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 50896
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name Assignments_CEL_SDS
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 50896 1
2 '3D HNCACB' . . . 50896 1
3 '3D CBCACONH' . . . 50896 1
4 '3D HNCO' . . . 50896 1
5 '3D HNCACO' . . . 50896 1
7 '3D 1H-15N TOCSY' . . . 50896 1
9 '3D HAHN' . . . 50896 1
15 '3D HBHANH' . . . 50896 1
16 '3D HBHA(CO)NH' . . . 50896 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
3 $software_3 . . 50896 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 HA H 1 4.839 0.000 . 1 . . . . . 2 ASP HA . 50896 1
2 . 1 . 1 2 2 ASP C C 13 175.722 0.000 . 1 . . . . . 2 ASP C . 50896 1
3 . 1 . 1 2 2 ASP CA C 13 54.708 0.000 . 1 . . . . . 2 ASP CA . 50896 1
4 . 1 . 1 2 2 ASP CB C 13 41.330 0.000 . 1 . . . . . 2 ASP CB . 50896 1
5 . 1 . 1 3 3 VAL H H 1 8.016 0.001 . 1 . . . . . 3 VAL H . 50896 1
6 . 1 . 1 3 3 VAL HA H 1 3.919 0.005 . 1 . . . . . 3 VAL HA . 50896 1
7 . 1 . 1 3 3 VAL C C 13 176.185 0.000 . 1 . . . . . 3 VAL C . 50896 1
8 . 1 . 1 3 3 VAL CA C 13 64.037 0.006 . 1 . . . . . 3 VAL CA . 50896 1
9 . 1 . 1 3 3 VAL CB C 13 32.450 0.048 . 1 . . . . . 3 VAL CB . 50896 1
10 . 1 . 1 3 3 VAL N N 15 119.225 0.041 . 1 . . . . . 3 VAL N . 50896 1
11 . 1 . 1 4 4 PHE H H 1 8.010 0.000 . 1 . . . . . 4 PHE H . 50896 1
12 . 1 . 1 4 4 PHE HA H 1 4.488 0.002 . 1 . . . . . 4 PHE HA . 50896 1
13 . 1 . 1 4 4 PHE C C 13 176.558 0.000 . 1 . . . . . 4 PHE C . 50896 1
14 . 1 . 1 4 4 PHE CA C 13 59.590 0.003 . 1 . . . . . 4 PHE CA . 50896 1
15 . 1 . 1 4 4 PHE CB C 13 38.758 0.043 . 1 . . . . . 4 PHE CB . 50896 1
16 . 1 . 1 4 4 PHE N N 15 120.574 0.020 . 1 . . . . . 4 PHE N . 50896 1
17 . 1 . 1 5 5 MET H H 1 7.983 0.001 . 1 . . . . . 5 MET H . 50896 1
18 . 1 . 1 5 5 MET HA H 1 4.316 0.001 . 1 . . . . . 5 MET HA . 50896 1
19 . 1 . 1 5 5 MET C C 13 176.661 0.000 . 1 . . . . . 5 MET C . 50896 1
20 . 1 . 1 5 5 MET CA C 13 56.981 0.019 . 1 . . . . . 5 MET CA . 50896 1
21 . 1 . 1 5 5 MET CB C 13 32.150 0.057 . 1 . . . . . 5 MET CB . 50896 1
22 . 1 . 1 5 5 MET N N 15 118.570 0.011 . 1 . . . . . 5 MET N . 50896 1
23 . 1 . 1 6 6 LYS H H 1 8.181 0.001 . 1 . . . . . 6 LYS H . 50896 1
24 . 1 . 1 6 6 LYS HA H 1 4.086 0.000 . 1 . . . . . 6 LYS HA . 50896 1
25 . 1 . 1 6 6 LYS C C 13 178.556 0.000 . 1 . . . . . 6 LYS C . 50896 1
26 . 1 . 1 6 6 LYS CA C 13 58.446 0.001 . 1 . . . . . 6 LYS CA . 50896 1
27 . 1 . 1 6 6 LYS CB C 13 32.506 0.016 . 1 . . . . . 6 LYS CB . 50896 1
28 . 1 . 1 6 6 LYS N N 15 120.379 0.014 . 1 . . . . . 6 LYS N . 50896 1
29 . 1 . 1 7 7 GLY H H 1 8.222 0.001 . 1 . . . . . 7 GLY H . 50896 1
30 . 1 . 1 7 7 GLY HA2 H 1 3.931 0.000 . 2 . . . . . 7 GLY HA2 . 50896 1
31 . 1 . 1 7 7 GLY HA3 H 1 3.931 0.000 . 2 . . . . . 7 GLY HA3 . 50896 1
32 . 1 . 1 7 7 GLY C C 13 174.990 0.000 . 1 . . . . . 7 GLY C . 50896 1
33 . 1 . 1 7 7 GLY CA C 13 46.581 0.000 . 1 . . . . . 7 GLY CA . 50896 1
34 . 1 . 1 7 7 GLY N N 15 107.887 0.027 . 1 . . . . . 7 GLY N . 50896 1
35 . 1 . 1 8 8 LEU H H 1 8.140 0.005 . 1 . . . . . 8 LEU H . 50896 1
36 . 1 . 1 8 8 LEU HA H 1 4.114 0.002 . 1 . . . . . 8 LEU HA . 50896 1
37 . 1 . 1 8 8 LEU C C 13 178.307 0.001 . 1 . . . . . 8 LEU C . 50896 1
38 . 1 . 1 8 8 LEU CA C 13 57.446 0.003 . 1 . . . . . 8 LEU CA . 50896 1
39 . 1 . 1 8 8 LEU CB C 13 41.912 0.003 . 1 . . . . . 8 LEU CB . 50896 1
40 . 1 . 1 8 8 LEU N N 15 121.201 0.041 . 1 . . . . . 8 LEU N . 50896 1
41 . 1 . 1 9 9 SER H H 1 8.044 0.001 . 1 . . . . . 9 SER H . 50896 1
42 . 1 . 1 9 9 SER HA H 1 4.177 0.002 . 1 . . . . . 9 SER HA . 50896 1
43 . 1 . 1 9 9 SER C C 13 176.584 0.000 . 1 . . . . . 9 SER C . 50896 1
44 . 1 . 1 9 9 SER CA C 13 61.749 0.009 . 1 . . . . . 9 SER CA . 50896 1
45 . 1 . 1 9 9 SER CB C 13 63.023 0.013 . 1 . . . . . 9 SER CB . 50896 1
46 . 1 . 1 9 9 SER N N 15 113.509 0.019 . 1 . . . . . 9 SER N . 50896 1
47 . 1 . 1 10 10 LYS H H 1 7.790 0.000 . 1 . . . . . 10 LYS H . 50896 1
48 . 1 . 1 10 10 LYS HA H 1 4.238 0.000 . 1 . . . . . 10 LYS HA . 50896 1
49 . 1 . 1 10 10 LYS CA C 13 58.065 0.000 . 1 . . . . . 10 LYS CA . 50896 1
50 . 1 . 1 10 10 LYS CB C 13 32.181 0.057 . 1 . . . . . 10 LYS CB . 50896 1
51 . 1 . 1 10 10 LYS N N 15 121.059 0.062 . 1 . . . . . 10 LYS N . 50896 1
52 . 1 . 1 11 11 ALA HA H 1 4.206 0.000 . 1 . . . . . 11 ALA HA . 50896 1
53 . 1 . 1 11 11 ALA C C 13 178.475 0.000 . 1 . . . . . 11 ALA C . 50896 1
54 . 1 . 1 11 11 ALA CA C 13 54.302 0.000 . 1 . . . . . 11 ALA CA . 50896 1
55 . 1 . 1 11 11 ALA CB C 13 18.619 0.000 . 1 . . . . . 11 ALA CB . 50896 1
56 . 1 . 1 12 12 LYS H H 1 8.176 0.000 . 1 . . . . . 12 LYS H . 50896 1
57 . 1 . 1 12 12 LYS HA H 1 3.886 0.004 . 1 . . . . . 12 LYS HA . 50896 1
58 . 1 . 1 12 12 LYS C C 13 177.602 0.000 . 1 . . . . . 12 LYS C . 50896 1
59 . 1 . 1 12 12 LYS CA C 13 59.956 0.010 . 1 . . . . . 12 LYS CA . 50896 1
60 . 1 . 1 12 12 LYS CB C 13 32.255 0.013 . 1 . . . . . 12 LYS CB . 50896 1
61 . 1 . 1 12 12 LYS N N 15 117.462 0.025 . 1 . . . . . 12 LYS N . 50896 1
62 . 1 . 1 13 13 GLU H H 1 7.977 0.001 . 1 . . . . . 13 GLU H . 50896 1
63 . 1 . 1 13 13 GLU HA H 1 4.061 0.011 . 1 . . . . . 13 GLU HA . 50896 1
64 . 1 . 1 13 13 GLU C C 13 179.286 0.000 . 1 . . . . . 13 GLU C . 50896 1
65 . 1 . 1 13 13 GLU CA C 13 59.086 0.002 . 1 . . . . . 13 GLU CA . 50896 1
66 . 1 . 1 13 13 GLU CB C 13 29.406 0.056 . 1 . . . . . 13 GLU CB . 50896 1
67 . 1 . 1 13 13 GLU N N 15 116.969 0.023 . 1 . . . . . 13 GLU N . 50896 1
68 . 1 . 1 14 14 GLY H H 1 8.208 0.001 . 1 . . . . . 14 GLY H . 50896 1
69 . 1 . 1 14 14 GLY HA2 H 1 3.867 0.001 . 2 . . . . . 14 GLY HA2 . 50896 1
70 . 1 . 1 14 14 GLY HA3 H 1 3.867 0.001 . 2 . . . . . 14 GLY HA3 . 50896 1
71 . 1 . 1 14 14 GLY C C 13 175.795 0.000 . 1 . . . . . 14 GLY C . 50896 1
72 . 1 . 1 14 14 GLY CA C 13 46.912 0.005 . 1 . . . . . 14 GLY CA . 50896 1
73 . 1 . 1 14 14 GLY N N 15 107.555 0.036 . 1 . . . . . 14 GLY N . 50896 1
74 . 1 . 1 15 15 VAL H H 1 8.218 0.024 . 1 . . . . . 15 VAL H . 50896 1
75 . 1 . 1 15 15 VAL HA H 1 3.774 0.003 . 1 . . . . . 15 VAL HA . 50896 1
76 . 1 . 1 15 15 VAL C C 13 177.116 0.000 . 1 . . . . . 15 VAL C . 50896 1
77 . 1 . 1 15 15 VAL CA C 13 66.349 0.002 . 1 . . . . . 15 VAL CA . 50896 1
78 . 1 . 1 15 15 VAL CB C 13 31.682 0.026 . 1 . . . . . 15 VAL CB . 50896 1
79 . 1 . 1 15 15 VAL N N 15 121.995 0.027 . 1 . . . . . 15 VAL N . 50896 1
80 . 1 . 1 16 16 VAL H H 1 8.035 0.001 . 1 . . . . . 16 VAL H . 50896 1
81 . 1 . 1 16 16 VAL HA H 1 3.635 0.003 . 1 . . . . . 16 VAL HA . 50896 1
82 . 1 . 1 16 16 VAL C C 13 178.145 0.010 . 1 . . . . . 16 VAL C . 50896 1
83 . 1 . 1 16 16 VAL CA C 13 66.777 0.002 . 1 . . . . . 16 VAL CA . 50896 1
84 . 1 . 1 16 16 VAL CB C 13 31.664 0.006 . 1 . . . . . 16 VAL CB . 50896 1
85 . 1 . 1 16 16 VAL N N 15 119.631 0.037 . 1 . . . . . 16 VAL N . 50896 1
86 . 1 . 1 17 17 ALA H H 1 7.890 0.001 . 1 . . . . . 17 ALA H . 50896 1
87 . 1 . 1 17 17 ALA HA H 1 4.220 0.008 . 1 . . . . . 17 ALA HA . 50896 1
88 . 1 . 1 17 17 ALA C C 13 180.373 0.000 . 1 . . . . . 17 ALA C . 50896 1
89 . 1 . 1 17 17 ALA CA C 13 54.815 0.016 . 1 . . . . . 17 ALA CA . 50896 1
90 . 1 . 1 17 17 ALA CB C 13 18.219 0.025 . 1 . . . . . 17 ALA CB . 50896 1
91 . 1 . 1 17 17 ALA N N 15 121.401 0.009 . 1 . . . . . 17 ALA N . 50896 1
92 . 1 . 1 18 18 ALA H H 1 8.011 0.000 . 1 . . . . . 18 ALA H . 50896 1
93 . 1 . 1 18 18 ALA HA H 1 4.201 0.002 . 1 . . . . . 18 ALA HA . 50896 1
94 . 1 . 1 18 18 ALA C C 13 180.141 0.000 . 1 . . . . . 18 ALA C . 50896 1
95 . 1 . 1 18 18 ALA CA C 13 54.609 0.010 . 1 . . . . . 18 ALA CA . 50896 1
96 . 1 . 1 18 18 ALA CB C 13 18.525 0.032 . 1 . . . . . 18 ALA CB . 50896 1
97 . 1 . 1 18 18 ALA N N 15 120.830 0.023 . 1 . . . . . 18 ALA N . 50896 1
98 . 1 . 1 19 19 ALA H H 1 8.555 0.002 . 1 . . . . . 19 ALA H . 50896 1
99 . 1 . 1 19 19 ALA HA H 1 4.064 0.016 . 1 . . . . . 19 ALA HA . 50896 1
