Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 18919
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_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
6 '3D 1H-15N NOESY' . . . 18919 1
7 '3D 1H-13C NOESY aliphatic' . . . 18919 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 3 3 ALA HB1 H 1 1.413 0.000 . . . . . A 3 ALA HB1 . 18919 1
2 . 1 1 3 3 ALA HB2 H 1 1.413 0.000 . . . . . A 3 ALA HB2 . 18919 1
3 . 1 1 3 3 ALA HB3 H 1 1.413 0.000 . . . . . A 3 ALA HB3 . 18919 1
4 . 1 1 4 4 GLN HB2 H 1 1.820 0.000 . . . . . A 4 GLN HB2 . 18919 1
5 . 1 1 4 4 GLN HB3 H 1 1.820 0.000 . . . . . A 4 GLN HB3 . 18919 1
6 . 1 1 4 4 GLN HG3 H 1 2.188 0.004 . . . . . A 4 GLN HG3 . 18919 1
7 . 1 1 4 4 GLN HE21 H 1 6.685 0.006 . . . . . A 4 GLN HE21 . 18919 1
8 . 1 1 4 4 GLN HE22 H 1 7.393 0.004 . . . . . A 4 GLN HE22 . 18919 1
9 . 1 1 4 4 GLN NE2 N 15 112.779 0.033 . . . . . A 4 GLN NE2 . 18919 1
10 . 1 1 5 5 SER HA H 1 4.154 0.000 . . . . . A 5 SER HA . 18919 1
11 . 1 1 6 6 ASP H H 1 8.234 0.000 . . . . . A 6 ASP H . 18919 1
12 . 1 1 6 6 ASP HA H 1 4.381 0.007 . . . . . A 6 ASP HA . 18919 1
13 . 1 1 6 6 ASP HB2 H 1 2.965 0.003 . . . . . A 6 ASP HB2 . 18919 1
14 . 1 1 6 6 ASP HB3 H 1 2.818 0.004 . . . . . A 6 ASP HB3 . 18919 1
15 . 1 1 6 6 ASP CB C 13 38.906 0.035 . . . . . A 6 ASP CB . 18919 1
16 . 1 1 7 7 LYS H H 1 7.921 0.002 . . . . . A 7 LYS H . 18919 1
17 . 1 1 7 7 LYS HA H 1 4.055 0.008 . . . . . A 7 LYS HA . 18919 1
18 . 1 1 7 7 LYS HB2 H 1 1.499 0.007 . . . . . A 7 LYS HB2 . 18919 1
19 . 1 1 7 7 LYS HB3 H 1 1.610 0.003 . . . . . A 7 LYS HB3 . 18919 1
20 . 1 1 7 7 LYS HD2 H 1 1.191 0.008 . . . . . A 7 LYS HD2 . 18919 1
21 . 1 1 7 7 LYS HD3 H 1 1.191 0.008 . . . . . A 7 LYS HD3 . 18919 1
22 . 1 1 7 7 LYS HE2 H 1 2.779 0.001 . . . . . A 7 LYS HE2 . 18919 1
23 . 1 1 7 7 LYS HE3 H 1 2.779 0.001 . . . . . A 7 LYS HE3 . 18919 1
24 . 1 1 7 7 LYS CA C 13 56.040 0.055 . . . . . A 7 LYS CA . 18919 1
25 . 1 1 7 7 LYS N N 15 120.513 0.063 . . . . . A 7 LYS N . 18919 1
26 . 1 1 8 8 ASP H H 1 7.984 0.005 . . . . . A 8 ASP H . 18919 1
27 . 1 1 8 8 ASP HA H 1 4.326 0.005 . . . . . A 8 ASP HA . 18919 1
28 . 1 1 8 8 ASP HB2 H 1 2.407 0.048 . . . . . A 8 ASP HB2 . 18919 1
29 . 1 1 8 8 ASP HB3 H 1 2.339 0.059 . . . . . A 8 ASP HB3 . 18919 1
30 . 1 1 8 8 ASP CA C 13 53.818 0.019 . . . . . A 8 ASP CA . 18919 1
31 . 1 1 8 8 ASP CB C 13 41.016 0.047 . . . . . A 8 ASP CB . 18919 1
32 . 1 1 8 8 ASP N N 15 121.186 0.028 . . . . . A 8 ASP N . 18919 1
33 . 1 1 9 9 VAL H H 1 7.481 0.004 . . . . . A 9 VAL H . 18919 1
34 . 1 1 9 9 VAL HA H 1 3.529 0.007 . . . . . A 9 VAL HA . 18919 1
35 . 1 1 9 9 VAL HB H 1 1.357 0.004 . . . . . A 9 VAL HB . 18919 1
36 . 1 1 9 9 VAL HG11 H 1 0.452 0.007 . . . . . A 9 VAL HG11 . 18919 1
37 . 1 1 9 9 VAL HG12 H 1 0.452 0.007 . . . . . A 9 VAL HG12 . 18919 1
38 . 1 1 9 9 VAL HG13 H 1 0.452 0.007 . . . . . A 9 VAL HG13 . 18919 1
39 . 1 1 9 9 VAL HG21 H 1 0.236 0.176 . . . . . A 9 VAL HG21 . 18919 1
40 . 1 1 9 9 VAL HG22 H 1 0.236 0.176 . . . . . A 9 VAL HG22 . 18919 1
41 . 1 1 9 9 VAL HG23 H 1 0.236 0.176 . . . . . A 9 VAL HG23 . 18919 1
42 . 1 1 9 9 VAL CA C 13 61.401 0.037 . . . . . A 9 VAL CA . 18919 1
43 . 1 1 9 9 VAL CB C 13 32.883 0.031 . . . . . A 9 VAL CB . 18919 1
44 . 1 1 9 9 VAL CG2 C 13 17.800 0.234 . . . . . A 9 VAL CG2 . 18919 1
45 . 1 1 9 9 VAL N N 15 121.817 0.030 . . . . . A 9 VAL N . 18919 1
46 . 1 1 10 10 LYS H H 1 7.920 0.008 . . . . . A 10 LYS H . 18919 1
47 . 1 1 10 10 LYS HA H 1 3.855 0.006 . . . . . A 10 LYS HA . 18919 1
48 . 1 1 10 10 LYS HB2 H 1 1.369 0.002 . . . . . A 10 LYS HB2 . 18919 1
49 . 1 1 10 10 LYS HB3 H 1 1.369 0.002 . . . . . A 10 LYS HB3 . 18919 1
50 . 1 1 10 10 LYS HG2 H 1 0.965 0.004 . . . . . A 10 LYS HG2 . 18919 1
51 . 1 1 10 10 LYS HG3 H 1 0.846 0.010 . . . . . A 10 LYS HG3 . 18919 1
52 . 1 1 10 10 LYS HE2 H 1 2.689 0.005 . . . . . A 10 LYS HE2 . 18919 1
53 . 1 1 10 10 LYS HE3 H 1 2.689 0.005 . . . . . A 10 LYS HE3 . 18919 1
54 . 1 1 10 10 LYS CA C 13 54.277 0.048 . . . . . A 10 LYS CA . 18919 1
55 . 1 1 10 10 LYS N N 15 127.215 0.039 . . . . . A 10 LYS N . 18919 1
56 . 1 1 11 11 TYR H H 1 7.933 0.004 . . . . . A 11 TYR H . 18919 1
57 . 1 1 11 11 TYR HA H 1 5.451 0.011 . . . . . A 11 TYR HA . 18919 1
58 . 1 1 11 11 TYR HB2 H 1 2.610 0.006 . . . . . A 11 TYR HB2 . 18919 1
59 . 1 1 11 11 TYR HB3 H 1 2.393 0.007 . . . . . A 11 TYR HB3 . 18919 1
60 . 1 1 11 11 TYR HD1 H 1 6.619 0.005 . . . . . A 11 TYR HD1 . 18919 1
61 . 1 1 11 11 TYR HD2 H 1 6.619 0.005 . . . . . A 11 TYR HD2 . 18919 1
62 . 1 1 11 11 TYR HE1 H 1 6.376 0.004 . . . . . A 11 TYR HE1 . 18919 1
63 . 1 1 11 11 TYR HE2 H 1 6.376 0.004 . . . . . A 11 TYR HE2 . 18919 1
64 . 1 1 11 11 TYR CA C 13 54.575 0.066 . . . . . A 11 TYR CA . 18919 1
65 . 1 1 11 11 TYR N N 15 121.820 0.038 . . . . . A 11 TYR N . 18919 1
66 . 1 1 12 12 TYR H H 1 8.415 0.005 . . . . . A 12 TYR H . 18919 1
67 . 1 1 12 12 TYR HA H 1 4.940 0.005 . . . . . A 12 TYR HA . 18919 1
68 . 1 1 12 12 TYR HB2 H 1 2.923 0.004 . . . . . A 12 TYR HB2 . 18919 1
69 . 1 1 12 12 TYR HB3 H 1 2.189 0.007 . . . . . A 12 TYR HB3 . 18919 1
70 . 1 1 12 12 TYR HD1 H 1 6.643 0.008 . . . . . A 12 TYR HD1 . 18919 1
71 . 1 1 12 12 TYR HD2 H 1 6.643 0.008 . . . . . A 12 TYR HD2 . 18919 1
72 . 1 1 12 12 TYR HE1 H 1 6.285 0.005 . . . . . A 12 TYR HE1 . 18919 1
73 . 1 1 12 12 TYR HE2 H 1 6.285 0.005 . . . . . A 12 TYR HE2 . 18919 1
74 . 1 1 12 12 TYR CA C 13 56.064 0.029 . . . . . A 12 TYR CA . 18919 1
75 . 1 1 12 12 TYR N N 15 118.201 0.019 . . . . . A 12 TYR N . 18919 1
76 . 1 1 13 13 THR H H 1 9.000 0.007 . . . . . A 13 THR H . 18919 1
77 . 1 1 13 13 THR HA H 1 4.356 0.008 . . . . . A 13 THR HA . 18919 1
78 . 1 1 13 13 THR HB H 1 4.647 0.002 . . . . . A 13 THR HB . 18919 1
79 . 1 1 13 13 THR HG21 H 1 0.986 0.004 . . . . . A 13 THR HG21 . 18919 1
80 . 1 1 13 13 THR HG22 H 1 0.986 0.004 . . . . . A 13 THR HG22 . 18919 1
81 . 1 1 13 13 THR HG23 H 1 0.986 0.004 . . . . . A 13 THR HG23 . 18919 1
82 . 1 1 13 13 THR CA C 13 59.883 0.039 . . . . . A 13 THR CA . 18919 1
83 . 1 1 13 13 THR N N 15 115.326 0.042 . . . . . A 13 THR N . 18919 1
84 . 1 1 14 14 LEU H H 1 9.500 0.007 . . . . . A 14 LEU H . 18919 1
85 . 1 1 14 14 LEU HA H 1 3.755 0.006 . . . . . A 14 LEU HA . 18919 1
86 . 1 1 14 14 LEU HB2 H 1 1.503 0.017 . . . . . A 14 LEU HB2 . 18919 1
87 . 1 1 14 14 LEU HB3 H 1 1.390 0.007 . . . . . A 14 LEU HB3 . 18919 1
88 . 1 1 14 14 LEU HD11 H 1 0.691 0.011 . . . . . A 14 LEU HD11 . 18919 1
89 . 1 1 14 14 LEU HD12 H 1 0.691 0.011 . . . . . A 14 LEU HD12 . 18919 1
90 . 1 1 14 14 LEU HD13 H 1 0.691 0.011 . . . . . A 14 LEU HD13 . 18919 1
91 . 1 1 14 14 LEU HD21 H 1 0.826 0.007 . . . . . A 14 LEU HD21 . 18919 1
92 . 1 1 14 14 LEU HD22 H 1 0.826 0.007 . . . . . A 14 LEU HD22 . 18919 1
93 . 1 1 14 14 LEU HD23 H 1 0.826 0.007 . . . . . A 14 LEU HD23 . 18919 1
94 . 1 1 14 14 LEU CA C 13 57.859 0.054 . . . . . A 14 LEU CA . 18919 1
95 . 1 1 14 14 LEU CD2 C 13 20.965 0.022 . . . . . A 14 LEU CD2 . 18919 1
96 . 1 1 14 14 LEU N N 15 123.402 0.016 . . . . . A 14 LEU N . 18919 1
97 . 1 1 15 15 GLU H H 1 8.134 0.004 . . . . . A 15 GLU H . 18919 1
98 . 1 1 15 15 GLU HA H 1 3.612 0.005 . . . . . A 15 GLU HA . 18919 1
99 . 1 1 15 15 GLU HB2 H 1 1.763 0.009 . . . . . A 15 GLU HB2 . 18919 1
100 . 1 1 15 15 GLU HB3 H 1 1.763 0.009 . . . . . A 15 GLU HB3 . 18919 1
101 . 1 1 15 15 GLU HG2 H 1 2.050 0.000 . . . . . A 15 GLU HG2 . 18919 1
102 . 1 1 15 15 GLU HG3 H 1 2.050 0.000 . . . . . A 15 GLU HG3 . 18919 1
103 . 1 1 15 15 GLU CA C 13 58.853 0.029 . . . . . A 15 GLU CA . 18919 1
104 . 1 1 15 15 GLU N N 15 116.653 0.038 . . . . . A 15 GLU N . 18919 1
105 . 1 1 16 16 GLU H H 1 7.489 0.006 . . . . . A 16 GLU H . 18919 1
106 . 1 1 16 16 GLU HA H 1 3.857 0.006 . . . . . A 16 GLU HA . 18919 1
107 . 1 1 16 16 GLU HB2 H 1 2.201 0.006 . . . . . A 16 GLU HB2 . 18919 1
108 . 1 1 16 16 GLU HB3 H 1 2.049 0.014 . . . . . A 16 GLU HB3 . 18919 1
109 . 1 1 16 16 GLU HG2 H 1 2.497 0.006 . . . . . A 16 GLU HG2 . 18919 1
110 . 1 1 16 16 GLU HG3 H 1 2.497 0.006 . . . . . A 16 GLU HG3 . 18919 1
111 . 1 1 16 16 GLU CA C 13 58.243 0.027 . . . . . A 16 GLU CA . 18919 1
112 . 1 1 16 16 GLU CB C 13 29.853 0.056 . . . . . A 16 GLU CB . 18919 1
113 . 1 1 16 16 GLU CG C 13 33.540 0.048 . . . . . A 16 GLU CG . 18919 1
114 . 1 1 16 16 GLU N N 15 118.743 0.027 . . . . . A 16 GLU N . 18919 1
115 . 1 1 17 17 ILE H H 1 8.255 0.005 . . . . . A 17 ILE H . 18919 1
116 . 1 1 17 17 ILE HA H 1 3.374 0.004 . . . . . A 17 ILE HA . 18919 1
117 . 1 1 17 17 ILE HB H 1 1.576 0.010 . . . . . A 17 ILE HB . 18919 1
