Content for NMR-STAR saveframe, "assigned_chem_shift_list"
save_assigned_chem_shift_list
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list
_Assigned_chem_shift_list.Entry_ID 18955
_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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/3zj1/ebi/Nab2_Z12_CS_curated4_1.dat.csh'
_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 '1H-15N HSQC' 1 $sample_1 solution 18955 1
2 '1H-13C HSQC' 1 $sample_1 solution 18955 1
3 HNCO 1 $sample_1 solution 18955 1
4 HNCA 1 $sample_1 solution 18955 1
5 CBCA(CO)HN 1 $sample_1 solution 18955 1
6 H(C)CH-TOCSY 1 $sample_1 solution 18955 1
7 '15N HSQC-NOESY' 1 $sample_1 solution 18955 1
8 'NOESY and TOCSY' 1 $sample_1 solution 18955 1
9 NOESY 2 $sample_2 solution 18955 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 1 1 GLY HA2 H 1 3.847 . . 1 . 2 . . 1 GLY HA2 . 18955 1
2 . 1 1 1 1 GLY CA C 13 43.348 . . 1 . 1 . . 1 GLY CA . 18955 1
3 . 1 1 2 2 SER HA H 1 4.491 . . 1 . 6 . . 2 SER HA . 18955 1
4 . 1 1 2 2 SER HB2 H 1 3.797 . . 1 . 7 . . 2 SER HB2 . 18955 1
5 . 1 1 2 2 SER C C 13 174.173 . . 1 . 3 . . 2 SER C . 18955 1
6 . 1 1 2 2 SER CA C 13 58.166 0.039 . 1 . 4 . . 2 SER CA . 18955 1
7 . 1 1 2 2 SER CB C 13 63.921 0.009 . 1 . 5 . . 2 SER CB . 18955 1
8 . 1 1 3 3 PHE H H 1 8.437 0.005 . 1 . 11 . . 3 PHE H . 18955 1
9 . 1 1 3 3 PHE HA H 1 4.727 . . 1 . 12 . . 3 PHE HA . 18955 1
10 . 1 1 3 3 PHE HB2 H 1 3.090 0.003 . 1 . 13 . . 3 PHE HB2 . 18955 1
11 . 1 1 3 3 PHE C C 13 175.529 . . 1 . 8 . . 3 PHE C . 18955 1
12 . 1 1 3 3 PHE CA C 13 57.598 0.012 . 1 . 9 . . 3 PHE CA . 18955 1
13 . 1 1 3 3 PHE CB C 13 39.749 0.032 . 1 . 10 . . 3 PHE CB . 18955 1
14 . 1 1 3 3 PHE N N 15 121.587 0.019 . 1 . 14 . . 3 PHE N . 18955 1
15 . 1 1 4 4 THR H H 1 8.150 0.005 . 1 . 18 . . 4 THR H . 18955 1
16 . 1 1 4 4 THR HA H 1 4.541 0.003 . 1 . 19 . . 4 THR HA . 18955 1
17 . 1 1 4 4 THR HB H 1 4.032 . . 1 . 20 . . 4 THR HB . 18955 1
18 . 1 1 4 4 THR HG21 H 1 1.192 0.004 . 1 . 21 . . 4 THR HG21 . 18955 1
19 . 1 1 4 4 THR HG22 H 1 1.192 0.004 . 1 . 21 . . 4 THR HG22 . 18955 1
20 . 1 1 4 4 THR HG23 H 1 1.192 0.004 . 1 . 21 . . 4 THR HG23 . 18955 1
21 . 1 1 4 4 THR CA C 13 59.209 0.023 . 1 . 15 . . 4 THR CA . 18955 1
22 . 1 1 4 4 THR CB C 13 69.885 . . 1 . 16 . . 4 THR CB . 18955 1
23 . 1 1 4 4 THR CG2 C 13 21.211 . . 1 . 17 . . 4 THR CG2 . 18955 1
24 . 1 1 4 4 THR N N 15 119.566 0.017 . 1 . 22 . . 4 THR N . 18955 1
25 . 1 1 5 5 PRO HA H 1 4.429 0.003 . 1 . 27 . . 5 PRO HA . 18955 1
26 . 1 1 5 5 PRO HB2 H 1 2.341 0.004 . 2 . 28 . . 5 PRO HB2 . 18955 1
27 . 1 1 5 5 PRO HB3 H 1 1.940 0.005 . 2 . 29 . . 5 PRO HB3 . 18955 1
28 . 1 1 5 5 PRO HG2 H 1 2.016 0.003 . 1 . 31 . . 5 PRO HG2 . 18955 1
29 . 1 1 5 5 PRO HD2 H 1 3.691 0.003 . 1 . 30 . . 5 PRO HD2 . 18955 1
30 . 1 1 5 5 PRO C C 13 177.112 . . 1 . 23 . . 5 PRO C . 18955 1
31 . 1 1 5 5 PRO CA C 13 62.985 . . 1 . 24 . . 5 PRO CA . 18955 1
32 . 1 1 5 5 PRO CB C 13 32.069 . . 1 . 25 . . 5 PRO CB . 18955 1
33 . 1 1 5 5 PRO CD C 13 51.003 . . 1 . 26 . . 5 PRO CD . 18955 1
34 . 1 1 6 6 THR H H 1 8.269 0.005 . 1 . 36 . . 6 THR H . 18955 1
35 . 1 1 6 6 THR HA H 1 4.245 0.003 . 1 . 37 . . 6 THR HA . 18955 1
36 . 1 1 6 6 THR HB H 1 4.158 0.004 . 1 . 38 . . 6 THR HB . 18955 1
37 . 1 1 6 6 THR HG21 H 1 1.221 0.002 . 1 . 39 . . 6 THR HG21 . 18955 1
38 . 1 1 6 6 THR HG22 H 1 1.221 0.002 . 1 . 39 . . 6 THR HG22 . 18955 1
39 . 1 1 6 6 THR HG23 H 1 1.221 0.002 . 1 . 39 . . 6 THR HG23 . 18955 1
40 . 1 1 6 6 THR C C 13 174.573 . . 1 . 32 . . 6 THR C . 18955 1
41 . 1 1 6 6 THR CA C 13 61.986 0.029 . 1 . 33 . . 6 THR CA . 18955 1
42 . 1 1 6 6 THR CB C 13 69.778 0.064 . 1 . 34 . . 6 THR CB . 18955 1
43 . 1 1 6 6 THR CG2 C 13 21.772 . . 1 . 35 . . 6 THR CG2 . 18955 1
44 . 1 1 6 6 THR N N 15 114.314 . . 1 . 40 . . 6 THR N . 18955 1
45 . 1 1 7 7 LYS H H 1 8.295 0.004 . 1 . 46 . . 7 LYS H . 18955 1
46 . 1 1 7 7 LYS HA H 1 4.353 0.002 . 1 . 47 . . 7 LYS HA . 18955 1
47 . 1 1 7 7 LYS HB2 H 1 1.805 0.003 . 2 . 48 . . 7 LYS HB2 . 18955 1
48 . 1 1 7 7 LYS HB3 H 1 1.748 0.002 . 2 . 49 . . 7 LYS HB3 . 18955 1
49 . 1 1 7 7 LYS HG2 H 1 1.384 0.002 . 1 . 52 . . 7 LYS HG2 . 18955 1
50 . 1 1 7 7 LYS HD2 H 1 1.659 0.001 . 1 . 50 . . 7 LYS HD2 . 18955 1
51 . 1 1 7 7 LYS HE2 H 1 2.970 0.001 . 1 . 51 . . 7 LYS HE2 . 18955 1
52 . 1 1 7 7 LYS C C 13 176.327 . . 1 . 41 . . 7 LYS C . 18955 1
53 . 1 1 7 7 LYS CA C 13 56.089 0.019 . 1 . 42 . . 7 LYS CA . 18955 1
54 . 1 1 7 7 LYS CB C 13 33.190 0.006 . 1 . 43 . . 7 LYS CB . 18955 1
55 . 1 1 7 7 LYS CG C 13 24.687 0.002 . 1 . 45 . . 7 LYS CG . 18955 1
56 . 1 1 7 7 LYS CE C 13 41.880 . . 1 . 44 . . 7 LYS CE . 18955 1
57 . 1 1 7 7 LYS N N 15 123.364 0.02 . 1 . 53 . . 7 LYS N . 18955 1
58 . 1 1 8 8 LYS H H 1 8.427 0.004 . 1 . 60 . . 8 LYS H . 18955 1
59 . 1 1 8 8 LYS HA H 1 4.364 0.003 . 1 . 61 . . 8 LYS HA . 18955 1
60 . 1 1 8 8 LYS HB2 H 1 1.563 0.004 . 2 . 62 . . 8 LYS HB2 . 18955 1
61 . 1 1 8 8 LYS HB3 H 1 1.487 . . 2 . 63 . . 8 LYS HB3 . 18955 1
62 . 1 1 8 8 LYS HG2 H 1 1.314 0.01 . 1 . 67 . . 8 LYS HG2 . 18955 1
63 . 1 1 8 8 LYS HD2 H 1 1.510 . . 2 . 64 . . 8 LYS HD2 . 18955 1
64 . 1 1 8 8 LYS HD3 H 1 1.453 . . 2 . 65 . . 8 LYS HD3 . 18955 1
65 . 1 1 8 8 LYS HE2 H 1 2.914 0.002 . 1 . 66 . . 8 LYS HE2 . 18955 1
66 . 1 1 8 8 LYS C C 13 176.079 . . 1 . 54 . . 8 LYS C . 18955 1
67 . 1 1 8 8 LYS CA C 13 55.363 0.006 . 1 . 55 . . 8 LYS CA . 18955 1
68 . 1 1 8 8 LYS CB C 13 33.215 0.06 . 1 . 56 . . 8 LYS CB . 18955 1
69 . 1 1 8 8 LYS CG C 13 24.725 0.033 . 1 . 59 . . 8 LYS CG . 18955 1
70 . 1 1 8 8 LYS CD C 13 28.662 0.001 . 1 . 57 . . 8 LYS CD . 18955 1
71 . 1 1 8 8 LYS CE C 13 42.133 . . 1 . 58 . . 8 LYS CE . 18955 1
72 . 1 1 8 8 LYS N N 15 122.728 0.036 . 1 . 68 . . 8 LYS N . 18955 1
73 . 1 1 9 9 GLU H H 1 8.365 0.007 . 1 . 72 . . 9 GLU H . 18955 1
74 . 1 1 9 9 GLU HA H 1 4.456 0.004 . 1 . 73 . . 9 GLU HA . 18955 1
75 . 1 1 9 9 GLU HB2 H 1 2.058 0.006 . 2 . 74 . . 9 GLU HB2 . 18955 1
76 . 1 1 9 9 GLU HB3 H 1 1.918 0.003 . 2 . 75 . . 9 GLU HB3 . 18955 1
77 . 1 1 9 9 GLU HG2 H 1 2.237 0.003 . 1 . 76 . . 9 GLU HG2 . 18955 1
78 . 1 1 9 9 GLU C C 13 177.012 . . 1 . 69 . . 9 GLU C . 18955 1
79 . 1 1 9 9 GLU CA C 13 56.203 0.06 . 1 . 70 . . 9 GLU CA . 18955 1
80 . 1 1 9 9 GLU CB C 13 31.074 . . 1 . 71 . . 9 GLU CB . 18955 1
81 . 1 1 9 9 GLU N N 15 120.955 0.015 . 1 . 77 . . 9 GLU N . 18955 1
82 . 1 1 10 10 GLY H H 1 9.009 0.001 . 1 . 80 . . 10 GLY H . 18955 1
83 . 1 1 10 10 GLY HA2 H 1 4.271 0.005 . 2 . 81 . . 10 GLY HA2 . 18955 1
84 . 1 1 10 10 GLY HA3 H 1 3.901 0.004 . 2 . 82 . . 10 GLY HA3 . 18955 1
85 . 1 1 10 10 GLY C C 13 173.377 . . 1 . 78 . . 10 GLY C . 18955 1
86 . 1 1 10 10 GLY CA C 13 44.288 0.032 . 1 . 79 . . 10 GLY CA . 18955 1
87 . 1 1 10 10 GLY N N 15 110.821 0.02 . 1 . 83 . . 10 GLY N . 18955 1
88 . 1 1 11 11 ARG H H 1 8.171 0.004 . 1 . 89 . . 11 ARG H . 18955 1
89 . 1 1 11 11 ARG HA H 1 4.089 0.007 . 1 . 90 . . 11 ARG HA . 18955 1
90 . 1 1 11 11 ARG HB2 H 1 1.576 0.003 . 1 . 91 . . 11 ARG HB2 . 18955 1
91 . 1 1 11 11 ARG HG2 H 1 1.147 0.006 . 2 . 94 . . 11 ARG HG2 . 18955 1
92 . 1 1 11 11 ARG HG3 H 1 1.185 0.005 . 2 . 95 . . 11 ARG HG3 . 18955 1
93 . 1 1 11 11 ARG HD2 H 1 2.918 0.005 . 1 . 92 . . 11 ARG HD2 . 18955 1
94 . 1 1 11 11 ARG HE H 1 7.850 0.003 . 1 . 93 . . 11 ARG HE . 18955 1
95 . 1 1 11 11 ARG C C 13 175.994 . . 1 . 84 . . 11 ARG C . 18955 1
96 . 1 1 11 11 ARG CA C 13 56.492 0.051 . 1 . 85 . . 11 ARG CA . 18955 1
97 . 1 1 11 11 ARG CB C 13 31.450 0.027 . 1 . 86 . . 11 ARG CB . 18955 1
98 . 1 1 11 11 ARG CG C 13 26.290 0.031 . 1 . 88 . . 11 ARG CG . 18955 1
99 . 1 1 11 11 ARG CD C 13 43.796 0.015 . 1 . 87 . . 11 ARG CD . 18955 1
100 . 1 1 11 11 ARG N N 15 120.043 0.009 . 1 . 96 . . 11 ARG N . 18955 1
101 . 1 1 11 11 ARG NE N 15 81.039 . . 1 . 97 . . 11 ARG NE . 18955 1
102 . 1 1 12 12 CYS H H 1 9.030 0.003 . 1 . 101 . . 12 CYS H . 18955 1
103 . 1 1 12 12 CYS HA H 1 3.889 0.005 . 1 . 102 . . 12 CYS HA . 18955 1
104 . 1 1 12 12 CYS HB2 H 1 3.097 0.002 . 2 . 103 . . 12 CYS HB2 . 18955 1
105 . 1 1 12 12 CYS HB3 H 1 3.020 0.004 . 2 . 104 . . 12 CYS HB3 . 18955 1
106 . 1 1 12 12 CYS C C 13 176.193 . . 1 . 98 . . 12 CYS C . 18955 1
107 . 1 1 12 12 CYS CA C 13 60.402 0.032 . 1 . 99 . . 12 CYS CA . 18955 1