100 . 1 . 1 19 19 ALA C C 13 179.275 0.001 . 1 . . . . . 19 ALA C . 50896 1
101 . 1 . 1 19 19 ALA CA C 13 55.097 0.008 . 1 . . . . . 19 ALA CA . 50896 1
102 . 1 . 1 19 19 ALA CB C 13 18.215 0.022 . 1 . . . . . 19 ALA CB . 50896 1
103 . 1 . 1 19 19 ALA N N 15 122.609 0.023 . 1 . . . . . 19 ALA N . 50896 1
104 . 1 . 1 20 20 GLU H H 1 8.229 0.001 . 1 . . . . . 20 GLU H . 50896 1
105 . 1 . 1 20 20 GLU HA H 1 4.094 0.003 . 1 . . . . . 20 GLU HA . 50896 1
106 . 1 . 1 20 20 GLU C C 13 177.612 0.000 . 1 . . . . . 20 GLU C . 50896 1
107 . 1 . 1 20 20 GLU CA C 13 59.168 0.000 . 1 . . . . . 20 GLU CA . 50896 1
108 . 1 . 1 20 20 GLU CB C 13 29.529 0.000 . 1 . . . . . 20 GLU CB . 50896 1
109 . 1 . 1 20 20 GLU N N 15 117.847 0.026 . 1 . . . . . 20 GLU N . 50896 1
110 . 1 . 1 21 21 LYS H H 1 7.841 0.000 . 1 . . . . . 21 LYS H . 50896 1
111 . 1 . 1 21 21 LYS HA H 1 4.222 0.006 . 1 . . . . . 21 LYS HA . 50896 1
112 . 1 . 1 21 21 LYS CA C 13 58.072 0.000 . 1 . . . . . 21 LYS CA . 50896 1
113 . 1 . 1 21 21 LYS CB C 13 32.740 0.060 . 1 . . . . . 21 LYS CB . 50896 1
114 . 1 . 1 21 21 LYS N N 15 118.745 0.021 . 1 . . . . . 21 LYS N . 50896 1
115 . 1 . 1 22 22 THR HA H 1 4.108 0.000 . 1 . . . . . 22 THR HA . 50896 1
116 . 1 . 1 22 22 THR C C 13 174.955 0.000 . 1 . . . . . 22 THR C . 50896 1
117 . 1 . 1 22 22 THR CA C 13 65.464 0.000 . 1 . . . . . 22 THR CA . 50896 1
118 . 1 . 1 22 22 THR CB C 13 68.923 0.000 . 1 . . . . . 22 THR CB . 50896 1
119 . 1 . 1 23 23 LYS H H 1 8.192 0.004 . 1 . . . . . 23 LYS H . 50896 1
120 . 1 . 1 23 23 LYS HA H 1 3.994 0.003 . 1 . . . . . 23 LYS HA . 50896 1
121 . 1 . 1 23 23 LYS C C 13 177.781 0.000 . 1 . . . . . 23 LYS C . 50896 1
122 . 1 . 1 23 23 LYS CA C 13 59.317 0.011 . 1 . . . . . 23 LYS CA . 50896 1
123 . 1 . 1 23 23 LYS CB C 13 32.474 0.047 . 1 . . . . . 23 LYS CB . 50896 1
124 . 1 . 1 23 23 LYS N N 15 121.526 0.051 . 1 . . . . . 23 LYS N . 50896 1
125 . 1 . 1 24 24 GLN H H 1 8.000 0.002 . 1 . . . . . 24 GLN H . 50896 1
126 . 1 . 1 24 24 GLN HA H 1 4.203 0.013 . 1 . . . . . 24 GLN HA . 50896 1
127 . 1 . 1 24 24 GLN C C 13 177.757 0.005 . 1 . . . . . 24 GLN C . 50896 1
128 . 1 . 1 24 24 GLN CA C 13 57.770 0.001 . 1 . . . . . 24 GLN CA . 50896 1
129 . 1 . 1 24 24 GLN CB C 13 28.770 0.027 . 1 . . . . . 24 GLN CB . 50896 1
130 . 1 . 1 24 24 GLN N N 15 117.605 0.041 . 1 . . . . . 24 GLN N . 50896 1
131 . 1 . 1 25 25 GLY H H 1 8.193 0.000 . 1 . . . . . 25 GLY H . 50896 1
132 . 1 . 1 25 25 GLY HA2 H 1 3.972 0.001 . 2 . . . . . 25 GLY HA2 . 50896 1
133 . 1 . 1 25 25 GLY HA3 H 1 3.972 0.001 . 2 . . . . . 25 GLY HA3 . 50896 1
134 . 1 . 1 25 25 GLY C C 13 175.838 0.002 . 1 . . . . . 25 GLY C . 50896 1
135 . 1 . 1 25 25 GLY CA C 13 46.531 0.001 . 1 . . . . . 25 GLY CA . 50896 1
136 . 1 . 1 25 25 GLY N N 15 108.191 0.015 . 1 . . . . . 25 GLY N . 50896 1
137 . 1 . 1 26 26 VAL H H 1 8.207 0.003 . 1 . . . . . 26 VAL H . 50896 1
138 . 1 . 1 26 26 VAL HA H 1 3.837 0.002 . 1 . . . . . 26 VAL HA . 50896 1
139 . 1 . 1 26 26 VAL C C 13 176.946 0.005 . 1 . . . . . 26 VAL C . 50896 1
140 . 1 . 1 26 26 VAL CA C 13 65.358 0.012 . 1 . . . . . 26 VAL CA . 50896 1
141 . 1 . 1 26 26 VAL CB C 13 31.919 0.015 . 1 . . . . . 26 VAL CB . 50896 1
142 . 1 . 1 26 26 VAL N N 15 120.778 0.029 . 1 . . . . . 26 VAL N . 50896 1
143 . 1 . 1 27 27 ALA H H 1 8.087 0.003 . 1 . . . . . 27 ALA H . 50896 1
144 . 1 . 1 27 27 ALA HA H 1 4.139 0.006 . 1 . . . . . 27 ALA HA . 50896 1
145 . 1 . 1 27 27 ALA C C 13 180.076 0.002 . 1 . . . . . 27 ALA C . 50896 1
146 . 1 . 1 27 27 ALA CA C 13 54.798 0.003 . 1 . . . . . 27 ALA CA . 50896 1
147 . 1 . 1 27 27 ALA CB C 13 18.496 0.016 . 1 . . . . . 27 ALA CB . 50896 1
148 . 1 . 1 27 27 ALA N N 15 122.415 0.017 . 1 . . . . . 27 ALA N . 50896 1
149 . 1 . 1 28 28 GLU H H 1 8.066 0.001 . 1 . . . . . 28 GLU H . 50896 1
150 . 1 . 1 28 28 GLU HA H 1 4.148 0.001 . 1 . . . . . 28 GLU HA . 50896 1
151 . 1 . 1 28 28 GLU C C 13 178.046 0.001 . 1 . . . . . 28 GLU C . 50896 1
152 . 1 . 1 28 28 GLU CA C 13 58.120 0.001 . 1 . . . . . 28 GLU CA . 50896 1
153 . 1 . 1 28 28 GLU CB C 13 29.351 0.025 . 1 . . . . . 28 GLU CB . 50896 1
154 . 1 . 1 28 28 GLU N N 15 117.748 0.007 . 1 . . . . . 28 GLU N . 50896 1
155 . 1 . 1 29 29 ALA H H 1 7.938 0.001 . 1 . . . . . 29 ALA H . 50896 1
156 . 1 . 1 29 29 ALA HA H 1 4.236 0.007 . 1 . . . . . 29 ALA HA . 50896 1
157 . 1 . 1 29 29 ALA C C 13 178.965 0.009 . 1 . . . . . 29 ALA C . 50896 1
158 . 1 . 1 29 29 ALA CA C 13 54.116 0.005 . 1 . . . . . 29 ALA CA . 50896 1
159 . 1 . 1 29 29 ALA CB C 13 18.850 0.051 . 1 . . . . . 29 ALA CB . 50896 1
160 . 1 . 1 29 29 ALA N N 15 122.483 0.045 . 1 . . . . . 29 ALA N . 50896 1
161 . 1 . 1 30 30 ALA H H 1 8.316 0.000 . 1 . . . . . 30 ALA H . 50896 1
162 . 1 . 1 30 30 ALA HA H 1 4.162 0.001 . 1 . . . . . 30 ALA HA . 50896 1
163 . 1 . 1 30 30 ALA C C 13 178.985 0.000 . 1 . . . . . 30 ALA C . 50896 1
164 . 1 . 1 30 30 ALA CA C 13 54.394 0.000 . 1 . . . . . 30 ALA CA . 50896 1
165 . 1 . 1 30 30 ALA CB C 13 18.533 0.063 . 1 . . . . . 30 ALA CB . 50896 1
166 . 1 . 1 30 30 ALA N N 15 121.043 0.056 . 1 . . . . . 30 ALA N . 50896 1
167 . 1 . 1 31 31 GLY H H 1 8.083 0.001 . 1 . . . . . 31 GLY H . 50896 1
168 . 1 . 1 31 31 GLY HA2 H 1 3.989 0.002 . 2 . . . . . 31 GLY HA2 . 50896 1
169 . 1 . 1 31 31 GLY HA3 H 1 3.989 0.002 . 2 . . . . . 31 GLY HA3 . 50896 1
170 . 1 . 1 31 31 GLY C C 13 175.112 0.008 . 1 . . . . . 31 GLY C . 50896 1
171 . 1 . 1 31 31 GLY CA C 13 46.268 0.000 . 1 . . . . . 31 GLY CA . 50896 1
172 . 1 . 1 31 31 GLY N N 15 105.946 0.040 . 1 . . . . . 31 GLY N . 50896 1
173 . 1 . 1 32 32 LYS H H 1 7.903 0.002 . 1 . . . . . 32 LYS H . 50896 1
174 . 1 . 1 32 32 LYS HA H 1 4.376 0.000 . 1 . . . . . 32 LYS HA . 50896 1
175 . 1 . 1 32 32 LYS C C 13 177.490 0.002 . 1 . . . . . 32 LYS C . 50896 1
176 . 1 . 1 32 32 LYS CA C 13 56.893 0.011 . 1 . . . . . 32 LYS CA . 50896 1
177 . 1 . 1 32 32 LYS CB C 13 32.892 0.041 . 1 . . . . . 32 LYS CB . 50896 1
178 . 1 . 1 32 32 LYS N N 15 119.795 0.009 . 1 . . . . . 32 LYS N . 50896 1
179 . 1 . 1 33 33 THR H H 1 7.904 0.002 . 1 . . . . . 33 THR H . 50896 1
180 . 1 . 1 33 33 THR HA H 1 4.259 0.000 . 1 . . . . . 33 THR HA . 50896 1
181 . 1 . 1 33 33 THR C C 13 175.282 0.007 . 1 . . . . . 33 THR C . 50896 1
182 . 1 . 1 33 33 THR CA C 13 63.459 0.017 . 1 . . . . . 33 THR CA . 50896 1
183 . 1 . 1 33 33 THR CB C 13 69.661 0.000 . 1 . . . . . 33 THR CB . 50896 1
184 . 1 . 1 33 33 THR N N 15 113.834 0.042 . 1 . . . . . 33 THR N . 50896 1
185 . 1 . 1 34 34 LYS H H 1 8.192 0.000 . 1 . . . . . 34 LYS H . 50896 1
186 . 1 . 1 34 34 LYS HA H 1 4.134 0.001 . 1 . . . . . 34 LYS HA . 50896 1
187 . 1 . 1 34 34 LYS C C 13 177.008 0.000 . 1 . . . . . 34 LYS C . 50896 1
188 . 1 . 1 34 34 LYS CA C 13 58.063 0.014 . 1 . . . . . 34 LYS CA . 50896 1
189 . 1 . 1 34 34 LYS CB C 13 32.605 0.043 . 1 . . . . . 34 LYS CB . 50896 1
190 . 1 . 1 34 34 LYS N N 15 121.969 0.033 . 1 . . . . . 34 LYS N . 50896 1
191 . 1 . 1 35 35 GLU H H 1 8.150 0.001 . 1 . . . . . 35 GLU H . 50896 1
192 . 1 . 1 35 35 GLU HA H 1 4.215 0.000 . 1 . . . . . 35 GLU HA . 50896 1
193 . 1 . 1 35 35 GLU C C 13 177.561 0.000 . 1 . . . . . 35 GLU C . 50896 1
194 . 1 . 1 35 35 GLU CA C 13 57.618 0.001 . 1 . . . . . 35 GLU CA . 50896 1
195 . 1 . 1 35 35 GLU CB C 13 29.840 0.032 . 1 . . . . . 35 GLU CB . 50896 1
196 . 1 . 1 35 35 GLU N N 15 118.570 0.013 . 1 . . . . . 35 GLU N . 50896 1
197 . 1 . 1 36 36 GLY H H 1 8.176 0.002 . 1 . . . . . 36 GLY H . 50896 1
198 . 1 . 1 36 36 GLY HA2 H 1 3.974 0.000 . 2 . . . . . 36 GLY HA2 . 50896 1
199 . 1 . 1 36 36 GLY HA3 H 1 3.974 0.000 . 2 . . . . . 36 GLY HA3 . 50896 1
200 . 1 . 1 36 36 GLY C C 13 174.441 0.003 . 1 . . . . . 36 GLY C . 50896 1
201 . 1 . 1 36 36 GLY CA C 13 46.047 0.000 . 1 . . . . . 36 GLY CA . 50896 1
202 . 1 . 1 36 36 GLY N N 15 108.732 0.035 . 1 . . . . . 36 GLY N . 50896 1
203 . 1 . 1 37 37 VAL H H 1 7.913 0.002 . 1 . . . . . 37 VAL H . 50896 1
