . . 8 ASP N . 50004 1
31 . 1 . 1 9 9 ASP H H 1 8.219 0.00 . 1 . . . . . 9 ASP H . 50004 1
32 . 1 . 1 9 9 ASP C C 13 175.772 0.24 . 1 . . . . . 9 ASP C . 50004 1
33 . 1 . 1 9 9 ASP CB C 13 41.125 0.00 . 1 . . . . . 9 ASP CB . 50004 1
34 . 1 . 1 9 9 ASP N N 15 119.909 0.00 . 1 . . . . . 9 ASP N . 50004 1
35 . 1 . 1 10 10 THR H H 1 8.308 0.00 . 1 . . . . . 10 THR H . 50004 1
36 . 1 . 1 10 10 THR C C 13 174.955 0.00 . 1 . . . . . 10 THR C . 50004 1
37 . 1 . 1 10 10 THR N N 15 117.543 0.21 . 1 . . . . . 10 THR N . 50004 1
38 . 1 . 1 11 11 LYS C C 13 178.493 0.00 . 1 . . . . . 11 LYS C . 50004 1
39 . 1 . 1 11 11 LYS CA C 13 60.997 0.00 . 1 . . . . . 11 LYS CA . 50004 1
40 . 1 . 1 11 11 LYS CB C 13 32.347 0.00 . 1 . . . . . 11 LYS CB . 50004 1
41 . 1 . 1 12 12 THR H H 1 8.467 0.00 . 1 . . . . . 12 THR H . 50004 1
42 . 1 . 1 12 12 THR C C 13 176.394 0.00 . 1 . . . . . 12 THR C . 50004 1
43 . 1 . 1 12 12 THR CA C 13 66.874 0.02 . 1 . . . . . 12 THR CA . 50004 1
44 . 1 . 1 12 12 THR CB C 13 68.588 0.00 . 1 . . . . . 12 THR CB . 50004 1
45 . 1 . 1 12 12 THR N N 15 115.843 0.01 . 1 . . . . . 12 THR N . 50004 1
46 . 1 . 1 13 13 LEU H H 1 7.933 0.00 . 1 . . . . . 13 LEU H . 50004 1
47 . 1 . 1 13 13 LEU CA C 13 58.180 0.08 . 1 . . . . . 13 LEU CA . 50004 1
48 . 1 . 1 13 13 LEU CB C 13 40.795 0.00 . 1 . . . . . 13 LEU CB . 50004 1
49 . 1 . 1 13 13 LEU N N 15 123.743 0.01 . 1 . . . . . 13 LEU N . 50004 1
50 . 1 . 1 14 14 ILE H H 1 8.310 0.00 . 1 . . . . . 14 ILE H . 50004 1
51 . 1 . 1 14 14 ILE C C 13 177.564 0.01 . 1 . . . . . 14 ILE C . 50004 1
52 . 1 . 1 14 14 ILE CA C 13 67.900 0.00 . 1 . . . . . 14 ILE CA . 50004 1
53 . 1 . 1 14 14 ILE CB C 13 37.522 0.02 . 1 . . . . . 14 ILE CB . 50004 1
54 . 1 . 1 14 14 ILE N N 15 118.959 0.01 . 1 . . . . . 14 ILE N . 50004 1
55 . 1 . 1 15 15 LYS H H 1 8.086 0.00 . 1 . . . . . 15 LYS H . 50004 1
56 . 1 . 1 15 15 LYS C C 13 179.655 0.01 . 1 . . . . . 15 LYS C . 50004 1
57 . 1 . 1 15 15 LYS CA C 13 60.597 0.00 . 1 . . . . . 15 LYS CA . 50004 1
58 . 1 . 1 15 15 LYS CB C 13 32.144 0.01 . 1 . . . . . 15 LYS CB . 50004 1
59 . 1 . 1 15 15 LYS N N 15 117.652 0.01 . 1 . . . . . 15 LYS N . 50004 1
60 . 1 . 1 16 16 THR H H 1 8.258 0.00 . 1 . . . . . 16 THR H . 50004 1
61 . 1 . 1 16 16 THR C C 13 176.356 0.00 . 1 . . . . . 16 THR C . 50004 1
62 . 1 . 1 16 16 THR CA C 13 66.893 0.00 . 1 . . . . . 16 THR CA . 50004 1
63 . 1 . 1 16 16 THR CB C 13 68.832 0.00 . 1 . . . . . 16 THR CB . 50004 1
64 . 1 . 1 16 16 THR N N 15 117.950 0.00 . 1 . . . . . 16 THR N . 50004 1
65 . 1 . 1 17 17 ILE H H 1 8.420 0.00 . 1 . . . . . 17 ILE H . 50004 1
66 . 1 . 1 17 17 ILE C C 13 177.853 0.00 . 1 . . . . . 17 ILE C . 50004 1
67 . 1 . 1 17 17 ILE CA C 13 66.470 0.03 . 1 . . . . . 17 ILE CA . 50004 1
68 . 1 . 1 17 17 ILE CB C 13 38.258 0.02 . 1 . . . . . 17 ILE CB . 50004 1
69 . 1 . 1 17 17 ILE N N 15 123.828 0.01 . 1 . . . . . 17 ILE N . 50004 1
70 . 1 . 1 18 18 VAL H H 1 8.636 0.00 . 1 . . . . . 18 VAL H . 50004 1
71 . 1 . 1 18 18 VAL C C 13 178.362 0.01 . 1 . . . . . 18 VAL C . 50004 1
72 . 1 . 1 18 18 VAL CA C 13 68.183 0.08 . 1 . . . . . 18 VAL CA . 50004 1
73 . 1 . 1 18 18 VAL CB C 13 31.698 0.00 . 1 . . . . . 18 VAL CB . 50004 1
74 . 1 . 1 18 18 VAL N N 15 119.547 0.00 . 1 . . . . . 18 VAL N . 50004 1
75 . 1 . 1 19 19 THR H H 1 8.053 0.00 . 1 . . . . . 19 THR H . 50004 1
76 . 1 . 1 19 19 THR C C 13 175.919 0.01 . 1 . . . . . 19 THR C . 50004 1
77 . 1 . 1 19 19 THR CB C 13 66.956 0.01 . 1 . . . . . 19 THR CB . 50004 1
78 . 1 . 1 19 19 THR N N 15 116.242 0.01 . 1 . . . . . 19 THR N . 50004 1
79 . 1 . 1 20 20 ARG H H 1 8.053 0.00 . 1 . . . . . 20 ARG H . 50004 1
80 . 1 . 1 20 20 ARG C C 13 179.528 0.00 . 1 . . . . . 20 ARG C . 50004 1
81 . 1 . 1 20 20 ARG CA C 13 59.823 0.02 . 1 . . . . . 20 ARG CA . 50004 1
82 . 1 . 1 20 20 ARG CB C 13 30.081 0.02 . 1 . . . . . 20 ARG CB . 50004 1
83 . 1 . 1 20 20 ARG N N 15 122.522 0.00 . 1 . . . . . 20 ARG N . 50004 1
84 . 1 . 1 21 21 ILE H H 1 8.450 0.00 . 1 . . . . . 21 ILE H . 50004 1
85 . 1 . 1 21 21 ILE C C 13 178.231 0.01 . 1 . . . . . 21 ILE C . 50004 1
86 . 1 . 1 21 21 ILE CA C 13 66.259 0.01 . 1 . . . . . 21 ILE CA . 50004 1
87 . 1 . 1 21 21 ILE CB C 13 38.259 0.00 . 1 . . . . . 21 ILE CB . 50004 1
88 . 1 . 1 21 21 ILE N N 15 118.834 0.01 . 1 . . . . . 21 ILE N . 50004 1
89 . 1 . 1 22 22 ASN H H 1 8.045 0.00 . 1 . . . . . 22 ASN H . 50004 1
90 . 1 . 1 22 22 ASN C C 13 177.446 0.01 . 1 . . . . . 22 ASN C . 50004 1
91 . 1 . 1 22 22 ASN CA C 13 56.329 0.00 . 1 . . . . . 22 ASN CA . 50004 1
92 . 1 . 1 22 22 ASN CB C 13 38.373 0.01 . 1 . . . . . 22 ASN CB . 50004 1
93 . 1 . 1 22 22 ASN N N 15 120.048 0.00 . 1 . . . . . 22 ASN N . 50004 1
94 . 1 . 1 23 23 ASP H H 1 8.047 0.00 . 1 . . . . . 23 ASP H . 50004 1
95 . 1 . 1 23 23 ASP C C 13 178.334 0.00 . 1 . . . . . 23 ASP C . 50004 1
96 . 1 . 1 23 23 ASP CA C 13 56.992 0.00 . 1 . . . . . 23 ASP CA . 50004 1
97 . 1 . 1 23 23 ASP CB C 13 40.790 0.00 . 1 . . . . . 23 ASP CB . 50004 1
98 . 1 . 1 23 23 ASP N N 15 119.608 0.16 . 1 . . . . . 23 ASP N . 50004 1
99 . 1 . 1 24 24 ILE H H 1 7.794 0.00 . 1 . . . . . 24 ILE H . 50004 1
100 . 1 . 1 24 24 ILE C C 13 177.534 0.00 . 1 . . . . . 24 ILE C . 50004 1
101 . 1 . 1 24 24 ILE CA C 13 63.664 0.00 . 1 . . . . . 24 ILE CA . 50004 1
102 . 1 . 1 24 24 ILE CB C 13 38.853 0.00 . 1 . . . . . 24 ILE CB . 50004 1
103 . 1 . 1 24 24 ILE N N 15 118.303 0.01 . 1 . . . . . 24 ILE N . 50004 1
104 . 1 . 1 25 25 SER H H 1 8.184 0.00 . 1 . . . . . 25 SER H . 50004 1
105 . 1 . 1 25 25 SER C C 13 174.843 0.00 . 1 . . . . . 25 SER C . 50004 1
106 . 1 . 1 25 25 SER CA C 13 59.500 0.03 . 1 . . . . . 25 SER CA . 50004 1
107 . 1 . 1 25 25 SER CB C 13 63.816 0.01 . 1 . . . . . 25 SER CB . 50004 1
108 . 1 . 1 25 25 SER N N 15 115.364 0.01 . 1 . . . . . 25 SER N . 50004 1
109 . 1 . 1 26 26 HIS H H 1 8.137 0.00 . 1 . . . . . 26 HIS H . 50004 1
110 . 1 . 1 26 26 HIS C C 13 175.354 0.00 . 1 . . . . . 26 HIS C . 50004 1
111 . 1 . 1 26 26 HIS CA C 13 56.636 0.00 . 1 . . . . . 26 HIS CA . 50004 1
112 . 1 . 1 26 26 HIS CB C 13 28.249 0.00 . 1 . . . . . 26 HIS CB . 50004 1