108 . 1 1 12 12 CYS CB C 13 31.506 0.022 . 1 . 100 . . 12 CYS CB . 18955 1
109 . 1 1 12 12 CYS N N 15 128.088 0.013 . 1 . 105 . . 12 CYS N . 18955 1
110 . 1 1 13 13 ARG H H 1 9.019 0.005 . 1 . 111 . . 13 ARG H . 18955 1
111 . 1 1 13 13 ARG HA H 1 4.280 0.005 . 1 . 112 . . 13 ARG HA . 18955 1
112 . 1 1 13 13 ARG HB2 H 1 1.975 0.006 . 2 . 113 . . 13 ARG HB2 . 18955 1
113 . 1 1 13 13 ARG HB3 H 1 1.833 0.002 . 2 . 114 . . 13 ARG HB3 . 18955 1
114 . 1 1 13 13 ARG HG2 H 1 1.726 0.004 . 1 . 116 . . 13 ARG HG2 . 18955 1
115 . 1 1 13 13 ARG HD2 H 1 3.209 0.003 . 1 . 115 . . 13 ARG HD2 . 18955 1
116 . 1 1 13 13 ARG C C 13 176.724 . . 1 . 106 . . 13 ARG C . 18955 1
117 . 1 1 13 13 ARG CA C 13 57.365 0.037 . 1 . 107 . . 13 ARG CA . 18955 1
118 . 1 1 13 13 ARG CB C 13 30.000 0.004 . 1 . 108 . . 13 ARG CB . 18955 1
119 . 1 1 13 13 ARG CG C 13 27.215 0.005 . 1 . 110 . . 13 ARG CG . 18955 1
120 . 1 1 13 13 ARG CD C 13 42.861 0.008 . 1 . 109 . . 13 ARG CD . 18955 1
121 . 1 1 13 13 ARG N N 15 127.594 0.048 . 1 . 117 . . 13 ARG N . 18955 1
122 . 1 1 14 14 LEU H H 1 8.428 0.002 . 1 . 124 . . 14 LEU H . 18955 1
123 . 1 1 14 14 LEU HA H 1 4.403 0.002 . 1 . 125 . . 14 LEU HA . 18955 1
124 . 1 1 14 14 LEU HB2 H 1 1.748 0.003 . 2 . 126 . . 14 LEU HB2 . 18955 1
125 . 1 1 14 14 LEU HB3 H 1 1.567 0.006 . 2 . 127 . . 14 LEU HB3 . 18955 1
126 . 1 1 14 14 LEU HG H 1 1.744 0.001 . 1 . 130 . . 14 LEU HG . 18955 1
127 . 1 1 14 14 LEU HD11 H 1 1.078 0.004 . 2 . 128 . . 14 LEU HD11 . 18955 1
128 . 1 1 14 14 LEU HD12 H 1 1.078 0.004 . 2 . 128 . . 14 LEU HD12 . 18955 1
129 . 1 1 14 14 LEU HD13 H 1 1.078 0.004 . 2 . 128 . . 14 LEU HD13 . 18955 1
130 . 1 1 14 14 LEU HD21 H 1 0.925 0.005 . 2 . 129 . . 14 LEU HD21 . 18955 1
131 . 1 1 14 14 LEU HD22 H 1 0.925 0.005 . 2 . 129 . . 14 LEU HD22 . 18955 1
132 . 1 1 14 14 LEU HD23 H 1 0.925 0.005 . 2 . 129 . . 14 LEU HD23 . 18955 1
133 . 1 1 14 14 LEU C C 13 178.220 . . 1 . 118 . . 14 LEU C . 18955 1
134 . 1 1 14 14 LEU CA C 13 55.353 0.015 . 1 . 119 . . 14 LEU CA . 18955 1
135 . 1 1 14 14 LEU CB C 13 42.811 0.014 . 1 . 120 . . 14 LEU CB . 18955 1
136 . 1 1 14 14 LEU CG C 13 27.622 . . 1 . 123 . . 14 LEU CG . 18955 1
137 . 1 1 14 14 LEU CD1 C 13 25.473 0.013 . 2 . 121 . . 14 LEU CD1 . 18955 1
138 . 1 1 14 14 LEU CD2 C 13 22.765 0.008 . 2 . 122 . . 14 LEU CD2 . 18955 1
139 . 1 1 14 14 LEU N N 15 119.390 0.014 . 1 . 131 . . 14 LEU N . 18955 1
140 . 1 1 15 15 PHE H H 1 8.078 0.004 . 1 . 134 . . 15 PHE H . 18955 1
141 . 1 1 15 15 PHE HA H 1 3.883 0.004 . 1 . 135 . . 15 PHE HA . 18955 1
142 . 1 1 15 15 PHE HB2 H 1 2.834 0.003 . 2 . 136 . . 15 PHE HB2 . 18955 1
143 . 1 1 15 15 PHE HB3 H 1 2.763 0.002 . 2 . 137 . . 15 PHE HB3 . 18955 1
144 . 1 1 15 15 PHE HD1 H 1 6.669 0.003 . 3 . 138 . . 15 PHE HD1 . 18955 1
145 . 1 1 15 15 PHE HD2 H 1 6.669 0.003 . 3 . 139 . . 15 PHE HD2 . 18955 1
146 . 1 1 15 15 PHE HE1 H 1 7.377 0.002 . 3 . 140 . . 15 PHE HE1 . 18955 1
147 . 1 1 15 15 PHE HE2 H 1 7.377 0.002 . 3 . 141 . . 15 PHE HE2 . 18955 1
148 . 1 1 15 15 PHE HZ H 1 7.279 0.005 . 1 . 142 . . 15 PHE HZ . 18955 1
149 . 1 1 15 15 PHE CA C 13 57.141 0.02 . 1 . 132 . . 15 PHE CA . 18955 1
150 . 1 1 15 15 PHE CB C 13 39.416 0.02 . 1 . 133 . . 15 PHE CB . 18955 1
151 . 1 1 15 15 PHE N N 15 125.096 0.027 . 1 . 143 . . 15 PHE N . 18955 1
152 . 1 1 16 16 PRO HA H 1 3.262 0.006 . 1 . 149 . . 16 PRO HA . 18955 1
153 . 1 1 16 16 PRO HB2 H 1 1.719 0.005 . 2 . 150 . . 16 PRO HB2 . 18955 1
154 . 1 1 16 16 PRO HB3 H 1 0.495 0.005 . 2 . 151 . . 16 PRO HB3 . 18955 1
155 . 1 1 16 16 PRO HG2 H 1 1.146 0.008 . 2 . 153 . . 16 PRO HG2 . 18955 1
156 . 1 1 16 16 PRO HG3 H 1 0.715 0.008 . 2 . 154 . . 16 PRO HG3 . 18955 1
157 . 1 1 16 16 PRO HD2 H 1 3.112 0.008 . 1 . 152 . . 16 PRO HD2 . 18955 1
158 . 1 1 16 16 PRO C C 13 174.011 . . 1 . 144 . . 16 PRO C . 18955 1
159 . 1 1 16 16 PRO CA C 13 63.189 0.015 . 1 . 145 . . 16 PRO CA . 18955 1
160 . 1 1 16 16 PRO CB C 13 31.726 0.038 . 1 . 146 . . 16 PRO CB . 18955 1
161 . 1 1 16 16 PRO CG C 13 24.027 0.036 . 1 . 148 . . 16 PRO CG . 18955 1
162 . 1 1 16 16 PRO CD C 13 48.783 0.016 . 1 . 147 . . 16 PRO CD . 18955 1
163 . 1 1 17 17 HIS H H 1 8.847 0.004 . 1 . 158 . . 17 HIS H . 18955 1
164 . 1 1 17 17 HIS HA H 1 4.808 0.006 . 1 . 159 . . 17 HIS HA . 18955 1
165 . 1 1 17 17 HIS HB2 H 1 2.951 0.012 . 2 . 160 . . 17 HIS HB2 . 18955 1
166 . 1 1 17 17 HIS HB3 H 1 3.229 0.004 . 2 . 161 . . 17 HIS HB3 . 18955 1
167 . 1 1 17 17 HIS HD2 H 1 7.131 0.003 . 1 . 162 . . 17 HIS HD2 . 18955 1
168 . 1 1 17 17 HIS HE1 H 1 8.239 0.003 . 1 . 163 . . 17 HIS HE1 . 18955 1
169 . 1 1 17 17 HIS C C 13 173.586 . . 1 . 155 . . 17 HIS C . 18955 1
170 . 1 1 17 17 HIS CA C 13 53.579 0.016 . 1 . 156 . . 17 HIS CA . 18955 1
171 . 1 1 17 17 HIS CB C 13 28.132 0.054 . 1 . 157 . . 17 HIS CB . 18955 1
172 . 1 1 17 17 HIS N N 15 126.294 0.017 . 1 . 164 . . 17 HIS N . 18955 1
173 . 1 1 18 18 CYS H H 1 7.655 0.004 . 1 . 167 . . 18 CYS H . 18955 1
174 . 1 1 18 18 CYS HA H 1 4.710 0.005 . 1 . 168 . . 18 CYS HA . 18955 1
175 . 1 1 18 18 CYS HB2 H 1 2.628 0.006 . 2 . 169 . . 18 CYS HB2 . 18955 1
176 . 1 1 18 18 CYS HB3 H 1 2.984 0.003 . 2 . 170 . . 18 CYS HB3 . 18955 1
177 . 1 1 18 18 CYS CA C 13 55.928 0.019 . 1 . 165 . . 18 CYS CA . 18955 1
178 . 1 1 18 18 CYS CB C 13 30.948 0.001 . 1 . 166 . . 18 CYS CB . 18955 1
179 . 1 1 18 18 CYS N N 15 121.716 0.043 . 1 . 171 . . 18 CYS N . 18955 1
180 . 1 1 19 19 PRO HA H 1 4.642 0.018 . 1 . 177 . . 19 PRO HA . 18955 1
181 . 1 1 19 19 PRO HB2 H 1 2.357 0.006 . 2 . 178 . . 19 PRO HB2 . 18955 1
182 . 1 1 19 19 PRO HB3 H 1 2.117 0.001 . 2 . 179 . . 19 PRO HB3 . 18955 1
183 . 1 1 19 19 PRO HG2 H 1 2.147 0.002 . 2 . 182 . . 19 PRO HG2 . 18955 1
184 . 1 1 19 19 PRO HG3 H 1 1.986 . . 2 . 183 . . 19 PRO HG3 . 18955 1
185 . 1 1 19 19 PRO HD2 H 1 4.186 0.003 . 2 . 180 . . 19 PRO HD2 . 18955 1
186 . 1 1 19 19 PRO HD3 H 1 4.092 0.003 . 2 . 181 . . 19 PRO HD3 . 18955 1
187 . 1 1 19 19 PRO C C 13 177.544 . . 1 . 172 . . 19 PRO C . 18955 1
188 . 1 1 19 19 PRO CA C 13 64.028 0.032 . 1 . 173 . . 19 PRO CA . 18955 1
189 . 1 1 19 19 PRO CB C 13 32.341 0.003 . 1 . 174 . . 19 PRO CB . 18955 1
190 . 1 1 19 19 PRO CG C 13 26.571 0.011 . 1 . 176 . . 19 PRO CG . 18955 1
191 . 1 1 19 19 PRO CD C 13 51.761 0.005 . 1 . 175 . . 19 PRO CD . 18955 1
192 . 1 1 20 20 LEU H H 1 8.414 0.003 . 1 . 190 . . 20 LEU H . 18955 1
193 . 1 1 20 20 LEU HA H 1 4.336 0.002 . 1 . 191 . . 20 LEU HA . 18955 1
194 . 1 1 20 20 LEU HB2 H 1 1.272 0.007 . 2 . 192 . . 20 LEU HB2 . 18955 1
195 . 1 1 20 20 LEU HB3 H 1 1.799 0.004 . 2 . 193 . . 20 LEU HB3 . 18955 1
196 . 1 1 20 20 LEU HG H 1 1.707 0.002 . 1 . 196 . . 20 LEU HG . 18955 1
197 . 1 1 20 20 LEU HD11 H 1 1.068 0.004 . 2 . 194 . . 20 LEU HD11 . 18955 1
198 . 1 1 20 20 LEU HD12 H 1 1.068 0.004 . 2 . 194 . . 20 LEU HD12 . 18955 1
199 . 1 1 20 20 LEU HD13 H 1 1.068 0.004 . 2 . 194 . . 20 LEU HD13 . 18955 1
200 . 1 1 20 20 LEU HD21 H 1 0.860 0.004 . 2 . 195 . . 20 LEU HD21 . 18955 1
201 . 1 1 20 20 LEU HD22 H 1 0.860 0.004 . 2 . 195 . . 20 LEU HD22 . 18955 1
202 . 1 1 20 20 LEU HD23 H 1 0.860 0.004 . 2 . 195 . . 20 LEU HD23 . 18955 1
203 . 1 1 20 20 LEU C C 13 179.078 . . 1 . 184 . . 20 LEU C . 18955 1
204 . 1 1 20 20 LEU CA C 13 55.946 0.007 . 1 . 185 . . 20 LEU CA . 18955 1
205 . 1 1 20 20 LEU CB C 13 42.184 0.031 . 1 . 186 . . 20 LEU CB . 18955 1
206 . 1 1 20 20 LEU CG C 13 27.572 . . 1 . 189 . . 20 LEU CG . 18955 1
207 . 1 1 20 20 LEU CD1 C 13 26.195 0.048 . 2 . 187 . . 20 LEU CD1 . 18955 1
208 . 1 1 20 20 LEU CD2 C 13 22.360 . . 2 . 188 . . 20 LEU CD2 . 18955 1
209 . 1 1 20 20 LEU N N 15 119.509 0.023 . 1 . 197 . . 20 LEU N . 18955 1
210 . 1 1 21 21 GLY H H 1 7.733 0.004 . 1 . 200 . . 21 GLY H . 18955 1
211 . 1 1 21 21 GLY HA2 H 1 4.025 0.005 . 1 . 201 . . 21 GLY HA2 . 18955 1
212 . 1 1 21 21 GLY C C 13 175.934 . . 1 . 198 . . 21 GLY C . 18955 1
213 . 1 1 21 21 GLY CA C 13 47.068 0.027 . 1 . 199 . . 21 GLY CA . 18955 1
214 . 1 1 21 21 GLY N N 15 107.914 0.018 . 1 . 202 . . 21 GLY N . 18955 1
215 . 1 1 22 22 ARG H H 1 8.972 0.004 . 1 . 206 . . 22 ARG H . 18955 1
216 . 1 1 22 22 ARG C C 13 177.221 . . 1 . 203 . . 22 ARG C . 18955 1
217 . 1 1 22 22 ARG CA C 13 57.753 0.037 . 1 . 204 . . 22 ARG CA . 18955 1