204 . 1 . 1 37 37 VAL HA H 1 3.977 0.000 . 1 . . . . . 37 VAL HA . 50896 1
205 . 1 . 1 37 37 VAL C C 13 176.279 0.002 . 1 . . . . . 37 VAL C . 50896 1
206 . 1 . 1 37 37 VAL CA C 13 63.965 0.024 . 1 . . . . . 37 VAL CA . 50896 1
207 . 1 . 1 37 37 VAL CB C 13 32.573 0.031 . 1 . . . . . 37 VAL CB . 50896 1
208 . 1 . 1 37 37 VAL N N 15 118.967 0.007 . 1 . . . . . 37 VAL N . 50896 1
209 . 1 . 1 38 38 LEU H H 1 8.008 0.002 . 1 . . . . . 38 LEU H . 50896 1
210 . 1 . 1 38 38 LEU HA H 1 4.260 0.002 . 1 . . . . . 38 LEU HA . 50896 1
211 . 1 . 1 38 38 LEU C C 13 177.359 0.000 . 1 . . . . . 38 LEU C . 50896 1
212 . 1 . 1 38 38 LEU CA C 13 56.241 0.005 . 1 . . . . . 38 LEU CA . 50896 1
213 . 1 . 1 38 38 LEU CB C 13 42.216 0.010 . 1 . . . . . 38 LEU CB . 50896 1
214 . 1 . 1 38 38 LEU N N 15 121.473 0.040 . 1 . . . . . 38 LEU N . 50896 1
215 . 1 . 1 39 39 TYR H H 1 7.942 0.001 . 1 . . . . . 39 TYR H . 50896 1
216 . 1 . 1 39 39 TYR HA H 1 4.550 0.007 . 1 . . . . . 39 TYR HA . 50896 1
217 . 1 . 1 39 39 TYR C C 13 176.374 0.000 . 1 . . . . . 39 TYR C . 50896 1
218 . 1 . 1 39 39 TYR CA C 13 59.240 0.015 . 1 . . . . . 39 TYR CA . 50896 1
219 . 1 . 1 39 39 TYR CB C 13 38.869 0.003 . 1 . . . . . 39 TYR CB . 50896 1
220 . 1 . 1 39 39 TYR N N 15 120.182 0.007 . 1 . . . . . 39 TYR N . 50896 1
221 . 1 . 1 40 40 VAL H H 1 7.962 0.000 . 1 . . . . . 40 VAL H . 50896 1
222 . 1 . 1 40 40 VAL HA H 1 3.905 0.002 . 1 . . . . . 40 VAL HA . 50896 1
223 . 1 . 1 40 40 VAL C C 13 177.062 0.000 . 1 . . . . . 40 VAL C . 50896 1
224 . 1 . 1 40 40 VAL CA C 13 63.737 0.017 . 1 . . . . . 40 VAL CA . 50896 1
225 . 1 . 1 40 40 VAL CB C 13 32.289 0.032 . 1 . . . . . 40 VAL CB . 50896 1
226 . 1 . 1 40 40 VAL N N 15 119.927 0.045 . 1 . . . . . 40 VAL N . 50896 1
227 . 1 . 1 41 41 GLY H H 1 8.193 0.002 . 1 . . . . . 41 GLY H . 50896 1
228 . 1 . 1 41 41 GLY HA2 H 1 3.932 0.003 . 2 . . . . . 41 GLY HA2 . 50896 1
229 . 1 . 1 41 41 GLY HA3 H 1 3.932 0.003 . 2 . . . . . 41 GLY HA3 . 50896 1
230 . 1 . 1 41 41 GLY C C 13 174.767 0.000 . 1 . . . . . 41 GLY C . 50896 1
231 . 1 . 1 41 41 GLY CA C 13 46.125 0.009 . 1 . . . . . 41 GLY CA . 50896 1
232 . 1 . 1 41 41 GLY N N 15 109.978 0.033 . 1 . . . . . 41 GLY N . 50896 1
233 . 1 . 1 42 42 SER H H 1 8.144 0.001 . 1 . . . . . 42 SER H . 50896 1
234 . 1 . 1 42 42 SER HA H 1 4.325 0.001 . 1 . . . . . 42 SER HA . 50896 1
235 . 1 . 1 42 42 SER C C 13 175.627 0.000 . 1 . . . . . 42 SER C . 50896 1
236 . 1 . 1 42 42 SER CA C 13 60.227 0.001 . 1 . . . . . 42 SER CA . 50896 1
237 . 1 . 1 42 42 SER CB C 13 63.606 0.011 . 1 . . . . . 42 SER CB . 50896 1
238 . 1 . 1 42 42 SER N N 15 115.739 0.020 . 1 . . . . . 42 SER N . 50896 1
239 . 1 . 1 43 43 LYS H H 1 8.094 0.002 . 1 . . . . . 43 LYS H . 50896 1
240 . 1 . 1 43 43 LYS HA H 1 4.343 0.000 . 1 . . . . . 43 LYS HA . 50896 1
241 . 1 . 1 43 43 LYS C C 13 177.627 0.010 . 1 . . . . . 43 LYS C . 50896 1
242 . 1 . 1 43 43 LYS CA C 13 56.910 0.002 . 1 . . . . . 43 LYS CA . 50896 1
243 . 1 . 1 43 43 LYS CB C 13 32.327 0.051 . 1 . . . . . 43 LYS CB . 50896 1
244 . 1 . 1 43 43 LYS N N 15 121.158 0.042 . 1 . . . . . 43 LYS N . 50896 1
245 . 1 . 1 44 44 THR H H 1 7.806 0.001 . 1 . . . . . 44 THR H . 50896 1
246 . 1 . 1 44 44 THR HA H 1 4.284 0.000 . 1 . . . . . 44 THR HA . 50896 1
247 . 1 . 1 44 44 THR C C 13 175.281 0.012 . 1 . . . . . 44 THR C . 50896 1
248 . 1 . 1 44 44 THR CA C 13 63.335 0.066 . 1 . . . . . 44 THR CA . 50896 1
249 . 1 . 1 44 44 THR CB C 13 69.544 0.059 . 1 . . . . . 44 THR CB . 50896 1
250 . 1 . 1 44 44 THR N N 15 113.500 0.018 . 1 . . . . . 44 THR N . 50896 1
251 . 1 . 1 45 45 LYS H H 1 8.140 0.003 . 1 . . . . . 45 LYS H . 50896 1
252 . 1 . 1 45 45 LYS HA H 1 4.031 0.001 . 1 . . . . . 45 LYS HA . 50896 1
253 . 1 . 1 45 45 LYS C C 13 177.148 0.000 . 1 . . . . . 45 LYS C . 50896 1
254 . 1 . 1 45 45 LYS CA C 13 59.015 0.006 . 1 . . . . . 45 LYS CA . 50896 1
255 . 1 . 1 45 45 LYS CB C 13 32.355 0.067 . 1 . . . . . 45 LYS CB . 50896 1
256 . 1 . 1 45 45 LYS N N 15 121.592 0.014 . 1 . . . . . 45 LYS N . 50896 1
257 . 1 . 1 46 46 GLU H H 1 8.233 0.001 . 1 . . . . . 46 GLU H . 50896 1
258 . 1 . 1 46 46 GLU HA H 1 4.130 0.010 . 1 . . . . . 46 GLU HA . 50896 1
259 . 1 . 1 46 46 GLU C C 13 177.982 0.000 . 1 . . . . . 46 GLU C . 50896 1
260 . 1 . 1 46 46 GLU CA C 13 58.193 0.024 . 1 . . . . . 46 GLU CA . 50896 1
261 . 1 . 1 46 46 GLU CB C 13 29.695 0.054 . 1 . . . . . 46 GLU CB . 50896 1
262 . 1 . 1 46 46 GLU N N 15 117.986 0.030 . 1 . . . . . 46 GLU N . 50896 1
263 . 1 . 1 47 47 GLY H H 1 8.113 0.001 . 1 . . . . . 47 GLY H . 50896 1
264 . 1 . 1 47 47 GLY HA2 H 1 3.995 0.002 . 2 . . . . . 47 GLY HA2 . 50896 1
265 . 1 . 1 47 47 GLY HA3 H 1 3.995 0.002 . 2 . . . . . 47 GLY HA3 . 50896 1
266 . 1 . 1 47 47 GLY C C 13 175.904 0.000 . 1 . . . . . 47 GLY C . 50896 1
267 . 1 . 1 47 47 GLY CA C 13 46.384 0.001 . 1 . . . . . 47 GLY CA . 50896 1
268 . 1 . 1 47 47 GLY N N 15 108.239 0.030 . 1 . . . . . 47 GLY N . 50896 1
269 . 1 . 1 48 48 VAL H H 1 8.131 0.002 . 1 . . . . . 48 VAL H . 50896 1
270 . 1 . 1 48 48 VAL HA H 1 3.877 0.005 . 1 . . . . . 48 VAL HA . 50896 1
271 . 1 . 1 48 48 VAL C C 13 176.994 0.000 . 1 . . . . . 48 VAL C . 50896 1
272 . 1 . 1 48 48 VAL CA C 13 65.698 0.014 . 1 . . . . . 48 VAL CA . 50896 1
273 . 1 . 1 48 48 VAL CB C 13 31.964 0.018 . 1 . . . . . 48 VAL CB . 50896 1
274 . 1 . 1 48 48 VAL N N 15 121.329 0.065 . 1 . . . . . 48 VAL N . 50896 1
275 . 1 . 1 49 49 VAL H H 1 8.098 0.002 . 1 . . . . . 49 VAL H . 50896 1
276 . 1 . 1 49 49 VAL HA H 1 3.698 0.001 . 1 . . . . . 49 VAL HA . 50896 1
277 . 1 . 1 49 49 VAL C C 13 177.403 0.000 . 1 . . . . . 49 VAL C . 50896 1
278 . 1 . 1 49 49 VAL CA C 13 66.079 0.010 . 1 . . . . . 49 VAL CA . 50896 1
279 . 1 . 1 49 49 VAL CB C 13 31.614 0.025 . 1 . . . . . 49 VAL CB . 50896 1
280 . 1 . 1 49 49 VAL N N 15 119.215 0.030 . 1 . . . . . 49 VAL N . 50896 1
281 . 1 . 1 50 50 HIS H H 1 8.177 0.001 . 1 . . . . . 50 HIS H . 50896 1
282 . 1 . 1 50 50 HIS HA H 1 4.523 0.001 . 1 . . . . . 50 HIS HA . 50896 1
283 . 1 . 1 50 50 HIS C C 13 177.928 0.000 . 1 . . . . . 50 HIS C . 50896 1
284 . 1 . 1 50 50 HIS CA C 13 58.035 0.007 . 1 . . . . . 50 HIS CA . 50896 1
285 . 1 . 1 50 50 HIS CB C 13 28.463 0.019 . 1 . . . . . 50 HIS CB . 50896 1
286 . 1 . 1 50 50 HIS N N 15 117.358 0.008 . 1 . . . . . 50 HIS N . 50896 1
287 . 1 . 1 51 51 GLY H H 1 8.353 0.002 . 1 . . . . . 51 GLY H . 50896 1
288 . 1 . 1 51 51 GLY HA2 H 1 3.942 0.003 . 2 . . . . . 51 GLY HA2 . 50896 1
289 . 1 . 1 51 51 GLY HA3 H 1 3.942 0.003 . 2 . . . . . 51 GLY HA3 . 50896 1
290 . 1 . 1 51 51 GLY C C 13 175.163 0.005 . 1 . . . . . 51 GLY C . 50896 1
291 . 1 . 1 51 51 GLY CA C 13 47.227 0.001 . 1 . . . . . 51 GLY CA . 50896 1
292 . 1 . 1 51 51 GLY N N 15 109.412 0.014 . 1 . . . . . 51 GLY N . 50896 1
293 . 1 . 1 52 52 VAL H H 1 8.356 0.001 . 1 . . . . . 52 VAL H . 50896 1
294 . 1 . 1 52 52 VAL HA H 1 3.705 0.000 . 1 . . . . . 52 VAL HA . 50896 1
295 . 1 . 1 52 52 VAL C C 13 176.918 0.000 . 1 . . . . . 52 VAL C . 50896 1
296 . 1 . 1 52 52 VAL CA C 13 66.030 0.001 . 1 . . . . . 52 VAL CA . 50896 1
297 . 1 . 1 52 52 VAL CB C 13 31.573 0.046 . 1 . . . . . 52 VAL CB . 50896 1
298 . 1 . 1 52 52 VAL N N 15 120.812 0.014 . 1 . . . . . 52 VAL N . 50896 1
299 . 1 . 1 53 53 ALA H H 1 8.116 0.001 . 1 . . . . . 53 ALA H . 50896 1
300 . 1 . 1 53 53 ALA HA H 1 4.115 0.002 . 1 . . . . . 53 ALA HA . 50896 1
301 . 1 . 1 53 53 ALA C C 13 179.931 0.000 . 1 . . . . . 53 ALA C . 50896 1
302 . 1 . 1 53 53 ALA CA C 13 55.125 0.008 . 1 . . . . . 53 ALA CA . 50896 1
303 . 1 . 1 53 53 ALA CB C 13 18.278 0.059 . 1 . . . . . 53 ALA CB . 50896 1
304 . 1 . 1 53 53 ALA N N 15 121.601 0.015 . 1 . . . . . 53 ALA N . 50896 1
305 . 1 . 1 54 54 THR H H 1 7.876 0.001 . 1 . . . . . 54 THR H . 50896 1
306 . 1 . 1 54 54 THR HA H 1 4.063 0.002 . 1 . . . . . 54 THR HA . 50896 1