113 . 1 . 1 26 26 HIS N N 15 119.059 0.00 . 1 . . . . . 26 HIS N . 50004 1
114 . 1 . 1 27 27 THR H H 1 7.985 0.00 . 1 . . . . . 27 THR H . 50004 1
115 . 1 . 1 27 27 THR C C 13 174.827 0.00 . 1 . . . . . 27 THR C . 50004 1
116 . 1 . 1 27 27 THR CA C 13 62.496 0.03 . 1 . . . . . 27 THR CA . 50004 1
117 . 1 . 1 27 27 THR CB C 13 69.810 0.01 . 1 . . . . . 27 THR CB . 50004 1
118 . 1 . 1 27 27 THR N N 15 112.981 0.01 . 1 . . . . . 27 THR N . 50004 1
119 . 1 . 1 28 28 GLN H H 1 8.275 0.00 . 1 . . . . . 28 GLN H . 50004 1
120 . 1 . 1 28 28 GLN C C 13 176.127 0.00 . 1 . . . . . 28 GLN C . 50004 1
121 . 1 . 1 28 28 GLN CA C 13 56.040 0.00 . 1 . . . . . 28 GLN CA . 50004 1
122 . 1 . 1 28 28 GLN CB C 13 29.524 0.00 . 1 . . . . . 28 GLN CB . 50004 1
123 . 1 . 1 28 28 GLN N N 15 121.571 0.01 . 1 . . . . . 28 GLN N . 50004 1
124 . 1 . 1 29 29 SER H H 1 8.269 0.00 . 1 . . . . . 29 SER H . 50004 1
125 . 1 . 1 29 29 SER C C 13 174.820 0.01 . 1 . . . . . 29 SER C . 50004 1
126 . 1 . 1 29 29 SER CA C 13 58.566 0.01 . 1 . . . . . 29 SER CA . 50004 1
127 . 1 . 1 29 29 SER CB C 13 63.714 0.00 . 1 . . . . . 29 SER CB . 50004 1
128 . 1 . 1 29 29 SER N N 15 116.700 0.00 . 1 . . . . . 29 SER N . 50004 1
129 . 1 . 1 30 30 VAL H H 1 8.087 0.00 . 1 . . . . . 30 VAL H . 50004 1
130 . 1 . 1 30 30 VAL C C 13 176.355 0.13 . 1 . . . . . 30 VAL C . 50004 1
131 . 1 . 1 30 30 VAL CA C 13 62.595 0.00 . 1 . . . . . 30 VAL CA . 50004 1
132 . 1 . 1 30 30 VAL CB C 13 32.716 0.00 . 1 . . . . . 30 VAL CB . 50004 1
133 . 1 . 1 30 30 VAL N N 15 121.291 0.00 . 1 . . . . . 30 VAL N . 50004 1
134 . 1 . 1 31 31 SER H H 1 8.276 0.00 . 1 . . . . . 31 SER H . 50004 1
135 . 1 . 1 31 31 SER C C 13 174.925 0.01 . 1 . . . . . 31 SER C . 50004 1
136 . 1 . 1 31 31 SER CA C 13 58.532 0.00 . 1 . . . . . 31 SER CA . 50004 1
137 . 1 . 1 31 31 SER CB C 13 63.821 0.00 . 1 . . . . . 31 SER CB . 50004 1
138 . 1 . 1 31 31 SER N N 15 118.432 0.01 . 1 . . . . . 31 SER N . 50004 1
139 . 1 . 1 32 32 SER H H 1 8.244 0.00 . 1 . . . . . 32 SER H . 50004 1
140 . 1 . 1 32 32 SER C C 13 174.644 0.13 . 1 . . . . . 32 SER C . 50004 1
141 . 1 . 1 32 32 SER CA C 13 58.709 0.01 . 1 . . . . . 32 SER CA . 50004 1
142 . 1 . 1 32 32 SER CB C 13 63.763 0.01 . 1 . . . . . 32 SER CB . 50004 1
143 . 1 . 1 32 32 SER N N 15 117.864 0.01 . 1 . . . . . 32 SER N . 50004 1
144 . 1 . 1 33 33 LYS H H 1 8.195 0.00 . 1 . . . . . 33 LYS H . 50004 1
145 . 1 . 1 33 33 LYS C C 13 176.579 0.00 . 1 . . . . . 33 LYS C . 50004 1
146 . 1 . 1 33 33 LYS CA C 13 56.593 0.00 . 1 . . . . . 33 LYS CA . 50004 1
147 . 1 . 1 33 33 LYS CB C 13 32.784 0.00 . 1 . . . . . 33 LYS CB . 50004 1
148 . 1 . 1 33 33 LYS N N 15 122.518 0.00 . 1 . . . . . 33 LYS N . 50004 1
149 . 1 . 1 34 34 GLN H H 1 8.146 0.00 . 1 . . . . . 34 GLN H . 50004 1
150 . 1 . 1 34 34 GLN C C 13 175.773 0.00 . 1 . . . . . 34 GLN C . 50004 1
151 . 1 . 1 34 34 GLN CA C 13 55.910 0.00 . 1 . . . . . 34 GLN CA . 50004 1
152 . 1 . 1 34 34 GLN CB C 13 29.596 0.01 . 1 . . . . . 34 GLN CB . 50004 1
153 . 1 . 1 34 34 GLN N N 15 120.717 0.01 . 1 . . . . . 34 GLN N . 50004 1
154 . 1 . 1 35 35 LYS H H 1 8.273 0.00 . 1 . . . . . 35 LYS H . 50004 1
155 . 1 . 1 35 35 LYS C C 13 176.326 0.14 . 1 . . . . . 35 LYS C . 50004 1
156 . 1 . 1 35 35 LYS CA C 13 56.444 0.00 . 1 . . . . . 35 LYS CA . 50004 1
157 . 1 . 1 35 35 LYS CB C 13 33.097 0.00 . 1 . . . . . 35 LYS CB . 50004 1
158 . 1 . 1 35 35 LYS N N 15 122.998 0.00 . 1 . . . . . 35 LYS N . 50004 1
159 . 1 . 1 36 36 VAL H H 1 8.240 0.00 . 1 . . . . . 36 VAL H . 50004 1
160 . 1 . 1 36 36 VAL C C 13 176.168 0.12 . 1 . . . . . 36 VAL C . 50004 1
161 . 1 . 1 36 36 VAL CB C 13 32.868 0.04 . 1 . . . . . 36 VAL CB . 50004 1
162 . 1 . 1 36 36 VAL N N 15 121.765 0.00 . 1 . . . . . 36 VAL N . 50004 1
163 . 1 . 1 37 37 THR H H 1 8.186 0.00 . 1 . . . . . 37 THR H . 50004 1
164 . 1 . 1 37 37 THR C C 13 174.895 0.02 . 1 . . . . . 37 THR C . 50004 1
165 . 1 . 1 37 37 THR CA C 13 62.055 0.00 . 1 . . . . . 37 THR CA . 50004 1
166 . 1 . 1 37 37 THR CB C 13 70.037 0.00 . 1 . . . . . 37 THR CB . 50004 1
167 . 1 . 1 37 37 THR N N 15 117.763 0.01 . 1 . . . . . 37 THR N . 50004 1
168 . 1 . 1 38 38 GLY H H 1 8.341 0.03 . 1 . . . . . 38 GLY H . 50004 1
169 . 1 . 1 38 38 GLY C C 13 173.117 0.00 . 1 . . . . . 38 GLY C . 50004 1
170 . 1 . 1 38 38 GLY CA C 13 45.410 0.00 . 1 . . . . . 38 GLY CA . 50004 1
171 . 1 . 1 38 38 GLY N N 15 111.438 0.30 . 1 . . . . . 38 GLY N . 50004 1
172 . 1 . 1 39 39 LEU H H 1 7.716 0.00 . 1 . . . . . 39 LEU H . 50004 1
173 . 1 . 1 39 39 LEU C C 13 176.450 0.13 . 1 . . . . . 39 LEU C . 50004 1
174 . 1 . 1 39 39 LEU CA C 13 56.539 0.00 . 1 . . . . . 39 LEU CA . 50004 1
175 . 1 . 1 39 39 LEU N N 15 127.197 0.01 . 1 . . . . . 39 LEU N . 50004 1
176 . 1 . 1 40 40 ASP H H 1 8.150 0.00 . 1 . . . . . 40 ASP H . 50004 1
177 . 1 . 1 40 40 ASP C C 13 179.090 0.03 . 1 . . . . . 40 ASP C . 50004 1
178 . 1 . 1 40 40 ASP CA C 13 57.892 0.00 . 1 . . . . . 40 ASP CA . 50004 1
179 . 1 . 1 40 40 ASP CB C 13 38.844 0.00 . 1 . . . . . 40 ASP CB . 50004 1
180 . 1 . 1 40 40 ASP N N 15 120.766 0.03 . 1 . . . . . 40 ASP N . 50004 1
181 . 1 . 1 41 41 PHE H H 1 8.847 0.00 . 1 . . . . . 41 PHE H . 50004 1
182 . 1 . 1 41 41 PHE C C 13 179.283 0.00 . 1 . . . . . 41 PHE C . 50004 1
183 . 1 . 1 41 41 PHE CA C 13 57.598 0.01 . 1 . . . . . 41 PHE CA . 50004 1
184 . 1 . 1 41 41 PHE CB C 13 40.052 0.02 . 1 . . . . . 41 PHE CB . 50004 1
185 . 1 . 1 41 41 PHE N N 15 121.914 0.00 . 1 . . . . . 41 PHE N . 50004 1
186 . 1 . 1 42 42 ILE H H 1 8.248 0.00 . 1 . . . . . 42 ILE H . 50004 1
187 . 1 . 1 42 42 ILE CA C 13 68.228 0.00 . 1 . . . . . 42 ILE CA . 50004 1
188 . 1 . 1 42 42 ILE N N 15 119.723 0.01 . 1 . . . . . 42 ILE N . 50004 1
189 . 1 . 1 43 43 PRO C C 13 177.382 0.00 . 1 . . . . . 43 PRO C . 50004 1
190 . 1 . 1 43 43 PRO CA C 13 63.491 0.00 . 1 . . . . . 43 PRO CA . 50004 1
191 . 1 . 1 43 43 PRO CB C 13 32.159 0.00 . 1 . . . . . 43 PRO CB . 50004 1
192 . 1 . 1 44 44 GLY H H 1 8.410 0.00 . 1 . . . . . 44 GLY H . 50004 1
193 . 1 . 1 44 44 GLY C C 13 173.930 0.01 . 1 . . . . . 44 GLY C . 50004 1