218 . 1 1 22 22 ARG CB C 13 29.630 . . 1 . 205 . . 22 ARG CB . 18955 1
219 . 1 1 22 22 ARG N N 15 123.916 0.019 . 1 . 207 . . 22 ARG N . 18955 1
220 . 1 1 23 23 SER H H 1 7.984 0.004 . 1 . 211 . . 23 SER H . 18955 1
221 . 1 1 23 23 SER HA H 1 4.459 0.002 . 1 . 212 . . 23 SER HA . 18955 1
222 . 1 1 23 23 SER HB2 H 1 3.992 0.004 . 2 . 213 . . 23 SER HB2 . 18955 1
223 . 1 1 23 23 SER HB3 H 1 3.938 0.006 . 2 . 214 . . 23 SER HB3 . 18955 1
224 . 1 1 23 23 SER C C 13 173.331 . . 1 . 208 . . 23 SER C . 18955 1
225 . 1 1 23 23 SER CA C 13 58.329 0.005 . 1 . 209 . . 23 SER CA . 18955 1
226 . 1 1 23 23 SER CB C 13 63.286 0.006 . 1 . 210 . . 23 SER CB . 18955 1
227 . 1 1 23 23 SER N N 15 112.560 . . 1 . 215 . . 23 SER N . 18955 1
228 . 1 1 24 24 CYS H H 1 7.442 0.003 . 1 . 218 . . 24 CYS H . 18955 1
229 . 1 1 24 24 CYS HA H 1 4.188 0.002 . 1 . 219 . . 24 CYS HA . 18955 1
230 . 1 1 24 24 CYS HB2 H 1 2.565 0.004 . 2 . 220 . . 24 CYS HB2 . 18955 1
231 . 1 1 24 24 CYS HB3 H 1 2.897 0.003 . 2 . 221 . . 24 CYS HB3 . 18955 1
232 . 1 1 24 24 CYS CA C 13 58.027 0.012 . 1 . 216 . . 24 CYS CA . 18955 1
233 . 1 1 24 24 CYS CB C 13 30.965 0.017 . 1 . 217 . . 24 CYS CB . 18955 1
234 . 1 1 24 24 CYS N N 15 126.167 0.018 . 1 . 222 . . 24 CYS N . 18955 1
235 . 1 1 25 25 PRO HA H 1 4.413 0.005 . 1 . 228 . . 25 PRO HA . 18955 1
236 . 1 1 25 25 PRO HB2 H 1 2.098 0.005 . 2 . 229 . . 25 PRO HB2 . 18955 1
237 . 1 1 25 25 PRO HB3 H 1 1.524 0.004 . 2 . 230 . . 25 PRO HB3 . 18955 1
238 . 1 1 25 25 PRO HG2 H 1 1.881 0.004 . 2 . 233 . . 25 PRO HG2 . 18955 1
239 . 1 1 25 25 PRO HG3 H 1 1.421 0.003 . 2 . 234 . . 25 PRO HG3 . 18955 1
240 . 1 1 25 25 PRO HD2 H 1 3.689 0.004 . 2 . 231 . . 25 PRO HD2 . 18955 1
241 . 1 1 25 25 PRO HD3 H 1 4.285 0.003 . 2 . 232 . . 25 PRO HD3 . 18955 1
242 . 1 1 25 25 PRO C C 13 176.167 . . 1 . 223 . . 25 PRO C . 18955 1
243 . 1 1 25 25 PRO CA C 13 63.544 0.011 . 1 . 224 . . 25 PRO CA . 18955 1
244 . 1 1 25 25 PRO CB C 13 31.914 0.005 . 1 . 225 . . 25 PRO CB . 18955 1
245 . 1 1 25 25 PRO CG C 13 26.156 0.011 . 1 . 227 . . 25 PRO CG . 18955 1
246 . 1 1 25 25 PRO CD C 13 51.533 0.021 . 1 . 226 . . 25 PRO CD . 18955 1
247 . 1 1 26 26 HIS H H 1 8.611 0.004 . 1 . 238 . . 26 HIS H . 18955 1
248 . 1 1 26 26 HIS HA H 1 4.845 0.007 . 1 . 239 . . 26 HIS HA . 18955 1
249 . 1 1 26 26 HIS HB2 H 1 3.154 0.004 . 2 . 240 . . 26 HIS HB2 . 18955 1
250 . 1 1 26 26 HIS HB3 H 1 3.001 0.004 . 2 . 241 . . 26 HIS HB3 . 18955 1
251 . 1 1 26 26 HIS HD2 H 1 7.231 0.002 . 1 . 242 . . 26 HIS HD2 . 18955 1
252 . 1 1 26 26 HIS HE1 H 1 8.092 0.002 . 1 . 243 . . 26 HIS HE1 . 18955 1
253 . 1 1 26 26 HIS C C 13 173.053 . . 1 . 235 . . 26 HIS C . 18955 1
254 . 1 1 26 26 HIS CA C 13 54.609 0.007 . 1 . 236 . . 26 HIS CA . 18955 1
255 . 1 1 26 26 HIS CB C 13 30.959 0.027 . 1 . 237 . . 26 HIS CB . 18955 1
256 . 1 1 26 26 HIS N N 15 119.861 0.022 . 1 . 244 . . 26 HIS N . 18955 1
257 . 1 1 27 27 ALA H H 1 8.291 0.003 . 1 . 248 . . 27 ALA H . 18955 1
258 . 1 1 27 27 ALA HA H 1 4.018 0.004 . 1 . 249 . . 27 ALA HA . 18955 1
259 . 1 1 27 27 ALA HB1 H 1 1.198 0.005 . 1 . 250 . . 27 ALA HB1 . 18955 1
260 . 1 1 27 27 ALA HB2 H 1 1.198 0.005 . 1 . 250 . . 27 ALA HB2 . 18955 1
261 . 1 1 27 27 ALA HB3 H 1 1.198 0.005 . 1 . 250 . . 27 ALA HB3 . 18955 1
262 . 1 1 27 27 ALA C C 13 177.694 . . 1 . 245 . . 27 ALA C . 18955 1
263 . 1 1 27 27 ALA CA C 13 52.798 0.041 . 1 . 246 . . 27 ALA CA . 18955 1
264 . 1 1 27 27 ALA CB C 13 19.856 0.033 . 1 . 247 . . 27 ALA CB . 18955 1
265 . 1 1 27 27 ALA N N 15 119.176 0.017 . 1 . 251 . . 27 ALA N . 18955 1
266 . 1 1 28 28 HIS H H 1 8.621 0.004 . 1 . 254 . . 28 HIS H . 18955 1
267 . 1 1 28 28 HIS HA H 1 4.310 0.005 . 1 . 255 . . 28 HIS HA . 18955 1
268 . 1 1 28 28 HIS HB2 H 1 2.829 0.005 . 2 . 256 . . 28 HIS HB2 . 18955 1
269 . 1 1 28 28 HIS HB3 H 1 1.815 0.005 . 2 . 257 . . 28 HIS HB3 . 18955 1
270 . 1 1 28 28 HIS HD2 H 1 6.663 0.002 . 1 . 258 . . 28 HIS HD2 . 18955 1
271 . 1 1 28 28 HIS HE1 H 1 8.100 0.004 . 1 . 259 . . 28 HIS HE1 . 18955 1
272 . 1 1 28 28 HIS CA C 13 50.233 0.026 . 1 . 252 . . 28 HIS CA . 18955 1
273 . 1 1 28 28 HIS CB C 13 29.090 0.035 . 1 . 253 . . 28 HIS CB . 18955 1
274 . 1 1 28 28 HIS N N 15 121.911 0.017 . 1 . 260 . . 28 HIS N . 18955 1
275 . 1 1 29 29 PRO HA H 1 4.303 0.003 . 1 . 266 . . 29 PRO HA . 18955 1
276 . 1 1 29 29 PRO HB2 H 1 1.655 0.008 . 1 . 267 . . 29 PRO HB2 . 18955 1
277 . 1 1 29 29 PRO HG2 H 1 1.827 0.005 . 2 . 270 . . 29 PRO HG2 . 18955 1
278 . 1 1 29 29 PRO HG3 H 1 1.384 0.004 . 2 . 271 . . 29 PRO HG3 . 18955 1
279 . 1 1 29 29 PRO HD2 H 1 3.273 0.003 . 2 . 268 . . 29 PRO HD2 . 18955 1
280 . 1 1 29 29 PRO HD3 H 1 2.822 0.003 . 2 . 269 . . 29 PRO HD3 . 18955 1
281 . 1 1 29 29 PRO C C 13 174.876 . . 1 . 261 . . 29 PRO C . 18955 1
282 . 1 1 29 29 PRO CA C 13 62.922 0.022 . 1 . 262 . . 29 PRO CA . 18955 1
283 . 1 1 29 29 PRO CB C 13 31.485 0.028 . 1 . 263 . . 29 PRO CB . 18955 1
284 . 1 1 29 29 PRO CG C 13 27.144 0.059 . 1 . 265 . . 29 PRO CG . 18955 1
285 . 1 1 29 29 PRO CD C 13 50.148 0.014 . 1 . 264 . . 29 PRO CD . 18955 1
286 . 1 1 30 30 THR H H 1 8.531 0.006 . 1 . 276 . . 30 THR H . 18955 1
287 . 1 1 30 30 THR HA H 1 4.517 0.003 . 1 . 277 . . 30 THR HA . 18955 1
288 . 1 1 30 30 THR HB H 1 4.459 0.003 . 1 . 278 . . 30 THR HB . 18955 1
289 . 1 1 30 30 THR HG21 H 1 1.248 0.003 . 1 . 279 . . 30 THR HG21 . 18955 1
290 . 1 1 30 30 THR HG22 H 1 1.248 0.003 . 1 . 279 . . 30 THR HG22 . 18955 1
291 . 1 1 30 30 THR HG23 H 1 1.248 0.003 . 1 . 279 . . 30 THR HG23 . 18955 1
292 . 1 1 30 30 THR C C 13 174.611 . . 1 . 272 . . 30 THR C . 18955 1
293 . 1 1 30 30 THR CA C 13 61.354 0.028 . 1 . 273 . . 30 THR CA . 18955 1
294 . 1 1 30 30 THR CB C 13 70.987 0.018 . 1 . 274 . . 30 THR CB . 18955 1
295 . 1 1 30 30 THR CG2 C 13 21.916 . . 1 . 275 . . 30 THR CG2 . 18955 1
296 . 1 1 30 30 THR N N 15 108.847 . . 1 . 280 . . 30 THR N . 18955 1
297 . 1 1 31 31 LYS H H 1 7.903 0.004 . 1 . 287 . . 31 LYS H . 18955 1
298 . 1 1 31 31 LYS HA H 1 4.843 0.003 . 1 . 288 . . 31 LYS HA . 18955 1
299 . 1 1 31 31 LYS HB2 H 1 1.974 0.002 . 2 . 289 . . 31 LYS HB2 . 18955 1
300 . 1 1 31 31 LYS HB3 H 1 1.913 0.019 . 2 . 290 . . 31 LYS HB3 . 18955 1
301 . 1 1 31 31 LYS HG2 H 1 1.494 0.005 . 2 . 293 . . 31 LYS HG2 . 18955 1
302 . 1 1 31 31 LYS HG3 H 1 1.572 0.002 . 2 . 294 . . 31 LYS HG3 . 18955 1
303 . 1 1 31 31 LYS HD2 H 1 1.722 0.003 . 1 . 291 . . 31 LYS HD2 . 18955 1
304 . 1 1 31 31 LYS HE2 H 1 2.973 0.001 . 1 . 292 . . 31 LYS HE2 . 18955 1
305 . 1 1 31 31 LYS C C 13 175.628 . . 1 . 281 . . 31 LYS C . 18955 1
306 . 1 1 31 31 LYS CA C 13 54.157 0.016 . 1 . 282 . . 31 LYS CA . 18955 1
307 . 1 1 31 31 LYS CB C 13 35.752 0.023 . 1 . 283 . . 31 LYS CB . 18955 1
308 . 1 1 31 31 LYS CG C 13 24.409 0.019 . 1 . 286 . . 31 LYS CG . 18955 1
309 . 1 1 31 31 LYS CD C 13 29.107 0.001 . 1 . 284 . . 31 LYS CD . 18955 1
310 . 1 1 31 31 LYS CE C 13 41.998 . . 1 . 285 . . 31 LYS CE . 18955 1
311 . 1 1 31 31 LYS N N 15 120.524 0.008 . 1 . 295 . . 31 LYS N . 18955 1
312 . 1 1 32 32 VAL H H 1 8.753 0.004 . 1 . 301 . . 32 VAL H . 18955 1
313 . 1 1 32 32 VAL HA H 1 4.003 0.004 . 1 . 302 . . 32 VAL HA . 18955 1
314 . 1 1 32 32 VAL HB H 1 1.908 0.005 . 1 . 303 . . 32 VAL HB . 18955 1
315 . 1 1 32 32 VAL HG11 H 1 0.929 0.002 . 2 . 304 . . 32 VAL HG11 . 18955 1
316 . 1 1 32 32 VAL HG12 H 1 0.929 0.002 . 2 . 304 . . 32 VAL HG12 . 18955 1
317 . 1 1 32 32 VAL HG13 H 1 0.929 0.002 . 2 . 304 . . 32 VAL HG13 . 18955 1
318 . 1 1 32 32 VAL HG21 H 1 0.923 0.002 . 2 . 305 . . 32 VAL HG21 . 18955 1
319 . 1 1 32 32 VAL HG22 H 1 0.923 0.002 . 2 . 305 . . 32 VAL HG22 . 18955 1
320 . 1 1 32 32 VAL HG23 H 1 0.923 0.002 . 2 . 305 . . 32 VAL HG23 . 18955 1
321 . 1 1 32 32 VAL C C 13 175.113 . . 1 . 296 . . 32 VAL C . 18955 1
322 . 1 1 32 32 VAL CA C 13 63.778 0.043 . 1 . 297 . . 32 VAL CA . 18955 1
323 . 1 1 32 32 VAL CB C 13 31.922 0.03 . 1 . 298 . . 32 VAL CB . 18955 1
324 . 1 1 32 32 VAL CG1 C 13 22.700 0.008 . 2 . 299 . . 32 VAL CG1 . 18955 1
325 . 1 1 32 32 VAL CG2 C 13 20.733 0.024 . 2 . 300 . . 32 VAL CG2 . 18955 1
326 . 1 1 32 32 VAL N N 15 122.436 0.021 . 1 . 306 . . 32 VAL N . 18955 1
327 . 1 1 33 33 CYS H H 1 9.204 0.003 . 1 . 310 . . 33 CYS H . 18955 1
328 . 1 1 33 33 CYS HA H 1 3.568 0.003 . 1 . 311 . . 33 CYS HA . 18955 1
