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 51991
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name '1H, 13C, 15N chemical shifs of L. hesperus CTD MaSp2 at pH 7 + 300 mM NaCl'
_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' . . . 51991 1
2 '3D CBCACONH' . . . 51991 1
3 '3D C(CO)NH' . . . 51991 1
4 '3D HNCA' . . . 51991 1
5 '3D HN(CO)CA' . . . 51991 1
6 '3D HNCO' . . . 51991 1
7 '3D HN(CA)CO' . . . 51991 1
8 '3D H(CCO)NH' . . . 51991 1
9 '2D H(C)CO' . . . 51991 1
10 '2D H2(C)N' . . . 51991 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 . . 51991 1
2 $software_2 . . 51991 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 4 4 MET HA H 1 4.434 0.001 . . . . . . . 4 M HA . 51991 1
2 . 1 . 1 4 4 MET HB2 H 1 2.034 0.002 . . . . . . . 4 M HB . 51991 1
3 . 1 . 1 4 4 MET HB3 H 1 2.034 0.002 . . . . . . . 4 M HB . 51991 1
4 . 1 . 1 4 4 MET HG2 H 1 2.468 0.000 . . . . . . . 4 M HG . 51991 1
5 . 1 . 1 4 4 MET HG3 H 1 2.468 0.000 . . . . . . . 4 M HG . 51991 1
6 . 1 . 1 4 4 MET C C 13 176.612 0.009 . . . . . . . 4 M C . 51991 1
7 . 1 . 1 4 4 MET CA C 13 56.430 0.040 . . . . . . . 4 M CA . 51991 1
8 . 1 . 1 4 4 MET CB C 13 33.464 0.000 . . . . . . . 4 M CB . 51991 1
9 . 1 . 1 4 4 MET CG C 13 32.753 0.000 . . . . . . . 4 M CG . 51991 1
10 . 1 . 1 5 5 GLY H H 1 8.391 0.005 . . . . . . . 5 G H . 51991 1
11 . 1 . 1 5 5 GLY HA2 H 1 3.913 0.002 . . . . . . . 5 G HA . 51991 1
12 . 1 . 1 5 5 GLY HA3 H 1 3.913 0.002 . . . . . . . 5 G HA . 51991 1
13 . 1 . 1 5 5 GLY C C 13 174.952 0.082 . . . . . . . 5 G C . 51991 1
14 . 1 . 1 5 5 GLY CA C 13 46.058 0.078 . . . . . . . 5 G CA . 51991 1
15 . 1 . 1 5 5 GLY N N 15 110.218 0.061 . . . . . . . 5 G N . 51991 1
16 . 1 . 1 6 6 SER H H 1 7.589 0.006 . . . . . . . 6 S H . 51991 1
17 . 1 . 1 6 6 SER C C 13 174.183 0.000 . . . . . . . 6 S C . 51991 1
18 . 1 . 1 6 6 SER CA C 13 59.681 0.000 . . . . . . . 6 S CA . 51991 1
19 . 1 . 1 6 6 SER N N 15 116.631 0.065 . . . . . . . 6 S N . 51991 1
20 . 1 . 1 7 7 GLY HA2 H 1 3.958 0.001 . . . . . . . 7 G HA . 51991 1
21 . 1 . 1 7 7 GLY HA3 H 1 3.958 0.001 . . . . . . . 7 G HA . 51991 1
22 . 1 . 1 7 7 GLY C C 13 174.474 0.013 . . . . . . . 7 G C . 51991 1
23 . 1 . 1 7 7 GLY CA C 13 46.297 0.092 . . . . . . . 7 G CA . 51991 1
24 . 1 . 1 8 8 GLY H H 1 8.146 0.003 . . . . . . . 8 G H . 51991 1
25 . 1 . 1 8 8 GLY HA2 H 1 3.865 0.001 . . . . . . . 8 G HA . 51991 1
26 . 1 . 1 8 8 GLY HA3 H 1 3.865 0.001 . . . . . . . 8 G HA . 51991 1
27 . 1 . 1 8 8 GLY C C 13 173.707 0.004 . . . . . . . 8 G C . 51991 1
28 . 1 . 1 8 8 GLY CA C 13 45.952 0.075 . . . . . . . 8 G CA . 51991 1
29 . 1 . 1 8 8 GLY N N 15 108.364 0.044 . . . . . . . 8 G N . 51991 1
30 . 1 . 1 9 9 TYR H H 1 8.064 0.001 . . . . . . . 9 Y H . 51991 1
31 . 1 . 1 9 9 TYR HA H 1 4.604 0.003 . . . . . . . 9 Y HA . 51991 1
32 . 1 . 1 9 9 TYR HB2 H 1 3.095 0.000 . . . . . . . 9 Y HB2 . 51991 1
33 . 1 . 1 9 9 TYR HB3 H 1 2.899 0.002 . . . . . . . 9 Y HB3 . 51991 1
34 . 1 . 1 9 9 TYR C C 13 176.011 0.000 . . . . . . . 9 Y C . 51991 1
35 . 1 . 1 9 9 TYR CA C 13 58.536 0.001 . . . . . . . 9 Y CA . 51991 1
36 . 1 . 1 9 9 TYR CB C 13 39.916 0.030 . . . . . . . 9 Y CB . 51991 1
37 . 1 . 1 9 9 TYR N N 15 119.666 0.039 . . . . . . . 9 Y N . 51991 1
38 . 1 . 1 10 10 GLY H H 1 8.240 0.008 . . . . . . . 10 G H . 51991 1
39 . 1 . 1 10 10 GLY C C 13 171.873 0.000 . . . . . . . 10 G C . 51991 1
40 . 1 . 1 10 10 GLY CA C 13 45.433 0.000 . . . . . . . 10 G CA . 51991 1
41 . 1 . 1 10 10 GLY N N 15 110.620 0.038 . . . . . . . 10 G N . 51991 1
42 . 1 . 1 11 11 PRO HA H 1 4.425 0.002 . . . . . . . 11 P HA . 51991 1
43 . 1 . 1 11 11 PRO HB2 H 1 2.292 0.000 . . . . . . . 11 P HB2 . 51991 1
44 . 1 . 1 11 11 PRO HB3 H 1 1.971 0.011 . . . . . . . 11 P HB3 . 51991 1
45 . 1 . 1 11 11 PRO C C 13 177.339 0.002 . . . . . . . 11 P C . 51991 1
46 . 1 . 1 11 11 PRO CA C 13 64.264 0.002 . . . . . . . 11 P CA . 51991 1
47 . 1 . 1 11 11 PRO CB C 13 33.013 0.051 . . . . . . . 11 P CB . 51991 1
48 . 1 . 1 11 11 PRO CG C 13 27.966 0.000 . . . . . . . 11 P CG . 51991 1
49 . 1 . 1 11 11 PRO CD C 13 50.861 0.000 . . . . . . . 11 P CD . 51991 1
50 . 1 . 1 12 12 SER H H 1 8.392 0.003 . . . . . . . 12 S H . 51991 1
51 . 1 . 1 12 12 SER HA H 1 4.420 0.000 . . . . . . . 12 S HA . 51991 1
52 . 1 . 1 12 12 SER HB2 H 1 3.874 0.002 . . . . . . . 12 S HB . 51991 1
53 . 1 . 1 12 12 SER HB3 H 1 3.874 0.002 . . . . . . . 12 S HB . 51991 1
54 . 1 . 1 12 12 SER C C 13 174.516 0.036 . . . . . . . 12 S C . 51991 1
55 . 1 . 1 12 12 SER CA C 13 59.427 0.067 . . . . . . . 12 S CA . 51991 1
56 . 1 . 1 12 12 SER CB C 13 64.519 0.011 . . . . . . . 12 S CB . 51991 1
57 . 1 . 1 12 12 SER N N 15 115.479 0.032 . . . . . . . 12 S N . 51991 1
58 . 1 . 1 13 13 GLN H H 1 8.236 0.003 . . . . . . . 13 Q H . 51991 1
59 . 1 . 1 13 13 GLN HA H 1 4.289 0.006 . . . . . . . 13 Q HA . 51991 1
60 . 1 . 1 13 13 GLN HB2 H 1 1.930 0.006 . . . . . . . 13 Q HB . 51991 1
61 . 1 . 1 13 13 GLN HB3 H 1 1.930 0.006 . . . . . . . 13 Q HB . 51991 1
62 . 1 . 1 13 13 GLN HG2 H 1 2.181 0.002 . . . . . . . 13 Q HG . 51991 1
63 . 1 . 1 13 13 GLN HG3 H 1 2.181 0.002 . . . . . . . 13 Q HG . 51991 1
64 . 1 . 1 13 13 GLN C C 13 175.253 0.009 . . . . . . . 13 Q C . 51991 1
65 . 1 . 1 13 13 GLN CA C 13 56.626 0.064 . . . . . . . 13 Q CA . 51991 1
66 . 1 . 1 13 13 GLN CB C 13 30.368 0.020 . . . . . . . 13 Q CB . 51991 1
67 . 1 . 1 13 13 GLN CG C 13 34.471 0.000 . . . . . . . 13 Q CG . 51991 1
68 . 1 . 1 13 13 GLN CD C 13 177.445 0.000 . . . . . . . 13 Q CD . 51991 1
69 . 1 . 1 13 13 GLN N N 15 121.473 0.040 . . . . . . . 13 Q N . 51991 1
70 . 1 . 1 14 14 TYR H H 1 8.159 0.011 . . . . . . . 14 Y H . 51991 1
71 . 1 . 1 14 14 TYR HA H 1 4.569 0.012 . . . . . . . 14 Y HA . 51991 1
72 . 1 . 1 14 14 TYR HB2 H 1 2.942 0.000 . . . . . . . 14 Y HB . 51991 1
73 . 1 . 1 14 14 TYR HB3 H 1 2.942 0.000 . . . . . . . 14 Y HB . 51991 1
74 . 1 . 1 14 14 TYR C C 13 175.057 0.014 . . . . . . . 14 Y C . 51991 1
75 . 1 . 1 14 14 TYR CA C 13 58.723 0.046 . . . . . . . 14 Y CA . 51991 1
76 . 1 . 1 14 14 TYR CB C 13 39.731 0.006 . . . . . . . 14 Y CB . 51991 1
77 . 1 . 1 14 14 TYR N N 15 121.141 0.036 . . . . . . . 14 Y N . 51991 1
78 . 1 . 1 15 15 VAL H H 1 7.938 0.004 . . . . . . . 15 V H . 51991 1
79 . 1 . 1 15 15 VAL C C 13 173.752 0.000 . . . . . . . 15 V C . 51991 1
80 . 1 . 1 15 15 VAL CA C 13 60.632 0.000 . . . . . . . 15 V CA . 51991 1
81 . 1 . 1 15 15 VAL N N 15 124.734 0.050 . . . . . . . 15 V N . 51991 1
82 . 1 . 1 19 19 VAL HA H 1 3.937 0.002 . . . . . . . 19 V HA . 51991 1
83 . 1 . 1 19 19 VAL HB H 1 2.157 0.000 . . . . . . . 19 V HB . 51991 1
84 . 1 . 1 19 19 VAL HG11 H 1 0.964 0.000 . . . . . . . 19 V HG . 51991 1
85 . 1 . 1 19 19 VAL HG12 H 1 0.964 0.000 . . . . . . . 19 V HG . 51991 1
86 . 1 . 1 19 19 VAL HG13 H 1 0.964 0.000 . . . . . . . 19 V HG . 51991 1
87 . 1 . 1 19 19 VAL HG21 H 1 0.964 0.000 . . . . . . . 19 V HG . 51991 1
88 . 1 . 1 19 19 VAL HG22 H 1 0.964 0.000 . . . . . . . 19 V HG . 51991 1
89 . 1 . 1 19 19 VAL HG23 H 1 0.964 0.000 . . . . . . . 19 V HG . 51991 1
90 . 1 . 1 19 19 VAL C C 13 176.558 0.014 . . . . . . . 19 V C . 51991 1
91 . 1 . 1 19 19 VAL CA C 13 65.601 0.058 . . . . . . . 19 V CA . 51991 1
92 . 1 . 1 19 19 VAL CB C 13 32.644 0.000 . . . . . . . 19 V CB . 51991 1
93 . 1 . 1 19 19 VAL CG1 C 13 22.845 0.000 . . . . . . . 19 V CG# . 51991 1
94 . 1 . 1 19 19 VAL CG2 C 13 22.845 0.000 . . . . . . . 19 V CG# . 51991 1
95 . 1 . 1 20 20 ALA H H 1 8.084 0.005 . . . . . . . 20 A H . 51991 1
96 . 1 . 1 20 20 ALA HA H 1 4.143 0.011 . . . . . . . 20 A HA . 51991 1
97 . 1 . 1 20 20 ALA HB1 H 1 1.466 0.006 . . . . . . . 20 A HB . 51991 1
98 . 1 . 1 20 20 ALA HB2 H 1 1.466 0.006 . . . . . . . 20 A HB . 51991 1
99 . 1 . 1 20 20 ALA HB3 H 1 1.466 0.006 . . . . . . . 20 A HB . 51991 1
100 . 1 . 1 20 20 ALA C C 13 179.986 0.004 . . . . . . . 20 A C . 51991 1
101 . 1 . 1 20 20 ALA CA C 13 55.791 0.041 . . . . . . . 20 A CA . 51991 1
102 . 1 . 1 20 20 ALA CB C 13 19.256 0.049 . . . . . . . 20 A CB . 51991 1
103 . 1 . 1 20 20 ALA N N 15 123.229 0.038 . . . . . . . 20 A N . 51991 1
104 . 1 . 1 21 21 SER H H 1 8.278 0.004 . . . . . . . 21 S H . 51991 1
105 . 1 . 1 21 21 SER C C 13 170.556 0.000 . . . . . . . 21 S C . 51991 1
106 . 1 . 1 21 21 SER CA C 13 61.729 0.000 . . . . . . . 21 S CA . 51991 1
107 . 1 . 1 21 21 SER N N 15 114.247 0.090 . . . . . . . 21 S N . 51991 1
108 . 1 . 1 22 22 SER HA H 1 4.396 0.000 . . . . . . . 22 S HA . 51991 1
109 . 1 . 1 22 22 SER C C 13 176.070 0.000 . . . . . . . 22 S C . 51991 1
110 . 1 . 1 22 22 SER CA C 13 62.598 0.012 . . . . . . . 22 S CA . 51991 1
111 . 1 . 1 22 22 SER CB C 13 64.471 0.023 . . . . . . . 22 S CB . 51991 1
112 . 1 . 1 23 23 ALA H H 1 8.350 0.005 . . . . . . . 23 A H . 51991 1
113 . 1 . 1 23 23 ALA HA H 1 3.933 0.000 . . . . . . . 23 A HA . 51991 1
114 . 1 . 1 23 23 ALA HB1 H 1 1.424 0.002 . . . . . . . 23 A HB . 51991 1
115 . 1 . 1 23 23 ALA HB2 H 1 1.424 0.002 . . . . . . . 23 A HB . 51991 1
116 . 1 . 1 23 23 ALA HB3 H 1 1.424 0.002 . . . . . . . 23 A HB . 51991 1