194 . 1 . 1 44 44 GLY CA C 13 45.221 0.00 . 1 . . . . . 44 GLY CA . 50004 1
195 . 1 . 1 44 44 GLY N N 15 108.762 0.00 . 1 . . . . . 44 GLY N . 50004 1
196 . 1 . 1 45 45 LEU H H 1 7.861 0.00 . 1 . . . . . 45 LEU H . 50004 1
197 . 1 . 1 45 45 LEU C C 13 176.801 0.00 . 1 . . . . . 45 LEU C . 50004 1
198 . 1 . 1 45 45 LEU CA C 13 55.096 0.00 . 1 . . . . . 45 LEU CA . 50004 1
199 . 1 . 1 45 45 LEU CB C 13 42.492 0.01 . 1 . . . . . 45 LEU CB . 50004 1
200 . 1 . 1 45 45 LEU N N 15 120.849 0.00 . 1 . . . . . 45 LEU N . 50004 1
201 . 1 . 1 46 46 HIS H H 1 8.366 0.00 . 1 . . . . . 46 HIS H . 50004 1
202 . 1 . 1 46 46 HIS CA C 13 53.216 0.00 . 1 . . . . . 46 HIS CA . 50004 1
203 . 1 . 1 46 46 HIS CB C 13 28.975 0.00 . 1 . . . . . 46 HIS CB . 50004 1
204 . 1 . 1 46 46 HIS N N 15 119.616 0.00 . 1 . . . . . 46 HIS N . 50004 1
205 . 1 . 1 47 47 PRO C C 13 176.485 0.00 . 1 . . . . . 47 PRO C . 50004 1
206 . 1 . 1 47 47 PRO CA C 13 63.041 0.00 . 1 . . . . . 47 PRO CA . 50004 1
207 . 1 . 1 47 47 PRO CB C 13 29.436 0.00 . 1 . . . . . 47 PRO CB . 50004 1
208 . 1 . 1 48 48 ILE H H 1 8.337 0.01 . 1 . . . . . 48 ILE H . 50004 1
209 . 1 . 1 48 48 ILE C C 13 176.589 0.03 . 1 . . . . . 48 ILE C . 50004 1
210 . 1 . 1 48 48 ILE CA C 13 60.933 0.00 . 1 . . . . . 48 ILE CA . 50004 1
211 . 1 . 1 48 48 ILE CB C 13 37.839 0.00 . 1 . . . . . 48 ILE CB . 50004 1
212 . 1 . 1 48 48 ILE N N 15 122.123 0.03 . 1 . . . . . 48 ILE N . 50004 1
213 . 1 . 1 49 49 LEU H H 1 8.656 0.00 . 1 . . . . . 49 LEU H . 50004 1
214 . 1 . 1 49 49 LEU C C 13 176.221 0.00 . 1 . . . . . 49 LEU C . 50004 1
215 . 1 . 1 49 49 LEU CA C 13 54.706 0.00 . 1 . . . . . 49 LEU CA . 50004 1
216 . 1 . 1 49 49 LEU N N 15 127.463 0.00 . 1 . . . . . 49 LEU N . 50004 1
217 . 1 . 1 50 50 THR H H 1 6.732 0.00 . 1 . . . . . 50 THR H . 50004 1
218 . 1 . 1 50 50 THR C C 13 175.767 0.00 . 1 . . . . . 50 THR C . 50004 1
219 . 1 . 1 50 50 THR CA C 13 59.105 0.00 . 1 . . . . . 50 THR CA . 50004 1
220 . 1 . 1 50 50 THR CB C 13 71.327 0.01 . 1 . . . . . 50 THR CB . 50004 1
221 . 1 . 1 50 50 THR N N 15 108.994 0.01 . 1 . . . . . 50 THR N . 50004 1
222 . 1 . 1 51 51 LEU H H 1 9.527 0.00 . 1 . . . . . 51 LEU H . 50004 1
223 . 1 . 1 51 51 LEU C C 13 179.527 0.01 . 1 . . . . . 51 LEU C . 50004 1
224 . 1 . 1 51 51 LEU CA C 13 58.769 0.05 . 1 . . . . . 51 LEU CA . 50004 1
225 . 1 . 1 51 51 LEU CB C 13 41.953 0.01 . 1 . . . . . 51 LEU CB . 50004 1
226 . 1 . 1 51 51 LEU N N 15 121.115 0.01 . 1 . . . . . 51 LEU N . 50004 1
227 . 1 . 1 52 52 SER H H 1 8.654 0.00 . 1 . . . . . 52 SER H . 50004 1
228 . 1 . 1 52 52 SER C C 13 176.799 0.00 . 1 . . . . . 52 SER C . 50004 1
229 . 1 . 1 52 52 SER CB C 13 62.355 0.00 . 1 . . . . . 52 SER CB . 50004 1
230 . 1 . 1 52 52 SER N N 15 113.506 0.00 . 1 . . . . . 52 SER N . 50004 1
231 . 1 . 1 53 53 LYS H H 1 7.683 0.00 . 1 . . . . . 53 LYS H . 50004 1
232 . 1 . 1 53 53 LYS C C 13 180.538 0.00 . 1 . . . . . 53 LYS C . 50004 1
233 . 1 . 1 53 53 LYS CA C 13 58.670 0.02 . 1 . . . . . 53 LYS CA . 50004 1
234 . 1 . 1 53 53 LYS CB C 13 32.578 0.00 . 1 . . . . . 53 LYS CB . 50004 1
235 . 1 . 1 53 53 LYS N N 15 123.266 0.00 . 1 . . . . . 53 LYS N . 50004 1
236 . 1 . 1 54 54 MET H H 1 8.670 0.00 . 1 . . . . . 54 MET H . 50004 1
237 . 1 . 1 54 54 MET C C 13 177.180 0.01 . 1 . . . . . 54 MET C . 50004 1
238 . 1 . 1 54 54 MET CA C 13 60.945 0.00 . 1 . . . . . 54 MET CA . 50004 1
239 . 1 . 1 54 54 MET CB C 13 33.228 0.02 . 1 . . . . . 54 MET CB . 50004 1
240 . 1 . 1 54 54 MET N N 15 122.051 0.01 . 1 . . . . . 54 MET N . 50004 1
241 . 1 . 1 55 55 ASP H H 1 8.174 0.00 . 1 . . . . . 55 ASP H . 50004 1
242 . 1 . 1 55 55 ASP C C 13 177.635 0.01 . 1 . . . . . 55 ASP C . 50004 1
243 . 1 . 1 55 55 ASP CA C 13 59.052 0.00 . 1 . . . . . 55 ASP CA . 50004 1
244 . 1 . 1 55 55 ASP CB C 13 42.929 0.00 . 1 . . . . . 55 ASP CB . 50004 1
245 . 1 . 1 55 55 ASP N N 15 118.865 0.01 . 1 . . . . . 55 ASP N . 50004 1
246 . 1 . 1 56 56 GLN H H 1 8.148 0.00 . 1 . . . . . 56 GLN H . 50004 1
247 . 1 . 1 56 56 GLN C C 13 178.340 0.00 . 1 . . . . . 56 GLN C . 50004 1
248 . 1 . 1 56 56 GLN CA C 13 58.925 0.02 . 1 . . . . . 56 GLN CA . 50004 1
249 . 1 . 1 56 56 GLN CB C 13 28.774 0.00 . 1 . . . . . 56 GLN CB . 50004 1
250 . 1 . 1 56 56 GLN N N 15 116.501 0.00 . 1 . . . . . 56 GLN N . 50004 1
251 . 1 . 1 57 57 THR H H 1 8.135 0.00 . 1 . . . . . 57 THR H . 50004 1
252 . 1 . 1 57 57 THR C C 13 176.000 0.00 . 1 . . . . . 57 THR C . 50004 1
253 . 1 . 1 57 57 THR CB C 13 67.343 0.02 . 1 . . . . . 57 THR CB . 50004 1
254 . 1 . 1 57 57 THR N N 15 116.171 0.01 . 1 . . . . . 57 THR N . 50004 1
255 . 1 . 1 58 58 LEU H H 1 8.010 0.00 . 1 . . . . . 58 LEU H . 50004 1
256 . 1 . 1 58 58 LEU C C 13 178.172 0.02 . 1 . . . . . 58 LEU C . 50004 1
257 . 1 . 1 58 58 LEU CA C 13 58.383 0.01 . 1 . . . . . 58 LEU CA . 50004 1
258 . 1 . 1 58 58 LEU CB C 13 41.515 0.00 . 1 . . . . . 58 LEU CB . 50004 1
259 . 1 . 1 58 58 LEU N N 15 119.397 0.00 . 1 . . . . . 58 LEU N . 50004 1
260 . 1 . 1 59 59 ALA H H 1 8.275 0.00 . 1 . . . . . 59 ALA H . 50004 1
261 . 1 . 1 59 59 ALA C C 13 181.049 0.01 . 1 . . . . . 59 ALA C . 50004 1
262 . 1 . 1 59 59 ALA CA C 13 55.228 0.00 . 1 . . . . . 59 ALA CA . 50004 1
263 . 1 . 1 59 59 ALA CB C 13 17.883 0.02 . 1 . . . . . 59 ALA CB . 50004 1
264 . 1 . 1 59 59 ALA N N 15 121.760 0.01 . 1 . . . . . 59 ALA N . 50004 1
265 . 1 . 1 60 60 VAL H H 1 7.814 0.00 . 1 . . . . . 60 VAL H . 50004 1
266 . 1 . 1 60 60 VAL C C 13 178.893 0.01 . 1 . . . . . 60 VAL C . 50004 1
267 . 1 . 1 60 60 VAL CA C 13 66.575 0.01 . 1 . . . . . 60 VAL CA . 50004 1
268 . 1 . 1 60 60 VAL CB C 13 31.188 0.02 . 1 . . . . . 60 VAL CB . 50004 1
269 . 1 . 1 60 60 VAL N N 15 119.443 0.00 . 1 . . . . . 60 VAL N . 50004 1
270 . 1 . 1 61 61 TYR H H 1 7.919 0.00 . 1 . . . . . 61 TYR H . 50004 1
271 . 1 . 1 61 61 TYR C C 13 178.385 0.01 . 1 . . . . . 61 TYR C . 50004 1
272 . 1 . 1 61 61 TYR CA C 13 63.883 0.01 . 1 . . . . . 61 TYR CA . 50004 1
273 . 1 . 1 61 61 TYR CB C 13 38.446 0.00 . 1 . . . . . 61 TYR CB . 50004 1
274 . 1 . 1 61 61 TYR N N 15 117.490 0.01 . 1 . . . . . 61 TYR N . 50004 1