118 . 1 1 17 17 ILE HG12 H 1 0.491 0.004 . . . . . A 17 ILE HG12 . 18919 1
119 . 1 1 17 17 ILE HG13 H 1 0.501 0.004 . . . . . A 17 ILE HG13 . 18919 1
120 . 1 1 17 17 ILE HG21 H 1 0.483 0.007 . . . . . A 17 ILE HG21 . 18919 1
121 . 1 1 17 17 ILE HG22 H 1 0.483 0.007 . . . . . A 17 ILE HG22 . 18919 1
122 . 1 1 17 17 ILE HG23 H 1 0.483 0.007 . . . . . A 17 ILE HG23 . 18919 1
123 . 1 1 17 17 ILE HD11 H 1 0.498 0.006 . . . . . A 17 ILE HD11 . 18919 1
124 . 1 1 17 17 ILE HD12 H 1 0.498 0.006 . . . . . A 17 ILE HD12 . 18919 1
125 . 1 1 17 17 ILE HD13 H 1 0.498 0.006 . . . . . A 17 ILE HD13 . 18919 1
126 . 1 1 17 17 ILE CB C 13 39.103 0.142 . . . . . A 17 ILE CB . 18919 1
127 . 1 1 17 17 ILE N N 15 121.104 0.025 . . . . . A 17 ILE N . 18919 1
128 . 1 1 18 18 LYS H H 1 7.730 0.004 . . . . . A 18 LYS H . 18919 1
129 . 1 1 18 18 LYS HA H 1 4.130 0.006 . . . . . A 18 LYS HA . 18919 1
130 . 1 1 18 18 LYS HB2 H 1 2.058 0.002 . . . . . A 18 LYS HB2 . 18919 1
131 . 1 1 18 18 LYS HB3 H 1 2.058 0.002 . . . . . A 18 LYS HB3 . 18919 1
132 . 1 1 18 18 LYS HG2 H 1 1.351 0.000 . . . . . A 18 LYS HG2 . 18919 1
133 . 1 1 18 18 LYS HG3 H 1 1.351 0.000 . . . . . A 18 LYS HG3 . 18919 1
134 . 1 1 18 18 LYS HD2 H 1 1.602 0.002 . . . . . A 18 LYS HD2 . 18919 1
135 . 1 1 18 18 LYS HD3 H 1 1.602 0.002 . . . . . A 18 LYS HD3 . 18919 1
136 . 1 1 18 18 LYS HE2 H 1 3.382 0.004 . . . . . A 18 LYS HE2 . 18919 1
137 . 1 1 18 18 LYS HE3 H 1 3.382 0.004 . . . . . A 18 LYS HE3 . 18919 1
138 . 1 1 18 18 LYS CA C 13 57.843 0.082 . . . . . A 18 LYS CA . 18919 1
139 . 1 1 18 18 LYS N N 15 116.369 0.022 . . . . . A 18 LYS N . 18919 1
140 . 1 1 19 19 LYS H H 1 6.870 0.005 . . . . . A 19 LYS H . 18919 1
141 . 1 1 19 19 LYS HA H 1 3.765 0.007 . . . . . A 19 LYS HA . 18919 1
142 . 1 1 19 19 LYS HB2 H 1 1.372 0.006 . . . . . A 19 LYS HB2 . 18919 1
143 . 1 1 19 19 LYS HB3 H 1 1.372 0.006 . . . . . A 19 LYS HB3 . 18919 1
144 . 1 1 19 19 LYS HG2 H 1 1.093 0.001 . . . . . A 19 LYS HG2 . 18919 1
145 . 1 1 19 19 LYS HG3 H 1 1.093 0.001 . . . . . A 19 LYS HG3 . 18919 1
146 . 1 1 19 19 LYS HD2 H 1 1.209 0.006 . . . . . A 19 LYS HD2 . 18919 1
147 . 1 1 19 19 LYS HD3 H 1 1.209 0.006 . . . . . A 19 LYS HD3 . 18919 1
148 . 1 1 19 19 LYS HE2 H 1 2.684 0.008 . . . . . A 19 LYS HE2 . 18919 1
149 . 1 1 19 19 LYS HE3 H 1 2.684 0.008 . . . . . A 19 LYS HE3 . 18919 1
150 . 1 1 19 19 LYS CA C 13 56.493 0.055 . . . . . A 19 LYS CA . 18919 1
151 . 1 1 19 19 LYS CG C 13 26.394 0.061 . . . . . A 19 LYS CG . 18919 1
152 . 1 1 19 19 LYS N N 15 114.183 0.016 . . . . . A 19 LYS N . 18919 1
153 . 1 1 20 20 HIS H H 1 7.559 0.004 . . . . . A 20 HIS H . 18919 1
154 . 1 1 20 20 HIS HA H 1 3.768 0.008 . . . . . A 20 HIS HA . 18919 1
155 . 1 1 20 20 HIS HB2 H 1 2.044 0.000 . . . . . A 20 HIS HB2 . 18919 1
156 . 1 1 20 20 HIS HB3 H 1 1.593 0.001 . . . . . A 20 HIS HB3 . 18919 1
157 . 1 1 20 20 HIS HD2 H 1 6.636 0.000 . . . . . A 20 HIS HD2 . 18919 1
158 . 1 1 20 20 HIS CA C 13 52.950 0.080 . . . . . A 20 HIS CA . 18919 1
159 . 1 1 20 20 HIS N N 15 121.788 0.020 . . . . . A 20 HIS N . 18919 1
160 . 1 1 21 21 ASN H H 1 7.240 0.006 . . . . . A 21 ASN H . 18919 1
161 . 1 1 21 21 ASN HA H 1 4.478 0.006 . . . . . A 21 ASN HA . 18919 1
162 . 1 1 21 21 ASN HB2 H 1 2.752 0.004 . . . . . A 21 ASN HB2 . 18919 1
163 . 1 1 21 21 ASN HB3 H 1 2.049 0.003 . . . . . A 21 ASN HB3 . 18919 1
164 . 1 1 21 21 ASN HD21 H 1 7.286 0.005 . . . . . A 21 ASN HD21 . 18919 1
165 . 1 1 21 21 ASN HD22 H 1 6.330 0.006 . . . . . A 21 ASN HD22 . 18919 1
166 . 1 1 21 21 ASN CA C 13 50.639 0.049 . . . . . A 21 ASN CA . 18919 1
167 . 1 1 21 21 ASN CB C 13 38.352 0.129 . . . . . A 21 ASN CB . 18919 1
168 . 1 1 21 21 ASN N N 15 118.088 0.018 . . . . . A 21 ASN N . 18919 1
169 . 1 1 21 21 ASN ND2 N 15 109.453 0.026 . . . . . A 21 ASN ND2 . 18919 1
170 . 1 1 22 22 HIS H H 1 7.335 0.005 . . . . . A 22 HIS H . 18919 1
171 . 1 1 22 22 HIS HA H 1 4.910 0.005 . . . . . A 22 HIS HA . 18919 1
172 . 1 1 22 22 HIS HB2 H 1 3.117 0.006 . . . . . A 22 HIS HB2 . 18919 1
173 . 1 1 22 22 HIS HB3 H 1 2.742 0.008 . . . . . A 22 HIS HB3 . 18919 1
174 . 1 1 22 22 HIS HD2 H 1 7.064 0.004 . . . . . A 22 HIS HD2 . 18919 1
175 . 1 1 22 22 HIS CA C 13 53.917 0.021 . . . . . A 22 HIS CA . 18919 1
176 . 1 1 22 22 HIS CB C 13 34.148 0.047 . . . . . A 22 HIS CB . 18919 1
177 . 1 1 22 22 HIS N N 15 117.219 0.014 . . . . . A 22 HIS N . 18919 1
178 . 1 1 23 23 SER H H 1 8.248 0.000 . . . . . A 23 SER H . 18919 1
179 . 1 1 23 23 SER HA H 1 4.160 0.004 . . . . . A 23 SER HA . 18919 1
180 . 1 1 23 23 SER HB2 H 1 3.882 0.009 . . . . . A 23 SER HB2 . 18919 1
181 . 1 1 23 23 SER HB3 H 1 3.651 0.005 . . . . . A 23 SER HB3 . 18919 1
182 . 1 1 24 24 LYS H H 1 8.232 0.003 . . . . . A 24 LYS H . 18919 1
183 . 1 1 24 24 LYS HA H 1 4.343 0.005 . . . . . A 24 LYS HA . 18919 1
184 . 1 1 24 24 LYS HB2 H 1 1.962 0.005 . . . . . A 24 LYS HB2 . 18919 1
185 . 1 1 24 24 LYS HB3 H 1 1.714 0.001 . . . . . A 24 LYS HB3 . 18919 1
186 . 1 1 24 24 LYS HG2 H 1 1.450 0.005 . . . . . A 24 LYS HG2 . 18919 1
187 . 1 1 24 24 LYS HD2 H 1 1.335 0.003 . . . . . A 24 LYS HD2 . 18919 1
188 . 1 1 24 24 LYS HD3 H 1 1.335 0.003 . . . . . A 24 LYS HD3 . 18919 1
189 . 1 1 24 24 LYS CA C 13 55.554 0.059 . . . . . A 24 LYS CA . 18919 1
190 . 1 1 24 24 LYS N N 15 118.104 0.039 . . . . . A 24 LYS N . 18919 1
191 . 1 1 25 25 SER H H 1 6.830 0.004 . . . . . A 25 SER H . 18919 1
192 . 1 1 25 25 SER HA H 1 4.512 0.011 . . . . . A 25 SER HA . 18919 1
193 . 1 1 25 25 SER HB2 H 1 3.660 0.006 . . . . . A 25 SER HB2 . 18919 1
194 . 1 1 25 25 SER HB3 H 1 3.067 0.005 . . . . . A 25 SER HB3 . 18919 1
195 . 1 1 25 25 SER CA C 13 57.795 0.043 . . . . . A 25 SER CA . 18919 1
196 . 1 1 25 25 SER CB C 13 61.071 0.084 . . . . . A 25 SER CB . 18919 1
197 . 1 1 25 25 SER N N 15 115.381 0.029 . . . . . A 25 SER N . 18919 1
198 . 1 1 26 26 THR H H 1 8.685 0.005 . . . . . A 26 THR H . 18919 1
199 . 1 1 26 26 THR HA H 1 4.061 0.007 . . . . . A 26 THR HA . 18919 1
200 . 1 1 26 26 THR HB H 1 3.423 0.010 . . . . . A 26 THR HB . 18919 1
201 . 1 1 26 26 THR HG21 H 1 0.588 0.005 . . . . . A 26 THR HG21 . 18919 1
202 . 1 1 26 26 THR HG22 H 1 0.588 0.005 . . . . . A 26 THR HG22 . 18919 1
203 . 1 1 26 26 THR HG23 H 1 0.588 0.005 . . . . . A 26 THR HG23 . 18919 1
204 . 1 1 26 26 THR CA C 13 62.088 0.029 . . . . . A 26 THR CA . 18919 1
205 . 1 1 26 26 THR CB C 13 71.653 0.028 . . . . . A 26 THR CB . 18919 1
206 . 1 1 26 26 THR N N 15 125.199 0.027 . . . . . A 26 THR N . 18919 1
207 . 1 1 27 27 TRP H H 1 8.621 0.005 . . . . . A 27 TRP H . 18919 1
208 . 1 1 27 27 TRP HA H 1 5.936 0.007 . . . . . A 27 TRP HA . 18919 1
209 . 1 1 27 27 TRP HB2 H 1 2.745 0.006 . . . . . A 27 TRP HB2 . 18919 1
210 . 1 1 27 27 TRP HB3 H 1 2.484 0.006 . . . . . A 27 TRP HB3 . 18919 1
211 . 1 1 27 27 TRP HD1 H 1 6.495 0.004 . . . . . A 27 TRP HD1 . 18919 1
212 . 1 1 27 27 TRP HE1 H 1 8.479 0.007 . . . . . A 27 TRP HE1 . 18919 1
213 . 1 1 27 27 TRP HE3 H 1 6.410 0.024 . . . . . A 27 TRP HE3 . 18919 1
214 . 1 1 27 27 TRP HZ2 H 1 6.342 0.004 . . . . . A 27 TRP HZ2 . 18919 1
215 . 1 1 27 27 TRP HZ3 H 1 5.510 0.002 . . . . . A 27 TRP HZ3 . 18919 1
216 . 1 1 27 27 TRP HH2 H 1 6.131 0.003 . . . . . A 27 TRP HH2 . 18919 1
217 . 1 1 27 27 TRP CA C 13 51.650 0.042 . . . . . A 27 TRP CA . 18919 1
218 . 1 1 27 27 TRP N N 15 127.090 0.029 . . . . . A 27 TRP N . 18919 1
219 . 1 1 27 27 TRP NE1 N 15 124.826 0.033 . . . . . A 27 TRP NE1 . 18919 1
220 . 1 1 28 28 LEU H H 1 8.251 0.005 . . . . . A 28 LEU H . 18919 1
221 . 1 1 28 28 LEU HA H 1 4.214 0.011 . . . . . A 28 LEU HA . 18919 1
222 . 1 1 28 28 LEU HB2 H 1 0.445 0.018 . . . . . A 28 LEU HB2 . 18919 1
223 . 1 1 28 28 LEU HB3 H 1 0.923 0.006 . . . . . A 28 LEU HB3 . 18919 1
224 . 1 1 28 28 LEU HD11 H 1 -0.814 0.013 . . . . . A 28 LEU HD11 . 18919 1
225 . 1 1 28 28 LEU HD12 H 1 -0.814 0.013 . . . . . A 28 LEU HD12 . 18919 1
226 . 1 1 28 28 LEU HD13 H 1 -0.814 0.013 . . . . . A 28 LEU HD13 . 18919 1
227 . 1 1 28 28 LEU HD21 H 1 -0.987 0.010 . . . . . A 28 LEU HD21 . 18919 1
228 . 1 1 28 28 LEU HD22 H 1 -0.987 0.010 . . . . . A 28 LEU HD22 . 18919 1
229 . 1 1 28 28 LEU HD23 H 1 -0.987 0.010 . . . . . A 28 LEU HD23 . 18919 1
230 . 1 1 28 28 LEU CA C 13 53.748 0.035 . . . . . A 28 LEU CA . 18919 1
231 . 1 1 28 28 LEU CB C 13 44.705 0.039 . . . . . A 28 LEU CB . 18919 1
232 . 1 1 28 28 LEU CD1 C 13 24.012 0.055 . . . . . A 28 LEU CD1 . 18919 1
233 . 1 1 28 28 LEU CD2 C 13 22.871 0.050 . . . . . A 28 LEU CD2 . 18919 1
234 . 1 1 28 28 LEU N N 15 116.081 0.032 . . . . . A 28 LEU N . 18919 1
235 . 1 1 29 29 ILE H H 1 7.766 0.007 . . . . . A 29 ILE H . 18919 1
