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 16591
_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
1 '2D 1H-15N HSQC' . . . 16591 1
2 '3D 1H-15N TOCSY' . . . 16591 1
3 '3D 1H-15N NOESY' . . . 16591 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 2 2 GLN HA H 1 4.276 0.000 . 1 . . . . 22 Q HA . 16591 1
2 . 1 1 2 2 GLN HE21 H 1 7.543 0.000 . 2 . . . . 22 Q HE21 . 16591 1
3 . 1 1 2 2 GLN HE22 H 1 6.806 0.000 . 2 . . . . 22 Q HE22 . 16591 1
4 . 1 1 2 2 GLN NE2 N 15 112.507 0.001 . 1 . . . . 22 Q NE2 . 16591 1
5 . 1 1 3 3 GLU H H 1 8.385 0.003 . 1 . . . . 23 E H . 16591 1
6 . 1 1 3 3 GLU HA H 1 4.216 0.000 . 1 . . . . 23 E HA . 16591 1
7 . 1 1 3 3 GLU HB2 H 1 1.985 0.005 . 2 . . . . 23 E HB1 . 16591 1
8 . 1 1 3 3 GLU HB3 H 1 1.891 0.004 . 2 . . . . 23 E HB2 . 16591 1
9 . 1 1 3 3 GLU HG2 H 1 2.210 0.004 . 2 . . . . 23 E QG . 16591 1
10 . 1 1 3 3 GLU HG3 H 1 2.210 0.004 . 2 . . . . 23 E QG . 16591 1
11 . 1 1 3 3 GLU N N 15 121.306 0.131 . 1 . . . . 23 E N . 16591 1
12 . 1 1 4 4 GLU H H 1 8.222 0.002 . 1 . . . . 24 E H . 16591 1
13 . 1 1 4 4 GLU HA H 1 4.202 0.006 . 1 . . . . 24 E HA . 16591 1
14 . 1 1 4 4 GLU HB2 H 1 1.967 0.004 . 2 . . . . 24 E HB1 . 16591 1
15 . 1 1 4 4 GLU HB3 H 1 1.868 0.003 . 2 . . . . 24 E HB2 . 16591 1
16 . 1 1 4 4 GLU HG2 H 1 2.188 0.003 . 2 . . . . 24 E QG . 16591 1
17 . 1 1 4 4 GLU HG3 H 1 2.188 0.003 . 2 . . . . 24 E QG . 16591 1
18 . 1 1 4 4 GLU N N 15 121.414 0.021 . 1 . . . . 24 E N . 16591 1
19 . 1 1 5 5 ASP H H 1 8.288 0.004 . 1 . . . . 25 D H . 16591 1
20 . 1 1 5 5 ASP HA H 1 4.522 0.008 . 1 . . . . 25 D HA . 16591 1
21 . 1 1 5 5 ASP HB2 H 1 2.587 0.007 . 2 . . . . 25 D HB1 . 16591 1
22 . 1 1 5 5 ASP HB3 H 1 2.526 0.001 . 2 . . . . 25 D HB2 . 16591 1
23 . 1 1 5 5 ASP N N 15 122.135 0.081 . 1 . . . . 25 D N . 16591 1
24 . 1 1 6 6 LEU H H 1 8.332 0.002 . 1 . . . . 26 L H . 16591 1
25 . 1 1 6 6 LEU HB2 H 1 1.756 0.004 . 2 . . . . 26 L HB1 . 16591 1
26 . 1 1 6 6 LEU HB3 H 1 1.574 0.007 . 2 . . . . 26 L HB2 . 16591 1
27 . 1 1 6 6 LEU HD11 H 1 0.860 0.000 . 2 . . . . 26 L MD1 . 16591 1
28 . 1 1 6 6 LEU HD12 H 1 0.860 0.000 . 2 . . . . 26 L MD1 . 16591 1
29 . 1 1 6 6 LEU HD13 H 1 0.860 0.000 . 2 . . . . 26 L MD1 . 16591 1
30 . 1 1 6 6 LEU HD21 H 1 0.766 0.000 . 2 . . . . 26 L MD2 . 16591 1
31 . 1 1 6 6 LEU HD22 H 1 0.766 0.000 . 2 . . . . 26 L MD2 . 16591 1
32 . 1 1 6 6 LEU HD23 H 1 0.766 0.000 . 2 . . . . 26 L MD2 . 16591 1
33 . 1 1 6 6 LEU HG H 1 1.446 0.003 . 1 . . . . 26 L HG . 16591 1
34 . 1 1 6 6 LEU N N 15 123.989 0.099 . 1 . . . . 26 L N . 16591 1
35 . 1 1 7 7 PRO HA H 1 4.495 0.000 . 1 . . . . 27 P HA . 16591 1
36 . 1 1 7 7 PRO HD2 H 1 3.688 0.008 . 2 . . . . 27 P QD . 16591 1
37 . 1 1 7 7 PRO HD3 H 1 3.688 0.008 . 2 . . . . 27 P QD . 16591 1
38 . 1 1 8 8 ARG H H 1 8.938 0.003 . 1 . . . . 28 R H . 16591 1
39 . 1 1 8 8 ARG HA H 1 4.387 0.005 . 1 . . . . 28 R HA . 16591 1
40 . 1 1 8 8 ARG HB2 H 1 1.836 0.007 . 2 . . . . 28 R HB1 . 16591 1
41 . 1 1 8 8 ARG HB3 H 1 1.716 0.001 . 2 . . . . 28 R HB2 . 16591 1
42 . 1 1 8 8 ARG N N 15 125.455 0.038 . 1 . . . . 28 R N . 16591 1
43 . 1 1 10 10 SER H H 1 8.630 0.004 . 1 . . . . 30 S H . 16591 1
44 . 1 1 10 10 SER HA H 1 4.951 0.005 . 1 . . . . 30 S HA . 16591 1
45 . 1 1 10 10 SER HB2 H 1 3.892 0.011 . 2 . . . . 30 S QB . 16591 1
46 . 1 1 10 10 SER HB3 H 1 3.892 0.011 . 2 . . . . 30 S QB . 16591 1
47 . 1 1 10 10 SER N N 15 112.442 0.065 . 1 . . . . 30 S N . 16591 1
48 . 1 1 11 11 ILE H H 1 8.705 0.005 . 1 . . . . 31 I H . 16591 1
49 . 1 1 11 11 ILE HA H 1 5.639 0.009 . 1 . . . . 31 I HA . 16591 1
50 . 1 1 11 11 ILE HB H 1 2.605 0.000 . 1 . . . . 31 I HB . 16591 1
51 . 1 1 11 11 ILE HD11 H 1 1.012 0.005 . 1 . . . . 31 I QD1 . 16591 1
52 . 1 1 11 11 ILE HD12 H 1 1.012 0.005 . 1 . . . . 31 I QD1 . 16591 1
53 . 1 1 11 11 ILE HD13 H 1 1.012 0.005 . 1 . . . . 31 I QD1 . 16591 1
54 . 1 1 11 11 ILE HG12 H 1 1.740 0.010 . 2 . . . . 31 I QG1 . 16591 1
55 . 1 1 11 11 ILE HG13 H 1 1.740 0.010 . 2 . . . . 31 I QG1 . 16591 1
56 . 1 1 11 11 ILE HG21 H 1 1.168 0.007 . 1 . . . . 31 I QG2 . 16591 1
57 . 1 1 11 11 ILE HG22 H 1 1.168 0.007 . 1 . . . . 31 I QG2 . 16591 1
58 . 1 1 11 11 ILE HG23 H 1 1.168 0.007 . 1 . . . . 31 I QG2 . 16591 1
59 . 1 1 11 11 ILE N N 15 120.880 0.030 . 1 . . . . 31 I N . 16591 1
60 . 1 1 12 12 SER H H 1 8.632 0.006 . 1 . . . . 32 S H . 16591 1
61 . 1 1 12 12 SER HA H 1 4.548 0.004 . 1 . . . . 32 S HA . 16591 1
62 . 1 1 12 12 SER HB2 H 1 3.744 0.006 . 2 . . . . 32 S QB . 16591 1
63 . 1 1 12 12 SER HB3 H 1 3.744 0.006 . 2 . . . . 32 S QB . 16591 1
64 . 1 1 12 12 SER N N 15 120.580 0.064 . 1 . . . . 32 S N . 16591 1
65 . 1 1 13 13 ALA H H 1 8.324 0.003 . 1 . . . . 33 A H . 16591 1
66 . 1 1 13 13 ALA HA H 1 5.165 0.005 . 1 . . . . 33 A HA . 16591 1
67 . 1 1 13 13 ALA HB1 H 1 0.691 0.005 . 1 . . . . 33 A MB . 16591 1
68 . 1 1 13 13 ALA HB2 H 1 0.691 0.005 . 1 . . . . 33 A MB . 16591 1
69 . 1 1 13 13 ALA HB3 H 1 0.691 0.005 . 1 . . . . 33 A MB . 16591 1
70 . 1 1 13 13 ALA N N 15 122.156 0.045 . 1 . . . . 33 A N . 16591 1
71 . 1 1 14 14 GLU H H 1 8.875 0.005 . 1 . . . . 34 E H . 16591 1
72 . 1 1 14 14 GLU HA H 1 4.499 0.004 . 1 . . . . 34 E HA . 16591 1
73 . 1 1 14 14 GLU HB2 H 1 1.690 0.004 . 2 . . . . 34 E QB . 16591 1
74 . 1 1 14 14 GLU HB3 H 1 1.690 0.004 . 2 . . . . 34 E QB . 16591 1
75 . 1 1 14 14 GLU HG2 H 1 2.065 0.000 . 2 . . . . 34 E HG1 . 16591 1
76 . 1 1 14 14 GLU HG3 H 1 1.985 0.002 . 2 . . . . 34 E HG2 . 16591 1
77 . 1 1 14 14 GLU N N 15 118.945 0.069 . 1 . . . . 34 E N . 16591 1
78 . 1 1 16 16 GLY H H 1 6.963 0.003 . 1 . . . . 36 G H . 16591 1
79 . 1 1 16 16 GLY HA2 H 1 4.142 0.004 . 2 . . . . 36 G HA1 . 16591 1
80 . 1 1 16 16 GLY HA3 H 1 3.885 0.004 . 2 . . . . 36 G HA2 . 16591 1
81 . 1 1 16 16 GLY N N 15 109.823 0.031 . 1 . . . . 36 G N . 16591 1
82 . 1 1 17 17 THR H H 1 7.855 0.004 . 1 . . . . 37 T H . 16591 1
83 . 1 1 17 17 THR HA H 1 4.154 0.008 . 1 . . . . 37 T HA . 16591 1