329 . 1 1 33 33 CYS HB2 H 1 3.252 0.004 . 1 . 312 . . 33 CYS HB2 . 18955 1
330 . 1 1 33 33 CYS C C 13 175.810 . . 1 . 307 . . 33 CYS C . 18955 1
331 . 1 1 33 33 CYS CA C 13 61.112 0.035 . 1 . 308 . . 33 CYS CA . 18955 1
332 . 1 1 33 33 CYS CB C 13 32.135 0.035 . 1 . 309 . . 33 CYS CB . 18955 1
333 . 1 1 33 33 CYS N N 15 130.300 0.022 . 1 . 313 . . 33 CYS N . 18955 1
334 . 1 1 34 34 ASN H H 1 8.628 0.003 . 1 . 317 . . 34 ASN H . 18955 1
335 . 1 1 34 34 ASN HA H 1 4.484 0.003 . 1 . 318 . . 34 ASN HA . 18955 1
336 . 1 1 34 34 ASN HB2 H 1 2.735 0.004 . 1 . 319 . . 34 ASN HB2 . 18955 1
337 . 1 1 34 34 ASN HD21 H 1 7.609 0.002 . 1 . 320 . . 34 ASN HD21 . 18955 1
338 . 1 1 34 34 ASN HD22 H 1 6.872 0.003 . 1 . 321 . . 34 ASN HD22 . 18955 1
339 . 1 1 34 34 ASN C C 13 175.686 . . 1 . 314 . . 34 ASN C . 18955 1
340 . 1 1 34 34 ASN CA C 13 55.744 0.006 . 1 . 315 . . 34 ASN CA . 18955 1
341 . 1 1 34 34 ASN CB C 13 38.544 0.007 . 1 . 316 . . 34 ASN CB . 18955 1
342 . 1 1 34 34 ASN N N 15 126.738 0.031 . 1 . 322 . . 34 ASN N . 18955 1
343 . 1 1 34 34 ASN ND2 N 15 112.629 0.006 . 1 . 323 . . 34 ASN ND2 . 18955 1
344 . 1 1 35 35 GLU H H 1 8.398 0.003 . 1 . 328 . . 35 GLU H . 18955 1
345 . 1 1 35 35 GLU HA H 1 4.334 0.003 . 1 . 329 . . 35 GLU HA . 18955 1
346 . 1 1 35 35 GLU HB2 H 1 2.018 0.01 . 2 . 330 . . 35 GLU HB2 . 18955 1
347 . 1 1 35 35 GLU HB3 H 1 1.955 0.004 . 2 . 331 . . 35 GLU HB3 . 18955 1
348 . 1 1 35 35 GLU HG2 H 1 2.330 0.005 . 1 . 332 . . 35 GLU HG2 . 18955 1
349 . 1 1 35 35 GLU C C 13 177.137 . . 1 . 324 . . 35 GLU C . 18955 1
350 . 1 1 35 35 GLU CA C 13 57.271 0.044 . 1 . 325 . . 35 GLU CA . 18955 1
351 . 1 1 35 35 GLU CB C 13 30.357 0.025 . 1 . 326 . . 35 GLU CB . 18955 1
352 . 1 1 35 35 GLU CG C 13 37.479 0.03 . 1 . 327 . . 35 GLU CG . 18955 1
353 . 1 1 35 35 GLU N N 15 117.324 0.027 . 1 . 333 . . 35 GLU N . 18955 1
354 . 1 1 36 36 TYR H H 1 7.682 0.004 . 1 . 336 . . 36 TYR H . 18955 1
355 . 1 1 36 36 TYR HA H 1 4.062 0.005 . 1 . 337 . . 36 TYR HA . 18955 1
356 . 1 1 36 36 TYR HB2 H 1 3.114 0.004 . 2 . 338 . . 36 TYR HB2 . 18955 1
357 . 1 1 36 36 TYR HB3 H 1 2.893 0.002 . 2 . 339 . . 36 TYR HB3 . 18955 1
358 . 1 1 36 36 TYR HD1 H 1 6.818 0.002 . 3 . 340 . . 36 TYR HD1 . 18955 1
359 . 1 1 36 36 TYR HD2 H 1 6.818 0.002 . 3 . 341 . . 36 TYR HD2 . 18955 1
360 . 1 1 36 36 TYR HE1 H 1 6.969 0.002 . 3 . 342 . . 36 TYR HE1 . 18955 1
361 . 1 1 36 36 TYR HE2 H 1 6.969 0.002 . 3 . 343 . . 36 TYR HE2 . 18955 1
362 . 1 1 36 36 TYR CA C 13 57.131 0.012 . 1 . 334 . . 36 TYR CA . 18955 1
363 . 1 1 36 36 TYR CB C 13 39.221 0.016 . 1 . 335 . . 36 TYR CB . 18955 1
364 . 1 1 36 36 TYR N N 15 124.425 0.021 . 1 . 344 . . 36 TYR N . 18955 1
365 . 1 1 37 37 PRO HA H 1 3.411 0.005 . 1 . 350 . . 37 PRO HA . 18955 1
366 . 1 1 37 37 PRO HB2 H 1 0.886 0.008 . 2 . 351 . . 37 PRO HB2 . 18955 1
367 . 1 1 37 37 PRO HB3 H 1 2.010 0.004 . 2 . 352 . . 37 PRO HB3 . 18955 1
368 . 1 1 37 37 PRO HG2 H 1 1.685 0.004 . 2 . 355 . . 37 PRO HG2 . 18955 1
369 . 1 1 37 37 PRO HG3 H 1 1.333 0.006 . 2 . 356 . . 37 PRO HG3 . 18955 1
370 . 1 1 37 37 PRO HD2 H 1 3.251 0.004 . 2 . 353 . . 37 PRO HD2 . 18955 1
371 . 1 1 37 37 PRO HD3 H 1 3.288 0.001 . 2 . 354 . . 37 PRO HD3 . 18955 1
372 . 1 1 37 37 PRO C C 13 174.653 . . 1 . 345 . . 37 PRO C . 18955 1
373 . 1 1 37 37 PRO CA C 13 63.742 0.014 . 1 . 346 . . 37 PRO CA . 18955 1
374 . 1 1 37 37 PRO CB C 13 32.062 0.062 . 1 . 347 . . 37 PRO CB . 18955 1
375 . 1 1 37 37 PRO CG C 13 23.938 0.008 . 1 . 349 . . 37 PRO CG . 18955 1
376 . 1 1 37 37 PRO CD C 13 49.747 . . 1 . 348 . . 37 PRO CD . 18955 1
377 . 1 1 38 38 ASN H H 1 9.012 0.003 . 1 . 360 . . 38 ASN H . 18955 1
378 . 1 1 38 38 ASN HA H 1 4.955 0.004 . 1 . 361 . . 38 ASN HA . 18955 1
379 . 1 1 38 38 ASN HB2 H 1 2.897 0.002 . 2 . 362 . . 38 ASN HB2 . 18955 1
380 . 1 1 38 38 ASN HB3 H 1 2.507 0.003 . 2 . 363 . . 38 ASN HB3 . 18955 1
381 . 1 1 38 38 ASN HD21 H 1 7.692 0.003 . 1 . 364 . . 38 ASN HD21 . 18955 1
382 . 1 1 38 38 ASN HD22 H 1 6.883 0.003 . 1 . 365 . . 38 ASN HD22 . 18955 1
383 . 1 1 38 38 ASN C C 13 173.986 . . 1 . 357 . . 38 ASN C . 18955 1
384 . 1 1 38 38 ASN CA C 13 52.198 0.038 . 1 . 358 . . 38 ASN CA . 18955 1
385 . 1 1 38 38 ASN CB C 13 39.079 0.011 . 1 . 359 . . 38 ASN CB . 18955 1
386 . 1 1 38 38 ASN N N 15 124.807 0.015 . 1 . 366 . . 38 ASN N . 18955 1
387 . 1 1 38 38 ASN ND2 N 15 113.201 0.001 . 1 . 367 . . 38 ASN ND2 . 18955 1
388 . 1 1 39 39 CYS H H 1 7.402 0.004 . 1 . 370 . . 39 CYS H . 18955 1
389 . 1 1 39 39 CYS HA H 1 4.519 0.002 . 1 . 371 . . 39 CYS HA . 18955 1
390 . 1 1 39 39 CYS HB2 H 1 2.832 0.002 . 2 . 372 . . 39 CYS HB2 . 18955 1
391 . 1 1 39 39 CYS HB3 H 1 2.759 0.003 . 2 . 373 . . 39 CYS HB3 . 18955 1
392 . 1 1 39 39 CYS CA C 13 56.190 0.044 . 1 . 368 . . 39 CYS CA . 18955 1
393 . 1 1 39 39 CYS CB C 13 31.425 0.002 . 1 . 369 . . 39 CYS CB . 18955 1
394 . 1 1 39 39 CYS N N 15 123.162 0.021 . 1 . 374 . . 39 CYS N . 18955 1
395 . 1 1 40 40 PRO HA H 1 4.623 0.004 . 1 . 380 . . 40 PRO HA . 18955 1
396 . 1 1 40 40 PRO HB2 H 1 2.207 0.003 . 2 . 381 . . 40 PRO HB2 . 18955 1
397 . 1 1 40 40 PRO HB3 H 1 2.154 . . 2 . 382 . . 40 PRO HB3 . 18955 1
398 . 1 1 40 40 PRO HG2 H 1 2.142 0.01 . 2 . 385 . . 40 PRO HG2 . 18955 1
399 . 1 1 40 40 PRO HG3 H 1 1.892 0.004 . 2 . 386 . . 40 PRO HG3 . 18955 1
400 . 1 1 40 40 PRO HD2 H 1 4.296 0.002 . 2 . 383 . . 40 PRO HD2 . 18955 1
401 . 1 1 40 40 PRO HD3 H 1 3.838 0.006 . 2 . 384 . . 40 PRO HD3 . 18955 1
402 . 1 1 40 40 PRO C C 13 177.154 . . 1 . 375 . . 40 PRO C . 18955 1
403 . 1 1 40 40 PRO CA C 13 63.437 0.01 . 1 . 376 . . 40 PRO CA . 18955 1
404 . 1 1 40 40 PRO CB C 13 31.956 0.012 . 1 . 377 . . 40 PRO CB . 18955 1
405 . 1 1 40 40 PRO CG C 13 26.607 0.015 . 1 . 379 . . 40 PRO CG . 18955 1
406 . 1 1 40 40 PRO CD C 13 51.423 0.017 . 1 . 378 . . 40 PRO CD . 18955 1
407 . 1 1 41 41 LYS H H 1 8.505 0.003 . 1 . 392 . . 41 LYS H . 18955 1
408 . 1 1 41 41 LYS HA H 1 4.467 0.006 . 1 . 393 . . 41 LYS HA . 18955 1
409 . 1 1 41 41 LYS HB2 H 1 2.134 0.005 . 2 . 394 . . 41 LYS HB2 . 18955 1
410 . 1 1 41 41 LYS HB3 H 1 1.854 0.007 . 2 . 395 . . 41 LYS HB3 . 18955 1
411 . 1 1 41 41 LYS HG2 H 1 1.492 0.005 . 2 . 400 . . 41 LYS HG2 . 18955 1
412 . 1 1 41 41 LYS HG3 H 1 1.665 0.005 . 2 . 401 . . 41 LYS HG3 . 18955 1
413 . 1 1 41 41 LYS HD2 H 1 1.758 0.002 . 2 . 396 . . 41 LYS HD2 . 18955 1
414 . 1 1 41 41 LYS HD3 H 1 1.890 0.003 . 2 . 397 . . 41 LYS HD3 . 18955 1
415 . 1 1 41 41 LYS HE2 H 1 3.137 0.005 . 2 . 398 . . 41 LYS HE2 . 18955 1
416 . 1 1 41 41 LYS HE3 H 1 3.144 0.001 . 2 . 399 . . 41 LYS HE3 . 18955 1
417 . 1 1 41 41 LYS CA C 13 55.291 0.016 . 1 . 387 . . 41 LYS CA . 18955 1
418 . 1 1 41 41 LYS CB C 13 31.073 0.008 . 1 . 388 . . 41 LYS CB . 18955 1
419 . 1 1 41 41 LYS CG C 13 26.690 0.023 . 1 . 391 . . 41 LYS CG . 18955 1
420 . 1 1 41 41 LYS CD C 13 29.481 0.013 . 1 . 389 . . 41 LYS CD . 18955 1
421 . 1 1 41 41 LYS CE C 13 42.557 0.055 . 1 . 390 . . 41 LYS CE . 18955 1
422 . 1 1 41 41 LYS N N 15 124.574 0.023 . 1 . 402 . . 41 LYS N . 18955 1
423 . 1 1 42 42 PRO HA H 1 4.784 0.004 . 1 . 407 . . 42 PRO HA . 18955 1
424 . 1 1 42 42 PRO HB2 H 1 2.468 0.005 . 2 . 408 . . 42 PRO HB2 . 18955 1
425 . 1 1 42 42 PRO HB3 H 1 1.976 0.002 . 2 . 409 . . 42 PRO HB3 . 18955 1
426 . 1 1 42 42 PRO HG2 H 1 2.108 0.01 . 2 . 412 . . 42 PRO HG2 . 18955 1
427 . 1 1 42 42 PRO HG3 H 1 2.052 0.004 . 2 . 413 . . 42 PRO HG3 . 18955 1
428 . 1 1 42 42 PRO HD2 H 1 3.992 0.003 . 2 . 410 . . 42 PRO HD2 . 18955 1
429 . 1 1 42 42 PRO HD3 H 1 3.690 0.015 . 2 . 411 . . 42 PRO HD3 . 18955 1
430 . 1 1 42 42 PRO CA C 13 61.500 0.012 . 1 . 403 . . 42 PRO CA . 18955 1
431 . 1 1 42 42 PRO CB C 13 30.501 0.011 . 1 . 404 . . 42 PRO CB . 18955 1
432 . 1 1 42 42 PRO CG C 13 27.300 0.047 . 1 . 406 . . 42 PRO CG . 18955 1
433 . 1 1 42 42 PRO CD C 13 50.739 0.01 . 1 . 405 . . 42 PRO CD . 18955 1
434 . 1 1 43 43 PRO HA H 1 4.463 0.004 . 1 . 419 . . 43 PRO HA . 18955 1
435 . 1 1 43 43 PRO HB2 H 1 2.310 0.008 . 2 . 420 . . 43 PRO HB2 . 18955 1
436 . 1 1 43 43 PRO HB3 H 1 1.955 0.004 . 2 . 421 . . 43 PRO HB3 . 18955 1
437 . 1 1 43 43 PRO HG2 H 1 2.205 0.004 . 2 . 424 . . 43 PRO HG2 . 18955 1
438 . 1 1 43 43 PRO HG3 H 1 2.115 0.001 . 2 . 425 . . 43 PRO HG3 . 18955 1