117 . 1 . 1 23 23 ALA C C 13 178.150 0.011 . . . . . . . 23 A C . 51991 1
118 . 1 . 1 23 23 ALA CA C 13 55.683 0.057 . . . . . . . 23 A CA . 51991 1
119 . 1 . 1 23 23 ALA CB C 13 19.935 0.049 . . . . . . . 23 A CB . 51991 1
120 . 1 . 1 23 23 ALA N N 15 123.558 0.089 . . . . . . . 23 A N . 51991 1
121 . 1 . 1 24 24 ALA H H 1 7.986 0.003 . . . . . . . 24 A H . 51991 1
122 . 1 . 1 24 24 ALA HA H 1 4.035 0.010 . . . . . . . 24 A HA . 51991 1
123 . 1 . 1 24 24 ALA HB1 H 1 1.518 0.005 . . . . . . . 24 A HB . 51991 1
124 . 1 . 1 24 24 ALA HB2 H 1 1.518 0.005 . . . . . . . 24 A HB . 51991 1
125 . 1 . 1 24 24 ALA HB3 H 1 1.518 0.005 . . . . . . . 24 A HB . 51991 1
126 . 1 . 1 24 24 ALA C C 13 180.743 0.016 . . . . . . . 24 A C . 51991 1
127 . 1 . 1 24 24 ALA CA C 13 55.897 0.049 . . . . . . . 24 A CA . 51991 1
128 . 1 . 1 24 24 ALA CB C 13 19.154 0.011 . . . . . . . 24 A CB . 51991 1
129 . 1 . 1 24 24 ALA N N 15 119.754 0.051 . . . . . . . 24 A N . 51991 1
130 . 1 . 1 25 25 SER H H 1 8.249 0.002 . . . . . . . 25 S H . 51991 1
131 . 1 . 1 25 25 SER HA H 1 4.210 0.000 . . . . . . . 25 S HA . 51991 1
132 . 1 . 1 25 25 SER HB2 H 1 3.942 0.002 . . . . . . . 25 S HB . 51991 1
133 . 1 . 1 25 25 SER HB3 H 1 3.942 0.002 . . . . . . . 25 S HB . 51991 1
134 . 1 . 1 25 25 SER C C 13 177.113 0.000 . . . . . . . 25 S C . 51991 1
135 . 1 . 1 25 25 SER CA C 13 62.099 0.030 . . . . . . . 25 S CA . 51991 1
136 . 1 . 1 25 25 SER CB C 13 63.463 0.000 . . . . . . . 25 S CB . 51991 1
137 . 1 . 1 25 25 SER N N 15 114.938 0.018 . . . . . . . 25 S N . 51991 1
138 . 1 . 1 26 26 ALA H H 1 8.071 0.003 . . . . . . . 26 A H . 51991 1
139 . 1 . 1 26 26 ALA HA H 1 4.057 0.001 . . . . . . . 26 A HA . 51991 1
140 . 1 . 1 26 26 ALA HB1 H 1 1.391 0.006 . . . . . . . 26 A HB . 51991 1
141 . 1 . 1 26 26 ALA HB2 H 1 1.391 0.006 . . . . . . . 26 A HB . 51991 1
142 . 1 . 1 26 26 ALA HB3 H 1 1.391 0.006 . . . . . . . 26 A HB . 51991 1
143 . 1 . 1 26 26 ALA C C 13 178.305 0.007 . . . . . . . 26 A C . 51991 1
144 . 1 . 1 26 26 ALA CA C 13 55.799 0.034 . . . . . . . 26 A CA . 51991 1
145 . 1 . 1 26 26 ALA CB C 13 19.563 0.010 . . . . . . . 26 A CB . 51991 1
146 . 1 . 1 26 26 ALA N N 15 124.523 0.081 . . . . . . . 26 A N . 51991 1
147 . 1 . 1 27 27 ALA H H 1 8.188 0.003 . . . . . . . 27 A H . 51991 1
148 . 1 . 1 27 27 ALA HA H 1 3.938 0.004 . . . . . . . 27 A HA . 51991 1
149 . 1 . 1 27 27 ALA HB1 H 1 1.446 0.008 . . . . . . . 27 A HB . 51991 1
150 . 1 . 1 27 27 ALA HB2 H 1 1.446 0.008 . . . . . . . 27 A HB . 51991 1
151 . 1 . 1 27 27 ALA HB3 H 1 1.446 0.008 . . . . . . . 27 A HB . 51991 1
152 . 1 . 1 27 27 ALA C C 13 180.563 0.013 . . . . . . . 27 A C . 51991 1
153 . 1 . 1 27 27 ALA CA C 13 55.653 0.059 . . . . . . . 27 A CA . 51991 1
154 . 1 . 1 27 27 ALA CB C 13 19.057 0.009 . . . . . . . 27 A CB . 51991 1
155 . 1 . 1 27 27 ALA N N 15 117.088 0.032 . . . . . . . 27 A N . 51991 1
156 . 1 . 1 28 28 SER H H 1 7.957 0.003 . . . . . . . 28 S H . 51991 1
157 . 1 . 1 28 28 SER HA H 1 4.223 0.000 . . . . . . . 28 S HA . 51991 1
158 . 1 . 1 28 28 SER C C 13 177.218 0.012 . . . . . . . 28 S C . 51991 1
159 . 1 . 1 28 28 SER CA C 13 62.126 0.020 . . . . . . . 28 S CA . 51991 1
160 . 1 . 1 28 28 SER CB C 13 63.628 0.000 . . . . . . . 28 S CB . 51991 1
161 . 1 . 1 28 28 SER N N 15 113.787 0.029 . . . . . . . 28 S N . 51991 1
162 . 1 . 1 29 29 ALA H H 1 7.856 0.002 . . . . . . . 29 A H . 51991 1
163 . 1 . 1 29 29 ALA HA H 1 4.210 0.005 . . . . . . . 29 A HA . 51991 1
164 . 1 . 1 29 29 ALA HB1 H 1 1.477 0.011 . . . . . . . 29 A HB . 51991 1
165 . 1 . 1 29 29 ALA HB2 H 1 1.477 0.011 . . . . . . . 29 A HB . 51991 1
166 . 1 . 1 29 29 ALA HB3 H 1 1.477 0.011 . . . . . . . 29 A HB . 51991 1
167 . 1 . 1 29 29 ALA C C 13 180.337 0.002 . . . . . . . 29 A C . 51991 1
168 . 1 . 1 29 29 ALA CA C 13 55.265 0.038 . . . . . . . 29 A CA . 51991 1
169 . 1 . 1 29 29 ALA CB C 13 19.247 0.047 . . . . . . . 29 A CB . 51991 1
170 . 1 . 1 29 29 ALA N N 15 124.379 0.025 . . . . . . . 29 A N . 51991 1
171 . 1 . 1 30 30 LEU H H 1 7.851 0.008 . . . . . . . 30 L H . 51991 1
172 . 1 . 1 30 30 LEU HA H 1 4.155 0.004 . . . . . . . 30 L HA . 51991 1
173 . 1 . 1 30 30 LEU HB2 H 1 1.745 0.000 . . . . . . . 30 L HB . 51991 1
174 . 1 . 1 30 30 LEU HB3 H 1 1.745 0.000 . . . . . . . 30 L HB . 51991 1
175 . 1 . 1 30 30 LEU HG H 1 1.915 0.000 . . . . . . . 30 L HG . 51991 1
176 . 1 . 1 30 30 LEU C C 13 175.966 0.012 . . . . . . . 30 L C . 51991 1
177 . 1 . 1 30 30 LEU CA C 13 57.553 0.073 . . . . . . . 30 L CA . 51991 1
178 . 1 . 1 30 30 LEU CB C 13 41.883 0.060 . . . . . . . 30 L CB . 51991 1
179 . 1 . 1 30 30 LEU CG C 13 26.236 0.000 . . . . . . . 30 L CG . 51991 1
180 . 1 . 1 30 30 LEU CD1 C 13 22.444 0.000 . . . . . . . 30 L CD . 51991 1
181 . 1 . 1 30 30 LEU CD2 C 13 22.444 0.000 . . . . . . . 30 L CD . 51991 1
182 . 1 . 1 30 30 LEU N N 15 117.642 0.063 . . . . . . . 30 L N . 51991 1
183 . 1 . 1 31 31 SER H H 1 7.449 0.006 . . . . . . . 31 S H . 51991 1
184 . 1 . 1 31 31 SER C C 13 174.198 0.002 . . . . . . . 31 S C . 51991 1
185 . 1 . 1 31 31 SER CA C 13 59.854 0.016 . . . . . . . 31 S CA . 51991 1
186 . 1 . 1 31 31 SER CB C 13 64.944 0.000 . . . . . . . 31 S CB . 51991 1
187 . 1 . 1 31 31 SER N N 15 110.771 0.062 . . . . . . . 31 S N . 51991 1
188 . 1 . 1 32 32 SER H H 1 9.129 0.004 . . . . . . . 32 S H . 51991 1
189 . 1 . 1 32 32 SER C C 13 174.630 0.000 . . . . . . . 32 S C . 51991 1
190 . 1 . 1 32 32 SER CA C 13 58.412 0.000 . . . . . . . 32 S CA . 51991 1
191 . 1 . 1 32 32 SER N N 15 120.194 0.048 . . . . . . . 32 S N . 51991 1
192 . 1 . 1 33 33 PRO HA H 1 4.659 0.000 . . . . . . . 33 P HA . 51991 1
193 . 1 . 1 33 33 PRO CA C 13 63.617 0.052 . . . . . . . 33 P CA . 51991 1
194 . 1 . 1 34 34 THR H H 1 8.508 0.016 . . . . . . . 34 T H . 51991 1
195 . 1 . 1 34 34 THR HA H 1 4.057 0.000 . . . . . . . 34 T HA . 51991 1
196 . 1 . 1 34 34 THR HG21 H 1 1.258 0.000 . . . . . . . 34 T HG2 . 51991 1
197 . 1 . 1 34 34 THR HG22 H 1 1.258 0.000 . . . . . . . 34 T HG2 . 51991 1
198 . 1 . 1 34 34 THR HG23 H 1 1.258 0.000 . . . . . . . 34 T HG2 . 51991 1
199 . 1 . 1 34 34 THR C C 13 177.091 0.070 . . . . . . . 34 T C . 51991 1
200 . 1 . 1 34 34 THR CA C 13 66.226 0.099 . . . . . . . 34 T CA . 51991 1
201 . 1 . 1 34 34 THR CB C 13 69.203 0.072 . . . . . . . 34 T CB . 51991 1
202 . 1 . 1 34 34 THR N N 15 119.060 0.015 . . . . . . . 34 T N . 51991 1
203 . 1 . 1 35 35 THR H H 1 7.300 0.003 . . . . . . . 35 T H . 51991 1
204 . 1 . 1 35 35 THR HA H 1 4.334 0.000 . . . . . . . 35 T HA . 51991 1
205 . 1 . 1 35 35 THR HB H 1 4.388 0.000 . . . . . . . 35 T HB . 51991 1
206 . 1 . 1 35 35 THR HG21 H 1 1.667 0.000 . . . . . . . 35 T HG . 51991 1
207 . 1 . 1 35 35 THR HG22 H 1 1.667 0.000 . . . . . . . 35 T HG . 51991 1
208 . 1 . 1 35 35 THR HG23 H 1 1.667 0.000 . . . . . . . 35 T HG . 51991 1
209 . 1 . 1 35 35 THR C C 13 176.407 0.012 . . . . . . . 35 T C . 51991 1
210 . 1 . 1 35 35 THR CA C 13 66.226 0.042 . . . . . . . 35 T CA . 51991 1
211 . 1 . 1 35 35 THR CB C 13 68.672 0.000 . . . . . . . 35 T CB . 51991 1
212 . 1 . 1 35 35 THR N N 15 120.760 0.083 . . . . . . . 35 T N . 51991 1
213 . 1 . 1 36 36 HIS H H 1 7.920 0.005 . . . . . . . 36 H H . 51991 1
214 . 1 . 1 36 36 HIS HA H 1 4.194 0.004 . . . . . . . 36 H HA . 51991 1
215 . 1 . 1 36 36 HIS HB2 H 1 3.147 0.000 . . . . . . . 36 H HB . 51991 1
216 . 1 . 1 36 36 HIS HB3 H 1 3.147 0.000 . . . . . . . 36 H HB . 51991 1
217 . 1 . 1 36 36 HIS C C 13 177.367 0.017 . . . . . . . 36 H C . 51991 1
218 . 1 . 1 36 36 HIS CA C 13 58.883 0.045 . . . . . . . 36 H CA . 51991 1
219 . 1 . 1 36 36 HIS CB C 13 31.806 0.000 . . . . . . . 36 H CB . 51991 1
220 . 1 . 1 36 36 HIS N N 15 121.938 0.091 . . . . . . . 36 H N . 51991 1
221 . 1 . 1 37 37 ALA H H 1 7.705 0.003 . . . . . . . 37 A H . 51991 1
222 . 1 . 1 37 37 ALA HA H 1 4.203 0.005 . . . . . . . 37 A HA . 51991 1
223 . 1 . 1 37 37 ALA HB1 H 1 1.488 0.003 . . . . . . . 37 A HB . 51991 1
224 . 1 . 1 37 37 ALA HB2 H 1 1.488 0.003 . . . . . . . 37 A HB . 51991 1
225 . 1 . 1 37 37 ALA HB3 H 1 1.488 0.003 . . . . . . . 37 A HB . 51991 1
226 . 1 . 1 37 37 ALA C C 13 180.388 0.009 . . . . . . . 37 A C . 51991 1
227 . 1 . 1 37 37 ALA CA C 13 55.755 0.026 . . . . . . . 37 A CA . 51991 1
228 . 1 . 1 37 37 ALA CB C 13 18.641 0.026 . . . . . . . 37 A CB . 51991 1
229 . 1 . 1 37 37 ALA N N 15 119.849 0.061 . . . . . . . 37 A N . 51991 1
230 . 1 . 1 38 38 ARG H H 1 7.339 0.002 . . . . . . . 38 R H . 51991 1
231 . 1 . 1 38 38 ARG HA H 1 4.330 0.000 . . . . . . . 38 R HA . 51991 1
232 . 1 . 1 38 38 ARG HG2 H 1 1.386 0.000 . . . . . . . 38 R HG . 51991 1
233 . 1 . 1 38 38 ARG HG3 H 1 1.386 0.000 . . . . . . . 38 R HG . 51991 1
234 . 1 . 1 38 38 ARG HD2 H 1 3.206 0.000 . . . . . . . 38 R HD . 51991 1
235 . 1 . 1 38 38 ARG HD3 H 1 3.206 0.000 . . . . . . . 38 R HD . 51991 1
236 . 1 . 1 38 38 ARG C C 13 177.827 0.020 . . . . . . . 38 R C . 51991 1
237 . 1 . 1 38 38 ARG CA C 13 60.656 0.030 . . . . . . . 38 R CA . 51991 1
238 . 1 . 1 38 38 ARG CB C 13 31.791 0.000 . . . . . . . 38 R CB . 51991 1