275 . 1 . 1 62 62 GLN H H 1 8.736 0.00 . 1 . . . . . 62 GLN H . 50004 1
276 . 1 . 1 62 62 GLN C C 13 178.799 0.00 . 1 . . . . . 62 GLN C . 50004 1
277 . 1 . 1 62 62 GLN CA C 13 60.273 0.00 . 1 . . . . . 62 GLN CA . 50004 1
278 . 1 . 1 62 62 GLN CB C 13 29.758 0.01 . 1 . . . . . 62 GLN CB . 50004 1
279 . 1 . 1 62 62 GLN N N 15 118.501 0.01 . 1 . . . . . 62 GLN N . 50004 1
280 . 1 . 1 63 63 GLN H H 1 7.567 0.00 . 1 . . . . . 63 GLN H . 50004 1
281 . 1 . 1 63 63 GLN C C 13 178.913 0.15 . 1 . . . . . 63 GLN C . 50004 1
282 . 1 . 1 63 63 GLN CA C 13 58.895 0.00 . 1 . . . . . 63 GLN CA . 50004 1
283 . 1 . 1 63 63 GLN CB C 13 28.240 0.00 . 1 . . . . . 63 GLN CB . 50004 1
284 . 1 . 1 63 63 GLN N N 15 118.929 0.00 . 1 . . . . . 63 GLN N . 50004 1
285 . 1 . 1 64 64 ILE H H 1 7.859 0.03 . 1 . . . . . 64 ILE H . 50004 1
286 . 1 . 1 64 64 ILE C C 13 179.011 0.23 . 1 . . . . . 64 ILE C . 50004 1
287 . 1 . 1 64 64 ILE CA C 13 65.090 0.00 . 1 . . . . . 64 ILE CA . 50004 1
288 . 1 . 1 64 64 ILE CB C 13 38.858 0.00 . 1 . . . . . 64 ILE CB . 50004 1
289 . 1 . 1 64 64 ILE N N 15 119.957 0.08 . 1 . . . . . 64 ILE N . 50004 1
290 . 1 . 1 65 65 LEU H H 1 8.669 0.00 . 1 . . . . . 65 LEU H . 50004 1
291 . 1 . 1 65 65 LEU C C 13 179.341 0.01 . 1 . . . . . 65 LEU C . 50004 1
292 . 1 . 1 65 65 LEU CA C 13 58.110 0.00 . 1 . . . . . 65 LEU CA . 50004 1
293 . 1 . 1 65 65 LEU CB C 13 40.636 0.00 . 1 . . . . . 65 LEU CB . 50004 1
294 . 1 . 1 65 65 LEU N N 15 118.955 0.01 . 1 . . . . . 65 LEU N . 50004 1
295 . 1 . 1 66 66 THR H H 1 7.804 0.00 . 1 . . . . . 66 THR H . 50004 1
296 . 1 . 1 66 66 THR C C 13 175.223 0.00 . 1 . . . . . 66 THR C . 50004 1
297 . 1 . 1 66 66 THR CA C 13 65.333 0.00 . 1 . . . . . 66 THR CA . 50004 1
298 . 1 . 1 66 66 THR CB C 13 69.391 0.00 . 1 . . . . . 66 THR CB . 50004 1
299 . 1 . 1 66 66 THR N N 15 110.733 0.00 . 1 . . . . . 66 THR N . 50004 1
300 . 1 . 1 67 67 SER H H 1 7.400 0.00 . 1 . . . . . 67 SER H . 50004 1
301 . 1 . 1 67 67 SER C C 13 173.859 0.01 . 1 . . . . . 67 SER C . 50004 1
302 . 1 . 1 67 67 SER CA C 13 59.166 0.02 . 1 . . . . . 67 SER CA . 50004 1
303 . 1 . 1 67 67 SER CB C 13 64.298 0.00 . 1 . . . . . 67 SER CB . 50004 1
304 . 1 . 1 67 67 SER N N 15 114.663 0.00 . 1 . . . . . 67 SER N . 50004 1
305 . 1 . 1 68 68 MET H H 1 7.445 0.00 . 1 . . . . . 68 MET H . 50004 1
306 . 1 . 1 68 68 MET CA C 13 53.563 0.00 . 1 . . . . . 68 MET CA . 50004 1
307 . 1 . 1 68 68 MET CB C 13 32.736 0.00 . 1 . . . . . 68 MET CB . 50004 1
308 . 1 . 1 68 68 MET N N 15 121.982 0.00 . 1 . . . . . 68 MET N . 50004 1
309 . 1 . 1 69 69 PRO C C 13 177.457 0.00 . 1 . . . . . 69 PRO C . 50004 1
310 . 1 . 1 69 69 PRO CB C 13 31.407 0.00 . 1 . . . . . 69 PRO CB . 50004 1
311 . 1 . 1 70 70 SER H H 1 7.920 0.00 . 1 . . . . . 70 SER H . 50004 1
312 . 1 . 1 70 70 SER C C 13 175.212 0.00 . 1 . . . . . 70 SER C . 50004 1
313 . 1 . 1 70 70 SER CA C 13 57.954 0.00 . 1 . . . . . 70 SER CA . 50004 1
314 . 1 . 1 70 70 SER CB C 13 64.240 0.00 . 1 . . . . . 70 SER CB . 50004 1
315 . 1 . 1 70 70 SER N N 15 115.835 0.00 . 1 . . . . . 70 SER N . 50004 1
316 . 1 . 1 71 71 ARG H H 1 8.903 0.00 . 1 . . . . . 71 ARG H . 50004 1
317 . 1 . 1 71 71 ARG C C 13 178.254 0.02 . 1 . . . . . 71 ARG C . 50004 1
318 . 1 . 1 71 71 ARG CA C 13 58.989 0.01 . 1 . . . . . 71 ARG CA . 50004 1
319 . 1 . 1 71 71 ARG CB C 13 29.712 0.01 . 1 . . . . . 71 ARG CB . 50004 1
320 . 1 . 1 71 71 ARG N N 15 123.869 0.01 . 1 . . . . . 71 ARG N . 50004 1
321 . 1 . 1 72 72 ASN H H 1 8.560 0.00 . 1 . . . . . 72 ASN H . 50004 1
322 . 1 . 1 72 72 ASN C C 13 176.932 0.01 . 1 . . . . . 72 ASN C . 50004 1
323 . 1 . 1 72 72 ASN CA C 13 55.197 0.01 . 1 . . . . . 72 ASN CA . 50004 1
324 . 1 . 1 72 72 ASN CB C 13 38.041 0.02 . 1 . . . . . 72 ASN CB . 50004 1
325 . 1 . 1 72 72 ASN N N 15 115.810 0.01 . 1 . . . . . 72 ASN N . 50004 1
326 . 1 . 1 73 73 VAL H H 1 7.437 0.00 . 1 . . . . . 73 VAL H . 50004 1
327 . 1 . 1 73 73 VAL C C 13 179.704 0.00 . 1 . . . . . 73 VAL C . 50004 1
328 . 1 . 1 73 73 VAL CA C 13 64.992 0.00 . 1 . . . . . 73 VAL CA . 50004 1
329 . 1 . 1 73 73 VAL CB C 13 31.915 0.00 . 1 . . . . . 73 VAL CB . 50004 1
330 . 1 . 1 73 73 VAL N N 15 116.838 0.01 . 1 . . . . . 73 VAL N . 50004 1
331 . 1 . 1 74 74 ILE H H 1 7.608 0.00 . 1 . . . . . 74 ILE H . 50004 1
332 . 1 . 1 74 74 ILE C C 13 178.438 0.00 . 1 . . . . . 74 ILE C . 50004 1
333 . 1 . 1 74 74 ILE CA C 13 64.797 0.00 . 1 . . . . . 74 ILE CA . 50004 1
334 . 1 . 1 74 74 ILE CB C 13 37.954 0.00 . 1 . . . . . 74 ILE CB . 50004 1
335 . 1 . 1 74 74 ILE N N 15 111.441 0.00 . 1 . . . . . 74 ILE N . 50004 1
336 . 1 . 1 75 75 GLN H H 1 7.789 0.00 . 1 . . . . . 75 GLN H . 50004 1
337 . 1 . 1 75 75 GLN C C 13 178.124 0.00 . 1 . . . . . 75 GLN C . 50004 1
338 . 1 . 1 75 75 GLN CA C 13 58.780 0.00 . 1 . . . . . 75 GLN CA . 50004 1
339 . 1 . 1 75 75 GLN CB C 13 28.291 0.01 . 1 . . . . . 75 GLN CB . 50004 1
340 . 1 . 1 75 75 GLN N N 15 117.974 0.00 . 1 . . . . . 75 GLN N . 50004 1
341 . 1 . 1 76 76 ILE H H 1 7.461 0.00 . 1 . . . . . 76 ILE H . 50004 1
342 . 1 . 1 76 76 ILE C C 13 177.852 0.00 . 1 . . . . . 76 ILE C . 50004 1
343 . 1 . 1 76 76 ILE CA C 13 63.477 0.13 . 1 . . . . . 76 ILE CA . 50004 1
344 . 1 . 1 76 76 ILE CB C 13 36.938 0.01 . 1 . . . . . 76 ILE CB . 50004 1
345 . 1 . 1 76 76 ILE N N 15 118.378 0.00 . 1 . . . . . 76 ILE N . 50004 1
346 . 1 . 1 77 77 SER H H 1 8.472 0.00 . 1 . . . . . 77 SER H . 50004 1
347 . 1 . 1 77 77 SER C C 13 177.249 0.04 . 1 . . . . . 77 SER C . 50004 1
348 . 1 . 1 77 77 SER CA C 13 59.520 0.00 . 1 . . . . . 77 SER CA . 50004 1
349 . 1 . 1 77 77 SER CB C 13 63.511 0.00 . 1 . . . . . 77 SER CB . 50004 1
350 . 1 . 1 77 77 SER N N 15 115.967 0.01 . 1 . . . . . 77 SER N . 50004 1
351 . 1 . 1 78 78 ASN H H 1 7.987 0.01 . 1 . . . . . 78 ASN H . 50004 1
352 . 1 . 1 78 78 ASN C C 13 179.243 0.00 . 1 . . . . . 78 ASN C . 50004 1
353 . 1 . 1 78 78 ASN CB C 13 37.990 0.00 . 1 . . . . . 78 ASN CB . 50004 1
354 . 1 . 1 78 78 ASN N N 15 122.335 0.01 . 1 . . . . . 78 ASN N . 50004 1
355 . 1 . 1 79 79 ASP H H 1 7.799 0.00 . 1 . . . . . 79 ASP H . 50004 1