439 . 1 1 43 43 PRO HD2 H 1 3.989 0.005 . 2 . 422 . . 43 PRO HD2 . 18955 1
440 . 1 1 43 43 PRO HD3 H 1 3.659 0.001 . 2 . 423 . . 43 PRO HD3 . 18955 1
441 . 1 1 43 43 PRO C C 13 177.579 . . 1 . 414 . . 43 PRO C . 18955 1
442 . 1 1 43 43 PRO CA C 13 64.122 0.029 . 1 . 415 . . 43 PRO CA . 18955 1
443 . 1 1 43 43 PRO CB C 13 31.866 0.016 . 1 . 416 . . 43 PRO CB . 18955 1
444 . 1 1 43 43 PRO CG C 13 27.519 0.022 . 1 . 418 . . 43 PRO CG . 18955 1
445 . 1 1 43 43 PRO CD C 13 50.733 0.018 . 1 . 417 . . 43 PRO CD . 18955 1
446 . 1 1 44 44 GLY H H 1 9.491 0.003 . 1 . 428 . . 44 GLY H . 18955 1
447 . 1 1 44 44 GLY HA2 H 1 3.742 0.007 . 2 . 429 . . 44 GLY HA2 . 18955 1
448 . 1 1 44 44 GLY HA3 H 1 4.213 0.007 . 2 . 430 . . 44 GLY HA3 . 18955 1
449 . 1 1 44 44 GLY C C 13 174.842 . . 1 . 426 . . 44 GLY C . 18955 1
450 . 1 1 44 44 GLY CA C 13 45.338 0.006 . 1 . 427 . . 44 GLY CA . 18955 1
451 . 1 1 44 44 GLY N N 15 110.896 . . 1 . 431 . . 44 GLY N . 18955 1
452 . 1 1 45 45 THR H H 1 7.981 0.004 . 1 . 436 . . 45 THR H . 18955 1
453 . 1 1 45 45 THR HA H 1 4.717 0.004 . 1 . 437 . . 45 THR HA . 18955 1
454 . 1 1 45 45 THR HB H 1 4.197 0.004 . 1 . 438 . . 45 THR HB . 18955 1
455 . 1 1 45 45 THR HG1 H 1 5.263 0.003 . 1 . 439 . . 45 THR HG1 . 18955 1
456 . 1 1 45 45 THR HG21 H 1 1.069 0.002 . 1 . 440 . . 45 THR HG21 . 18955 1
457 . 1 1 45 45 THR HG22 H 1 1.069 0.002 . 1 . 440 . . 45 THR HG22 . 18955 1
458 . 1 1 45 45 THR HG23 H 1 1.069 0.002 . 1 . 440 . . 45 THR HG23 . 18955 1
459 . 1 1 45 45 THR C C 13 174.695 . . 1 . 432 . . 45 THR C . 18955 1
460 . 1 1 45 45 THR CA C 13 62.502 0.026 . 1 . 433 . . 45 THR CA . 18955 1
461 . 1 1 45 45 THR CB C 13 71.865 0.019 . 1 . 434 . . 45 THR CB . 18955 1
462 . 1 1 45 45 THR CG2 C 13 20.856 . . 1 . 435 . . 45 THR CG2 . 18955 1
463 . 1 1 45 45 THR N N 15 106.734 . . 1 . 441 . . 45 THR N . 18955 1
464 . 1 1 46 46 CYS H H 1 9.131 0.002 . 1 . 445 . . 46 CYS H . 18955 1
465 . 1 1 46 46 CYS HA H 1 3.890 0.005 . 1 . 446 . . 46 CYS HA . 18955 1
466 . 1 1 46 46 CYS HB2 H 1 2.625 0.004 . 2 . 447 . . 46 CYS HB2 . 18955 1
467 . 1 1 46 46 CYS HB3 H 1 2.627 0.001 . 2 . 448 . . 46 CYS HB3 . 18955 1
468 . 1 1 46 46 CYS C C 13 174.975 . . 1 . 442 . . 46 CYS C . 18955 1
469 . 1 1 46 46 CYS CA C 13 61.898 0.068 . 1 . 443 . . 46 CYS CA . 18955 1
470 . 1 1 46 46 CYS CB C 13 28.605 0.023 . 1 . 444 . . 46 CYS CB . 18955 1
471 . 1 1 46 46 CYS N N 15 127.634 0.03 . 1 . 449 . . 46 CYS N . 18955 1
472 . 1 1 47 47 GLU H H 1 8.894 0.004 . 1 . 454 . . 47 GLU H . 18955 1
473 . 1 1 47 47 GLU HA H 1 3.477 0.005 . 1 . 455 . . 47 GLU HA . 18955 1
474 . 1 1 47 47 GLU HB2 H 1 1.714 0.004 . 2 . 456 . . 47 GLU HB2 . 18955 1
475 . 1 1 47 47 GLU HB3 H 1 1.457 0.005 . 2 . 457 . . 47 GLU HB3 . 18955 1
476 . 1 1 47 47 GLU HG2 H 1 2.072 0.008 . 2 . 458 . . 47 GLU HG2 . 18955 1
477 . 1 1 47 47 GLU HG3 H 1 1.706 0.004 . 2 . 459 . . 47 GLU HG3 . 18955 1
478 . 1 1 47 47 GLU C C 13 173.486 . . 1 . 450 . . 47 GLU C . 18955 1
479 . 1 1 47 47 GLU CA C 13 59.219 0.025 . 1 . 451 . . 47 GLU CA . 18955 1
480 . 1 1 47 47 GLU CB C 13 28.230 0.026 . 1 . 452 . . 47 GLU CB . 18955 1
481 . 1 1 47 47 GLU CG C 13 36.935 0.018 . 1 . 453 . . 47 GLU CG . 18955 1
482 . 1 1 47 47 GLU N N 15 125.827 0.028 . 1 . 460 . . 47 GLU N . 18955 1
483 . 1 1 48 48 PHE H H 1 8.928 0.003 . 1 . 464 . . 48 PHE H . 18955 1
484 . 1 1 48 48 PHE HA H 1 4.734 0.003 . 1 . 465 . . 48 PHE HA . 18955 1
485 . 1 1 48 48 PHE HB2 H 1 3.507 0.003 . 2 . 466 . . 48 PHE HB2 . 18955 1
486 . 1 1 48 48 PHE HB3 H 1 3.073 0.006 . 2 . 467 . . 48 PHE HB3 . 18955 1
487 . 1 1 48 48 PHE HD1 H 1 7.481 0.003 . 3 . 468 . . 48 PHE HD1 . 18955 1
488 . 1 1 48 48 PHE HD2 H 1 7.481 0.003 . 3 . 469 . . 48 PHE HD2 . 18955 1
489 . 1 1 48 48 PHE HE1 H 1 7.418 0.002 . 3 . 470 . . 48 PHE HE1 . 18955 1
490 . 1 1 48 48 PHE HE2 H 1 7.418 0.002 . 3 . 471 . . 48 PHE HE2 . 18955 1
491 . 1 1 48 48 PHE C C 13 173.376 . . 1 . 461 . . 48 PHE C . 18955 1
492 . 1 1 48 48 PHE CA C 13 56.033 0.018 . 1 . 462 . . 48 PHE CA . 18955 1
493 . 1 1 48 48 PHE CB C 13 40.898 0.089 . 1 . 463 . . 48 PHE CB . 18955 1
494 . 1 1 48 48 PHE N N 15 119.757 0.023 . 1 . 472 . . 48 PHE N . 18955 1
495 . 1 1 49 49 LEU H H 1 8.757 0.003 . 1 . 479 . . 49 LEU H . 18955 1
496 . 1 1 49 49 LEU HA H 1 4.248 0.005 . 1 . 480 . . 49 LEU HA . 18955 1
497 . 1 1 49 49 LEU HB2 H 1 1.193 0.004 . 2 . 481 . . 49 LEU HB2 . 18955 1
498 . 1 1 49 49 LEU HB3 H 1 1.491 0.003 . 2 . 482 . . 49 LEU HB3 . 18955 1
499 . 1 1 49 49 LEU HG H 1 1.289 0.006 . 1 . 485 . . 49 LEU HG . 18955 1
500 . 1 1 49 49 LEU HD11 H 1 0.754 0.002 . 2 . 483 . . 49 LEU HD11 . 18955 1
501 . 1 1 49 49 LEU HD12 H 1 0.754 0.002 . 2 . 483 . . 49 LEU HD12 . 18955 1
502 . 1 1 49 49 LEU HD13 H 1 0.754 0.002 . 2 . 483 . . 49 LEU HD13 . 18955 1
503 . 1 1 49 49 LEU HD21 H 1 0.667 0.002 . 2 . 484 . . 49 LEU HD21 . 18955 1
504 . 1 1 49 49 LEU HD22 H 1 0.667 0.002 . 2 . 484 . . 49 LEU HD22 . 18955 1
505 . 1 1 49 49 LEU HD23 H 1 0.667 0.002 . 2 . 484 . . 49 LEU HD23 . 18955 1
506 . 1 1 49 49 LEU C C 13 178.344 . . 1 . 473 . . 49 LEU C . 18955 1
507 . 1 1 49 49 LEU CA C 13 54.605 0.045 . 1 . 474 . . 49 LEU CA . 18955 1
508 . 1 1 49 49 LEU CB C 13 44.407 0.042 . 1 . 475 . . 49 LEU CB . 18955 1
509 . 1 1 49 49 LEU CG C 13 27.112 0.031 . 1 . 478 . . 49 LEU CG . 18955 1
510 . 1 1 49 49 LEU CD1 C 13 23.256 . . 2 . 476 . . 49 LEU CD1 . 18955 1
511 . 1 1 49 49 LEU CD2 C 13 25.521 . . 2 . 477 . . 49 LEU CD2 . 18955 1
512 . 1 1 49 49 LEU N N 15 114.329 . . 1 . 486 . . 49 LEU N . 18955 1
513 . 1 1 50 50 HIS H H 1 10.160 0.004 . 1 . 489 . . 50 HIS H . 18955 1
514 . 1 1 50 50 HIS HA H 1 4.789 0.004 . 1 . 490 . . 50 HIS HA . 18955 1
515 . 1 1 50 50 HIS HB2 H 1 2.788 0.006 . 2 . 491 . . 50 HIS HB2 . 18955 1
516 . 1 1 50 50 HIS HB3 H 1 3.365 0.007 . 2 . 492 . . 50 HIS HB3 . 18955 1
517 . 1 1 50 50 HIS HD1 H 1 12.250 0.003 . 1 . 493 . . 50 HIS HD1 . 18955 1
518 . 1 1 50 50 HIS HD2 H 1 6.872 0.002 . 1 . 494 . . 50 HIS HD2 . 18955 1
519 . 1 1 50 50 HIS HE1 H 1 8.252 0.002 . 1 . 495 . . 50 HIS HE1 . 18955 1
520 . 1 1 50 50 HIS CA C 13 50.347 0.014 . 1 . 487 . . 50 HIS CA . 18955 1
521 . 1 1 50 50 HIS CB C 13 30.221 0.003 . 1 . 488 . . 50 HIS CB . 18955 1
522 . 1 1 50 50 HIS N N 15 120.645 0.026 . 1 . 496 . . 50 HIS N . 18955 1
523 . 1 1 51 51 PRO HA H 1 4.024 0.007 . 1 . 502 . . 51 PRO HA . 18955 1
524 . 1 1 51 51 PRO HB2 H 1 2.280 0.002 . 2 . 503 . . 51 PRO HB2 . 18955 1
525 . 1 1 51 51 PRO HB3 H 1 1.825 0.005 . 2 . 504 . . 51 PRO HB3 . 18955 1
526 . 1 1 51 51 PRO HG2 H 1 1.938 0.002 . 2 . 507 . . 51 PRO HG2 . 18955 1
527 . 1 1 51 51 PRO HG3 H 1 1.627 0.009 . 2 . 508 . . 51 PRO HG3 . 18955 1
528 . 1 1 51 51 PRO HD2 H 1 3.333 0.002 . 2 . 505 . . 51 PRO HD2 . 18955 1
529 . 1 1 51 51 PRO HD3 H 1 2.012 0.002 . 2 . 506 . . 51 PRO HD3 . 18955 1
530 . 1 1 51 51 PRO C C 13 175.849 . . 1 . 497 . . 51 PRO C . 18955 1
531 . 1 1 51 51 PRO CA C 13 66.490 0.024 . 1 . 498 . . 51 PRO CA . 18955 1
532 . 1 1 51 51 PRO CB C 13 31.931 0.004 . 1 . 499 . . 51 PRO CB . 18955 1
533 . 1 1 51 51 PRO CG C 13 27.184 0.003 . 1 . 501 . . 51 PRO CG . 18955 1
534 . 1 1 51 51 PRO CD C 13 49.366 0.014 . 1 . 500 . . 51 PRO CD . 18955 1
535 . 1 1 52 52 ASN H H 1 8.056 0.007 . 1 . 512 . . 52 ASN H . 18955 1
536 . 1 1 52 52 ASN HA H 1 4.545 0.014 . 1 . 513 . . 52 ASN HA . 18955 1
537 . 1 1 52 52 ASN HB2 H 1 3.231 0.002 . 2 . 514 . . 52 ASN HB2 . 18955 1
538 . 1 1 52 52 ASN HB3 H 1 2.993 0.005 . 2 . 515 . . 52 ASN HB3 . 18955 1
539 . 1 1 52 52 ASN HD21 H 1 7.683 0.003 . 1 . 516 . . 52 ASN HD21 . 18955 1
540 . 1 1 52 52 ASN HD22 H 1 7.063 0.003 . 1 . 517 . . 52 ASN HD22 . 18955 1
541 . 1 1 52 52 ASN C C 13 176.891 . . 1 . 509 . . 52 ASN C . 18955 1
542 . 1 1 52 52 ASN CA C 13 55.920 0.026 . 1 . 510 . . 52 ASN CA . 18955 1
543 . 1 1 52 52 ASN CB C 13 37.223 0.038 . 1 . 511 . . 52 ASN CB . 18955 1
544 . 1 1 52 52 ASN N N 15 111.065 . . 1 . 518 . . 52 ASN N . 18955 1
545 . 1 1 52 52 ASN ND2 N 15 111.540 0.002 . 1 . 519 . . 52 ASN ND2 . 18955 1
546 . 1 1 53 53 GLU H H 1 8.071 0.006 . 1 . 524 . . 53 GLU H . 18955 1
547 . 1 1 53 53 GLU HA H 1 4.467 0.005 . 1 . 525 . . 53 GLU HA . 18955 1
548 . 1 1 53 53 GLU HB2 H 1 2.226 0.005 . 2 . 526 . . 53 GLU HB2 . 18955 1
549 . 1 1 53 53 GLU HB3 H 1 2.136 0.004 . 2 . 527 . . 53 GLU HB3 . 18955 1
