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 50996
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Micelle-bound aSyn WT backbone shifts'
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '3D HNCO' . . . 50996 1
2 '3D HN(CA)CO' . . . 50996 1
3 '3D HNCA' . . . 50996 1
4 '3D HN(CO)CA' . . . 50996 1
5 HNCACB . . . 50996 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50996 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 ASP C C 13 173.595 0.000 . 1 . . . . . 2 ASP C . 50996 1
2 . 1 . 1 2 2 ASP CA C 13 52.406 0.008 . 1 . . . . . 2 ASP CA . 50996 1
3 . 1 . 1 2 2 ASP CB C 13 38.183 0.000 . 1 . . . . . 2 ASP CB . 50996 1
4 . 1 . 1 3 3 VAL H H 1 7.802 0.010 . 1 . . . . . 3 VAL H . 50996 1
5 . 1 . 1 3 3 VAL C C 13 173.551 0.000 . 1 . . . . . 3 VAL C . 50996 1
6 . 1 . 1 3 3 VAL CA C 13 61.659 0.004 . 1 . . . . . 3 VAL CA . 50996 1
7 . 1 . 1 3 3 VAL CB C 13 29.759 0.021 . 1 . . . . . 3 VAL CB . 50996 1
8 . 1 . 1 3 3 VAL N N 15 118.193 0.037 . 1 . . . . . 3 VAL N . 50996 1
9 . 1 . 1 4 4 PHE H H 1 7.736 0.007 . 1 . . . . . 4 PHE H . 50996 1
10 . 1 . 1 4 4 PHE C C 13 174.054 0.002 . 1 . . . . . 4 PHE C . 50996 1
11 . 1 . 1 4 4 PHE CA C 13 56.997 0.009 . 1 . . . . . 4 PHE CA . 50996 1
12 . 1 . 1 4 4 PHE CB C 13 36.272 0.029 . 1 . . . . . 4 PHE CB . 50996 1
13 . 1 . 1 4 4 PHE N N 15 119.380 0.035 . 1 . . . . . 4 PHE N . 50996 1
14 . 1 . 1 5 5 MET H H 1 7.889 0.013 . 1 . . . . . 5 MET H . 50996 1
15 . 1 . 1 5 5 MET C C 13 175.635 0.002 . 1 . . . . . 5 MET C . 50996 1
16 . 1 . 1 5 5 MET CA C 13 54.634 0.002 . 1 . . . . . 5 MET CA . 50996 1
17 . 1 . 1 5 5 MET CB C 13 29.518 0.029 . 1 . . . . . 5 MET CB . 50996 1
18 . 1 . 1 5 5 MET N N 15 118.033 0.048 . 1 . . . . . 5 MET N . 50996 1
19 . 1 . 1 6 6 LYS H H 1 7.981 0.005 . 1 . . . . . 6 LYS H . 50996 1
20 . 1 . 1 6 6 LYS C C 13 176.029 0.000 . 1 . . . . . 6 LYS C . 50996 1
21 . 1 . 1 6 6 LYS CA C 13 55.909 0.007 . 1 . . . . . 6 LYS CA . 50996 1
22 . 1 . 1 6 6 LYS CB C 13 29.858 0.036 . 1 . . . . . 6 LYS CB . 50996 1
23 . 1 . 1 6 6 LYS N N 15 119.838 0.048 . 1 . . . . . 6 LYS N . 50996 1
24 . 1 . 1 7 7 GLY H H 1 8.155 0.012 . 1 . . . . . 7 GLY H . 50996 1
25 . 1 . 1 7 7 GLY C C 13 172.192 0.000 . 1 . . . . . 7 GLY C . 50996 1
26 . 1 . 1 7 7 GLY CA C 13 44.309 0.009 . 1 . . . . . 7 GLY CA . 50996 1
27 . 1 . 1 7 7 GLY N N 15 107.550 0.041 . 1 . . . . . 7 GLY N . 50996 1
28 . 1 . 1 8 8 LEU H H 1 8.110 0.008 . 1 . . . . . 8 LEU H . 50996 1
29 . 1 . 1 8 8 LEU C C 13 175.770 0.006 . 1 . . . . . 8 LEU C . 50996 1
30 . 1 . 1 8 8 LEU CA C 13 54.865 0.014 . 1 . . . . . 8 LEU CA . 50996 1
31 . 1 . 1 8 8 LEU CB C 13 39.261 0.012 . 1 . . . . . 8 LEU CB . 50996 1
32 . 1 . 1 8 8 LEU N N 15 120.978 0.061 . 1 . . . . . 8 LEU N . 50996 1
33 . 1 . 1 9 9 SER H H 1 7.977 0.009 . 1 . . . . . 9 SER H . 50996 1
34 . 1 . 1 9 9 SER C C 13 173.996 0.000 . 1 . . . . . 9 SER C . 50996 1
35 . 1 . 1 9 9 SER CA C 13 58.959 0.009 . 1 . . . . . 9 SER CA . 50996 1
36 . 1 . 1 9 9 SER CB C 13 60.569 0.004 . 1 . . . . . 9 SER CB . 50996 1
37 . 1 . 1 9 9 SER N N 15 113.355 0.044 . 1 . . . . . 9 SER N . 50996 1
38 . 1 . 1 10 10 LYS H H 1 7.714 0.010 . 1 . . . . . 10 LYS H . 50996 1
39 . 1 . 1 10 10 LYS C C 13 175.738 0.003 . 1 . . . . . 10 LYS C . 50996 1
40 . 1 . 1 10 10 LYS CA C 13 55.433 0.015 . 1 . . . . . 10 LYS CA . 50996 1
41 . 1 . 1 10 10 LYS CB C 13 29.725 0.011 . 1 . . . . . 10 LYS CB . 50996 1
42 . 1 . 1 10 10 LYS N N 15 121.205 0.043 . 1 . . . . . 10 LYS N . 50996 1
43 . 1 . 1 11 11 ALA H H 1 8.036 0.009 . 1 . . . . . 11 ALA H . 50996 1
44 . 1 . 1 11 11 ALA C C 13 175.957 0.000 . 1 . . . . . 11 ALA C . 50996 1
45 . 1 . 1 11 11 ALA CA C 13 52.001 0.052 . 1 . . . . . 11 ALA CA . 50996 1
46 . 1 . 1 11 11 ALA CB C 13 16.040 0.019 . 1 . . . . . 11 ALA CB . 50996 1
47 . 1 . 1 11 11 ALA N N 15 121.740 0.066 . 1 . . . . . 11 ALA N . 50996 1
48 . 1 . 1 12 12 LYS H H 1 8.095 0.008 . 1 . . . . . 12 LYS H . 50996 1
49 . 1 . 1 12 12 LYS C C 13 175.148 0.002 . 1 . . . . . 12 LYS C . 50996 1
50 . 1 . 1 12 12 LYS CA C 13 57.318 0.010 . 1 . . . . . 12 LYS CA . 50996 1
51 . 1 . 1 12 12 LYS CB C 13 29.869 0.032 . 1 . . . . . 12 LYS CB . 50996 1
52 . 1 . 1 12 12 LYS N N 15 117.102 0.052 . 1 . . . . . 12 LYS N . 50996 1
53 . 1 . 1 13 13 GLU H H 1 7.896 0.009 . 1 . . . . . 13 GLU H . 50996 1
54 . 1 . 1 13 13 GLU C C 13 176.642 0.006 . 1 . . . . . 13 GLU C . 50996 1
55 . 1 . 1 13 13 GLU CA C 13 56.297 0.015 . 1 . . . . . 13 GLU CA . 50996 1
56 . 1 . 1 13 13 GLU CB C 13 26.393 0.007 . 1 . . . . . 13 GLU CB . 50996 1
57 . 1 . 1 13 13 GLU N N 15 116.746 0.097 . 1 . . . . . 13 GLU N . 50996 1
58 . 1 . 1 14 14 GLY H H 1 8.192 0.007 . 1 . . . . . 14 GLY H . 50996 1
59 . 1 . 1 14 14 GLY C C 13 172.827 0.000 . 1 . . . . . 14 GLY C . 50996 1
60 . 1 . 1 14 14 GLY CA C 13 44.386 0.009 . 1 . . . . . 14 GLY CA . 50996 1
61 . 1 . 1 14 14 GLY N N 15 107.471 0.033 . 1 . . . . . 14 GLY N . 50996 1
62 . 1 . 1 15 15 VAL H H 1 8.122 0.004 . 1 . . . . . 15 VAL H . 50996 1
63 . 1 . 1 15 15 VAL C C 13 174.639 0.001 . 1 . . . . . 15 VAL C . 50996 1
64 . 1 . 1 15 15 VAL CA C 13 63.900 0.005 . 1 . . . . . 15 VAL CA . 50996 1
65 . 1 . 1 15 15 VAL CB C 13 29.039 0.000 . 1 . . . . . 15 VAL CB . 50996 1
66 . 1 . 1 15 15 VAL N N 15 121.226 0.051 . 1 . . . . . 15 VAL N . 50996 1
67 . 1 . 1 16 16 VAL H H 1 7.903 0.006 . 1 . . . . . 16 VAL H . 50996 1
68 . 1 . 1 16 16 VAL C C 13 175.522 0.004 . 1 . . . . . 16 VAL C . 50996 1
69 . 1 . 1 16 16 VAL CA C 13 64.265 0.022 . 1 . . . . . 16 VAL CA . 50996 1
70 . 1 . 1 16 16 VAL CB C 13 28.949 0.033 . 1 . . . . . 16 VAL CB . 50996 1
71 . 1 . 1 16 16 VAL N N 15 119.487 0.070 . 1 . . . . . 16 VAL N . 50996 1
72 . 1 . 1 17 17 ALA H H 1 7.855 0.006 . 1 . . . . . 17 ALA H . 50996 1
73 . 1 . 1 17 17 ALA C C 13 177.927 0.001 . 1 . . . . . 17 ALA C . 50996 1
74 . 1 . 1 17 17 ALA CA C 13 52.280 0.009 . 1 . . . . . 17 ALA CA . 50996 1
75 . 1 . 1 17 17 ALA CB C 13 15.791 0.000 . 1 . . . . . 17 ALA CB . 50996 1
76 . 1 . 1 17 17 ALA N N 15 121.396 0.069 . 1 . . . . . 17 ALA N . 50996 1
77 . 1 . 1 18 18 ALA H H 1 8.065 0.008 . 1 . . . . . 18 ALA H . 50996 1
78 . 1 . 1 18 18 ALA C C 13 177.452 0.001 . 1 . . . . . 18 ALA C . 50996 1
79 . 1 . 1 18 18 ALA CA C 13 52.169 0.009 . 1 . . . . . 18 ALA CA . 50996 1
80 . 1 . 1 18 18 ALA CB C 13 15.972 0.000 . 1 . . . . . 18 ALA CB . 50996 1
81 . 1 . 1 18 18 ALA N N 15 120.511 0.060 . 1 . . . . . 18 ALA N . 50996 1