84 . 1 1 17 17 THR HG21 H 1 1.121 0.000 . 1 . . . . 37 T QG2 . 16591 1
85 . 1 1 17 17 THR HG22 H 1 1.121 0.000 . 1 . . . . 37 T QG2 . 16591 1
86 . 1 1 17 17 THR HG23 H 1 1.121 0.000 . 1 . . . . 37 T QG2 . 16591 1
87 . 1 1 17 17 THR N N 15 103.483 0.037 . 1 . . . . 37 T N . 16591 1
88 . 1 1 18 18 VAL H H 1 7.306 0.004 . 1 . . . . 38 V H . 16591 1
89 . 1 1 18 18 VAL HA H 1 4.779 0.007 . 1 . . . . 38 V HA . 16591 1
90 . 1 1 18 18 VAL HB H 1 1.897 0.012 . 1 . . . . 38 V HB . 16591 1
91 . 1 1 18 18 VAL HG11 H 1 0.874 0.004 . 2 . . . . 38 V MG1 . 16591 1
92 . 1 1 18 18 VAL HG12 H 1 0.874 0.004 . 2 . . . . 38 V MG1 . 16591 1
93 . 1 1 18 18 VAL HG13 H 1 0.874 0.004 . 2 . . . . 38 V MG1 . 16591 1
94 . 1 1 18 18 VAL HG21 H 1 0.686 0.005 . 2 . . . . 38 V MG2 . 16591 1
95 . 1 1 18 18 VAL HG22 H 1 0.686 0.005 . 2 . . . . 38 V MG2 . 16591 1
96 . 1 1 18 18 VAL HG23 H 1 0.686 0.005 . 2 . . . . 38 V MG2 . 16591 1
97 . 1 1 18 18 VAL N N 15 120.846 0.012 . 1 . . . . 38 V N . 16591 1
98 . 1 1 19 19 ILE H H 1 8.549 0.004 . 1 . . . . 39 I H . 16591 1
99 . 1 1 19 19 ILE HA H 1 4.731 0.000 . 1 . . . . 39 I HA . 16591 1
100 . 1 1 19 19 ILE HB H 1 1.739 0.010 . 1 . . . . 39 I HB . 16591 1
101 . 1 1 19 19 ILE HD11 H 1 0.559 0.000 . 1 . . . . 39 I QD1 . 16591 1
102 . 1 1 19 19 ILE HD12 H 1 0.559 0.000 . 1 . . . . 39 I QD1 . 16591 1
103 . 1 1 19 19 ILE HD13 H 1 0.559 0.000 . 1 . . . . 39 I QD1 . 16591 1
104 . 1 1 19 19 ILE HG12 H 1 1.627 0.011 . 2 . . . . 39 I QG1 . 16591 1
105 . 1 1 19 19 ILE HG13 H 1 1.627 0.011 . 2 . . . . 39 I QG1 . 16591 1
106 . 1 1 19 19 ILE HG21 H 1 0.663 0.008 . 1 . . . . 39 I QG2 . 16591 1
107 . 1 1 19 19 ILE HG22 H 1 0.663 0.008 . 1 . . . . 39 I QG2 . 16591 1
108 . 1 1 19 19 ILE HG23 H 1 0.663 0.008 . 1 . . . . 39 I QG2 . 16591 1
109 . 1 1 19 19 ILE N N 15 129.241 0.026 . 1 . . . . 39 I N . 16591 1
110 . 1 1 21 21 LEU H H 1 8.122 0.007 . 1 . . . . 41 L H . 16591 1
111 . 1 1 21 21 LEU HA H 1 3.628 0.003 . 1 . . . . 41 L HA . 16591 1
112 . 1 1 21 21 LEU HB2 H 1 2.062 0.002 . 2 . . . . 41 L QB . 16591 1
113 . 1 1 21 21 LEU HB3 H 1 2.062 0.002 . 2 . . . . 41 L QB . 16591 1
114 . 1 1 21 21 LEU N N 15 122.932 0.043 . 1 . . . . 41 L N . 16591 1
115 . 1 1 22 22 GLY H H 1 8.969 0.005 . 1 . . . . 42 G H . 16591 1
116 . 1 1 22 22 GLY HA2 H 1 4.283 0.006 . 2 . . . . 42 G HA1 . 16591 1
117 . 1 1 22 22 GLY HA3 H 1 3.694 0.012 . 2 . . . . 42 G HA2 . 16591 1
118 . 1 1 22 22 GLY N N 15 113.807 0.044 . 1 . . . . 42 G N . 16591 1
119 . 1 1 23 23 SER H H 1 8.023 0.004 . 1 . . . . 43 S H . 16591 1
120 . 1 1 23 23 SER HA H 1 3.891 0.011 . 1 . . . . 43 S HA . 16591 1
121 . 1 1 23 23 SER HB2 H 1 3.843 0.005 . 2 . . . . 43 S QB . 16591 1
122 . 1 1 23 23 SER HB3 H 1 3.843 0.005 . 2 . . . . 43 S QB . 16591 1
123 . 1 1 23 23 SER N N 15 116.858 0.068 . 1 . . . . 43 S N . 16591 1
124 . 1 1 24 24 HIS H H 1 7.359 0.005 . 1 . . . . 44 H H . 16591 1
125 . 1 1 24 24 HIS HA H 1 5.276 0.006 . 1 . . . . 44 H HA . 16591 1
126 . 1 1 24 24 HIS HB2 H 1 3.157 0.005 . 2 . . . . 44 H HB1 . 16591 1
127 . 1 1 24 24 HIS HB3 H 1 3.013 0.006 . 2 . . . . 44 H HB2 . 16591 1
128 . 1 1 24 24 HIS N N 15 116.310 0.013 . 1 . . . . 44 H N . 16591 1
129 . 1 1 25 25 VAL H H 1 8.379 0.007 . 1 . . . . 45 V H . 16591 1
130 . 1 1 25 25 VAL HA H 1 4.489 0.007 . 1 . . . . 45 V HA . 16591 1
131 . 1 1 25 25 VAL HB H 1 1.738 0.009 . 1 . . . . 45 V HB . 16591 1
132 . 1 1 25 25 VAL HG11 H 1 0.433 0.018 . 1 . . . . 45 V HG11 . 16591 1
133 . 1 1 25 25 VAL HG12 H 1 0.433 0.018 . 1 . . . . 45 V HG12 . 16591 1
134 . 1 1 25 25 VAL HG13 H 1 0.433 0.018 . 1 . . . . 45 V HG13 . 16591 1
135 . 1 1 25 25 VAL HG21 H 1 0.433 0.018 . 1 . . . . 45 V HG21 . 16591 1
136 . 1 1 25 25 VAL HG22 H 1 0.433 0.018 . 1 . . . . 45 V HG22 . 16591 1
137 . 1 1 25 25 VAL HG23 H 1 0.433 0.018 . 1 . . . . 45 V HG23 . 16591 1
138 . 1 1 25 25 VAL N N 15 116.025 0.053 . 1 . . . . 45 V N . 16591 1
139 . 1 1 26 26 THR H H 1 8.463 0.006 . 1 . . . . 46 T H . 16591 1
140 . 1 1 26 26 THR HA H 1 5.095 0.001 . 1 . . . . 46 T HA . 16591 1
141 . 1 1 26 26 THR HB H 1 3.819 0.005 . 1 . . . . 46 T HB . 16591 1
142 . 1 1 26 26 THR HG21 H 1 0.934 0.006 . 1 . . . . 46 T QG2 . 16591 1
143 . 1 1 26 26 THR HG22 H 1 0.934 0.006 . 1 . . . . 46 T QG2 . 16591 1
144 . 1 1 26 26 THR HG23 H 1 0.934 0.006 . 1 . . . . 46 T QG2 . 16591 1
145 . 1 1 26 26 THR N N 15 122.189 0.021 . 1 . . . . 46 T N . 16591 1
146 . 1 1 27 27 PHE H H 1 9.227 0.008 . 1 . . . . 47 F H . 16591 1
147 . 1 1 27 27 PHE HA H 1 5.076 0.009 . 1 . . . . 47 F HA . 16591 1
148 . 1 1 27 27 PHE HB2 H 1 2.876 0.005 . 2 . . . . 47 F HB1 . 16591 1
149 . 1 1 27 27 PHE HB3 H 1 2.787 0.006 . 2 . . . . 47 F HB2 . 16591 1
150 . 1 1 27 27 PHE HD1 H 1 6.813 0.000 . 3 . . . . 47 F QD . 16591 1
151 . 1 1 27 27 PHE HD2 H 1 6.813 0.000 . 3 . . . . 47 F QD . 16591 1
152 . 1 1 27 27 PHE HE1 H 1 7.144 0.000 . 3 . . . . 47 F QE . 16591 1
153 . 1 1 27 27 PHE HE2 H 1 7.144 0.000 . 3 . . . . 47 F QE . 16591 1
154 . 1 1 27 27 PHE N N 15 125.555 0.031 . 1 . . . . 47 F N . 16591 1
155 . 1 1 28 28 VAL H H 1 9.152 0.004 . 1 . . . . 48 V H . 16591 1
156 . 1 1 28 28 VAL HA H 1 4.643 0.012 . 1 . . . . 48 V HA . 16591 1
157 . 1 1 28 28 VAL HB H 1 1.898 0.005 . 1 . . . . 48 V HB . 16591 1
158 . 1 1 28 28 VAL HG11 H 1 0.582 0.006 . 1 . . . . 48 V HG11 . 16591 1
159 . 1 1 28 28 VAL HG12 H 1 0.582 0.006 . 1 . . . . 48 V HG12 . 16591 1
160 . 1 1 28 28 VAL HG13 H 1 0.582 0.006 . 1 . . . . 48 V HG13 . 16591 1
161 . 1 1 28 28 VAL HG21 H 1 0.582 0.006 . 1 . . . . 48 V HG21 . 16591 1
162 . 1 1 28 28 VAL HG22 H 1 0.582 0.006 . 1 . . . . 48 V HG22 . 16591 1
163 . 1 1 28 28 VAL HG23 H 1 0.582 0.006 . 1 . . . . 48 V HG23 . 16591 1
164 . 1 1 28 28 VAL N N 15 124.206 0.019 . 1 . . . . 48 V N . 16591 1
165 . 1 1 29 29 CYS H H 1 8.824 0.006 . 1 . . . . 49 C H . 16591 1
166 . 1 1 29 29 CYS HA H 1 5.764 0.004 . 1 . . . . 49 C HA . 16591 1