307 . 1 . 1 54 54 THR C C 13 176.196 0.000 . 1 . . . . . 54 THR C . 50896 1
308 . 1 . 1 54 54 THR CA C 13 65.734 0.006 . 1 . . . . . 54 THR CA . 50896 1
309 . 1 . 1 54 54 THR CB C 13 68.960 0.058 . 1 . . . . . 54 THR CB . 50896 1
310 . 1 . 1 54 54 THR N N 15 113.501 0.016 . 1 . . . . . 54 THR N . 50896 1
311 . 1 . 1 55 55 VAL H H 1 7.869 0.003 . 1 . . . . . 55 VAL H . 50896 1
312 . 1 . 1 55 55 VAL HA H 1 3.788 0.003 . 1 . . . . . 55 VAL HA . 50896 1
313 . 1 . 1 55 55 VAL C C 13 178.237 0.017 . 1 . . . . . 55 VAL C . 50896 1
314 . 1 . 1 55 55 VAL CA C 13 65.785 0.010 . 1 . . . . . 55 VAL CA . 50896 1
315 . 1 . 1 55 55 VAL CB C 13 31.827 0.071 . 1 . . . . . 55 VAL CB . 50896 1
316 . 1 . 1 55 55 VAL N N 15 121.208 0.000 . 1 . . . . . 55 VAL N . 50896 1
317 . 1 . 1 56 56 ALA H H 1 8.607 0.001 . 1 . . . . . 56 ALA H . 50896 1
318 . 1 . 1 56 56 ALA HA H 1 4.061 0.002 . 1 . . . . . 56 ALA HA . 50896 1
319 . 1 . 1 56 56 ALA C C 13 178.816 0.000 . 1 . . . . . 56 ALA C . 50896 1
320 . 1 . 1 56 56 ALA CA C 13 55.108 0.017 . 1 . . . . . 56 ALA CA . 50896 1
321 . 1 . 1 56 56 ALA CB C 13 18.461 0.006 . 1 . . . . . 56 ALA CB . 50896 1
322 . 1 . 1 56 56 ALA N N 15 124.583 0.031 . 1 . . . . . 56 ALA N . 50896 1
323 . 1 . 1 57 57 GLU H H 1 8.046 0.000 . 1 . . . . . 57 GLU H . 50896 1
324 . 1 . 1 57 57 GLU HA H 1 4.132 0.012 . 1 . . . . . 57 GLU HA . 50896 1
325 . 1 . 1 57 57 GLU C C 13 178.757 0.000 . 1 . . . . . 57 GLU C . 50896 1
326 . 1 . 1 57 57 GLU CA C 13 59.187 0.049 . 1 . . . . . 57 GLU CA . 50896 1
327 . 1 . 1 57 57 GLU CB C 13 29.330 0.060 . 1 . . . . . 57 GLU CB . 50896 1
328 . 1 . 1 57 57 GLU N N 15 117.608 0.079 . 1 . . . . . 57 GLU N . 50896 1
329 . 1 . 1 58 58 LYS H H 1 7.934 0.001 . 1 . . . . . 58 LYS H . 50896 1
330 . 1 . 1 58 58 LYS HA H 1 4.224 0.000 . 1 . . . . . 58 LYS HA . 50896 1
331 . 1 . 1 58 58 LYS C C 13 178.806 0.000 . 1 . . . . . 58 LYS C . 50896 1
332 . 1 . 1 58 58 LYS CA C 13 58.493 0.015 . 1 . . . . . 58 LYS CA . 50896 1
333 . 1 . 1 58 58 LYS CB C 13 32.748 0.048 . 1 . . . . . 58 LYS CB . 50896 1
334 . 1 . 1 58 58 LYS N N 15 118.645 0.061 . 1 . . . . . 58 LYS N . 50896 1
335 . 1 . 1 59 59 THR H H 1 7.998 0.000 . 1 . . . . . 59 THR H . 50896 1
336 . 1 . 1 59 59 THR HA H 1 4.155 0.009 . 1 . . . . . 59 THR HA . 50896 1
337 . 1 . 1 59 59 THR C C 13 175.895 0.000 . 1 . . . . . 59 THR C . 50896 1
338 . 1 . 1 59 59 THR CA C 13 65.273 0.043 . 1 . . . . . 59 THR CA . 50896 1
339 . 1 . 1 59 59 THR CB C 13 69.079 0.070 . 1 . . . . . 59 THR CB . 50896 1
340 . 1 . 1 59 59 THR N N 15 114.995 0.054 . 1 . . . . . 59 THR N . 50896 1
341 . 1 . 1 60 60 LYS H H 1 7.998 0.001 . 1 . . . . . 60 LYS H . 50896 1
342 . 1 . 1 60 60 LYS HA H 1 3.995 0.025 . 1 . . . . . 60 LYS HA . 50896 1
343 . 1 . 1 60 60 LYS C C 13 178.140 0.000 . 1 . . . . . 60 LYS C . 50896 1
344 . 1 . 1 60 60 LYS CA C 13 59.852 0.006 . 1 . . . . . 60 LYS CA . 50896 1
345 . 1 . 1 60 60 LYS CB C 13 32.542 0.061 . 1 . . . . . 60 LYS CB . 50896 1
346 . 1 . 1 60 60 LYS N N 15 121.625 0.048 . 1 . . . . . 60 LYS N . 50896 1
347 . 1 . 1 61 61 GLU H H 1 8.047 0.001 . 1 . . . . . 61 GLU H . 50896 1
348 . 1 . 1 61 61 GLU HA H 1 4.126 0.005 . 1 . . . . . 61 GLU HA . 50896 1
349 . 1 . 1 61 61 GLU C C 13 177.754 0.000 . 1 . . . . . 61 GLU C . 50896 1
350 . 1 . 1 61 61 GLU CA C 13 58.505 0.012 . 1 . . . . . 61 GLU CA . 50896 1
351 . 1 . 1 61 61 GLU CB C 13 29.542 0.035 . 1 . . . . . 61 GLU CB . 50896 1
352 . 1 . 1 61 61 GLU N N 15 117.987 0.030 . 1 . . . . . 61 GLU N . 50896 1
353 . 1 . 1 62 62 GLN H H 1 7.967 0.000 . 1 . . . . . 62 GLN H . 50896 1
354 . 1 . 1 62 62 GLN HA H 1 4.349 0.002 . 1 . . . . . 62 GLN HA . 50896 1
355 . 1 . 1 62 62 GLN C C 13 177.728 0.000 . 1 . . . . . 62 GLN C . 50896 1
356 . 1 . 1 62 62 GLN CA C 13 57.782 0.000 . 1 . . . . . 62 GLN CA . 50896 1
357 . 1 . 1 62 62 GLN CB C 13 29.325 0.009 . 1 . . . . . 62 GLN CB . 50896 1
358 . 1 . 1 62 62 GLN N N 15 117.654 0.087 . 1 . . . . . 62 GLN N . 50896 1
359 . 1 . 1 63 63 VAL H H 1 8.170 0.001 . 1 . . . . . 63 VAL H . 50896 1
360 . 1 . 1 63 63 VAL HA H 1 3.904 0.006 . 1 . . . . . 63 VAL HA . 50896 1
361 . 1 . 1 63 63 VAL C C 13 176.995 0.010 . 1 . . . . . 63 VAL C . 50896 1
362 . 1 . 1 63 63 VAL CA C 13 64.993 0.001 . 1 . . . . . 63 VAL CA . 50896 1
363 . 1 . 1 63 63 VAL CB C 13 31.910 0.021 . 1 . . . . . 63 VAL CB . 50896 1
364 . 1 . 1 63 63 VAL N N 15 118.121 0.034 . 1 . . . . . 63 VAL N . 50896 1
365 . 1 . 1 64 64 THR H H 1 7.954 0.000 . 1 . . . . . 64 THR H . 50896 1
366 . 1 . 1 64 64 THR HA H 1 4.173 0.003 . 1 . . . . . 64 THR HA . 50896 1
367 . 1 . 1 64 64 THR C C 13 175.648 0.017 . 1 . . . . . 64 THR C . 50896 1
368 . 1 . 1 64 64 THR CA C 13 64.315 0.001 . 1 . . . . . 64 THR CA . 50896 1
369 . 1 . 1 64 64 THR CB C 13 69.220 0.039 . 1 . . . . . 64 THR CB . 50896 1
370 . 1 . 1 64 64 THR N N 15 113.388 0.073 . 1 . . . . . 64 THR N . 50896 1
371 . 1 . 1 65 65 ASN H H 1 8.058 0.001 . 1 . . . . . 65 ASN H . 50896 1
372 . 1 . 1 65 65 ASN HA H 1 4.724 0.003 . 1 . . . . . 65 ASN HA . 50896 1
373 . 1 . 1 65 65 ASN C C 13 176.391 0.004 . 1 . . . . . 65 ASN C . 50896 1
374 . 1 . 1 65 65 ASN CA C 13 54.853 0.002 . 1 . . . . . 65 ASN CA . 50896 1
375 . 1 . 1 65 65 ASN CB C 13 38.937 0.023 . 1 . . . . . 65 ASN CB . 50896 1
376 . 1 . 1 65 65 ASN N N 15 119.986 0.007 . 1 . . . . . 65 ASN N . 50896 1
377 . 1 . 1 66 66 VAL H H 1 8.021 0.001 . 1 . . . . . 66 VAL H . 50896 1
378 . 1 . 1 66 66 VAL HA H 1 4.086 0.000 . 1 . . . . . 66 VAL HA . 50896 1
379 . 1 . 1 66 66 VAL C C 13 176.982 0.000 . 1 . . . . . 66 VAL C . 50896 1
380 . 1 . 1 66 66 VAL CA C 13 64.102 0.005 . 1 . . . . . 66 VAL CA . 50896 1
381 . 1 . 1 66 66 VAL CB C 13 32.299 0.035 . 1 . . . . . 66 VAL CB . 50896 1
382 . 1 . 1 66 66 VAL N N 15 118.376 0.015 . 1 . . . . . 66 VAL N . 50896 1
383 . 1 . 1 67 67 GLY H H 1 8.347 0.001 . 1 . . . . . 67 GLY H . 50896 1
384 . 1 . 1 67 67 GLY HA2 H 1 3.958 0.000 . 2 . . . . . 67 GLY HA2 . 50896 1
385 . 1 . 1 67 67 GLY HA3 H 1 3.789 0.000 . 2 . . . . . 67 GLY HA3 . 50896 1
386 . 1 . 1 67 67 GLY C C 13 175.135 0.004 . 1 . . . . . 67 GLY C . 50896 1
387 . 1 . 1 67 67 GLY CA C 13 46.981 0.001 . 1 . . . . . 67 GLY CA . 50896 1
388 . 1 . 1 67 67 GLY N N 15 108.772 0.042 . 1 . . . . . 67 GLY N . 50896 1
389 . 1 . 1 68 68 GLY H H 1 8.187 0.000 . 1 . . . . . 68 GLY H . 50896 1
390 . 1 . 1 68 68 GLY HA2 H 1 3.975 0.000 . 2 . . . . . 68 GLY HA2 . 50896 1
391 . 1 . 1 68 68 GLY HA3 H 1 3.975 0.000 . 2 . . . . . 68 GLY HA3 . 50896 1
392 . 1 . 1 68 68 GLY C C 13 175.673 0.012 . 1 . . . . . 68 GLY C . 50896 1
393 . 1 . 1 68 68 GLY CA C 13 46.684 0.008 . 1 . . . . . 68 GLY CA . 50896 1
394 . 1 . 1 68 68 GLY N N 15 107.843 0.046 . 1 . . . . . 68 GLY N . 50896 1
395 . 1 . 1 69 69 ALA H H 1 7.998 0.002 . 1 . . . . . 69 ALA H . 50896 1
396 . 1 . 1 69 69 ALA HA H 1 4.276 0.003 . 1 . . . . . 69 ALA HA . 50896 1
397 . 1 . 1 69 69 ALA C C 13 179.924 0.003 . 1 . . . . . 69 ALA C . 50896 1
398 . 1 . 1 69 69 ALA CA C 13 54.532 0.002 . 1 . . . . . 69 ALA CA . 50896 1
399 . 1 . 1 69 69 ALA CB C 13 18.690 0.042 . 1 . . . . . 69 ALA CB . 50896 1
400 . 1 . 1 69 69 ALA N N 15 124.279 0.030 . 1 . . . . . 69 ALA N . 50896 1
401 . 1 . 1 70 70 VAL H H 1 8.067 0.003 . 1 . . . . . 70 VAL H . 50896 1
402 . 1 . 1 70 70 VAL HA H 1 3.783 0.004 . 1 . . . . . 70 VAL HA . 50896 1
403 . 1 . 1 70 70 VAL C C 13 177.350 0.011 . 1 . . . . . 70 VAL C . 50896 1
404 . 1 . 1 70 70 VAL CA C 13 66.064 0.013 . 1 . . . . . 70 VAL CA . 50896 1
405 . 1 . 1 70 70 VAL CB C 13 31.656 0.014 . 1 . . . . . 70 VAL CB . 50896 1
406 . 1 . 1 70 70 VAL N N 15 118.192 0.020 . 1 . . . . . 70 VAL N . 50896 1
407 . 1 . 1 71 71 VAL H H 1 8.043 0.000 . 1 . . . . . 71 VAL H . 50896 1
408 . 1 . 1 71 71 VAL HA H 1 3.651 0.003 . 1 . . . . . 71 VAL HA . 50896 1
409 . 1 . 1 71 71 VAL C C 13 178.709 0.008 . 1 . . . . . 71 VAL C . 50896 1