82 . 1 . 1 19 19 ALA H H 1 8.495 0.008 . 1 . . . . . 19 ALA H . 50996 1
83 . 1 . 1 19 19 ALA C C 13 176.762 0.001 . 1 . . . . . 19 ALA C . 50996 1
84 . 1 . 1 19 19 ALA CA C 13 52.732 0.092 . 1 . . . . . 19 ALA CA . 50996 1
85 . 1 . 1 19 19 ALA CB C 13 16.005 0.009 . 1 . . . . . 19 ALA CB . 50996 1
86 . 1 . 1 19 19 ALA N N 15 122.280 0.042 . 1 . . . . . 19 ALA N . 50996 1
87 . 1 . 1 20 20 GLU H H 1 8.196 0.008 . 1 . . . . . 20 GLU H . 50996 1
88 . 1 . 1 20 20 GLU C C 13 176.133 0.001 . 1 . . . . . 20 GLU C . 50996 1
89 . 1 . 1 20 20 GLU CA C 13 56.318 0.029 . 1 . . . . . 20 GLU CA . 50996 1
90 . 1 . 1 20 20 GLU CB C 13 26.142 0.000 . 1 . . . . . 20 GLU CB . 50996 1
91 . 1 . 1 20 20 GLU N N 15 117.092 0.152 . 1 . . . . . 20 GLU N . 50996 1
92 . 1 . 1 21 21 LYS H H 1 7.908 0.008 . 1 . . . . . 21 LYS H . 50996 1
93 . 1 . 1 21 21 LYS C C 13 176.121 0.003 . 1 . . . . . 21 LYS C . 50996 1
94 . 1 . 1 21 21 LYS CA C 13 55.972 0.039 . 1 . . . . . 21 LYS CA . 50996 1
95 . 1 . 1 21 21 LYS CB C 13 30.063 0.001 . 1 . . . . . 21 LYS CB . 50996 1
96 . 1 . 1 21 21 LYS N N 15 118.720 0.039 . 1 . . . . . 21 LYS N . 50996 1
97 . 1 . 1 22 22 THR H H 1 7.942 0.008 . 1 . . . . . 22 THR H . 50996 1
98 . 1 . 1 22 22 THR C C 13 173.337 0.006 . 1 . . . . . 22 THR C . 50996 1
99 . 1 . 1 22 22 THR CA C 13 63.054 0.007 . 1 . . . . . 22 THR CA . 50996 1
100 . 1 . 1 22 22 THR CB C 13 66.472 0.038 . 1 . . . . . 22 THR CB . 50996 1
101 . 1 . 1 22 22 THR N N 15 114.432 0.032 . 1 . . . . . 22 THR N . 50996 1
102 . 1 . 1 23 23 LYS H H 1 8.090 0.005 . 1 . . . . . 23 LYS H . 50996 1
103 . 1 . 1 23 23 LYS C C 13 175.372 0.000 . 1 . . . . . 23 LYS C . 50996 1
104 . 1 . 1 23 23 LYS CA C 13 56.865 0.002 . 1 . . . . . 23 LYS CA . 50996 1
105 . 1 . 1 23 23 LYS CB C 13 29.844 0.022 . 1 . . . . . 23 LYS CB . 50996 1
106 . 1 . 1 23 23 LYS N N 15 121.029 0.038 . 1 . . . . . 23 LYS N . 50996 1
107 . 1 . 1 24 24 GLN H H 1 7.885 0.009 . 1 . . . . . 24 GLN H . 50996 1
108 . 1 . 1 24 24 GLN C C 13 175.316 0.003 . 1 . . . . . 24 GLN C . 50996 1
109 . 1 . 1 24 24 GLN CA C 13 55.319 0.002 . 1 . . . . . 24 GLN CA . 50996 1
110 . 1 . 1 24 24 GLN CB C 13 26.121 0.029 . 1 . . . . . 24 GLN CB . 50996 1
111 . 1 . 1 24 24 GLN N N 15 117.242 0.063 . 1 . . . . . 24 GLN N . 50996 1
112 . 1 . 1 25 25 GLY H H 1 8.119 0.008 . 1 . . . . . 25 GLY H . 50996 1
113 . 1 . 1 25 25 GLY C C 13 173.067 0.004 . 1 . . . . . 25 GLY C . 50996 1
114 . 1 . 1 25 25 GLY CA C 13 44.121 0.037 . 1 . . . . . 25 GLY CA . 50996 1
115 . 1 . 1 25 25 GLY N N 15 107.912 0.044 . 1 . . . . . 25 GLY N . 50996 1
116 . 1 . 1 26 26 VAL H H 1 8.102 0.006 . 1 . . . . . 26 VAL H . 50996 1
117 . 1 . 1 26 26 VAL C C 13 174.411 0.000 . 1 . . . . . 26 VAL C . 50996 1
118 . 1 . 1 26 26 VAL CA C 13 62.723 0.002 . 1 . . . . . 26 VAL CA . 50996 1
119 . 1 . 1 26 26 VAL CB C 13 29.257 0.046 . 1 . . . . . 26 VAL CB . 50996 1
120 . 1 . 1 26 26 VAL N N 15 120.231 0.028 . 1 . . . . . 26 VAL N . 50996 1
121 . 1 . 1 27 27 ALA H H 1 7.976 0.009 . 1 . . . . . 27 ALA H . 50996 1
122 . 1 . 1 27 27 ALA C C 13 177.407 0.003 . 1 . . . . . 27 ALA C . 50996 1
123 . 1 . 1 27 27 ALA CA C 13 52.158 0.007 . 1 . . . . . 27 ALA CA . 50996 1
124 . 1 . 1 27 27 ALA CB C 13 16.000 0.012 . 1 . . . . . 27 ALA CB . 50996 1
125 . 1 . 1 27 27 ALA N N 15 122.421 0.083 . 1 . . . . . 27 ALA N . 50996 1
126 . 1 . 1 28 28 GLU H H 1 7.968 0.012 . 1 . . . . . 28 GLU H . 50996 1
127 . 1 . 1 28 28 GLU C C 13 175.260 0.000 . 1 . . . . . 28 GLU C . 50996 1
128 . 1 . 1 28 28 GLU CA C 13 55.238 0.006 . 1 . . . . . 28 GLU CA . 50996 1
129 . 1 . 1 28 28 GLU CB C 13 26.498 0.050 . 1 . . . . . 28 GLU CB . 50996 1
130 . 1 . 1 28 28 GLU N N 15 117.219 0.089 . 1 . . . . . 28 GLU N . 50996 1
131 . 1 . 1 29 29 ALA H H 1 7.918 0.007 . 1 . . . . . 29 ALA H . 50996 1
132 . 1 . 1 29 29 ALA C C 13 176.177 0.001 . 1 . . . . . 29 ALA C . 50996 1
133 . 1 . 1 29 29 ALA CA C 13 51.331 0.013 . 1 . . . . . 29 ALA CA . 50996 1
134 . 1 . 1 29 29 ALA CB C 13 16.361 0.020 . 1 . . . . . 29 ALA CB . 50996 1
135 . 1 . 1 29 29 ALA N N 15 122.422 0.058 . 1 . . . . . 29 ALA N . 50996 1
136 . 1 . 1 30 30 ALA H H 1 8.211 0.007 . 1 . . . . . 30 ALA H . 50996 1
137 . 1 . 1 30 30 ALA C C 13 176.449 0.001 . 1 . . . . . 30 ALA C . 50996 1
138 . 1 . 1 30 30 ALA CA C 13 51.550 0.006 . 1 . . . . . 30 ALA CA . 50996 1
139 . 1 . 1 30 30 ALA CB C 13 16.188 0.032 . 1 . . . . . 30 ALA CB . 50996 1
140 . 1 . 1 30 30 ALA N N 15 120.799 0.045 . 1 . . . . . 30 ALA N . 50996 1
141 . 1 . 1 31 31 GLY H H 1 8.076 0.007 . 1 . . . . . 31 GLY H . 50996 1
142 . 1 . 1 31 31 GLY C C 13 172.842 0.003 . 1 . . . . . 31 GLY C . 50996 1
143 . 1 . 1 31 31 GLY CA C 13 43.852 0.001 . 1 . . . . . 31 GLY CA . 50996 1
144 . 1 . 1 31 31 GLY N N 15 106.097 0.044 . 1 . . . . . 31 GLY N . 50996 1
145 . 1 . 1 32 32 LYS H H 1 7.842 0.004 . 1 . . . . . 32 LYS H . 50996 1
146 . 1 . 1 32 32 LYS C C 13 175.011 0.002 . 1 . . . . . 32 LYS C . 50996 1
147 . 1 . 1 32 32 LYS CA C 13 54.690 0.043 . 1 . . . . . 32 LYS CA . 50996 1
148 . 1 . 1 32 32 LYS CB C 13 30.369 0.020 . 1 . . . . . 32 LYS CB . 50996 1
149 . 1 . 1 32 32 LYS N N 15 119.894 0.021 . 1 . . . . . 32 LYS N . 50996 1
150 . 1 . 1 33 33 THR H H 1 7.880 0.010 . 1 . . . . . 33 THR H . 50996 1
151 . 1 . 1 33 33 THR C C 13 172.956 0.005 . 1 . . . . . 33 THR C . 50996 1
152 . 1 . 1 33 33 THR CA C 13 61.384 0.004 . 1 . . . . . 33 THR CA . 50996 1
153 . 1 . 1 33 33 THR CB C 13 66.928 0.046 . 1 . . . . . 33 THR CB . 50996 1
154 . 1 . 1 33 33 THR N N 15 113.367 0.066 . 1 . . . . . 33 THR N . 50996 1
155 . 1 . 1 34 34 LYS H H 1 8.026 0.010 . 1 . . . . . 34 LYS H . 50996 1
156 . 1 . 1 34 34 LYS C C 13 174.649 0.001 . 1 . . . . . 34 LYS C . 50996 1
157 . 1 . 1 34 34 LYS CA C 13 55.688 0.001 . 1 . . . . . 34 LYS CA . 50996 1
158 . 1 . 1 34 34 LYS CB C 13 29.904 0.023 . 1 . . . . . 34 LYS CB . 50996 1
159 . 1 . 1 34 34 LYS N N 15 121.205 0.093 . 1 . . . . . 34 LYS N . 50996 1
160 . 1 . 1 35 35 GLU H H 1 7.991 0.019 . 1 . . . . . 35 GLU H . 50996 1
161 . 1 . 1 35 35 GLU C C 13 175.252 0.001 . 1 . . . . . 35 GLU C . 50996 1
162 . 1 . 1 35 35 GLU CA C 13 55.211 0.006 . 1 . . . . . 35 GLU CA . 50996 1
163 . 1 . 1 35 35 GLU CB C 13 26.741 0.034 . 1 . . . . . 35 GLU CB . 50996 1
164 . 1 . 1 35 35 GLU N N 15 118.037 0.123 . 1 . . . . . 35 GLU N . 50996 1
165 . 1 . 1 36 36 GLY H H 1 8.123 0.006 . 1 . . . . . 36 GLY H . 50996 1
166 . 1 . 1 36 36 GLY C C 13 172.094 0.004 . 1 . . . . . 36 GLY C . 50996 1