167 . 1 1 29 29 CYS HB2 H 1 2.705 0.007 . 2 . . . . 49 C QB . 16591 1
168 . 1 1 29 29 CYS HB3 H 1 2.705 0.007 . 2 . . . . 49 C QB . 16591 1
169 . 1 1 29 29 CYS N N 15 125.629 0.053 . 1 . . . . 49 C N . 16591 1
170 . 1 1 30 30 ARG H H 1 8.625 0.008 . 1 . . . . 50 R H . 16591 1
171 . 1 1 30 30 ARG HA H 1 5.368 0.010 . 1 . . . . 50 R HA . 16591 1
172 . 1 1 30 30 ARG HB2 H 1 1.835 0.013 . 2 . . . . 50 R QB . 16591 1
173 . 1 1 30 30 ARG HB3 H 1 1.835 0.013 . 2 . . . . 50 R QB . 16591 1
174 . 1 1 30 30 ARG HD2 H 1 3.004 0.009 . 2 . . . . 50 R QD . 16591 1
175 . 1 1 30 30 ARG HD3 H 1 3.004 0.009 . 2 . . . . 50 R QD . 16591 1
176 . 1 1 30 30 ARG HG2 H 1 1.675 0.002 . 2 . . . . 50 R HG1 . 16591 1
177 . 1 1 30 30 ARG HG3 H 1 1.544 0.014 . 2 . . . . 50 R HG2 . 16591 1
178 . 1 1 30 30 ARG N N 15 120.998 0.098 . 1 . . . . 50 R N . 16591 1
179 . 1 1 31 31 GLY H H 1 8.413 0.005 . 1 . . . . 51 G H . 16591 1
180 . 1 1 31 31 GLY HA2 H 1 3.265 0.013 . 2 . . . . 51 G QA . 16591 1
181 . 1 1 31 31 GLY HA3 H 1 3.265 0.013 . 2 . . . . 51 G QA . 16591 1
182 . 1 1 31 31 GLY N N 15 108.629 0.022 . 1 . . . . 51 G N . 16591 1
183 . 1 1 33 33 VAL H H 1 7.745 0.003 . 1 . . . . 53 V H . 16591 1
184 . 1 1 33 33 VAL HA H 1 3.715 0.005 . 1 . . . . 53 V HA . 16591 1
185 . 1 1 33 33 VAL HB H 1 1.838 0.007 . 1 . . . . 53 V HB . 16591 1
186 . 1 1 33 33 VAL HG11 H 1 0.810 0.003 . 1 . . . . 53 V HG11 . 16591 1
187 . 1 1 33 33 VAL HG12 H 1 0.810 0.003 . 1 . . . . 53 V HG12 . 16591 1
188 . 1 1 33 33 VAL HG13 H 1 0.810 0.003 . 1 . . . . 53 V HG13 . 16591 1
189 . 1 1 33 33 VAL HG21 H 1 0.810 0.003 . 1 . . . . 53 V HG21 . 16591 1
190 . 1 1 33 33 VAL HG22 H 1 0.810 0.003 . 1 . . . . 53 V HG22 . 16591 1
191 . 1 1 33 33 VAL HG23 H 1 0.810 0.003 . 1 . . . . 53 V HG23 . 16591 1
192 . 1 1 33 33 VAL N N 15 117.762 0.046 . 1 . . . . 53 V N . 16591 1
193 . 1 1 34 34 GLY H H 1 8.706 0.003 . 1 . . . . 54 G H . 16591 1
194 . 1 1 34 34 GLY HA2 H 1 3.969 0.005 . 2 . . . . 54 G HA1 . 16591 1
195 . 1 1 34 34 GLY HA3 H 1 3.580 0.004 . 2 . . . . 54 G HA2 . 16591 1
196 . 1 1 34 34 GLY N N 15 111.177 0.018 . 1 . . . . 54 G N . 16591 1
197 . 1 1 35 35 VAL H H 1 6.554 0.006 . 1 . . . . 55 V H . 16591 1
198 . 1 1 35 35 VAL HA H 1 3.118 0.009 . 1 . . . . 55 V HA . 16591 1
199 . 1 1 35 35 VAL HB H 1 1.480 0.004 . 1 . . . . 55 V HB . 16591 1
200 . 1 1 35 35 VAL HG11 H 1 0.144 0.003 . 2 . . . . 55 V MG1 . 16591 1
201 . 1 1 35 35 VAL HG12 H 1 0.144 0.003 . 2 . . . . 55 V MG1 . 16591 1
202 . 1 1 35 35 VAL HG13 H 1 0.144 0.003 . 2 . . . . 55 V MG1 . 16591 1
203 . 1 1 35 35 VAL HG21 H 1 0.018 0.011 . 2 . . . . 55 V MG2 . 16591 1
204 . 1 1 35 35 VAL HG22 H 1 0.018 0.011 . 2 . . . . 55 V MG2 . 16591 1
205 . 1 1 35 35 VAL HG23 H 1 0.018 0.011 . 2 . . . . 55 V MG2 . 16591 1
206 . 1 1 35 35 VAL N N 15 118.825 0.060 . 1 . . . . 55 V N . 16591 1
207 . 1 1 36 36 GLN H H 1 8.376 0.008 . 1 . . . . 56 Q H . 16591 1
208 . 1 1 36 36 GLN HA H 1 4.425 0.009 . 1 . . . . 56 Q HA . 16591 1
209 . 1 1 36 36 GLN HB2 H 1 1.937 0.009 . 2 . . . . 56 Q QB . 16591 1
210 . 1 1 36 36 GLN HB3 H 1 1.937 0.009 . 2 . . . . 56 Q QB . 16591 1
211 . 1 1 36 36 GLN HE21 H 1 7.506 0.003 . 2 . . . . 56 Q HE21 . 16591 1
212 . 1 1 36 36 GLN HE22 H 1 6.714 0.002 . 2 . . . . 56 Q HE22 . 16591 1
213 . 1 1 36 36 GLN HG2 H 1 2.394 0.005 . 2 . . . . 56 Q QG . 16591 1
214 . 1 1 36 36 GLN HG3 H 1 2.394 0.005 . 2 . . . . 56 Q QG . 16591 1
215 . 1 1 36 36 GLN N N 15 124.702 0.053 . 1 . . . . 56 Q N . 16591 1
216 . 1 1 36 36 GLN NE2 N 15 111.664 0.040 . 1 . . . . 56 Q NE2 . 16591 1
217 . 1 1 37 37 THR H H 1 7.029 0.007 . 1 . . . . 57 T H . 16591 1
218 . 1 1 37 37 THR HA H 1 5.105 0.006 . 1 . . . . 57 T HA . 16591 1
219 . 1 1 37 37 THR HB H 1 3.545 0.003 . 1 . . . . 57 T HB . 16591 1
220 . 1 1 37 37 THR HG21 H 1 1.277 0.004 . 1 . . . . 57 T QG2 . 16591 1
221 . 1 1 37 37 THR HG22 H 1 1.277 0.004 . 1 . . . . 57 T QG2 . 16591 1
222 . 1 1 37 37 THR HG23 H 1 1.277 0.004 . 1 . . . . 57 T QG2 . 16591 1
223 . 1 1 37 37 THR N N 15 112.342 0.036 . 1 . . . . 57 T N . 16591 1
224 . 1 1 38 38 PHE H H 1 8.911 0.005 . 1 . . . . 58 F H . 16591 1
225 . 1 1 38 38 PHE HA H 1 5.290 0.006 . 1 . . . . 58 F HA . 16591 1
226 . 1 1 38 38 PHE HB2 H 1 3.184 0.004 . 2 . . . . 58 F HB1 . 16591 1
227 . 1 1 38 38 PHE HB3 H 1 2.623 0.004 . 2 . . . . 58 F HB2 . 16591 1
228 . 1 1 38 38 PHE HD1 H 1 7.208 0.007 . 3 . . . . 58 F QD . 16591 1
229 . 1 1 38 38 PHE HD2 H 1 7.208 0.007 . 3 . . . . 58 F QD . 16591 1
230 . 1 1 38 38 PHE N N 15 123.929 0.104 . 1 . . . . 58 F N . 16591 1
231 . 1 1 39 39 ARG H H 1 9.628 0.004 . 1 . . . . 59 R H . 16591 1
232 . 1 1 39 39 ARG HA H 1 5.665 0.004 . 1 . . . . 59 R HA . 16591 1
233 . 1 1 39 39 ARG HB2 H 1 2.060 0.010 . 2 . . . . 59 R HB1 . 16591 1
234 . 1 1 39 39 ARG HB3 H 1 1.747 0.006 . 2 . . . . 59 R HB2 . 16591 1
235 . 1 1 39 39 ARG HD2 H 1 3.243 0.000 . 2 . . . . 59 R QD . 16591 1
236 . 1 1 39 39 ARG HD3 H 1 3.243 0.000 . 2 . . . . 59 R QD . 16591 1
237 . 1 1 39 39 ARG HG2 H 1 1.588 0.000 . 2 . . . . 59 R HG1 . 16591 1
238 . 1 1 39 39 ARG HG3 H 1 1.092 0.004 . 2 . . . . 59 R HG2 . 16591 1
239 . 1 1 39 39 ARG N N 15 124.109 0.072 . 1 . . . . 59 R N . 16591 1
240 . 1 1 40 40 LEU H H 1 8.894 0.005 . 1 . . . . 60 L H . 16591 1
241 . 1 1 40 40 LEU HA H 1 4.814 0.006 . 1 . . . . 60 L HA . 16591 1
242 . 1 1 40 40 LEU HB2 H 1 1.106 0.010 . 2 . . . . 60 L QB . 16591 1
243 . 1 1 40 40 LEU HB3 H 1 1.106 0.010 . 2 . . . . 60 L QB . 16591 1
244 . 1 1 40 40 LEU HD11 H 1 -0.409 0.006 . 2 . . . . 60 L QD11 . 16591 1
245 . 1 1 40 40 LEU HD12 H 1 -0.409 0.006 . 2 . . . . 60 L QD12 . 16591 1
246 . 1 1 40 40 LEU HD13 H 1 -0.409 0.006 . 2 . . . . 60 L QD13 . 16591 1
247 . 1 1 40 40 LEU HD21 H 1 -0.409 0.006 . 2 . . . . 60 L QD21 . 16591 1
248 . 1 1 40 40 LEU HD22 H 1 -0.409 0.006 . 2 . . . . 60 L QD22 . 16591 1
249 . 1 1 40 40 LEU HD23 H 1 -0.409 0.006 . 2 . . . . 60 L QD23 . 16591 1
