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 19653
_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/4ch1/ebi/SUP12_ggtgtgc_for_deposition.str.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 15N-NOESY 1 $sample_1 solution 19653 1
2 13C-NOESY 2 $sample_2 solution 19653 1
3 'double-filtered 1H' 2 $sample_2 solution 19653 1
4 1H-NOESY 2 $sample_2 solution 19653 1
5 1H-TOCSY 2 $sample_2 solution 19653 1
6 1H 3 $sample_3 solution 19653 1
7 1H-NOESY 3 $sample_3 solution 19653 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 3.850 0.02 . 1 . 3 . . 1 GLY HA2 . 19653 1
2 . 1 1 1 1 GLY HA3 H 1 3.850 0.02 . 1 . 2 . . 1 GLY HA3 . 19653 1
3 . 1 1 1 1 GLY CA C 13 43.030 0.02 . 1 . 1 . . 1 GLY CA . 19653 1
4 . 1 1 2 2 ALA HA H 1 4.326 0.02 . 1 . 7 . . 2 ALA HA . 19653 1
5 . 1 1 2 2 ALA HB1 H 1 1.375 0.02 . 1 . 8 . . 2 ALA HB1 . 19653 1
6 . 1 1 2 2 ALA HB2 H 1 1.375 0.02 . 1 . 8 . . 2 ALA HB2 . 19653 1
7 . 1 1 2 2 ALA HB3 H 1 1.375 0.02 . 1 . 8 . . 2 ALA HB3 . 19653 1
8 . 1 1 2 2 ALA C C 13 177.760 0.20 . 1 . 4 . . 2 ALA C . 19653 1
9 . 1 1 2 2 ALA CA C 13 52.503 0.20 . 1 . 5 . . 2 ALA CA . 19653 1
10 . 1 1 2 2 ALA CB C 13 19.235 0.20 . 1 . 6 . . 2 ALA CB . 19653 1
11 . 1 1 3 3 MET H H 1 8.558 0.02 . 1 . 14 . . 3 MET H . 19653 1
12 . 1 1 3 3 MET HA H 1 4.445 0.02 . 1 . 15 . . 3 MET HA . 19653 1
13 . 1 1 3 3 MET HB2 H 1 2.066 0.02 . 2 . 17 . . 3 MET HB2 . 19653 1
14 . 1 1 3 3 MET HB3 H 1 2.006 0.02 . 2 . 16 . . 3 MET HB3 . 19653 1
15 . 1 1 3 3 MET HG2 H 1 2.537 0.02 . 2 . 20 . . 3 MET HG2 . 19653 1
16 . 1 1 3 3 MET HG3 H 1 2.595 0.02 . 2 . 19 . . 3 MET HG3 . 19653 1
17 . 1 1 3 3 MET HE1 H 1 2.054 0.02 . 1 . 18 . . 3 MET HE1 . 19653 1
18 . 1 1 3 3 MET HE2 H 1 2.054 0.02 . 1 . 18 . . 3 MET HE2 . 19653 1
19 . 1 1 3 3 MET HE3 H 1 2.054 0.02 . 1 . 18 . . 3 MET HE3 . 19653 1
20 . 1 1 3 3 MET C C 13 176.667 0.20 . 1 . 9 . . 3 MET C . 19653 1
21 . 1 1 3 3 MET CA C 13 55.728 0.20 . 1 . 10 . . 3 MET CA . 19653 1
22 . 1 1 3 3 MET CB C 13 32.569 0.20 . 1 . 11 . . 3 MET CB . 19653 1
23 . 1 1 3 3 MET CG C 13 32.138 0.20 . 1 . 13 . . 3 MET CG . 19653 1