167 . 1 . 1 36 36 GLY CA C 13 43.952 0.006 . 1 . . . . . 36 GLY CA . 50996 1
168 . 1 . 1 36 36 GLY N N 15 108.208 0.072 . 1 . . . . . 36 GLY N . 50996 1
169 . 1 . 1 37 37 VAL H H 1 7.843 0.008 . 1 . . . . . 37 VAL H . 50996 1
170 . 1 . 1 37 37 VAL C C 13 174.016 0.009 . 1 . . . . . 37 VAL C . 50996 1
171 . 1 . 1 37 37 VAL CA C 13 61.716 0.010 . 1 . . . . . 37 VAL CA . 50996 1
172 . 1 . 1 37 37 VAL CB C 13 29.760 0.069 . 1 . . . . . 37 VAL CB . 50996 1
173 . 1 . 1 37 37 VAL N N 15 118.955 0.035 . 1 . . . . . 37 VAL N . 50996 1
174 . 1 . 1 38 38 LEU H H 1 7.888 0.012 . 1 . . . . . 38 LEU H . 50996 1
175 . 1 . 1 38 38 LEU C C 13 175.158 0.006 . 1 . . . . . 38 LEU C . 50996 1
176 . 1 . 1 38 38 LEU CA C 13 53.824 0.003 . 1 . . . . . 38 LEU CA . 50996 1
177 . 1 . 1 38 38 LEU CB C 13 39.502 0.061 . 1 . . . . . 38 LEU CB . 50996 1
178 . 1 . 1 38 38 LEU N N 15 120.971 0.081 . 1 . . . . . 38 LEU N . 50996 1
179 . 1 . 1 39 39 TYR H H 1 7.878 0.009 . 1 . . . . . 39 TYR H . 50996 1
180 . 1 . 1 39 39 TYR C C 13 174.252 0.006 . 1 . . . . . 39 TYR C . 50996 1
181 . 1 . 1 39 39 TYR CA C 13 56.765 0.005 . 1 . . . . . 39 TYR CA . 50996 1
182 . 1 . 1 39 39 TYR CB C 13 36.358 0.034 . 1 . . . . . 39 TYR CB . 50996 1
183 . 1 . 1 39 39 TYR N N 15 119.811 0.059 . 1 . . . . . 39 TYR N . 50996 1
184 . 1 . 1 40 40 VAL H H 1 7.919 0.010 . 1 . . . . . 40 VAL H . 50996 1
185 . 1 . 1 40 40 VAL C C 13 174.783 0.005 . 1 . . . . . 40 VAL C . 50996 1
186 . 1 . 1 40 40 VAL CA C 13 61.445 0.003 . 1 . . . . . 40 VAL CA . 50996 1
187 . 1 . 1 40 40 VAL CB C 13 29.366 0.000 . 1 . . . . . 40 VAL CB . 50996 1
188 . 1 . 1 40 40 VAL N N 15 119.498 0.034 . 1 . . . . . 40 VAL N . 50996 1
189 . 1 . 1 41 41 GLY H H 1 8.017 0.019 . 1 . . . . . 41 GLY H . 50996 1
190 . 1 . 1 41 41 GLY C C 13 172.099 0.001 . 1 . . . . . 41 GLY C . 50996 1
191 . 1 . 1 41 41 GLY CA C 13 43.935 0.002 . 1 . . . . . 41 GLY CA . 50996 1
192 . 1 . 1 41 41 GLY N N 15 109.154 0.104 . 1 . . . . . 41 GLY N . 50996 1
193 . 1 . 1 42 42 SER H H 1 8.027 0.013 . 1 . . . . . 42 SER H . 50996 1
194 . 1 . 1 42 42 SER C C 13 172.849 0.000 . 1 . . . . . 42 SER C . 50996 1
195 . 1 . 1 42 42 SER CA C 13 57.286 0.004 . 1 . . . . . 42 SER CA . 50996 1
196 . 1 . 1 42 42 SER CB C 13 61.167 0.016 . 1 . . . . . 42 SER CB . 50996 1
197 . 1 . 1 42 42 SER N N 15 115.357 0.082 . 1 . . . . . 42 SER N . 50996 1
198 . 1 . 1 43 43 LYS H H 1 7.864 0.014 . 1 . . . . . 43 LYS H . 50996 1
199 . 1 . 1 43 43 LYS C C 13 174.472 0.005 . 1 . . . . . 43 LYS C . 50996 1
200 . 1 . 1 43 43 LYS CA C 13 54.026 0.008 . 1 . . . . . 43 LYS CA . 50996 1
201 . 1 . 1 43 43 LYS CB C 13 30.155 0.040 . 1 . . . . . 43 LYS CB . 50996 1
202 . 1 . 1 43 43 LYS N N 15 121.346 0.027 . 1 . . . . . 43 LYS N . 50996 1
203 . 1 . 1 44 44 THR H H 1 7.811 0.011 . 1 . . . . . 44 THR H . 50996 1
204 . 1 . 1 44 44 THR C C 13 172.682 0.002 . 1 . . . . . 44 THR C . 50996 1
205 . 1 . 1 44 44 THR CA C 13 59.697 0.008 . 1 . . . . . 44 THR CA . 50996 1
206 . 1 . 1 44 44 THR CB C 13 68.079 0.028 . 1 . . . . . 44 THR CB . 50996 1
207 . 1 . 1 44 44 THR N N 15 111.577 0.140 . 1 . . . . . 44 THR N . 50996 1
208 . 1 . 1 45 45 LYS H H 1 8.189 0.005 . 1 . . . . . 45 LYS H . 50996 1
209 . 1 . 1 45 45 LYS C C 13 174.793 0.001 . 1 . . . . . 45 LYS C . 50996 1
210 . 1 . 1 45 45 LYS CA C 13 56.973 0.015 . 1 . . . . . 45 LYS CA . 50996 1
211 . 1 . 1 45 45 LYS CB C 13 29.958 0.031 . 1 . . . . . 45 LYS CB . 50996 1
212 . 1 . 1 45 45 LYS N N 15 121.460 0.037 . 1 . . . . . 45 LYS N . 50996 1
213 . 1 . 1 46 46 GLU H H 1 8.248 0.008 . 1 . . . . . 46 GLU H . 50996 1
214 . 1 . 1 46 46 GLU C C 13 175.836 0.002 . 1 . . . . . 46 GLU C . 50996 1
215 . 1 . 1 46 46 GLU CA C 13 56.146 0.000 . 1 . . . . . 46 GLU CA . 50996 1
216 . 1 . 1 46 46 GLU CB C 13 26.648 0.009 . 1 . . . . . 46 GLU CB . 50996 1
217 . 1 . 1 46 46 GLU N N 15 117.281 0.094 . 1 . . . . . 46 GLU N . 50996 1
218 . 1 . 1 47 47 GLY H H 1 8.088 0.007 . 1 . . . . . 47 GLY H . 50996 1
219 . 1 . 1 47 47 GLY C C 13 173.830 0.004 . 1 . . . . . 47 GLY C . 50996 1
220 . 1 . 1 47 47 GLY CA C 13 44.183 0.009 . 1 . . . . . 47 GLY CA . 50996 1
221 . 1 . 1 47 47 GLY N N 15 108.173 0.041 . 1 . . . . . 47 GLY N . 50996 1
222 . 1 . 1 48 48 VAL H H 1 8.059 0.008 . 1 . . . . . 48 VAL H . 50996 1
223 . 1 . 1 48 48 VAL C C 13 174.743 0.005 . 1 . . . . . 48 VAL C . 50996 1
224 . 1 . 1 48 48 VAL CA C 13 63.649 0.005 . 1 . . . . . 48 VAL CA . 50996 1
225 . 1 . 1 48 48 VAL CB C 13 29.489 0.000 . 1 . . . . . 48 VAL CB . 50996 1
226 . 1 . 1 48 48 VAL N N 15 121.528 0.024 . 1 . . . . . 48 VAL N . 50996 1
227 . 1 . 1 49 49 VAL H H 1 8.104 0.009 . 1 . . . . . 49 VAL H . 50996 1
228 . 1 . 1 49 49 VAL C C 13 174.986 0.001 . 1 . . . . . 49 VAL C . 50996 1
229 . 1 . 1 49 49 VAL CA C 13 64.136 0.004 . 1 . . . . . 49 VAL CA . 50996 1
230 . 1 . 1 49 49 VAL CB C 13 29.261 0.000 . 1 . . . . . 49 VAL CB . 50996 1
231 . 1 . 1 49 49 VAL N N 15 118.883 0.049 . 1 . . . . . 49 VAL N . 50996 1
232 . 1 . 1 50 50 HIS H H 1 8.110 0.007 . 1 . . . . . 50 HIS H . 50996 1
233 . 1 . 1 50 50 HIS C C 13 174.863 0.003 . 1 . . . . . 50 HIS C . 50996 1
234 . 1 . 1 50 50 HIS CA C 13 55.692 0.026 . 1 . . . . . 50 HIS CA . 50996 1
235 . 1 . 1 50 50 HIS CB C 13 25.670 0.029 . 1 . . . . . 50 HIS CB . 50996 1
236 . 1 . 1 50 50 HIS N N 15 116.689 0.079 . 1 . . . . . 50 HIS N . 50996 1
237 . 1 . 1 51 51 GLY H H 1 8.360 0.007 . 1 . . . . . 51 GLY H . 50996 1
238 . 1 . 1 51 51 GLY C C 13 172.681 0.003 . 1 . . . . . 51 GLY C . 50996 1
239 . 1 . 1 51 51 GLY CA C 13 44.852 0.001 . 1 . . . . . 51 GLY CA . 50996 1
240 . 1 . 1 51 51 GLY N N 15 109.414 0.028 . 1 . . . . . 51 GLY N . 50996 1
241 . 1 . 1 52 52 VAL H H 1 8.389 0.006 . 1 . . . . . 52 VAL H . 50996 1
242 . 1 . 1 52 52 VAL C C 13 174.606 0.000 . 1 . . . . . 52 VAL C . 50996 1
243 . 1 . 1 52 52 VAL CA C 13 63.893 0.000 . 1 . . . . . 52 VAL CA . 50996 1
244 . 1 . 1 52 52 VAL CB C 13 28.938 0.030 . 1 . . . . . 52 VAL CB . 50996 1
245 . 1 . 1 52 52 VAL N N 15 121.001 0.033 . 1 . . . . . 52 VAL N . 50996 1
246 . 1 . 1 53 53 ALA H H 1 8.140 0.002 . 1 . . . . . 53 ALA H . 50996 1
247 . 1 . 1 53 53 ALA C C 13 177.563 0.001 . 1 . . . . . 53 ALA C . 50996 1
248 . 1 . 1 53 53 ALA CA C 13 52.904 0.033 . 1 . . . . . 53 ALA CA . 50996 1
249 . 1 . 1 53 53 ALA CB C 13 15.773 0.007 . 1 . . . . . 53 ALA CB . 50996 1
250 . 1 . 1 53 53 ALA N N 15 121.394 0.042 . 1 . . . . . 53 ALA N . 50996 1
251 . 1 . 1 54 54 THR H H 1 7.859 0.008 . 1 . . . . . 54 THR H . 50996 1