250 . 1 1 40 40 LEU N N 15 128.853 0.021 . 1 . . . . 60 L N . 16591 1
251 . 1 1 41 41 GLU H H 1 9.395 0.003 . 1 . . . . 61 E H . 16591 1
252 . 1 1 41 41 GLU HA H 1 4.680 0.005 . 1 . . . . 61 E HA . 16591 1
253 . 1 1 41 41 GLU HB2 H 1 1.699 0.007 . 2 . . . . 61 E QB . 16591 1
254 . 1 1 41 41 GLU HB3 H 1 1.699 0.007 . 2 . . . . 61 E QB . 16591 1
255 . 1 1 41 41 GLU HG2 H 1 1.989 0.006 . 2 . . . . 61 E HG1 . 16591 1
256 . 1 1 41 41 GLU HG3 H 1 1.882 0.008 . 2 . . . . 61 E HG2 . 16591 1
257 . 1 1 41 41 GLU N N 15 128.584 0.049 . 1 . . . . 61 E N . 16591 1
258 . 1 1 42 42 ARG H H 1 8.103 0.008 . 1 . . . . 62 R H . 16591 1
259 . 1 1 42 42 ARG HA H 1 4.496 0.004 . 1 . . . . 62 R HA . 16591 1
260 . 1 1 42 42 ARG HB2 H 1 1.691 0.006 . 2 . . . . 62 R QB . 16591 1
261 . 1 1 42 42 ARG HB3 H 1 1.691 0.006 . 2 . . . . 62 R QB . 16591 1
262 . 1 1 42 42 ARG HD2 H 1 2.737 0.006 . 2 . . . . 62 R QD . 16591 1
263 . 1 1 42 42 ARG HD3 H 1 2.737 0.006 . 2 . . . . 62 R QD . 16591 1
264 . 1 1 42 42 ARG HG2 H 1 1.365 0.009 . 2 . . . . 62 R QG . 16591 1
265 . 1 1 42 42 ARG HG3 H 1 1.365 0.009 . 2 . . . . 62 R QG . 16591 1
266 . 1 1 42 42 ARG N N 15 121.138 0.115 . 1 . . . . 62 R N . 16591 1
267 . 1 1 43 43 GLU H H 1 8.074 0.003 . 1 . . . . 63 E H . 16591 1
268 . 1 1 43 43 GLU HA H 1 3.927 0.002 . 1 . . . . 63 E HA . 16591 1
269 . 1 1 43 43 GLU HB2 H 1 1.866 0.000 . 2 . . . . 63 E QB . 16591 1
270 . 1 1 43 43 GLU HB3 H 1 1.866 0.000 . 2 . . . . 63 E QB . 16591 1
271 . 1 1 43 43 GLU HG2 H 1 2.111 0.001 . 2 . . . . 63 E QG . 16591 1
272 . 1 1 43 43 GLU HG3 H 1 2.111 0.001 . 2 . . . . 63 E QG . 16591 1
273 . 1 1 43 43 GLU N N 15 122.926 0.025 . 1 . . . . 63 E N . 16591 1
274 . 1 1 47 47 THR H H 1 7.439 0.004 . 1 . . . . 67 T H . 16591 1
275 . 1 1 47 47 THR HA H 1 4.310 0.004 . 1 . . . . 67 T HA . 16591 1
276 . 1 1 47 47 THR HB H 1 4.022 0.006 . 1 . . . . 67 T HB . 16591 1
277 . 1 1 47 47 THR HG21 H 1 1.055 0.003 . 1 . . . . 67 T QG2 . 16591 1
278 . 1 1 47 47 THR HG22 H 1 1.055 0.003 . 1 . . . . 67 T QG2 . 16591 1
279 . 1 1 47 47 THR HG23 H 1 1.055 0.003 . 1 . . . . 67 T QG2 . 16591 1
280 . 1 1 47 47 THR N N 15 114.536 0.029 . 1 . . . . 67 T N . 16591 1
281 . 1 1 48 48 TYR H H 1 7.845 0.005 . 1 . . . . 68 Y H . 16591 1
282 . 1 1 48 48 TYR HA H 1 5.244 0.005 . 1 . . . . 68 Y HA . 16591 1
283 . 1 1 48 48 TYR HB2 H 1 2.865 0.004 . 2 . . . . 68 Y HB1 . 16591 1
284 . 1 1 48 48 TYR HB3 H 1 2.671 0.003 . 2 . . . . 68 Y HB2 . 16591 1
285 . 1 1 48 48 TYR HD1 H 1 6.700 0.000 . 3 . . . . 68 Y QD . 16591 1
286 . 1 1 48 48 TYR HD2 H 1 6.700 0.000 . 3 . . . . 68 Y QD . 16591 1
287 . 1 1 48 48 TYR N N 15 120.070 0.024 . 1 . . . . 68 Y N . 16591 1
288 . 1 1 49 49 ASN H H 1 8.376 0.005 . 1 . . . . 69 N H . 16591 1
289 . 1 1 49 49 ASN HA H 1 5.047 0.004 . 1 . . . . 69 N HA . 16591 1
290 . 1 1 49 49 ASN HB2 H 1 3.019 0.002 . 2 . . . . 69 N HB1 . 16591 1
291 . 1 1 49 49 ASN HB3 H 1 2.469 0.003 . 2 . . . . 69 N HB2 . 16591 1
292 . 1 1 49 49 ASN HD21 H 1 7.644 0.001 . 2 . . . . 69 N HD21 . 16591 1
293 . 1 1 49 49 ASN HD22 H 1 6.900 0.002 . 2 . . . . 69 N HD22 . 16591 1
294 . 1 1 49 49 ASN N N 15 117.606 0.077 . 1 . . . . 69 N N . 16591 1
295 . 1 1 49 49 ASN ND2 N 15 111.233 0.050 . 1 . . . . 69 N ND2 . 16591 1
296 . 1 1 50 50 ASP H H 1 8.838 0.004 . 1 . . . . 70 D H . 16591 1
297 . 1 1 50 50 ASP HA H 1 6.167 0.008 . 1 . . . . 70 D HA . 16591 1
298 . 1 1 50 50 ASP HB2 H 1 2.698 0.006 . 2 . . . . 70 D HB1 . 16591 1
299 . 1 1 50 50 ASP HB3 H 1 2.605 0.004 . 2 . . . . 70 D HB2 . 16591 1
300 . 1 1 50 50 ASP N N 15 122.929 0.031 . 1 . . . . 70 D N . 16591 1
301 . 1 1 51 51 THR H H 1 9.277 0.005 . 1 . . . . 71 T H . 16591 1
302 . 1 1 51 51 THR HA H 1 4.832 0.005 . 1 . . . . 71 T HA . 16591 1
303 . 1 1 51 51 THR HB H 1 4.011 0.004 . 1 . . . . 71 T HB . 16591 1
304 . 1 1 51 51 THR HG21 H 1 0.869 0.005 . 1 . . . . 71 T QG2 . 16591 1
305 . 1 1 51 51 THR HG22 H 1 0.869 0.005 . 1 . . . . 71 T QG2 . 16591 1
306 . 1 1 51 51 THR HG23 H 1 0.869 0.005 . 1 . . . . 71 T QG2 . 16591 1
307 . 1 1 51 51 THR N N 15 113.743 0.026 . 1 . . . . 71 T N . 16591 1
308 . 1 1 52 52 GLU H H 1 8.639 0.003 . 1 . . . . 72 E H . 16591 1
309 . 1 1 52 52 GLU HA H 1 5.060 0.005 . 1 . . . . 72 E HA . 16591 1
310 . 1 1 52 52 GLU HB2 H 1 1.863 0.004 . 2 . . . . 72 E QB . 16591 1
311 . 1 1 52 52 GLU HB3 H 1 1.863 0.004 . 2 . . . . 72 E QB . 16591 1
312 . 1 1 52 52 GLU HG2 H 1 2.481 0.002 . 2 . . . . 72 E HG1 . 16591 1
313 . 1 1 52 52 GLU HG3 H 1 2.378 0.005 . 2 . . . . 72 E HG2 . 16591 1
314 . 1 1 52 52 GLU N N 15 124.936 0.047 . 1 . . . . 72 E N . 16591 1
315 . 1 1 53 53 ASP H H 1 8.835 0.003 . 1 . . . . 73 D H . 16591 1
316 . 1 1 53 53 ASP HA H 1 4.783 0.003 . 1 . . . . 73 D HA . 16591 1
317 . 1 1 53 53 ASP HB2 H 1 2.791 0.006 . 2 . . . . 73 D HB1 . 16591 1
318 . 1 1 53 53 ASP HB3 H 1 2.511 0.007 . 2 . . . . 73 D HB2 . 16591 1
319 . 1 1 53 53 ASP N N 15 126.715 0.059 . 1 . . . . 73 D N . 16591 1
320 . 1 1 54 54 VAL H H 1 7.631 0.003 . 1 . . . . 74 V H . 16591 1
321 . 1 1 54 54 VAL HA H 1 4.433 0.008 . 1 . . . . 74 V HA . 16591 1
322 . 1 1 54 54 VAL HB H 1 1.957 0.003 . 1 . . . . 74 V HB . 16591 1
323 . 1 1 54 54 VAL HG11 H 1 0.977 0.003 . 2 . . . . 74 V MG1 . 16591 1
324 . 1 1 54 54 VAL HG12 H 1 0.977 0.003 . 2 . . . . 74 V MG1 . 16591 1
325 . 1 1 54 54 VAL HG13 H 1 0.977 0.003 . 2 . . . . 74 V MG1 . 16591 1
326 . 1 1 54 54 VAL HG21 H 1 0.817 0.005 . 2 . . . . 74 V MG2 . 16591 1
327 . 1 1 54 54 VAL HG22 H 1 0.817 0.005 . 2 . . . . 74 V MG2 . 16591 1
328 . 1 1 54 54 VAL HG23 H 1 0.817 0.005 . 2 . . . . 74 V MG2 . 16591 1
329 . 1 1 54 54 VAL N N 15 123.659 0.036 . 1 . . . . 74 V N . 16591 1
330 . 1 1 55 55 SER H H 1 9.066 0.003 . 1 . . . . 75 S H . 16591 1
331 . 1 1 55 55 SER HA H 1 4.792 0.009 . 1 . . . . 75 S HA . 16591 1
332 . 1 1 55 55 SER HB2 H 1 3.743 0.005 . 2 . . . . 75 S QB . 16591 1
333 . 1 1 55 55 SER HB3 H 1 3.743 0.005 . 2 . . . . 75 S QB . 16591 1