239 . 1 . 1 38 38 ARG CG C 13 20.190 0.000 . . . . . . . 38 R CG . 51991 1
240 . 1 . 1 38 38 ARG N N 15 119.950 0.062 . . . . . . . 38 R N . 51991 1
241 . 1 . 1 38 38 ARG NE N 15 87.406 0.000 . . . . . . . 38 R NE . 51991 1
242 . 1 . 1 39 39 ILE H H 1 8.412 0.009 . . . . . . . 39 I H . 51991 1
243 . 1 . 1 39 39 ILE HA H 1 3.958 0.007 . . . . . . . 39 I HA . 51991 1
244 . 1 . 1 39 39 ILE HG21 H 1 0.936 0.000 . . . . . . . 39 I HG2 . 51991 1
245 . 1 . 1 39 39 ILE HG22 H 1 0.936 0.000 . . . . . . . 39 I HG2 . 51991 1
246 . 1 . 1 39 39 ILE HG23 H 1 0.936 0.000 . . . . . . . 39 I HG2 . 51991 1
247 . 1 . 1 39 39 ILE C C 13 177.846 0.006 . . . . . . . 39 I C . 51991 1
248 . 1 . 1 39 39 ILE CA C 13 66.948 0.068 . . . . . . . 39 I CA . 51991 1
249 . 1 . 1 39 39 ILE CG2 C 13 20.107 0.000 . . . . . . . 39 I CG2 . 51991 1
250 . 1 . 1 39 39 ILE N N 15 120.582 0.106 . . . . . . . 39 I N . 51991 1
251 . 1 . 1 40 40 SER H H 1 8.123 0.008 . . . . . . . 40 S H . 51991 1
252 . 1 . 1 40 40 SER HB2 H 1 3.973 0.000 . . . . . . . 40 S HB . 51991 1
253 . 1 . 1 40 40 SER HB3 H 1 3.973 0.000 . . . . . . . 40 S HB . 51991 1
254 . 1 . 1 40 40 SER C C 13 175.912 0.000 . . . . . . . 40 S C . 51991 1
255 . 1 . 1 40 40 SER CA C 13 63.054 0.014 . . . . . . . 40 S CA . 51991 1
256 . 1 . 1 40 40 SER CB C 13 63.507 0.062 . . . . . . . 40 S CB . 51991 1
257 . 1 . 1 40 40 SER N N 15 115.294 0.072 . . . . . . . 40 S N . 51991 1
258 . 1 . 1 41 41 SER H H 1 7.428 0.008 . . . . . . . 41 S H . 51991 1
259 . 1 . 1 41 41 SER HA H 1 4.288 0.000 . . . . . . . 41 S HA . 51991 1
260 . 1 . 1 41 41 SER HB2 H 1 3.978 0.007 . . . . . . . 41 S HB . 51991 1
261 . 1 . 1 41 41 SER HB3 H 1 3.978 0.007 . . . . . . . 41 S HB . 51991 1
262 . 1 . 1 41 41 SER C C 13 177.511 0.000 . . . . . . . 41 S C . 51991 1
263 . 1 . 1 41 41 SER CA C 13 62.155 0.052 . . . . . . . 41 S CA . 51991 1
264 . 1 . 1 41 41 SER CB C 13 63.196 0.000 . . . . . . . 41 S CB . 51991 1
265 . 1 . 1 41 41 SER N N 15 117.597 0.072 . . . . . . . 41 S N . 51991 1
266 . 1 . 1 42 42 HIS H H 1 8.665 0.003 . . . . . . . 42 H H . 51991 1
267 . 1 . 1 42 42 HIS C C 13 178.659 0.020 . . . . . . . 42 H C . 51991 1
268 . 1 . 1 42 42 HIS CA C 13 58.689 0.074 . . . . . . . 42 H CA . 51991 1
269 . 1 . 1 42 42 HIS CB C 13 31.617 0.002 . . . . . . . 42 H CB . 51991 1
270 . 1 . 1 42 42 HIS N N 15 122.669 0.025 . . . . . . . 42 H N . 51991 1
271 . 1 . 1 43 43 ALA H H 1 8.514 0.002 . . . . . . . 43 A H . 51991 1
272 . 1 . 1 43 43 ALA HA H 1 3.970 0.001 . . . . . . . 43 A HA . 51991 1
273 . 1 . 1 43 43 ALA HB1 H 1 1.574 0.007 . . . . . . . 43 A HB . 51991 1
274 . 1 . 1 43 43 ALA HB2 H 1 1.574 0.007 . . . . . . . 43 A HB . 51991 1
275 . 1 . 1 43 43 ALA HB3 H 1 1.574 0.007 . . . . . . . 43 A HB . 51991 1
276 . 1 . 1 43 43 ALA C C 13 178.230 0.008 . . . . . . . 43 A C . 51991 1
277 . 1 . 1 43 43 ALA CA C 13 56.581 0.074 . . . . . . . 43 A CA . 51991 1
278 . 1 . 1 43 43 ALA CB C 13 18.590 0.009 . . . . . . . 43 A CB . 51991 1
279 . 1 . 1 43 43 ALA N N 15 119.063 0.017 . . . . . . . 43 A N . 51991 1
280 . 1 . 1 44 44 SER H H 1 8.307 0.003 . . . . . . . 44 S H . 51991 1
281 . 1 . 1 44 44 SER HA H 1 4.318 0.000 . . . . . . . 44 S HA . 51991 1
282 . 1 . 1 44 44 SER HB2 H 1 3.881 0.000 . . . . . . . 44 S HB . 51991 1
283 . 1 . 1 44 44 SER HB3 H 1 3.881 0.000 . . . . . . . 44 S HB . 51991 1
284 . 1 . 1 44 44 SER C C 13 178.281 0.050 . . . . . . . 44 S C . 51991 1
285 . 1 . 1 44 44 SER CA C 13 62.175 0.030 . . . . . . . 44 S CA . 51991 1
286 . 1 . 1 44 44 SER CB C 13 63.560 0.000 . . . . . . . 44 S CB . 51991 1
287 . 1 . 1 44 44 SER N N 15 111.817 0.026 . . . . . . . 44 S N . 51991 1
288 . 1 . 1 45 45 THR H H 1 8.335 0.002 . . . . . . . 45 T H . 51991 1
289 . 1 . 1 45 45 THR HA H 1 4.228 0.000 . . . . . . . 45 T HA . 51991 1
290 . 1 . 1 45 45 THR C C 13 176.869 0.000 . . . . . . . 45 T C . 51991 1
291 . 1 . 1 45 45 THR CA C 13 67.685 0.098 . . . . . . . 45 T CA . 51991 1
292 . 1 . 1 45 45 THR CB C 13 69.179 0.000 . . . . . . . 45 T CB . 51991 1
293 . 1 . 1 45 45 THR N N 15 119.683 0.073 . . . . . . . 45 T N . 51991 1
294 . 1 . 1 46 46 LEU H H 1 8.396 0.003 . . . . . . . 46 L H . 51991 1
295 . 1 . 1 46 46 LEU HA H 1 3.890 0.003 . . . . . . . 46 L HA . 51991 1
296 . 1 . 1 46 46 LEU HB2 H 1 1.969 0.000 . . . . . . . 46 L HB . 51991 1
297 . 1 . 1 46 46 LEU HB3 H 1 1.969 0.000 . . . . . . . 46 L HB . 51991 1
298 . 1 . 1 46 46 LEU HG H 1 2.039 0.000 . . . . . . . 46 L HG . 51991 1
299 . 1 . 1 46 46 LEU C C 13 178.452 0.027 . . . . . . . 46 L C . 51991 1
300 . 1 . 1 46 46 LEU CA C 13 59.048 0.098 . . . . . . . 46 L CA . 51991 1
301 . 1 . 1 46 46 LEU CB C 13 42.755 0.094 . . . . . . . 46 L CB . 51991 1
302 . 1 . 1 46 46 LEU CG C 13 27.627 0.000 . . . . . . . 46 L CG . 51991 1
303 . 1 . 1 46 46 LEU CD1 C 13 20.197 0.000 . . . . . . . 46 L CD . 51991 1
304 . 1 . 1 46 46 LEU CD2 C 13 20.197 0.000 . . . . . . . 46 L CD . 51991 1
305 . 1 . 1 46 46 LEU N N 15 122.793 0.097 . . . . . . . 46 L N . 51991 1
306 . 1 . 1 47 47 LEU H H 1 8.300 0.009 . . . . . . . 47 L H . 51991 1
307 . 1 . 1 47 47 LEU HA H 1 4.113 0.000 . . . . . . . 47 L HA . 51991 1
308 . 1 . 1 47 47 LEU HB2 H 1 1.690 0.000 . . . . . . . 47 L HB . 51991 1
309 . 1 . 1 47 47 LEU HB3 H 1 1.690 0.000 . . . . . . . 47 L HB . 51991 1
310 . 1 . 1 47 47 LEU HG H 1 1.643 0.000 . . . . . . . 47 L HG . 51991 1
311 . 1 . 1 47 47 LEU C C 13 179.464 0.013 . . . . . . . 47 L C . 51991 1
312 . 1 . 1 47 47 LEU CA C 13 58.219 0.064 . . . . . . . 47 L CA . 51991 1
313 . 1 . 1 47 47 LEU CB C 13 43.040 0.076 . . . . . . . 47 L CB . 51991 1
314 . 1 . 1 47 47 LEU CG C 13 27.886 0.000 . . . . . . . 47 L CG . 51991 1
315 . 1 . 1 47 47 LEU CD1 C 13 19.074 0.000 . . . . . . . 47 L CD . 51991 1
316 . 1 . 1 47 47 LEU CD2 C 13 19.074 0.000 . . . . . . . 47 L CD . 51991 1
317 . 1 . 1 47 47 LEU N N 15 117.698 0.073 . . . . . . . 47 L N . 51991 1
318 . 1 . 1 48 48 SER H H 1 7.975 0.004 . . . . . . . 48 S H . 51991 1
319 . 1 . 1 48 48 SER HA H 1 4.331 0.000 . . . . . . . 48 S HA . 51991 1
320 . 1 . 1 48 48 SER HB2 H 1 4.030 0.006 . . . . . . . 48 S HB . 51991 1
321 . 1 . 1 48 48 SER HB3 H 1 4.030 0.006 . . . . . . . 48 S HB . 51991 1
322 . 1 . 1 48 48 SER C C 13 176.139 0.000 . . . . . . . 48 S C . 51991 1
323 . 1 . 1 48 48 SER CA C 13 61.737 0.023 . . . . . . . 48 S CA . 51991 1
324 . 1 . 1 48 48 SER CB C 13 64.144 0.031 . . . . . . . 48 S CB . 51991 1
325 . 1 . 1 48 48 SER N N 15 113.174 0.064 . . . . . . . 48 S N . 51991 1
326 . 1 . 1 49 49 SER H H 1 7.904 0.004 . . . . . . . 49 S H . 51991 1
327 . 1 . 1 49 49 SER HA H 1 4.594 0.000 . . . . . . . 49 S HA . 51991 1
328 . 1 . 1 49 49 SER HB2 H 1 3.907 0.012 . . . . . . . 49 S HB2 . 51991 1
329 . 1 . 1 49 49 SER HB3 H 1 3.803 0.021 . . . . . . . 49 S HB3 . 51991 1
330 . 1 . 1 49 49 SER C C 13 174.072 0.014 . . . . . . . 49 S C . 51991 1
331 . 1 . 1 49 49 SER CA C 13 60.536 0.031 . . . . . . . 49 S CA . 51991 1
332 . 1 . 1 49 49 SER CB C 13 65.356 0.083 . . . . . . . 49 S CB . 51991 1
333 . 1 . 1 49 49 SER N N 15 114.429 0.064 . . . . . . . 49 S N . 51991 1
334 . 1 . 1 50 50 GLY H H 1 7.670 0.006 . . . . . . . 50 G H . 51991 1
335 . 1 . 1 50 50 GLY C C 13 172.887 0.000 . . . . . . . 50 G C . 51991 1
336 . 1 . 1 50 50 GLY CA C 13 44.573 0.000 . . . . . . . 50 G CA . 51991 1
337 . 1 . 1 50 50 GLY N N 15 112.022 0.074 . . . . . . . 50 G N . 51991 1
338 . 1 . 1 52 52 THR HA H 1 4.546 0.003 . . . . . . . 52 T HA . 51991 1
339 . 1 . 1 52 52 THR HG21 H 1 1.694 0.000 . . . . . . . 52 T HG . 51991 1
340 . 1 . 1 52 52 THR HG22 H 1 1.694 0.000 . . . . . . . 52 T HG . 51991 1
341 . 1 . 1 52 52 THR HG23 H 1 1.694 0.000 . . . . . . . 52 T HG . 51991 1
342 . 1 . 1 52 52 THR C C 13 173.250 0.000 . . . . . . . 52 T C . 51991 1
343 . 1 . 1 52 52 THR CA C 13 61.064 0.106 . . . . . . . 52 T CA . 51991 1
344 . 1 . 1 52 52 THR CB C 13 69.125 0.000 . . . . . . . 52 T CB . 51991 1
345 . 1 . 1 53 53 ASN H H 1 7.463 0.006 . . . . . . . 53 N H . 51991 1
346 . 1 . 1 53 53 ASN HA H 1 4.808 0.000 . . . . . . . 53 N HA . 51991 1
347 . 1 . 1 53 53 ASN HB2 H 1 3.043 0.000 . . . . . . . 53 N HB2 . 51991 1
348 . 1 . 1 53 53 ASN HB3 H 1 2.731 0.000 . . . . . . . 53 N HB3 . 51991 1
349 . 1 . 1 53 53 ASN C C 13 174.709 0.012 . . . . . . . 53 N C . 51991 1
350 . 1 . 1 53 53 ASN CA C 13 53.267 0.009 . . . . . . . 53 N CA . 51991 1
351 . 1 . 1 53 53 ASN CB C 13 40.860 0.078 . . . . . . . 53 N CB . 51991 1
352 . 1 . 1 53 53 ASN CG C 13 180.610 0.027 . . . . . . . 53 N CG . 51991 1
353 . 1 . 1 53 53 ASN N N 15 120.660 0.026 . . . . . . . 53 N N . 51991 1
354 . 1 . 1 54 54 ALA H H 1 8.872 0.005 . . . . . . . 54 A H . 51991 1
355 . 1 . 1 54 54 ALA HA H 1 4.012 0.015 . . . . . . . 54 A HA . 51991 1
356 . 1 . 1 54 54 ALA HB1 H 1 1.414 0.002 . . . . . . . 54 A HB . 51991 1
357 . 1 . 1 54 54 ALA HB2 H 1 1.414 0.002 . . . . . . . 54 A HB . 51991 1
358 . 1 . 1 54 54 ALA HB3 H 1 1.414 0.002 . . . . . . . 54 A HB . 51991 1
359 . 1 . 1 54 54 ALA C C 13 179.419 0.037 . . . . . . . 54 A C . 51991 1
360 . 1 . 1 54 54 ALA CA C 13 55.718 0.018 . . . . . . . 54 A CA . 51991 1