252 . 1 . 1 54 54 THR C C 13 174.041 0.000 . 1 . . . . . 54 THR C . 50996 1
253 . 1 . 1 54 54 THR CA C 13 63.766 0.002 . 1 . . . . . 54 THR CA . 50996 1
254 . 1 . 1 54 54 THR CB C 13 66.333 0.011 . 1 . . . . . 54 THR CB . 50996 1
255 . 1 . 1 54 54 THR N N 15 113.825 0.056 . 1 . . . . . 54 THR N . 50996 1
256 . 1 . 1 55 55 VAL H H 1 7.885 0.015 . 1 . . . . . 55 VAL H . 50996 1
257 . 1 . 1 55 55 VAL C C 13 176.073 0.002 . 1 . . . . . 55 VAL C . 50996 1
258 . 1 . 1 55 55 VAL CA C 13 63.771 0.006 . 1 . . . . . 55 VAL CA . 50996 1
259 . 1 . 1 55 55 VAL CB C 13 29.147 0.024 . 1 . . . . . 55 VAL CB . 50996 1
260 . 1 . 1 55 55 VAL N N 15 121.311 0.015 . 1 . . . . . 55 VAL N . 50996 1
261 . 1 . 1 56 56 ALA H H 1 8.687 0.008 . 1 . . . . . 56 ALA H . 50996 1
262 . 1 . 1 56 56 ALA C C 13 176.294 0.001 . 1 . . . . . 56 ALA C . 50996 1
263 . 1 . 1 56 56 ALA CA C 13 53.065 0.018 . 1 . . . . . 56 ALA CA . 50996 1
264 . 1 . 1 56 56 ALA CB C 13 15.955 0.049 . 1 . . . . . 56 ALA CB . 50996 1
265 . 1 . 1 56 56 ALA N N 15 124.561 0.046 . 1 . . . . . 56 ALA N . 50996 1
266 . 1 . 1 57 57 GLU H H 1 8.021 0.008 . 1 . . . . . 57 GLU H . 50996 1
267 . 1 . 1 57 57 GLU C C 13 176.185 0.008 . 1 . . . . . 57 GLU C . 50996 1
268 . 1 . 1 57 57 GLU CA C 13 56.617 0.012 . 1 . . . . . 57 GLU CA . 50996 1
269 . 1 . 1 57 57 GLU CB C 13 26.065 0.034 . 1 . . . . . 57 GLU CB . 50996 1
270 . 1 . 1 57 57 GLU N N 15 117.107 0.088 . 1 . . . . . 57 GLU N . 50996 1
271 . 1 . 1 58 58 LYS H H 1 7.958 0.007 . 1 . . . . . 58 LYS H . 50996 1
272 . 1 . 1 58 58 LYS C C 13 176.348 0.000 . 1 . . . . . 58 LYS C . 50996 1
273 . 1 . 1 58 58 LYS CA C 13 56.151 0.004 . 1 . . . . . 58 LYS CA . 50996 1
274 . 1 . 1 58 58 LYS CB C 13 29.877 0.009 . 1 . . . . . 58 LYS CB . 50996 1
275 . 1 . 1 58 58 LYS N N 15 118.352 0.052 . 1 . . . . . 58 LYS N . 50996 1
276 . 1 . 1 59 59 THR H H 1 8.088 0.008 . 1 . . . . . 59 THR H . 50996 1
277 . 1 . 1 59 59 THR C C 13 173.612 0.000 . 1 . . . . . 59 THR C . 50996 1
278 . 1 . 1 59 59 THR CA C 13 63.980 0.004 . 1 . . . . . 59 THR CA . 50996 1
279 . 1 . 1 59 59 THR CB C 13 66.194 0.069 . 1 . . . . . 59 THR CB . 50996 1
280 . 1 . 1 59 59 THR N N 15 114.728 0.078 . 1 . . . . . 59 THR N . 50996 1
281 . 1 . 1 60 60 LYS H H 1 8.054 0.007 . 1 . . . . . 60 LYS H . 50996 1
282 . 1 . 1 60 60 LYS C C 13 175.808 0.008 . 1 . . . . . 60 LYS C . 50996 1
283 . 1 . 1 60 60 LYS CA C 13 57.181 0.014 . 1 . . . . . 60 LYS CA . 50996 1
284 . 1 . 1 60 60 LYS CB C 13 29.821 0.078 . 1 . . . . . 60 LYS CB . 50996 1
285 . 1 . 1 60 60 LYS N N 15 121.017 0.049 . 1 . . . . . 60 LYS N . 50996 1
286 . 1 . 1 61 61 GLU H H 1 7.849 0.007 . 1 . . . . . 61 GLU H . 50996 1
287 . 1 . 1 61 61 GLU C C 13 175.265 0.000 . 1 . . . . . 61 GLU C . 50996 1
288 . 1 . 1 61 61 GLU CA C 13 55.909 0.010 . 1 . . . . . 61 GLU CA . 50996 1
289 . 1 . 1 61 61 GLU CB C 13 26.590 0.000 . 1 . . . . . 61 GLU CB . 50996 1
290 . 1 . 1 61 61 GLU N N 15 117.063 0.027 . 1 . . . . . 61 GLU N . 50996 1
291 . 1 . 1 62 62 GLN H H 1 7.852 0.013 . 1 . . . . . 62 GLN H . 50996 1
292 . 1 . 1 62 62 GLN C C 13 175.113 0.015 . 1 . . . . . 62 GLN C . 50996 1
293 . 1 . 1 62 62 GLN CA C 13 54.875 0.013 . 1 . . . . . 62 GLN CA . 50996 1
294 . 1 . 1 62 62 GLN CB C 13 26.774 0.047 . 1 . . . . . 62 GLN CB . 50996 1
295 . 1 . 1 62 62 GLN N N 15 117.133 0.129 . 1 . . . . . 62 GLN N . 50996 1
296 . 1 . 1 63 63 VAL H H 1 8.043 0.010 . 1 . . . . . 63 VAL H . 50996 1
297 . 1 . 1 63 63 VAL C C 13 174.247 0.000 . 1 . . . . . 63 VAL C . 50996 1
298 . 1 . 1 63 63 VAL CA C 13 62.016 0.006 . 1 . . . . . 63 VAL CA . 50996 1
299 . 1 . 1 63 63 VAL CB C 13 29.404 0.011 . 1 . . . . . 63 VAL CB . 50996 1
300 . 1 . 1 63 63 VAL N N 15 117.672 0.046 . 1 . . . . . 63 VAL N . 50996 1
301 . 1 . 1 64 64 THR H H 1 7.841 0.009 . 1 . . . . . 64 THR H . 50996 1
302 . 1 . 1 64 64 THR C C 13 172.919 0.009 . 1 . . . . . 64 THR C . 50996 1
303 . 1 . 1 64 64 THR CA C 13 61.402 0.002 . 1 . . . . . 64 THR CA . 50996 1
304 . 1 . 1 64 64 THR CB C 13 66.863 0.056 . 1 . . . . . 64 THR CB . 50996 1
305 . 1 . 1 64 64 THR N N 15 113.131 0.057 . 1 . . . . . 64 THR N . 50996 1
306 . 1 . 1 65 65 ASN H H 1 7.959 0.009 . 1 . . . . . 65 ASN H . 50996 1
307 . 1 . 1 65 65 ASN C C 13 173.532 0.003 . 1 . . . . . 65 ASN C . 50996 1
308 . 1 . 1 65 65 ASN CA C 13 51.794 0.001 . 1 . . . . . 65 ASN CA . 50996 1
309 . 1 . 1 65 65 ASN CB C 13 36.506 0.018 . 1 . . . . . 65 ASN CB . 50996 1
310 . 1 . 1 65 65 ASN N N 15 119.557 0.046 . 1 . . . . . 65 ASN N . 50996 1
311 . 1 . 1 66 66 VAL H H 1 7.878 0.011 . 1 . . . . . 66 VAL H . 50996 1
312 . 1 . 1 66 66 VAL C C 13 174.287 0.014 . 1 . . . . . 66 VAL C . 50996 1
313 . 1 . 1 66 66 VAL CA C 13 61.068 0.001 . 1 . . . . . 66 VAL CA . 50996 1
314 . 1 . 1 66 66 VAL CB C 13 29.732 0.013 . 1 . . . . . 66 VAL CB . 50996 1
315 . 1 . 1 66 66 VAL N N 15 117.891 0.051 . 1 . . . . . 66 VAL N . 50996 1
316 . 1 . 1 67 67 GLY H H 1 8.202 0.012 . 1 . . . . . 67 GLY H . 50996 1
317 . 1 . 1 67 67 GLY C C 13 172.562 0.002 . 1 . . . . . 67 GLY C . 50996 1
318 . 1 . 1 67 67 GLY CA C 13 44.262 0.002 . 1 . . . . . 67 GLY CA . 50996 1
319 . 1 . 1 67 67 GLY N N 15 108.967 0.031 . 1 . . . . . 67 GLY N . 50996 1
320 . 1 . 1 68 68 GLY H H 1 8.106 0.005 . 1 . . . . . 68 GLY H . 50996 1
321 . 1 . 1 68 68 GLY C C 13 172.950 0.001 . 1 . . . . . 68 GLY C . 50996 1
322 . 1 . 1 68 68 GLY CA C 13 44.045 0.000 . 1 . . . . . 68 GLY CA . 50996 1
323 . 1 . 1 68 68 GLY N N 15 107.906 0.046 . 1 . . . . . 68 GLY N . 50996 1
324 . 1 . 1 69 69 ALA H H 1 7.998 0.006 . 1 . . . . . 69 ALA H . 50996 1
325 . 1 . 1 69 69 ALA C C 13 177.045 0.001 . 1 . . . . . 69 ALA C . 50996 1
326 . 1 . 1 69 69 ALA CA C 13 51.809 0.003 . 1 . . . . . 69 ALA CA . 50996 1
327 . 1 . 1 69 69 ALA CB C 13 16.371 0.084 . 1 . . . . . 69 ALA CB . 50996 1
328 . 1 . 1 69 69 ALA N N 15 124.073 0.058 . 1 . . . . . 69 ALA N . 50996 1
329 . 1 . 1 70 70 VAL H H 1 7.960 0.009 . 1 . . . . . 70 VAL H . 50996 1
330 . 1 . 1 70 70 VAL C C 13 174.781 0.007 . 1 . . . . . 70 VAL C . 50996 1
331 . 1 . 1 70 70 VAL CA C 13 63.305 0.005 . 1 . . . . . 70 VAL CA . 50996 1
332 . 1 . 1 70 70 VAL CB C 13 29.011 0.048 . 1 . . . . . 70 VAL CB . 50996 1
333 . 1 . 1 70 70 VAL N N 15 117.586 0.059 . 1 . . . . . 70 VAL N . 50996 1
334 . 1 . 1 71 71 VAL H H 1 7.863 0.012 . 1 . . . . . 71 VAL H . 50996 1
335 . 1 . 1 71 71 VAL C C 13 175.914 0.003 . 1 . . . . . 71 VAL C . 50996 1