334 . 1 1 55 55 SER N N 15 122.544 0.011 . 1 . . . . 75 S N . 16591 1
335 . 1 1 56 56 GLN H H 1 8.825 0.011 . 1 . . . . 76 Q H . 16591 1
336 . 1 1 56 56 GLN HA H 1 4.592 0.016 . 1 . . . . 76 Q HA . 16591 1
337 . 1 1 56 56 GLN HB2 H 1 2.030 0.006 . 2 . . . . 76 Q HB1 . 16591 1
338 . 1 1 56 56 GLN HB3 H 1 1.918 0.015 . 2 . . . . 76 Q HB2 . 16591 1
339 . 1 1 56 56 GLN HE21 H 1 6.617 0.003 . 2 . . . . 76 Q HE21 . 16591 1
340 . 1 1 56 56 GLN HE22 H 1 7.339 0.003 . 2 . . . . 76 Q HE22 . 16591 1
341 . 1 1 56 56 GLN HG2 H 1 2.389 0.013 . 2 . . . . 76 Q HG1 . 16591 1
342 . 1 1 56 56 GLN HG3 H 1 2.302 0.001 . 2 . . . . 76 Q HG2 . 16591 1
343 . 1 1 56 56 GLN N N 15 123.416 0.040 . 1 . . . . 76 Q N . 16591 1
344 . 1 1 56 56 GLN NE2 N 15 111.235 0.065 . 1 . . . . 76 Q NE2 . 16591 1
345 . 1 1 57 57 ALA H H 1 8.414 0.004 . 1 . . . . 77 A H . 16591 1
346 . 1 1 57 57 ALA HA H 1 4.238 0.013 . 1 . . . . 77 A HA . 16591 1
347 . 1 1 57 57 ALA HB1 H 1 1.151 0.004 . 1 . . . . 77 A MB . 16591 1
348 . 1 1 57 57 ALA HB2 H 1 1.151 0.004 . 1 . . . . 77 A MB . 16591 1
349 . 1 1 57 57 ALA HB3 H 1 1.151 0.004 . 1 . . . . 77 A MB . 16591 1
350 . 1 1 57 57 ALA N N 15 130.460 0.088 . 1 . . . . 77 A N . 16591 1
351 . 1 1 58 58 SER H H 1 8.484 0.013 . 1 . . . . 78 S H . 16591 1
352 . 1 1 58 58 SER HA H 1 4.779 0.012 . 1 . . . . 78 S HA . 16591 1
353 . 1 1 58 58 SER HB2 H 1 4.199 0.000 . 2 . . . . 78 S HB1 . 16591 1
354 . 1 1 58 58 SER HB3 H 1 3.835 0.002 . 2 . . . . 78 S HB2 . 16591 1
355 . 1 1 58 58 SER N N 15 115.344 0.061 . 1 . . . . 78 S N . 16591 1
356 . 1 1 59 59 PRO HA H 1 4.300 0.004 . 1 . . . . 79 P HA . 16591 1
357 . 1 1 60 60 SER H H 1 7.956 0.007 . 1 . . . . 80 S H . 16591 1
358 . 1 1 60 60 SER HA H 1 4.592 0.015 . 1 . . . . 80 S HA . 16591 1
359 . 1 1 60 60 SER HB2 H 1 3.950 0.005 . 2 . . . . 80 S HB1 . 16591 1
360 . 1 1 60 60 SER HB3 H 1 3.674 0.012 . 2 . . . . 80 S HB2 . 16591 1
361 . 1 1 60 60 SER N N 15 107.547 0.028 . 1 . . . . 80 S N . 16591 1
362 . 1 1 61 61 GLU H H 1 7.474 0.006 . 1 . . . . 81 E H . 16591 1
363 . 1 1 61 61 GLU HA H 1 5.252 0.009 . 1 . . . . 81 E HA . 16591 1
364 . 1 1 61 61 GLU HB2 H 1 1.803 0.002 . 2 . . . . 81 E QB . 16591 1
365 . 1 1 61 61 GLU HB3 H 1 1.803 0.002 . 2 . . . . 81 E QB . 16591 1
366 . 1 1 61 61 GLU HG2 H 1 2.098 0.003 . 2 . . . . 81 E HG1 . 16591 1
367 . 1 1 61 61 GLU HG3 H 1 2.045 0.008 . 2 . . . . 81 E HG2 . 16591 1
368 . 1 1 61 61 GLU N N 15 122.254 0.094 . 1 . . . . 81 E N . 16591 1
369 . 1 1 62 62 SER H H 1 8.654 0.007 . 1 . . . . 82 S H . 16591 1
370 . 1 1 62 62 SER HA H 1 5.140 0.004 . 1 . . . . 82 S HA . 16591 1
371 . 1 1 62 62 SER HB2 H 1 3.730 0.013 . 2 . . . . 82 S HB1 . 16591 1
372 . 1 1 62 62 SER HB3 H 1 3.656 0.009 . 2 . . . . 82 S HB2 . 16591 1
373 . 1 1 62 62 SER N N 15 118.608 0.082 . 1 . . . . 82 S N . 16591 1
374 . 1 1 63 63 GLU H H 1 8.854 0.007 . 1 . . . . 83 E H . 16591 1
375 . 1 1 63 63 GLU HA H 1 5.333 0.005 . 1 . . . . 83 E HA . 16591 1
376 . 1 1 63 63 GLU HB2 H 1 1.708 0.007 . 2 . . . . 83 E QB . 16591 1
377 . 1 1 63 63 GLU HB3 H 1 1.708 0.007 . 2 . . . . 83 E QB . 16591 1
378 . 1 1 63 63 GLU HG2 H 1 1.833 0.004 . 2 . . . . 83 E QG . 16591 1
379 . 1 1 63 63 GLU HG3 H 1 1.833 0.004 . 2 . . . . 83 E QG . 16591 1
380 . 1 1 63 63 GLU N N 15 118.094 0.089 . 1 . . . . 83 E N . 16591 1
381 . 1 1 64 64 ALA H H 1 8.193 0.005 . 1 . . . . 84 A H . 16591 1
382 . 1 1 64 64 ALA HA H 1 4.577 0.005 . 1 . . . . 84 A HA . 16591 1
383 . 1 1 64 64 ALA HB1 H 1 0.896 0.004 . 1 . . . . 84 A MB . 16591 1
384 . 1 1 64 64 ALA HB2 H 1 0.896 0.004 . 1 . . . . 84 A MB . 16591 1
385 . 1 1 64 64 ALA HB3 H 1 0.896 0.004 . 1 . . . . 84 A MB . 16591 1
386 . 1 1 64 64 ALA N N 15 122.505 0.016 . 1 . . . . 84 A N . 16591 1
387 . 1 1 65 65 ARG H H 1 8.355 0.004 . 1 . . . . 85 R H . 16591 1
388 . 1 1 65 65 ARG HA H 1 5.160 0.005 . 1 . . . . 85 R HA . 16591 1
389 . 1 1 65 65 ARG HB2 H 1 1.389 0.013 . 2 . . . . 85 R QB . 16591 1
390 . 1 1 65 65 ARG HB3 H 1 1.389 0.013 . 2 . . . . 85 R QB . 16591 1
391 . 1 1 65 65 ARG HD2 H 1 2.927 0.000 . 2 . . . . 85 R QD . 16591 1
392 . 1 1 65 65 ARG HD3 H 1 2.927 0.000 . 2 . . . . 85 R QD . 16591 1
393 . 1 1 65 65 ARG HG2 H 1 1.271 0.004 . 2 . . . . 85 R QG . 16591 1
394 . 1 1 65 65 ARG HG3 H 1 1.271 0.004 . 2 . . . . 85 R QG . 16591 1
395 . 1 1 65 65 ARG N N 15 118.260 0.100 . 1 . . . . 85 R N . 16591 1
396 . 1 1 66 66 PHE H H 1 9.315 0.003 . 1 . . . . 86 F H . 16591 1
397 . 1 1 66 66 PHE HA H 1 4.643 0.006 . 1 . . . . 86 F HA . 16591 1
398 . 1 1 66 66 PHE HB2 H 1 3.073 0.001 . 2 . . . . 86 F QB . 16591 1
399 . 1 1 66 66 PHE HB3 H 1 3.073 0.001 . 2 . . . . 86 F QB . 16591 1
400 . 1 1 66 66 PHE HD1 H 1 7.144 0.002 . 3 . . . . 86 F QD . 16591 1
401 . 1 1 66 66 PHE HD2 H 1 7.144 0.002 . 3 . . . . 86 F QD . 16591 1
402 . 1 1 66 66 PHE N N 15 121.781 0.017 . 1 . . . . 86 F N . 16591 1
403 . 1 1 67 67 ARG H H 1 8.897 0.001 . 1 . . . . 87 R H . 16591 1
404 . 1 1 67 67 ARG HA H 1 5.002 0.005 . 1 . . . . 87 R HA . 16591 1
405 . 1 1 67 67 ARG HB2 H 1 1.776 0.000 . 2 . . . . 87 R HB1 . 16591 1
406 . 1 1 67 67 ARG HB3 H 1 1.557 0.006 . 2 . . . . 87 R HB2 . 16591 1
407 . 1 1 67 67 ARG HD2 H 1 3.019 0.013 . 2 . . . . 87 R QD . 16591 1
408 . 1 1 67 67 ARG HD3 H 1 3.019 0.013 . 2 . . . . 87 R QD . 16591 1
409 . 1 1 67 67 ARG HG2 H 1 1.457 0.003 . 2 . . . . 87 R HG1 . 16591 1
410 . 1 1 67 67 ARG HG3 H 1 1.280 0.008 . 2 . . . . 87 R HG2 . 16591 1
411 . 1 1 67 67 ARG N N 15 125.508 0.070 . 1 . . . . 87 R N . 16591 1
412 . 1 1 68 68 ILE H H 1 9.390 0.002 . 1 . . . . 88 I H . 16591 1
413 . 1 1 68 68 ILE HA H 1 4.216 0.004 . 1 . . . . 88 I HA . 16591 1
414 . 1 1 68 68 ILE HB H 1 1.843 0.003 . 1 . . . . 88 I HB . 16591 1
415 . 1 1 68 68 ILE HD11 H 1 0.769 0.008 . 1 . . . . 88 I QD1 . 16591 1
416 . 1 1 68 68 ILE HD12 H 1 0.769 0.008 . 1 . . . . 88 I QD1 . 16591 1
417 . 1 1 68 68 ILE HD13 H 1 0.769 0.008 . 1 . . . . 88 I QD1 . 16591 1