24 . 1 1 3 3 MET CE C 13 16.769 0.20 . 1 . 12 . . 3 MET CE . 19653 1
25 . 1 1 3 3 MET N N 15 119.908 0.20 . 1 . 21 . . 3 MET N . 19653 1
26 . 1 1 4 4 GLY H H 1 8.438 0.02 . 1 . 24 . . 4 GLY H . 19653 1
27 . 1 1 4 4 GLY HA2 H 1 3.980 0.02 . 1 . 26 . . 4 GLY HA2 . 19653 1
28 . 1 1 4 4 GLY HA3 H 1 3.980 0.02 . 1 . 25 . . 4 GLY HA3 . 19653 1
29 . 1 1 4 4 GLY C C 13 174.058 0.20 . 1 . 22 . . 4 GLY C . 19653 1
30 . 1 1 4 4 GLY CA C 13 45.021 0.20 . 1 . 23 . . 4 GLY CA . 19653 1
31 . 1 1 4 4 GLY N N 15 110.486 0.20 . 1 . 27 . . 4 GLY N . 19653 1
32 . 1 1 5 5 SER H H 1 8.243 0.02 . 1 . 31 . . 5 SER H . 19653 1
33 . 1 1 5 5 SER HA H 1 4.427 0.02 . 1 . 32 . . 5 SER HA . 19653 1
34 . 1 1 5 5 SER HB2 H 1 3.850 0.02 . 2 . 34 . . 5 SER HB2 . 19653 1
35 . 1 1 5 5 SER HB3 H 1 3.895 0.02 . 2 . 33 . . 5 SER HB3 . 19653 1
36 . 1 1 5 5 SER C C 13 174.708 0.20 . 1 . 28 . . 5 SER C . 19653 1
37 . 1 1 5 5 SER CA C 13 58.333 0.20 . 1 . 29 . . 5 SER CA . 19653 1
38 . 1 1 5 5 SER CB C 13 63.750 0.20 . 1 . 30 . . 5 SER CB . 19653 1
39 . 1 1 5 5 SER N N 15 115.804 0.20 . 1 . 35 . . 5 SER N . 19653 1
40 . 1 1 6 6 ARG H H 1 8.431 0.02 . 1 . 41 . . 6 ARG H . 19653 1
41 . 1 1 6 6 ARG HA H 1 4.306 0.02 . 1 . 42 . . 6 ARG HA . 19653 1
42 . 1 1 6 6 ARG HB2 H 1 1.775 0.02 . 2 . 44 . . 6 ARG HB2 . 19653 1
43 . 1 1 6 6 ARG HB3 H 1 1.870 0.02 . 2 . 43 . . 6 ARG HB3 . 19653 1
44 . 1 1 6 6 ARG HG2 H 1 1.654 0.02 . 2 . 48 . . 6 ARG HG2 . 19653 1
45 . 1 1 6 6 ARG HG3 H 1 1.594 0.02 . 2 . 47 . . 6 ARG HG3 . 19653 1
46 . 1 1 6 6 ARG HD2 H 1 3.193 0.02 . 1 . 46 . . 6 ARG HD2 . 19653 1
47 . 1 1 6 6 ARG HD3 H 1 3.193 0.02 . 1 . 45 . . 6 ARG HD3 . 19653 1
48 . 1 1 6 6 ARG C C 13 176.052 0.20 . 1 . 36 . . 6 ARG C . 19653 1
49 . 1 1 6 6 ARG CA C 13 56.401 0.20 . 1 . 37 . . 6 ARG CA . 19653 1
50 . 1 1 6 6 ARG CB C 13 30.618 0.20 . 1 . 38 . . 6 ARG CB . 19653 1
51 . 1 1 6 6 ARG CG C 13 27.119 0.20 . 1 . 40 . . 6 ARG CG . 19653 1
52 . 1 1 6 6 ARG CD C 13 43.133 0.20 . 1 . 39 . . 6 ARG CD . 19653 1
53 . 1 1 6 6 ARG N N 15 122.821 0.20 . 1 . 49 . . 6 ARG N . 19653 1