361 . 1 . 1 54 54 ALA CB C 13 19.550 0.027 . . . . . . . 54 A CB . 51991 1
362 . 1 . 1 54 54 ALA N N 15 128.390 0.043 . . . . . . . 54 A N . 51991 1
363 . 1 . 1 55 55 ALA H H 1 8.212 0.004 . . . . . . . 55 A H . 51991 1
364 . 1 . 1 55 55 ALA HA H 1 4.067 0.008 . . . . . . . 55 A HA . 51991 1
365 . 1 . 1 55 55 ALA HB1 H 1 1.468 0.007 . . . . . . . 55 A HB . 51991 1
366 . 1 . 1 55 55 ALA HB2 H 1 1.468 0.007 . . . . . . . 55 A HB . 51991 1
367 . 1 . 1 55 55 ALA HB3 H 1 1.468 0.007 . . . . . . . 55 A HB . 51991 1
368 . 1 . 1 55 55 ALA C C 13 180.113 0.010 . . . . . . . 55 A C . 51991 1
369 . 1 . 1 55 55 ALA CA C 13 55.886 0.053 . . . . . . . 55 A CA . 51991 1
370 . 1 . 1 55 55 ALA CB C 13 18.636 0.025 . . . . . . . 55 A CB . 51991 1
371 . 1 . 1 55 55 ALA N N 15 121.056 0.076 . . . . . . . 55 A N . 51991 1
372 . 1 . 1 56 56 ALA H H 1 7.777 0.003 . . . . . . . 56 A H . 51991 1
373 . 1 . 1 56 56 ALA HA H 1 4.152 0.003 . . . . . . . 56 A HA . 51991 1
374 . 1 . 1 56 56 ALA HB1 H 1 1.476 0.004 . . . . . . . 56 A HB . 51991 1
375 . 1 . 1 56 56 ALA HB2 H 1 1.476 0.004 . . . . . . . 56 A HB . 51991 1
376 . 1 . 1 56 56 ALA HB3 H 1 1.476 0.004 . . . . . . . 56 A HB . 51991 1
377 . 1 . 1 56 56 ALA C C 13 179.933 0.001 . . . . . . . 56 A C . 51991 1
378 . 1 . 1 56 56 ALA CA C 13 55.360 0.044 . . . . . . . 56 A CA . 51991 1
379 . 1 . 1 56 56 ALA CB C 13 20.244 0.034 . . . . . . . 56 A CB . 51991 1
380 . 1 . 1 56 56 ALA N N 15 121.761 0.038 . . . . . . . 56 A N . 51991 1
381 . 1 . 1 57 57 LEU H H 1 8.314 0.003 . . . . . . . 57 L H . 51991 1
382 . 1 . 1 57 57 LEU HA H 1 3.944 0.005 . . . . . . . 57 L HA . 51991 1
383 . 1 . 1 57 57 LEU HB2 H 1 2.028 0.000 . . . . . . . 57 L HB . 51991 1
384 . 1 . 1 57 57 LEU HB3 H 1 2.028 0.000 . . . . . . . 57 L HB . 51991 1
385 . 1 . 1 57 57 LEU HG H 1 1.592 0.000 . . . . . . . 57 L HG . 51991 1
386 . 1 . 1 57 57 LEU C C 13 178.877 0.031 . . . . . . . 57 L C . 51991 1
387 . 1 . 1 57 57 LEU CA C 13 58.799 0.056 . . . . . . . 57 L CA . 51991 1
388 . 1 . 1 57 57 LEU CB C 13 41.581 0.016 . . . . . . . 57 L CB . 51991 1
389 . 1 . 1 57 57 LEU CD1 C 13 21.787 0.000 . . . . . . . 57 L CD . 51991 1
390 . 1 . 1 57 57 LEU CD2 C 13 21.787 0.000 . . . . . . . 57 L CD . 51991 1
391 . 1 . 1 57 57 LEU N N 15 118.651 0.024 . . . . . . . 57 L N . 51991 1
392 . 1 . 1 58 58 SER H H 1 8.551 0.005 . . . . . . . 58 S H . 51991 1
393 . 1 . 1 58 58 SER HA H 1 4.460 0.000 . . . . . . . 58 S HA . 51991 1
394 . 1 . 1 58 58 SER HB2 H 1 3.978 0.002 . . . . . . . 58 S HB . 51991 1
395 . 1 . 1 58 58 SER HB3 H 1 3.978 0.002 . . . . . . . 58 S HB . 51991 1
396 . 1 . 1 58 58 SER C C 13 176.358 0.000 . . . . . . . 58 S C . 51991 1
397 . 1 . 1 58 58 SER CA C 13 62.939 0.066 . . . . . . . 58 S CA . 51991 1
398 . 1 . 1 58 58 SER CB C 13 64.403 0.062 . . . . . . . 58 S CB . 51991 1
399 . 1 . 1 58 58 SER N N 15 113.404 0.034 . . . . . . . 58 S N . 51991 1
400 . 1 . 1 59 59 ASN H H 1 7.603 0.003 . . . . . . . 59 N H . 51991 1
401 . 1 . 1 59 59 ASN HA H 1 3.987 0.011 . . . . . . . 59 N HA . 51991 1
402 . 1 . 1 59 59 ASN HB2 H 1 2.949 0.043 . . . . . . . 59 N HB2 . 51991 1
403 . 1 . 1 59 59 ASN HB3 H 1 2.970 0.000 . . . . . . . 59 N HB3 . 51991 1
404 . 1 . 1 59 59 ASN C C 13 177.486 0.017 . . . . . . . 59 N C . 51991 1
405 . 1 . 1 59 59 ASN CA C 13 57.271 0.098 . . . . . . . 59 N CA . 51991 1
406 . 1 . 1 59 59 ASN CB C 13 39.456 0.073 . . . . . . . 59 N CB . 51991 1
407 . 1 . 1 59 59 ASN CG C 13 181.849 0.008 . . . . . . . 59 N CG . 51991 1
408 . 1 . 1 59 59 ASN N N 15 120.191 0.028 . . . . . . . 59 N N . 51991 1
409 . 1 . 1 60 60 VAL H H 1 8.206 0.004 . . . . . . . 60 V H . 51991 1
410 . 1 . 1 60 60 VAL HA H 1 3.840 0.010 . . . . . . . 60 V HA . 51991 1
411 . 1 . 1 60 60 VAL HB H 1 1.418 0.000 . . . . . . . 60 V HB . 51991 1
412 . 1 . 1 60 60 VAL HG11 H 1 0.931 0.000 . . . . . . . 60 V HG1# . 51991 1
413 . 1 . 1 60 60 VAL HG12 H 1 0.931 0.000 . . . . . . . 60 V HG1# . 51991 1
414 . 1 . 1 60 60 VAL HG13 H 1 0.931 0.000 . . . . . . . 60 V HG1# . 51991 1
415 . 1 . 1 60 60 VAL HG21 H 1 0.931 0.000 . . . . . . . 60 V HG2# . 51991 1
416 . 1 . 1 60 60 VAL HG22 H 1 0.931 0.000 . . . . . . . 60 V HG2# . 51991 1
417 . 1 . 1 60 60 VAL HG23 H 1 0.931 0.000 . . . . . . . 60 V HG2# . 51991 1
418 . 1 . 1 60 60 VAL C C 13 177.803 0.042 . . . . . . . 60 V C . 51991 1
419 . 1 . 1 60 60 VAL CA C 13 67.269 0.008 . . . . . . . 60 V CA . 51991 1
420 . 1 . 1 60 60 VAL CB C 13 32.024 0.000 . . . . . . . 60 V CB . 51991 1
421 . 1 . 1 60 60 VAL CG1 C 13 19.933 0.000 . . . . . . . 60 V CG1 . 51991 1
422 . 1 . 1 60 60 VAL CG2 C 13 19.933 0.000 . . . . . . . 60 V CG2 . 51991 1
423 . 1 . 1 60 60 VAL N N 15 119.351 0.080 . . . . . . . 60 V N . 51991 1
424 . 1 . 1 61 61 ILE H H 1 8.422 0.007 . . . . . . . 61 I H . 51991 1
425 . 1 . 1 61 61 ILE HA H 1 3.345 0.009 . . . . . . . 61 I HA . 51991 1
426 . 1 . 1 61 61 ILE HB H 1 1.712 0.000 . . . . . . . 61 I HB . 51991 1
427 . 1 . 1 61 61 ILE HG12 H 1 2.085 0.000 . . . . . . . 61 I HG1# . 51991 1
428 . 1 . 1 61 61 ILE HG13 H 1 2.085 0.000 . . . . . . . 61 I HG1# . 51991 1
429 . 1 . 1 61 61 ILE HG21 H 1 0.936 0.000 . . . . . . . 61 I HG2 . 51991 1
430 . 1 . 1 61 61 ILE HG22 H 1 0.936 0.000 . . . . . . . 61 I HG2 . 51991 1
431 . 1 . 1 61 61 ILE HG23 H 1 0.936 0.000 . . . . . . . 61 I HG2 . 51991 1
432 . 1 . 1 61 61 ILE C C 13 177.230 0.048 . . . . . . . 61 I C . 51991 1
433 . 1 . 1 61 61 ILE CA C 13 67.377 0.061 . . . . . . . 61 I CA . 51991 1
434 . 1 . 1 61 61 ILE CB C 13 41.602 0.012 . . . . . . . 61 I CB . 51991 1
435 . 1 . 1 61 61 ILE CG1 C 13 33.970 0.000 . . . . . . . 61 I CG1 . 51991 1
436 . 1 . 1 61 61 ILE CG2 C 13 25.651 0.000 . . . . . . . 61 I CG2 . 51991 1
437 . 1 . 1 61 61 ILE N N 15 120.278 0.075 . . . . . . . 61 I N . 51991 1
438 . 1 . 1 62 62 SER H H 1 8.510 0.010 . . . . . . . 62 S H . 51991 1
439 . 1 . 1 62 62 SER HA H 1 4.032 0.007 . . . . . . . 62 S HA . 51991 1
440 . 1 . 1 62 62 SER HB2 H 1 3.747 0.000 . . . . . . . 62 S HB . 51991 1
441 . 1 . 1 62 62 SER HB3 H 1 3.747 0.000 . . . . . . . 62 S HB . 51991 1
442 . 1 . 1 62 62 SER C C 13 177.732 0.000 . . . . . . . 62 S C . 51991 1
443 . 1 . 1 62 62 SER CA C 13 62.822 0.006 . . . . . . . 62 S CA . 51991 1
444 . 1 . 1 62 62 SER CB C 13 63.510 0.062 . . . . . . . 62 S CB . 51991 1
445 . 1 . 1 62 62 SER N N 15 113.368 0.037 . . . . . . . 62 S N . 51991 1
446 . 1 . 1 63 63 ASN H H 1 8.572 0.002 . . . . . . . 63 N H . 51991 1
447 . 1 . 1 63 63 ASN HA H 1 4.538 0.000 . . . . . . . 63 N HA . 51991 1
448 . 1 . 1 63 63 ASN HB2 H 1 2.798 0.007 . . . . . . . 63 N HB2 . 51991 1
449 . 1 . 1 63 63 ASN HB3 H 1 3.040 0.000 . . . . . . . 63 N HB3 . 51991 1
450 . 1 . 1 63 63 ASN C C 13 177.045 0.001 . . . . . . . 63 N C . 51991 1
451 . 1 . 1 63 63 ASN CA C 13 57.089 0.045 . . . . . . . 63 N CA . 51991 1
452 . 1 . 1 63 63 ASN CB C 13 39.486 0.064 . . . . . . . 63 N CB . 51991 1
453 . 1 . 1 63 63 ASN CG C 13 181.668 0.002 . . . . . . . 63 N CG . 51991 1
454 . 1 . 1 63 63 ASN N N 15 120.314 0.072 . . . . . . . 63 N N . 51991 1
455 . 1 . 1 64 64 ALA H H 1 8.706 0.004 . . . . . . . 64 A H . 51991 1
456 . 1 . 1 64 64 ALA HA H 1 4.372 0.000 . . . . . . . 64 A HA . 51991 1
457 . 1 . 1 64 64 ALA HB1 H 1 1.305 0.004 . . . . . . . 64 A HB . 51991 1
458 . 1 . 1 64 64 ALA HB2 H 1 1.305 0.004 . . . . . . . 64 A HB . 51991 1
459 . 1 . 1 64 64 ALA HB3 H 1 1.305 0.004 . . . . . . . 64 A HB . 51991 1
460 . 1 . 1 64 64 ALA C C 13 179.212 0.018 . . . . . . . 64 A C . 51991 1
461 . 1 . 1 64 64 ALA CA C 13 56.708 0.058 . . . . . . . 64 A CA . 51991 1
462 . 1 . 1 64 64 ALA CB C 13 19.510 0.003 . . . . . . . 64 A CB . 51991 1
463 . 1 . 1 64 64 ALA N N 15 122.061 0.079 . . . . . . . 64 A N . 51991 1
464 . 1 . 1 65 65 VAL H H 1 8.520 0.008 . . . . . . . 65 V H . 51991 1
465 . 1 . 1 65 65 VAL HA H 1 3.285 0.001 . . . . . . . 65 V HA . 51991 1
466 . 1 . 1 65 65 VAL HB H 1 1.455 0.000 . . . . . . . 65 V HB . 51991 1
467 . 1 . 1 65 65 VAL HG11 H 1 0.651 0.000 . . . . . . . 65 V HG . 51991 1
468 . 1 . 1 65 65 VAL HG12 H 1 0.651 0.000 . . . . . . . 65 V HG . 51991 1
469 . 1 . 1 65 65 VAL HG13 H 1 0.651 0.000 . . . . . . . 65 V HG . 51991 1
470 . 1 . 1 65 65 VAL HG21 H 1 0.651 0.000 . . . . . . . 65 V HG . 51991 1
471 . 1 . 1 65 65 VAL HG22 H 1 0.651 0.000 . . . . . . . 65 V HG . 51991 1
472 . 1 . 1 65 65 VAL HG23 H 1 0.651 0.000 . . . . . . . 65 V HG . 51991 1
473 . 1 . 1 65 65 VAL C C 13 178.295 0.038 . . . . . . . 65 V C . 51991 1
474 . 1 . 1 65 65 VAL CA C 13 67.891 0.040 . . . . . . . 65 V CA . 51991 1
475 . 1 . 1 65 65 VAL N N 15 116.536 0.050 . . . . . . . 65 V N . 51991 1
476 . 1 . 1 66 66 SER H H 1 8.296 0.011 . . . . . . . 66 S H . 51991 1
477 . 1 . 1 66 66 SER HA H 1 4.404 0.000 . . . . . . . 66 S HA . 51991 1
478 . 1 . 1 66 66 SER HB2 H 1 4.080 0.000 . . . . . . . 66 S HB . 51991 1
479 . 1 . 1 66 66 SER HB3 H 1 4.080 0.000 . . . . . . . 66 S HB . 51991 1
480 . 1 . 1 66 66 SER C C 13 177.687 0.000 . . . . . . . 66 S C . 51991 1
481 . 1 . 1 66 66 SER CA C 13 62.760 0.058 . . . . . . . 66 S CA . 51991 1
482 . 1 . 1 66 66 SER CB C 13 63.580 0.066 . . . . . . . 66 S CB . 51991 1