410 . 1 . 1 71 71 VAL CA C 13 66.715 0.003 . 1 . . . . . 71 VAL CA . 50896 1
411 . 1 . 1 71 71 VAL CB C 13 31.719 0.041 . 1 . . . . . 71 VAL CB . 50896 1
412 . 1 . 1 71 71 VAL N N 15 118.769 0.002 . 1 . . . . . 71 VAL N . 50896 1
413 . 1 . 1 72 72 THR H H 1 8.180 0.001 . 1 . . . . . 72 THR H . 50896 1
414 . 1 . 1 72 72 THR HA H 1 4.014 0.004 . 1 . . . . . 72 THR HA . 50896 1
415 . 1 . 1 72 72 THR C C 13 176.605 0.000 . 1 . . . . . 72 THR C . 50896 1
416 . 1 . 1 72 72 THR CA C 13 65.948 0.016 . 1 . . . . . 72 THR CA . 50896 1
417 . 1 . 1 72 72 THR CB C 13 68.795 0.039 . 1 . . . . . 72 THR CB . 50896 1
418 . 1 . 1 72 72 THR N N 15 116.334 0.004 . 1 . . . . . 72 THR N . 50896 1
419 . 1 . 1 73 73 GLY H H 1 8.199 0.002 . 1 . . . . . 73 GLY H . 50896 1
420 . 1 . 1 73 73 GLY HA2 H 1 3.978 0.007 . 2 . . . . . 73 GLY HA2 . 50896 1
421 . 1 . 1 73 73 GLY HA3 H 1 3.817 0.003 . 2 . . . . . 73 GLY HA3 . 50896 1
422 . 1 . 1 73 73 GLY C C 13 175.308 0.000 . 1 . . . . . 73 GLY C . 50896 1
423 . 1 . 1 73 73 GLY CA C 13 47.288 0.001 . 1 . . . . . 73 GLY CA . 50896 1
424 . 1 . 1 73 73 GLY N N 15 110.242 0.008 . 1 . . . . . 73 GLY N . 50896 1
425 . 1 . 1 74 74 VAL H H 1 8.552 0.001 . 1 . . . . . 74 VAL H . 50896 1
426 . 1 . 1 74 74 VAL HA H 1 3.767 0.005 . 1 . . . . . 74 VAL HA . 50896 1
427 . 1 . 1 74 74 VAL C C 13 177.573 0.001 . 1 . . . . . 74 VAL C . 50896 1
428 . 1 . 1 74 74 VAL CA C 13 66.170 0.007 . 1 . . . . . 74 VAL CA . 50896 1
429 . 1 . 1 74 74 VAL CB C 13 31.632 0.013 . 1 . . . . . 74 VAL CB . 50896 1
430 . 1 . 1 74 74 VAL N N 15 120.233 0.042 . 1 . . . . . 74 VAL N . 50896 1
431 . 1 . 1 75 75 THR H H 1 8.109 0.000 . 1 . . . . . 75 THR H . 50896 1
432 . 1 . 1 75 75 THR HA H 1 3.890 0.003 . 1 . . . . . 75 THR HA . 50896 1
433 . 1 . 1 75 75 THR C C 13 176.057 0.000 . 1 . . . . . 75 THR C . 50896 1
434 . 1 . 1 75 75 THR CA C 13 66.506 0.006 . 1 . . . . . 75 THR CA . 50896 1
435 . 1 . 1 75 75 THR CB C 13 68.775 0.052 . 1 . . . . . 75 THR CB . 50896 1
436 . 1 . 1 75 75 THR N N 15 113.792 0.043 . 1 . . . . . 75 THR N . 50896 1
437 . 1 . 1 76 76 ALA H H 1 7.771 0.001 . 1 . . . . . 76 ALA H . 50896 1
438 . 1 . 1 76 76 ALA HA H 1 4.233 0.017 . 1 . . . . . 76 ALA HA . 50896 1
439 . 1 . 1 76 76 ALA C C 13 180.520 0.003 . 1 . . . . . 76 ALA C . 50896 1
440 . 1 . 1 76 76 ALA CA C 13 55.081 0.002 . 1 . . . . . 76 ALA CA . 50896 1
441 . 1 . 1 76 76 ALA CB C 13 18.286 0.067 . 1 . . . . . 76 ALA CB . 50896 1
442 . 1 . 1 76 76 ALA N N 15 123.389 0.042 . 1 . . . . . 76 ALA N . 50896 1
443 . 1 . 1 77 77 VAL H H 1 7.750 0.002 . 1 . . . . . 77 VAL H . 50896 1
444 . 1 . 1 77 77 VAL HA H 1 3.836 0.002 . 1 . . . . . 77 VAL HA . 50896 1
445 . 1 . 1 77 77 VAL C C 13 178.593 0.000 . 1 . . . . . 77 VAL C . 50896 1
446 . 1 . 1 77 77 VAL CA C 13 65.543 0.004 . 1 . . . . . 77 VAL CA . 50896 1
447 . 1 . 1 77 77 VAL CB C 13 31.975 0.029 . 1 . . . . . 77 VAL CB . 50896 1
448 . 1 . 1 77 77 VAL N N 15 117.160 0.014 . 1 . . . . . 77 VAL N . 50896 1
449 . 1 . 1 78 78 ALA H H 1 8.524 0.002 . 1 . . . . . 78 ALA H . 50896 1
450 . 1 . 1 78 78 ALA HA H 1 4.067 0.007 . 1 . . . . . 78 ALA HA . 50896 1
451 . 1 . 1 78 78 ALA C C 13 178.882 0.001 . 1 . . . . . 78 ALA C . 50896 1
452 . 1 . 1 78 78 ALA CA C 13 55.307 0.002 . 1 . . . . . 78 ALA CA . 50896 1
453 . 1 . 1 78 78 ALA CB C 13 18.509 0.023 . 1 . . . . . 78 ALA CB . 50896 1
454 . 1 . 1 78 78 ALA N N 15 124.271 0.022 . 1 . . . . . 78 ALA N . 50896 1
455 . 1 . 1 79 79 GLN H H 1 8.206 0.002 . 1 . . . . . 79 GLN H . 50896 1
456 . 1 . 1 79 79 GLN HA H 1 4.059 0.003 . 1 . . . . . 79 GLN HA . 50896 1
457 . 1 . 1 79 79 GLN C C 13 177.874 0.007 . 1 . . . . . 79 GLN C . 50896 1
458 . 1 . 1 79 79 GLN CA C 13 58.644 0.011 . 1 . . . . . 79 GLN CA . 50896 1
459 . 1 . 1 79 79 GLN CB C 13 28.602 0.007 . 1 . . . . . 79 GLN CB . 50896 1
460 . 1 . 1 79 79 GLN N N 15 115.742 0.022 . 1 . . . . . 79 GLN N . 50896 1
461 . 1 . 1 80 80 LYS H H 1 7.814 0.001 . 1 . . . . . 80 LYS H . 50896 1
462 . 1 . 1 80 80 LYS HA H 1 4.227 0.006 . 1 . . . . . 80 LYS HA . 50896 1
463 . 1 . 1 80 80 LYS CA C 13 58.078 0.003 . 1 . . . . . 80 LYS CA . 50896 1
464 . 1 . 1 80 80 LYS CB C 13 32.762 0.062 . 1 . . . . . 80 LYS CB . 50896 1
465 . 1 . 1 80 80 LYS N N 15 118.003 0.038 . 1 . . . . . 80 LYS N . 50896 1
466 . 1 . 1 81 81 THR HA H 1 4.230 0.000 . 1 . . . . . 81 THR HA . 50896 1
467 . 1 . 1 81 81 THR C C 13 175.743 0.000 . 1 . . . . . 81 THR C . 50896 1
468 . 1 . 1 81 81 THR CA C 13 64.505 0.000 . 1 . . . . . 81 THR CA . 50896 1
469 . 1 . 1 81 81 THR CB C 13 69.246 0.000 . 1 . . . . . 81 THR CB . 50896 1
470 . 1 . 1 82 82 VAL H H 1 7.989 0.001 . 1 . . . . . 82 VAL H . 50896 1
471 . 1 . 1 82 82 VAL HA H 1 3.920 0.005 . 1 . . . . . 82 VAL HA . 50896 1
472 . 1 . 1 82 82 VAL C C 13 177.263 0.000 . 1 . . . . . 82 VAL C . 50896 1
473 . 1 . 1 82 82 VAL CA C 13 64.644 0.009 . 1 . . . . . 82 VAL CA . 50896 1
474 . 1 . 1 82 82 VAL CB C 13 32.190 0.028 . 1 . . . . . 82 VAL CB . 50896 1
475 . 1 . 1 82 82 VAL N N 15 120.185 0.008 . 1 . . . . . 82 VAL N . 50896 1
476 . 1 . 1 83 83 GLU H H 1 8.057 0.003 . 1 . . . . . 83 GLU H . 50896 1
477 . 1 . 1 83 83 GLU HA H 1 4.193 0.002 . 1 . . . . . 83 GLU HA . 50896 1
478 . 1 . 1 83 83 GLU C C 13 178.020 0.004 . 1 . . . . . 83 GLU C . 50896 1
479 . 1 . 1 83 83 GLU CA C 13 58.170 0.002 . 1 . . . . . 83 GLU CA . 50896 1
480 . 1 . 1 83 83 GLU CB C 13 29.625 0.014 . 1 . . . . . 83 GLU CB . 50896 1
481 . 1 . 1 83 83 GLU N N 15 120.816 0.016 . 1 . . . . . 83 GLU N . 50896 1
482 . 1 . 1 84 84 GLY H H 1 8.089 0.002 . 1 . . . . . 84 GLY H . 50896 1
483 . 1 . 1 84 84 GLY HA2 H 1 3.976 0.001 . 2 . . . . . 84 GLY HA2 . 50896 1
484 . 1 . 1 84 84 GLY HA3 H 1 3.976 0.001 . 2 . . . . . 84 GLY HA3 . 50896 1
485 . 1 . 1 84 84 GLY C C 13 174.698 0.004 . 1 . . . . . 84 GLY C . 50896 1
486 . 1 . 1 84 84 GLY CA C 13 45.983 0.001 . 1 . . . . . 84 GLY CA . 50896 1
487 . 1 . 1 84 84 GLY N N 15 107.911 0.067 . 1 . . . . . 84 GLY N . 50896 1
488 . 1 . 1 85 85 ALA H H 1 8.129 0.002 . 1 . . . . . 85 ALA H . 50896 1
489 . 1 . 1 85 85 ALA HA H 1 4.287 0.004 . 1 . . . . . 85 ALA HA . 50896 1
490 . 1 . 1 85 85 ALA C C 13 178.449 0.004 . 1 . . . . . 85 ALA C . 50896 1
491 . 1 . 1 85 85 ALA CA C 13 53.573 0.000 . 1 . . . . . 85 ALA CA . 50896 1
492 . 1 . 1 85 85 ALA CB C 13 19.094 0.038 . 1 . . . . . 85 ALA CB . 50896 1
493 . 1 . 1 85 85 ALA N N 15 123.435 0.017 . 1 . . . . . 85 ALA N . 50896 1
494 . 1 . 1 86 86 GLY H H 1 8.332 0.001 . 1 . . . . . 86 GLY H . 50896 1
495 . 1 . 1 86 86 GLY HA2 H 1 4.069 0.012 . 2 . . . . . 86 GLY HA2 . 50896 1
496 . 1 . 1 86 86 GLY HA3 H 1 3.935 0.009 . 2 . . . . . 86 GLY HA3 . 50896 1
497 . 1 . 1 86 86 GLY C C 13 174.986 0.001 . 1 . . . . . 86 GLY C . 50896 1
498 . 1 . 1 86 86 GLY CA C 13 46.088 0.000 . 1 . . . . . 86 GLY CA . 50896 1
499 . 1 . 1 86 86 GLY N N 15 106.526 0.025 . 1 . . . . . 86 GLY N . 50896 1
500 . 1 . 1 87 87 SER H H 1 7.960 0.001 . 1 . . . . . 87 SER H . 50896 1
501 . 1 . 1 87 87 SER HA H 1 4.450 0.004 . 1 . . . . . 87 SER HA . 50896 1
502 . 1 . 1 87 87 SER C C 13 175.563 0.006 . 1 . . . . . 87 SER C . 50896 1
503 . 1 . 1 87 87 SER CA C 13 59.805 0.005 . 1 . . . . . 87 SER CA . 50896 1
504 . 1 . 1 87 87 SER CB C 13 63.828 0.043 . 1 . . . . . 87 SER CB . 50896 1
505 . 1 . 1 87 87 SER N N 15 115.309 0.011 . 1 . . . . . 87 SER N . 50896 1
506 . 1 . 1 88 88 ILE H H 1 8.087 0.002 . 1 . . . . . 88 ILE H . 50896 1
507 . 1 . 1 88 88 ILE HA H 1 3.964 0.003 . 1 . . . . . 88 ILE HA . 50896 1
508 . 1 . 1 88 88 ILE C C 13 177.399 0.000 . 1 . . . . . 88 ILE C . 50896 1
509 . 1 . 1 88 88 ILE CA C 13 63.388 0.020 . 1 . . . . . 88 ILE CA . 50896 1
510 . 1 . 1 88 88 ILE CB C 13 37.693 0.065 . 1 . . . . . 88 ILE CB . 50896 1
511 . 1 . 1 88 88 ILE N N 15 122.229 0.007 . 1 . . . . . 88 ILE N . 50896 1
512 . 1 . 1 89 89 ALA H H 1 8.210 0.001 . 1 . . . . . 89 ALA H . 50896 1
513 . 1 . 1 89 89 ALA HA H 1 4.106 0.003 . 1 . . . . . 89 ALA HA . 50896 1