236 . 1 1 29 29 ILE HA H 1 4.736 0.005 . . . . . A 29 ILE HA . 18919 1
237 . 1 1 29 29 ILE HB H 1 1.123 0.009 . . . . . A 29 ILE HB . 18919 1
238 . 1 1 29 29 ILE HG12 H 1 0.429 0.006 . . . . . A 29 ILE HG12 . 18919 1
239 . 1 1 29 29 ILE HG13 H 1 0.294 0.000 . . . . . A 29 ILE HG13 . 18919 1
240 . 1 1 29 29 ILE HG21 H 1 1.019 0.004 . . . . . A 29 ILE HG21 . 18919 1
241 . 1 1 29 29 ILE HG22 H 1 1.019 0.004 . . . . . A 29 ILE HG22 . 18919 1
242 . 1 1 29 29 ILE HG23 H 1 1.019 0.004 . . . . . A 29 ILE HG23 . 18919 1
243 . 1 1 29 29 ILE CA C 13 58.550 0.027 . . . . . A 29 ILE CA . 18919 1
244 . 1 1 29 29 ILE CB C 13 40.355 0.057 . . . . . A 29 ILE CB . 18919 1
245 . 1 1 29 29 ILE CG1 C 13 18.207 0.090 . . . . . A 29 ILE CG1 . 18919 1
246 . 1 1 29 29 ILE N N 15 120.670 0.019 . . . . . A 29 ILE N . 18919 1
247 . 1 1 30 30 LEU H H 1 8.112 0.007 . . . . . A 30 LEU H . 18919 1
248 . 1 1 30 30 LEU HA H 1 4.139 0.005 . . . . . A 30 LEU HA . 18919 1
249 . 1 1 30 30 LEU HB2 H 1 -0.050 0.009 . . . . . A 30 LEU HB2 . 18919 1
250 . 1 1 30 30 LEU HB3 H 1 1.054 0.010 . . . . . A 30 LEU HB3 . 18919 1
251 . 1 1 30 30 LEU HG H 1 -0.406 0.011 . . . . . A 30 LEU HG . 18919 1
252 . 1 1 30 30 LEU HD11 H 1 -2.325 0.008 . . . . . A 30 LEU HD11 . 18919 1
253 . 1 1 30 30 LEU HD12 H 1 -2.325 0.008 . . . . . A 30 LEU HD12 . 18919 1
254 . 1 1 30 30 LEU HD13 H 1 -2.325 0.008 . . . . . A 30 LEU HD13 . 18919 1
255 . 1 1 30 30 LEU HD21 H 1 -1.083 0.006 . . . . . A 30 LEU HD21 . 18919 1
256 . 1 1 30 30 LEU HD22 H 1 -1.083 0.006 . . . . . A 30 LEU HD22 . 18919 1
257 . 1 1 30 30 LEU HD23 H 1 -1.083 0.006 . . . . . A 30 LEU HD23 . 18919 1
258 . 1 1 30 30 LEU CB C 13 42.851 0.071 . . . . . A 30 LEU CB . 18919 1
259 . 1 1 30 30 LEU CG C 13 24.616 0.054 . . . . . A 30 LEU CG . 18919 1
260 . 1 1 30 30 LEU CD1 C 13 19.649 0.055 . . . . . A 30 LEU CD1 . 18919 1
261 . 1 1 30 30 LEU CD2 C 13 21.770 0.061 . . . . . A 30 LEU CD2 . 18919 1
262 . 1 1 30 30 LEU N N 15 121.860 0.022 . . . . . A 30 LEU N . 18919 1
263 . 1 1 31 31 HIS H H 1 9.025 0.005 . . . . . A 31 HIS H . 18919 1
264 . 1 1 31 31 HIS HA H 1 3.563 0.006 . . . . . A 31 HIS HA . 18919 1
265 . 1 1 31 31 HIS HB2 H 1 2.847 0.011 . . . . . A 31 HIS HB2 . 18919 1
266 . 1 1 31 31 HIS HB3 H 1 2.847 0.011 . . . . . A 31 HIS HB3 . 18919 1
267 . 1 1 31 31 HIS HD2 H 1 6.742 0.006 . . . . . A 31 HIS HD2 . 18919 1
268 . 1 1 31 31 HIS HE1 H 1 7.749 0.001 . . . . . A 31 HIS HE1 . 18919 1
269 . 1 1 31 31 HIS CA C 13 56.742 0.047 . . . . . A 31 HIS CA . 18919 1
270 . 1 1 31 31 HIS N N 15 125.665 0.031 . . . . . A 31 HIS N . 18919 1
271 . 1 1 32 32 HIS H H 1 8.342 0.004 . . . . . A 32 HIS H . 18919 1
272 . 1 1 32 32 HIS HA H 1 3.679 0.003 . . . . . A 32 HIS HA . 18919 1
273 . 1 1 32 32 HIS HB2 H 1 3.419 0.004 . . . . . A 32 HIS HB2 . 18919 1
274 . 1 1 32 32 HIS HB3 H 1 2.989 0.006 . . . . . A 32 HIS HB3 . 18919 1
275 . 1 1 32 32 HIS CB C 13 29.432 0.084 . . . . . A 32 HIS CB . 18919 1
276 . 1 1 32 32 HIS N N 15 108.298 0.023 . . . . . A 32 HIS N . 18919 1
277 . 1 1 33 33 LYS H H 1 8.106 0.008 . . . . . A 33 LYS H . 18919 1
278 . 1 1 33 33 LYS HA H 1 4.552 0.020 . . . . . A 33 LYS HA . 18919 1
279 . 1 1 33 33 LYS HB2 H 1 1.901 0.002 . . . . . A 33 LYS HB2 . 18919 1
280 . 1 1 33 33 LYS HB3 H 1 1.901 0.002 . . . . . A 33 LYS HB3 . 18919 1
281 . 1 1 33 33 LYS HG2 H 1 1.147 0.000 . . . . . A 33 LYS HG2 . 18919 1
282 . 1 1 33 33 LYS HG3 H 1 1.147 0.000 . . . . . A 33 LYS HG3 . 18919 1
283 . 1 1 33 33 LYS N N 15 121.807 0.027 . . . . . A 33 LYS N . 18919 1
284 . 1 1 34 34 VAL H H 1 8.030 0.004 . . . . . A 34 VAL H . 18919 1
285 . 1 1 34 34 VAL HA H 1 3.831 0.009 . . . . . A 34 VAL HA . 18919 1
286 . 1 1 34 34 VAL HB H 1 0.801 0.006 . . . . . A 34 VAL HB . 18919 1
287 . 1 1 34 34 VAL HG11 H 1 0.315 0.092 . . . . . A 34 VAL HG11 . 18919 1
288 . 1 1 34 34 VAL HG12 H 1 0.315 0.092 . . . . . A 34 VAL HG12 . 18919 1
289 . 1 1 34 34 VAL HG13 H 1 0.315 0.092 . . . . . A 34 VAL HG13 . 18919 1
290 . 1 1 34 34 VAL HG21 H 1 -0.187 0.006 . . . . . A 34 VAL HG21 . 18919 1
291 . 1 1 34 34 VAL HG22 H 1 -0.187 0.006 . . . . . A 34 VAL HG22 . 18919 1
292 . 1 1 34 34 VAL HG23 H 1 -0.187 0.006 . . . . . A 34 VAL HG23 . 18919 1
293 . 1 1 34 34 VAL CA C 13 61.256 0.098 . . . . . A 34 VAL CA . 18919 1
294 . 1 1 34 34 VAL CB C 13 32.216 0.055 . . . . . A 34 VAL CB . 18919 1
295 . 1 1 34 34 VAL CG1 C 13 18.978 0.044 . . . . . A 34 VAL CG1 . 18919 1
296 . 1 1 34 34 VAL CG2 C 13 18.993 0.032 . . . . . A 34 VAL CG2 . 18919 1
297 . 1 1 34 34 VAL N N 15 120.724 0.020 . . . . . A 34 VAL N . 18919 1
298 . 1 1 35 35 TYR H H 1 8.619 0.004 . . . . . A 35 TYR H . 18919 1
299 . 1 1 35 35 TYR HA H 1 4.169 0.008 . . . . . A 35 TYR HA . 18919 1
300 . 1 1 35 35 TYR HB2 H 1 1.825 0.003 . . . . . A 35 TYR HB2 . 18919 1
301 . 1 1 35 35 TYR HB3 H 1 1.600 0.007 . . . . . A 35 TYR HB3 . 18919 1
302 . 1 1 35 35 TYR HD1 H 1 6.361 0.007 . . . . . A 35 TYR HD1 . 18919 1
303 . 1 1 35 35 TYR HD2 H 1 6.361 0.007 . . . . . A 35 TYR HD2 . 18919 1
304 . 1 1 35 35 TYR HE1 H 1 6.232 0.007 . . . . . A 35 TYR HE1 . 18919 1
305 . 1 1 35 35 TYR HE2 H 1 6.232 0.007 . . . . . A 35 TYR HE2 . 18919 1
306 . 1 1 35 35 TYR N N 15 126.472 0.046 . . . . . A 35 TYR N . 18919 1
307 . 1 1 36 36 ASP H H 1 7.925 0.004 . . . . . A 36 ASP H . 18919 1
308 . 1 1 36 36 ASP HA H 1 4.767 0.005 . . . . . A 36 ASP HA . 18919 1
309 . 1 1 36 36 ASP HB2 H 1 2.693 0.006 . . . . . A 36 ASP HB2 . 18919 1
310 . 1 1 36 36 ASP HB3 H 1 1.582 0.006 . . . . . A 36 ASP HB3 . 18919 1
311 . 1 1 36 36 ASP CA C 13 52.350 0.024 . . . . . A 36 ASP CA . 18919 1
312 . 1 1 36 36 ASP CB C 13 40.681 0.048 . . . . . A 36 ASP CB . 18919 1
313 . 1 1 36 36 ASP N N 15 119.506 0.029 . . . . . A 36 ASP N . 18919 1
314 . 1 1 37 37 LEU H H 1 8.176 0.007 . . . . . A 37 LEU H . 18919 1
315 . 1 1 37 37 LEU HA H 1 4.051 0.005 . . . . . A 37 LEU HA . 18919 1
316 . 1 1 37 37 LEU HB2 H 1 1.462 0.009 . . . . . A 37 LEU HB2 . 18919 1
317 . 1 1 37 37 LEU HB3 H 1 0.817 0.005 . . . . . A 37 LEU HB3 . 18919 1
318 . 1 1 37 37 LEU HD11 H 1 0.705 0.009 . . . . . A 37 LEU HD11 . 18919 1
319 . 1 1 37 37 LEU HD12 H 1 0.705 0.009 . . . . . A 37 LEU HD12 . 18919 1
320 . 1 1 37 37 LEU HD13 H 1 0.705 0.009 . . . . . A 37 LEU HD13 . 18919 1
321 . 1 1 37 37 LEU CA C 13 52.308 0.020 . . . . . A 37 LEU CA . 18919 1
322 . 1 1 37 37 LEU CB C 13 41.957 0.035 . . . . . A 37 LEU CB . 18919 1
323 . 1 1 37 37 LEU N N 15 122.705 0.021 . . . . . A 37 LEU N . 18919 1
324 . 1 1 38 38 THR H H 1 8.472 0.005 . . . . . A 38 THR H . 18919 1
325 . 1 1 38 38 THR HA H 1 3.485 0.006 . . . . . A 38 THR HA . 18919 1
326 . 1 1 38 38 THR HB H 1 4.115 0.010 . . . . . A 38 THR HB . 18919 1
327 . 1 1 38 38 THR HG21 H 1 1.131 0.004 . . . . . A 38 THR HG21 . 18919 1
328 . 1 1 38 38 THR HG22 H 1 1.131 0.004 . . . . . A 38 THR HG22 . 18919 1
329 . 1 1 38 38 THR HG23 H 1 1.131 0.004 . . . . . A 38 THR HG23 . 18919 1
330 . 1 1 38 38 THR CA C 13 68.689 0.014 . . . . . A 38 THR CA . 18919 1
331 . 1 1 38 38 THR CG2 C 13 18.112 0.037 . . . . . A 38 THR CG2 . 18919 1
332 . 1 1 38 38 THR N N 15 119.266 0.022 . . . . . A 38 THR N . 18919 1
333 . 1 1 39 39 LYS H H 1 8.733 0.005 . . . . . A 39 LYS H . 18919 1
334 . 1 1 39 39 LYS HA H 1 4.380 0.006 . . . . . A 39 LYS HA . 18919 1
335 . 1 1 39 39 LYS HB2 H 1 2.022 0.001 . . . . . A 39 LYS HB2 . 18919 1
336 . 1 1 39 39 LYS HB3 H 1 1.793 0.003 . . . . . A 39 LYS HB3 . 18919 1
337 . 1 1 39 39 LYS HG2 H 1 1.496 0.010 . . . . . A 39 LYS HG2 . 18919 1
338 . 1 1 39 39 LYS HG3 H 1 1.496 0.010 . . . . . A 39 LYS HG3 . 18919 1
339 . 1 1 39 39 LYS HD2 H 1 1.680 0.007 . . . . . A 39 LYS HD2 . 18919 1
340 . 1 1 39 39 LYS HD3 H 1 1.680 0.007 . . . . . A 39 LYS HD3 . 18919 1
341 . 1 1 39 39 LYS HE2 H 1 2.962 0.003 . . . . . A 39 LYS HE2 . 18919 1
342 . 1 1 39 39 LYS HE3 H 1 2.962 0.003 . . . . . A 39 LYS HE3 . 18919 1
343 . 1 1 39 39 LYS CA C 13 57.038 0.056 . . . . . A 39 LYS CA . 18919 1
344 . 1 1 39 39 LYS CG C 13 22.426 0.047 . . . . . A 39 LYS CG . 18919 1
345 . 1 1 39 39 LYS N N 15 117.328 0.022 . . . . . A 39 LYS N . 18919 1
346 . 1 1 40 40 PHE H H 1 7.955 0.006 . . . . . A 40 PHE H . 18919 1
347 . 1 1 40 40 PHE HA H 1 5.010 0.023 . . . . . A 40 PHE HA . 18919 1
348 . 1 1 40 40 PHE HB2 H 1 2.707 0.004 . . . . . A 40 PHE HB2 . 18919 1
349 . 1 1 40 40 PHE HB3 H 1 2.399 0.006 . . . . . A 40 PHE HB3 . 18919 1
350 . 1 1 40 40 PHE HD1 H 1 7.416 0.003 . . . . . A 40 PHE HD1 . 18919 1
351 . 1 1 40 40 PHE CA C 13 56.950 0.070 . . . . . A 40 PHE CA . 18919 1
352 . 1 1 40 40 PHE N N 15 120.222 0.035 . . . . . A 40 PHE N . 18919 1
353 . 1 1 41 41 LEU H H 1 7.679 0.004 . . . . . A 41 LEU H . 18919 1