356 . 1 . 1 79 79 ASP C C 13 179.575 0.00 . 1 . . . . . 79 ASP C . 50004 1
357 . 1 . 1 79 79 ASP CA C 13 58.561 0.00 . 1 . . . . . 79 ASP CA . 50004 1
358 . 1 . 1 79 79 ASP CB C 13 40.118 0.00 . 1 . . . . . 79 ASP CB . 50004 1
359 . 1 . 1 79 79 ASP N N 15 121.960 0.01 . 1 . . . . . 79 ASP N . 50004 1
360 . 1 . 1 80 80 LEU H H 1 8.565 0.00 . 1 . . . . . 80 LEU H . 50004 1
361 . 1 . 1 80 80 LEU C C 13 178.877 0.01 . 1 . . . . . 80 LEU C . 50004 1
362 . 1 . 1 80 80 LEU CA C 13 57.892 0.00 . 1 . . . . . 80 LEU CA . 50004 1
363 . 1 . 1 80 80 LEU CB C 13 41.457 0.00 . 1 . . . . . 80 LEU CB . 50004 1
364 . 1 . 1 80 80 LEU N N 15 118.690 0.00 . 1 . . . . . 80 LEU N . 50004 1
365 . 1 . 1 81 81 GLU H H 1 7.761 0.00 . 1 . . . . . 81 GLU H . 50004 1
366 . 1 . 1 81 81 GLU C C 13 178.641 0.01 . 1 . . . . . 81 GLU C . 50004 1
367 . 1 . 1 81 81 GLU CA C 13 59.662 0.01 . 1 . . . . . 81 GLU CA . 50004 1
368 . 1 . 1 81 81 GLU CB C 13 28.955 0.02 . 1 . . . . . 81 GLU CB . 50004 1
369 . 1 . 1 81 81 GLU N N 15 120.713 0.00 . 1 . . . . . 81 GLU N . 50004 1
370 . 1 . 1 82 82 ASN H H 1 7.549 0.00 . 1 . . . . . 82 ASN H . 50004 1
371 . 1 . 1 82 82 ASN C C 13 177.794 0.00 . 1 . . . . . 82 ASN C . 50004 1
372 . 1 . 1 82 82 ASN CA C 13 55.903 0.00 . 1 . . . . . 82 ASN CA . 50004 1
373 . 1 . 1 82 82 ASN CB C 13 38.008 0.01 . 1 . . . . . 82 ASN CB . 50004 1
374 . 1 . 1 82 82 ASN N N 15 117.641 0.01 . 1 . . . . . 82 ASN N . 50004 1
375 . 1 . 1 83 83 LEU H H 1 8.516 0.00 . 1 . . . . . 83 LEU H . 50004 1
376 . 1 . 1 83 83 LEU C C 13 177.815 0.01 . 1 . . . . . 83 LEU C . 50004 1
377 . 1 . 1 83 83 LEU CA C 13 57.954 0.01 . 1 . . . . . 83 LEU CA . 50004 1
378 . 1 . 1 83 83 LEU CB C 13 41.358 0.02 . 1 . . . . . 83 LEU CB . 50004 1
379 . 1 . 1 83 83 LEU N N 15 122.720 0.01 . 1 . . . . . 83 LEU N . 50004 1
380 . 1 . 1 84 84 ARG H H 1 8.599 0.00 . 1 . . . . . 84 ARG H . 50004 1
381 . 1 . 1 84 84 ARG C C 13 177.193 0.00 . 1 . . . . . 84 ARG C . 50004 1
382 . 1 . 1 84 84 ARG N N 15 119.357 0.01 . 1 . . . . . 84 ARG N . 50004 1
383 . 1 . 1 85 85 ASP H H 1 7.970 0.00 . 1 . . . . . 85 ASP H . 50004 1
384 . 1 . 1 85 85 ASP C C 13 177.940 0.00 . 1 . . . . . 85 ASP C . 50004 1
385 . 1 . 1 85 85 ASP CA C 13 56.347 0.00 . 1 . . . . . 85 ASP CA . 50004 1
386 . 1 . 1 85 85 ASP CB C 13 38.105 0.02 . 1 . . . . . 85 ASP CB . 50004 1
387 . 1 . 1 85 85 ASP N N 15 120.802 0.00 . 1 . . . . . 85 ASP N . 50004 1
388 . 1 . 1 86 86 LEU H H 1 8.108 0.00 . 1 . . . . . 86 LEU H . 50004 1
389 . 1 . 1 86 86 LEU C C 13 179.052 0.12 . 1 . . . . . 86 LEU C . 50004 1
390 . 1 . 1 86 86 LEU CA C 13 58.038 0.00 . 1 . . . . . 86 LEU CA . 50004 1
391 . 1 . 1 86 86 LEU N N 15 122.319 0.01 . 1 . . . . . 86 LEU N . 50004 1
392 . 1 . 1 87 87 LEU H H 1 8.574 0.01 . 1 . . . . . 87 LEU H . 50004 1
393 . 1 . 1 87 87 LEU C C 13 179.672 0.01 . 1 . . . . . 87 LEU C . 50004 1
394 . 1 . 1 87 87 LEU CA C 13 57.999 0.01 . 1 . . . . . 87 LEU CA . 50004 1
395 . 1 . 1 87 87 LEU CB C 13 41.688 0.07 . 1 . . . . . 87 LEU CB . 50004 1
396 . 1 . 1 87 87 LEU N N 15 118.693 0.01 . 1 . . . . . 87 LEU N . 50004 1
397 . 1 . 1 88 88 HIS H H 1 8.212 0.00 . 1 . . . . . 88 HIS H . 50004 1
398 . 1 . 1 88 88 HIS C C 13 177.539 0.00 . 1 . . . . . 88 HIS C . 50004 1
399 . 1 . 1 88 88 HIS CA C 13 59.314 0.01 . 1 . . . . . 88 HIS CA . 50004 1
400 . 1 . 1 88 88 HIS CB C 13 27.727 0.00 . 1 . . . . . 88 HIS CB . 50004 1
401 . 1 . 1 88 88 HIS N N 15 117.002 0.00 . 1 . . . . . 88 HIS N . 50004 1
402 . 1 . 1 89 89 VAL H H 1 8.071 0.00 . 1 . . . . . 89 VAL H . 50004 1
403 . 1 . 1 89 89 VAL C C 13 179.525 0.00 . 1 . . . . . 89 VAL C . 50004 1
404 . 1 . 1 89 89 VAL CA C 13 67.034 0.01 . 1 . . . . . 89 VAL CA . 50004 1
405 . 1 . 1 89 89 VAL CB C 13 31.392 0.01 . 1 . . . . . 89 VAL CB . 50004 1
406 . 1 . 1 89 89 VAL N N 15 123.931 0.01 . 1 . . . . . 89 VAL N . 50004 1
407 . 1 . 1 90 90 LEU H H 1 8.715 0.00 . 1 . . . . . 90 LEU H . 50004 1
408 . 1 . 1 90 90 LEU C C 13 179.750 0.01 . 1 . . . . . 90 LEU C . 50004 1
409 . 1 . 1 90 90 LEU CA C 13 58.284 0.01 . 1 . . . . . 90 LEU CA . 50004 1
410 . 1 . 1 90 90 LEU CB C 13 41.694 0.01 . 1 . . . . . 90 LEU CB . 50004 1
411 . 1 . 1 90 90 LEU N N 15 123.377 0.01 . 1 . . . . . 90 LEU N . 50004 1
412 . 1 . 1 91 91 ALA H H 1 8.700 0.00 . 1 . . . . . 91 ALA H . 50004 1
413 . 1 . 1 91 91 ALA C C 13 179.719 0.00 . 1 . . . . . 91 ALA C . 50004 1
414 . 1 . 1 91 91 ALA CA C 13 55.594 0.01 . 1 . . . . . 91 ALA CA . 50004 1
415 . 1 . 1 91 91 ALA CB C 13 18.119 0.01 . 1 . . . . . 91 ALA CB . 50004 1
416 . 1 . 1 91 91 ALA N N 15 121.747 0.01 . 1 . . . . . 91 ALA N . 50004 1
417 . 1 . 1 92 92 PHE H H 1 8.449 0.00 . 1 . . . . . 92 PHE H . 50004 1
418 . 1 . 1 92 92 PHE C C 13 180.395 0.01 . 1 . . . . . 92 PHE C . 50004 1
419 . 1 . 1 92 92 PHE CA C 13 61.243 0.00 . 1 . . . . . 92 PHE CA . 50004 1
420 . 1 . 1 92 92 PHE CB C 13 38.572 0.00 . 1 . . . . . 92 PHE CB . 50004 1
421 . 1 . 1 92 92 PHE N N 15 120.146 0.00 . 1 . . . . . 92 PHE N . 50004 1
422 . 1 . 1 93 93 SER H H 1 8.394 0.00 . 1 . . . . . 93 SER H . 50004 1
423 . 1 . 1 93 93 SER C C 13 174.862 0.00 . 1 . . . . . 93 SER C . 50004 1
424 . 1 . 1 93 93 SER CA C 13 61.597 0.00 . 1 . . . . . 93 SER CA . 50004 1
425 . 1 . 1 93 93 SER CB C 13 63.122 0.02 . 1 . . . . . 93 SER CB . 50004 1
426 . 1 . 1 93 93 SER N N 15 117.404 0.00 . 1 . . . . . 93 SER N . 50004 1
427 . 1 . 1 94 94 LYS H H 1 7.433 0.00 . 1 . . . . . 94 LYS H . 50004 1
428 . 1 . 1 94 94 LYS C C 13 175.338 0.01 . 1 . . . . . 94 LYS C . 50004 1
429 . 1 . 1 94 94 LYS CA C 13 55.644 0.00 . 1 . . . . . 94 LYS CA . 50004 1
430 . 1 . 1 94 94 LYS CB C 13 32.546 0.01 . 1 . . . . . 94 LYS CB . 50004 1
431 . 1 . 1 94 94 LYS N N 15 121.384 0.00 . 1 . . . . . 94 LYS N . 50004 1
432 . 1 . 1 95 95 SER H H 1 7.878 0.00 . 1 . . . . . 95 SER H . 50004 1
433 . 1 . 1 95 95 SER C C 13 173.566 0.00 . 1 . . . . . 95 SER C . 50004 1
434 . 1 . 1 95 95 SER CA C 13 58.936 0.01 . 1 . . . . . 95 SER CA . 50004 1
435 . 1 . 1 95 95 SER CB C 13 61.236 0.02 . 1 . . . . . 95 SER CB . 50004 1
436 . 1 . 1 95 95 SER N N 15 111.873 0.01 . 1 . . . . . 95 SER N . 50004 1