54 . 1 1 7 7 ASP H H 1 8.416 0.02 . 1 . 53 . . 7 ASP H . 19653 1
55 . 1 1 7 7 ASP HA H 1 4.657 0.02 . 1 . 54 . . 7 ASP HA . 19653 1
56 . 1 1 7 7 ASP HB2 H 1 2.822 0.02 . 2 . 56 . . 7 ASP HB2 . 19653 1
57 . 1 1 7 7 ASP HB3 H 1 2.656 0.02 . 2 . 55 . . 7 ASP HB3 . 19653 1
58 . 1 1 7 7 ASP C C 13 177.420 0.20 . 1 . 50 . . 7 ASP C . 19653 1
59 . 1 1 7 7 ASP CA C 13 54.834 0.20 . 1 . 51 . . 7 ASP CA . 19653 1
60 . 1 1 7 7 ASP CB C 13 41.053 0.20 . 1 . 52 . . 7 ASP CB . 19653 1
61 . 1 1 7 7 ASP N N 15 121.339 0.20 . 1 . 57 . . 7 ASP N . 19653 1
62 . 1 1 8 8 THR H H 1 8.085 0.02 . 1 . 62 . . 8 THR H . 19653 1
63 . 1 1 8 8 THR HA H 1 4.649 0.02 . 1 . 63 . . 8 THR HA . 19653 1
64 . 1 1 8 8 THR HB H 1 4.634 0.02 . 1 . 64 . . 8 THR HB . 19653 1
65 . 1 1 8 8 THR HG21 H 1 1.079 0.02 . 1 . 65 . . 8 THR HG21 . 19653 1
66 . 1 1 8 8 THR HG22 H 1 1.079 0.02 . 1 . 65 . . 8 THR HG22 . 19653 1
67 . 1 1 8 8 THR HG23 H 1 1.079 0.02 . 1 . 65 . . 8 THR HG23 . 19653 1
68 . 1 1 8 8 THR C C 13 175.552 0.20 . 1 . 58 . . 8 THR C . 19653 1
69 . 1 1 8 8 THR CA C 13 60.867 0.20 . 1 . 59 . . 8 THR CA . 19653 1
70 . 1 1 8 8 THR CB C 13 68.802 0.20 . 1 . 60 . . 8 THR CB . 19653 1
71 . 1 1 8 8 THR CG2 C 13 21.146 0.20 . 1 . 61 . . 8 THR CG2 . 19653 1
72 . 1 1 8 8 THR N N 15 112.944 0.20 . 1 . 66 . . 8 THR N . 19653 1
73 . 1 1 9 9 MET H H 1 8.057 0.02 . 1 . 72 . . 9 MET H . 19653 1
74 . 1 1 9 9 MET HA H 1 3.759 0.02 . 1 . 73 . . 9 MET HA . 19653 1
75 . 1 1 9 9 MET HB2 H 1 1.794 0.02 . 2 . 75 . . 9 MET HB2 . 19653 1
76 . 1 1 9 9 MET HB3 H 1 1.291 0.02 . 2 . 74 . . 9 MET HB3 . 19653 1
77 . 1 1 9 9 MET HG2 H 1 1.280 0.02 . 2 . 78 . . 9 MET HG2 . 19653 1
78 . 1 1 9 9 MET HG3 H 1 0.927 0.02 . 2 . 77 . . 9 MET HG3 . 19653 1
79 . 1 1 9 9 MET HE1 H 1 1.494 0.02 . 1 . 76 . . 9 MET HE1 . 19653 1
80 . 1 1 9 9 MET HE2 H 1 1.494 0.02 . 1 . 76 . . 9 MET HE2 . 19653 1
81 . 1 1 9 9 MET HE3 H 1 1.494 0.02 . 1 . 76 . . 9 MET HE3 . 19653 1
82 . 1 1 9 9 MET C C 13 177.088 0.20 . 1 . 67 . . 9 MET C . 19653 1
83 . 1 1 9 9 MET CA C 13 60.102 0.20 . 1 . 68 . . 9 MET CA . 19653 1