354 . 1 1 41 41 LEU HA H 1 4.696 0.006 . . . . . A 41 LEU HA . 18919 1
355 . 1 1 41 41 LEU HB2 H 1 2.003 0.135 . . . . . A 41 LEU HB2 . 18919 1
356 . 1 1 41 41 LEU HB3 H 1 2.225 0.005 . . . . . A 41 LEU HB3 . 18919 1
357 . 1 1 41 41 LEU HG H 1 2.299 0.001 . . . . . A 41 LEU HG . 18919 1
358 . 1 1 41 41 LEU HD11 H 1 1.104 0.007 . . . . . A 41 LEU HD11 . 18919 1
359 . 1 1 41 41 LEU HD12 H 1 1.104 0.007 . . . . . A 41 LEU HD12 . 18919 1
360 . 1 1 41 41 LEU HD13 H 1 1.104 0.007 . . . . . A 41 LEU HD13 . 18919 1
361 . 1 1 41 41 LEU HD21 H 1 1.031 0.007 . . . . . A 41 LEU HD21 . 18919 1
362 . 1 1 41 41 LEU HD22 H 1 1.031 0.007 . . . . . A 41 LEU HD22 . 18919 1
363 . 1 1 41 41 LEU HD23 H 1 1.031 0.007 . . . . . A 41 LEU HD23 . 18919 1
364 . 1 1 41 41 LEU CA C 13 60.124 0.031 . . . . . A 41 LEU CA . 18919 1
365 . 1 1 41 41 LEU CB C 13 42.793 0.038 . . . . . A 41 LEU CB . 18919 1
366 . 1 1 41 41 LEU CG C 13 24.177 0.074 . . . . . A 41 LEU CG . 18919 1
367 . 1 1 41 41 LEU CD2 C 13 21.877 0.030 . . . . . A 41 LEU CD2 . 18919 1
368 . 1 1 41 41 LEU N N 15 119.704 0.025 . . . . . A 41 LEU N . 18919 1
369 . 1 1 42 42 GLU H H 1 8.435 0.006 . . . . . A 42 GLU H . 18919 1
370 . 1 1 42 42 GLU HA H 1 4.752 0.005 . . . . . A 42 GLU HA . 18919 1
371 . 1 1 42 42 GLU HB2 H 1 2.349 0.005 . . . . . A 42 GLU HB2 . 18919 1
372 . 1 1 42 42 GLU HB3 H 1 2.209 0.004 . . . . . A 42 GLU HB3 . 18919 1
373 . 1 1 42 42 GLU HG2 H 1 2.492 0.003 . . . . . A 42 GLU HG2 . 18919 1
374 . 1 1 42 42 GLU HG3 H 1 2.492 0.003 . . . . . A 42 GLU HG3 . 18919 1
375 . 1 1 42 42 GLU CA C 13 57.775 0.070 . . . . . A 42 GLU CA . 18919 1
376 . 1 1 42 42 GLU CB C 13 30.128 0.024 . . . . . A 42 GLU CB . 18919 1
377 . 1 1 42 42 GLU N N 15 112.489 0.017 . . . . . A 42 GLU N . 18919 1
378 . 1 1 43 43 GLU H H 1 8.157 0.003 . . . . . A 43 GLU H . 18919 1
379 . 1 1 43 43 GLU HA H 1 4.704 0.008 . . . . . A 43 GLU HA . 18919 1
380 . 1 1 43 43 GLU HB2 H 1 2.313 0.016 . . . . . A 43 GLU HB2 . 18919 1
381 . 1 1 43 43 GLU HB3 H 1 2.228 0.005 . . . . . A 43 GLU HB3 . 18919 1
382 . 1 1 43 43 GLU HG2 H 1 2.477 0.005 . . . . . A 43 GLU HG2 . 18919 1
383 . 1 1 43 43 GLU HG3 H 1 2.477 0.005 . . . . . A 43 GLU HG3 . 18919 1
384 . 1 1 43 43 GLU CA C 13 55.567 0.045 . . . . . A 43 GLU CA . 18919 1
385 . 1 1 43 43 GLU CB C 13 31.929 0.054 . . . . . A 43 GLU CB . 18919 1
386 . 1 1 43 43 GLU N N 15 118.124 0.016 . . . . . A 43 GLU N . 18919 1
387 . 1 1 44 44 HIS H H 1 8.879 0.005 . . . . . A 44 HIS H . 18919 1
388 . 1 1 44 44 HIS HA H 1 6.623 0.000 . . . . . A 44 HIS HA . 18919 1
389 . 1 1 44 44 HIS HB3 H 1 7.261 0.003 . . . . . A 44 HIS HB3 . 18919 1
390 . 1 1 44 44 HIS N N 15 120.251 0.036 . . . . . A 44 HIS N . 18919 1
391 . 1 1 45 45 PRO HA H 1 4.268 0.004 . . . . . A 45 PRO HA . 18919 1
392 . 1 1 45 45 PRO HB2 H 1 2.075 0.001 . . . . . A 45 PRO HB2 . 18919 1
393 . 1 1 45 45 PRO HB3 H 1 2.075 0.001 . . . . . A 45 PRO HB3 . 18919 1
394 . 1 1 45 45 PRO HG2 H 1 1.787 0.008 . . . . . A 45 PRO HG2 . 18919 1
395 . 1 1 45 45 PRO HG3 H 1 1.787 0.008 . . . . . A 45 PRO HG3 . 18919 1
396 . 1 1 45 45 PRO CA C 13 63.129 0.049 . . . . . A 45 PRO CA . 18919 1
397 . 1 1 46 46 GLY H H 1 8.571 0.004 . . . . . A 46 GLY H . 18919 1
398 . 1 1 46 46 GLY HA2 H 1 3.816 0.002 . . . . . A 46 GLY HA2 . 18919 1
399 . 1 1 46 46 GLY HA3 H 1 3.816 0.002 . . . . . A 46 GLY HA3 . 18919 1
400 . 1 1 46 46 GLY N N 15 110.092 0.016 . . . . . A 46 GLY N . 18919 1
401 . 1 1 47 47 GLY H H 1 10.468 0.039 . . . . . A 47 GLY H . 18919 1
402 . 1 1 47 47 GLY HA2 H 1 5.978 0.004 . . . . . A 47 GLY HA2 . 18919 1
403 . 1 1 47 47 GLY HA3 H 1 5.662 0.008 . . . . . A 47 GLY HA3 . 18919 1
404 . 1 1 47 47 GLY CA C 13 46.257 0.067 . . . . . A 47 GLY CA . 18919 1
405 . 1 1 48 48 GLU H H 1 9.910 0.005 . . . . . A 48 GLU H . 18919 1
406 . 1 1 48 48 GLU HA H 1 5.763 0.008 . . . . . A 48 GLU HA . 18919 1
407 . 1 1 48 48 GLU HB2 H 1 2.754 0.020 . . . . . A 48 GLU HB2 . 18919 1
408 . 1 1 48 48 GLU HB3 H 1 2.648 0.005 . . . . . A 48 GLU HB3 . 18919 1
409 . 1 1 48 48 GLU HG2 H 1 2.752 0.000 . . . . . A 48 GLU HG2 . 18919 1
410 . 1 1 48 48 GLU HG3 H 1 2.752 0.000 . . . . . A 48 GLU HG3 . 18919 1
411 . 1 1 48 48 GLU CA C 13 59.041 0.105 . . . . . A 48 GLU CA . 18919 1
412 . 1 1 48 48 GLU CB C 13 31.750 0.113 . . . . . A 48 GLU CB . 18919 1
413 . 1 1 48 48 GLU CG C 13 33.715 0.044 . . . . . A 48 GLU CG . 18919 1
414 . 1 1 48 48 GLU N N 15 121.367 0.023 . . . . . A 48 GLU N . 18919 1
415 . 1 1 49 49 GLU H H 1 9.477 0.004 . . . . . A 49 GLU H . 18919 1
416 . 1 1 49 49 GLU HA H 1 4.073 0.006 . . . . . A 49 GLU HA . 18919 1
417 . 1 1 49 49 GLU HB2 H 1 2.348 0.004 . . . . . A 49 GLU HB2 . 18919 1
418 . 1 1 49 49 GLU HB3 H 1 2.195 0.004 . . . . . A 49 GLU HB3 . 18919 1
419 . 1 1 49 49 GLU HG2 H 1 2.450 0.008 . . . . . A 49 GLU HG2 . 18919 1
420 . 1 1 49 49 GLU HG3 H 1 2.450 0.008 . . . . . A 49 GLU HG3 . 18919 1
421 . 1 1 49 49 GLU CA C 13 61.330 0.028 . . . . . A 49 GLU CA . 18919 1
422 . 1 1 49 49 GLU CB C 13 29.165 0.013 . . . . . A 49 GLU CB . 18919 1
423 . 1 1 49 49 GLU N N 15 124.267 0.044 . . . . . A 49 GLU N . 18919 1
424 . 1 1 50 50 VAL H H 1 9.248 0.018 . . . . . A 50 VAL H . 18919 1
425 . 1 1 50 50 VAL HA H 1 3.883 0.009 . . . . . A 50 VAL HA . 18919 1
426 . 1 1 50 50 VAL HB H 1 1.993 0.003 . . . . . A 50 VAL HB . 18919 1
427 . 1 1 50 50 VAL HG11 H 1 1.442 0.008 . . . . . A 50 VAL HG11 . 18919 1
428 . 1 1 50 50 VAL HG12 H 1 1.442 0.008 . . . . . A 50 VAL HG12 . 18919 1
429 . 1 1 50 50 VAL HG13 H 1 1.442 0.008 . . . . . A 50 VAL HG13 . 18919 1
430 . 1 1 50 50 VAL HG21 H 1 1.361 0.003 . . . . . A 50 VAL HG21 . 18919 1
431 . 1 1 50 50 VAL HG22 H 1 1.361 0.003 . . . . . A 50 VAL HG22 . 18919 1
432 . 1 1 50 50 VAL HG23 H 1 1.361 0.003 . . . . . A 50 VAL HG23 . 18919 1
433 . 1 1 50 50 VAL CA C 13 63.688 0.067 . . . . . A 50 VAL CA . 18919 1
434 . 1 1 50 50 VAL N N 15 112.543 0.048 . . . . . A 50 VAL N . 18919 1
435 . 1 1 51 51 LEU H H 1 7.207 0.007 . . . . . A 51 LEU H . 18919 1
436 . 1 1 51 51 LEU HA H 1 2.873 0.008 . . . . . A 51 LEU HA . 18919 1
437 . 1 1 51 51 LEU HB2 H 1 2.573 0.014 . . . . . A 51 LEU HB2 . 18919 1
438 . 1 1 51 51 LEU HB3 H 1 2.573 0.014 . . . . . A 51 LEU HB3 . 18919 1
439 . 1 1 51 51 LEU HD11 H 1 0.573 0.004 . . . . . A 51 LEU HD11 . 18919 1
440 . 1 1 51 51 LEU HD12 H 1 0.573 0.004 . . . . . A 51 LEU HD12 . 18919 1
441 . 1 1 51 51 LEU HD13 H 1 0.573 0.004 . . . . . A 51 LEU HD13 . 18919 1
442 . 1 1 51 51 LEU CA C 13 55.692 0.042 . . . . . A 51 LEU CA . 18919 1
443 . 1 1 51 51 LEU CB C 13 41.634 0.049 . . . . . A 51 LEU CB . 18919 1
444 . 1 1 51 51 LEU N N 15 116.426 0.033 . . . . . A 51 LEU N . 18919 1
445 . 1 1 52 52 ARG H H 1 8.330 0.005 . . . . . A 52 ARG H . 18919 1
446 . 1 1 52 52 ARG HA H 1 3.648 0.015 . . . . . A 52 ARG HA . 18919 1
447 . 1 1 52 52 ARG HB2 H 1 1.879 0.009 . . . . . A 52 ARG HB2 . 18919 1
448 . 1 1 52 52 ARG HB3 H 1 1.879 0.009 . . . . . A 52 ARG HB3 . 18919 1
449 . 1 1 52 52 ARG HG2 H 1 1.562 0.006 . . . . . A 52 ARG HG2 . 18919 1
450 . 1 1 52 52 ARG HG3 H 1 1.562 0.006 . . . . . A 52 ARG HG3 . 18919 1
451 . 1 1 52 52 ARG HD2 H 1 3.176 0.006 . . . . . A 52 ARG HD2 . 18919 1
452 . 1 1 52 52 ARG HD3 H 1 3.176 0.006 . . . . . A 52 ARG HD3 . 18919 1
453 . 1 1 52 52 ARG CA C 13 58.951 0.051 . . . . . A 52 ARG CA . 18919 1
454 . 1 1 52 52 ARG CG C 13 24.703 0.044 . . . . . A 52 ARG CG . 18919 1
455 . 1 1 52 52 ARG CD C 13 40.431 0.082 . . . . . A 52 ARG CD . 18919 1
456 . 1 1 52 52 ARG N N 15 119.023 0.039 . . . . . A 52 ARG N . 18919 1
457 . 1 1 53 53 GLU H H 1 7.967 0.004 . . . . . A 53 GLU H . 18919 1
458 . 1 1 53 53 GLU HA H 1 3.766 0.009 . . . . . A 53 GLU HA . 18919 1
459 . 1 1 53 53 GLU HB2 H 1 1.780 0.010 . . . . . A 53 GLU HB2 . 18919 1
460 . 1 1 53 53 GLU HB3 H 1 1.662 0.009 . . . . . A 53 GLU HB3 . 18919 1
461 . 1 1 53 53 GLU HG2 H 1 2.177 0.007 . . . . . A 53 GLU HG2 . 18919 1
462 . 1 1 53 53 GLU HG3 H 1 2.044 0.004 . . . . . A 53 GLU HG3 . 18919 1
463 . 1 1 53 53 GLU CA C 13 58.008 0.051 . . . . . A 53 GLU CA . 18919 1
464 . 1 1 53 53 GLU N N 15 116.609 0.023 . . . . . A 53 GLU N . 18919 1
465 . 1 1 54 54 GLN H H 1 6.392 0.005 . . . . . A 54 GLN H . 18919 1
466 . 1 1 54 54 GLN HA H 1 3.907 0.006 . . . . . A 54 GLN HA . 18919 1
467 . 1 1 54 54 GLN HB2 H 1 1.053 0.010 . . . . . A 54 GLN HB2 . 18919 1
468 . 1 1 54 54 GLN HB3 H 1 0.570 0.007 . . . . . A 54 GLN HB3 . 18919 1
469 . 1 1 54 54 GLN HG2 H 1 1.778 0.006 . . . . . A 54 GLN HG2 . 18919 1
470 . 1 1 54 54 GLN HG3 H 1 1.531 0.011 . . . . . A 54 GLN HG3 . 18919 1
471 . 1 1 54 54 GLN HE21 H 1 7.120 0.005 . . . . . A 54 GLN HE21 . 18919 1