418 . 1 1 68 68 ILE HG12 H 1 1.507 0.008 . 2 . . . . 88 I QG1 . 16591 1
419 . 1 1 68 68 ILE HG13 H 1 1.507 0.008 . 2 . . . . 88 I QG1 . 16591 1
420 . 1 1 68 68 ILE HG21 H 1 1.105 0.011 . 1 . . . . 88 I QG2 . 16591 1
421 . 1 1 68 68 ILE HG22 H 1 1.105 0.011 . 1 . . . . 88 I QG2 . 16591 1
422 . 1 1 68 68 ILE HG23 H 1 1.105 0.011 . 1 . . . . 88 I QG2 . 16591 1
423 . 1 1 68 68 ILE N N 15 129.893 0.051 . 1 . . . . 88 I N . 16591 1
424 . 1 1 69 69 ASP H H 1 8.354 0.005 . 1 . . . . 89 D H . 16591 1
425 . 1 1 69 69 ASP HA H 1 4.434 0.006 . 1 . . . . 89 D HA . 16591 1
426 . 1 1 69 69 ASP HB2 H 1 2.555 0.006 . 2 . . . . 89 D HB1 . 16591 1
427 . 1 1 69 69 ASP HB3 H 1 2.464 0.004 . 2 . . . . 89 D HB2 . 16591 1
428 . 1 1 69 69 ASP N N 15 125.296 0.094 . 1 . . . . 89 D N . 16591 1
429 . 1 1 70 70 SER H H 1 7.958 0.003 . 1 . . . . 90 S H . 16591 1
430 . 1 1 70 70 SER HA H 1 4.072 0.003 . 1 . . . . 90 S HA . 16591 1
431 . 1 1 70 70 SER HB2 H 1 3.720 0.007 . 2 . . . . 90 S HB1 . 16591 1
432 . 1 1 70 70 SER HB3 H 1 3.523 0.009 . 2 . . . . 90 S HB2 . 16591 1
433 . 1 1 70 70 SER N N 15 112.071 0.025 . 1 . . . . 90 S N . 16591 1
434 . 1 1 71 71 VAL H H 1 8.911 0.003 . 1 . . . . 91 V H . 16591 1
435 . 1 1 71 71 VAL HA H 1 3.969 0.004 . 1 . . . . 91 V HA . 16591 1
436 . 1 1 71 71 VAL HB H 1 1.918 0.003 . 1 . . . . 91 V HB . 16591 1
437 . 1 1 71 71 VAL HG11 H 1 0.826 0.021 . 1 . . . . 91 V HG11 . 16591 1
438 . 1 1 71 71 VAL HG12 H 1 0.826 0.021 . 1 . . . . 91 V HG12 . 16591 1
439 . 1 1 71 71 VAL HG13 H 1 0.826 0.021 . 1 . . . . 91 V HG13 . 16591 1
440 . 1 1 71 71 VAL HG21 H 1 0.826 0.021 . 1 . . . . 91 V HG21 . 16591 1
441 . 1 1 71 71 VAL HG22 H 1 0.826 0.021 . 1 . . . . 91 V HG22 . 16591 1
442 . 1 1 71 71 VAL HG23 H 1 0.826 0.021 . 1 . . . . 91 V HG23 . 16591 1
443 . 1 1 71 71 VAL N N 15 122.968 0.091 . 1 . . . . 91 V N . 16591 1
444 . 1 1 72 72 SER H H 1 9.240 0.004 . 1 . . . . 92 S H . 16591 1
445 . 1 1 72 72 SER HA H 1 4.779 0.012 . 1 . . . . 92 S HA . 16591 1
446 . 1 1 72 72 SER HB2 H 1 4.125 0.005 . 2 . . . . 92 S HB1 . 16591 1
447 . 1 1 72 72 SER HB3 H 1 3.894 0.001 . 2 . . . . 92 S HB2 . 16591 1
448 . 1 1 72 72 SER N N 15 122.356 0.068 . 1 . . . . 92 S N . 16591 1
449 . 1 1 73 73 GLU H H 1 9.733 0.003 . 1 . . . . 93 E H . 16591 1
450 . 1 1 73 73 GLU HA H 1 3.910 0.000 . 1 . . . . 93 E HA . 16591 1
451 . 1 1 73 73 GLU HB2 H 1 2.028 0.005 . 2 . . . . 93 E QB . 16591 1
452 . 1 1 73 73 GLU HB3 H 1 2.028 0.005 . 2 . . . . 93 E QB . 16591 1
453 . 1 1 73 73 GLU HG2 H 1 2.306 0.000 . 2 . . . . 93 E QG . 16591 1
454 . 1 1 73 73 GLU HG3 H 1 2.306 0.000 . 2 . . . . 93 E QG . 16591 1
455 . 1 1 73 73 GLU N N 15 121.997 0.037 . 1 . . . . 93 E N . 16591 1
456 . 1 1 75 75 ASN H H 1 8.028 0.003 . 1 . . . . 95 N H . 16591 1
457 . 1 1 75 75 ASN HA H 1 4.640 0.005 . 1 . . . . 95 N HA . 16591 1
458 . 1 1 75 75 ASN HB2 H 1 2.861 0.006 . 2 . . . . 95 N HB1 . 16591 1
459 . 1 1 75 75 ASN HB3 H 1 2.708 0.005 . 2 . . . . 95 N HB2 . 16591 1
460 . 1 1 75 75 ASN HD21 H 1 7.917 0.004 . 2 . . . . 95 N HD21 . 16591 1
461 . 1 1 75 75 ASN HD22 H 1 7.292 0.004 . 2 . . . . 95 N HD22 . 16591 1
462 . 1 1 75 75 ASN N N 15 115.022 0.012 . 1 . . . . 95 N N . 16591 1
463 . 1 1 75 75 ASN ND2 N 15 109.305 0.103 . 1 . . . . 95 N ND2 . 16591 1
464 . 1 1 76 76 ALA H H 1 7.457 0.005 . 1 . . . . 96 A H . 16591 1
465 . 1 1 76 76 ALA HA H 1 4.177 0.008 . 1 . . . . 96 A HA . 16591 1
466 . 1 1 76 76 ALA HB1 H 1 1.600 0.005 . 1 . . . . 96 A MB . 16591 1
467 . 1 1 76 76 ALA HB2 H 1 1.600 0.005 . 1 . . . . 96 A MB . 16591 1
468 . 1 1 76 76 ALA HB3 H 1 1.600 0.005 . 1 . . . . 96 A MB . 16591 1
469 . 1 1 76 76 ALA N N 15 122.819 0.087 . 1 . . . . 96 A N . 16591 1
470 . 1 1 77 77 GLY H H 1 8.812 0.005 . 1 . . . . 97 G H . 16591 1
471 . 1 1 77 77 GLY HA2 H 1 4.841 0.003 . 2 . . . . 97 G HA1 . 16591 1
472 . 1 1 77 77 GLY HA3 H 1 3.922 0.001 . 2 . . . . 97 G HA2 . 16591 1
473 . 1 1 77 77 GLY N N 15 109.755 0.082 . 1 . . . . 97 G N . 16591 1
474 . 1 1 78 78 PRO HD2 H 1 3.612 0.000 . 2 . . . . 98 P HD1 . 16591 1
475 . 1 1 78 78 PRO HD3 H 1 3.451 0.000 . 2 . . . . 98 P HD2 . 16591 1
476 . 1 1 79 79 TYR H H 1 9.063 0.004 . 1 . . . . 99 Y H . 16591 1
477 . 1 1 79 79 TYR HA H 1 5.172 0.009 . 1 . . . . 99 Y HA . 16591 1
478 . 1 1 79 79 TYR HB2 H 1 2.345 0.006 . 2 . . . . 99 Y HB1 . 16591 1
479 . 1 1 79 79 TYR HB3 H 1 2.123 0.006 . 2 . . . . 99 Y HB2 . 16591 1
480 . 1 1 79 79 TYR N N 15 122.497 0.023 . 1 . . . . 99 Y N . 16591 1
481 . 1 1 80 80 ARG H H 1 8.641 0.004 . 1 . . . . 100 R H . 16591 1
482 . 1 1 80 80 ARG HA H 1 4.555 0.008 . 1 . . . . 100 R HA . 16591 1
483 . 1 1 80 80 ARG HB2 H 1 1.530 0.006 . 2 . . . . 100 R QB . 16591 1
484 . 1 1 80 80 ARG HB3 H 1 1.530 0.006 . 2 . . . . 100 R QB . 16591 1
485 . 1 1 80 80 ARG HG2 H 1 1.369 0.008 . 2 . . . . 100 R HG1 . 16591 1
486 . 1 1 80 80 ARG HG3 H 1 1.219 0.009 . 2 . . . . 100 R HG2 . 16591 1
487 . 1 1 80 80 ARG N N 15 114.598 0.029 . 1 . . . . 100 R N . 16591 1
488 . 1 1 81 81 CYS H H 1 8.828 0.005 . 1 . . . . 101 C H . 16591 1
489 . 1 1 81 81 CYS HA H 1 5.983 0.004 . 1 . . . . 101 C HA . 16591 1
490 . 1 1 81 81 CYS HB2 H 1 3.175 0.002 . 2 . . . . 101 C HB1 . 16591 1
491 . 1 1 81 81 CYS HB3 H 1 2.925 0.003 . 2 . . . . 101 C HB2 . 16591 1
492 . 1 1 81 81 CYS N N 15 117.450 0.064 . 1 . . . . 101 C N . 16591 1
493 . 1 1 82 82 ILE H H 1 9.421 0.005 . 1 . . . . 102 I H . 16591 1
494 . 1 1 82 82 ILE HA H 1 4.295 0.004 . 1 . . . . 102 I HA . 16591 1
495 . 1 1 82 82 ILE HB H 1 1.709 0.004 . 1 . . . . 102 I HB . 16591 1
496 . 1 1 82 82 ILE HD11 H 1 0.547 0.007 . 1 . . . . 102 I QD1 . 16591 1
497 . 1 1 82 82 ILE HD12 H 1 0.547 0.007 . 1 . . . . 102 I QD1 . 16591 1
498 . 1 1 82 82 ILE HD13 H 1 0.547 0.007 . 1 . . . . 102 I QD1 . 16591 1
499 . 1 1 82 82 ILE HG12 H 1 1.405 0.012 . 2 . . . . 102 I QG1 . 16591 1
500 . 1 1 82 82 ILE HG13 H 1 1.405 0.012 . 2 . . . . 102 I QG1 . 16591 1