84 . 1 1 9 9 MET CB C 13 32.747 0.20 . 1 . 69 . . 9 MET CB . 19653 1
85 . 1 1 9 9 MET CG C 13 30.906 0.20 . 1 . 71 . . 9 MET CG . 19653 1
86 . 1 1 9 9 MET CE C 13 16.492 0.20 . 1 . 70 . . 9 MET CE . 19653 1
87 . 1 1 9 9 MET N N 15 123.702 0.20 . 1 . 79 . . 9 MET N . 19653 1
88 . 1 1 10 10 PHE H H 1 8.447 0.02 . 1 . 85 . . 10 PHE H . 19653 1
89 . 1 1 10 10 PHE HA H 1 4.962 0.02 . 1 . 86 . . 10 PHE HA . 19653 1
90 . 1 1 10 10 PHE HB2 H 1 3.526 0.02 . 2 . 88 . . 10 PHE HB2 . 19653 1
91 . 1 1 10 10 PHE HB3 H 1 2.747 0.02 . 2 . 87 . . 10 PHE HB3 . 19653 1
92 . 1 1 10 10 PHE HD1 H 1 7.222 0.02 . 3 . 89 . . 10 PHE HD1 . 19653 1
93 . 1 1 10 10 PHE HD2 H 1 7.222 0.02 . 3 . 90 . . 10 PHE HD2 . 19653 1
94 . 1 1 10 10 PHE HE1 H 1 7.313 0.02 . 3 . 91 . . 10 PHE HE1 . 19653 1
95 . 1 1 10 10 PHE HE2 H 1 7.313 0.02 . 3 . 92 . . 10 PHE HE2 . 19653 1
96 . 1 1 10 10 PHE HZ H 1 7.248 0.02 . 1 . 93 . . 10 PHE HZ . 19653 1
97 . 1 1 10 10 PHE C C 13 174.548 0.20 . 1 . 80 . . 10 PHE C . 19653 1
98 . 1 1 10 10 PHE CA C 13 57.824 0.20 . 1 . 81 . . 10 PHE CA . 19653 1
99 . 1 1 10 10 PHE CB C 13 39.100 0.20 . 1 . 82 . . 10 PHE CB . 19653 1
100 . 1 1 10 10 PHE CD1 C 13 130.064 0.20 . 3 . 83 . . 10 PHE CD1 . 19653 1
101 . 1 1 10 10 PHE CD2 C 13 130.064 0.20 . 3 . 84 . . 10 PHE CD2 . 19653 1
102 . 1 1 10 10 PHE N N 15 111.454 0.20 . 1 . 94 . . 10 PHE N . 19653 1
103 . 1 1 11 11 THR H H 1 7.453 0.02 . 1 . 99 . . 11 THR H . 19653 1
104 . 1 1 11 11 THR HA H 1 4.415 0.02 . 1 . 100 . . 11 THR HA . 19653 1
105 . 1 1 11 11 THR HB H 1 4.586 0.02 . 1 . 101 . . 11 THR HB . 19653 1
106 . 1 1 11 11 THR HG21 H 1 0.801 0.02 . 1 . 102 . . 11 THR HG21 . 19653 1
107 . 1 1 11 11 THR HG22 H 1 0.801 0.02 . 1 . 102 . . 11 THR HG22 . 19653 1
108 . 1 1 11 11 THR HG23 H 1 0.801 0.02 . 1 . 102 . . 11 THR HG23 . 19653 1
109 . 1 1 11 11 THR C C 13 173.920 0.20 . 1 . 95 . . 11 THR C . 19653 1
110 . 1 1 11 11 THR CA C 13 61.204 0.20 . 1 . 96 . . 11 THR CA . 19653 1
111 . 1 1 11 11 THR CB C 13 69.741 0.20 . 1 . 97 . . 11 THR CB . 19653 1