483 . 1 . 1 66 66 SER N N 15 115.376 0.044 . . . . . . . 66 S N . 51991 1
484 . 1 . 1 67 67 GLN H H 1 8.480 0.008 . . . . . . . 67 Q H . 51991 1
485 . 1 . 1 67 67 GLN HA H 1 4.157 0.006 . . . . . . . 67 Q HA . 51991 1
486 . 1 . 1 67 67 GLN HG2 H 1 2.683 0.000 . . . . . . . 67 Q HG2 . 51991 1
487 . 1 . 1 67 67 GLN HG3 H 1 2.603 0.000 . . . . . . . 67 Q HG3 . 51991 1
488 . 1 . 1 67 67 GLN C C 13 179.841 0.018 . . . . . . . 67 Q C . 51991 1
489 . 1 . 1 67 67 GLN CA C 13 59.709 0.036 . . . . . . . 67 Q CA . 51991 1
490 . 1 . 1 67 67 GLN CB C 13 29.945 0.000 . . . . . . . 67 Q CB . 51991 1
491 . 1 . 1 67 67 GLN CG C 13 35.579 0.000 . . . . . . . 67 Q CG . 51991 1
492 . 1 . 1 67 67 GLN CD C 13 177.706 0.014 . . . . . . . 67 Q CD . 51991 1
493 . 1 . 1 67 67 GLN N N 15 119.700 0.074 . . . . . . . 67 Q N . 51991 1
494 . 1 . 1 68 68 VAL H H 1 8.621 0.004 . . . . . . . 68 V H . 51991 1
495 . 1 . 1 68 68 VAL HA H 1 3.500 0.004 . . . . . . . 68 V HA . 51991 1
496 . 1 . 1 68 68 VAL HB H 1 2.326 0.000 . . . . . . . 68 V HB . 51991 1
497 . 1 . 1 68 68 VAL HG11 H 1 1.286 0.000 . . . . . . . 68 V HG1# . 51991 1
498 . 1 . 1 68 68 VAL HG12 H 1 1.286 0.000 . . . . . . . 68 V HG1# . 51991 1
499 . 1 . 1 68 68 VAL HG13 H 1 1.286 0.000 . . . . . . . 68 V HG1# . 51991 1
500 . 1 . 1 68 68 VAL HG21 H 1 1.286 0.000 . . . . . . . 68 V HG2# . 51991 1
501 . 1 . 1 68 68 VAL HG22 H 1 1.286 0.000 . . . . . . . 68 V HG2# . 51991 1
502 . 1 . 1 68 68 VAL HG23 H 1 1.286 0.000 . . . . . . . 68 V HG2# . 51991 1
503 . 1 . 1 68 68 VAL C C 13 178.980 0.009 . . . . . . . 68 V C . 51991 1
504 . 1 . 1 68 68 VAL CA C 13 68.010 0.050 . . . . . . . 68 V CA . 51991 1
505 . 1 . 1 68 68 VAL CB C 13 33.037 0.000 . . . . . . . 68 V CB . 51991 1
506 . 1 . 1 68 68 VAL CG1 C 13 25.082 0.000 . . . . . . . 68 V CG1 . 51991 1
507 . 1 . 1 68 68 VAL CG2 C 13 25.082 0.000 . . . . . . . 68 V CG2 . 51991 1
508 . 1 . 1 68 68 VAL N N 15 121.938 0.049 . . . . . . . 68 V N . 51991 1
509 . 1 . 1 69 69 SER H H 1 8.336 0.006 . . . . . . . 69 S H . 51991 1
510 . 1 . 1 69 69 SER HA H 1 3.995 0.000 . . . . . . . 69 S HA . 51991 1
511 . 1 . 1 69 69 SER HB2 H 1 3.951 0.000 . . . . . . . 69 S HB . 51991 1
512 . 1 . 1 69 69 SER HB3 H 1 3.951 0.000 . . . . . . . 69 S HB . 51991 1
513 . 1 . 1 69 69 SER C C 13 176.837 0.001 . . . . . . . 69 S C . 51991 1
514 . 1 . 1 69 69 SER CA C 13 62.605 0.042 . . . . . . . 69 S CA . 51991 1
515 . 1 . 1 69 69 SER CB C 13 63.648 0.024 . . . . . . . 69 S CB . 51991 1
516 . 1 . 1 69 69 SER N N 15 114.830 0.099 . . . . . . . 69 S N . 51991 1
517 . 1 . 1 70 70 ALA H H 1 7.771 0.005 . . . . . . . 70 A H . 51991 1
518 . 1 . 1 70 70 ALA HA H 1 4.109 0.006 . . . . . . . 70 A HA . 51991 1
519 . 1 . 1 70 70 ALA HB1 H 1 1.484 0.001 . . . . . . . 70 A HB . 51991 1
520 . 1 . 1 70 70 ALA HB2 H 1 1.484 0.001 . . . . . . . 70 A HB . 51991 1
521 . 1 . 1 70 70 ALA HB3 H 1 1.484 0.001 . . . . . . . 70 A HB . 51991 1
522 . 1 . 1 70 70 ALA C C 13 179.289 0.012 . . . . . . . 70 A C . 51991 1
523 . 1 . 1 70 70 ALA CA C 13 55.192 0.044 . . . . . . . 70 A CA . 51991 1
524 . 1 . 1 70 70 ALA CB C 13 19.237 0.035 . . . . . . . 70 A CB . 51991 1
525 . 1 . 1 70 70 ALA N N 15 120.462 0.050 . . . . . . . 70 A N . 51991 1
526 . 1 . 1 71 71 SER H H 1 7.540 0.004 . . . . . . . 71 S H . 51991 1
527 . 1 . 1 71 71 SER HA H 1 4.384 0.000 . . . . . . . 71 S HA . 51991 1
528 . 1 . 1 71 71 SER HB2 H 1 3.990 0.009 . . . . . . . 71 S HB . 51991 1
529 . 1 . 1 71 71 SER HB3 H 1 3.990 0.009 . . . . . . . 71 S HB . 51991 1
530 . 1 . 1 71 71 SER C C 13 173.703 0.031 . . . . . . . 71 S C . 51991 1
531 . 1 . 1 71 71 SER CA C 13 60.511 0.040 . . . . . . . 71 S CA . 51991 1
532 . 1 . 1 71 71 SER CB C 13 65.060 0.017 . . . . . . . 71 S CB . 51991 1
533 . 1 . 1 71 71 SER N N 15 110.461 0.033 . . . . . . . 71 S N . 51991 1
534 . 1 . 1 72 72 ASN H H 1 7.516 0.004 . . . . . . . 72 N H . 51991 1
535 . 1 . 1 72 72 ASN C C 13 172.048 0.000 . . . . . . . 72 N C . 51991 1
536 . 1 . 1 72 72 ASN CA C 13 52.156 0.000 . . . . . . . 72 N CA . 51991 1
537 . 1 . 1 72 72 ASN N N 15 118.865 0.042 . . . . . . . 72 N N . 51991 1
538 . 1 . 1 73 73 PRO HA H 1 4.085 0.006 . . . . . . . 73 P HA . 51991 1
539 . 1 . 1 73 73 PRO HG2 H 1 1.973 0.000 . . . . . . . 73 P HG . 51991 1
540 . 1 . 1 73 73 PRO HG3 H 1 1.973 0.000 . . . . . . . 73 P HG . 51991 1
541 . 1 . 1 73 73 PRO C C 13 176.550 0.005 . . . . . . . 73 P C . 51991 1
542 . 1 . 1 73 73 PRO CA C 13 63.990 0.037 . . . . . . . 73 P CA . 51991 1
543 . 1 . 1 73 73 PRO CB C 13 33.326 0.023 . . . . . . . 73 P CB . 51991 1
544 . 1 . 1 73 73 PRO CG C 13 22.056 0.000 . . . . . . . 73 P CG . 51991 1
545 . 1 . 1 74 74 GLY H H 1 7.779 0.005 . . . . . . . 74 G H . 51991 1
546 . 1 . 1 74 74 GLY HA2 H 1 3.689 0.014 . . . . . . . 74 G HA . 51991 1
547 . 1 . 1 74 74 GLY HA3 H 1 3.689 0.014 . . . . . . . 74 G HA . 51991 1
548 . 1 . 1 74 74 GLY C C 13 172.498 0.019 . . . . . . . 74 G C . 51991 1
549 . 1 . 1 74 74 GLY CA C 13 45.169 0.069 . . . . . . . 74 G CA . 51991 1
550 . 1 . 1 74 74 GLY N N 15 116.055 0.059 . . . . . . . 74 G N . 51991 1
551 . 1 . 1 75 75 SER H H 1 8.221 0.006 . . . . . . . 75 S H . 51991 1
552 . 1 . 1 75 75 SER N N 15 120.567 0.046 . . . . . . . 75 S N . 51991 1
553 . 1 . 1 77 77 SER HA H 1 4.493 0.000 . . . . . . . 77 S HA . 51991 1
554 . 1 . 1 77 77 SER HB2 H 1 3.942 0.000 . . . . . . . 77 S HB . 51991 1
555 . 1 . 1 77 77 SER HB3 H 1 3.942 0.000 . . . . . . . 77 S HB . 51991 1
556 . 1 . 1 77 77 SER C C 13 176.519 0.027 . . . . . . . 77 S C . 51991 1
557 . 1 . 1 77 77 SER CA C 13 64.230 0.072 . . . . . . . 77 S CA . 51991 1
558 . 1 . 1 77 77 SER CB C 13 64.198 0.000 . . . . . . . 77 S CB . 51991 1
559 . 1 . 1 78 78 CYS H H 1 8.022 0.013 . . . . . . . 78 C H . 51991 1
560 . 1 . 1 78 78 CYS HA H 1 4.696 0.000 . . . . . . . 78 C HA . 51991 1
561 . 1 . 1 78 78 CYS HB2 H 1 3.080 0.000 . . . . . . . 78 C HB . 51991 1
562 . 1 . 1 78 78 CYS HB3 H 1 3.080 0.000 . . . . . . . 78 C C . 51991 1
563 . 1 . 1 78 78 CYS CA C 13 60.740 0.063 . . . . . . . 78 C CA . 51991 1
564 . 1 . 1 78 78 CYS CB C 13 44.147 0.000 . . . . . . . 78 C CB . 51991 1
565 . 1 . 1 78 78 CYS N N 15 121.793 0.090 . . . . . . . 78 C N . 51991 1
566 . 1 . 1 79 79 ASP H H 1 7.699 0.006 . . . . . . . 79 D H . 51991 1
567 . 1 . 1 79 79 ASP HA H 1 3.872 0.005 . . . . . . . 79 D HA . 51991 1
568 . 1 . 1 79 79 ASP HB2 H 1 2.849 0.004 . . . . . . . 79 D HB2 . 51991 1
569 . 1 . 1 79 79 ASP HB3 H 1 2.634 0.000 . . . . . . . 79 D HB3 . 51991 1
570 . 1 . 1 79 79 ASP C C 13 179.244 0.025 . . . . . . . 79 D C . 51991 1
571 . 1 . 1 79 79 ASP CA C 13 58.782 0.014 . . . . . . . 79 D CA . 51991 1
572 . 1 . 1 79 79 ASP CB C 13 40.977 0.030 . . . . . . . 79 D CB . 51991 1
573 . 1 . 1 79 79 ASP CG C 13 179.579 0.000 . . . . . . . 79 D CG . 51991 1
574 . 1 . 1 79 79 ASP N N 15 119.568 0.062 . . . . . . . 79 D N . 51991 1
575 . 1 . 1 80 80 VAL H H 1 7.924 0.007 . . . . . . . 80 V H . 51991 1
576 . 1 . 1 80 80 VAL HA H 1 3.570 0.000 . . . . . . . 80 V HA . 51991 1
577 . 1 . 1 80 80 VAL HB H 1 2.197 0.000 . . . . . . . 80 V HB . 51991 1
578 . 1 . 1 80 80 VAL C C 13 177.053 0.003 . . . . . . . 80 V C . 51991 1
579 . 1 . 1 80 80 VAL CA C 13 66.613 0.058 . . . . . . . 80 V CA . 51991 1
580 . 1 . 1 80 80 VAL CB C 13 32.798 0.000 . . . . . . . 80 V CB . 51991 1
581 . 1 . 1 80 80 VAL N N 15 119.479 0.072 . . . . . . . 80 V N . 51991 1
582 . 1 . 1 81 81 LEU H H 1 7.762 0.009 . . . . . . . 81 L H . 51991 1
583 . 1 . 1 81 81 LEU HA H 1 4.003 0.000 . . . . . . . 81 L HA . 51991 1
584 . 1 . 1 81 81 LEU HB2 H 1 1.694 0.000 . . . . . . . 81 L HB . 51991 1
585 . 1 . 1 81 81 LEU HB3 H 1 1.694 0.000 . . . . . . . 81 L HB . 51991 1
586 . 1 . 1 81 81 LEU HG H 1 1.741 0.000 . . . . . . . 81 L HG . 51991 1
587 . 1 . 1 81 81 LEU HD11 H 1 0.874 0.000 . . . . . . . 81 L HD . 51991 1
588 . 1 . 1 81 81 LEU HD12 H 1 0.874 0.000 . . . . . . . 81 L HD . 51991 1
589 . 1 . 1 81 81 LEU HD13 H 1 0.874 0.000 . . . . . . . 81 L HD . 51991 1
590 . 1 . 1 81 81 LEU HD21 H 1 0.874 0.000 . . . . . . . 81 L HD . 51991 1
591 . 1 . 1 81 81 LEU HD22 H 1 0.874 0.000 . . . . . . . 81 L HD . 51991 1
592 . 1 . 1 81 81 LEU HD23 H 1 0.874 0.000 . . . . . . . 81 L HD . 51991 1
593 . 1 . 1 81 81 LEU C C 13 178.147 0.004 . . . . . . . 81 L C . 51991 1
594 . 1 . 1 81 81 LEU CA C 13 58.809 0.052 . . . . . . . 81 L CA . 51991 1
595 . 1 . 1 81 81 LEU CB C 13 42.878 0.000 . . . . . . . 81 L CB . 51991 1
596 . 1 . 1 81 81 LEU N N 15 119.162 0.054 . . . . . . . 81 L N . 51991 1
597 . 1 . 1 82 82 VAL H H 1 8.535 0.009 . . . . . . . 82 V H . 51991 1
598 . 1 . 1 82 82 VAL HA H 1 3.318 0.000 . . . . . . . 82 V HA . 51991 1
599 . 1 . 1 82 82 VAL C C 13 177.392 0.002 . . . . . . . 82 V C . 51991 1
600 . 1 . 1 82 82 VAL CA C 13 68.480 0.074 . . . . . . . 82 V CA . 51991 1
601 . 1 . 1 82 82 VAL N N 15 117.549 0.081 . . . . . . . 82 V N . 51991 1
602 . 1 . 1 83 83 GLN H H 1 7.905 0.003 . . . . . . . 83 Q H . 51991 1
603 . 1 . 1 83 83 GLN HA H 1 4.047 0.000 . . . . . . . 83 Q HA . 51991 1