550 . 1 1 53 53 GLU HG2 H 1 2.530 0.005 . 1 . 528 . . 53 GLU HG2 . 18955 1
551 . 1 1 53 53 GLU C C 13 177.828 . . 1 . 520 . . 53 GLU C . 18955 1
552 . 1 1 53 53 GLU CA C 13 57.156 0.037 . 1 . 521 . . 53 GLU CA . 18955 1
553 . 1 1 53 53 GLU CB C 13 32.160 0.013 . 1 . 522 . . 53 GLU CB . 18955 1
554 . 1 1 53 53 GLU CG C 13 35.601 0.005 . 1 . 523 . . 53 GLU CG . 18955 1
555 . 1 1 53 53 GLU N N 15 119.242 0.021 . 1 . 529 . . 53 GLU N . 18955 1
556 . 1 1 54 54 ASP H H 1 8.081 0.003 . 1 . 533 . . 54 ASP H . 18955 1
557 . 1 1 54 54 ASP HA H 1 5.259 0.006 . 1 . 534 . . 54 ASP HA . 18955 1
558 . 1 1 54 54 ASP HB2 H 1 3.082 0.006 . 2 . 535 . . 54 ASP HB2 . 18955 1
559 . 1 1 54 54 ASP HB3 H 1 2.375 0.003 . 2 . 536 . . 54 ASP HB3 . 18955 1
560 . 1 1 54 54 ASP C C 13 176.168 . . 1 . 530 . . 54 ASP C . 18955 1
561 . 1 1 54 54 ASP CA C 13 53.975 0.026 . 1 . 531 . . 54 ASP CA . 18955 1
562 . 1 1 54 54 ASP CB C 13 41.555 0.008 . 1 . 532 . . 54 ASP CB . 18955 1
563 . 1 1 54 54 ASP N N 15 115.820 . . 1 . 537 . . 54 ASP N . 18955 1
564 . 1 1 55 55 GLU H H 1 7.791 0.005 . 1 . 542 . . 55 GLU H . 18955 1
565 . 1 1 55 55 GLU HA H 1 4.011 0.004 . 1 . 543 . . 55 GLU HA . 18955 1
566 . 1 1 55 55 GLU HB2 H 1 2.241 0.003 . 2 . 544 . . 55 GLU HB2 . 18955 1
567 . 1 1 55 55 GLU HB3 H 1 2.070 0.004 . 2 . 545 . . 55 GLU HB3 . 18955 1
568 . 1 1 55 55 GLU HG2 H 1 2.404 0.007 . 2 . 546 . . 55 GLU HG2 . 18955 1
569 . 1 1 55 55 GLU HG3 H 1 2.235 . . 2 . 547 . . 55 GLU HG3 . 18955 1
570 . 1 1 55 55 GLU C C 13 178.920 . . 1 . 538 . . 55 GLU C . 18955 1
571 . 1 1 55 55 GLU CA C 13 60.867 0.037 . 1 . 539 . . 55 GLU CA . 18955 1
572 . 1 1 55 55 GLU CB C 13 29.930 0.009 . 1 . 540 . . 55 GLU CB . 18955 1
573 . 1 1 55 55 GLU CG C 13 36.187 0.013 . 1 . 541 . . 55 GLU CG . 18955 1
574 . 1 1 55 55 GLU N N 15 120.872 0.018 . 1 . 548 . . 55 GLU N . 18955 1
575 . 1 1 56 56 GLU H H 1 8.848 0.003 . 1 . 553 . . 56 GLU H . 18955 1
576 . 1 1 56 56 GLU HA H 1 4.088 0.003 . 1 . 554 . . 56 GLU HA . 18955 1
577 . 1 1 56 56 GLU HB2 H 1 2.061 0.004 . 1 . 555 . . 56 GLU HB2 . 18955 1
578 . 1 1 56 56 GLU HG2 H 1 2.393 0.003 . 2 . 556 . . 56 GLU HG2 . 18955 1
579 . 1 1 56 56 GLU HG3 H 1 2.335 0.004 . 2 . 557 . . 56 GLU HG3 . 18955 1
580 . 1 1 56 56 GLU C C 13 179.383 . . 1 . 549 . . 56 GLU C . 18955 1
581 . 1 1 56 56 GLU CA C 13 59.507 0.017 . 1 . 550 . . 56 GLU CA . 18955 1
582 . 1 1 56 56 GLU CB C 13 28.545 0.05 . 1 . 551 . . 56 GLU CB . 18955 1
583 . 1 1 56 56 GLU CG C 13 36.190 0.016 . 1 . 552 . . 56 GLU CG . 18955 1
584 . 1 1 56 56 GLU N N 15 117.047 0.046 . 1 . 558 . . 56 GLU N . 18955 1
585 . 1 1 57 57 LEU H H 1 7.730 0.004 . 1 . 565 . . 57 LEU H . 18955 1
586 . 1 1 57 57 LEU HA H 1 4.194 0.001 . 1 . 566 . . 57 LEU HA . 18955 1
587 . 1 1 57 57 LEU HB2 H 1 1.790 0.005 . 2 . 567 . . 57 LEU HB2 . 18955 1
588 . 1 1 57 57 LEU HB3 H 1 1.715 0.005 . 2 . 568 . . 57 LEU HB3 . 18955 1
589 . 1 1 57 57 LEU HG H 1 1.592 0.005 . 1 . 571 . . 57 LEU HG . 18955 1
590 . 1 1 57 57 LEU HD11 H 1 0.938 0.004 . 2 . 569 . . 57 LEU HD11 . 18955 1
591 . 1 1 57 57 LEU HD12 H 1 0.938 0.004 . 2 . 569 . . 57 LEU HD12 . 18955 1
592 . 1 1 57 57 LEU HD13 H 1 0.938 0.004 . 2 . 569 . . 57 LEU HD13 . 18955 1
593 . 1 1 57 57 LEU HD21 H 1 0.868 0.007 . 2 . 570 . . 57 LEU HD21 . 18955 1
594 . 1 1 57 57 LEU HD22 H 1 0.868 0.007 . 2 . 570 . . 57 LEU HD22 . 18955 1
595 . 1 1 57 57 LEU HD23 H 1 0.868 0.007 . 2 . 570 . . 57 LEU HD23 . 18955 1
596 . 1 1 57 57 LEU C C 13 179.100 . . 1 . 559 . . 57 LEU C . 18955 1
597 . 1 1 57 57 LEU CA C 13 57.791 0.04 . 1 . 560 . . 57 LEU CA . 18955 1
598 . 1 1 57 57 LEU CB C 13 41.537 0.007 . 1 . 561 . . 57 LEU CB . 18955 1
599 . 1 1 57 57 LEU CG C 13 27.307 0.01 . 1 . 564 . . 57 LEU CG . 18955 1
600 . 1 1 57 57 LEU CD1 C 13 24.125 0.009 . 2 . 562 . . 57 LEU CD1 . 18955 1
601 . 1 1 57 57 LEU CD2 C 13 25.592 0.019 . 2 . 563 . . 57 LEU CD2 . 18955 1
602 . 1 1 57 57 LEU N N 15 122.039 0.031 . 1 . 572 . . 57 LEU N . 18955 1
603 . 1 1 58 58 MET H H 1 8.542 0.002 . 1 . 578 . . 58 MET H . 18955 1
604 . 1 1 58 58 MET HA H 1 4.135 0.003 . 1 . 579 . . 58 MET HA . 18955 1
605 . 1 1 58 58 MET HB2 H 1 2.242 0.004 . 2 . 580 . . 58 MET HB2 . 18955 1
606 . 1 1 58 58 MET HB3 H 1 2.117 0.008 . 2 . 581 . . 58 MET HB3 . 18955 1
607 . 1 1 58 58 MET HG2 H 1 2.629 0.004 . 2 . 583 . . 58 MET HG2 . 18955 1
608 . 1 1 58 58 MET HG3 H 1 2.405 0.005 . 2 . 584 . . 58 MET HG3 . 18955 1
609 . 1 1 58 58 MET HE1 H 1 2.024 0.007 . 1 . 582 . . 58 MET HE1 . 18955 1
610 . 1 1 58 58 MET HE2 H 1 2.024 0.007 . 1 . 582 . . 58 MET HE2 . 18955 1
611 . 1 1 58 58 MET HE3 H 1 2.024 0.007 . 1 . 582 . . 58 MET HE3 . 18955 1
612 . 1 1 58 58 MET C C 13 179.484 . . 1 . 573 . . 58 MET C . 18955 1
613 . 1 1 58 58 MET CA C 13 59.232 0.012 . 1 . 574 . . 58 MET CA . 18955 1
614 . 1 1 58 58 MET CB C 13 32.592 0.023 . 1 . 575 . . 58 MET CB . 18955 1
615 . 1 1 58 58 MET CG C 13 32.825 . . 1 . 577 . . 58 MET CG . 18955 1
616 . 1 1 58 58 MET CE C 13 16.245 . . 1 . 576 . . 58 MET CE . 18955 1
617 . 1 1 58 58 MET N N 15 117.033 0.02 . 1 . 585 . . 58 MET N . 18955 1
618 . 1 1 59 59 LYS H H 1 8.191 0.003 . 1 . 592 . . 59 LYS H . 18955 1
619 . 1 1 59 59 LYS HA H 1 4.116 0.002 . 1 . 593 . . 59 LYS HA . 18955 1
620 . 1 1 59 59 LYS HB2 H 1 2.008 0.003 . 2 . 594 . . 59 LYS HB2 . 18955 1
621 . 1 1 59 59 LYS HB3 H 1 1.907 0.001 . 2 . 595 . . 59 LYS HB3 . 18955 1
622 . 1 1 59 59 LYS HG2 H 1 1.701 0.002 . 2 . 598 . . 59 LYS HG2 . 18955 1
623 . 1 1 59 59 LYS HG3 H 1 1.486 0.005 . 2 . 599 . . 59 LYS HG3 . 18955 1
624 . 1 1 59 59 LYS HD2 H 1 1.703 0.001 . 1 . 596 . . 59 LYS HD2 . 18955 1
625 . 1 1 59 59 LYS HE2 H 1 2.957 0.001 . 1 . 597 . . 59 LYS HE2 . 18955 1
626 . 1 1 59 59 LYS C C 13 179.662 . . 1 . 586 . . 59 LYS C . 18955 1
627 . 1 1 59 59 LYS CA C 13 59.475 0.018 . 1 . 587 . . 59 LYS CA . 18955 1
628 . 1 1 59 59 LYS CB C 13 32.116 0.008 . 1 . 588 . . 59 LYS CB . 18955 1
629 . 1 1 59 59 LYS CG C 13 25.310 0.042 . 1 . 591 . . 59 LYS CG . 18955 1
630 . 1 1 59 59 LYS CD C 13 29.160 0.006 . 1 . 589 . . 59 LYS CD . 18955 1
631 . 1 1 59 59 LYS CE C 13 41.943 . . 1 . 590 . . 59 LYS CE . 18955 1
632 . 1 1 59 59 LYS N N 15 119.633 0.015 . 1 . 600 . . 59 LYS N . 18955 1
633 . 1 1 60 60 GLU H H 1 8.031 0.003 . 1 . 605 . . 60 GLU H . 18955 1
634 . 1 1 60 60 GLU HA H 1 4.257 0.003 . 1 . 606 . . 60 GLU HA . 18955 1
635 . 1 1 60 60 GLU HB2 H 1 2.173 . . 2 . 607 . . 60 GLU HB2 . 18955 1
636 . 1 1 60 60 GLU HB3 H 1 2.013 0.002 . 2 . 608 . . 60 GLU HB3 . 18955 1
637 . 1 1 60 60 GLU HG2 H 1 2.417 0.007 . 2 . 609 . . 60 GLU HG2 . 18955 1
638 . 1 1 60 60 GLU HG3 H 1 2.125 0.012 . 2 . 610 . . 60 GLU HG3 . 18955 1
639 . 1 1 60 60 GLU C C 13 179.889 . . 1 . 601 . . 60 GLU C . 18955 1
640 . 1 1 60 60 GLU CA C 13 58.434 0.02 . 1 . 602 . . 60 GLU CA . 18955 1
641 . 1 1 60 60 GLU CB C 13 28.637 0.015 . 1 . 603 . . 60 GLU CB . 18955 1
642 . 1 1 60 60 GLU CG C 13 34.678 0.039 . 1 . 604 . . 60 GLU CG . 18955 1
643 . 1 1 60 60 GLU N N 15 120.635 0.016 . 1 . 611 . . 60 GLU N . 18955 1
644 . 1 1 61 61 MET H H 1 8.600 0.005 . 1 . 617 . . 61 MET H . 18955 1
645 . 1 1 61 61 MET HA H 1 3.773 0.007 . 1 . 618 . . 61 MET HA . 18955 1
646 . 1 1 61 61 MET HB2 H 1 2.179 0.001 . 1 . 619 . . 61 MET HB2 . 18955 1
647 . 1 1 61 61 MET HG2 H 1 2.500 0.007 . 2 . 621 . . 61 MET HG2 . 18955 1
648 . 1 1 61 61 MET HG3 H 1 2.212 0.007 . 2 . 622 . . 61 MET HG3 . 18955 1
649 . 1 1 61 61 MET HE1 H 1 2.182 0.003 . 1 . 620 . . 61 MET HE1 . 18955 1
650 . 1 1 61 61 MET HE2 H 1 2.182 0.003 . 1 . 620 . . 61 MET HE2 . 18955 1
651 . 1 1 61 61 MET HE3 H 1 2.182 0.003 . 1 . 620 . . 61 MET HE3 . 18955 1
652 . 1 1 61 61 MET C C 13 178.644 . . 1 . 612 . . 61 MET C . 18955 1
653 . 1 1 61 61 MET CA C 13 59.284 0.019 . 1 . 613 . . 61 MET CA . 18955 1
654 . 1 1 61 61 MET CB C 13 33.511 0.056 . 1 . 614 . . 61 MET CB . 18955 1
655 . 1 1 61 61 MET CG C 13 31.746 0.021 . 1 . 616 . . 61 MET CG . 18955 1
656 . 1 1 61 61 MET CE C 13 16.809 . . 1 . 615 . . 61 MET CE . 18955 1
657 . 1 1 61 61 MET N N 15 119.856 0.034 . 1 . 623 . . 61 MET N . 18955 1
658 . 1 1 62 62 GLU H H 1 7.915 0.005 . 1 . 628 . . 62 GLU H . 18955 1
659 . 1 1 62 62 GLU HA H 1 4.180 0.003 . 1 . 629 . . 62 GLU HA . 18955 1
660 . 1 1 62 62 GLU HB2 H 1 2.180 0.004 . 1 . 630 . . 62 GLU HB2 . 18955 1