112 . 1 1 11 11 THR CG2 C 13 22.236 0.20 . 1 . 98 . . 11 THR CG2 . 19653 1
113 . 1 1 11 11 THR N N 15 105.057 0.20 . 1 . 103 . . 11 THR N . 19653 1
114 . 1 1 12 12 LYS H H 1 7.899 0.02 . 1 . 110 . . 12 LYS H . 19653 1
115 . 1 1 12 12 LYS HA H 1 4.967 0.02 . 1 . 111 . . 12 LYS HA . 19653 1
116 . 1 1 12 12 LYS HB2 H 1 2.051 0.02 . 2 . 113 . . 12 LYS HB2 . 19653 1
117 . 1 1 12 12 LYS HB3 H 1 1.787 0.02 . 2 . 112 . . 12 LYS HB3 . 19653 1
118 . 1 1 12 12 LYS HG2 H 1 1.385 0.02 . 2 . 119 . . 12 LYS HG2 . 19653 1
119 . 1 1 12 12 LYS HG3 H 1 0.970 0.02 . 2 . 118 . . 12 LYS HG3 . 19653 1
120 . 1 1 12 12 LYS HD2 H 1 1.616 0.02 . 2 . 115 . . 12 LYS HD2 . 19653 1
121 . 1 1 12 12 LYS HD3 H 1 1.522 0.02 . 2 . 114 . . 12 LYS HD3 . 19653 1
122 . 1 1 12 12 LYS HE2 H 1 2.261 0.02 . 2 . 117 . . 12 LYS HE2 . 19653 1
123 . 1 1 12 12 LYS HE3 H 1 2.778 0.02 . 2 . 116 . . 12 LYS HE3 . 19653 1
124 . 1 1 12 12 LYS C C 13 175.093 0.20 . 1 . 104 . . 12 LYS C . 19653 1
125 . 1 1 12 12 LYS CA C 13 56.781 0.20 . 1 . 105 . . 12 LYS CA . 19653 1
126 . 1 1 12 12 LYS CB C 13 34.156 0.20 . 1 . 106 . . 12 LYS CB . 19653 1
127 . 1 1 12 12 LYS CG C 13 25.381 0.20 . 1 . 109 . . 12 LYS CG . 19653 1
128 . 1 1 12 12 LYS CD C 13 30.136 0.20 . 1 . 107 . . 12 LYS CD . 19653 1
129 . 1 1 12 12 LYS CE C 13 41.533 0.20 . 1 . 108 . . 12 LYS CE . 19653 1
130 . 1 1 12 12 LYS N N 15 122.667 0.20 . 1 . 120 . . 12 LYS N . 19653 1
131 . 1 1 13 13 ILE H H 1 10.071 0.02 . 1 . 127 . . 13 ILE H . 19653 1
132 . 1 1 13 13 ILE HA H 1 4.211 0.02 . 1 . 128 . . 13 ILE HA . 19653 1
133 . 1 1 13 13 ILE HB H 1 1.893 0.02 . 1 . 129 . . 13 ILE HB . 19653 1
134 . 1 1 13 13 ILE HG12 H 1 0.534 0.02 . 2 . 132 . . 13 ILE HG12 . 19653 1
135 . 1 1 13 13 ILE HG13 H 1 1.727 0.02 . 2 . 131 . . 13 ILE HG13 . 19653 1
136 . 1 1 13 13 ILE HG21 H 1 0.686 0.02 . 1 . 133 . . 13 ILE HG21 . 19653 1
137 . 1 1 13 13 ILE HG22 H 1 0.686 0.02 . 1 . 133 . . 13 ILE HG22 . 19653 1
138 . 1 1 13 13 ILE HG23 H 1 0.686 0.02 . 1 . 133 . . 13 ILE HG23 . 19653 1
139 . 1 1 13 13 ILE HD11 H 1 0.707 0.02 . 1 . 130 . . 13 ILE HD11 . 19653 1