604 . 1 . 1 83 83 GLN HG2 H 1 2.237 0.000 . . . . . . . 83 Q HG . 51991 1
605 . 1 . 1 83 83 GLN HG3 H 1 2.237 0.000 . . . . . . . 83 Q HG . 51991 1
606 . 1 . 1 83 83 GLN C C 13 177.995 0.007 . . . . . . . 83 Q C . 51991 1
607 . 1 . 1 83 83 GLN CA C 13 61.271 0.062 . . . . . . . 83 Q CA . 51991 1
608 . 1 . 1 83 83 GLN CB C 13 28.321 0.000 . . . . . . . 83 Q CB . 51991 1
609 . 1 . 1 83 83 GLN CG C 13 34.414 0.000 . . . . . . . 83 Q CG . 51991 1
610 . 1 . 1 83 83 GLN CD C 13 177.383 0.000 . . . . . . . 83 Q CD . 51991 1
611 . 1 . 1 83 83 GLN N N 15 117.061 0.036 . . . . . . . 83 Q N . 51991 1
612 . 1 . 1 84 84 ALA H H 1 8.599 0.007 . . . . . . . 84 A H . 51991 1
613 . 1 . 1 84 84 ALA HA H 1 3.784 0.007 . . . . . . . 84 A HA . 51991 1
614 . 1 . 1 84 84 ALA HB1 H 1 1.348 0.001 . . . . . . . 84 A HB . 51991 1
615 . 1 . 1 84 84 ALA HB2 H 1 1.348 0.001 . . . . . . . 84 A HB . 51991 1
616 . 1 . 1 84 84 ALA HB3 H 1 1.348 0.001 . . . . . . . 84 A HB . 51991 1
617 . 1 . 1 84 84 ALA C C 13 179.306 0.035 . . . . . . . 84 A C . 51991 1
618 . 1 . 1 84 84 ALA CA C 13 56.712 0.037 . . . . . . . 84 A CA . 51991 1
619 . 1 . 1 84 84 ALA CB C 13 19.480 0.002 . . . . . . . 84 A CB . 51991 1
620 . 1 . 1 84 84 ALA N N 15 120.289 0.089 . . . . . . . 84 A N . 51991 1
621 . 1 . 1 85 85 LEU H H 1 8.458 0.007 . . . . . . . 85 L H . 51991 1
622 . 1 . 1 85 85 LEU HA H 1 3.962 0.000 . . . . . . . 85 L HA . 51991 1
623 . 1 . 1 85 85 LEU C C 13 179.838 0.003 . . . . . . . 85 L C . 51991 1
624 . 1 . 1 85 85 LEU CA C 13 58.801 0.087 . . . . . . . 85 L CA . 51991 1
625 . 1 . 1 85 85 LEU CB C 13 41.573 0.000 . . . . . . . 85 L CB . 51991 1
626 . 1 . 1 85 85 LEU CD1 C 13 20.063 0.000 . . . . . . . 85 L CD . 51991 1
627 . 1 . 1 85 85 LEU CD2 C 13 20.063 0.000 . . . . . . . 85 L CD . 51991 1
628 . 1 . 1 85 85 LEU N N 15 114.492 0.083 . . . . . . . 85 L N . 51991 1
629 . 1 . 1 86 86 LEU H H 1 8.397 0.004 . . . . . . . 86 L H . 51991 1
630 . 1 . 1 86 86 LEU HA H 1 4.099 0.000 . . . . . . . 86 L HA . 51991 1
631 . 1 . 1 86 86 LEU HD11 H 1 0.774 0.000 . . . . . . . 86 L HD . 51991 1
632 . 1 . 1 86 86 LEU HD12 H 1 0.774 0.000 . . . . . . . 86 L HD . 51991 1
633 . 1 . 1 86 86 LEU HD13 H 1 0.774 0.000 . . . . . . . 86 L HD . 51991 1
634 . 1 . 1 86 86 LEU HD21 H 1 0.774 0.000 . . . . . . . 86 L HD . 51991 1
635 . 1 . 1 86 86 LEU HD22 H 1 0.774 0.000 . . . . . . . 86 L HD . 51991 1
636 . 1 . 1 86 86 LEU HD23 H 1 0.774 0.000 . . . . . . . 86 L HD . 51991 1
637 . 1 . 1 86 86 LEU C C 13 180.996 0.034 . . . . . . . 86 L C . 51991 1
638 . 1 . 1 86 86 LEU CA C 13 58.826 0.016 . . . . . . . 86 L CA . 51991 1
639 . 1 . 1 86 86 LEU CB C 13 42.774 0.000 . . . . . . . 86 L CB . 51991 1
640 . 1 . 1 86 86 LEU N N 15 119.662 0.063 . . . . . . . 86 L N . 51991 1
641 . 1 . 1 87 87 GLU H H 1 8.765 0.007 . . . . . . . 87 E H . 51991 1
642 . 1 . 1 87 87 GLU HA H 1 3.871 0.000 . . . . . . . 87 E HA . 51991 1
643 . 1 . 1 87 87 GLU HG2 H 1 2.468 0.003 . . . . . . . 87 E HG . 51991 1
644 . 1 . 1 87 87 GLU HG3 H 1 2.468 0.003 . . . . . . . 87 E HG . 51991 1
645 . 1 . 1 87 87 GLU C C 13 178.825 0.027 . . . . . . . 87 E C . 51991 1
646 . 1 . 1 87 87 GLU CA C 13 61.699 0.052 . . . . . . . 87 E CA . 51991 1
647 . 1 . 1 87 87 GLU CB C 13 27.870 0.000 . . . . . . . 87 E CB . 51991 1
648 . 1 . 1 87 87 GLU CG C 13 37.792 0.000 . . . . . . . 87 E CG . 51991 1
649 . 1 . 1 87 87 GLU CD C 13 177.043 0.000 . . . . . . . 87 E CD . 51991 1
650 . 1 . 1 87 87 GLU N N 15 123.198 0.042 . . . . . . . 87 E N . 51991 1
651 . 1 . 1 88 88 ILE H H 1 7.812 0.009 . . . . . . . 88 I H . 51991 1
652 . 1 . 1 88 88 ILE HA H 1 3.549 0.014 . . . . . . . 88 I HA . 51991 1
653 . 1 . 1 88 88 ILE C C 13 177.875 0.018 . . . . . . . 88 I C . 51991 1
654 . 1 . 1 88 88 ILE CA C 13 66.125 0.049 . . . . . . . 88 I CA . 51991 1
655 . 1 . 1 88 88 ILE CB C 13 39.609 0.000 . . . . . . . 88 I CB . 51991 1
656 . 1 . 1 88 88 ILE CG1 C 13 26.404 0.000 . . . . . . . 88 I CG1 . 51991 1
657 . 1 . 1 88 88 ILE N N 15 120.654 0.077 . . . . . . . 88 I N . 51991 1
658 . 1 . 1 89 89 ILE H H 1 8.716 0.012 . . . . . . . 89 I H . 51991 1
659 . 1 . 1 89 89 ILE HA H 1 3.490 0.000 . . . . . . . 89 I HA . 51991 1
660 . 1 . 1 89 89 ILE HG21 H 1 1.405 0.000 . . . . . . . 89 I HG2 . 51991 1
661 . 1 . 1 89 89 ILE HG22 H 1 1.405 0.000 . . . . . . . 89 I HG2 . 51991 1
662 . 1 . 1 89 89 ILE HG23 H 1 1.405 0.000 . . . . . . . 89 I HG2 . 51991 1
663 . 1 . 1 89 89 ILE C C 13 176.760 0.025 . . . . . . . 89 I C . 51991 1
664 . 1 . 1 89 89 ILE CA C 13 67.844 0.025 . . . . . . . 89 I CA . 51991 1
665 . 1 . 1 89 89 ILE CG2 C 13 19.834 0.000 . . . . . . . 89 I CG2 . 51991 1
666 . 1 . 1 89 89 ILE N N 15 121.094 0.018 . . . . . . . 89 I N . 51991 1
667 . 1 . 1 90 90 THR H H 1 8.174 0.013 . . . . . . . 90 T H . 51991 1
668 . 1 . 1 90 90 THR HB H 1 3.943 0.007 . . . . . . . 90 T HB . 51991 1
669 . 1 . 1 90 90 THR C C 13 175.767 0.000 . . . . . . . 90 T C . 51991 1
670 . 1 . 1 90 90 THR CA C 13 68.831 0.044 . . . . . . . 90 T CA . 51991 1
671 . 1 . 1 90 90 THR CG2 C 13 22.926 0.000 . . . . . . . 90 T CG2 . 51991 1
672 . 1 . 1 90 90 THR N N 15 114.936 0.020 . . . . . . . 90 T N . 51991 1
673 . 1 . 1 91 91 ALA H H 1 8.078 0.005 . . . . . . . 91 A H . 51991 1
674 . 1 . 1 91 91 ALA HA H 1 3.838 0.007 . . . . . . . 91 A HA . 51991 1
675 . 1 . 1 91 91 ALA HB1 H 1 1.621 0.000 . . . . . . . 91 A HB . 51991 1
676 . 1 . 1 91 91 ALA HB2 H 1 1.621 0.000 . . . . . . . 91 A HB . 51991 1
677 . 1 . 1 91 91 ALA HB3 H 1 1.621 0.000 . . . . . . . 91 A HB . 51991 1
678 . 1 . 1 91 91 ALA C C 13 179.680 0.041 . . . . . . . 91 A C . 51991 1
679 . 1 . 1 91 91 ALA CA C 13 56.146 0.041 . . . . . . . 91 A CA . 51991 1
680 . 1 . 1 91 91 ALA CB C 13 19.263 0.072 . . . . . . . 91 A CB . 51991 1
681 . 1 . 1 91 91 ALA N N 15 123.832 0.047 . . . . . . . 91 A N . 51991 1
682 . 1 . 1 92 92 LEU H H 1 8.437 0.004 . . . . . . . 92 L H . 51991 1
683 . 1 . 1 92 92 LEU C C 13 178.735 0.056 . . . . . . . 92 L C . 51991 1
684 . 1 . 1 92 92 LEU CA C 13 59.144 0.031 . . . . . . . 92 L CA . 51991 1
685 . 1 . 1 92 92 LEU CB C 13 43.422 0.000 . . . . . . . 92 L CB . 51991 1
686 . 1 . 1 92 92 LEU N N 15 117.667 0.081 . . . . . . . 92 L N . 51991 1
687 . 1 . 1 93 93 ILE H H 1 8.516 0.005 . . . . . . . 93 I H . 51991 1
688 . 1 . 1 93 93 ILE HA H 1 3.559 0.004 . . . . . . . 93 I HA . 51991 1
689 . 1 . 1 93 93 ILE HB H 1 2.522 0.005 . . . . . . . 93 I HB . 51991 1
690 . 1 . 1 93 93 ILE C C 13 177.017 0.002 . . . . . . . 93 I C . 51991 1
691 . 1 . 1 93 93 ILE CA C 13 66.171 0.072 . . . . . . . 93 I CA . 51991 1
692 . 1 . 1 93 93 ILE CB C 13 38.262 0.053 . . . . . . . 93 I CB . 51991 1
693 . 1 . 1 93 93 ILE N N 15 119.056 0.002 . . . . . . . 93 I N . 51991 1
694 . 1 . 1 94 94 SER H H 1 7.862 0.008 . . . . . . . 94 S H . 51991 1
695 . 1 . 1 94 94 SER HA H 1 4.197 0.004 . . . . . . . 94 S HA . 51991 1
696 . 1 . 1 94 94 SER C C 13 176.021 0.029 . . . . . . . 94 S C . 51991 1
697 . 1 . 1 94 94 SER CA C 13 61.522 0.029 . . . . . . . 94 S CA . 51991 1
698 . 1 . 1 94 94 SER CB C 13 63.558 0.000 . . . . . . . 94 S CB . 51991 1
699 . 1 . 1 94 94 SER N N 15 116.619 0.048 . . . . . . . 94 S N . 51991 1
700 . 1 . 1 95 95 ILE H H 1 7.359 0.012 . . . . . . . 95 I H . 51991 1
701 . 1 . 1 95 95 ILE HA H 1 3.836 0.003 . . . . . . . 95 I HA . 51991 1
702 . 1 . 1 95 95 ILE C C 13 180.053 0.007 . . . . . . . 95 I C . 51991 1
703 . 1 . 1 95 95 ILE CA C 13 65.788 0.015 . . . . . . . 95 I CA . 51991 1
704 . 1 . 1 95 95 ILE N N 15 120.351 0.023 . . . . . . . 95 I N . 51991 1
705 . 1 . 1 96 96 LEU H H 1 8.589 0.007 . . . . . . . 96 L H . 51991 1
706 . 1 . 1 96 96 LEU HA H 1 3.829 0.011 . . . . . . . 96 L HA . 51991 1
707 . 1 . 1 96 96 LEU HG H 1 1.526 0.000 . . . . . . . 96 L HG . 51991 1
708 . 1 . 1 96 96 LEU C C 13 179.079 0.046 . . . . . . . 96 L C . 51991 1
709 . 1 . 1 96 96 LEU CA C 13 58.915 0.069 . . . . . . . 96 L CA . 51991 1
710 . 1 . 1 96 96 LEU CB C 13 42.835 0.000 . . . . . . . 96 L CB . 51991 1
711 . 1 . 1 96 96 LEU N N 15 123.386 0.010 . . . . . . . 96 L N . 51991 1
712 . 1 . 1 97 97 ASP H H 1 8.360 0.003 . . . . . . . 97 D H . 51991 1
713 . 1 . 1 97 97 ASP HB2 H 1 2.577 0.000 . . . . . . . 97 D HB2 . 51991 1
714 . 1 . 1 97 97 ASP HB3 H 1 2.627 0.000 . . . . . . . 97 D HB3 . 51991 1
715 . 1 . 1 97 97 ASP C C 13 176.286 0.020 . . . . . . . 97 D C . 51991 1
716 . 1 . 1 97 97 ASP CA C 13 57.230 0.053 . . . . . . . 97 D CA . 51991 1
717 . 1 . 1 97 97 ASP CB C 13 42.256 0.066 . . . . . . . 97 D CB . 51991 1
718 . 1 . 1 97 97 ASP CG C 13 178.550 0.007 . . . . . . . 97 D CG . 51991 1
719 . 1 . 1 97 97 ASP N N 15 117.832 0.004 . . . . . . . 97 D N . 51991 1
720 . 1 . 1 98 98 SER H H 1 7.249 0.005 . . . . . . . 98 S H . 51991 1
721 . 1 . 1 98 98 SER HA H 1 3.976 0.011 . . . . . . . 98 S HA . 51991 1
722 . 1 . 1 98 98 SER HB2 H 1 3.720 0.007 . . . . . . . 98 S HB . 51991 1
723 . 1 . 1 98 98 SER HB3 H 1 3.720 0.007 . . . . . . . 98 S HB . 51991 1
724 . 1 . 1 98 98 SER C C 13 174.058 0.005 . . . . . . . 98 S C . 51991 1
725 . 1 . 1 98 98 SER CA C 13 58.663 0.047 . . . . . . . 98 S CA . 51991 1