437 . 1 . 1 96 96 CYS H H 1 8.072 0.00 . 1 . . . . . 96 CYS H . 50004 1
438 . 1 . 1 96 96 CYS C C 13 173.790 0.00 . 1 . . . . . 96 CYS C . 50004 1
439 . 1 . 1 96 96 CYS CA C 13 52.922 0.00 . 1 . . . . . 96 CYS CA . 50004 1
440 . 1 . 1 96 96 CYS CB C 13 37.900 0.00 . 1 . . . . . 96 CYS CB . 50004 1
441 . 1 . 1 96 96 CYS N N 15 116.515 0.01 . 1 . . . . . 96 CYS N . 50004 1
442 . 1 . 1 97 97 HIS H H 1 8.853 0.00 . 1 . . . . . 97 HIS H . 50004 1
443 . 1 . 1 97 97 HIS C C 13 173.981 0.01 . 1 . . . . . 97 HIS C . 50004 1
444 . 1 . 1 97 97 HIS CA C 13 54.569 0.00 . 1 . . . . . 97 HIS CA . 50004 1
445 . 1 . 1 97 97 HIS CB C 13 29.195 0.01 . 1 . . . . . 97 HIS CB . 50004 1
446 . 1 . 1 97 97 HIS N N 15 123.701 0.01 . 1 . . . . . 97 HIS N . 50004 1
447 . 1 . 1 98 98 LEU H H 1 8.466 0.00 . 1 . . . . . 98 LEU H . 50004 1
448 . 1 . 1 98 98 LEU CA C 13 52.731 0.00 . 1 . . . . . 98 LEU CA . 50004 1
449 . 1 . 1 98 98 LEU CB C 13 40.331 0.00 . 1 . . . . . 98 LEU CB . 50004 1
450 . 1 . 1 98 98 LEU N N 15 126.622 0.00 . 1 . . . . . 98 LEU N . 50004 1
451 . 1 . 1 99 99 PRO C C 13 176.890 0.00 . 1 . . . . . 99 PRO C . 50004 1
452 . 1 . 1 99 99 PRO CA C 13 62.498 0.00 . 1 . . . . . 99 PRO CA . 50004 1
453 . 1 . 1 99 99 PRO CB C 13 32.320 0.00 . 1 . . . . . 99 PRO CB . 50004 1
454 . 1 . 1 100 100 GLU H H 1 8.541 0.00 . 1 . . . . . 100 GLU H . 50004 1
455 . 1 . 1 100 100 GLU C C 13 176.298 0.13 . 1 . . . . . 100 GLU C . 50004 1
456 . 1 . 1 100 100 GLU CA C 13 56.818 0.00 . 1 . . . . . 100 GLU CA . 50004 1
457 . 1 . 1 100 100 GLU CB C 13 29.912 0.00 . 1 . . . . . 100 GLU CB . 50004 1
458 . 1 . 1 100 100 GLU N N 15 121.726 0.00 . 1 . . . . . 100 GLU N . 50004 1
459 . 1 . 1 101 101 ALA H H 1 8.381 0.00 . 1 . . . . . 101 ALA H . 50004 1
460 . 1 . 1 101 101 ALA C C 13 177.335 0.13 . 1 . . . . . 101 ALA C . 50004 1
461 . 1 . 1 101 101 ALA CA C 13 52.248 0.00 . 1 . . . . . 101 ALA CA . 50004 1
462 . 1 . 1 101 101 ALA CB C 13 19.447 0.00 . 1 . . . . . 101 ALA CB . 50004 1
463 . 1 . 1 101 101 ALA N N 15 126.463 0.00 . 1 . . . . . 101 ALA N . 50004 1
464 . 1 . 1 102 102 SER H H 1 8.681 0.00 . 1 . . . . . 102 SER H . 50004 1
465 . 1 . 1 102 102 SER C C 13 175.360 0.00 . 1 . . . . . 102 SER C . 50004 1
466 . 1 . 1 102 102 SER CA C 13 58.334 0.01 . 1 . . . . . 102 SER CA . 50004 1
467 . 1 . 1 102 102 SER CB C 13 64.328 0.00 . 1 . . . . . 102 SER CB . 50004 1
468 . 1 . 1 102 102 SER N N 15 116.792 0.00 . 1 . . . . . 102 SER N . 50004 1
469 . 1 . 1 103 103 GLY H H 1 8.611 0.01 . 1 . . . . . 103 GLY H . 50004 1
470 . 1 . 1 103 103 GLY C C 13 174.537 0.15 . 1 . . . . . 103 GLY C . 50004 1
471 . 1 . 1 103 103 GLY CA C 13 45.552 0.00 . 1 . . . . . 103 GLY CA . 50004 1
472 . 1 . 1 103 103 GLY N N 15 111.168 0.02 . 1 . . . . . 103 GLY N . 50004 1
473 . 1 . 1 104 104 LEU H H 1 7.511 0.00 . 1 . . . . . 104 LEU H . 50004 1
474 . 1 . 1 104 104 LEU C C 13 177.617 0.00 . 1 . . . . . 104 LEU C . 50004 1
475 . 1 . 1 104 104 LEU CA C 13 55.267 0.00 . 1 . . . . . 104 LEU CA . 50004 1
476 . 1 . 1 104 104 LEU CB C 13 42.260 0.00 . 1 . . . . . 104 LEU CB . 50004 1
477 . 1 . 1 104 104 LEU N N 15 124.323 0.00 . 1 . . . . . 104 LEU N . 50004 1
478 . 1 . 1 105 105 GLU H H 1 8.442 0.00 . 1 . . . . . 105 GLU H . 50004 1
479 . 1 . 1 105 105 GLU C C 13 176.524 0.01 . 1 . . . . . 105 GLU C . 50004 1
480 . 1 . 1 105 105 GLU CA C 13 57.296 0.00 . 1 . . . . . 105 GLU CA . 50004 1
481 . 1 . 1 105 105 GLU CB C 13 29.930 0.00 . 1 . . . . . 105 GLU CB . 50004 1
482 . 1 . 1 105 105 GLU N N 15 120.818 0.00 . 1 . . . . . 105 GLU N . 50004 1
483 . 1 . 1 106 106 THR H H 1 8.043 0.00 . 1 . . . . . 106 THR H . 50004 1
484 . 1 . 1 106 106 THR CA C 13 58.941 0.00 . 1 . . . . . 106 THR CA . 50004 1
485 . 1 . 1 106 106 THR CB C 13 70.025 0.00 . 1 . . . . . 106 THR CB . 50004 1
486 . 1 . 1 106 106 THR N N 15 113.609 0.01 . 1 . . . . . 106 THR N . 50004 1
487 . 1 . 1 107 107 LEU H H 1 8.239 0.00 . 1 . . . . . 107 LEU H . 50004 1
488 . 1 . 1 107 107 LEU C C 13 177.781 0.00 . 1 . . . . . 107 LEU C . 50004 1
489 . 1 . 1 107 107 LEU CA C 13 55.731 0.00 . 1 . . . . . 107 LEU CA . 50004 1
490 . 1 . 1 107 107 LEU CB C 13 42.393 0.01 . 1 . . . . . 107 LEU CB . 50004 1
491 . 1 . 1 107 107 LEU N N 15 123.496 0.03 . 1 . . . . . 107 LEU N . 50004 1
492 . 1 . 1 108 108 ASP H H 1 8.312 0.00 . 1 . . . . . 108 ASP H . 50004 1
493 . 1 . 1 108 108 ASP C C 13 177.292 0.00 . 1 . . . . . 108 ASP C . 50004 1
494 . 1 . 1 108 108 ASP CA C 13 55.294 0.05 . 1 . . . . . 108 ASP CA . 50004 1
495 . 1 . 1 108 108 ASP CB C 13 40.834 0.00 . 1 . . . . . 108 ASP CB . 50004 1
496 . 1 . 1 108 108 ASP N N 15 120.312 0.00 . 1 . . . . . 108 ASP N . 50004 1
497 . 1 . 1 109 109 SER H H 1 8.075 0.00 . 1 . . . . . 109 SER H . 50004 1
498 . 1 . 1 109 109 SER C C 13 175.226 0.06 . 1 . . . . . 109 SER C . 50004 1
499 . 1 . 1 109 109 SER CA C 13 59.511 0.00 . 1 . . . . . 109 SER CA . 50004 1
500 . 1 . 1 109 109 SER CB C 13 63.499 0.00 . 1 . . . . . 109 SER CB . 50004 1
501 . 1 . 1 109 109 SER N N 15 115.132 0.01 . 1 . . . . . 109 SER N . 50004 1
502 . 1 . 1 110 110 LEU H H 1 7.889 0.00 . 1 . . . . . 110 LEU H . 50004 1
503 . 1 . 1 110 110 LEU C C 13 177.884 0.03 . 1 . . . . . 110 LEU C . 50004 1
504 . 1 . 1 110 110 LEU CA C 13 55.499 0.06 . 1 . . . . . 110 LEU CA . 50004 1
505 . 1 . 1 110 110 LEU CB C 13 42.121 0.07 . 1 . . . . . 110 LEU CB . 50004 1
506 . 1 . 1 110 110 LEU N N 15 121.980 0.00 . 1 . . . . . 110 LEU N . 50004 1
507 . 1 . 1 111 111 GLY H H 1 8.087 0.00 . 1 . . . . . 111 GLY H . 50004 1
508 . 1 . 1 111 111 GLY C C 13 174.873 0.00 . 1 . . . . . 111 GLY C . 50004 1
509 . 1 . 1 111 111 GLY CA C 13 45.927 0.00 . 1 . . . . . 111 GLY CA . 50004 1
510 . 1 . 1 111 111 GLY N N 15 107.763 0.00 . 1 . . . . . 111 GLY N . 50004 1
511 . 1 . 1 112 112 GLY H H 1 8.227 0.00 . 1 . . . . . 112 GLY H . 50004 1
512 . 1 . 1 112 112 GLY C C 13 175.794 0.00 . 1 . . . . . 112 GLY C . 50004 1
513 . 1 . 1 112 112 GLY CA C 13 45.312 0.09 . 1 . . . . . 112 GLY CA . 50004 1
514 . 1 . 1 112 112 GLY N N 15 108.877 0.01 . 1 . . . . . 112 GLY N . 50004 1