140 . 1 1 13 13 ILE HD12 H 1 0.707 0.02 . 1 . 130 . . 13 ILE HD12 . 19653 1
141 . 1 1 13 13 ILE HD13 H 1 0.707 0.02 . 1 . 130 . . 13 ILE HD13 . 19653 1
142 . 1 1 13 13 ILE C C 13 175.338 0.20 . 1 . 121 . . 13 ILE C . 19653 1
143 . 1 1 13 13 ILE CA C 13 61.995 0.20 . 1 . 122 . . 13 ILE CA . 19653 1
144 . 1 1 13 13 ILE CB C 13 40.975 0.20 . 1 . 123 . . 13 ILE CB . 19653 1
145 . 1 1 13 13 ILE CG1 C 13 28.300 0.20 . 1 . 125 . . 13 ILE CG1 . 19653 1
146 . 1 1 13 13 ILE CG2 C 13 18.580 0.20 . 1 . 126 . . 13 ILE CG2 . 19653 1
147 . 1 1 13 13 ILE CD1 C 13 15.776 0.20 . 1 . 124 . . 13 ILE CD1 . 19653 1
148 . 1 1 13 13 ILE N N 15 133.408 0.20 . 1 . 134 . . 13 ILE N . 19653 1
149 . 1 1 14 14 PHE H H 1 9.268 0.02 . 1 . 143 . . 14 PHE H . 19653 1
150 . 1 1 14 14 PHE HA H 1 4.614 0.02 . 1 . 144 . . 14 PHE HA . 19653 1
151 . 1 1 14 14 PHE HB2 H 1 2.808 0.02 . 2 . 146 . . 14 PHE HB2 . 19653 1
152 . 1 1 14 14 PHE HB3 H 1 2.641 0.02 . 2 . 145 . . 14 PHE HB3 . 19653 1
153 . 1 1 14 14 PHE HD1 H 1 6.677 0.02 . 3 . 147 . . 14 PHE HD1 . 19653 1
154 . 1 1 14 14 PHE HD2 H 1 6.677 0.02 . 3 . 148 . . 14 PHE HD2 . 19653 1
155 . 1 1 14 14 PHE HE1 H 1 6.393 0.02 . 3 . 149 . . 14 PHE HE1 . 19653 1
156 . 1 1 14 14 PHE HE2 H 1 6.393 0.02 . 3 . 150 . . 14 PHE HE2 . 19653 1
157 . 1 1 14 14 PHE HZ H 1 5.401 0.02 . 1 . 151 . . 14 PHE HZ . 19653 1
158 . 1 1 14 14 PHE C C 13 171.522 0.20 . 1 . 135 . . 14 PHE C . 19653 1
159 . 1 1 14 14 PHE CA C 13 57.724 0.20 . 1 . 136 . . 14 PHE CA . 19653 1
160 . 1 1 14 14 PHE CB C 13 41.182 0.20 . 1 . 137 . . 14 PHE CB . 19653 1
161 . 1 1 14 14 PHE CD1 C 13 131.110 0.20 . 3 . 138 . . 14 PHE CD1 . 19653 1
162 . 1 1 14 14 PHE CD2 C 13 131.110 0.20 . 3 . 139 . . 14 PHE CD2 . 19653 1
163 . 1 1 14 14 PHE CE1 C 13 130.760 0.20 . 3 . 140 . . 14 PHE CE1 . 19653 1
164 . 1 1 14 14 PHE CE2 C 13 130.760 0.20 . 3 . 141 . . 14 PHE CE2 . 19653 1
165 . 1 1 14 14 PHE CZ C 13 127.006 0.20 . 1 . 142 . . 14 PHE CZ . 19653 1
166 . 1 1 14 14 PHE N N 15 127.594 0.20 . 1 . 152 . . 14 PHE N . 19653 1