501 . 1 1 82 82 ILE HG21 H 1 0.926 0.000 . 1 . . . . 102 I QG2 . 16591 1
502 . 1 1 82 82 ILE HG22 H 1 0.926 0.000 . 1 . . . . 102 I QG2 . 16591 1
503 . 1 1 82 82 ILE HG23 H 1 0.926 0.000 . 1 . . . . 102 I QG2 . 16591 1
504 . 1 1 82 82 ILE N N 15 119.211 0.043 . 1 . . . . 102 I N . 16591 1
505 . 1 1 83 83 TYR H H 1 8.574 0.007 . 1 . . . . 103 Y H . 16591 1
506 . 1 1 83 83 TYR HA H 1 5.605 0.008 . 1 . . . . 103 Y HA . 16591 1
507 . 1 1 83 83 TYR HB2 H 1 2.540 0.007 . 2 . . . . 103 Y HB1 . 16591 1
508 . 1 1 83 83 TYR HB3 H 1 2.137 0.002 . 2 . . . . 103 Y HB2 . 16591 1
509 . 1 1 83 83 TYR N N 15 119.588 0.050 . 1 . . . . 103 Y N . 16591 1
510 . 1 1 84 84 TYR H H 1 8.636 0.005 . 1 . . . . 104 Y H . 16591 1
511 . 1 1 84 84 TYR HA H 1 4.266 0.011 . 1 . . . . 104 Y HA . 16591 1
512 . 1 1 84 84 TYR HB2 H 1 3.741 0.009 . 2 . . . . 104 Y QB . 16591 1
513 . 1 1 84 84 TYR HB3 H 1 3.741 0.009 . 2 . . . . 104 Y QB . 16591 1
514 . 1 1 84 84 TYR N N 15 120.646 0.081 . 1 . . . . 104 Y N . 16591 1
515 . 1 1 85 85 LYS H H 1 8.104 0.005 . 1 . . . . 105 K H . 16591 1
516 . 1 1 85 85 LYS HA H 1 4.476 0.005 . 1 . . . . 105 K HA . 16591 1
517 . 1 1 85 85 LYS HB2 H 1 1.889 0.006 . 2 . . . . 105 K QB . 16591 1
518 . 1 1 85 85 LYS HB3 H 1 1.889 0.006 . 2 . . . . 105 K QB . 16591 1
519 . 1 1 85 85 LYS HD2 H 1 1.296 0.000 . 2 . . . . 105 K QD . 16591 1
520 . 1 1 85 85 LYS HD3 H 1 1.296 0.000 . 2 . . . . 105 K QD . 16591 1
521 . 1 1 85 85 LYS HE2 H 1 2.881 0.000 . 2 . . . . 105 K QE . 16591 1
522 . 1 1 85 85 LYS HE3 H 1 2.881 0.000 . 2 . . . . 105 K QE . 16591 1
523 . 1 1 85 85 LYS HG2 H 1 1.141 0.007 . 2 . . . . 105 K QG . 16591 1
524 . 1 1 85 85 LYS HG3 H 1 1.141 0.007 . 2 . . . . 105 K QG . 16591 1
525 . 1 1 85 85 LYS N N 15 132.321 0.072 . 1 . . . . 105 K N . 16591 1
526 . 1 1 88 88 LYS H H 1 8.343 0.004 . 1 . . . . 108 K H . 16591 1
527 . 1 1 88 88 LYS HA H 1 4.822 0.003 . 1 . . . . 108 K HA . 16591 1
528 . 1 1 88 88 LYS HB2 H 1 1.728 0.005 . 2 . . . . 108 K QB . 16591 1
529 . 1 1 88 88 LYS HB3 H 1 1.728 0.005 . 2 . . . . 108 K QB . 16591 1
530 . 1 1 88 88 LYS HD2 H 1 1.641 0.004 . 2 . . . . 108 K QD . 16591 1
531 . 1 1 88 88 LYS HD3 H 1 1.641 0.004 . 2 . . . . 108 K QD . 16591 1
532 . 1 1 88 88 LYS HE2 H 1 2.960 0.005 . 2 . . . . 108 K QE . 16591 1
533 . 1 1 88 88 LYS HE3 H 1 2.960 0.005 . 2 . . . . 108 K QE . 16591 1
534 . 1 1 88 88 LYS HG2 H 1 1.288 0.003 . 2 . . . . 108 K QG . 16591 1
535 . 1 1 88 88 LYS HG3 H 1 1.288 0.003 . 2 . . . . 108 K QG . 16591 1
536 . 1 1 88 88 LYS N N 15 125.929 0.062 . 1 . . . . 108 K N . 16591 1
537 . 1 1 89 89 TRP H H 1 8.296 0.002 . 1 . . . . 109 W H . 16591 1
538 . 1 1 89 89 TRP HA H 1 5.081 0.006 . 1 . . . . 109 W HA . 16591 1
539 . 1 1 89 89 TRP HB2 H 1 3.159 0.003 . 2 . . . . 109 W HB1 . 16591 1
540 . 1 1 89 89 TRP HB3 H 1 2.920 0.006 . 2 . . . . 109 W HB2 . 16591 1
541 . 1 1 89 89 TRP HE1 H 1 9.735 0.002 . 1 . . . . 109 W HE1 . 16591 1
542 . 1 1 89 89 TRP N N 15 119.817 0.080 . 1 . . . . 109 W N . 16591 1
543 . 1 1 89 89 TRP NE1 N 15 130.195 0.010 . 1 . . . . 109 W NE1 . 16591 1
544 . 1 1 90 90 SER H H 1 9.187 0.003 . 1 . . . . 110 S H . 16591 1
545 . 1 1 90 90 SER HA H 1 3.965 0.005 . 1 . . . . 110 S HA . 16591 1
546 . 1 1 90 90 SER HB2 H 1 3.707 0.006 . 2 . . . . 110 S QB . 16591 1
547 . 1 1 90 90 SER HB3 H 1 3.707 0.006 . 2 . . . . 110 S QB . 16591 1
548 . 1 1 90 90 SER N N 15 118.723 0.015 . 1 . . . . 110 S N . 16591 1
549 . 1 1 91 91 GLU H H 1 8.233 0.005 . 1 . . . . 111 E H . 16591 1
550 . 1 1 91 91 GLU HA H 1 4.315 0.005 . 1 . . . . 111 E HA . 16591 1
551 . 1 1 91 91 GLU HB2 H 1 2.107 0.003 . 2 . . . . 111 E HB1 . 16591 1
552 . 1 1 91 91 GLU HB3 H 1 1.930 0.001 . 2 . . . . 111 E HB2 . 16591 1
553 . 1 1 91 91 GLU HG2 H 1 2.379 0.004 . 2 . . . . 111 E QG . 16591 1
554 . 1 1 91 91 GLU HG3 H 1 2.379 0.004 . 2 . . . . 111 E QG . 16591 1
555 . 1 1 91 91 GLU N N 15 115.422 0.022 . 1 . . . . 111 E N . 16591 1
556 . 1 1 92 92 GLN H H 1 8.599 0.005 . 1 . . . . 112 Q H . 16591 1
557 . 1 1 92 92 GLN HA H 1 4.508 0.004 . 1 . . . . 112 Q HA . 16591 1
558 . 1 1 92 92 GLN HB2 H 1 1.904 0.004 . 2 . . . . 112 Q QB . 16591 1
559 . 1 1 92 92 GLN HB3 H 1 1.904 0.004 . 2 . . . . 112 Q QB . 16591 1
560 . 1 1 92 92 GLN HE21 H 1 8.258 0.002 . 2 . . . . 112 Q HE21 . 16591 1
561 . 1 1 92 92 GLN HE22 H 1 6.683 0.003 . 2 . . . . 112 Q HE22 . 16591 1
562 . 1 1 92 92 GLN HG2 H 1 2.227 0.010 . 2 . . . . 112 Q QG . 16591 1
563 . 1 1 92 92 GLN HG3 H 1 2.227 0.010 . 2 . . . . 112 Q QG . 16591 1
564 . 1 1 92 92 GLN N N 15 119.551 0.036 . 1 . . . . 112 Q N . 16591 1
565 . 1 1 92 92 GLN NE2 N 15 113.766 0.068 . 1 . . . . 112 Q NE2 . 16591 1
566 . 1 1 93 93 SER H H 1 8.892 0.005 . 1 . . . . 113 S H . 16591 1
567 . 1 1 93 93 SER HA H 1 4.383 0.006 . 1 . . . . 113 S HA . 16591 1
568 . 1 1 93 93 SER N N 15 114.642 0.017 . 1 . . . . 113 S N . 16591 1
569 . 1 1 94 94 ASP H H 1 8.688 0.005 . 1 . . . . 114 D H . 16591 1
570 . 1 1 94 94 ASP HA H 1 4.515 0.005 . 1 . . . . 114 D HA . 16591 1
571 . 1 1 94 94 ASP HB2 H 1 2.829 0.003 . 2 . . . . 114 D HB1 . 16591 1
572 . 1 1 94 94 ASP HB3 H 1 2.527 0.004 . 2 . . . . 114 D HB2 . 16591 1
573 . 1 1 94 94 ASP N N 15 118.855 0.049 . 1 . . . . 114 D N . 16591 1
574 . 1 1 95 95 TYR H H 1 8.300 0.002 . 1 . . . . 115 Y H . 16591 1
575 . 1 1 95 95 TYR HA H 1 5.076 0.004 . 1 . . . . 115 Y HA . 16591 1
576 . 1 1 95 95 TYR HB2 H 1 2.809 0.007 . 2 . . . . 115 Y HB1 . 16591 1
577 . 1 1 95 95 TYR HB3 H 1 2.721 0.003 . 2 . . . . 115 Y HB2 . 16591 1
578 . 1 1 95 95 TYR HD1 H 1 6.927 0.002 . 3 . . . . 115 Y QD . 16591 1
579 . 1 1 95 95 TYR HD2 H 1 6.927 0.002 . 3 . . . . 115 Y QD . 16591 1
580 . 1 1 95 95 TYR N N 15 117.854 0.036 . 1 . . . . 115 Y N . 16591 1
581 . 1 1 96 96 LEU H H 1 9.237 0.003 . 1 . . . . 116 L H . 16591 1
582 . 1 1 96 96 LEU HA H 1 4.662 0.002 . 1 . . . . 116 L HA . 16591 1
583 . 1 1 96 96 LEU HB2 H 1 1.690 0.007 . 2 . . . . 116 L QB . 16591 1