514 . 1 . 1 89 89 ALA C C 13 178.999 0.000 . 1 . . . . . 89 ALA C . 50896 1
515 . 1 . 1 89 89 ALA CA C 13 54.522 0.001 . 1 . . . . . 89 ALA CA . 50896 1
516 . 1 . 1 89 89 ALA CB C 13 18.443 0.026 . 1 . . . . . 89 ALA CB . 50896 1
517 . 1 . 1 89 89 ALA N N 15 124.142 0.035 . 1 . . . . . 89 ALA N . 50896 1
518 . 1 . 1 90 90 ALA H H 1 7.945 0.001 . 1 . . . . . 90 ALA H . 50896 1
519 . 1 . 1 90 90 ALA HA H 1 4.544 0.001 . 1 . . . . . 90 ALA HA . 50896 1
520 . 1 . 1 90 90 ALA C C 13 179.005 0.000 . 1 . . . . . 90 ALA C . 50896 1
521 . 1 . 1 90 90 ALA CA C 13 53.846 0.004 . 1 . . . . . 90 ALA CA . 50896 1
522 . 1 . 1 90 90 ALA CB C 13 18.708 0.016 . 1 . . . . . 90 ALA CB . 50896 1
523 . 1 . 1 90 90 ALA N N 15 119.991 0.001 . 1 . . . . . 90 ALA N . 50896 1
524 . 1 . 1 91 91 ALA H H 1 7.947 0.002 . 1 . . . . . 91 ALA H . 50896 1
525 . 1 . 1 91 91 ALA HA H 1 4.278 0.002 . 1 . . . . . 91 ALA HA . 50896 1
526 . 1 . 1 91 91 ALA C C 13 178.422 0.001 . 1 . . . . . 91 ALA C . 50896 1
527 . 1 . 1 91 91 ALA CA C 13 53.674 0.002 . 1 . . . . . 91 ALA CA . 50896 1
528 . 1 . 1 91 91 ALA CB C 13 19.077 0.013 . 1 . . . . . 91 ALA CB . 50896 1
529 . 1 . 1 91 91 ALA N N 15 120.835 0.037 . 1 . . . . . 91 ALA N . 50896 1
530 . 1 . 1 92 92 THR H H 1 7.779 0.001 . 1 . . . . . 92 THR H . 50896 1
531 . 1 . 1 92 92 THR HA H 1 4.236 0.002 . 1 . . . . . 92 THR HA . 50896 1
532 . 1 . 1 92 92 THR C C 13 175.516 0.007 . 1 . . . . . 92 THR C . 50896 1
533 . 1 . 1 92 92 THR CA C 13 62.954 0.009 . 1 . . . . . 92 THR CA . 50896 1
534 . 1 . 1 92 92 THR CB C 13 70.057 0.015 . 1 . . . . . 92 THR CB . 50896 1
535 . 1 . 1 92 92 THR N N 15 108.198 0.016 . 1 . . . . . 92 THR N . 50896 1
536 . 1 . 1 93 93 GLY H H 1 7.922 0.001 . 1 . . . . . 93 GLY H . 50896 1
537 . 1 . 1 93 93 GLY HA2 H 1 3.949 0.006 . 2 . . . . . 93 GLY HA2 . 50896 1
538 . 1 . 1 93 93 GLY HA3 H 1 3.949 0.006 . 2 . . . . . 93 GLY HA3 . 50896 1
539 . 1 . 1 93 93 GLY C C 13 174.401 0.006 . 1 . . . . . 93 GLY C . 50896 1
540 . 1 . 1 93 93 GLY CA C 13 45.857 0.001 . 1 . . . . . 93 GLY CA . 50896 1
541 . 1 . 1 93 93 GLY N N 15 108.727 0.049 . 1 . . . . . 93 GLY N . 50896 1
542 . 1 . 1 94 94 PHE H H 1 7.877 0.001 . 1 . . . . . 94 PHE H . 50896 1
543 . 1 . 1 94 94 PHE HA H 1 4.512 0.002 . 1 . . . . . 94 PHE HA . 50896 1
544 . 1 . 1 94 94 PHE C C 13 175.530 0.000 . 1 . . . . . 94 PHE C . 50896 1
545 . 1 . 1 94 94 PHE CA C 13 58.812 0.009 . 1 . . . . . 94 PHE CA . 50896 1
546 . 1 . 1 94 94 PHE CB C 13 39.768 0.053 . 1 . . . . . 94 PHE CB . 50896 1
547 . 1 . 1 94 94 PHE N N 15 119.545 0.026 . 1 . . . . . 94 PHE N . 50896 1
548 . 1 . 1 95 95 VAL H H 1 7.568 0.003 . 1 . . . . . 95 VAL H . 50896 1
549 . 1 . 1 95 95 VAL HA H 1 4.073 0.006 . 1 . . . . . 95 VAL HA . 50896 1
550 . 1 . 1 95 95 VAL C C 13 175.405 0.004 . 1 . . . . . 95 VAL C . 50896 1
551 . 1 . 1 95 95 VAL CA C 13 62.022 0.002 . 1 . . . . . 95 VAL CA . 50896 1
552 . 1 . 1 95 95 VAL CB C 13 33.091 0.016 . 1 . . . . . 95 VAL CB . 50896 1
553 . 1 . 1 95 95 VAL N N 15 118.826 0.048 . 1 . . . . . 95 VAL N . 50896 1
554 . 1 . 1 96 96 LYS H H 1 8.141 0.001 . 1 . . . . . 96 LYS H . 50896 1
555 . 1 . 1 96 96 LYS HA H 1 4.275 0.008 . 1 . . . . . 96 LYS HA . 50896 1
556 . 1 . 1 96 96 LYS C C 13 176.406 0.001 . 1 . . . . . 96 LYS C . 50896 1
557 . 1 . 1 96 96 LYS CA C 13 56.448 0.007 . 1 . . . . . 96 LYS CA . 50896 1
558 . 1 . 1 96 96 LYS CB C 13 33.062 0.046 . 1 . . . . . 96 LYS CB . 50896 1
559 . 1 . 1 96 96 LYS N N 15 124.810 0.040 . 1 . . . . . 96 LYS N . 50896 1
560 . 1 . 1 97 97 LYS H H 1 8.229 0.001 . 1 . . . . . 97 LYS H . 50896 1
561 . 1 . 1 97 97 LYS HA H 1 4.273 0.004 . 1 . . . . . 97 LYS HA . 50896 1
562 . 1 . 1 97 97 LYS C C 13 176.223 0.000 . 1 . . . . . 97 LYS C . 50896 1
563 . 1 . 1 97 97 LYS CA C 13 56.621 0.005 . 1 . . . . . 97 LYS CA . 50896 1
564 . 1 . 1 97 97 LYS CB C 13 33.161 0.035 . 1 . . . . . 97 LYS CB . 50896 1
565 . 1 . 1 97 97 LYS N N 15 123.054 0.026 . 1 . . . . . 97 LYS N . 50896 1
566 . 1 . 1 98 98 ASP H H 1 8.311 0.000 . 1 . . . . . 98 ASP H . 50896 1
567 . 1 . 1 98 98 ASP HA H 1 4.561 0.019 . 1 . . . . . 98 ASP HA . 50896 1
568 . 1 . 1 98 98 ASP C C 13 176.156 0.000 . 1 . . . . . 98 ASP C . 50896 1
569 . 1 . 1 98 98 ASP CA C 13 54.629 0.042 . 1 . . . . . 98 ASP CA . 50896 1
570 . 1 . 1 98 98 ASP CB C 13 41.076 0.030 . 1 . . . . . 98 ASP CB . 50896 1
571 . 1 . 1 98 98 ASP N N 15 120.843 0.035 . 1 . . . . . 98 ASP N . 50896 1
572 . 1 . 1 99 99 GLN H H 1 8.234 0.001 . 1 . . . . . 99 GLN H . 50896 1
573 . 1 . 1 99 99 GLN HA H 1 4.323 0.003 . 1 . . . . . 99 GLN HA . 50896 1
574 . 1 . 1 99 99 GLN C C 13 175.910 0.001 . 1 . . . . . 99 GLN C . 50896 1
575 . 1 . 1 99 99 GLN CA C 13 55.805 0.004 . 1 . . . . . 99 GLN CA . 50896 1
576 . 1 . 1 99 99 GLN CB C 13 29.550 0.042 . 1 . . . . . 99 GLN CB . 50896 1
577 . 1 . 1 99 99 GLN N N 15 119.957 0.042 . 1 . . . . . 99 GLN N . 50896 1
578 . 1 . 1 100 100 LEU H H 1 8.201 0.001 . 1 . . . . . 100 LEU H . 50896 1
579 . 1 . 1 100 100 LEU HA H 1 4.323 0.006 . 1 . . . . . 100 LEU HA . 50896 1
580 . 1 . 1 100 100 LEU C C 13 177.900 0.008 . 1 . . . . . 100 LEU C . 50896 1
581 . 1 . 1 100 100 LEU CA C 13 55.495 0.000 . 1 . . . . . 100 LEU CA . 50896 1
582 . 1 . 1 100 100 LEU CB C 13 42.238 0.031 . 1 . . . . . 100 LEU CB . 50896 1
583 . 1 . 1 100 100 LEU N N 15 122.817 0.018 . 1 . . . . . 100 LEU N . 50896 1
584 . 1 . 1 101 101 GLY H H 1 8.374 0.001 . 1 . . . . . 101 GLY H . 50896 1
585 . 1 . 1 101 101 GLY HA2 H 1 3.942 0.001 . 2 . . . . . 101 GLY HA2 . 50896 1
586 . 1 . 1 101 101 GLY HA3 H 1 3.942 0.001 . 2 . . . . . 101 GLY HA3 . 50896 1
587 . 1 . 1 101 101 GLY C C 13 174.083 0.001 . 1 . . . . . 101 GLY C . 50896 1
588 . 1 . 1 101 101 GLY CA C 13 45.473 0.002 . 1 . . . . . 101 GLY CA . 50896 1
589 . 1 . 1 101 101 GLY N N 15 109.602 0.023 . 1 . . . . . 101 GLY N . 50896 1
590 . 1 . 1 102 102 LYS H H 1 8.101 0.001 . 1 . . . . . 102 LYS H . 50896 1
591 . 1 . 1 102 102 LYS HA H 1 4.330 0.001 . 1 . . . . . 102 LYS HA . 50896 1
592 . 1 . 1 102 102 LYS C C 13 176.335 0.003 . 1 . . . . . 102 LYS C . 50896 1
593 . 1 . 1 102 102 LYS CA C 13 56.284 0.008 . 1 . . . . . 102 LYS CA . 50896 1
594 . 1 . 1 102 102 LYS CB C 13 33.154 0.022 . 1 . . . . . 102 LYS CB . 50896 1
595 . 1 . 1 102 102 LYS N N 15 120.585 0.019 . 1 . . . . . 102 LYS N . 50896 1
596 . 1 . 1 103 103 ASN H H 1 8.482 0.001 . 1 . . . . . 103 ASN H . 50896 1
597 . 1 . 1 103 103 ASN HA H 1 4.704 0.018 . 1 . . . . . 103 ASN HA . 50896 1
598 . 1 . 1 103 103 ASN C C 13 175.108 0.002 . 1 . . . . . 103 ASN C . 50896 1
599 . 1 . 1 103 103 ASN CA C 13 53.387 0.004 . 1 . . . . . 103 ASN CA . 50896 1
600 . 1 . 1 103 103 ASN CB C 13 39.013 0.030 . 1 . . . . . 103 ASN CB . 50896 1
601 . 1 . 1 103 103 ASN N N 15 120.105 0.057 . 1 . . . . . 103 ASN N . 50896 1
602 . 1 . 1 104 104 GLU H H 1 8.383 0.004 . 1 . . . . . 104 GLU H . 50896 1
603 . 1 . 1 104 104 GLU HA H 1 4.269 0.000 . 1 . . . . . 104 GLU HA . 50896 1
604 . 1 . 1 104 104 GLU C C 13 176.419 0.000 . 1 . . . . . 104 GLU C . 50896 1
605 . 1 . 1 104 104 GLU CA C 13 56.669 0.006 . 1 . . . . . 104 GLU CA . 50896 1
606 . 1 . 1 104 104 GLU CB C 13 30.502 0.012 . 1 . . . . . 104 GLU CB . 50896 1
607 . 1 . 1 104 104 GLU N N 15 121.834 0.022 . 1 . . . . . 104 GLU N . 50896 1
608 . 1 . 1 105 105 GLU H H 1 8.406 0.000 . 1 . . . . . 105 GLU H . 50896 1
609 . 1 . 1 105 105 GLU HA H 1 4.291 0.005 . 1 . . . . . 105 GLU HA . 50896 1
610 . 1 . 1 105 105 GLU C C 13 176.946 0.001 . 1 . . . . . 105 GLU C . 50896 1
611 . 1 . 1 105 105 GLU CA C 13 56.852 0.002 . 1 . . . . . 105 GLU CA . 50896 1
612 . 1 . 1 105 105 GLU CB C 13 30.490 0.007 . 1 . . . . . 105 GLU CB . 50896 1
613 . 1 . 1 105 105 GLU N N 15 122.305 0.031 . 1 . . . . . 105 GLU N . 50896 1
614 . 1 . 1 106 106 GLY H H 1 8.326 0.002 . 1 . . . . . 106 GLY H . 50896 1