726 . 1 . 1 98 98 SER CB C 13 65.088 0.037 . . . . . . . 98 S CB . 51991 1
727 . 1 . 1 98 98 SER N N 15 111.695 0.064 . . . . . . . 98 S N . 51991 1
728 . 1 . 1 99 99 SER H H 1 7.539 0.005 . . . . . . . 99 S H . 51991 1
729 . 1 . 1 99 99 SER HA H 1 4.492 0.000 . . . . . . . 99 S HA . 51991 1
730 . 1 . 1 99 99 SER HB2 H 1 3.838 0.000 . . . . . . . 99 S HB . 51991 1
731 . 1 . 1 99 99 SER HB3 H 1 3.838 0.000 . . . . . . . 99 S HB . 51991 1
732 . 1 . 1 99 99 SER C C 13 172.498 0.003 . . . . . . . 99 S C . 51991 1
733 . 1 . 1 99 99 SER CA C 13 59.561 0.016 . . . . . . . 99 S CA . 51991 1
734 . 1 . 1 99 99 SER CB C 13 65.881 0.030 . . . . . . . 99 S CB . 51991 1
735 . 1 . 1 99 99 SER N N 15 116.587 0.015 . . . . . . . 99 S N . 51991 1
736 . 1 . 1 100 100 SER H H 1 8.435 0.003 . . . . . . . 100 S H . 51991 1
737 . 1 . 1 100 100 SER HA H 1 3.938 0.000 . . . . . . . 100 S HA . 51991 1
738 . 1 . 1 100 100 SER HB2 H 1 3.823 0.000 . . . . . . . 100 S HB . 51991 1
739 . 1 . 1 100 100 SER HB3 H 1 3.823 0.000 . . . . . . . 100 S HB . 51991 1
740 . 1 . 1 100 100 SER C C 13 174.847 0.014 . . . . . . . 100 S C . 51991 1
741 . 1 . 1 100 100 SER CA C 13 57.328 0.026 . . . . . . . 100 S CA . 51991 1
742 . 1 . 1 100 100 SER CB C 13 64.429 0.081 . . . . . . . 100 S CB . 51991 1
743 . 1 . 1 100 100 SER N N 15 116.864 0.071 . . . . . . . 100 S N . 51991 1
744 . 1 . 1 101 101 VAL H H 1 8.710 0.006 . . . . . . . 101 V H . 51991 1
745 . 1 . 1 101 101 VAL HA H 1 3.713 0.000 . . . . . . . 101 V HA . 51991 1
746 . 1 . 1 101 101 VAL HG11 H 1 0.770 0.000 . . . . . . . 101 V HG1# . 51991 1
747 . 1 . 1 101 101 VAL HG12 H 1 0.770 0.000 . . . . . . . 101 V HG1# . 51991 1
748 . 1 . 1 101 101 VAL HG13 H 1 0.770 0.000 . . . . . . . 101 V HG1# . 51991 1
749 . 1 . 1 101 101 VAL HG21 H 1 0.770 0.000 . . . . . . . 101 V HG2# . 51991 1
750 . 1 . 1 101 101 VAL HG22 H 1 0.770 0.000 . . . . . . . 101 V HG2# . 51991 1
751 . 1 . 1 101 101 VAL HG23 H 1 0.770 0.000 . . . . . . . 101 V HG2# . 51991 1
752 . 1 . 1 101 101 VAL C C 13 176.561 0.016 . . . . . . . 101 V C . 51991 1
753 . 1 . 1 101 101 VAL CA C 13 63.463 0.021 . . . . . . . 101 V CA . 51991 1
754 . 1 . 1 101 101 VAL CB C 13 33.397 0.004 . . . . . . . 101 V CB . 51991 1
755 . 1 . 1 101 101 VAL N N 15 128.560 0.084 . . . . . . . 101 V N . 51991 1
756 . 1 . 1 102 102 GLY H H 1 8.545 0.007 . . . . . . . 102 G H . 51991 1
757 . 1 . 1 102 102 GLY HA2 H 1 4.051 0.002 . . . . . . . 102 G HA . 51991 1
758 . 1 . 1 102 102 GLY HA3 H 1 4.051 0.002 . . . . . . . 102 G HA . 51991 1
759 . 1 . 1 102 102 GLY C C 13 173.747 0.012 . . . . . . . 102 G C . 51991 1
760 . 1 . 1 102 102 GLY CA C 13 46.216 0.089 . . . . . . . 102 G CA . 51991 1
761 . 1 . 1 102 102 GLY N N 15 113.408 0.064 . . . . . . . 102 G N . 51991 1
762 . 1 . 1 103 103 GLN H H 1 7.850 0.008 . . . . . . . 103 Q H . 51991 1
763 . 1 . 1 103 103 GLN HA H 1 4.319 0.001 . . . . . . . 103 Q HA . 51991 1
764 . 1 . 1 103 103 GLN HB2 H 1 1.952 0.009 . . . . . . . 103 Q HB . 51991 1
765 . 1 . 1 103 103 GLN HB3 H 1 1.952 0.009 . . . . . . . 103 Q HB . 51991 1
766 . 1 . 1 103 103 GLN HG2 H 1 2.304 0.007 . . . . . . . 103 Q HG . 51991 1
767 . 1 . 1 103 103 GLN HG3 H 1 2.304 0.007 . . . . . . . 103 Q HG . 51991 1
768 . 1 . 1 103 103 GLN C C 13 175.281 0.051 . . . . . . . 103 Q C . 51991 1
769 . 1 . 1 103 103 GLN CA C 13 55.977 0.053 . . . . . . . 103 Q CA . 51991 1
770 . 1 . 1 103 103 GLN CB C 13 30.203 0.076 . . . . . . . 103 Q CB . 51991 1
771 . 1 . 1 103 103 GLN CG C 13 34.593 0.000 . . . . . . . 103 Q CG . 51991 1
772 . 1 . 1 103 103 GLN CD C 13 177.135 0.000 . . . . . . . 103 Q CD . 51991 1
773 . 1 . 1 103 103 GLN N N 15 118.535 0.058 . . . . . . . 103 Q N . 51991 1
774 . 1 . 1 104 104 VAL H H 1 7.796 0.002 . . . . . . . 104 V H . 51991 1
775 . 1 . 1 104 104 VAL HA H 1 3.825 0.003 . . . . . . . 104 V HA . 51991 1
776 . 1 . 1 104 104 VAL HB H 1 1.511 0.000 . . . . . . . 104 V HB . 51991 1
777 . 1 . 1 104 104 VAL HG11 H 1 0.716 0.000 . . . . . . . 104 V HG1# . 51991 1
778 . 1 . 1 104 104 VAL HG12 H 1 0.716 0.000 . . . . . . . 104 V HG1# . 51991 1
779 . 1 . 1 104 104 VAL HG13 H 1 0.716 0.000 . . . . . . . 104 V HG1# . 51991 1
780 . 1 . 1 104 104 VAL HG21 H 1 0.716 0.000 . . . . . . . 104 V HG2# . 51991 1
781 . 1 . 1 104 104 VAL HG22 H 1 0.716 0.000 . . . . . . . 104 V HG2# . 51991 1
782 . 1 . 1 104 104 VAL HG23 H 1 0.716 0.000 . . . . . . . 104 V HG2# . 51991 1
783 . 1 . 1 104 104 VAL C C 13 175.077 0.039 . . . . . . . 104 V C . 51991 1
784 . 1 . 1 104 104 VAL CA C 13 62.737 0.079 . . . . . . . 104 V CA . 51991 1
785 . 1 . 1 104 104 VAL CB C 13 33.865 0.000 . . . . . . . 104 V CB . 51991 1
786 . 1 . 1 104 104 VAL CG1 C 13 21.927 0.000 . . . . . . . 104 V CG1 . 51991 1
787 . 1 . 1 104 104 VAL CG2 C 13 21.927 0.000 . . . . . . . 104 V CG2 . 51991 1
788 . 1 . 1 104 104 VAL N N 15 124.192 0.078 . . . . . . . 104 V N . 51991 1
789 . 1 . 1 105 105 ASN H H 1 8.604 0.004 . . . . . . . 105 N H . 51991 1
790 . 1 . 1 105 105 ASN HA H 1 4.411 0.000 . . . . . . . 105 N HA . 51991 1
791 . 1 . 1 105 105 ASN HB2 H 1 3.058 0.009 . . . . . . . 105 N HB2 . 51991 1
792 . 1 . 1 105 105 ASN HB3 H 1 2.804 0.016 . . . . . . . 105 N HB3 . 51991 1
793 . 1 . 1 105 105 ASN C C 13 176.340 0.007 . . . . . . . 105 N C . 51991 1
794 . 1 . 1 105 105 ASN CA C 13 52.159 0.049 . . . . . . . 105 N CA . 51991 1
795 . 1 . 1 105 105 ASN CB C 13 38.552 0.037 . . . . . . . 105 N CB . 51991 1
796 . 1 . 1 105 105 ASN CG C 13 181.662 0.007 . . . . . . . 105 N CG . 51991 1
797 . 1 . 1 105 105 ASN N N 15 124.213 0.069 . . . . . . . 105 N N . 51991 1
798 . 1 . 1 106 106 TYR H H 1 8.237 0.011 . . . . . . . 106 Y H . 51991 1
799 . 1 . 1 106 106 TYR C C 13 177.779 0.000 . . . . . . . 106 Y C . 51991 1
800 . 1 . 1 106 106 TYR CA C 13 61.500 0.000 . . . . . . . 106 Y CA . 51991 1
801 . 1 . 1 106 106 TYR N N 15 125.642 0.085 . . . . . . . 106 Y N . 51991 1
802 . 1 . 1 107 107 GLY HA2 H 1 4.166 0.012 . . . . . . . 107 G HA . 51991 1
803 . 1 . 1 107 107 GLY HA3 H 1 4.166 0.012 . . . . . . . 107 G HA . 51991 1
804 . 1 . 1 107 107 GLY C C 13 175.271 0.000 . . . . . . . 107 G C . 51991 1
805 . 1 . 1 107 107 GLY CA C 13 46.865 0.109 . . . . . . . 107 G CA . 51991 1
806 . 1 . 1 108 108 SER H H 1 7.749 0.003 . . . . . . . 108 S H . 51991 1
807 . 1 . 1 108 108 SER HA H 1 4.293 0.000 . . . . . . . 108 S HA . 51991 1
808 . 1 . 1 108 108 SER HB2 H 1 3.973 0.007 . . . . . . . 108 S HB . 51991 1
809 . 1 . 1 108 108 SER HB3 H 1 3.973 0.007 . . . . . . . 108 S HB . 51991 1
810 . 1 . 1 108 108 SER C C 13 174.919 0.006 . . . . . . . 108 S C . 51991 1
811 . 1 . 1 108 108 SER CA C 13 58.808 0.074 . . . . . . . 108 S CA . 51991 1
812 . 1 . 1 108 108 SER CB C 13 64.822 0.000 . . . . . . . 108 S CB . 51991 1
813 . 1 . 1 108 108 SER N N 15 115.024 0.023 . . . . . . . 108 S N . 51991 1
814 . 1 . 1 109 109 SER H H 1 7.883 0.009 . . . . . . . 109 S H . 51991 1
815 . 1 . 1 109 109 SER C C 13 175.322 0.043 . . . . . . . 109 S C . 51991 1
816 . 1 . 1 109 109 SER CA C 13 64.167 0.004 . . . . . . . 109 S CA . 51991 1
817 . 1 . 1 109 109 SER CB C 13 64.447 0.000 . . . . . . . 109 S CB . 51991 1
818 . 1 . 1 109 109 SER N N 15 118.365 0.094 . . . . . . . 109 S N . 51991 1
819 . 1 . 1 110 110 GLY H H 1 8.664 0.002 . . . . . . . 110 G H . 51991 1
820 . 1 . 1 110 110 GLY C C 13 175.982 0.013 . . . . . . . 110 G C . 51991 1
821 . 1 . 1 110 110 GLY CA C 13 45.786 0.080 . . . . . . . 110 G CA . 51991 1
822 . 1 . 1 110 110 GLY N N 15 108.238 0.041 . . . . . . . 110 G N . 51991 1
823 . 1 . 1 111 111 GLN H H 1 7.588 0.002 . . . . . . . 111 Q H . 51991 1
824 . 1 . 1 111 111 GLN HA H 1 4.017 0.007 . . . . . . . 111 Q HA . 51991 1
825 . 1 . 1 111 111 GLN HB2 H 1 1.933 0.000 . . . . . . . 111 Q HB . 51991 1
826 . 1 . 1 111 111 GLN HB3 H 1 1.933 0.000 . . . . . . . 111 Q HB . 51991 1
827 . 1 . 1 111 111 GLN HG2 H 1 2.031 0.002 . . . . . . . 111 Q HG . 51991 1
828 . 1 . 1 111 111 GLN HG3 H 1 2.031 0.002 . . . . . . . 111 Q HG . 51991 1
829 . 1 . 1 111 111 GLN C C 13 178.868 0.025 . . . . . . . 111 Q C . 51991 1
830 . 1 . 1 111 111 GLN CA C 13 59.118 0.056 . . . . . . . 111 Q CA . 51991 1
831 . 1 . 1 111 111 GLN CB C 13 28.701 0.000 . . . . . . . 111 Q CB . 51991 1
832 . 1 . 1 111 111 GLN CG C 13 34.391 0.000 . . . . . . . 111 Q CG . 51991 1
833 . 1 . 1 111 111 GLN CD C 13 178.200 0.000 . . . . . . . 111 Q CD . 51991 1
834 . 1 . 1 111 111 GLN N N 15 122.145 0.034 . . . . . . . 111 Q N . 51991 1
835 . 1 . 1 112 112 TYR H H 1 7.222 0.003 . . . . . . . 112 Y H . 51991 1
836 . 1 . 1 112 112 TYR HA H 1 4.224 0.000 . . . . . . . 112 Y HA . 51991 1
837 . 1 . 1 112 112 TYR HB2 H 1 3.040 0.000 . . . . . . . 112 Y HB . 51991 1
838 . 1 . 1 112 112 TYR HB3 H 1 3.040 0.000 . . . . . . . 112 Y HB . 51991 1
839 . 1 . 1 112 112 TYR C C 13 177.202 0.004 . . . . . . . 112 Y C . 51991 1
840 . 1 . 1 112 112 TYR CA C 13 62.391 0.058 . . . . . . . 112 Y CA . 51991 1
841 . 1 . 1 112 112 TYR CB C 13 38.755 0.061 . . . . . . . 112 Y CB . 51991 1
842 . 1 . 1 112 112 TYR N N 15 117.922 0.000 . . . . . . . 112 Y N . 51991 1
843 . 1 . 1 113 113 ALA H H 1 8.412 0.006 . . . . . . . 113 A H . 51991 1