584 . 1 1 96 96 LEU HB3 H 1 1.690 0.007 . 2 . . . . 116 L QB . 16591 1
585 . 1 1 96 96 LEU HD11 H 1 0.939 0.014 . 2 . . . . 116 L MD1 . 16591 1
586 . 1 1 96 96 LEU HD12 H 1 0.939 0.014 . 2 . . . . 116 L MD1 . 16591 1
587 . 1 1 96 96 LEU HD13 H 1 0.939 0.014 . 2 . . . . 116 L MD1 . 16591 1
588 . 1 1 96 96 LEU HD21 H 1 0.855 0.000 . 2 . . . . 116 L MD2 . 16591 1
589 . 1 1 96 96 LEU HD22 H 1 0.855 0.000 . 2 . . . . 116 L MD2 . 16591 1
590 . 1 1 96 96 LEU HD23 H 1 0.855 0.000 . 2 . . . . 116 L MD2 . 16591 1
591 . 1 1 96 96 LEU HG H 1 1.580 0.009 . 1 . . . . 116 L HG . 16591 1
592 . 1 1 96 96 LEU N N 15 123.048 0.080 . 1 . . . . 116 L N . 16591 1
593 . 1 1 97 97 GLU H H 1 8.809 0.005 . 1 . . . . 117 E H . 16591 1
594 . 1 1 97 97 GLU HA H 1 4.680 0.003 . 1 . . . . 117 E HA . 16591 1
595 . 1 1 97 97 GLU HB2 H 1 1.816 0.010 . 2 . . . . 117 E QB . 16591 1
596 . 1 1 97 97 GLU HB3 H 1 1.816 0.010 . 2 . . . . 117 E QB . 16591 1
597 . 1 1 97 97 GLU HG2 H 1 1.924 0.008 . 2 . . . . 117 E QG . 16591 1
598 . 1 1 97 97 GLU HG3 H 1 1.924 0.008 . 2 . . . . 117 E QG . 16591 1
599 . 1 1 97 97 GLU N N 15 125.762 0.050 . 1 . . . . 117 E N . 16591 1
600 . 1 1 98 98 LEU H H 1 8.860 0.003 . 1 . . . . 118 L H . 16591 1
601 . 1 1 98 98 LEU HA H 1 4.833 0.004 . 1 . . . . 118 L HA . 16591 1
602 . 1 1 98 98 LEU HB2 H 1 2.467 0.009 . 2 . . . . 118 L QB . 16591 1
603 . 1 1 98 98 LEU HB3 H 1 2.467 0.009 . 2 . . . . 118 L QB . 16591 1
604 . 1 1 98 98 LEU HD11 H 1 1.499 0.003 . 2 . . . . 118 L QD1 . 16591 1
605 . 1 1 98 98 LEU HD12 H 1 1.499 0.003 . 2 . . . . 118 L QD1 . 16591 1
606 . 1 1 98 98 LEU HD13 H 1 1.499 0.003 . 2 . . . . 118 L QD1 . 16591 1
607 . 1 1 98 98 LEU HD21 H 1 1.410 0.006 . 2 . . . . 118 L QD2 . 16591 1
608 . 1 1 98 98 LEU HD22 H 1 1.410 0.006 . 2 . . . . 118 L QD2 . 16591 1
609 . 1 1 98 98 LEU HD23 H 1 1.410 0.006 . 2 . . . . 118 L QD2 . 16591 1
610 . 1 1 98 98 LEU N N 15 128.756 0.064 . 1 . . . . 118 L N . 16591 1
611 . 1 1 99 99 LEU H H 1 9.309 0.004 . 1 . . . . 119 L H . 16591 1
612 . 1 1 99 99 LEU HA H 1 4.719 0.010 . 1 . . . . 119 L HA . 16591 1
613 . 1 1 99 99 LEU HB2 H 1 1.720 0.011 . 2 . . . . 119 L HB1 . 16591 1
614 . 1 1 99 99 LEU HB3 H 1 1.510 0.005 . 2 . . . . 119 L HB2 . 16591 1
615 . 1 1 99 99 LEU HG H 1 1.583 0.008 . 1 . . . . 119 L HG . 16591 1
616 . 1 1 99 99 LEU HD11 H 1 0.854 0.014 . 1 . . . . 119 L HD11 . 16591 1
617 . 1 1 99 99 LEU HD12 H 1 0.854 0.014 . 1 . . . . 119 L HD12 . 16591 1
618 . 1 1 99 99 LEU HD13 H 1 0.854 0.014 . 1 . . . . 119 L HD13 . 16591 1
619 . 1 1 99 99 LEU HD21 H 1 0.854 0.014 . 1 . . . . 119 L HD21 . 16591 1
620 . 1 1 99 99 LEU HD22 H 1 0.854 0.014 . 1 . . . . 119 L HD22 . 16591 1
621 . 1 1 99 99 LEU HD23 H 1 0.854 0.014 . 1 . . . . 119 L HD23 . 16591 1
622 . 1 1 99 99 LEU N N 15 131.230 0.071 . 1 . . . . 119 L N . 16591 1
623 . 1 1 100 100 VAL H H 1 8.099 0.004 . 1 . . . . 120 V H . 16591 1
624 . 1 1 100 100 VAL HA H 1 4.913 0.005 . 1 . . . . 120 V HA . 16591 1
625 . 1 1 100 100 VAL HB H 1 1.827 0.005 . 1 . . . . 120 V HB . 16591 1
626 . 1 1 100 100 VAL HG11 H 1 0.687 0.005 . 1 . . . . 120 V HG11 . 16591 1
627 . 1 1 100 100 VAL HG12 H 1 0.687 0.005 . 1 . . . . 120 V HG12 . 16591 1
628 . 1 1 100 100 VAL HG13 H 1 0.687 0.005 . 1 . . . . 120 V HG13 . 16591 1
629 . 1 1 100 100 VAL HG21 H 1 0.687 0.005 . 1 . . . . 120 V HG21 . 16591 1
630 . 1 1 100 100 VAL HG22 H 1 0.687 0.005 . 1 . . . . 120 V HG22 . 16591 1
631 . 1 1 100 100 VAL HG23 H 1 0.687 0.005 . 1 . . . . 120 V HG23 . 16591 1
632 . 1 1 100 100 VAL N N 15 120.822 0.106 . 1 . . . . 120 V N . 16591 1
633 . 1 1 101 101 LYS H H 1 8.059 0.004 . 1 . . . . 121 K H . 16591 1
634 . 1 1 101 101 LYS HA H 1 4.445 0.013 . 1 . . . . 121 K HA . 16591 1
635 . 1 1 101 101 LYS HB2 H 1 1.585 0.007 . 2 . . . . 121 K HB1 . 16591 1
636 . 1 1 101 101 LYS HB3 H 1 1.484 0.004 . 2 . . . . 121 K HB2 . 16591 1
637 . 1 1 101 101 LYS HG2 H 1 1.215 0.008 . 2 . . . . 121 K HG1 . 16591 1
638 . 1 1 101 101 LYS HG3 H 1 1.122 0.004 . 2 . . . . 121 K HG2 . 16591 1
639 . 1 1 101 101 LYS N N 15 126.394 0.048 . 1 . . . . 121 K N . 16591 1
640 . 1 1 102 102 GLU H H 1 8.659 0.005 . 1 . . . . 122 E H . 16591 1
641 . 1 1 102 102 GLU HA H 1 4.125 0.003 . 1 . . . . 122 E HA . 16591 1
642 . 1 1 102 102 GLU HB2 H 1 2.028 0.002 . 2 . . . . 122 E HB1 . 16591 1
643 . 1 1 102 102 GLU HB3 H 1 1.924 0.003 . 2 . . . . 122 E HB2 . 16591 1
644 . 1 1 102 102 GLU HG2 H 1 2.264 0.008 . 2 . . . . 122 E QG . 16591 1
645 . 1 1 102 102 GLU HG3 H 1 2.264 0.008 . 2 . . . . 122 E QG . 16591 1
646 . 1 1 102 102 GLU N N 15 122.444 0.057 . 1 . . . . 122 E N . 16591 1
647 . 1 1 103 103 ALA H H 1 8.379 0.006 . 1 . . . . 123 A H . 16591 1
648 . 1 1 103 103 ALA HA H 1 4.249 0.009 . 1 . . . . 123 A HA . 16591 1
649 . 1 1 103 103 ALA HB1 H 1 1.366 0.004 . 1 . . . . 123 A MB . 16591 1
650 . 1 1 103 103 ALA HB2 H 1 1.366 0.004 . 1 . . . . 123 A MB . 16591 1
651 . 1 1 103 103 ALA HB3 H 1 1.366 0.004 . 1 . . . . 123 A MB . 16591 1
652 . 1 1 103 103 ALA N N 15 124.587 0.040 . 1 . . . . 123 A N . 16591 1
653 . 1 1 104 104 ALA H H 1 8.251 0.003 . 1 . . . . 124 A H . 16591 1
654 . 1 1 104 104 ALA HA H 1 4.252 0.005 . 1 . . . . 124 A HA . 16591 1
655 . 1 1 104 104 ALA HB1 H 1 1.344 0.003 . 1 . . . . 124 A MB . 16591 1
656 . 1 1 104 104 ALA HB2 H 1 1.344 0.003 . 1 . . . . 124 A MB . 16591 1
657 . 1 1 104 104 ALA HB3 H 1 1.344 0.003 . 1 . . . . 124 A MB . 16591 1
658 . 1 1 104 104 ALA N N 15 123.940 0.018 . 1 . . . . 124 A N . 16591 1
659 . 1 1 105 105 ALA H H 1 7.829 0.002 . 1 . . . . 125 A H . 16591 1
660 . 1 1 105 105 ALA HA H 1 4.050 0.018 . 1 . . . . 125 A HA . 16591 1
661 . 1 1 105 105 ALA HB1 H 1 1.291 0.007 . 1 . . . . 125 A MB . 16591 1
662 . 1 1 105 105 ALA HB2 H 1 1.291 0.007 . 1 . . . . 125 A MB . 16591 1
663 . 1 1 105 105 ALA HB3 H 1 1.291 0.007 . 1 . . . . 125 A MB . 16591 1
664 . 1 1 105 105 ALA N N 15 129.247 0.010 . 1 . . . . 125 A N . 16591 1
stop_
save_