615 . 1 . 1 106 106 GLY HA2 H 1 3.920 0.003 . 2 . . . . . 106 GLY HA2 . 50896 1
616 . 1 . 1 106 106 GLY HA3 H 1 3.920 0.003 . 2 . . . . . 106 GLY HA3 . 50896 1
617 . 1 . 1 106 106 GLY C C 13 173.374 0.001 . 1 . . . . . 106 GLY C . 50896 1
618 . 1 . 1 106 106 GLY CA C 13 45.086 0.003 . 1 . . . . . 106 GLY CA . 50896 1
619 . 1 . 1 106 106 GLY N N 15 109.967 0.036 . 1 . . . . . 106 GLY N . 50896 1
620 . 1 . 1 107 107 ALA H H 1 8.088 0.001 . 1 . . . . . 107 ALA H . 50896 1
621 . 1 . 1 107 107 ALA HA H 1 4.609 0.007 . 1 . . . . . 107 ALA HA . 50896 1
622 . 1 . 1 107 107 ALA C C 13 175.597 0.000 . 1 . . . . . 107 ALA C . 50896 1
623 . 1 . 1 107 107 ALA CA C 13 50.453 0.000 . 1 . . . . . 107 ALA CA . 50896 1
624 . 1 . 1 107 107 ALA CB C 13 18.199 0.022 . 1 . . . . . 107 ALA CB . 50896 1
625 . 1 . 1 107 107 ALA N N 15 124.931 0.036 . 1 . . . . . 107 ALA N . 50896 1
626 . 1 . 1 108 108 PRO HA H 1 4.426 0.000 . 1 . . . . . 108 PRO HA . 50896 1
627 . 1 . 1 108 108 PRO C C 13 177.022 0.000 . 1 . . . . . 108 PRO C . 50896 1
628 . 1 . 1 108 108 PRO CA C 13 63.074 0.000 . 1 . . . . . 108 PRO CA . 50896 1
629 . 1 . 1 108 108 PRO CB C 13 32.006 0.000 . 1 . . . . . 108 PRO CB . 50896 1
630 . 1 . 1 109 109 GLN H H 1 8.458 0.000 . 1 . . . . . 109 GLN H . 50896 1
631 . 1 . 1 109 109 GLN HA H 1 4.317 0.002 . 1 . . . . . 109 GLN HA . 50896 1
632 . 1 . 1 109 109 GLN C C 13 175.959 0.001 . 1 . . . . . 109 GLN C . 50896 1
633 . 1 . 1 109 109 GLN CA C 13 55.724 0.003 . 1 . . . . . 109 GLN CA . 50896 1
634 . 1 . 1 109 109 GLN CB C 13 29.649 0.040 . 1 . . . . . 109 GLN CB . 50896 1
635 . 1 . 1 109 109 GLN N N 15 120.961 0.038 . 1 . . . . . 109 GLN N . 50896 1
636 . 1 . 1 110 110 GLU H H 1 8.415 0.001 . 1 . . . . . 110 GLU H . 50896 1
637 . 1 . 1 110 110 GLU HA H 1 4.299 0.003 . 1 . . . . . 110 GLU HA . 50896 1
638 . 1 . 1 110 110 GLU C C 13 176.788 0.001 . 1 . . . . . 110 GLU C . 50896 1
639 . 1 . 1 110 110 GLU CA C 13 56.774 0.000 . 1 . . . . . 110 GLU CA . 50896 1
640 . 1 . 1 110 110 GLU CB C 13 30.565 0.069 . 1 . . . . . 110 GLU CB . 50896 1
641 . 1 . 1 110 110 GLU N N 15 122.427 0.000 . 1 . . . . . 110 GLU N . 50896 1
642 . 1 . 1 111 111 GLY H H 1 8.378 0.000 . 1 . . . . . 111 GLY H . 50896 1
643 . 1 . 1 111 111 GLY HA2 H 1 3.941 0.003 . 2 . . . . . 111 GLY HA2 . 50896 1
644 . 1 . 1 111 111 GLY HA3 H 1 3.941 0.003 . 2 . . . . . 111 GLY HA3 . 50896 1
645 . 1 . 1 111 111 GLY C C 13 173.732 0.001 . 1 . . . . . 111 GLY C . 50896 1
646 . 1 . 1 111 111 GLY CA C 13 45.485 0.001 . 1 . . . . . 111 GLY CA . 50896 1
647 . 1 . 1 111 111 GLY N N 15 110.033 0.017 . 1 . . . . . 111 GLY N . 50896 1
648 . 1 . 1 112 112 ILE H H 1 7.905 0.001 . 1 . . . . . 112 ILE H . 50896 1
649 . 1 . 1 112 112 ILE HA H 1 4.179 0.001 . 1 . . . . . 112 ILE HA . 50896 1
650 . 1 . 1 112 112 ILE C C 13 176.083 0.001 . 1 . . . . . 112 ILE C . 50896 1
651 . 1 . 1 112 112 ILE CA C 13 60.990 0.001 . 1 . . . . . 112 ILE CA . 50896 1
652 . 1 . 1 112 112 ILE CB C 13 38.712 0.016 . 1 . . . . . 112 ILE CB . 50896 1
653 . 1 . 1 112 112 ILE N N 15 119.985 0.010 . 1 . . . . . 112 ILE N . 50896 1
654 . 1 . 1 113 113 LEU H H 1 8.281 0.001 . 1 . . . . . 113 LEU H . 50896 1
655 . 1 . 1 113 113 LEU HA H 1 4.403 0.000 . 1 . . . . . 113 LEU HA . 50896 1
656 . 1 . 1 113 113 LEU C C 13 176.978 0.004 . 1 . . . . . 113 LEU C . 50896 1
657 . 1 . 1 113 113 LEU CA C 13 55.019 0.005 . 1 . . . . . 113 LEU CA . 50896 1
658 . 1 . 1 113 113 LEU CB C 13 42.423 0.050 . 1 . . . . . 113 LEU CB . 50896 1
659 . 1 . 1 113 113 LEU N N 15 126.851 0.030 . 1 . . . . . 113 LEU N . 50896 1
660 . 1 . 1 114 114 GLU H H 1 8.316 0.001 . 1 . . . . . 114 GLU H . 50896 1
661 . 1 . 1 114 114 GLU HA H 1 4.276 0.001 . 1 . . . . . 114 GLU HA . 50896 1
662 . 1 . 1 114 114 GLU C C 13 175.807 0.004 . 1 . . . . . 114 GLU C . 50896 1
663 . 1 . 1 114 114 GLU CA C 13 56.609 0.002 . 1 . . . . . 114 GLU CA . 50896 1
664 . 1 . 1 114 114 GLU CB C 13 30.705 0.057 . 1 . . . . . 114 GLU CB . 50896 1
665 . 1 . 1 114 114 GLU N N 15 122.232 0.010 . 1 . . . . . 114 GLU N . 50896 1
666 . 1 . 1 115 115 ASP H H 1 8.265 0.005 . 1 . . . . . 115 ASP H . 50896 1
667 . 1 . 1 115 115 ASP HA H 1 4.575 0.002 . 1 . . . . . 115 ASP HA . 50896 1
668 . 1 . 1 115 115 ASP C C 13 175.691 0.004 . 1 . . . . . 115 ASP C . 50896 1
669 . 1 . 1 115 115 ASP CA C 13 54.366 0.002 . 1 . . . . . 115 ASP CA . 50896 1
670 . 1 . 1 115 115 ASP CB C 13 41.299 0.018 . 1 . . . . . 115 ASP CB . 50896 1
671 . 1 . 1 115 115 ASP N N 15 121.454 0.039 . 1 . . . . . 115 ASP N . 50896 1
672 . 1 . 1 116 116 MET H H 1 8.163 0.001 . 1 . . . . . 116 MET H . 50896 1
673 . 1 . 1 116 116 MET HA H 1 4.772 0.001 . 1 . . . . . 116 MET HA . 50896 1
674 . 1 . 1 116 116 MET C C 13 174.018 0.000 . 1 . . . . . 116 MET C . 50896 1
675 . 1 . 1 116 116 MET CA C 13 53.264 0.000 . 1 . . . . . 116 MET CA . 50896 1
676 . 1 . 1 116 116 MET CB C 13 32.798 0.038 . 1 . . . . . 116 MET CB . 50896 1
677 . 1 . 1 116 116 MET N N 15 121.833 0.022 . 1 . . . . . 116 MET N . 50896 1
678 . 1 . 1 117 117 PRO HA H 1 4.461 0.000 . 1 . . . . . 117 PRO HA . 50896 1
679 . 1 . 1 117 117 PRO C C 13 176.660 0.000 . 1 . . . . . 117 PRO C . 50896 1
680 . 1 . 1 117 117 PRO CA C 13 62.905 0.000 . 1 . . . . . 117 PRO CA . 50896 1
681 . 1 . 1 117 117 PRO CB C 13 32.124 0.000 . 1 . . . . . 117 PRO CB . 50896 1
682 . 1 . 1 118 118 VAL H H 1 8.140 0.000 . 1 . . . . . 118 VAL H . 50896 1
683 . 1 . 1 118 118 VAL HA H 1 4.100 0.002 . 1 . . . . . 118 VAL HA . 50896 1
684 . 1 . 1 118 118 VAL C C 13 175.663 0.000 . 1 . . . . . 118 VAL C . 50896 1
685 . 1 . 1 118 118 VAL CA C 13 61.910 0.003 . 1 . . . . . 118 VAL CA . 50896 1
686 . 1 . 1 118 118 VAL CB C 13 33.127 0.006 . 1 . . . . . 118 VAL CB . 50896 1
687 . 1 . 1 118 118 VAL N N 15 120.241 0.039 . 1 . . . . . 118 VAL N . 50896 1
688 . 1 . 1 119 119 ASP H H 1 8.366 0.000 . 1 . . . . . 119 ASP H . 50896 1
689 . 1 . 1 119 119 ASP HA H 1 4.893 0.002 . 1 . . . . . 119 ASP HA . 50896 1
690 . 1 . 1 119 119 ASP C C 13 174.644 0.000 . 1 . . . . . 119 ASP C . 50896 1
691 . 1 . 1 119 119 ASP CA C 13 52.290 0.000 . 1 . . . . . 119 ASP CA . 50896 1
692 . 1 . 1 119 119 ASP CB C 13 41.042 0.020 . 1 . . . . . 119 ASP CB . 50896 1
693 . 1 . 1 119 119 ASP N N 15 125.592 0.043 . 1 . . . . . 119 ASP N . 50896 1
694 . 1 . 1 120 120 PRO HA H 1 4.358 0.000 . 1 . . . . . 120 PRO HA . 50896 1
695 . 1 . 1 120 120 PRO C C 13 176.871 0.000 . 1 . . . . . 120 PRO C . 50896 1
696 . 1 . 1 120 120 PRO CA C 13 63.530 0.000 . 1 . . . . . 120 PRO CA . 50896 1
697 . 1 . 1 120 120 PRO CB C 13 32.249 0.000 . 1 . . . . . 120 PRO CB . 50896 1
698 . 1 . 1 121 121 ASP H H 1 8.304 0.000 . 1 . . . . . 121 ASP H . 50896 1
699 . 1 . 1 121 121 ASP HA H 1 4.596 0.003 . 1 . . . . . 121 ASP HA . 50896 1
700 . 1 . 1 121 121 ASP C C 13 176.173 0.002 . 1 . . . . . 121 ASP C . 50896 1
701 . 1 . 1 121 121 ASP CA C 13 54.727 0.000 . 1 . . . . . 121 ASP CA . 50896 1
702 . 1 . 1 121 121 ASP CB C 13 40.979 0.029 . 1 . . . . . 121 ASP CB . 50896 1
703 . 1 . 1 121 121 ASP N N 15 119.544 0.034 . 1 . . . . . 121 ASP N . 50896 1
704 . 1 . 1 122 122 ASN H H 1 8.103 0.001 . 1 . . . . . 122 ASN H . 50896 1
705 . 1 . 1 122 122 ASN HA H 1 4.677 0.002 . 1 . . . . . 122 ASN HA . 50896 1
706 . 1 . 1 122 122 ASN C C 13 175.271 0.003 . 1 . . . . . 122 ASN C . 50896 1
707 . 1 . 1 122 122 ASN CA C 13 53.481 0.003 . 1 . . . . . 122 ASN CA . 50896 1
708 . 1 . 1 122 122 ASN CB C 13 39.319 0.040 . 1 . . . . . 122 ASN CB . 50896 1
709 . 1 . 1 122 122 ASN N N 15 119.002 0.036 . 1 . . . . . 122 ASN N . 50896 1
710 . 1 . 1 123 123 GLU H H 1 8.279 0.001 . 1 . . . . . 123 GLU H . 50896 1
711 . 1 . 1 123 123 GLU HA H 1 4.213 0.000 . 1 . . . . . 123 GLU HA . 50896 1
712 . 1 . 1 123 123 GLU C C 13 175.962 0.002 . 1 . . . . . 123 GLU C . 50896 1
713 . 1 . 1 123 123 GLU CA C 13 56.832 0.007 . 1 . . . . . 123 GLU CA . 50896 1
714 . 1 . 1 123 123 GLU CB C 13 30.159 0.024 . 1 . . . . . 123 GLU CB . 50896 1