661 . 1 1 62 62 GLU HG2 H 1 2.343 0.007 . 2 . 631 . . 62 GLU HG2 . 18955 1
662 . 1 1 62 62 GLU HG3 H 1 2.434 0.008 . 2 . 632 . . 62 GLU HG3 . 18955 1
663 . 1 1 62 62 GLU C C 13 178.738 . . 1 . 624 . . 62 GLU C . 18955 1
664 . 1 1 62 62 GLU CA C 13 58.935 0.033 . 1 . 625 . . 62 GLU CA . 18955 1
665 . 1 1 62 62 GLU CB C 13 29.352 . . 1 . 626 . . 62 GLU CB . 18955 1
666 . 1 1 62 62 GLU CG C 13 36.048 0.008 . 1 . 627 . . 62 GLU CG . 18955 1
667 . 1 1 62 62 GLU N N 15 118.998 0.024 . 1 . 633 . . 62 GLU N . 18955 1
668 . 1 1 63 63 ARG H H 1 8.040 0.003 . 1 . 639 . . 63 ARG H . 18955 1
669 . 1 1 63 63 ARG HA H 1 4.164 0.003 . 1 . 640 . . 63 ARG HA . 18955 1
670 . 1 1 63 63 ARG HB2 H 1 2.051 0.001 . 2 . 641 . . 63 ARG HB2 . 18955 1
671 . 1 1 63 63 ARG HB3 H 1 1.966 0.002 . 2 . 642 . . 63 ARG HB3 . 18955 1
672 . 1 1 63 63 ARG HG2 H 1 1.796 . . 2 . 646 . . 63 ARG HG2 . 18955 1
673 . 1 1 63 63 ARG HG3 H 1 1.732 0.001 . 2 . 647 . . 63 ARG HG3 . 18955 1
674 . 1 1 63 63 ARG HD2 H 1 3.255 0.011 . 2 . 643 . . 63 ARG HD2 . 18955 1
675 . 1 1 63 63 ARG HD3 H 1 3.225 0.006 . 2 . 644 . . 63 ARG HD3 . 18955 1
676 . 1 1 63 63 ARG HE H 1 7.521 0.002 . 1 . 645 . . 63 ARG HE . 18955 1
677 . 1 1 63 63 ARG C C 13 178.988 . . 1 . 634 . . 63 ARG C . 18955 1
678 . 1 1 63 63 ARG CA C 13 58.917 0.063 . 1 . 635 . . 63 ARG CA . 18955 1
679 . 1 1 63 63 ARG CB C 13 30.409 0.007 . 1 . 636 . . 63 ARG CB . 18955 1
680 . 1 1 63 63 ARG CG C 13 27.183 0.007 . 1 . 638 . . 63 ARG CG . 18955 1
681 . 1 1 63 63 ARG CD C 13 43.161 0.001 . 1 . 637 . . 63 ARG CD . 18955 1
682 . 1 1 63 63 ARG N N 15 118.688 0.031 . 1 . 648 . . 63 ARG N . 18955 1
683 . 1 1 63 63 ARG NE N 15 83.202 . . 1 . 649 . . 63 ARG NE . 18955 1
684 . 1 1 64 64 THR H H 1 7.993 0.003 . 1 . 654 . . 64 THR H . 18955 1
685 . 1 1 64 64 THR HA H 1 4.148 0.003 . 1 . 655 . . 64 THR HA . 18955 1
686 . 1 1 64 64 THR HB H 1 4.211 0.004 . 1 . 656 . . 64 THR HB . 18955 1
687 . 1 1 64 64 THR HG21 H 1 1.145 0.003 . 1 . 657 . . 64 THR HG21 . 18955 1
688 . 1 1 64 64 THR HG22 H 1 1.145 0.003 . 1 . 657 . . 64 THR HG22 . 18955 1
689 . 1 1 64 64 THR HG23 H 1 1.145 0.003 . 1 . 657 . . 64 THR HG23 . 18955 1
690 . 1 1 64 64 THR C C 13 175.944 . . 1 . 650 . . 64 THR C . 18955 1
691 . 1 1 64 64 THR CA C 13 64.483 0.039 . 1 . 651 . . 64 THR CA . 18955 1
692 . 1 1 64 64 THR CB C 13 69.121 0.042 . 1 . 652 . . 64 THR CB . 18955 1
693 . 1 1 64 64 THR CG2 C 13 21.578 . . 1 . 653 . . 64 THR CG2 . 18955 1
694 . 1 1 64 64 THR N N 15 111.795 0.05 . 1 . 658 . . 64 THR N . 18955 1
695 . 1 1 65 65 ARG H H 1 7.874 0.003 . 1 . 664 . . 65 ARG H . 18955 1
696 . 1 1 65 65 ARG HA H 1 4.199 0.003 . 1 . 665 . . 65 ARG HA . 18955 1
697 . 1 1 65 65 ARG HB2 H 1 1.996 0.003 . 1 . 666 . . 65 ARG HB2 . 18955 1
698 . 1 1 65 65 ARG HG2 H 1 1.771 0.005 . 2 . 669 . . 65 ARG HG2 . 18955 1
699 . 1 1 65 65 ARG HG3 H 1 1.648 0.002 . 2 . 670 . . 65 ARG HG3 . 18955 1
700 . 1 1 65 65 ARG HD2 H 1 3.268 0.007 . 2 . 667 . . 65 ARG HD2 . 18955 1
701 . 1 1 65 65 ARG HD3 H 1 3.230 0.004 . 2 . 668 . . 65 ARG HD3 . 18955 1
702 . 1 1 65 65 ARG C C 13 178.125 . . 1 . 659 . . 65 ARG C . 18955 1
703 . 1 1 65 65 ARG CA C 13 58.450 . . 1 . 660 . . 65 ARG CA . 18955 1
704 . 1 1 65 65 ARG CB C 13 29.950 . . 1 . 661 . . 65 ARG CB . 18955 1
705 . 1 1 65 65 ARG CG C 13 27.197 0.011 . 1 . 663 . . 65 ARG CG . 18955 1
706 . 1 1 65 65 ARG CD C 13 43.240 0.006 . 1 . 662 . . 65 ARG CD . 18955 1
707 . 1 1 65 65 ARG N N 15 121.442 0.043 . 1 . 671 . . 65 ARG N . 18955 1
708 . 1 1 66 66 GLU H H 1 8.341 0.003 . 1 . 676 . . 66 GLU H . 18955 1
709 . 1 1 66 66 GLU HA H 1 4.155 0.007 . 1 . 677 . . 66 GLU HA . 18955 1
710 . 1 1 66 66 GLU HB2 H 1 2.065 0.002 . 1 . 678 . . 66 GLU HB2 . 18955 1
711 . 1 1 66 66 GLU HG2 H 1 2.348 0.002 . 2 . 679 . . 66 GLU HG2 . 18955 1
712 . 1 1 66 66 GLU HG3 H 1 2.274 0.002 . 2 . 680 . . 66 GLU HG3 . 18955 1
713 . 1 1 66 66 GLU C C 13 178.415 . . 1 . 672 . . 66 GLU C . 18955 1
714 . 1 1 66 66 GLU CA C 13 58.461 0.005 . 1 . 673 . . 66 GLU CA . 18955 1
715 . 1 1 66 66 GLU CB C 13 29.625 0.006 . 1 . 674 . . 66 GLU CB . 18955 1
716 . 1 1 66 66 GLU CG C 13 36.175 0.013 . 1 . 675 . . 66 GLU CG . 18955 1
717 . 1 1 66 66 GLU N N 15 119.614 0.029 . 1 . 681 . . 66 GLU N . 18955 1
718 . 1 1 67 67 GLU H H 1 8.356 0.009 . 1 . 686 . . 67 GLU H . 18955 1
719 . 1 1 67 67 GLU HA H 1 4.145 0.005 . 1 . 687 . . 67 GLU HA . 18955 1
720 . 1 1 67 67 GLU HG2 H 1 2.318 0.003 . 1 . 688 . . 67 GLU HG2 . 18955 1
721 . 1 1 67 67 GLU C C 13 178.145 . . 1 . 682 . . 67 GLU C . 18955 1
722 . 1 1 67 67 GLU CA C 13 58.442 0.009 . 1 . 683 . . 67 GLU CA . 18955 1
723 . 1 1 67 67 GLU CB C 13 29.473 . . 1 . 684 . . 67 GLU CB . 18955 1
724 . 1 1 67 67 GLU CG C 13 36.158 0.005 . 1 . 685 . . 67 GLU CG . 18955 1
725 . 1 1 67 67 GLU N N 15 119.719 0.037 . 1 . 689 . . 67 GLU N . 18955 1
726 . 1 1 68 68 PHE H H 1 8.088 0.003 . 1 . 693 . . 68 PHE H . 18955 1
727 . 1 1 68 68 PHE HA H 1 4.495 0.004 . 1 . 694 . . 68 PHE HA . 18955 1
728 . 1 1 68 68 PHE HB2 H 1 3.262 0.006 . 2 . 695 . . 68 PHE HB2 . 18955 1
729 . 1 1 68 68 PHE HB3 H 1 3.214 0.002 . 2 . 696 . . 68 PHE HB3 . 18955 1
730 . 1 1 68 68 PHE HD1 H 1 7.290 0.007 . 3 . 697 . . 68 PHE HD1 . 18955 1
731 . 1 1 68 68 PHE HD2 H 1 7.290 0.007 . 3 . 698 . . 68 PHE HD2 . 18955 1
732 . 1 1 68 68 PHE HE1 H 1 7.347 0.002 . 3 . 699 . . 68 PHE HE1 . 18955 1
733 . 1 1 68 68 PHE HE2 H 1 7.347 0.002 . 3 . 700 . . 68 PHE HE2 . 18955 1
734 . 1 1 68 68 PHE C C 13 177.254 . . 1 . 690 . . 68 PHE C . 18955 1
735 . 1 1 68 68 PHE CA C 13 59.525 0.049 . 1 . 691 . . 68 PHE CA . 18955 1
736 . 1 1 68 68 PHE CB C 13 39.101 0.049 . 1 . 692 . . 68 PHE CB . 18955 1
737 . 1 1 68 68 PHE N N 15 118.635 0.027 . 1 . 701 . . 68 PHE N . 18955 1
738 . 1 1 69 69 GLN H H 1 8.210 0.003 . 1 . 706 . . 69 GLN H . 18955 1
739 . 1 1 69 69 GLN HA H 1 4.144 0.009 . 1 . 707 . . 69 GLN HA . 18955 1
740 . 1 1 69 69 GLN HB2 H 1 2.174 0.003 . 1 . 708 . . 69 GLN HB2 . 18955 1
741 . 1 1 69 69 GLN HG2 H 1 2.514 0.003 . 2 . 711 . . 69 GLN HG2 . 18955 1
742 . 1 1 69 69 GLN HG3 H 1 2.479 0.007 . 2 . 712 . . 69 GLN HG3 . 18955 1
743 . 1 1 69 69 GLN HE21 H 1 7.558 0.003 . 1 . 709 . . 69 GLN HE21 . 18955 1
744 . 1 1 69 69 GLN HE22 H 1 6.965 0.002 . 1 . 710 . . 69 GLN HE22 . 18955 1
745 . 1 1 69 69 GLN C C 13 177.426 . . 1 . 702 . . 69 GLN C . 18955 1
746 . 1 1 69 69 GLN CA C 13 57.254 0.019 . 1 . 703 . . 69 GLN CA . 18955 1
747 . 1 1 69 69 GLN CB C 13 28.713 0.014 . 1 . 704 . . 69 GLN CB . 18955 1
748 . 1 1 69 69 GLN CG C 13 33.854 0.037 . 1 . 705 . . 69 GLN CG . 18955 1
749 . 1 1 69 69 GLN N N 15 118.195 0.026 . 1 . 713 . . 69 GLN N . 18955 1
750 . 1 1 69 69 GLN NE2 N 15 110.956 0.006 . 1 . 714 . . 69 GLN NE2 . 18955 1
751 . 1 1 70 70 LYS H H 1 8.088 0.004 . 1 . 720 . . 70 LYS H . 18955 1
752 . 1 1 70 70 LYS HA H 1 4.190 0.002 . 1 . 721 . . 70 LYS HA . 18955 1
753 . 1 1 70 70 LYS HB2 H 1 1.893 0.001 . 2 . 722 . . 70 LYS HB2 . 18955 1
754 . 1 1 70 70 LYS HB3 H 1 1.839 0.001 . 2 . 723 . . 70 LYS HB3 . 18955 1
755 . 1 1 70 70 LYS HG2 H 1 1.530 0.006 . 2 . 726 . . 70 LYS HG2 . 18955 1
756 . 1 1 70 70 LYS HG3 H 1 1.466 0.001 . 2 . 727 . . 70 LYS HG3 . 18955 1
757 . 1 1 70 70 LYS HD2 H 1 1.692 . . 1 . 724 . . 70 LYS HD2 . 18955 1
758 . 1 1 70 70 LYS HE2 H 1 3.232 . . 1 . 725 . . 70 LYS HE2 . 18955 1
759 . 1 1 70 70 LYS C C 13 177.603 . . 1 . 715 . . 70 LYS C . 18955 1
760 . 1 1 70 70 LYS CA C 13 57.691 0.023 . 1 . 716 . . 70 LYS CA . 18955 1
761 . 1 1 70 70 LYS CB C 13 32.616 0.014 . 1 . 717 . . 70 LYS CB . 18955 1
762 . 1 1 70 70 LYS CG C 13 25.074 0.006 . 1 . 719 . . 70 LYS CG . 18955 1
763 . 1 1 70 70 LYS CE C 13 43.313 . . 1 . 718 . . 70 LYS CE . 18955 1
764 . 1 1 70 70 LYS N N 15 119.919 0.019 . 1 . 728 . . 70 LYS N . 18955 1
765 . 1 1 71 71 ARG H H 1 8.007 0.005 . 1 . 734 . . 71 ARG H . 18955 1
766 . 1 1 71 71 ARG HA H 1 4.256 0.007 . 1 . 735 . . 71 ARG HA . 18955 1
767 . 1 1 71 71 ARG HB2 H 1 1.852 0.006 . 1 . 736 . . 71 ARG HB2 . 18955 1
768 . 1 1 71 71 ARG HG2 H 1 1.619 0.001 . 2 . 738 . . 71 ARG HG2 . 18955 1
769 . 1 1 71 71 ARG HG3 H 1 1.740 . . 2 . 739 . . 71 ARG HG3 . 18955 1
770 . 1 1 71 71 ARG HD2 H 1 3.204 0.006 . 1 . 737 . . 71 ARG HD2 . 18955 1
771 . 1 1 71 71 ARG C C 13 177.510 . . 1 . 729 . . 71 ARG C . 18955 1