167 . 1 1 15 15 VAL H H 1 7.539 0.02 . 1 . 158 . . 15 VAL H . 19653 1
168 . 1 1 15 15 VAL HA H 1 4.380 0.02 . 1 . 159 . . 15 VAL HA . 19653 1
169 . 1 1 15 15 VAL HB H 1 1.454 0.02 . 1 . 160 . . 15 VAL HB . 19653 1
170 . 1 1 15 15 VAL HG11 H 1 0.684 0.02 . 1 . 161 . . 15 VAL HG11 . 19653 1
171 . 1 1 15 15 VAL HG12 H 1 0.684 0.02 . 1 . 161 . . 15 VAL HG12 . 19653 1
172 . 1 1 15 15 VAL HG13 H 1 0.684 0.02 . 1 . 161 . . 15 VAL HG13 . 19653 1
173 . 1 1 15 15 VAL HG21 H 1 0.601 0.02 . 1 . 162 . . 15 VAL HG21 . 19653 1
174 . 1 1 15 15 VAL HG22 H 1 0.601 0.02 . 1 . 162 . . 15 VAL HG22 . 19653 1
175 . 1 1 15 15 VAL HG23 H 1 0.601 0.02 . 1 . 162 . . 15 VAL HG23 . 19653 1
176 . 1 1 15 15 VAL C C 13 173.131 0.20 . 1 . 153 . . 15 VAL C . 19653 1
177 . 1 1 15 15 VAL CA C 13 59.779 0.20 . 1 . 154 . . 15 VAL CA . 19653 1
178 . 1 1 15 15 VAL CB C 13 32.112 0.20 . 1 . 155 . . 15 VAL CB . 19653 1
179 . 1 1 15 15 VAL CG1 C 13 21.916 0.20 . 1 . 156 . . 15 VAL CG1 . 19653 1
180 . 1 1 15 15 VAL CG2 C 13 21.461 0.20 . 1 . 157 . . 15 VAL CG2 . 19653 1
181 . 1 1 15 15 VAL N N 15 127.148 0.20 . 1 . 163 . . 15 VAL N . 19653 1
182 . 1 1 16 16 GLY H H 1 9.012 0.02 . 1 . 164 . . 16 GLY H . 19653 1
183 . 1 1 16 16 GLY HA2 H 1 4.210 0.02 . 2 . 166 . . 16 GLY HA2 . 19653 1
184 . 1 1 16 16 GLY HA3 H 1 3.737 0.02 . 2 . 165 . . 16 GLY HA3 . 19653 1
185 . 1 1 16 16 GLY N N 15 112.807 0.20 . 1 . 167 . . 16 GLY N . 19653 1
186 . 1 1 17 17 GLY HA2 H 1 3.973 0.02 . 2 . 171 . . 17 GLY HA2 . 19653 1
187 . 1 1 17 17 GLY HA3 H 1 4.044 0.02 . 2 . 170 . . 17 GLY HA3 . 19653 1
188 . 1 1 17 17 GLY C C 13 173.304 0.20 . 1 . 168 . . 17 GLY C . 19653 1
189 . 1 1 17 17 GLY CA C 13 46.490 0.20 . 1 . 169 . . 17 GLY CA . 19653 1
190 . 1 1 18 18 LEU H H 1 7.696 0.02 . 1 . 177 . . 18 LEU H . 19653 1
191 . 1 1 18 18 LEU HA H 1 4.321 0.02 . 1 . 178 . . 18 LEU HA . 19653 1
192 . 1 1 18 18 LEU HB2 H 1 0.944 0.02 . 2 . 180 . . 18 LEU HB2 . 19653 1
193 . 1 1 18 18 LEU HB3 H 1 1.193 0.02 . 2 . 179 . . 18 LEU HB3 . 19653 1
194 . 1 1 18 18 LEU HG H 1 1.273 0.02 . 1 . 183 . . 18 LEU HG . 19653 1