336 . 1 . 1 71 71 VAL CA C 13 63.885 0.007 . 1 . . . . . 71 VAL CA . 50996 1
337 . 1 . 1 71 71 VAL CB C 13 29.296 0.000 . 1 . . . . . 71 VAL CB . 50996 1
338 . 1 . 1 71 71 VAL N N 15 118.624 0.047 . 1 . . . . . 71 VAL N . 50996 1
339 . 1 . 1 72 72 THR H H 1 8.034 0.011 . 1 . . . . . 72 THR H . 50996 1
340 . 1 . 1 72 72 THR C C 13 174.047 0.000 . 1 . . . . . 72 THR C . 50996 1
341 . 1 . 1 72 72 THR CA C 13 63.276 0.006 . 1 . . . . . 72 THR CA . 50996 1
342 . 1 . 1 72 72 THR CB C 13 66.332 0.001 . 1 . . . . . 72 THR CB . 50996 1
343 . 1 . 1 72 72 THR N N 15 116.224 0.055 . 1 . . . . . 72 THR N . 50996 1
344 . 1 . 1 73 73 GLY H H 1 8.166 0.009 . 1 . . . . . 73 GLY H . 50996 1
345 . 1 . 1 73 73 GLY C C 13 172.576 0.000 . 1 . . . . . 73 GLY C . 50996 1
346 . 1 . 1 73 73 GLY CA C 13 44.764 0.000 . 1 . . . . . 73 GLY CA . 50996 1
347 . 1 . 1 73 73 GLY N N 15 110.025 0.045 . 1 . . . . . 73 GLY N . 50996 1
348 . 1 . 1 74 74 VAL H H 1 8.419 0.007 . 1 . . . . . 74 VAL H . 50996 1
349 . 1 . 1 74 74 VAL C C 13 175.019 0.000 . 1 . . . . . 74 VAL C . 50996 1
350 . 1 . 1 74 74 VAL CA C 13 63.669 0.003 . 1 . . . . . 74 VAL CA . 50996 1
351 . 1 . 1 74 74 VAL CB C 13 29.246 0.000 . 1 . . . . . 74 VAL CB . 50996 1
352 . 1 . 1 74 74 VAL N N 15 119.884 0.040 . 1 . . . . . 74 VAL N . 50996 1
353 . 1 . 1 75 75 THR H H 1 8.022 0.007 . 1 . . . . . 75 THR H . 50996 1
354 . 1 . 1 75 75 THR C C 13 173.554 0.010 . 1 . . . . . 75 THR C . 50996 1
355 . 1 . 1 75 75 THR CA C 13 63.864 0.006 . 1 . . . . . 75 THR CA . 50996 1
356 . 1 . 1 75 75 THR CB C 13 66.061 0.009 . 1 . . . . . 75 THR CB . 50996 1
357 . 1 . 1 75 75 THR N N 15 113.731 0.054 . 1 . . . . . 75 THR N . 50996 1
358 . 1 . 1 76 76 ALA H H 1 7.737 0.014 . 1 . . . . . 76 ALA H . 50996 1
359 . 1 . 1 76 76 ALA C C 13 178.012 0.004 . 1 . . . . . 76 ALA C . 50996 1
360 . 1 . 1 76 76 ALA CA C 13 52.520 0.006 . 1 . . . . . 76 ALA CA . 50996 1
361 . 1 . 1 76 76 ALA CB C 13 15.897 0.005 . 1 . . . . . 76 ALA CB . 50996 1
362 . 1 . 1 76 76 ALA N N 15 123.445 0.050 . 1 . . . . . 76 ALA N . 50996 1
363 . 1 . 1 77 77 VAL H H 1 7.767 0.008 . 1 . . . . . 77 VAL H . 50996 1
364 . 1 . 1 77 77 VAL C C 13 175.899 0.002 . 1 . . . . . 77 VAL C . 50996 1
365 . 1 . 1 77 77 VAL CA C 13 63.175 0.008 . 1 . . . . . 77 VAL CA . 50996 1
366 . 1 . 1 77 77 VAL CB C 13 29.398 0.054 . 1 . . . . . 77 VAL CB . 50996 1
367 . 1 . 1 77 77 VAL N N 15 117.098 0.030 . 1 . . . . . 77 VAL N . 50996 1
368 . 1 . 1 78 78 ALA H H 1 8.424 0.006 . 1 . . . . . 78 ALA H . 50996 1
369 . 1 . 1 78 78 ALA C C 13 176.453 0.001 . 1 . . . . . 78 ALA C . 50996 1
370 . 1 . 1 78 78 ALA CA C 13 52.748 0.004 . 1 . . . . . 78 ALA CA . 50996 1
371 . 1 . 1 78 78 ALA CB C 13 15.974 0.003 . 1 . . . . . 78 ALA CB . 50996 1
372 . 1 . 1 78 78 ALA N N 15 123.976 0.033 . 1 . . . . . 78 ALA N . 50996 1
373 . 1 . 1 79 79 GLN H H 1 8.093 0.007 . 1 . . . . . 79 GLN H . 50996 1
374 . 1 . 1 79 79 GLN C C 13 175.294 0.002 . 1 . . . . . 79 GLN C . 50996 1
375 . 1 . 1 79 79 GLN CA C 13 55.915 0.006 . 1 . . . . . 79 GLN CA . 50996 1
376 . 1 . 1 79 79 GLN CB C 13 25.962 0.036 . 1 . . . . . 79 GLN CB . 50996 1
377 . 1 . 1 79 79 GLN N N 15 115.506 0.063 . 1 . . . . . 79 GLN N . 50996 1
378 . 1 . 1 80 80 LYS H H 1 7.765 0.010 . 1 . . . . . 80 LYS H . 50996 1
379 . 1 . 1 80 80 LYS C C 13 175.638 0.004 . 1 . . . . . 80 LYS C . 50996 1
380 . 1 . 1 80 80 LYS CA C 13 55.508 0.024 . 1 . . . . . 80 LYS CA . 50996 1
381 . 1 . 1 80 80 LYS CB C 13 30.202 0.000 . 1 . . . . . 80 LYS CB . 50996 1
382 . 1 . 1 80 80 LYS N N 15 118.081 0.072 . 1 . . . . . 80 LYS N . 50996 1
383 . 1 . 1 81 81 THR H H 1 7.928 0.009 . 1 . . . . . 81 THR H . 50996 1
384 . 1 . 1 81 81 THR C C 13 173.227 0.000 . 1 . . . . . 81 THR C . 50996 1
385 . 1 . 1 81 81 THR CA C 13 62.500 0.010 . 1 . . . . . 81 THR CA . 50996 1
386 . 1 . 1 81 81 THR CB C 13 66.528 0.065 . 1 . . . . . 81 THR CB . 50996 1
387 . 1 . 1 81 81 THR N N 15 114.111 0.062 . 1 . . . . . 81 THR N . 50996 1
388 . 1 . 1 82 82 VAL H H 1 7.899 0.007 . 1 . . . . . 82 VAL H . 50996 1
389 . 1 . 1 82 82 VAL C C 13 174.862 0.003 . 1 . . . . . 82 VAL C . 50996 1
390 . 1 . 1 82 82 VAL CA C 13 62.208 0.019 . 1 . . . . . 82 VAL CA . 50996 1
391 . 1 . 1 82 82 VAL CB C 13 30.003 0.016 . 1 . . . . . 82 VAL CB . 50996 1
392 . 1 . 1 82 82 VAL N N 15 119.894 0.063 . 1 . . . . . 82 VAL N . 50996 1
393 . 1 . 1 83 83 GLU H H 1 7.961 0.012 . 1 . . . . . 83 GLU H . 50996 1
394 . 1 . 1 83 83 GLU C C 13 175.365 0.003 . 1 . . . . . 83 GLU C . 50996 1
395 . 1 . 1 83 83 GLU CA C 13 55.260 0.009 . 1 . . . . . 83 GLU CA . 50996 1
396 . 1 . 1 83 83 GLU CB C 13 26.561 0.013 . 1 . . . . . 83 GLU CB . 50996 1
397 . 1 . 1 83 83 GLU N N 15 120.062 0.172 . 1 . . . . . 83 GLU N . 50996 1
398 . 1 . 1 84 84 GLY H H 1 8.050 0.011 . 1 . . . . . 84 GLY H . 50996 1
399 . 1 . 1 84 84 GLY C C 13 172.160 0.007 . 1 . . . . . 84 GLY C . 50996 1
400 . 1 . 1 84 84 GLY CA C 13 43.563 0.000 . 1 . . . . . 84 GLY CA . 50996 1
401 . 1 . 1 84 84 GLY N N 15 107.962 0.042 . 1 . . . . . 84 GLY N . 50996 1
402 . 1 . 1 85 85 ALA H H 1 8.117 0.008 . 1 . . . . . 85 ALA H . 50996 1
403 . 1 . 1 85 85 ALA C C 13 175.981 0.002 . 1 . . . . . 85 ALA C . 50996 1
404 . 1 . 1 85 85 ALA CA C 13 51.189 0.030 . 1 . . . . . 85 ALA CA . 50996 1
405 . 1 . 1 85 85 ALA CB C 13 16.526 0.017 . 1 . . . . . 85 ALA CB . 50996 1
406 . 1 . 1 85 85 ALA N N 15 123.383 0.041 . 1 . . . . . 85 ALA N . 50996 1
407 . 1 . 1 86 86 GLY H H 1 8.259 0.008 . 1 . . . . . 86 GLY H . 50996 1
408 . 1 . 1 86 86 GLY C C 13 172.740 0.003 . 1 . . . . . 86 GLY C . 50996 1
409 . 1 . 1 86 86 GLY CA C 13 43.837 0.000 . 1 . . . . . 86 GLY CA . 50996 1
410 . 1 . 1 86 86 GLY N N 15 106.219 0.048 . 1 . . . . . 86 GLY N . 50996 1
411 . 1 . 1 87 87 SER H H 1 7.912 0.008 . 1 . . . . . 87 SER H . 50996 1
412 . 1 . 1 87 87 SER C C 13 173.171 0.014 . 1 . . . . . 87 SER C . 50996 1
413 . 1 . 1 87 87 SER CA C 13 57.418 0.004 . 1 . . . . . 87 SER CA . 50996 1
414 . 1 . 1 87 87 SER CB C 13 61.199 0.000 . 1 . . . . . 87 SER CB . 50996 1
415 . 1 . 1 87 87 SER N N 15 115.660 0.029 . 1 . . . . . 87 SER N . 50996 1
416 . 1 . 1 88 88 ILE H H 1 7.985 0.012 . 1 . . . . . 88 ILE H . 50996 1
417 . 1 . 1 88 88 ILE C C 13 175.015 0.004 . 1 . . . . . 88 ILE C . 50996 1
418 . 1 . 1 88 88 ILE CA C 13 61.013 0.022 . 1 . . . . . 88 ILE CA . 50996 1
419 . 1 . 1 88 88 ILE CB C 13 35.184 0.025 . 1 . . . . . 88 ILE CB . 50996 1