715 . 1 . 1 123 123 GLU N N 15 121.404 0.007 . 1 . . . . . 123 GLU N . 50896 1
716 . 1 . 1 124 124 ALA H H 1 8.108 0.001 . 1 . . . . . 124 ALA H . 50896 1
717 . 1 . 1 124 124 ALA HA H 1 4.287 0.002 . 1 . . . . . 124 ALA HA . 50896 1
718 . 1 . 1 124 124 ALA C C 13 177.072 0.001 . 1 . . . . . 124 ALA C . 50896 1
719 . 1 . 1 124 124 ALA CA C 13 52.324 0.002 . 1 . . . . . 124 ALA CA . 50896 1
720 . 1 . 1 124 124 ALA CB C 13 19.119 0.045 . 1 . . . . . 124 ALA CB . 50896 1
721 . 1 . 1 124 124 ALA N N 15 124.470 0.015 . 1 . . . . . 124 ALA N . 50896 1
722 . 1 . 1 125 125 TYR H H 1 7.936 0.002 . 1 . . . . . 125 TYR H . 50896 1
723 . 1 . 1 125 125 TYR HA H 1 4.548 0.002 . 1 . . . . . 125 TYR HA . 50896 1
724 . 1 . 1 125 125 TYR C C 13 175.335 0.001 . 1 . . . . . 125 TYR C . 50896 1
725 . 1 . 1 125 125 TYR CA C 13 57.764 0.002 . 1 . . . . . 125 TYR CA . 50896 1
726 . 1 . 1 125 125 TYR CB C 13 39.015 0.038 . 1 . . . . . 125 TYR CB . 50896 1
727 . 1 . 1 125 125 TYR N N 15 119.792 0.008 . 1 . . . . . 125 TYR N . 50896 1
728 . 1 . 1 126 126 GLU H H 1 8.094 0.000 . 1 . . . . . 126 GLU H . 50896 1
729 . 1 . 1 126 126 GLU HA H 1 4.270 0.004 . 1 . . . . . 126 GLU HA . 50896 1
730 . 1 . 1 126 126 GLU C C 13 175.517 0.000 . 1 . . . . . 126 GLU C . 50896 1
731 . 1 . 1 126 126 GLU CA C 13 55.888 0.013 . 1 . . . . . 126 GLU CA . 50896 1
732 . 1 . 1 126 126 GLU CB C 13 30.768 0.016 . 1 . . . . . 126 GLU CB . 50896 1
733 . 1 . 1 126 126 GLU N N 15 123.284 0.025 . 1 . . . . . 126 GLU N . 50896 1
734 . 1 . 1 127 127 MET H H 1 8.308 0.001 . 1 . . . . . 127 MET H . 50896 1
735 . 1 . 1 127 127 MET HA H 1 4.712 0.001 . 1 . . . . . 127 MET HA . 50896 1
736 . 1 . 1 127 127 MET C C 13 174.163 0.000 . 1 . . . . . 127 MET C . 50896 1
737 . 1 . 1 127 127 MET CA C 13 53.382 0.000 . 1 . . . . . 127 MET CA . 50896 1
738 . 1 . 1 127 127 MET CB C 13 32.569 0.052 . 1 . . . . . 127 MET CB . 50896 1
739 . 1 . 1 127 127 MET N N 15 123.590 0.047 . 1 . . . . . 127 MET N . 50896 1
740 . 1 . 1 128 128 PRO HA H 1 4.454 0.000 . 1 . . . . . 128 PRO HA . 50896 1
741 . 1 . 1 128 128 PRO C C 13 176.856 0.000 . 1 . . . . . 128 PRO C . 50896 1
742 . 1 . 1 128 128 PRO CA C 13 63.073 0.000 . 1 . . . . . 128 PRO CA . 50896 1
743 . 1 . 1 128 128 PRO CB C 13 32.134 0.000 . 1 . . . . . 128 PRO CB . 50896 1
744 . 1 . 1 129 129 SER H H 1 8.361 0.001 . 1 . . . . . 129 SER H . 50896 1
745 . 1 . 1 129 129 SER HA H 1 4.436 0.001 . 1 . . . . . 129 SER HA . 50896 1
746 . 1 . 1 129 129 SER C C 13 174.721 0.002 . 1 . . . . . 129 SER C . 50896 1
747 . 1 . 1 129 129 SER CA C 13 58.363 0.003 . 1 . . . . . 129 SER CA . 50896 1
748 . 1 . 1 129 129 SER CB C 13 64.137 0.035 . 1 . . . . . 129 SER CB . 50896 1
749 . 1 . 1 129 129 SER N N 15 116.515 0.016 . 1 . . . . . 129 SER N . 50896 1
750 . 1 . 1 130 130 GLU H H 1 8.464 0.001 . 1 . . . . . 130 GLU H . 50896 1
751 . 1 . 1 130 130 GLU HA H 1 4.324 0.003 . 1 . . . . . 130 GLU HA . 50896 1
752 . 1 . 1 130 130 GLU C C 13 176.445 0.000 . 1 . . . . . 130 GLU C . 50896 1
753 . 1 . 1 130 130 GLU CA C 13 56.631 0.001 . 1 . . . . . 130 GLU CA . 50896 1
754 . 1 . 1 130 130 GLU CB C 13 30.449 0.026 . 1 . . . . . 130 GLU CB . 50896 1
755 . 1 . 1 130 130 GLU N N 15 123.049 0.021 . 1 . . . . . 130 GLU N . 50896 1
756 . 1 . 1 131 131 GLU H H 1 8.391 0.003 . 1 . . . . . 131 GLU H . 50896 1
757 . 1 . 1 131 131 GLU HA H 1 4.266 0.006 . 1 . . . . . 131 GLU HA . 50896 1
758 . 1 . 1 131 131 GLU C C 13 176.877 0.002 . 1 . . . . . 131 GLU C . 50896 1
759 . 1 . 1 131 131 GLU CA C 13 56.900 0.005 . 1 . . . . . 131 GLU CA . 50896 1
760 . 1 . 1 131 131 GLU CB C 13 30.423 0.034 . 1 . . . . . 131 GLU CB . 50896 1
761 . 1 . 1 131 131 GLU N N 15 122.030 0.015 . 1 . . . . . 131 GLU N . 50896 1
762 . 1 . 1 132 132 GLY H H 1 8.294 0.001 . 1 . . . . . 132 GLY H . 50896 1
763 . 1 . 1 132 132 GLY HA2 H 1 3.902 0.004 . 2 . . . . . 132 GLY HA2 . 50896 1
764 . 1 . 1 132 132 GLY HA3 H 1 3.902 0.004 . 2 . . . . . 132 GLY HA3 . 50896 1
765 . 1 . 1 132 132 GLY C C 13 173.762 0.000 . 1 . . . . . 132 GLY C . 50896 1
766 . 1 . 1 132 132 GLY CA C 13 45.345 0.003 . 1 . . . . . 132 GLY CA . 50896 1
767 . 1 . 1 132 132 GLY N N 15 109.647 0.022 . 1 . . . . . 132 GLY N . 50896 1
768 . 1 . 1 133 133 TYR H H 1 7.968 0.001 . 1 . . . . . 133 TYR H . 50896 1
769 . 1 . 1 133 133 TYR HA H 1 4.534 0.006 . 1 . . . . . 133 TYR HA . 50896 1
770 . 1 . 1 133 133 TYR C C 13 175.641 0.000 . 1 . . . . . 133 TYR C . 50896 1
771 . 1 . 1 133 133 TYR CA C 13 58.143 0.003 . 1 . . . . . 133 TYR CA . 50896 1
772 . 1 . 1 133 133 TYR CB C 13 38.905 0.072 . 1 . . . . . 133 TYR CB . 50896 1
773 . 1 . 1 133 133 TYR N N 15 120.163 0.017 . 1 . . . . . 133 TYR N . 50896 1
774 . 1 . 1 134 134 GLN H H 1 8.139 0.001 . 1 . . . . . 134 GLN H . 50896 1
775 . 1 . 1 134 134 GLN HA H 1 4.274 0.000 . 1 . . . . . 134 GLN HA . 50896 1
776 . 1 . 1 134 134 GLN C C 13 174.872 0.001 . 1 . . . . . 134 GLN C . 50896 1
777 . 1 . 1 134 134 GLN CA C 13 55.500 0.000 . 1 . . . . . 134 GLN CA . 50896 1
778 . 1 . 1 134 134 GLN CB C 13 29.872 0.019 . 1 . . . . . 134 GLN CB . 50896 1
779 . 1 . 1 134 134 GLN N N 15 122.429 0.006 . 1 . . . . . 134 GLN N . 50896 1
780 . 1 . 1 135 135 ASP H H 1 8.156 0.000 . 1 . . . . . 135 ASP H . 50896 1
781 . 1 . 1 135 135 ASP HA H 1 4.533 0.008 . 1 . . . . . 135 ASP HA . 50896 1
782 . 1 . 1 135 135 ASP C C 13 175.427 0.001 . 1 . . . . . 135 ASP C . 50896 1
783 . 1 . 1 135 135 ASP CA C 13 54.391 0.004 . 1 . . . . . 135 ASP CA . 50896 1
784 . 1 . 1 135 135 ASP CB C 13 41.281 0.032 . 1 . . . . . 135 ASP CB . 50896 1
785 . 1 . 1 135 135 ASP N N 15 121.648 0.032 . 1 . . . . . 135 ASP N . 50896 1
786 . 1 . 1 136 136 TYR H H 1 7.948 0.000 . 1 . . . . . 136 TYR H . 50896 1
787 . 1 . 1 136 136 TYR HA H 1 4.557 0.005 . 1 . . . . . 136 TYR HA . 50896 1
788 . 1 . 1 136 136 TYR C C 13 174.973 0.001 . 1 . . . . . 136 TYR C . 50896 1
789 . 1 . 1 136 136 TYR CA C 13 57.573 0.003 . 1 . . . . . 136 TYR CA . 50896 1
790 . 1 . 1 136 136 TYR CB C 13 39.198 0.051 . 1 . . . . . 136 TYR CB . 50896 1
791 . 1 . 1 136 136 TYR N N 15 120.382 0.014 . 1 . . . . . 136 TYR N . 50896 1
792 . 1 . 1 137 137 GLU H H 1 8.160 0.000 . 1 . . . . . 137 GLU H . 50896 1
793 . 1 . 1 137 137 GLU HA H 1 4.548 0.000 . 1 . . . . . 137 GLU HA . 50896 1
794 . 1 . 1 137 137 GLU C C 13 173.803 0.000 . 1 . . . . . 137 GLU C . 50896 1
795 . 1 . 1 137 137 GLU CA C 13 53.681 0.000 . 1 . . . . . 137 GLU CA . 50896 1
796 . 1 . 1 137 137 GLU CB C 13 30.200 0.017 . 1 . . . . . 137 GLU CB . 50896 1
797 . 1 . 1 137 137 GLU N N 15 125.069 0.013 . 1 . . . . . 137 GLU N . 50896 1
798 . 1 . 1 138 138 PRO HA H 1 4.345 0.000 . 1 . . . . . 138 PRO HA . 50896 1
799 . 1 . 1 138 138 PRO C C 13 176.836 0.000 . 1 . . . . . 138 PRO C . 50896 1
800 . 1 . 1 138 138 PRO CA C 13 63.015 0.000 . 1 . . . . . 138 PRO CA . 50896 1
801 . 1 . 1 138 138 PRO CB C 13 32.245 0.000 . 1 . . . . . 138 PRO CB . 50896 1
802 . 1 . 1 139 139 GLU H H 1 8.402 0.000 . 1 . . . . . 139 GLU H . 50896 1
803 . 1 . 1 139 139 GLU HA H 1 4.223 0.001 . 1 . . . . . 139 GLU HA . 50896 1
804 . 1 . 1 139 139 GLU C C 13 175.294 0.000 . 1 . . . . . 139 GLU C . 50896 1
805 . 1 . 1 139 139 GLU CA C 13 56.723 0.003 . 1 . . . . . 139 GLU CA . 50896 1
806 . 1 . 1 139 139 GLU CB C 13 30.398 0.067 . 1 . . . . . 139 GLU CB . 50896 1
807 . 1 . 1 139 139 GLU N N 15 121.392 0.017 . 1 . . . . . 139 GLU N . 50896 1
808 . 1 . 1 140 140 ALA H H 1 7.858 0.001 . 1 . . . . . 140 ALA H . 50896 1
809 . 1 . 1 140 140 ALA HA H 1 4.118 0.000 . 1 . . . . . 140 ALA HA . 50896 1
810 . 1 . 1 140 140 ALA C C 13 172.355 0.000 . 1 . . . . . 140 ALA C . 50896 1
811 . 1 . 1 140 140 ALA CA C 13 53.840 0.000 . 1 . . . . . 140 ALA CA . 50896 1
812 . 1 . 1 140 140 ALA CB C 13 20.243 0.017 . 1 . . . . . 140 ALA CB . 50896 1
813 . 1 . 1 140 140 ALA N N 15 130.592 0.028 . 1 . . . . . 140 ALA N . 50896 1
stop_
save_