472 . 1 1 54 54 GLN HE22 H 1 6.186 0.006 . . . . . A 54 GLN HE22 . 18919 1
473 . 1 1 54 54 GLN CA C 13 52.558 0.072 . . . . . A 54 GLN CA . 18919 1
474 . 1 1 54 54 GLN CB C 13 28.782 0.059 . . . . . A 54 GLN CB . 18919 1
475 . 1 1 54 54 GLN CG C 13 31.884 0.048 . . . . . A 54 GLN CG . 18919 1
476 . 1 1 54 54 GLN N N 15 112.813 0.033 . . . . . A 54 GLN N . 18919 1
477 . 1 1 54 54 GLN NE2 N 15 111.929 0.025 . . . . . A 54 GLN NE2 . 18919 1
478 . 1 1 55 55 ALA H H 1 6.696 0.005 . . . . . A 55 ALA H . 18919 1
479 . 1 1 55 55 ALA HA H 1 3.508 0.011 . . . . . A 55 ALA HA . 18919 1
480 . 1 1 55 55 ALA HB1 H 1 1.195 0.006 . . . . . A 55 ALA HB1 . 18919 1
481 . 1 1 55 55 ALA HB2 H 1 1.195 0.006 . . . . . A 55 ALA HB2 . 18919 1
482 . 1 1 55 55 ALA HB3 H 1 1.195 0.006 . . . . . A 55 ALA HB3 . 18919 1
483 . 1 1 55 55 ALA CA C 13 52.896 0.020 . . . . . A 55 ALA CA . 18919 1
484 . 1 1 55 55 ALA CB C 13 20.215 0.059 . . . . . A 55 ALA CB . 18919 1
485 . 1 1 55 55 ALA N N 15 121.207 0.034 . . . . . A 55 ALA N . 18919 1
486 . 1 1 56 56 GLY H H 1 9.180 0.007 . . . . . A 56 GLY H . 18919 1
487 . 1 1 56 56 GLY HA2 H 1 3.356 0.005 . . . . . A 56 GLY HA2 . 18919 1
488 . 1 1 56 56 GLY HA3 H 1 3.668 0.008 . . . . . A 56 GLY HA3 . 18919 1
489 . 1 1 56 56 GLY CA C 13 44.771 0.091 . . . . . A 56 GLY CA . 18919 1
490 . 1 1 56 56 GLY N N 15 111.197 0.035 . . . . . A 56 GLY N . 18919 1
491 . 1 1 57 57 GLY H H 1 7.154 0.006 . . . . . A 57 GLY H . 18919 1
492 . 1 1 57 57 GLY HA2 H 1 3.321 0.009 . . . . . A 57 GLY HA2 . 18919 1
493 . 1 1 57 57 GLY HA3 H 1 3.964 0.006 . . . . . A 57 GLY HA3 . 18919 1
494 . 1 1 57 57 GLY CA C 13 43.672 0.052 . . . . . A 57 GLY CA . 18919 1
495 . 1 1 57 57 GLY N N 15 105.062 0.024 . . . . . A 57 GLY N . 18919 1
496 . 1 1 58 58 ASP H H 1 8.116 0.004 . . . . . A 58 ASP H . 18919 1
497 . 1 1 58 58 ASP HA H 1 4.498 0.009 . . . . . A 58 ASP HA . 18919 1
498 . 1 1 58 58 ASP HB2 H 1 2.469 0.005 . . . . . A 58 ASP HB2 . 18919 1
499 . 1 1 58 58 ASP HB3 H 1 2.015 0.001 . . . . . A 58 ASP HB3 . 18919 1
500 . 1 1 58 58 ASP N N 15 117.483 0.032 . . . . . A 58 ASP N . 18919 1
501 . 1 1 59 59 ALA H H 1 8.085 0.006 . . . . . A 59 ALA H . 18919 1
502 . 1 1 59 59 ALA HA H 1 4.151 0.005 . . . . . A 59 ALA HA . 18919 1
503 . 1 1 59 59 ALA HB1 H 1 -0.168 0.021 . . . . . A 59 ALA HB1 . 18919 1
504 . 1 1 59 59 ALA HB2 H 1 -0.168 0.021 . . . . . A 59 ALA HB2 . 18919 1
505 . 1 1 59 59 ALA HB3 H 1 -0.168 0.021 . . . . . A 59 ALA HB3 . 18919 1
506 . 1 1 59 59 ALA CA C 13 49.300 0.066 . . . . . A 59 ALA CA . 18919 1
507 . 1 1 59 59 ALA CB C 13 19.658 0.062 . . . . . A 59 ALA CB . 18919 1
508 . 1 1 59 59 ALA N N 15 129.054 0.045 . . . . . A 59 ALA N . 18919 1
509 . 1 1 60 60 THR H H 1 7.617 0.007 . . . . . A 60 THR H . 18919 1
510 . 1 1 60 60 THR HA H 1 2.668 0.005 . . . . . A 60 THR HA . 18919 1
511 . 1 1 60 60 THR HB H 1 3.626 0.009 . . . . . A 60 THR HB . 18919 1
512 . 1 1 60 60 THR HG21 H 1 0.219 0.006 . . . . . A 60 THR HG21 . 18919 1
513 . 1 1 60 60 THR HG22 H 1 0.219 0.006 . . . . . A 60 THR HG22 . 18919 1
514 . 1 1 60 60 THR HG23 H 1 0.219 0.006 . . . . . A 60 THR HG23 . 18919 1
515 . 1 1 60 60 THR CA C 13 68.703 0.072 . . . . . A 60 THR CA . 18919 1
516 . 1 1 60 60 THR CB C 13 68.147 0.027 . . . . . A 60 THR CB . 18919 1
517 . 1 1 60 60 THR CG2 C 13 19.638 0.071 . . . . . A 60 THR CG2 . 18919 1
518 . 1 1 60 60 THR N N 15 117.463 0.023 . . . . . A 60 THR N . 18919 1
519 . 1 1 61 61 GLU H H 1 8.343 0.005 . . . . . A 61 GLU H . 18919 1
520 . 1 1 61 61 GLU HA H 1 3.723 0.008 . . . . . A 61 GLU HA . 18919 1
521 . 1 1 61 61 GLU HB2 H 1 1.668 0.007 . . . . . A 61 GLU HB2 . 18919 1
522 . 1 1 61 61 GLU HB3 H 1 1.636 0.011 . . . . . A 61 GLU HB3 . 18919 1
523 . 1 1 61 61 GLU HG2 H 1 2.065 0.010 . . . . . A 61 GLU HG2 . 18919 1
524 . 1 1 61 61 GLU HG3 H 1 1.969 0.004 . . . . . A 61 GLU HG3 . 18919 1
525 . 1 1 61 61 GLU CA C 13 59.435 0.033 . . . . . A 61 GLU CA . 18919 1
526 . 1 1 61 61 GLU CB C 13 29.021 0.047 . . . . . A 61 GLU CB . 18919 1
527 . 1 1 61 61 GLU N N 15 119.446 0.030 . . . . . A 61 GLU N . 18919 1
528 . 1 1 62 62 ASN H H 1 7.455 0.008 . . . . . A 62 ASN H . 18919 1
529 . 1 1 62 62 ASN HA H 1 4.029 0.008 . . . . . A 62 ASN HA . 18919 1
530 . 1 1 62 62 ASN HB2 H 1 1.862 0.004 . . . . . A 62 ASN HB2 . 18919 1
531 . 1 1 62 62 ASN HB3 H 1 1.410 0.006 . . . . . A 62 ASN HB3 . 18919 1
532 . 1 1 62 62 ASN HD21 H 1 6.501 0.005 . . . . . A 62 ASN HD21 . 18919 1
533 . 1 1 62 62 ASN HD22 H 1 7.221 0.006 . . . . . A 62 ASN HD22 . 18919 1
534 . 1 1 62 62 ASN CA C 13 55.458 0.032 . . . . . A 62 ASN CA . 18919 1
535 . 1 1 62 62 ASN CB C 13 37.658 0.054 . . . . . A 62 ASN CB . 18919 1
536 . 1 1 62 62 ASN N N 15 116.305 0.033 . . . . . A 62 ASN N . 18919 1
537 . 1 1 62 62 ASN ND2 N 15 112.113 0.040 . . . . . A 62 ASN ND2 . 18919 1
538 . 1 1 63 63 PHE H H 1 7.743 0.006 . . . . . A 63 PHE H . 18919 1
539 . 1 1 63 63 PHE HA H 1 2.940 0.008 . . . . . A 63 PHE HA . 18919 1
540 . 1 1 63 63 PHE HB2 H 1 2.614 0.006 . . . . . A 63 PHE HB2 . 18919 1
541 . 1 1 63 63 PHE HB3 H 1 0.555 0.011 . . . . . A 63 PHE HB3 . 18919 1
542 . 1 1 63 63 PHE N N 15 118.171 0.040 . . . . . A 63 PHE N . 18919 1
543 . 1 1 64 64 GLU H H 1 8.647 0.006 . . . . . A 64 GLU H . 18919 1
544 . 1 1 64 64 GLU HA H 1 5.253 0.008 . . . . . A 64 GLU HA . 18919 1
545 . 1 1 64 64 GLU HB2 H 1 2.588 0.007 . . . . . A 64 GLU HB2 . 18919 1
546 . 1 1 64 64 GLU HB3 H 1 2.236 0.005 . . . . . A 64 GLU HB3 . 18919 1
547 . 1 1 64 64 GLU HG2 H 1 2.941 0.008 . . . . . A 64 GLU HG2 . 18919 1
548 . 1 1 64 64 GLU HG3 H 1 2.832 0.008 . . . . . A 64 GLU HG3 . 18919 1
549 . 1 1 64 64 GLU CA C 13 58.725 0.058 . . . . . A 64 GLU CA . 18919 1
550 . 1 1 64 64 GLU CB C 13 29.580 0.065 . . . . . A 64 GLU CB . 18919 1
551 . 1 1 64 64 GLU CG C 13 32.608 0.044 . . . . . A 64 GLU CG . 18919 1
552 . 1 1 64 64 GLU N N 15 120.190 0.018 . . . . . A 64 GLU N . 18919 1
553 . 1 1 65 65 ASP H H 1 8.685 0.005 . . . . . A 65 ASP H . 18919 1
554 . 1 1 65 65 ASP HA H 1 4.651 0.010 . . . . . A 65 ASP HA . 18919 1
555 . 1 1 65 65 ASP HB2 H 1 2.793 0.003 . . . . . A 65 ASP HB2 . 18919 1
556 . 1 1 65 65 ASP HB3 H 1 2.653 0.006 . . . . . A 65 ASP HB3 . 18919 1
557 . 1 1 65 65 ASP CA C 13 57.056 0.017 . . . . . A 65 ASP CA . 18919 1
558 . 1 1 65 65 ASP N N 15 121.685 0.041 . . . . . A 65 ASP N . 18919 1
559 . 1 1 66 66 VAL H H 1 7.963 0.005 . . . . . A 66 VAL H . 18919 1
560 . 1 1 66 66 VAL HA H 1 4.240 0.007 . . . . . A 66 VAL HA . 18919 1
561 . 1 1 66 66 VAL HB H 1 1.396 0.000 . . . . . A 66 VAL HB . 18919 1
562 . 1 1 66 66 VAL CA C 13 65.144 0.071 . . . . . A 66 VAL CA . 18919 1
563 . 1 1 66 66 VAL N N 15 116.169 0.049 . . . . . A 66 VAL N . 18919 1
564 . 1 1 67 67 GLY H H 1 8.895 0.003 . . . . . A 67 GLY H . 18919 1
565 . 1 1 67 67 GLY HA2 H 1 4.762 0.005 . . . . . A 67 GLY HA2 . 18919 1
566 . 1 1 67 67 GLY HA3 H 1 5.048 0.005 . . . . . A 67 GLY HA3 . 18919 1
567 . 1 1 67 67 GLY CA C 13 47.628 0.035 . . . . . A 67 GLY CA . 18919 1
568 . 1 1 67 67 GLY N N 15 109.219 0.035 . . . . . A 67 GLY N . 18919 1
569 . 1 1 68 68 HIS H H 1 11.404 0.024 . . . . . A 68 HIS H . 18919 1
570 . 1 1 69 69 SER H H 1 11.649 0.005 . . . . . A 69 SER H . 18919 1
571 . 1 1 69 69 SER HA H 1 4.808 0.011 . . . . . A 69 SER HA . 18919 1
572 . 1 1 69 69 SER HB2 H 1 4.039 0.006 . . . . . A 69 SER HB2 . 18919 1
573 . 1 1 69 69 SER HB3 H 1 4.341 0.006 . . . . . A 69 SER HB3 . 18919 1
574 . 1 1 69 69 SER CA C 13 58.836 0.044 . . . . . A 69 SER CA . 18919 1
575 . 1 1 69 69 SER CB C 13 65.173 0.053 . . . . . A 69 SER CB . 18919 1
576 . 1 1 69 69 SER N N 15 126.060 0.000 . . . . . A 69 SER N . 18919 1
577 . 1 1 70 70 THR H H 1 9.202 0.003 . . . . . A 70 THR H . 18919 1
578 . 1 1 70 70 THR HA H 1 4.301 0.014 . . . . . A 70 THR HA . 18919 1
579 . 1 1 70 70 THR HB H 1 4.282 0.007 . . . . . A 70 THR HB . 18919 1
580 . 1 1 70 70 THR HG21 H 1 1.401 0.008 . . . . . A 70 THR HG21 . 18919 1
581 . 1 1 70 70 THR HG22 H 1 1.401 0.008 . . . . . A 70 THR HG22 . 18919 1
582 . 1 1 70 70 THR HG23 H 1 1.401 0.008 . . . . . A 70 THR HG23 . 18919 1
583 . 1 1 70 70 THR CA C 13 66.637 0.041 . . . . . A 70 THR CA . 18919 1
584 . 1 1 70 70 THR CB C 13 68.471 0.039 . . . . . A 70 THR CB . 18919 1
585 . 1 1 70 70 THR CG2 C 13 19.786 0.061 . . . . . A 70 THR CG2 . 18919 1
586 . 1 1 70 70 THR N N 15 116.948 0.041 . . . . . A 70 THR N . 18919 1
587 . 1 1 71 71 ASP H H 1 8.192 0.009 . . . . . A 71 ASP H . 18919 1
588 . 1 1 71 71 ASP HA H 1 4.290 0.007 . . . . . A 71 ASP HA . 18919 1
589 . 1 1 71 71 ASP HB2 H 1 2.394 0.005 . . . . . A 71 ASP HB2 . 18919 1
590 . 1 1 71 71 ASP HB3 H 1 2.290 0.008 . . . . . A 71 ASP HB3 . 18919 1