420 . 1 . 1 88 88 ILE N N 15 121.923 0.035 . 1 . . . . . 88 ILE N . 50996 1
421 . 1 . 1 89 89 ALA H H 1 8.104 0.009 . 1 . . . . . 89 ALA H . 50996 1
422 . 1 . 1 89 89 ALA C C 13 176.838 0.003 . 1 . . . . . 89 ALA C . 50996 1
423 . 1 . 1 89 89 ALA CA C 13 52.054 0.004 . 1 . . . . . 89 ALA CA . 50996 1
424 . 1 . 1 89 89 ALA CB C 13 15.940 0.016 . 1 . . . . . 89 ALA CB . 50996 1
425 . 1 . 1 89 89 ALA N N 15 123.518 0.043 . 1 . . . . . 89 ALA N . 50996 1
426 . 1 . 1 90 90 ALA H H 1 7.853 0.009 . 1 . . . . . 90 ALA H . 50996 1
427 . 1 . 1 90 90 ALA C C 13 176.647 0.003 . 1 . . . . . 90 ALA C . 50996 1
428 . 1 . 1 90 90 ALA CA C 13 51.456 0.009 . 1 . . . . . 90 ALA CA . 50996 1
429 . 1 . 1 90 90 ALA CB C 13 16.144 0.024 . 1 . . . . . 90 ALA CB . 50996 1
430 . 1 . 1 90 90 ALA N N 15 119.731 0.052 . 1 . . . . . 90 ALA N . 50996 1
431 . 1 . 1 91 91 ALA H H 1 7.849 0.012 . 1 . . . . . 91 ALA H . 50996 1
432 . 1 . 1 91 91 ALA C C 13 176.011 0.000 . 1 . . . . . 91 ALA C . 50996 1
433 . 1 . 1 91 91 ALA CA C 13 51.339 0.000 . 1 . . . . . 91 ALA CA . 50996 1
434 . 1 . 1 91 91 ALA CB C 13 16.575 0.044 . 1 . . . . . 91 ALA CB . 50996 1
435 . 1 . 1 91 91 ALA N N 15 120.073 0.066 . 1 . . . . . 91 ALA N . 50996 1
436 . 1 . 1 92 92 THR H H 1 7.747 0.008 . 1 . . . . . 92 THR H . 50996 1
437 . 1 . 1 92 92 THR C C 13 173.328 0.002 . 1 . . . . . 92 THR C . 50996 1
438 . 1 . 1 92 92 THR CA C 13 60.830 0.001 . 1 . . . . . 92 THR CA . 50996 1
439 . 1 . 1 92 92 THR CB C 13 67.368 0.066 . 1 . . . . . 92 THR CB . 50996 1
440 . 1 . 1 92 92 THR N N 15 107.909 0.048 . 1 . . . . . 92 THR N . 50996 1
441 . 1 . 1 93 93 GLY H H 1 7.901 0.007 . 1 . . . . . 93 GLY H . 50996 1
442 . 1 . 1 93 93 GLY C C 13 172.129 0.001 . 1 . . . . . 93 GLY C . 50996 1
443 . 1 . 1 93 93 GLY CA C 13 43.599 0.002 . 1 . . . . . 93 GLY CA . 50996 1
444 . 1 . 1 93 93 GLY N N 15 108.739 0.040 . 1 . . . . . 93 GLY N . 50996 1
445 . 1 . 1 94 94 PHE H H 1 7.746 0.012 . 1 . . . . . 94 PHE H . 50996 1
446 . 1 . 1 94 94 PHE C C 13 173.157 0.002 . 1 . . . . . 94 PHE C . 50996 1
447 . 1 . 1 94 94 PHE CA C 13 56.631 0.009 . 1 . . . . . 94 PHE CA . 50996 1
448 . 1 . 1 94 94 PHE CB C 13 37.256 0.022 . 1 . . . . . 94 PHE CB . 50996 1
449 . 1 . 1 94 94 PHE N N 15 119.384 0.034 . 1 . . . . . 94 PHE N . 50996 1
450 . 1 . 1 95 95 VAL H H 1 7.438 0.007 . 1 . . . . . 95 VAL H . 50996 1
451 . 1 . 1 95 95 VAL C C 13 173.122 0.000 . 1 . . . . . 95 VAL C . 50996 1
452 . 1 . 1 95 95 VAL CA C 13 60.015 0.000 . 1 . . . . . 95 VAL CA . 50996 1
453 . 1 . 1 95 95 VAL CB C 13 30.018 0.026 . 1 . . . . . 95 VAL CB . 50996 1
454 . 1 . 1 95 95 VAL N N 15 118.018 0.021 . 1 . . . . . 95 VAL N . 50996 1
455 . 1 . 1 96 96 LYS H H 1 7.863 0.012 . 1 . . . . . 96 LYS H . 50996 1
456 . 1 . 1 96 96 LYS C C 13 174.404 0.003 . 1 . . . . . 96 LYS C . 50996 1
457 . 1 . 1 96 96 LYS CA C 13 53.951 0.000 . 1 . . . . . 96 LYS CA . 50996 1
458 . 1 . 1 96 96 LYS CB C 13 30.107 0.018 . 1 . . . . . 96 LYS CB . 50996 1
459 . 1 . 1 96 96 LYS N N 15 122.339 0.139 . 1 . . . . . 96 LYS N . 50996 1
460 . 1 . 1 97 97 LYS H H 1 7.929 0.013 . 1 . . . . . 97 LYS H . 50996 1
461 . 1 . 1 97 97 LYS C C 13 174.271 0.087 . 1 . . . . . 97 LYS C . 50996 1
462 . 1 . 1 97 97 LYS CA C 13 54.656 0.007 . 1 . . . . . 97 LYS CA . 50996 1
463 . 1 . 1 97 97 LYS CB C 13 30.194 0.013 . 1 . . . . . 97 LYS CB . 50996 1
464 . 1 . 1 97 97 LYS N N 15 121.002 0.136 . 1 . . . . . 97 LYS N . 50996 1
465 . 1 . 1 98 98 ASP H H 1 8.148 0.014 . 1 . . . . . 98 ASP H . 50996 1
466 . 1 . 1 98 98 ASP C C 13 173.728 0.001 . 1 . . . . . 98 ASP C . 50996 1
467 . 1 . 1 98 98 ASP CA C 13 52.047 0.032 . 1 . . . . . 98 ASP CA . 50996 1
468 . 1 . 1 98 98 ASP CB C 13 37.791 0.022 . 1 . . . . . 98 ASP CB . 50996 1
469 . 1 . 1 98 98 ASP N N 15 119.099 0.186 . 1 . . . . . 98 ASP N . 50996 1
470 . 1 . 1 99 99 GLN H H 1 8.072 0.012 . 1 . . . . . 99 GLN H . 50996 1
471 . 1 . 1 99 99 GLN C C 13 173.707 0.004 . 1 . . . . . 99 GLN C . 50996 1
472 . 1 . 1 99 99 GLN CA C 13 53.585 0.003 . 1 . . . . . 99 GLN CA . 50996 1
473 . 1 . 1 99 99 GLN CB C 13 26.896 0.003 . 1 . . . . . 99 GLN CB . 50996 1
474 . 1 . 1 99 99 GLN N N 15 118.996 0.101 . 1 . . . . . 99 GLN N . 50996 1
475 . 1 . 1 100 100 LEU H H 1 7.914 0.014 . 1 . . . . . 100 LEU H . 50996 1
476 . 1 . 1 100 100 LEU C C 13 175.350 0.001 . 1 . . . . . 100 LEU C . 50996 1
477 . 1 . 1 100 100 LEU CA C 13 52.993 0.001 . 1 . . . . . 100 LEU CA . 50996 1
478 . 1 . 1 100 100 LEU CB C 13 39.796 0.020 . 1 . . . . . 100 LEU CB . 50996 1
479 . 1 . 1 100 100 LEU N N 15 121.214 0.119 . 1 . . . . . 100 LEU N . 50996 1
480 . 1 . 1 101 101 GLY H H 1 8.175 0.014 . 1 . . . . . 101 GLY H . 50996 1
481 . 1 . 1 101 101 GLY C C 13 171.859 0.000 . 1 . . . . . 101 GLY C . 50996 1
482 . 1 . 1 101 101 GLY CA C 13 43.129 0.001 . 1 . . . . . 101 GLY CA . 50996 1
483 . 1 . 1 101 101 GLY N N 15 108.760 0.086 . 1 . . . . . 101 GLY N . 50996 1
484 . 1 . 1 102 102 LYS H H 1 7.901 0.010 . 1 . . . . . 102 LYS H . 50996 1
485 . 1 . 1 102 102 LYS C C 13 173.927 0.003 . 1 . . . . . 102 LYS C . 50996 1
486 . 1 . 1 102 102 LYS CA C 13 53.744 0.031 . 1 . . . . . 102 LYS CA . 50996 1
487 . 1 . 1 102 102 LYS CB C 13 30.483 0.017 . 1 . . . . . 102 LYS CB . 50996 1
488 . 1 . 1 102 102 LYS N N 15 120.101 0.061 . 1 . . . . . 102 LYS N . 50996 1
489 . 1 . 1 103 103 ASN H H 1 8.318 0.013 . 1 . . . . . 103 ASN H . 50996 1
490 . 1 . 1 103 103 ASN C C 13 172.617 0.001 . 1 . . . . . 103 ASN C . 50996 1
491 . 1 . 1 103 103 ASN CA C 13 50.729 0.002 . 1 . . . . . 103 ASN CA . 50996 1
492 . 1 . 1 103 103 ASN CB C 13 36.612 0.006 . 1 . . . . . 103 ASN CB . 50996 1
493 . 1 . 1 103 103 ASN N N 15 119.528 0.099 . 1 . . . . . 103 ASN N . 50996 1
494 . 1 . 1 104 104 GLU H H 1 8.241 0.014 . 1 . . . . . 104 GLU H . 50996 1
495 . 1 . 1 104 104 GLU C C 13 173.825 0.001 . 1 . . . . . 104 GLU C . 50996 1
496 . 1 . 1 104 104 GLU CA C 13 53.796 0.005 . 1 . . . . . 104 GLU CA . 50996 1
497 . 1 . 1 104 104 GLU CB C 13 27.424 0.028 . 1 . . . . . 104 GLU CB . 50996 1
498 . 1 . 1 104 104 GLU N N 15 121.370 0.087 . 1 . . . . . 104 GLU N . 50996 1
499 . 1 . 1 105 105 GLU H H 1 8.285 0.009 . 1 . . . . . 105 GLU H . 50996 1
500 . 1 . 1 105 105 GLU C C 13 174.323 0.006 . 1 . . . . . 105 GLU C . 50996 1
501 . 1 . 1 105 105 GLU CA C 13 54.044 0.000 . 1 . . . . . 105 GLU CA . 50996 1
502 . 1 . 1 105 105 GLU CB C 13 27.710 0.060 . 1 . . . . . 105 GLU CB . 50996 1
503 . 1 . 1 105 105 GLU N N 15 121.948 0.082 . 1 . . . . . 105 GLU N . 50996 1