772 . 1 1 71 71 ARG CA C 13 57.060 0.012 . 1 . 730 . . 71 ARG CA . 18955 1
773 . 1 1 71 71 ARG CB C 13 30.438 0.018 . 1 . 731 . . 71 ARG CB . 18955 1
774 . 1 1 71 71 ARG CG C 13 26.993 0.006 . 1 . 733 . . 71 ARG CG . 18955 1
775 . 1 1 71 71 ARG CD C 13 43.263 0.008 . 1 . 732 . . 71 ARG CD . 18955 1
776 . 1 1 71 71 ARG N N 15 118.811 0.028 . 1 . 740 . . 71 ARG N . 18955 1
777 . 1 1 72 72 LYS H H 1 8.104 0.009 . 1 . 747 . . 72 LYS H . 18955 1
778 . 1 1 72 72 LYS HA H 1 4.111 0.002 . 1 . 748 . . 72 LYS HA . 18955 1
779 . 1 1 72 72 LYS HB2 H 1 1.818 0.002 . 2 . 749 . . 72 LYS HB2 . 18955 1
780 . 1 1 72 72 LYS HB3 H 1 1.745 0.001 . 2 . 750 . . 72 LYS HB3 . 18955 1
781 . 1 1 72 72 LYS HG2 H 1 1.441 0.002 . 2 . 753 . . 72 LYS HG2 . 18955 1
782 . 1 1 72 72 LYS HG3 H 1 1.383 0.001 . 2 . 754 . . 72 LYS HG3 . 18955 1
783 . 1 1 72 72 LYS HD2 H 1 1.689 . . 1 . 751 . . 72 LYS HD2 . 18955 1
784 . 1 1 72 72 LYS HE2 H 1 2.982 0.004 . 1 . 752 . . 72 LYS HE2 . 18955 1
785 . 1 1 72 72 LYS C C 13 177.457 . . 1 . 741 . . 72 LYS C . 18955 1
786 . 1 1 72 72 LYS CA C 13 57.534 0.013 . 1 . 742 . . 72 LYS CA . 18955 1
787 . 1 1 72 72 LYS CB C 13 32.441 0.01 . 1 . 743 . . 72 LYS CB . 18955 1
788 . 1 1 72 72 LYS CG C 13 24.621 0.01 . 1 . 746 . . 72 LYS CG . 18955 1
789 . 1 1 72 72 LYS CD C 13 29.355 0.011 . 1 . 744 . . 72 LYS CD . 18955 1
790 . 1 1 72 72 LYS CE C 13 41.957 . . 1 . 745 . . 72 LYS CE . 18955 1
791 . 1 1 72 72 LYS N N 15 120.410 0.015 . 1 . 755 . . 72 LYS N . 18955 1
792 . 1 1 73 73 ALA H H 1 8.150 0.008 . 1 . 759 . . 73 ALA H . 18955 1
793 . 1 1 73 73 ALA HA H 1 4.218 0.007 . 1 . 760 . . 73 ALA HA . 18955 1
794 . 1 1 73 73 ALA HB1 H 1 1.440 0.006 . 1 . 761 . . 73 ALA HB1 . 18955 1
795 . 1 1 73 73 ALA HB2 H 1 1.440 0.006 . 1 . 761 . . 73 ALA HB2 . 18955 1
796 . 1 1 73 73 ALA HB3 H 1 1.440 0.006 . 1 . 761 . . 73 ALA HB3 . 18955 1
797 . 1 1 73 73 ALA C C 13 178.857 . . 1 . 756 . . 73 ALA C . 18955 1
798 . 1 1 73 73 ALA CA C 13 53.421 0.06 . 1 . 757 . . 73 ALA CA . 18955 1
799 . 1 1 73 73 ALA CB C 13 18.686 0.03 . 1 . 758 . . 73 ALA CB . 18955 1
800 . 1 1 73 73 ALA N N 15 122.568 0.027 . 1 . 762 . . 73 ALA N . 18955 1
801 . 1 1 74 74 ASP H H 1 8.262 0.004 . 1 . 766 . . 74 ASP H . 18955 1
802 . 1 1 74 74 ASP HA H 1 4.534 0.005 . 1 . 767 . . 74 ASP HA . 18955 1
803 . 1 1 74 74 ASP HB2 H 1 2.706 0.004 . 2 . 768 . . 74 ASP HB2 . 18955 1
804 . 1 1 74 74 ASP HB3 H 1 2.677 0.001 . 2 . 769 . . 74 ASP HB3 . 18955 1
805 . 1 1 74 74 ASP C C 13 177.587 . . 1 . 763 . . 74 ASP C . 18955 1
806 . 1 1 74 74 ASP CA C 13 55.164 0.027 . 1 . 764 . . 74 ASP CA . 18955 1
807 . 1 1 74 74 ASP CB C 13 40.703 0.041 . 1 . 765 . . 74 ASP CB . 18955 1
808 . 1 1 74 74 ASP N N 15 118.608 0.033 . 1 . 770 . . 74 ASP N . 18955 1
809 . 1 1 75 75 LEU H H 1 8.049 0.007 . 1 . 777 . . 75 LEU H . 18955 1
810 . 1 1 75 75 LEU HA H 1 4.244 0.002 . 1 . 778 . . 75 LEU HA . 18955 1
811 . 1 1 75 75 LEU HB2 H 1 1.726 . . 2 . 779 . . 75 LEU HB2 . 18955 1
812 . 1 1 75 75 LEU HB3 H 1 1.619 . . 2 . 780 . . 75 LEU HB3 . 18955 1
813 . 1 1 75 75 LEU HG H 1 1.699 . . 1 . 783 . . 75 LEU HG . 18955 1
814 . 1 1 75 75 LEU HD11 H 1 0.939 0.006 . 2 . 781 . . 75 LEU HD11 . 18955 1
815 . 1 1 75 75 LEU HD12 H 1 0.939 0.006 . 2 . 781 . . 75 LEU HD12 . 18955 1
816 . 1 1 75 75 LEU HD13 H 1 0.939 0.006 . 2 . 781 . . 75 LEU HD13 . 18955 1
817 . 1 1 75 75 LEU HD21 H 1 0.891 0.003 . 2 . 782 . . 75 LEU HD21 . 18955 1
818 . 1 1 75 75 LEU HD22 H 1 0.891 0.003 . 2 . 782 . . 75 LEU HD22 . 18955 1
819 . 1 1 75 75 LEU HD23 H 1 0.891 0.003 . 2 . 782 . . 75 LEU HD23 . 18955 1
820 . 1 1 75 75 LEU C C 13 178.531 . . 1 . 771 . . 75 LEU C . 18955 1
821 . 1 1 75 75 LEU CA C 13 56.237 0.01 . 1 . 772 . . 75 LEU CA . 18955 1
822 . 1 1 75 75 LEU CB C 13 41.952 . . 1 . 773 . . 75 LEU CB . 18955 1
823 . 1 1 75 75 LEU CG C 13 26.796 . . 1 . 776 . . 75 LEU CG . 18955 1
824 . 1 1 75 75 LEU CD1 C 13 24.846 0.037 . 2 . 774 . . 75 LEU CD1 . 18955 1
825 . 1 1 75 75 LEU CD2 C 13 23.214 0.033 . 2 . 775 . . 75 LEU CD2 . 18955 1
826 . 1 1 75 75 LEU N N 15 121.007 0.006 . 1 . 784 . . 75 LEU N . 18955 1
827 . 1 1 76 76 LEU H H 1 8.019 0.006 . 1 . 791 . . 76 LEU H . 18955 1
828 . 1 1 76 76 LEU HA H 1 4.279 0.003 . 1 . 792 . . 76 LEU HA . 18955 1
829 . 1 1 76 76 LEU HB2 H 1 1.732 . . 2 . 793 . . 76 LEU HB2 . 18955 1
830 . 1 1 76 76 LEU HB3 H 1 1.618 . . 2 . 794 . . 76 LEU HB3 . 18955 1
831 . 1 1 76 76 LEU HG H 1 1.706 . . 1 . 797 . . 76 LEU HG . 18955 1
832 . 1 1 76 76 LEU HD11 H 1 0.942 0.002 . 2 . 795 . . 76 LEU HD11 . 18955 1
833 . 1 1 76 76 LEU HD12 H 1 0.942 0.002 . 2 . 795 . . 76 LEU HD12 . 18955 1
834 . 1 1 76 76 LEU HD13 H 1 0.942 0.002 . 2 . 795 . . 76 LEU HD13 . 18955 1
835 . 1 1 76 76 LEU HD21 H 1 0.888 0.008 . 2 . 796 . . 76 LEU HD21 . 18955 1
836 . 1 1 76 76 LEU HD22 H 1 0.888 0.008 . 2 . 796 . . 76 LEU HD22 . 18955 1
837 . 1 1 76 76 LEU HD23 H 1 0.888 0.008 . 2 . 796 . . 76 LEU HD23 . 18955 1
838 . 1 1 76 76 LEU C C 13 177.935 . . 1 . 785 . . 76 LEU C . 18955 1
839 . 1 1 76 76 LEU CA C 13 55.610 0.01 . 1 . 786 . . 76 LEU CA . 18955 1
840 . 1 1 76 76 LEU CB C 13 41.864 . . 1 . 787 . . 76 LEU CB . 18955 1
841 . 1 1 76 76 LEU CG C 13 26.779 . . 1 . 790 . . 76 LEU CG . 18955 1
842 . 1 1 76 76 LEU CD1 C 13 24.744 0.002 . 2 . 788 . . 76 LEU CD1 . 18955 1
843 . 1 1 76 76 LEU CD2 C 13 23.125 0.007 . 2 . 789 . . 76 LEU CD2 . 18955 1
844 . 1 1 76 76 LEU N N 15 119.983 0.011 . 1 . 798 . . 76 LEU N . 18955 1
845 . 1 1 77 77 ALA H H 1 7.902 0.005 . 1 . 802 . . 77 ALA H . 18955 1
846 . 1 1 77 77 ALA HA H 1 4.275 0.016 . 1 . 803 . . 77 ALA HA . 18955 1
847 . 1 1 77 77 ALA HB1 H 1 1.430 0.008 . 1 . 804 . . 77 ALA HB1 . 18955 1
848 . 1 1 77 77 ALA HB2 H 1 1.430 0.008 . 1 . 804 . . 77 ALA HB2 . 18955 1
849 . 1 1 77 77 ALA HB3 H 1 1.430 0.008 . 1 . 804 . . 77 ALA HB3 . 18955 1
850 . 1 1 77 77 ALA C C 13 177.779 . . 1 . 799 . . 77 ALA C . 18955 1
851 . 1 1 77 77 ALA CA C 13 52.643 0.003 . 1 . 800 . . 77 ALA CA . 18955 1
852 . 1 1 77 77 ALA CB C 13 18.871 0.007 . 1 . 801 . . 77 ALA CB . 18955 1
853 . 1 1 77 77 ALA N N 15 122.294 0.013 . 1 . 805 . . 77 ALA N . 18955 1
854 . 1 1 78 78 ALA H H 1 7.962 0.006 . 1 . 809 . . 78 ALA H . 18955 1
855 . 1 1 78 78 ALA HA H 1 4.286 0.013 . 1 . 810 . . 78 ALA HA . 18955 1
856 . 1 1 78 78 ALA HB1 H 1 1.430 0.005 . 1 . 811 . . 78 ALA HB1 . 18955 1
857 . 1 1 78 78 ALA HB2 H 1 1.430 0.005 . 1 . 811 . . 78 ALA HB2 . 18955 1
858 . 1 1 78 78 ALA HB3 H 1 1.430 0.005 . 1 . 811 . . 78 ALA HB3 . 18955 1
859 . 1 1 78 78 ALA C C 13 177.803 . . 1 . 806 . . 78 ALA C . 18955 1
860 . 1 1 78 78 ALA CA C 13 52.410 0.015 . 1 . 807 . . 78 ALA CA . 18955 1
861 . 1 1 78 78 ALA CB C 13 19.016 0.003 . 1 . 808 . . 78 ALA CB . 18955 1
862 . 1 1 78 78 ALA N N 15 121.292 0.012 . 1 . 812 . . 78 ALA N . 18955 1
863 . 1 1 79 79 LYS H H 1 8.129 0.006 . 1 . 819 . . 79 LYS H . 18955 1
864 . 1 1 79 79 LYS HA H 1 4.319 0.002 . 1 . 820 . . 79 LYS HA . 18955 1
865 . 1 1 79 79 LYS HB2 H 1 1.890 0.001 . 2 . 821 . . 79 LYS HB2 . 18955 1
866 . 1 1 79 79 LYS HB3 H 1 1.788 0.002 . 2 . 822 . . 79 LYS HB3 . 18955 1
867 . 1 1 79 79 LYS HG2 H 1 1.493 0.003 . 2 . 825 . . 79 LYS HG2 . 18955 1
868 . 1 1 79 79 LYS HG3 H 1 1.463 0.001 . 2 . 826 . . 79 LYS HG3 . 18955 1
869 . 1 1 79 79 LYS HD2 H 1 1.697 0.004 . 1 . 823 . . 79 LYS HD2 . 18955 1
870 . 1 1 79 79 LYS HE2 H 1 3.016 0.003 . 1 . 824 . . 79 LYS HE2 . 18955 1
871 . 1 1 79 79 LYS C C 13 175.865 . . 1 . 813 . . 79 LYS C . 18955 1
872 . 1 1 79 79 LYS CA C 13 56.244 0.007 . 1 . 814 . . 79 LYS CA . 18955 1
873 . 1 1 79 79 LYS CB C 13 32.721 0.004 . 1 . 815 . . 79 LYS CB . 18955 1
874 . 1 1 79 79 LYS CG C 13 24.575 0.02 . 1 . 818 . . 79 LYS CG . 18955 1
875 . 1 1 79 79 LYS CD C 13 28.950 0.01 . 1 . 816 . . 79 LYS CD . 18955 1
876 . 1 1 79 79 LYS CE C 13 41.949 . . 1 . 817 . . 79 LYS CE . 18955 1
877 . 1 1 79 79 LYS N N 15 119.995 0.021 . 1 . 827 . . 79 LYS N . 18955 1
878 . 1 1 80 80 ARG H H 1 7.968 0.005 . 1 . 829 . . 80 ARG H . 18955 1
879 . 1 1 80 80 ARG HA H 1 4.205 . . 1 . 830 . . 80 ARG HA . 18955 1
880 . 1 1 80 80 ARG CA C 13 57.349 . . 1 . 828 . . 80 ARG CA . 18955 1
881 . 1 1 80 80 ARG N N 15 127.149 0.016 . 1 . 831 . . 80 ARG N . 18955 1
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