591 . 1 1 71 71 ASP N N 15 121.902 0.030 . . . . . A 71 ASP N . 18919 1
592 . 1 1 72 72 ALA H H 1 8.718 0.006 . . . . . A 72 ALA H . 18919 1
593 . 1 1 72 72 ALA HA H 1 3.902 0.002 . . . . . A 72 ALA HA . 18919 1
594 . 1 1 72 72 ALA HB1 H 1 2.337 0.007 . . . . . A 72 ALA HB1 . 18919 1
595 . 1 1 72 72 ALA HB2 H 1 2.337 0.007 . . . . . A 72 ALA HB2 . 18919 1
596 . 1 1 72 72 ALA HB3 H 1 2.337 0.007 . . . . . A 72 ALA HB3 . 18919 1
597 . 1 1 72 72 ALA N N 15 124.910 0.047 . . . . . A 72 ALA N . 18919 1
598 . 1 1 73 73 ARG H H 1 9.195 0.004 . . . . . A 73 ARG H . 18919 1
599 . 1 1 73 73 ARG HA H 1 4.522 0.010 . . . . . A 73 ARG HA . 18919 1
600 . 1 1 73 73 ARG HB2 H 1 2.754 0.007 . . . . . A 73 ARG HB2 . 18919 1
601 . 1 1 73 73 ARG HB3 H 1 2.530 0.005 . . . . . A 73 ARG HB3 . 18919 1
602 . 1 1 73 73 ARG HG2 H 1 2.458 0.007 . . . . . A 73 ARG HG2 . 18919 1
603 . 1 1 73 73 ARG HG3 H 1 2.458 0.007 . . . . . A 73 ARG HG3 . 18919 1
604 . 1 1 73 73 ARG HD2 H 1 3.049 0.004 . . . . . A 73 ARG HD2 . 18919 1
605 . 1 1 73 73 ARG HD3 H 1 3.049 0.004 . . . . . A 73 ARG HD3 . 18919 1
606 . 1 1 73 73 ARG CA C 13 60.342 0.029 . . . . . A 73 ARG CA . 18919 1
607 . 1 1 73 73 ARG N N 15 119.548 0.040 . . . . . A 73 ARG N . 18919 1
608 . 1 1 74 74 GLU H H 1 8.900 0.004 . . . . . A 74 GLU H . 18919 1
609 . 1 1 74 74 GLU HA H 1 4.062 0.004 . . . . . A 74 GLU HA . 18919 1
610 . 1 1 74 74 GLU HB2 H 1 2.103 0.007 . . . . . A 74 GLU HB2 . 18919 1
611 . 1 1 74 74 GLU HB3 H 1 2.002 0.003 . . . . . A 74 GLU HB3 . 18919 1
612 . 1 1 74 74 GLU HG2 H 1 2.371 0.006 . . . . . A 74 GLU HG2 . 18919 1
613 . 1 1 74 74 GLU HG3 H 1 2.254 0.004 . . . . . A 74 GLU HG3 . 18919 1
614 . 1 1 74 74 GLU CA C 13 59.203 0.045 . . . . . A 74 GLU CA . 18919 1
615 . 1 1 74 74 GLU CB C 13 29.218 0.022 . . . . . A 74 GLU CB . 18919 1
616 . 1 1 74 74 GLU CG C 13 32.691 0.102 . . . . . A 74 GLU CG . 18919 1
617 . 1 1 74 74 GLU N N 15 123.515 0.026 . . . . . A 74 GLU N . 18919 1
618 . 1 1 75 75 LEU H H 1 8.162 0.006 . . . . . A 75 LEU H . 18919 1
619 . 1 1 75 75 LEU HA H 1 4.002 0.006 . . . . . A 75 LEU HA . 18919 1
620 . 1 1 75 75 LEU HB2 H 1 1.831 0.010 . . . . . A 75 LEU HB2 . 18919 1
621 . 1 1 75 75 LEU HB3 H 1 1.503 0.012 . . . . . A 75 LEU HB3 . 18919 1
622 . 1 1 75 75 LEU HG H 1 1.159 0.002 . . . . . A 75 LEU HG . 18919 1
623 . 1 1 75 75 LEU HD11 H 1 1.167 0.000 . . . . . A 75 LEU HD11 . 18919 1
624 . 1 1 75 75 LEU HD12 H 1 1.167 0.000 . . . . . A 75 LEU HD12 . 18919 1
625 . 1 1 75 75 LEU HD13 H 1 1.167 0.000 . . . . . A 75 LEU HD13 . 18919 1
626 . 1 1 75 75 LEU CA C 13 57.114 0.050 . . . . . A 75 LEU CA . 18919 1
627 . 1 1 75 75 LEU CB C 13 41.362 0.026 . . . . . A 75 LEU CB . 18919 1
628 . 1 1 75 75 LEU CG C 13 24.420 0.013 . . . . . A 75 LEU CG . 18919 1
629 . 1 1 75 75 LEU N N 15 122.445 0.048 . . . . . A 75 LEU N . 18919 1
630 . 1 1 76 76 SER H H 1 8.326 0.005 . . . . . A 76 SER H . 18919 1
631 . 1 1 76 76 SER HA H 1 3.662 0.010 . . . . . A 76 SER HA . 18919 1
632 . 1 1 76 76 SER HB2 H 1 3.273 0.004 . . . . . A 76 SER HB2 . 18919 1
633 . 1 1 76 76 SER HB3 H 1 3.273 0.004 . . . . . A 76 SER HB3 . 18919 1
634 . 1 1 76 76 SER CA C 13 61.736 0.070 . . . . . A 76 SER CA . 18919 1
635 . 1 1 76 76 SER N N 15 114.992 0.035 . . . . . A 76 SER N . 18919 1
636 . 1 1 77 77 LYS H H 1 7.012 0.006 . . . . . A 77 LYS H . 18919 1
637 . 1 1 77 77 LYS HA H 1 3.845 0.007 . . . . . A 77 LYS HA . 18919 1
638 . 1 1 77 77 LYS HB2 H 1 1.737 0.006 . . . . . A 77 LYS HB2 . 18919 1
639 . 1 1 77 77 LYS HB3 H 1 1.586 0.004 . . . . . A 77 LYS HB3 . 18919 1
640 . 1 1 77 77 LYS HG2 H 1 1.354 0.003 . . . . . A 77 LYS HG2 . 18919 1
641 . 1 1 77 77 LYS HG3 H 1 1.354 0.003 . . . . . A 77 LYS HG3 . 18919 1
642 . 1 1 77 77 LYS CA C 13 58.325 0.055 . . . . . A 77 LYS CA . 18919 1
643 . 1 1 77 77 LYS N N 15 120.259 0.022 . . . . . A 77 LYS N . 18919 1
644 . 1 1 78 78 THR H H 1 7.457 0.004 . . . . . A 78 THR H . 18919 1
645 . 1 1 78 78 THR HA H 1 3.738 0.004 . . . . . A 78 THR HA . 18919 1
646 . 1 1 78 78 THR HB H 1 3.524 0.007 . . . . . A 78 THR HB . 18919 1
647 . 1 1 78 78 THR HG21 H 1 0.825 0.011 . . . . . A 78 THR HG21 . 18919 1
648 . 1 1 78 78 THR HG22 H 1 0.825 0.011 . . . . . A 78 THR HG22 . 18919 1
649 . 1 1 78 78 THR HG23 H 1 0.825 0.011 . . . . . A 78 THR HG23 . 18919 1
650 . 1 1 78 78 THR CA C 13 63.464 0.015 . . . . . A 78 THR CA . 18919 1
651 . 1 1 78 78 THR CB C 13 69.046 0.059 . . . . . A 78 THR CB . 18919 1
652 . 1 1 78 78 THR CG2 C 13 17.942 0.053 . . . . . A 78 THR CG2 . 18919 1
653 . 1 1 78 78 THR N N 15 109.868 0.017 . . . . . A 78 THR N . 18919 1
654 . 1 1 79 79 PHE H H 1 7.115 0.006 . . . . . A 79 PHE H . 18919 1
655 . 1 1 79 79 PHE HA H 1 3.382 0.006 . . . . . A 79 PHE HA . 18919 1
656 . 1 1 79 79 PHE HB2 H 1 2.293 0.006 . . . . . A 79 PHE HB2 . 18919 1
657 . 1 1 79 79 PHE HB3 H 1 2.293 0.006 . . . . . A 79 PHE HB3 . 18919 1
658 . 1 1 79 79 PHE HD1 H 1 6.550 0.005 . . . . . A 79 PHE HD1 . 18919 1
659 . 1 1 79 79 PHE HD2 H 1 6.550 0.005 . . . . . A 79 PHE HD2 . 18919 1
660 . 1 1 79 79 PHE HE1 H 1 6.929 0.002 . . . . . A 79 PHE HE1 . 18919 1
661 . 1 1 79 79 PHE HE2 H 1 6.929 0.002 . . . . . A 79 PHE HE2 . 18919 1
662 . 1 1 79 79 PHE HZ H 1 6.807 0.006 . . . . . A 79 PHE HZ . 18919 1
663 . 1 1 79 79 PHE CA C 13 56.746 0.032 . . . . . A 79 PHE CA . 18919 1
664 . 1 1 79 79 PHE CB C 13 39.998 0.061 . . . . . A 79 PHE CB . 18919 1
665 . 1 1 79 79 PHE N N 15 118.163 0.031 . . . . . A 79 PHE N . 18919 1
666 . 1 1 80 80 ILE H H 1 6.598 0.009 . . . . . A 80 ILE H . 18919 1
667 . 1 1 80 80 ILE HA H 1 3.221 0.009 . . . . . A 80 ILE HA . 18919 1
668 . 1 1 80 80 ILE HB H 1 1.205 0.007 . . . . . A 80 ILE HB . 18919 1
669 . 1 1 80 80 ILE HG12 H 1 -0.526 0.011 . . . . . A 80 ILE HG12 . 18919 1
670 . 1 1 80 80 ILE HG13 H 1 -0.526 0.011 . . . . . A 80 ILE HG13 . 18919 1
671 . 1 1 80 80 ILE HG21 H 1 0.609 0.012 . . . . . A 80 ILE HG21 . 18919 1
672 . 1 1 80 80 ILE HG22 H 1 1.104 0.004 . . . . . A 80 ILE HG22 . 18919 1
673 . 1 1 80 80 ILE HG23 H 1 0.514 0.003 . . . . . A 80 ILE HG23 . 18919 1
674 . 1 1 80 80 ILE HD11 H 1 0.552 0.008 . . . . . A 80 ILE HD11 . 18919 1
675 . 1 1 80 80 ILE HD12 H 1 0.552 0.008 . . . . . A 80 ILE HD12 . 18919 1
676 . 1 1 80 80 ILE HD13 H 1 0.552 0.008 . . . . . A 80 ILE HD13 . 18919 1
677 . 1 1 80 80 ILE CA C 13 62.573 0.073 . . . . . A 80 ILE CA . 18919 1
678 . 1 1 80 80 ILE CB C 13 38.526 0.064 . . . . . A 80 ILE CB . 18919 1
679 . 1 1 80 80 ILE CG1 C 13 29.531 5.929 . . . . . A 80 ILE CG1 . 18919 1
680 . 1 1 80 80 ILE CG2 C 13 21.642 0.023 . . . . . A 80 ILE CG2 . 18919 1
681 . 1 1 80 80 ILE N N 15 120.554 0.055 . . . . . A 80 ILE N . 18919 1
682 . 1 1 81 81 ILE H H 1 8.412 0.007 . . . . . A 81 ILE H . 18919 1
683 . 1 1 81 81 ILE HA H 1 4.338 0.006 . . . . . A 81 ILE HA . 18919 1
684 . 1 1 81 81 ILE HB H 1 1.552 0.007 . . . . . A 81 ILE HB . 18919 1
685 . 1 1 81 81 ILE HG21 H 1 0.142 0.265 . . . . . A 81 ILE HG21 . 18919 1
686 . 1 1 81 81 ILE HG22 H 1 0.483 0.012 . . . . . A 81 ILE HG22 . 18919 1
687 . 1 1 81 81 ILE HG23 H 1 -0.316 0.008 . . . . . A 81 ILE HG23 . 18919 1
688 . 1 1 81 81 ILE HD11 H 1 -1.384 0.007 . . . . . A 81 ILE HD11 . 18919 1
689 . 1 1 81 81 ILE HD12 H 1 -1.384 0.007 . . . . . A 81 ILE HD12 . 18919 1
690 . 1 1 81 81 ILE HD13 H 1 -1.384 0.007 . . . . . A 81 ILE HD13 . 18919 1
691 . 1 1 81 81 ILE CA C 13 60.215 0.051 . . . . . A 81 ILE CA . 18919 1
692 . 1 1 81 81 ILE CB C 13 39.336 0.043 . . . . . A 81 ILE CB . 18919 1
693 . 1 1 81 81 ILE CG1 C 13 22.688 0.000 . . . . . A 81 ILE CG1 . 18919 1
694 . 1 1 81 81 ILE CG2 C 13 15.562 0.089 . . . . . A 81 ILE CG2 . 18919 1
695 . 1 1 81 81 ILE CD1 C 13 9.050 0.044 . . . . . A 81 ILE CD1 . 18919 1
696 . 1 1 81 81 ILE N N 15 119.736 0.032 . . . . . A 81 ILE N . 18919 1
697 . 1 1 82 82 GLY H H 1 7.134 0.005 . . . . . A 82 GLY H . 18919 1
698 . 1 1 82 82 GLY HA2 H 1 4.141 0.007 . . . . . A 82 GLY HA2 . 18919 1
699 . 1 1 82 82 GLY HA3 H 1 3.850 0.005 . . . . . A 82 GLY HA3 . 18919 1
700 . 1 1 82 82 GLY CA C 13 45.133 0.039 . . . . . A 82 GLY CA . 18919 1
701 . 1 1 82 82 GLY N N 15 110.926 0.044 . . . . . A 82 GLY N . 18919 1
702 . 1 1 83 83 GLU H H 1 8.822 0.006 . . . . . A 83 GLU H . 18919 1
703 . 1 1 83 83 GLU HA H 1 4.885 0.006 . . . . . A 83 GLU HA . 18919 1
704 . 1 1 83 83 GLU HB2 H 1 1.959 0.005 . . . . . A 83 GLU HB2 . 18919 1
705 . 1 1 83 83 GLU HB3 H 1 1.485 0.006 . . . . . A 83 GLU HB3 . 18919 1
706 . 1 1 83 83 GLU HG2 H 1 1.949 0.009 . . . . . A 83 GLU HG2 . 18919 1
707 . 1 1 83 83 GLU HG3 H 1 1.949 0.009 . . . . . A 83 GLU HG3 . 18919 1