504 . 1 . 1 106 106 GLY H H 1 8.226 0.008 . 1 . . . . . 106 GLY H . 50996 1
505 . 1 . 1 106 106 GLY C C 13 170.851 0.005 . 1 . . . . . 106 GLY C . 50996 1
506 . 1 . 1 106 106 GLY CA C 13 42.577 0.009 . 1 . . . . . 106 GLY CA . 50996 1
507 . 1 . 1 106 106 GLY N N 15 109.744 0.052 . 1 . . . . . 106 GLY N . 50996 1
508 . 1 . 1 107 107 ALA H H 1 7.991 0.007 . 1 . . . . . 107 ALA H . 50996 1
509 . 1 . 1 107 107 ALA C C 13 173.105 0.000 . 1 . . . . . 107 ALA C . 50996 1
510 . 1 . 1 107 107 ALA CA C 13 47.819 0.000 . 1 . . . . . 107 ALA CA . 50996 1
511 . 1 . 1 107 107 ALA CB C 13 15.813 0.000 . 1 . . . . . 107 ALA CB . 50996 1
512 . 1 . 1 107 107 ALA N N 15 124.779 0.050 . 1 . . . . . 107 ALA N . 50996 1
513 . 1 . 1 108 108 PRO C C 13 174.529 0.000 . 1 . . . . . 108 PRO C . 50996 1
514 . 1 . 1 108 108 PRO CA C 13 60.493 0.000 . 1 . . . . . 108 PRO CA . 50996 1
515 . 1 . 1 108 108 PRO CB C 13 29.484 0.000 . 1 . . . . . 108 PRO CB . 50996 1
516 . 1 . 1 109 109 GLN H H 1 8.342 0.007 . 1 . . . . . 109 GLN H . 50996 1
517 . 1 . 1 109 109 GLN C C 13 173.449 0.000 . 1 . . . . . 109 GLN C . 50996 1
518 . 1 . 1 109 109 GLN CA C 13 53.178 0.007 . 1 . . . . . 109 GLN CA . 50996 1
519 . 1 . 1 109 109 GLN CB C 13 27.056 0.035 . 1 . . . . . 109 GLN CB . 50996 1
520 . 1 . 1 109 109 GLN N N 15 120.680 0.043 . 1 . . . . . 109 GLN N . 50996 1
521 . 1 . 1 110 110 GLU H H 1 8.299 0.010 . 1 . . . . . 110 GLU H . 50996 1
522 . 1 . 1 110 110 GLU C C 13 174.217 0.000 . 1 . . . . . 110 GLU C . 50996 1
523 . 1 . 1 110 110 GLU CA C 13 53.955 0.005 . 1 . . . . . 110 GLU CA . 50996 1
524 . 1 . 1 110 110 GLU CB C 13 27.912 0.022 . 1 . . . . . 110 GLU CB . 50996 1
525 . 1 . 1 110 110 GLU N N 15 122.064 0.060 . 1 . . . . . 110 GLU N . 50996 1
526 . 1 . 1 111 111 GLY H H 1 8.283 0.006 . 1 . . . . . 111 GLY H . 50996 1
527 . 1 . 1 111 111 GLY C C 13 171.253 0.001 . 1 . . . . . 111 GLY C . 50996 1
528 . 1 . 1 111 111 GLY CA C 13 42.888 0.001 . 1 . . . . . 111 GLY CA . 50996 1
529 . 1 . 1 111 111 GLY N N 15 109.796 0.031 . 1 . . . . . 111 GLY N . 50996 1
530 . 1 . 1 112 112 ILE H H 1 7.807 0.008 . 1 . . . . . 112 ILE H . 50996 1
531 . 1 . 1 112 112 ILE C C 13 173.542 0.001 . 1 . . . . . 112 ILE C . 50996 1
532 . 1 . 1 112 112 ILE CA C 13 58.366 0.005 . 1 . . . . . 112 ILE CA . 50996 1
533 . 1 . 1 112 112 ILE CB C 13 36.325 0.001 . 1 . . . . . 112 ILE CB . 50996 1
534 . 1 . 1 112 112 ILE N N 15 119.752 0.047 . 1 . . . . . 112 ILE N . 50996 1
535 . 1 . 1 113 113 LEU H H 1 8.165 0.007 . 1 . . . . . 113 LEU H . 50996 1
536 . 1 . 1 113 113 LEU C C 13 174.434 0.003 . 1 . . . . . 113 LEU C . 50996 1
537 . 1 . 1 113 113 LEU CA C 13 52.401 0.007 . 1 . . . . . 113 LEU CA . 50996 1
538 . 1 . 1 113 113 LEU CB C 13 39.995 0.016 . 1 . . . . . 113 LEU CB . 50996 1
539 . 1 . 1 113 113 LEU N N 15 126.441 0.046 . 1 . . . . . 113 LEU N . 50996 1
540 . 1 . 1 114 114 GLU H H 1 8.202 0.008 . 1 . . . . . 114 GLU H . 50996 1
541 . 1 . 1 114 114 GLU C C 13 173.226 0.003 . 1 . . . . . 114 GLU C . 50996 1
542 . 1 . 1 114 114 GLU CA C 13 53.697 0.004 . 1 . . . . . 114 GLU CA . 50996 1
543 . 1 . 1 114 114 GLU CB C 13 27.896 0.075 . 1 . . . . . 114 GLU CB . 50996 1
544 . 1 . 1 114 114 GLU N N 15 121.897 0.063 . 1 . . . . . 114 GLU N . 50996 1
545 . 1 . 1 115 115 ASP H H 1 8.171 0.006 . 1 . . . . . 115 ASP H . 50996 1
546 . 1 . 1 115 115 ASP C C 13 173.072 0.002 . 1 . . . . . 115 ASP C . 50996 1
547 . 1 . 1 115 115 ASP CA C 13 51.480 0.000 . 1 . . . . . 115 ASP CA . 50996 1
548 . 1 . 1 115 115 ASP CB C 13 38.616 0.026 . 1 . . . . . 115 ASP CB . 50996 1
549 . 1 . 1 115 115 ASP N N 15 121.247 0.076 . 1 . . . . . 115 ASP N . 50996 1
550 . 1 . 1 116 116 MET H H 1 8.069 0.006 . 1 . . . . . 116 MET H . 50996 1
551 . 1 . 1 116 116 MET C C 13 171.482 0.000 . 1 . . . . . 116 MET C . 50996 1
552 . 1 . 1 116 116 MET CA C 13 50.645 0.000 . 1 . . . . . 116 MET CA . 50996 1
553 . 1 . 1 116 116 MET CB C 13 30.344 0.000 . 1 . . . . . 116 MET CB . 50996 1
554 . 1 . 1 116 116 MET N N 15 121.689 0.030 . 1 . . . . . 116 MET N . 50996 1
555 . 1 . 1 117 117 PRO C C 13 174.152 0.000 . 1 . . . . . 117 PRO C . 50996 1
556 . 1 . 1 117 117 PRO CA C 13 60.368 0.000 . 1 . . . . . 117 PRO CA . 50996 1
557 . 1 . 1 117 117 PRO CB C 13 29.591 0.000 . 1 . . . . . 117 PRO CB . 50996 1
558 . 1 . 1 118 118 VAL H H 1 8.017 0.005 . 1 . . . . . 118 VAL H . 50996 1
559 . 1 . 1 118 118 VAL C C 13 173.114 0.000 . 1 . . . . . 118 VAL C . 50996 1
560 . 1 . 1 118 118 VAL CA C 13 59.215 0.013 . 1 . . . . . 118 VAL CA . 50996 1
561 . 1 . 1 118 118 VAL CB C 13 30.575 0.012 . 1 . . . . . 118 VAL CB . 50996 1
562 . 1 . 1 118 118 VAL N N 15 119.971 0.022 . 1 . . . . . 118 VAL N . 50996 1
563 . 1 . 1 119 119 ASP H H 1 8.255 0.005 . 1 . . . . . 119 ASP H . 50996 1
564 . 1 . 1 119 119 ASP C C 13 172.078 0.000 . 1 . . . . . 119 ASP C . 50996 1
565 . 1 . 1 119 119 ASP CA C 13 49.476 0.000 . 1 . . . . . 119 ASP CA . 50996 1
566 . 1 . 1 119 119 ASP CB C 13 38.509 0.000 . 1 . . . . . 119 ASP CB . 50996 1
567 . 1 . 1 119 119 ASP N N 15 125.131 0.058 . 1 . . . . . 119 ASP N . 50996 1
568 . 1 . 1 120 120 PRO C C 13 174.370 0.000 . 1 . . . . . 120 PRO C . 50996 1
569 . 1 . 1 120 120 PRO CA C 13 60.944 0.000 . 1 . . . . . 120 PRO CA . 50996 1
570 . 1 . 1 120 120 PRO CB C 13 29.691 0.000 . 1 . . . . . 120 PRO CB . 50996 1
571 . 1 . 1 121 121 ASP H H 1 8.217 0.006 . 1 . . . . . 121 ASP H . 50996 1
572 . 1 . 1 121 121 ASP C C 13 173.559 0.000 . 1 . . . . . 121 ASP C . 50996 1
573 . 1 . 1 121 121 ASP CA C 13 51.813 0.005 . 1 . . . . . 121 ASP CA . 50996 1
574 . 1 . 1 121 121 ASP CB C 13 38.268 0.027 . 1 . . . . . 121 ASP CB . 50996 1
575 . 1 . 1 121 121 ASP N N 15 119.239 0.068 . 1 . . . . . 121 ASP N . 50996 1
576 . 1 . 1 122 122 ASN H H 1 8.038 0.007 . 1 . . . . . 122 ASN H . 50996 1
577 . 1 . 1 122 122 ASN C C 13 172.766 0.003 . 1 . . . . . 122 ASN C . 50996 1
578 . 1 . 1 122 122 ASN CA C 13 50.870 0.000 . 1 . . . . . 122 ASN CA . 50996 1
579 . 1 . 1 122 122 ASN CB C 13 36.793 0.006 . 1 . . . . . 122 ASN CB . 50996 1
580 . 1 . 1 122 122 ASN N N 15 118.876 0.030 . 1 . . . . . 122 ASN N . 50996 1
581 . 1 . 1 123 123 GLU H H 1 8.172 0.010 . 1 . . . . . 123 GLU H . 50996 1
582 . 1 . 1 123 123 GLU C C 13 173.394 0.001 . 1 . . . . . 123 GLU C . 50996 1
583 . 1 . 1 123 123 GLU CA C 13 54.051 0.002 . 1 . . . . . 123 GLU CA . 50996 1
584 . 1 . 1 123 123 GLU CB C 13 27.367 0.007 . 1 . . . . . 123 GLU CB . 50996 1