515 . 1 . 1 113 113 VAL H H 1 7.868 0.01 . 1 . . . . . 113 VAL H . 50004 1
516 . 1 . 1 113 113 VAL C C 13 176.579 0.15 . 1 . . . . . 113 VAL C . 50004 1
517 . 1 . 1 113 113 VAL CA C 13 63.322 0.00 . 1 . . . . . 113 VAL CA . 50004 1
518 . 1 . 1 113 113 VAL CB C 13 32.375 0.00 . 1 . . . . . 113 VAL CB . 50004 1
519 . 1 . 1 113 113 VAL N N 15 120.772 0.06 . 1 . . . . . 113 VAL N . 50004 1
520 . 1 . 1 114 114 LEU H H 1 8.210 0.00 . 1 . . . . . 114 LEU H . 50004 1
521 . 1 . 1 114 114 LEU C C 13 176.982 0.01 . 1 . . . . . 114 LEU C . 50004 1
522 . 1 . 1 114 114 LEU CA C 13 55.368 0.01 . 1 . . . . . 114 LEU CA . 50004 1
523 . 1 . 1 114 114 LEU CB C 13 42.308 0.01 . 1 . . . . . 114 LEU CB . 50004 1
524 . 1 . 1 114 114 LEU N N 15 124.149 0.01 . 1 . . . . . 114 LEU N . 50004 1
525 . 1 . 1 115 115 GLU H H 1 8.206 0.00 . 1 . . . . . 115 GLU H . 50004 1
526 . 1 . 1 115 115 GLU C C 13 176.649 0.00 . 1 . . . . . 115 GLU C . 50004 1
527 . 1 . 1 115 115 GLU CA C 13 56.770 0.00 . 1 . . . . . 115 GLU CA . 50004 1
528 . 1 . 1 115 115 GLU CB C 13 30.299 0.01 . 1 . . . . . 115 GLU CB . 50004 1
529 . 1 . 1 115 115 GLU N N 15 121.341 0.01 . 1 . . . . . 115 GLU N . 50004 1
530 . 1 . 1 116 116 ALA H H 1 8.294 0.00 . 1 . . . . . 116 ALA H . 50004 1
531 . 1 . 1 116 116 ALA C C 13 177.845 0.00 . 1 . . . . . 116 ALA C . 50004 1
532 . 1 . 1 116 116 ALA CA C 13 53.180 0.00 . 1 . . . . . 116 ALA CA . 50004 1
533 . 1 . 1 116 116 ALA CB C 13 19.197 0.00 . 1 . . . . . 116 ALA CB . 50004 1
534 . 1 . 1 116 116 ALA N N 15 124.323 0.00 . 1 . . . . . 116 ALA N . 50004 1
535 . 1 . 1 117 117 SER H H 1 8.103 0.00 . 1 . . . . . 117 SER H . 50004 1
536 . 1 . 1 117 117 SER C C 13 175.186 0.01 . 1 . . . . . 117 SER C . 50004 1
537 . 1 . 1 117 117 SER CA C 13 58.989 0.00 . 1 . . . . . 117 SER CA . 50004 1
538 . 1 . 1 117 117 SER CB C 13 63.734 0.00 . 1 . . . . . 117 SER CB . 50004 1
539 . 1 . 1 117 117 SER N N 15 113.605 0.00 . 1 . . . . . 117 SER N . 50004 1
540 . 1 . 1 118 118 GLY H H 1 8.203 0.00 . 1 . . . . . 118 GLY H . 50004 1
541 . 1 . 1 118 118 GLY C C 13 173.976 0.00 . 1 . . . . . 118 GLY C . 50004 1
542 . 1 . 1 118 118 GLY CA C 13 45.438 0.00 . 1 . . . . . 118 GLY CA . 50004 1
543 . 1 . 1 118 118 GLY N N 15 109.927 0.01 . 1 . . . . . 118 GLY N . 50004 1
544 . 1 . 1 119 119 TYR H H 1 7.913 0.00 . 1 . . . . . 119 TYR H . 50004 1
545 . 1 . 1 119 119 TYR C C 13 175.694 0.00 . 1 . . . . . 119 TYR C . 50004 1
546 . 1 . 1 119 119 TYR CA C 13 57.761 0.04 . 1 . . . . . 119 TYR CA . 50004 1
547 . 1 . 1 119 119 TYR CB C 13 39.115 0.01 . 1 . . . . . 119 TYR CB . 50004 1
548 . 1 . 1 119 119 TYR N N 15 119.181 0.00 . 1 . . . . . 119 TYR N . 50004 1
549 . 1 . 1 120 120 SER H H 1 8.199 0.01 . 1 . . . . . 120 SER H . 50004 1
550 . 1 . 1 120 120 SER C C 13 177.546 0.02 . 1 . . . . . 120 SER C . 50004 1
551 . 1 . 1 120 120 SER CB C 13 64.048 0.00 . 1 . . . . . 120 SER CB . 50004 1
552 . 1 . 1 120 120 SER N N 15 115.534 0.07 . 1 . . . . . 120 SER N . 50004 1
553 . 1 . 1 121 121 THR H H 1 7.986 0.00 . 1 . . . . . 121 THR H . 50004 1
554 . 1 . 1 121 121 THR C C 13 173.587 0.00 . 1 . . . . . 121 THR C . 50004 1
555 . 1 . 1 121 121 THR N N 15 123.425 0.00 . 1 . . . . . 121 THR N . 50004 1
556 . 1 . 1 122 122 GLU H H 1 7.847 0.00 . 1 . . . . . 122 GLU H . 50004 1
557 . 1 . 1 122 122 GLU C C 13 175.412 0.00 . 1 . . . . . 122 GLU C . 50004 1
558 . 1 . 1 123 123 VAL H H 1 8.753 0.00 . 1 . . . . . 123 VAL H . 50004 1
559 . 1 . 1 123 123 VAL C C 13 177.535 0.01 . 1 . . . . . 123 VAL C . 50004 1
560 . 1 . 1 123 123 VAL CA C 13 60.383 0.03 . 1 . . . . . 123 VAL CA . 50004 1
561 . 1 . 1 123 123 VAL CB C 13 30.227 0.01 . 1 . . . . . 123 VAL CB . 50004 1
562 . 1 . 1 123 123 VAL N N 15 122.929 0.00 . 1 . . . . . 123 VAL N . 50004 1
563 . 1 . 1 124 124 VAL H H 1 7.779 0.00 . 1 . . . . . 124 VAL H . 50004 1
564 . 1 . 1 124 124 VAL C C 13 178.715 0.01 . 1 . . . . . 124 VAL C . 50004 1
565 . 1 . 1 124 124 VAL CA C 13 66.315 0.12 . 1 . . . . . 124 VAL CA . 50004 1
566 . 1 . 1 124 124 VAL CB C 13 31.791 0.07 . 1 . . . . . 124 VAL CB . 50004 1
567 . 1 . 1 124 124 VAL N N 15 116.857 0.01 . 1 . . . . . 124 VAL N . 50004 1
568 . 1 . 1 125 125 ALA H H 1 7.530 0.00 . 1 . . . . . 125 ALA H . 50004 1
569 . 1 . 1 125 125 ALA C C 13 179.716 0.00 . 1 . . . . . 125 ALA C . 50004 1
570 . 1 . 1 125 125 ALA CA C 13 56.049 0.00 . 1 . . . . . 125 ALA CA . 50004 1
571 . 1 . 1 125 125 ALA CB C 13 18.515 0.00 . 1 . . . . . 125 ALA CB . 50004 1
572 . 1 . 1 125 125 ALA N N 15 121.509 0.00 . 1 . . . . . 125 ALA N . 50004 1
573 . 1 . 1 126 126 LEU H H 1 8.349 0.00 . 1 . . . . . 126 LEU H . 50004 1
574 . 1 . 1 126 126 LEU C C 13 178.840 0.01 . 1 . . . . . 126 LEU C . 50004 1
575 . 1 . 1 126 126 LEU CA C 13 57.793 0.00 . 1 . . . . . 126 LEU CA . 50004 1
576 . 1 . 1 126 126 LEU CB C 13 41.087 0.00 . 1 . . . . . 126 LEU CB . 50004 1
577 . 1 . 1 126 126 LEU N N 15 114.328 0.00 . 1 . . . . . 126 LEU N . 50004 1
578 . 1 . 1 127 127 SER H H 1 7.984 0.00 . 1 . . . . . 127 SER H . 50004 1
579 . 1 . 1 127 127 SER C C 13 177.817 0.09 . 1 . . . . . 127 SER C . 50004 1
580 . 1 . 1 127 127 SER CA C 13 57.809 0.00 . 1 . . . . . 127 SER CA . 50004 1
581 . 1 . 1 127 127 SER CB C 13 62.858 0.00 . 1 . . . . . 127 SER CB . 50004 1
582 . 1 . 1 127 127 SER N N 15 115.671 0.00 . 1 . . . . . 127 SER N . 50004 1
583 . 1 . 1 128 128 ARG H H 1 8.522 0.00 . 1 . . . . . 128 ARG H . 50004 1
584 . 1 . 1 128 128 ARG C C 13 179.314 0.00 . 1 . . . . . 128 ARG C . 50004 1
585 . 1 . 1 128 128 ARG CA C 13 58.933 0.00 . 1 . . . . . 128 ARG CA . 50004 1
586 . 1 . 1 128 128 ARG CB C 13 29.480 0.00 . 1 . . . . . 128 ARG CB . 50004 1
587 . 1 . 1 128 128 ARG N N 15 119.299 0.01 . 1 . . . . . 128 ARG N . 50004 1
588 . 1 . 1 129 129 LEU H H 1 8.250 0.00 . 1 . . . . . 129 LEU H . 50004 1
589 . 1 . 1 129 129 LEU C C 13 177.700 0.00 . 1 . . . . . 129 LEU C . 50004 1
590 . 1 . 1 129 129 LEU CA C 13 57.966 0.01 . 1 . . . . . 129 LEU CA . 50004 1
591 . 1 . 1 129 129 LEU CB C 13 40.572 0.01 . 1 . . . . . 129 LEU CB . 50004 1
592 . 1 . 1 129 129 LEU N N 15 121.989 0.01 . 1 . . . . . 129 LEU N . 50004 1