708 . 1 1 83 83 GLU CA C 13 54.118 0.053 . . . . . A 83 GLU CA . 18919 1
709 . 1 1 83 83 GLU CB C 13 34.459 0.012 . . . . . A 83 GLU CB . 18919 1
710 . 1 1 83 83 GLU N N 15 118.478 0.027 . . . . . A 83 GLU N . 18919 1
711 . 1 1 84 84 LEU H H 1 8.553 0.007 . . . . . A 84 LEU H . 18919 1
712 . 1 1 84 84 LEU HA H 1 4.360 0.002 . . . . . A 84 LEU HA . 18919 1
713 . 1 1 84 84 LEU HB2 H 1 2.024 0.008 . . . . . A 84 LEU HB2 . 18919 1
714 . 1 1 84 84 LEU HB3 H 1 0.754 0.003 . . . . . A 84 LEU HB3 . 18919 1
715 . 1 1 84 84 LEU CB C 13 43.262 0.014 . . . . . A 84 LEU CB . 18919 1
716 . 1 1 84 84 LEU N N 15 123.165 0.049 . . . . . A 84 LEU N . 18919 1
717 . 1 1 85 85 HIS H H 1 8.850 0.005 . . . . . A 85 HIS H . 18919 1
718 . 1 1 85 85 HIS HA H 1 3.547 0.009 . . . . . A 85 HIS HA . 18919 1
719 . 1 1 85 85 HIS HB2 H 1 2.635 0.017 . . . . . A 85 HIS HB2 . 18919 1
720 . 1 1 85 85 HIS HB3 H 1 2.362 0.004 . . . . . A 85 HIS HB3 . 18919 1
721 . 1 1 85 85 HIS HD2 H 1 6.779 0.004 . . . . . A 85 HIS HD2 . 18919 1
722 . 1 1 85 85 HIS HE1 H 1 7.320 0.000 . . . . . A 85 HIS HE1 . 18919 1
723 . 1 1 85 85 HIS CA C 13 56.379 0.080 . . . . . A 85 HIS CA . 18919 1
724 . 1 1 85 85 HIS N N 15 130.883 0.016 . . . . . A 85 HIS N . 18919 1
725 . 1 1 86 86 PRO HA H 1 3.478 0.009 . . . . . A 86 PRO HA . 18919 1
726 . 1 1 86 86 PRO HG2 H 1 1.165 0.007 . . . . . A 86 PRO HG2 . 18919 1
727 . 1 1 86 86 PRO HD2 H 1 2.010 0.019 . . . . . A 86 PRO HD2 . 18919 1
728 . 1 1 86 86 PRO HD3 H 1 1.342 0.075 . . . . . A 86 PRO HD3 . 18919 1
729 . 1 1 86 86 PRO CA C 13 65.353 0.051 . . . . . A 86 PRO CA . 18919 1
730 . 1 1 86 86 PRO CG C 13 22.693 0.044 . . . . . A 86 PRO CG . 18919 1
731 . 1 1 86 86 PRO CD C 13 49.551 0.030 . . . . . A 86 PRO CD . 18919 1
732 . 1 1 87 87 ASP H H 1 10.889 0.007 . . . . . A 87 ASP H . 18919 1
733 . 1 1 87 87 ASP HA H 1 4.246 0.007 . . . . . A 87 ASP HA . 18919 1
734 . 1 1 87 87 ASP HB2 H 1 2.478 0.001 . . . . . A 87 ASP HB2 . 18919 1
735 . 1 1 87 87 ASP HB3 H 1 2.439 0.000 . . . . . A 87 ASP HB3 . 18919 1
736 . 1 1 87 87 ASP CA C 13 56.389 0.039 . . . . . A 87 ASP CA . 18919 1
737 . 1 1 87 87 ASP N N 15 121.230 0.049 . . . . . A 87 ASP N . 18919 1
738 . 1 1 88 88 ASP H H 1 7.946 0.005 . . . . . A 88 ASP H . 18919 1
739 . 1 1 88 88 ASP HA H 1 4.364 0.003 . . . . . A 88 ASP HA . 18919 1
740 . 1 1 88 88 ASP HB2 H 1 2.701 0.003 . . . . . A 88 ASP HB2 . 18919 1
741 . 1 1 88 88 ASP HB3 H 1 2.449 0.006 . . . . . A 88 ASP HB3 . 18919 1
742 . 1 1 88 88 ASP N N 15 117.642 0.025 . . . . . A 88 ASP N . 18919 1
743 . 1 1 89 89 ARG H H 1 7.080 0.005 . . . . . A 89 ARG H . 18919 1
744 . 1 1 89 89 ARG HA H 1 3.692 0.004 . . . . . A 89 ARG HA . 18919 1
745 . 1 1 89 89 ARG HB2 H 1 0.857 0.000 . . . . . A 89 ARG HB2 . 18919 1
746 . 1 1 89 89 ARG HB3 H 1 1.500 0.003 . . . . . A 89 ARG HB3 . 18919 1
747 . 1 1 89 89 ARG HG2 H 1 0.672 0.003 . . . . . A 89 ARG HG2 . 18919 1
748 . 1 1 89 89 ARG HG3 H 1 0.672 0.003 . . . . . A 89 ARG HG3 . 18919 1
749 . 1 1 89 89 ARG CA C 13 59.103 0.079 . . . . . A 89 ARG CA . 18919 1
750 . 1 1 89 89 ARG CG C 13 24.715 0.051 . . . . . A 89 ARG CG . 18919 1
751 . 1 1 89 89 ARG N N 15 119.774 0.044 . . . . . A 89 ARG N . 18919 1
752 . 1 1 90 90 SER HA H 1 4.666 0.014 . . . . . A 90 SER HA . 18919 1
753 . 1 1 90 90 SER HB2 H 1 3.683 0.000 . . . . . A 90 SER HB2 . 18919 1
754 . 1 1 90 90 SER HB3 H 1 3.683 0.000 . . . . . A 90 SER HB3 . 18919 1
755 . 1 1 91 91 LYS H H 1 7.527 0.000 . . . . . A 91 LYS H . 18919 1
756 . 1 1 91 91 LYS HA H 1 4.074 0.000 . . . . . A 91 LYS HA . 18919 1
757 . 1 1 91 91 LYS HE2 H 1 2.854 0.000 . . . . . A 91 LYS HE2 . 18919 1
758 . 1 1 91 91 LYS HE3 H 1 2.854 0.000 . . . . . A 91 LYS HE3 . 18919 1
759 . 1 1 92 92 LEU H H 1 7.385 0.007 . . . . . A 92 LEU H . 18919 1
760 . 1 1 92 92 LEU HA H 1 4.187 0.010 . . . . . A 92 LEU HA . 18919 1
761 . 1 1 92 92 LEU HB2 H 1 1.466 0.001 . . . . . A 92 LEU HB2 . 18919 1
762 . 1 1 92 92 LEU HB3 H 1 1.507 0.000 . . . . . A 92 LEU HB3 . 18919 1
763 . 1 1 92 92 LEU HD11 H 1 0.657 0.001 . . . . . A 92 LEU HD11 . 18919 1
764 . 1 1 92 92 LEU HD12 H 1 0.657 0.001 . . . . . A 92 LEU HD12 . 18919 1
765 . 1 1 92 92 LEU HD13 H 1 0.657 0.001 . . . . . A 92 LEU HD13 . 18919 1
766 . 1 1 92 92 LEU HD21 H 1 0.722 0.010 . . . . . A 92 LEU HD21 . 18919 1
767 . 1 1 92 92 LEU HD22 H 1 0.722 0.010 . . . . . A 92 LEU HD22 . 18919 1
768 . 1 1 92 92 LEU HD23 H 1 0.722 0.010 . . . . . A 92 LEU HD23 . 18919 1
769 . 1 1 92 92 LEU N N 15 119.376 0.015 . . . . . A 92 LEU N . 18919 1
770 . 1 1 93 93 SER H H 1 7.759 0.003 . . . . . A 93 SER H . 18919 1
771 . 1 1 93 93 SER HA H 1 4.238 0.000 . . . . . A 93 SER HA . 18919 1
772 . 1 1 93 93 SER HB2 H 1 3.673 0.000 . . . . . A 93 SER HB2 . 18919 1
773 . 1 1 93 93 SER HB3 H 1 3.673 0.000 . . . . . A 93 SER HB3 . 18919 1
774 . 1 1 93 93 SER N N 15 115.743 0.043 . . . . . A 93 SER N . 18919 1
775 . 1 1 94 94 LYS H H 1 8.186 0.000 . . . . . A 94 LYS H . 18919 1
776 . 1 1 94 94 LYS HB2 H 1 1.533 0.002 . . . . . A 94 LYS HB2 . 18919 1
777 . 1 1 94 94 LYS HD2 H 1 1.266 0.000 . . . . . A 94 LYS HD2 . 18919 1
778 . 1 1 94 94 LYS HD3 H 1 1.266 0.000 . . . . . A 94 LYS HD3 . 18919 1
779 . 1 1 95 95 PRO HA H 1 4.254 0.086 . . . . . A 95 PRO HA . 18919 1
780 . 1 1 95 95 PRO HB2 H 1 1.806 0.001 . . . . . A 95 PRO HB2 . 18919 1
781 . 1 1 95 95 PRO HB3 H 1 2.111 0.001 . . . . . A 95 PRO HB3 . 18919 1
782 . 1 1 95 95 PRO HG2 H 1 1.703 0.009 . . . . . A 95 PRO HG2 . 18919 1
783 . 1 1 95 95 PRO HG3 H 1 1.703 0.009 . . . . . A 95 PRO HG3 . 18919 1
784 . 1 1 95 95 PRO HD2 H 1 3.455 0.005 . . . . . A 95 PRO HD2 . 18919 1
785 . 1 1 95 95 PRO HD3 H 1 3.616 0.007 . . . . . A 95 PRO HD3 . 18919 1
786 . 1 1 95 95 PRO CA C 13 62.899 0.088 . . . . . A 95 PRO CA . 18919 1
787 . 1 1 95 95 PRO CD C 13 47.535 0.059 . . . . . A 95 PRO CD . 18919 1
788 . 1 1 96 96 MET H H 1 8.335 0.002 . . . . . A 96 MET H . 18919 1
789 . 1 1 96 96 MET HA H 1 4.212 0.007 . . . . . A 96 MET HA . 18919 1
790 . 1 1 96 96 MET HB2 H 1 2.105 0.004 . . . . . A 96 MET HB2 . 18919 1
791 . 1 1 96 96 MET HB3 H 1 1.880 0.008 . . . . . A 96 MET HB3 . 18919 1
792 . 1 1 96 96 MET HG2 H 1 2.411 0.006 . . . . . A 96 MET HG2 . 18919 1
793 . 1 1 96 96 MET HG3 H 1 2.411 0.006 . . . . . A 96 MET HG3 . 18919 1
794 . 1 1 96 96 MET CB C 13 32.140 0.312 . . . . . A 96 MET CB . 18919 1
795 . 1 1 96 96 MET N N 15 120.778 0.047 . . . . . A 96 MET N . 18919 1
796 . 1 1 97 97 GLU H H 1 8.325 0.054 . . . . . A 97 GLU H . 18919 1
797 . 1 1 97 97 GLU HA H 1 4.191 0.000 . . . . . A 97 GLU HA . 18919 1
798 . 1 1 97 97 GLU HB2 H 1 1.877 0.000 . . . . . A 97 GLU HB2 . 18919 1
799 . 1 1 97 97 GLU HB3 H 1 1.784 0.004 . . . . . A 97 GLU HB3 . 18919 1
800 . 1 1 97 97 GLU HG2 H 1 2.072 0.019 . . . . . A 97 GLU HG2 . 18919 1
801 . 1 1 97 97 GLU HG3 H 1 2.072 0.019 . . . . . A 97 GLU HG3 . 18919 1
802 . 1 1 97 97 GLU N N 15 122.485 0.032 . . . . . A 97 GLU N . 18919 1
803 . 1 1 98 98 THR H H 1 8.076 0.003 . . . . . A 98 THR H . 18919 1
804 . 1 1 98 98 THR HA H 1 4.179 0.005 . . . . . A 98 THR HA . 18919 1
805 . 1 1 98 98 THR HB H 1 4.023 0.056 . . . . . A 98 THR HB . 18919 1
806 . 1 1 98 98 THR HG21 H 1 1.017 0.002 . . . . . A 98 THR HG21 . 18919 1
807 . 1 1 98 98 THR HG22 H 1 1.017 0.002 . . . . . A 98 THR HG22 . 18919 1
808 . 1 1 98 98 THR HG23 H 1 1.017 0.002 . . . . . A 98 THR HG23 . 18919 1
809 . 1 1 98 98 THR N N 15 116.270 0.029 . . . . . A 98 THR N . 18919 1
810 . 1 1 99 99 LEU H H 1 8.150 0.005 . . . . . A 99 LEU H . 18919 1
811 . 1 1 99 99 LEU HA H 1 4.087 0.000 . . . . . A 99 LEU HA . 18919 1
812 . 1 1 99 99 LEU HG H 1 1.431 0.008 . . . . . A 99 LEU HG . 18919 1
813 . 1 1 99 99 LEU HD11 H 1 0.721 0.003 . . . . . A 99 LEU HD11 . 18919 1
814 . 1 1 99 99 LEU HD12 H 1 0.721 0.003 . . . . . A 99 LEU HD12 . 18919 1
815 . 1 1 99 99 LEU HD13 H 1 0.721 0.003 . . . . . A 99 LEU HD13 . 18919 1
816 . 1 1 99 99 LEU N N 15 125.629 0.042 . . . . . A 99 LEU N . 18919 1
817 . 1 1 100 100 ILE H H 1 8.113 0.000 . . . . . A 100 ILE H . 18919 1
818 . 1 1 101 101 THR H H 1 8.114 0.000 . . . . . A 101 THR H . 18919 1
819 . 1 1 101 101 THR HA H 1 4.043 0.004 . . . . . A 101 THR HA . 18919 1
820 . 1 1 101 101 THR HG21 H 1 1.017 0.000 . . . . . A 101 THR HG21 . 18919 1
821 . 1 1 101 101 THR HG22 H 1 1.017 0.000 . . . . . A 101 THR HG22 . 18919 1
822 . 1 1 101 101 THR HG23 H 1 1.017 0.000 . . . . . A 101 THR HG23 . 18919 1
823 . 1 1 101 101 THR N N 15 118.648 0.010 . . . . . A 101 THR N . 18919 1
824 . 1 1 102 102 THR H H 1 8.021 0.006 . . . . . A 102 THR H . 18919 1
825 . 1 1 102 102 THR HA H 1 4.242 0.001 . . . . . A 102 THR HA . 18919 1
826 . 1 1 102 102 THR HB H 1 4.033 0.008 . . . . . A 102 THR HB . 18919 1