585 . 1 . 1 123 123 GLU N N 15 121.097 0.073 . 1 . . . . . 123 GLU N . 50996 1
586 . 1 . 1 124 124 ALA H H 1 8.009 0.008 . 1 . . . . . 124 ALA H . 50996 1
587 . 1 . 1 124 124 ALA C C 13 174.596 0.001 . 1 . . . . . 124 ALA C . 50996 1
588 . 1 . 1 124 124 ALA CA C 13 49.796 0.005 . 1 . . . . . 124 ALA CA . 50996 1
589 . 1 . 1 124 124 ALA CB C 13 16.647 0.007 . 1 . . . . . 124 ALA CB . 50996 1
590 . 1 . 1 124 124 ALA N N 15 124.195 0.049 . 1 . . . . . 124 ALA N . 50996 1
591 . 1 . 1 125 125 TYR H H 1 7.828 0.009 . 1 . . . . . 125 TYR H . 50996 1
592 . 1 . 1 125 125 TYR C C 13 172.857 0.004 . 1 . . . . . 125 TYR C . 50996 1
593 . 1 . 1 125 125 TYR CA C 13 54.977 0.002 . 1 . . . . . 125 TYR CA . 50996 1
594 . 1 . 1 125 125 TYR CB C 13 36.474 0.006 . 1 . . . . . 125 TYR CB . 50996 1
595 . 1 . 1 125 125 TYR N N 15 119.304 0.068 . 1 . . . . . 125 TYR N . 50996 1
596 . 1 . 1 126 126 GLU H H 1 7.986 0.013 . 1 . . . . . 126 GLU H . 50996 1
597 . 1 . 1 126 126 GLU C C 13 172.980 0.007 . 1 . . . . . 126 GLU C . 50996 1
598 . 1 . 1 126 126 GLU CA C 13 53.206 0.001 . 1 . . . . . 126 GLU CA . 50996 1
599 . 1 . 1 126 126 GLU CB C 13 27.947 0.009 . 1 . . . . . 126 GLU CB . 50996 1
600 . 1 . 1 126 126 GLU N N 15 122.751 0.072 . 1 . . . . . 126 GLU N . 50996 1
601 . 1 . 1 127 127 MET H H 1 8.188 0.010 . 1 . . . . . 127 MET H . 50996 1
602 . 1 . 1 127 127 MET C C 13 171.645 0.000 . 1 . . . . . 127 MET C . 50996 1
603 . 1 . 1 127 127 MET CA C 13 50.744 0.000 . 1 . . . . . 127 MET CA . 50996 1
604 . 1 . 1 127 127 MET CB C 13 30.188 0.000 . 1 . . . . . 127 MET CB . 50996 1
605 . 1 . 1 127 127 MET N N 15 123.150 0.052 . 1 . . . . . 127 MET N . 50996 1
606 . 1 . 1 128 128 PRO C C 13 174.374 0.000 . 1 . . . . . 128 PRO C . 50996 1
607 . 1 . 1 128 128 PRO CA C 13 60.598 0.000 . 1 . . . . . 128 PRO CA . 50996 1
608 . 1 . 1 128 128 PRO CB C 13 29.582 0.000 . 1 . . . . . 128 PRO CB . 50996 1
609 . 1 . 1 129 129 SER H H 1 8.237 0.008 . 1 . . . . . 129 SER H . 50996 1
610 . 1 . 1 129 129 SER C C 13 172.211 0.005 . 1 . . . . . 129 SER C . 50996 1
611 . 1 . 1 129 129 SER CA C 13 55.643 0.007 . 1 . . . . . 129 SER CA . 50996 1
612 . 1 . 1 129 129 SER CB C 13 61.548 0.009 . 1 . . . . . 129 SER CB . 50996 1
613 . 1 . 1 129 129 SER N N 15 116.104 0.057 . 1 . . . . . 129 SER N . 50996 1
614 . 1 . 1 130 130 GLU H H 1 8.347 0.011 . 1 . . . . . 130 GLU H . 50996 1
615 . 1 . 1 130 130 GLU C C 13 173.869 0.001 . 1 . . . . . 130 GLU C . 50996 1
616 . 1 . 1 130 130 GLU CA C 13 53.913 0.000 . 1 . . . . . 130 GLU CA . 50996 1
617 . 1 . 1 130 130 GLU CB C 13 27.678 0.000 . 1 . . . . . 130 GLU CB . 50996 1
618 . 1 . 1 130 130 GLU N N 15 122.716 0.066 . 1 . . . . . 130 GLU N . 50996 1
619 . 1 . 1 131 131 GLU H H 1 8.269 0.014 . 1 . . . . . 131 GLU H . 50996 1
620 . 1 . 1 131 131 GLU C C 13 174.277 0.003 . 1 . . . . . 131 GLU C . 50996 1
621 . 1 . 1 131 131 GLU CA C 13 54.144 0.005 . 1 . . . . . 131 GLU CA . 50996 1
622 . 1 . 1 131 131 GLU CB C 13 27.679 0.003 . 1 . . . . . 131 GLU CB . 50996 1
623 . 1 . 1 131 131 GLU N N 15 121.500 0.090 . 1 . . . . . 131 GLU N . 50996 1
624 . 1 . 1 132 132 GLY H H 1 8.195 0.007 . 1 . . . . . 132 GLY H . 50996 1
625 . 1 . 1 132 132 GLY C C 13 171.260 0.002 . 1 . . . . . 132 GLY C . 50996 1
626 . 1 . 1 132 132 GLY CA C 13 42.785 0.002 . 1 . . . . . 132 GLY CA . 50996 1
627 . 1 . 1 132 132 GLY N N 15 109.400 0.030 . 1 . . . . . 132 GLY N . 50996 1
628 . 1 . 1 133 133 TYR H H 1 7.868 0.004 . 1 . . . . . 133 TYR H . 50996 1
629 . 1 . 1 133 133 TYR C C 13 173.124 0.001 . 1 . . . . . 133 TYR C . 50996 1
630 . 1 . 1 133 133 TYR CA C 13 55.342 0.000 . 1 . . . . . 133 TYR CA . 50996 1
631 . 1 . 1 133 133 TYR CB C 13 36.369 0.000 . 1 . . . . . 133 TYR CB . 50996 1
632 . 1 . 1 133 133 TYR N N 15 119.946 0.035 . 1 . . . . . 133 TYR N . 50996 1
633 . 1 . 1 134 134 GLN H H 1 8.054 0.009 . 1 . . . . . 134 GLN H . 50996 1
634 . 1 . 1 134 134 GLN C C 13 172.405 0.001 . 1 . . . . . 134 GLN C . 50996 1
635 . 1 . 1 134 134 GLN CA C 13 52.980 0.009 . 1 . . . . . 134 GLN CA . 50996 1
636 . 1 . 1 134 134 GLN CB C 13 27.295 0.024 . 1 . . . . . 134 GLN CB . 50996 1
637 . 1 . 1 134 134 GLN N N 15 122.110 0.037 . 1 . . . . . 134 GLN N . 50996 1
638 . 1 . 1 135 135 ASP H H 1 8.075 0.008 . 1 . . . . . 135 ASP H . 50996 1
639 . 1 . 1 135 135 ASP C C 13 172.834 0.003 . 1 . . . . . 135 ASP C . 50996 1
640 . 1 . 1 135 135 ASP CA C 13 51.539 0.002 . 1 . . . . . 135 ASP CA . 50996 1
641 . 1 . 1 135 135 ASP CB C 13 38.537 0.004 . 1 . . . . . 135 ASP CB . 50996 1
642 . 1 . 1 135 135 ASP N N 15 121.345 0.061 . 1 . . . . . 135 ASP N . 50996 1
643 . 1 . 1 136 136 TYR H H 1 7.875 0.007 . 1 . . . . . 136 TYR H . 50996 1
644 . 1 . 1 136 136 TYR C C 13 172.453 0.002 . 1 . . . . . 136 TYR C . 50996 1
645 . 1 . 1 136 136 TYR CA C 13 54.965 0.002 . 1 . . . . . 136 TYR CA . 50996 1
646 . 1 . 1 136 136 TYR CB C 13 36.616 0.011 . 1 . . . . . 136 TYR CB . 50996 1
647 . 1 . 1 136 136 TYR N N 15 120.332 0.050 . 1 . . . . . 136 TYR N . 50996 1
648 . 1 . 1 137 137 GLU H H 1 8.034 0.013 . 1 . . . . . 137 GLU H . 50996 1
649 . 1 . 1 137 137 GLU C C 13 171.207 0.000 . 1 . . . . . 137 GLU C . 50996 1
650 . 1 . 1 137 137 GLU CA C 13 50.959 0.000 . 1 . . . . . 137 GLU CA . 50996 1
651 . 1 . 1 137 137 GLU CB C 13 27.467 0.000 . 1 . . . . . 137 GLU CB . 50996 1
652 . 1 . 1 137 137 GLU N N 15 124.666 0.057 . 1 . . . . . 137 GLU N . 50996 1
653 . 1 . 1 138 138 PRO C C 13 174.310 0.000 . 1 . . . . . 138 PRO C . 50996 1
654 . 1 . 1 138 138 PRO CA C 13 60.465 0.000 . 1 . . . . . 138 PRO CA . 50996 1
655 . 1 . 1 138 138 PRO CB C 13 29.681 0.000 . 1 . . . . . 138 PRO CB . 50996 1
656 . 1 . 1 139 139 GLU H H 1 8.285 0.010 . 1 . . . . . 139 GLU H . 50996 1
657 . 1 . 1 139 139 GLU C C 13 172.691 0.003 . 1 . . . . . 139 GLU C . 50996 1
658 . 1 . 1 139 139 GLU CA C 13 53.950 0.057 . 1 . . . . . 139 GLU CA . 50996 1
659 . 1 . 1 139 139 GLU CB C 13 27.664 0.017 . 1 . . . . . 139 GLU CB . 50996 1
660 . 1 . 1 139 139 GLU N N 15 121.060 0.046 . 1 . . . . . 139 GLU N . 50996 1
661 . 1 . 1 140 140 ALA H H 1 7.760 0.005 . 1 . . . . . 140 ALA H . 50996 1
662 . 1 . 1 140 140 ALA C C 13 179.691 0.000 . 1 . . . . . 140 ALA C . 50996 1
663 . 1 . 1 140 140 ALA CA C 13 51.134 0.039 . 1 . . . . . 140 ALA CA . 50996 1
664 . 1 . 1 140 140 ALA CB C 13 17.900 0.000 . 1 . . . . . 140 ALA CB . 50996 1
665 . 1 . 1 140 140 ALA N N 15 130.352 0.034 . 1 . . . . . 140 ALA N . 50996 1
stop_
save_