844 . 1 . 1 113 113 ALA HA H 1 4.085 0.008 . . . . . . . 113 A HA . 51991 1
845 . 1 . 1 113 113 ALA HB1 H 1 1.571 0.002 . . . . . . . 113 A HB . 51991 1
846 . 1 . 1 113 113 ALA HB2 H 1 1.571 0.002 . . . . . . . 113 A HB . 51991 1
847 . 1 . 1 113 113 ALA HB3 H 1 1.571 0.002 . . . . . . . 113 A HB . 51991 1
848 . 1 . 1 113 113 ALA C C 13 179.111 0.012 . . . . . . . 113 A C . 51991 1
849 . 1 . 1 113 113 ALA CA C 13 55.886 0.080 . . . . . . . 113 A CA . 51991 1
850 . 1 . 1 113 113 ALA CB C 13 19.556 0.069 . . . . . . . 113 A CB . 51991 1
851 . 1 . 1 113 113 ALA N N 15 122.876 0.075 . . . . . . . 113 A N . 51991 1
852 . 1 . 1 114 114 GLN H H 1 7.646 0.002 . . . . . . . 114 Q H . 51991 1
853 . 1 . 1 114 114 GLN HA H 1 4.201 0.034 . . . . . . . 114 Q HA . 51991 1
854 . 1 . 1 114 114 GLN HB2 H 1 2.002 0.000 . . . . . . . 114 Q HB . 51991 1
855 . 1 . 1 114 114 GLN HB3 H 1 2.002 0.000 . . . . . . . 114 Q HB . 51991 1
856 . 1 . 1 114 114 GLN HG2 H 1 2.451 0.015 . . . . . . . 114 Q HG2 . 51991 1
857 . 1 . 1 114 114 GLN HG3 H 1 2.267 0.000 . . . . . . . 114 Q HG3 . 51991 1
858 . 1 . 1 114 114 GLN C C 13 178.455 0.005 . . . . . . . 114 Q C . 51991 1
859 . 1 . 1 114 114 GLN CA C 13 59.635 0.064 . . . . . . . 114 Q CA . 51991 1
860 . 1 . 1 114 114 GLN CB C 13 29.129 0.000 . . . . . . . 114 Q CB . 51991 1
861 . 1 . 1 114 114 GLN CG C 13 34.793 0.000 . . . . . . . 114 Q CG . 51991 1
862 . 1 . 1 114 114 GLN CD C 13 177.915 0.028 . . . . . . . 114 Q CD . 51991 1
863 . 1 . 1 114 114 GLN N N 15 117.491 0.057 . . . . . . . 114 Q N . 51991 1
864 . 1 . 1 115 115 ILE H H 1 7.316 0.005 . . . . . . . 115 I H . 51991 1
865 . 1 . 1 115 115 ILE C C 13 178.583 0.020 . . . . . . . 115 I C . 51991 1
866 . 1 . 1 115 115 ILE CA C 13 65.996 0.085 . . . . . . . 115 I CA . 51991 1
867 . 1 . 1 115 115 ILE CB C 13 39.630 0.003 . . . . . . . 115 I CB . 51991 1
868 . 1 . 1 115 115 ILE CG1 C 13 30.769 0.000 . . . . . . . 115 I CG1 . 51991 1
869 . 1 . 1 115 115 ILE CD1 C 13 14.226 0.000 . . . . . . . 115 I CD . 51991 1
870 . 1 . 1 115 115 ILE N N 15 120.110 0.080 . . . . . . . 115 I N . 51991 1
871 . 1 . 1 116 116 VAL H H 1 8.230 0.011 . . . . . . . 116 V H . 51991 1
872 . 1 . 1 116 116 VAL HA H 1 3.398 0.003 . . . . . . . 116 V HA . 51991 1
873 . 1 . 1 116 116 VAL HB H 1 2.008 0.000 . . . . . . . 116 V HB . 51991 1
874 . 1 . 1 116 116 VAL C C 13 178.396 0.038 . . . . . . . 116 V C . 51991 1
875 . 1 . 1 116 116 VAL CA C 13 68.256 0.074 . . . . . . . 116 V CA . 51991 1
876 . 1 . 1 116 116 VAL CB C 13 32.276 0.000 . . . . . . . 116 V CB . 51991 1
877 . 1 . 1 116 116 VAL N N 15 121.595 0.088 . . . . . . . 116 V N . 51991 1
878 . 1 . 1 117 117 GLY H H 1 8.979 0.008 . . . . . . . 117 G H . 51991 1
879 . 1 . 1 117 117 GLY HA2 H 1 3.865 0.014 . . . . . . . 117 G HA2 . 51991 1
880 . 1 . 1 117 117 GLY HA3 H 1 4.034 0.009 . . . . . . . 117 G HA3 . 51991 1
881 . 1 . 1 117 117 GLY C C 13 175.937 0.002 . . . . . . . 117 G C . 51991 1
882 . 1 . 1 117 117 GLY CA C 13 48.867 0.070 . . . . . . . 117 G CA . 51991 1
883 . 1 . 1 117 117 GLY N N 15 108.136 0.040 . . . . . . . 117 G N . 51991 1
884 . 1 . 1 118 118 GLN H H 1 8.421 0.006 . . . . . . . 118 Q H . 51991 1
885 . 1 . 1 118 118 GLN HA H 1 4.101 0.005 . . . . . . . 118 Q HA . 51991 1
886 . 1 . 1 118 118 GLN HB2 H 1 2.040 0.000 . . . . . . . 118 Q HB . 51991 1
887 . 1 . 1 118 118 GLN HB3 H 1 2.040 0.000 . . . . . . . 118 Q HB . 51991 1
888 . 1 . 1 118 118 GLN HG2 H 1 2.517 0.000 . . . . . . . 118 Q HG2 . 51991 1
889 . 1 . 1 118 118 GLN HG3 H 1 2.502 0.000 . . . . . . . 118 Q HG3 . 51991 1
890 . 1 . 1 118 118 GLN C C 13 179.126 0.008 . . . . . . . 118 Q C . 51991 1
891 . 1 . 1 118 118 GLN CA C 13 59.718 0.098 . . . . . . . 118 Q CA . 51991 1
892 . 1 . 1 118 118 GLN CB C 13 29.055 0.059 . . . . . . . 118 Q CB . 51991 1
893 . 1 . 1 118 118 GLN CG C 13 34.884 0.000 . . . . . . . 118 Q CG . 51991 1
894 . 1 . 1 118 118 GLN CD C 13 177.705 0.000 . . . . . . . 118 Q CD . 51991 1
895 . 1 . 1 118 118 GLN N N 15 121.339 0.053 . . . . . . . 118 Q N . 51991 1
896 . 1 . 1 119 119 SER H H 1 8.471 0.003 . . . . . . . 119 S H . 51991 1
897 . 1 . 1 119 119 SER HA H 1 4.277 0.000 . . . . . . . 119 S HA . 51991 1
898 . 1 . 1 119 119 SER HB2 H 1 3.888 0.000 . . . . . . . 119 S HB . 51991 1
899 . 1 . 1 119 119 SER HB3 H 1 3.888 0.000 . . . . . . . 119 S HB . 51991 1
900 . 1 . 1 119 119 SER C C 13 176.093 0.032 . . . . . . . 119 S C . 51991 1
901 . 1 . 1 119 119 SER CA C 13 63.510 0.021 . . . . . . . 119 S CA . 51991 1
902 . 1 . 1 119 119 SER N N 15 117.496 0.091 . . . . . . . 119 S N . 51991 1
903 . 1 . 1 120 120 MET H H 1 8.128 0.006 . . . . . . . 120 M H . 51991 1
904 . 1 . 1 120 120 MET HA H 1 4.276 0.008 . . . . . . . 120 M HA . 51991 1
905 . 1 . 1 120 120 MET HB2 H 1 2.072 0.007 . . . . . . . 120 M HB . 51991 1
906 . 1 . 1 120 120 MET HB3 H 1 2.072 0.007 . . . . . . . 120 M HB . 51991 1
907 . 1 . 1 120 120 MET HG2 H 1 2.495 0.000 . . . . . . . 120 M HG . 51991 1
908 . 1 . 1 120 120 MET HG3 H 1 2.495 0.000 . . . . . . . 120 M HG . 51991 1
909 . 1 . 1 120 120 MET C C 13 177.591 0.013 . . . . . . . 120 M C . 51991 1
910 . 1 . 1 120 120 MET CA C 13 57.788 0.087 . . . . . . . 120 M CA . 51991 1
911 . 1 . 1 120 120 MET CB C 13 32.675 0.000 . . . . . . . 120 M CB . 51991 1
912 . 1 . 1 120 120 MET CG C 13 33.336 0.000 . . . . . . . 120 M CG . 51991 1
913 . 1 . 1 120 120 MET N N 15 121.006 0.048 . . . . . . . 120 M N . 51991 1
914 . 1 . 1 121 121 GLN H H 1 7.911 0.007 . . . . . . . 121 Q H . 51991 1
915 . 1 . 1 121 121 GLN HA H 1 4.153 0.011 . . . . . . . 121 Q HA . 51991 1
916 . 1 . 1 121 121 GLN HG2 H 1 2.472 0.000 . . . . . . . 121 Q HG2 . 51991 1
917 . 1 . 1 121 121 GLN HG3 H 1 2.350 0.000 . . . . . . . 121 Q HG3 . 51991 1
918 . 1 . 1 121 121 GLN C C 13 179.089 0.022 . . . . . . . 121 Q C . 51991 1
919 . 1 . 1 121 121 GLN CA C 13 59.846 0.056 . . . . . . . 121 Q CA . 51991 1
920 . 1 . 1 121 121 GLN CB C 13 29.468 0.039 . . . . . . . 121 Q CB . 51991 1
921 . 1 . 1 121 121 GLN CG C 13 35.011 0.000 . . . . . . . 121 Q CG . 51991 1
922 . 1 . 1 121 121 GLN CD C 13 177.680 0.009 . . . . . . . 121 Q CD . 51991 1
923 . 1 . 1 121 121 GLN N N 15 117.994 0.093 . . . . . . . 121 Q N . 51991 1
924 . 1 . 1 122 122 GLN H H 1 8.319 0.011 . . . . . . . 122 Q H . 51991 1
925 . 1 . 1 122 122 GLN HA H 1 4.050 0.003 . . . . . . . 122 Q HA . 51991 1
926 . 1 . 1 122 122 GLN HB2 H 1 2.133 0.003 . . . . . . . 122 Q HB . 51991 1
927 . 1 . 1 122 122 GLN HB3 H 1 2.133 0.003 . . . . . . . 122 Q HB . 51991 1
928 . 1 . 1 122 122 GLN HG2 H 1 2.489 0.000 . . . . . . . 122 Q HG2 . 51991 1
929 . 1 . 1 122 122 GLN HG3 H 1 2.498 0.000 . . . . . . . 122 Q HG3 . 51991 1
930 . 1 . 1 122 122 GLN C C 13 177.939 0.008 . . . . . . . 122 Q C . 51991 1
931 . 1 . 1 122 122 GLN CA C 13 58.952 0.056 . . . . . . . 122 Q CA . 51991 1
932 . 1 . 1 122 122 GLN CB C 13 29.317 0.000 . . . . . . . 122 Q CB . 51991 1
933 . 1 . 1 122 122 GLN CG C 13 35.135 0.000 . . . . . . . 122 Q CG . 51991 1
934 . 1 . 1 122 122 GLN CD C 13 176.948 0.000 . . . . . . . 122 Q CD . 51991 1
935 . 1 . 1 122 122 GLN N N 15 117.991 0.051 . . . . . . . 122 Q N . 51991 1
936 . 1 . 1 123 123 ALA H H 1 7.962 0.003 . . . . . . . 123 A H . 51991 1
937 . 1 . 1 123 123 ALA HA H 1 4.159 0.001 . . . . . . . 123 A HA . 51991 1
938 . 1 . 1 123 123 ALA HB1 H 1 1.518 0.004 . . . . . . . 123 A HB . 51991 1
939 . 1 . 1 123 123 ALA HB2 H 1 1.518 0.004 . . . . . . . 123 A HB . 51991 1
940 . 1 . 1 123 123 ALA HB3 H 1 1.518 0.004 . . . . . . . 123 A HB . 51991 1
941 . 1 . 1 123 123 ALA C C 13 178.468 0.010 . . . . . . . 123 A C . 51991 1
942 . 1 . 1 123 123 ALA CA C 13 55.030 0.077 . . . . . . . 123 A CA . 51991 1
943 . 1 . 1 123 123 ALA CB C 13 20.634 0.006 . . . . . . . 123 A CB . 51991 1
944 . 1 . 1 123 123 ALA N N 15 120.498 0.095 . . . . . . . 123 A N . 51991 1
945 . 1 . 1 124 124 MET H H 1 7.595 0.005 . . . . . . . 124 M H . 51991 1
946 . 1 . 1 124 124 MET HA H 1 4.618 0.003 . . . . . . . 124 M HA . 51991 1
947 . 1 . 1 124 124 MET HB2 H 1 2.081 0.002 . . . . . . . 124 M HB . 51991 1
948 . 1 . 1 124 124 MET HB3 H 1 2.081 0.002 . . . . . . . 124 M HB . 51991 1
949 . 1 . 1 124 124 MET HG2 H 1 2.613 0.000 . . . . . . . 124 M HG . 51991 1
950 . 1 . 1 124 124 MET HG3 H 1 2.613 0.000 . . . . . . . 124 M HG . 51991 1
951 . 1 . 1 124 124 MET C C 13 176.040 0.004 . . . . . . . 124 M C . 51991 1
952 . 1 . 1 124 124 MET CA C 13 55.300 0.037 . . . . . . . 124 M CA . 51991 1
953 . 1 . 1 124 124 MET CB C 13 34.218 0.000 . . . . . . . 124 M CB . 51991 1
954 . 1 . 1 124 124 MET CG C 13 33.440 0.000 . . . . . . . 124 M CG . 51991 1
955 . 1 . 1 124 124 MET N N 15 113.521 0.045 . . . . . . . 124 M N . 51991 1
956 . 1 . 1 125 125 GLY H H 1 7.564 0.003 . . . . . . . 125 G H . 51991 1
957 . 1 . 1 125 125 GLY C C 13 178.928 0.000 . . . . . . . 125 G C . 51991 1
958 . 1 . 1 125 125 GLY CA C 13 47.182 0.000 . . . . . . . 125 G CA . 51991 1
959 . 1 . 1 125 125 GLY N N 15 114.124 0.034 . . . . . . . 125 G N . 51991 1
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