593 . 1 . 1 130 130 GLN H H 1 8.428 0.00 . 1 . . . . . 130 GLN H . 50004 1
594 . 1 . 1 130 130 GLN C C 13 177.838 0.01 . 1 . . . . . 130 GLN C . 50004 1
595 . 1 . 1 130 130 GLN CA C 13 60.348 0.00 . 1 . . . . . 130 GLN CA . 50004 1
596 . 1 . 1 130 130 GLN CB C 13 28.801 0.01 . 1 . . . . . 130 GLN CB . 50004 1
597 . 1 . 1 130 130 GLN N N 15 118.436 0.01 . 1 . . . . . 130 GLN N . 50004 1
598 . 1 . 1 131 131 GLY H H 1 7.739 0.00 . 1 . . . . . 131 GLY H . 50004 1
599 . 1 . 1 131 131 GLY C C 13 176.621 0.01 . 1 . . . . . 131 GLY C . 50004 1
600 . 1 . 1 131 131 GLY CA C 13 47.419 0.00 . 1 . . . . . 131 GLY CA . 50004 1
601 . 1 . 1 131 131 GLY N N 15 105.315 0.01 . 1 . . . . . 131 GLY N . 50004 1
602 . 1 . 1 132 132 SER H H 1 8.298 0.00 . 1 . . . . . 132 SER H . 50004 1
603 . 1 . 1 132 132 SER C C 13 176.734 0.03 . 1 . . . . . 132 SER C . 50004 1
604 . 1 . 1 132 132 SER CB C 13 63.296 0.00 . 1 . . . . . 132 SER CB . 50004 1
605 . 1 . 1 132 132 SER N N 15 119.499 0.00 . 1 . . . . . 132 SER N . 50004 1
606 . 1 . 1 133 133 LEU H H 1 8.716 0.00 . 1 . . . . . 133 LEU H . 50004 1
607 . 1 . 1 133 133 LEU C C 13 178.504 0.01 . 1 . . . . . 133 LEU C . 50004 1
608 . 1 . 1 133 133 LEU CA C 13 57.738 0.01 . 1 . . . . . 133 LEU CA . 50004 1
609 . 1 . 1 133 133 LEU CB C 13 41.088 0.01 . 1 . . . . . 133 LEU CB . 50004 1
610 . 1 . 1 133 133 LEU N N 15 122.125 0.00 . 1 . . . . . 133 LEU N . 50004 1
611 . 1 . 1 134 134 GLN H H 1 8.182 0.00 . 1 . . . . . 134 GLN H . 50004 1
612 . 1 . 1 134 134 GLN C C 13 178.688 0.01 . 1 . . . . . 134 GLN C . 50004 1
613 . 1 . 1 134 134 GLN CA C 13 59.403 0.01 . 1 . . . . . 134 GLN CA . 50004 1
614 . 1 . 1 134 134 GLN CB C 13 28.041 0.01 . 1 . . . . . 134 GLN CB . 50004 1
615 . 1 . 1 134 134 GLN N N 15 119.089 0.01 . 1 . . . . . 134 GLN N . 50004 1
616 . 1 . 1 135 135 ASP H H 1 7.735 0.00 . 1 . . . . . 135 ASP H . 50004 1
617 . 1 . 1 135 135 ASP C C 13 178.561 0.01 . 1 . . . . . 135 ASP C . 50004 1
618 . 1 . 1 135 135 ASP CA C 13 54.910 0.00 . 1 . . . . . 135 ASP CA . 50004 1
619 . 1 . 1 135 135 ASP CB C 13 40.617 0.00 . 1 . . . . . 135 ASP CB . 50004 1
620 . 1 . 1 135 135 ASP N N 15 119.580 0.00 . 1 . . . . . 135 ASP N . 50004 1
621 . 1 . 1 136 136 MET H H 1 8.108 0.00 . 1 . . . . . 136 MET H . 50004 1
622 . 1 . 1 136 136 MET C C 13 177.086 0.01 . 1 . . . . . 136 MET C . 50004 1
623 . 1 . 1 136 136 MET CA C 13 60.672 0.01 . 1 . . . . . 136 MET CA . 50004 1
624 . 1 . 1 136 136 MET CB C 13 32.802 0.01 . 1 . . . . . 136 MET CB . 50004 1
625 . 1 . 1 136 136 MET N N 15 119.203 0.05 . 1 . . . . . 136 MET N . 50004 1
626 . 1 . 1 137 137 LEU H H 1 8.317 0.00 . 1 . . . . . 137 LEU H . 50004 1
627 . 1 . 1 137 137 LEU C C 13 178.662 0.18 . 1 . . . . . 137 LEU C . 50004 1
628 . 1 . 1 137 137 LEU CA C 13 58.496 0.00 . 1 . . . . . 137 LEU CA . 50004 1
629 . 1 . 1 137 137 LEU CB C 13 42.121 0.02 . 1 . . . . . 137 LEU CB . 50004 1
630 . 1 . 1 137 137 LEU N N 15 118.645 0.01 . 1 . . . . . 137 LEU N . 50004 1
631 . 1 . 1 138 138 GLU H H 1 7.448 0.00 . 1 . . . . . 138 GLU H . 50004 1
632 . 1 . 1 138 138 GLU C C 13 179.541 0.01 . 1 . . . . . 138 GLU C . 50004 1
633 . 1 . 1 138 138 GLU CA C 13 58.606 0.10 . 1 . . . . . 138 GLU CA . 50004 1
634 . 1 . 1 138 138 GLU CB C 13 29.907 0.00 . 1 . . . . . 138 GLU CB . 50004 1
635 . 1 . 1 138 138 GLU N N 15 116.316 0.01 . 1 . . . . . 138 GLU N . 50004 1
636 . 1 . 1 139 139 GLN H H 1 8.121 0.00 . 1 . . . . . 139 GLN H . 50004 1
637 . 1 . 1 139 139 GLN C C 13 178.918 0.01 . 1 . . . . . 139 GLN C . 50004 1
638 . 1 . 1 139 139 GLN CB C 13 28.486 0.01 . 1 . . . . . 139 GLN CB . 50004 1
639 . 1 . 1 139 139 GLN N N 15 117.087 0.01 . 1 . . . . . 139 GLN N . 50004 1
640 . 1 . 1 140 140 LEU H H 1 8.180 0.00 . 1 . . . . . 140 LEU H . 50004 1
641 . 1 . 1 140 140 LEU C C 13 178.328 0.01 . 1 . . . . . 140 LEU C . 50004 1
642 . 1 . 1 140 140 LEU CA C 13 57.997 0.01 . 1 . . . . . 140 LEU CA . 50004 1
643 . 1 . 1 140 140 LEU CB C 13 41.764 0.02 . 1 . . . . . 140 LEU CB . 50004 1
644 . 1 . 1 140 140 LEU N N 15 119.717 0.01 . 1 . . . . . 140 LEU N . 50004 1
645 . 1 . 1 141 141 ASP H H 1 7.313 0.00 . 1 . . . . . 141 ASP H . 50004 1
646 . 1 . 1 141 141 ASP C C 13 176.497 0.00 . 1 . . . . . 141 ASP C . 50004 1
647 . 1 . 1 141 141 ASP CA C 13 55.576 0.01 . 1 . . . . . 141 ASP CA . 50004 1
648 . 1 . 1 141 141 ASP CB C 13 40.967 0.00 . 1 . . . . . 141 ASP CB . 50004 1
649 . 1 . 1 141 141 ASP N N 15 116.513 0.00 . 1 . . . . . 141 ASP N . 50004 1
650 . 1 . 1 142 142 LEU H H 1 7.586 0.00 . 1 . . . . . 142 LEU H . 50004 1
651 . 1 . 1 142 142 LEU C C 13 176.252 0.01 . 1 . . . . . 142 LEU C . 50004 1
652 . 1 . 1 142 142 LEU CA C 13 54.046 0.01 . 1 . . . . . 142 LEU CA . 50004 1
653 . 1 . 1 142 142 LEU CB C 13 41.042 0.02 . 1 . . . . . 142 LEU CB . 50004 1
654 . 1 . 1 142 142 LEU N N 15 120.915 0.00 . 1 . . . . . 142 LEU N . 50004 1
655 . 1 . 1 143 143 SER H H 1 7.968 0.00 . 1 . . . . . 143 SER H . 50004 1
656 . 1 . 1 143 143 SER CA C 13 57.316 0.00 . 1 . . . . . 143 SER CA . 50004 1
657 . 1 . 1 143 143 SER CB C 13 62.123 0.00 . 1 . . . . . 143 SER CB . 50004 1
658 . 1 . 1 143 143 SER N N 15 112.180 0.00 . 1 . . . . . 143 SER N . 50004 1
659 . 1 . 1 144 144 PRO C C 13 177.478 0.00 . 1 . . . . . 144 PRO C . 50004 1
660 . 1 . 1 144 144 PRO CA C 13 62.935 0.00 . 1 . . . . . 144 PRO CA . 50004 1
661 . 1 . 1 144 144 PRO CB C 13 32.255 0.00 . 1 . . . . . 144 PRO CB . 50004 1
662 . 1 . 1 145 145 GLY H H 1 8.589 0.00 . 1 . . . . . 145 GLY H . 50004 1
663 . 1 . 1 145 145 GLY C C 13 172.489 0.01 . 1 . . . . . 145 GLY C . 50004 1
664 . 1 . 1 145 145 GLY CA C 13 43.733 0.01 . 1 . . . . . 145 GLY CA . 50004 1
665 . 1 . 1 145 145 GLY N N 15 107.679 0.01 . 1 . . . . . 145 GLY N . 50004 1
666 . 1 . 1 146 146 CYS H H 1 8.310 0.00 . 1 . . . . . 146 CYS H . 50004 1
667 . 1 . 1 146 146 CYS C C 13 179.975 0.00 . 1 . . . . . 146 CYS C . 50004 1
668 . 1 . 1 146 146 CYS CA C 13 58.771 0.00 . 1 . . . . . 146 CYS CA . 50004 1
669 . 1 . 1 146 146 CYS CB C 13 38.117 0.00 . 1 . . . . . 146 CYS CB . 50004 1
670 . 1 . 1 146 146 CYS N N 15 121.625 0.00 . 1 . . . . . 146 CYS N . 50004 1
stop_
save_