827 . 1 1 102 102 THR HG21 H 1 1.020 0.004 . . . . . A 102 THR HG21 . 18919 1
828 . 1 1 102 102 THR HG22 H 1 1.020 0.004 . . . . . A 102 THR HG22 . 18919 1
829 . 1 1 102 102 THR HG23 H 1 1.020 0.004 . . . . . A 102 THR HG23 . 18919 1
830 . 1 1 102 102 THR CB C 13 69.733 0.026 . . . . . A 102 THR CB . 18919 1
831 . 1 1 102 102 THR N N 15 117.268 0.026 . . . . . A 102 THR N . 18919 1
832 . 1 1 103 103 VAL H H 1 8.032 0.007 . . . . . A 103 VAL H . 18919 1
833 . 1 1 103 103 VAL HA H 1 3.935 0.006 . . . . . A 103 VAL HA . 18919 1
834 . 1 1 103 103 VAL HB H 1 1.894 0.005 . . . . . A 103 VAL HB . 18919 1
835 . 1 1 103 103 VAL HG11 H 1 0.731 0.005 . . . . . A 103 VAL HG11 . 18919 1
836 . 1 1 103 103 VAL HG12 H 1 0.731 0.005 . . . . . A 103 VAL HG12 . 18919 1
837 . 1 1 103 103 VAL HG13 H 1 0.731 0.005 . . . . . A 103 VAL HG13 . 18919 1
838 . 1 1 103 103 VAL HG21 H 1 0.731 0.005 . . . . . A 103 VAL HG21 . 18919 1
839 . 1 1 103 103 VAL HG22 H 1 0.731 0.005 . . . . . A 103 VAL HG22 . 18919 1
840 . 1 1 103 103 VAL HG23 H 1 0.731 0.005 . . . . . A 103 VAL HG23 . 18919 1
841 . 1 1 103 103 VAL CA C 13 61.984 0.051 . . . . . A 103 VAL CA . 18919 1
842 . 1 1 103 103 VAL CB C 13 32.581 0.053 . . . . . A 103 VAL CB . 18919 1
843 . 1 1 103 103 VAL CG1 C 13 17.807 0.124 . . . . . A 103 VAL CG1 . 18919 1
844 . 1 1 103 103 VAL N N 15 122.333 0.025 . . . . . A 103 VAL N . 18919 1
845 . 1 1 104 104 ASP H H 1 8.281 0.005 . . . . . A 104 ASP H . 18919 1
846 . 1 1 104 104 ASP HA H 1 4.473 0.003 . . . . . A 104 ASP HA . 18919 1
847 . 1 1 104 104 ASP HB2 H 1 2.573 0.011 . . . . . A 104 ASP HB2 . 18919 1
848 . 1 1 104 104 ASP HB3 H 1 2.471 0.000 . . . . . A 104 ASP HB3 . 18919 1
849 . 1 1 104 104 ASP N N 15 124.499 0.018 . . . . . A 104 ASP N . 18919 1
850 . 1 1 105 105 SER HA H 1 4.114 0.000 . . . . . . 105 SER HA . 18919 1
851 . 1 1 105 105 SER HB2 H 1 4.004 0.000 . . . . . . 105 SER QB . 18919 1
852 . 1 1 105 105 SER HB3 H 1 4.004 0.000 . . . . . . 105 SER QB . 18919 1
853 . 1 1 106 106 ASN H H 1 7.581 0.002 . . . . . . 106 ASN H . 18919 1
854 . 1 1 106 106 ASN HA H 1 4.264 0.000 . . . . . . 106 ASN HA . 18919 1
855 . 1 1 106 106 ASN HB2 H 1 2.977 0.000 . . . . . . 106 ASN HB2 . 18919 1
856 . 1 1 106 106 ASN HB3 H 1 2.782 0.000 . . . . . . 106 ASN HB3 . 18919 1
857 . 1 1 106 106 ASN N N 15 127.088 0.028 . . . . . . 106 ASN N . 18919 1
858 . 1 1 111 111 THR HG21 H 1 1.025 0.001 . . . . . . 111 THR QG2 . 18919 1
859 . 1 1 111 111 THR HG22 H 1 1.025 0.001 . . . . . . 111 THR QG2 . 18919 1
860 . 1 1 111 111 THR HG23 H 1 1.025 0.001 . . . . . . 111 THR QG2 . 18919 1
861 . 1 1 112 112 ASN HB2 H 1 2.647 0.004 . . . . . . 112 ASN HB2 . 18919 1
862 . 1 1 112 112 ASN HB3 H 1 2.705 0.003 . . . . . . 112 ASN HB3 . 18919 1
863 . 1 1 112 112 ASN HD21 H 1 6.815 0.005 . . . . . . 112 ASN HD21 . 18919 1
864 . 1 1 112 112 ASN HD22 H 1 7.566 0.004 . . . . . . 112 ASN HD22 . 18919 1
865 . 1 1 112 112 ASN ND2 N 15 113.640 0.051 . . . . . . 112 ASN ND2 . 18919 1
866 . 1 1 113 113 TRP HA H 1 4.266 0.000 . . . . . . 113 TRP HA . 18919 1
867 . 1 1 113 113 TRP HB2 H 1 2.855 0.000 . . . . . . 113 TRP QB . 18919 1
868 . 1 1 113 113 TRP HB3 H 1 2.855 0.000 . . . . . . 113 TRP QB . 18919 1
869 . 1 1 114 114 VAL HA H 1 3.834 0.000 . . . . . . 114 VAL HA . 18919 1
870 . 1 1 116 116 PRO HB2 H 1 2.075 0.000 . . . . . . 116 PRO QB . 18919 1
871 . 1 1 116 116 PRO HB3 H 1 2.075 0.000 . . . . . . 116 PRO QB . 18919 1
872 . 1 1 116 116 PRO HG2 H 1 1.774 0.000 . . . . . . 116 PRO QG . 18919 1
873 . 1 1 116 116 PRO HG3 H 1 1.774 0.000 . . . . . . 116 PRO QG . 18919 1
874 . 1 1 116 116 PRO HD3 H 1 3.271 0.003 . . . . . . 116 PRO HD3 . 18919 1
875 . 1 1 116 116 PRO CD C 13 47.675 0.111 . . . . . . 116 PRO CD . 18919 1
876 . 1 1 120 120 ALA HA H 1 3.652 0.000 . . . . . . 120 ALA HA . 18919 1
877 . 1 1 122 122 ILE H H 1 7.758 0.000 . . . . . . 122 ILE H . 18919 1
878 . 1 1 122 122 ILE HA H 1 4.474 0.690 . . . . . . 122 ILE HA . 18919 1
879 . 1 1 122 122 ILE HB H 1 1.533 0.000 . . . . . . 122 ILE HB . 18919 1
880 . 1 1 123 123 VAL HA H 1 4.207 0.000 . . . . . . 123 VAL HA . 18919 1
881 . 1 1 123 123 VAL HG11 H 1 -2.403 0.000 . . . . . . 123 VAL HG1 . 18919 1
882 . 1 1 123 123 VAL HG12 H 1 -2.403 0.000 . . . . . . 123 VAL HG1 . 18919 1
883 . 1 1 123 123 VAL HG13 H 1 -2.403 0.000 . . . . . . 123 VAL HG1 . 18919 1
884 . 1 1 124 124 ALA H H 1 8.154 0.003 . . . . . . 124 ALA H . 18919 1
885 . 1 1 124 124 ALA HB1 H 1 1.230 0.006 . . . . . . 124 ALA QB . 18919 1
886 . 1 1 124 124 ALA HB2 H 1 1.230 0.006 . . . . . . 124 ALA QB . 18919 1
887 . 1 1 124 124 ALA HB3 H 1 1.230 0.006 . . . . . . 124 ALA QB . 18919 1
888 . 1 1 124 124 ALA N N 15 124.593 0.010 . . . . . . 124 ALA N . 18919 1
889 . 1 1 125 125 LEU HA H 1 4.888 0.003 . . . . . . 125 LEU HA . 18919 1
890 . 1 1 126 126 MET H H 1 8.144 0.013 . . . . . . 126 MET H . 18919 1
891 . 1 1 126 126 MET HA H 1 4.040 0.002 . . . . . . 126 MET HA . 18919 1
892 . 1 1 126 126 MET HB2 H 1 1.673 0.001 . . . . . . 126 MET HB2 . 18919 1
893 . 1 1 126 126 MET HB3 H 1 1.740 0.003 . . . . . . 126 MET HB3 . 18919 1
894 . 1 1 126 126 MET HG2 H 1 1.966 0.001 . . . . . . 126 MET QG . 18919 1
895 . 1 1 126 126 MET HG3 H 1 1.966 0.001 . . . . . . 126 MET QG . 18919 1
896 . 1 1 126 126 MET N N 15 123.137 0.018 . . . . . . 126 MET N . 18919 1
897 . 1 1 127 127 TYR H H 1 8.186 0.003 . . . . . . 127 TYR H . 18919 1
898 . 1 1 127 127 TYR HA H 1 4.487 0.006 . . . . . . 127 TYR HA . 18919 1
899 . 1 1 127 127 TYR HB2 H 1 2.478 0.002 . . . . . . 127 TYR HB2 . 18919 1
900 . 1 1 127 127 TYR HB3 H 1 2.584 0.005 . . . . . . 127 TYR HB3 . 18919 1
901 . 1 1 127 127 TYR HD1 H 1 6.986 0.000 . . . . . . 127 TYR QD . 18919 1
902 . 1 1 127 127 TYR HD2 H 1 6.986 0.000 . . . . . . 127 TYR QD . 18919 1
903 . 1 1 127 127 TYR CA C 13 52.638 0.019 . . . . . . 127 TYR CA . 18919 1
904 . 1 1 127 127 TYR CB C 13 38.952 0.039 . . . . . . 127 TYR CB . 18919 1
905 . 1 1 127 127 TYR N N 15 119.910 0.041 . . . . . . 127 TYR N . 18919 1
906 . 1 1 128 128 ARG H H 1 8.139 0.004 . . . . . . 128 ARG H . 18919 1
907 . 1 1 128 128 ARG HD2 H 1 2.984 0.014 . . . . . . 128 ARG QD . 18919 1
908 . 1 1 128 128 ARG HD3 H 1 2.984 0.014 . . . . . . 128 ARG QD . 18919 1
909 . 1 1 128 128 ARG N N 15 121.788 0.027 . . . . . . 128 ARG N . 18919 1
910 . 1 1 129 129 LEU HB2 H 1 1.362 0.000 . . . . . . 129 LEU HB2 . 18919 1
911 . 1 1 129 129 LEU HB3 H 1 1.866 0.000 . . . . . . 129 LEU HB3 . 18919 1
912 . 1 1 129 129 LEU HG H 1 1.446 0.000 . . . . . . 129 LEU HG . 18919 1
913 . 1 1 129 129 LEU HD11 H 1 0.672 0.007 . . . . . . 129 LEU HD1 . 18919 1
914 . 1 1 129 129 LEU HD12 H 1 0.672 0.007 . . . . . . 129 LEU HD1 . 18919 1
915 . 1 1 129 129 LEU HD13 H 1 0.672 0.007 . . . . . . 129 LEU HD1 . 18919 1
916 . 1 1 129 129 LEU HD21 H 1 0.633 0.003 . . . . . . 129 LEU HD2 . 18919 1
917 . 1 1 129 129 LEU HD22 H 1 0.633 0.003 . . . . . . 129 LEU HD2 . 18919 1
918 . 1 1 129 129 LEU HD23 H 1 0.633 0.003 . . . . . . 129 LEU HD2 . 18919 1
919 . 1 1 131 131 MET HB3 H 1 1.776 0.002 . . . . . . 131 MET HB3 . 18919 1
920 . 1 1 132 132 ALA HA H 1 4.007 0.006 . . . . . . 132 ALA HA . 18919 1
921 . 1 1 132 132 ALA HB1 H 1 1.211 0.004 . . . . . . 132 ALA QB . 18919 1
922 . 1 1 132 132 ALA HB2 H 1 1.211 0.004 . . . . . . 132 ALA QB . 18919 1
923 . 1 1 132 132 ALA HB3 H 1 1.211 0.004 . . . . . . 132 ALA QB . 18919 1
924 . 1 1 132 132 ALA CA C 13 52.332 0.030 . . . . . . 132 ALA CA . 18919 1
925 . 1 1 132 132 ALA CB C 13 19.055 0.068 . . . . . . 132 ALA CB . 18919 1
926 . 1 1 133 133 ASP H H 1 8.128 0.004 . . . . . . 133 ASP H . 18919 1
927 . 1 1 133 133 ASP HA H 1 4.439 0.007 . . . . . . 133 ASP HA . 18919 1
928 . 1 1 133 133 ASP HB2 H 1 2.334 0.008 . . . . . . 133 ASP HB2 . 18919 1
929 . 1 1 133 133 ASP HB3 H 1 2.537 0.004 . . . . . . 133 ASP HB3 . 18919 1
930 . 1 1 133 133 ASP CA C 13 53.656 0.022 . . . . . . 133 ASP CA . 18919 1
931 . 1 1 133 133 ASP CB C 13 41.390 0.033 . . . . . . 133 ASP CB . 18919 1
932 . 1 1 133 133 ASP N N 15 120.504 0.016 . . . . . . 133 ASP N . 18919 1
933 . 1 1 134 134 ASP H H 1 7.753 0.003 . . . . . . 134 ASP H . 18919 1
934 . 1 1 134 134 ASP HA H 1 4.147 0.004 . . . . . . 134 ASP HA . 18919 1
935 . 1 1 134 134 ASP HB2 H 1 2.353 0.001 . . . . . . 134 ASP HB2 . 18919 1
936 . 1 1 134 134 ASP HB3 H 1 2.437 0.003 . . . . . . 134 ASP HB3 . 18919 1
937 . 1 1 134 134 ASP CA C 13 55.487 0.016 . . . . . . 134 ASP CA . 18919 1
938 . 1 1 134 134 ASP CB C 13 42.232 0.038 . . . . . . 134 ASP CB . 18919 1
939 . 1 1 134 134 ASP N N 15 125.600 0.058 . . . . . . 134 ASP N . 18919 1
stop_
save_