195 . 1 1 18 18 LEU HD11 H 1 0.451 0.02 . 1 . 181 . . 18 LEU HD11 . 19653 1
196 . 1 1 18 18 LEU HD12 H 1 0.451 0.02 . 1 . 181 . . 18 LEU HD12 . 19653 1
197 . 1 1 18 18 LEU HD13 H 1 0.451 0.02 . 1 . 181 . . 18 LEU HD13 . 19653 1
198 . 1 1 18 18 LEU HD21 H 1 0.665 0.02 . 1 . 182 . . 18 LEU HD21 . 19653 1
199 . 1 1 18 18 LEU HD22 H 1 0.665 0.02 . 1 . 182 . . 18 LEU HD22 . 19653 1
200 . 1 1 18 18 LEU HD23 H 1 0.665 0.02 . 1 . 182 . . 18 LEU HD23 . 19653 1
201 . 1 1 18 18 LEU CA C 13 52.339 0.20 . 1 . 172 . . 18 LEU CA . 19653 1
202 . 1 1 18 18 LEU CB C 13 41.849 0.20 . 1 . 173 . . 18 LEU CB . 19653 1
203 . 1 1 18 18 LEU CG C 13 26.430 0.20 . 1 . 176 . . 18 LEU CG . 19653 1
204 . 1 1 18 18 LEU CD1 C 13 25.861 0.20 . 1 . 174 . . 18 LEU CD1 . 19653 1
205 . 1 1 18 18 LEU CD2 C 13 23.027 0.20 . 1 . 175 . . 18 LEU CD2 . 19653 1
206 . 1 1 18 18 LEU N N 15 117.687 0.20 . 1 . 184 . . 18 LEU N . 19653 1
207 . 1 1 19 19 PRO HA H 1 4.611 0.02 . 1 . 190 . . 19 PRO HA . 19653 1
208 . 1 1 19 19 PRO HB2 H 1 1.622 0.02 . 2 . 192 . . 19 PRO HB2 . 19653 1
209 . 1 1 19 19 PRO HB3 H 1 2.058 0.02 . 2 . 191 . . 19 PRO HB3 . 19653 1
210 . 1 1 19 19 PRO HG2 H 1 1.809 0.02 . 2 . 196 . . 19 PRO HG2 . 19653 1
211 . 1 1 19 19 PRO HG3 H 1 2.229 0.02 . 2 . 195 . . 19 PRO HG3 . 19653 1
212 . 1 1 19 19 PRO HD2 H 1 3.886 0.02 . 2 . 194 . . 19 PRO HD2 . 19653 1
213 . 1 1 19 19 PRO HD3 H 1 3.803 0.02 . 2 . 193 . . 19 PRO HD3 . 19653 1
214 . 1 1 19 19 PRO C C 13 178.816 0.20 . 1 . 185 . . 19 PRO C . 19653 1
215 . 1 1 19 19 PRO CA C 13 62.356 0.20 . 1 . 186 . . 19 PRO CA . 19653 1
216 . 1 1 19 19 PRO CB C 13 31.219 0.20 . 1 . 187 . . 19 PRO CB . 19653 1
217 . 1 1 19 19 PRO CG C 13 28.211 0.20 . 1 . 189 . . 19 PRO CG . 19653 1
218 . 1 1 19 19 PRO CD C 13 50.162 0.20 . 1 . 188 . . 19 PRO CD . 19653 1
219 . 1 1 20 20 TYR H H 1 8.303 0.02 . 1 . 204 . . 20 TYR H . 19653 1
220 . 1 1 20 20 TYR HA H 1 4.241 0.02 . 1 . 205 . . 20 TYR HA . 19653 1
221 . 1 1 20 20 TYR HB2 H 1 2.832 0.02 . 2 . 207 . . 20 TYR HB2 . 19653 1
222 . 1 1 20 20 TYR HB3 H 1 3.263 0.02 . 2 . 206 . . 20 TYR HB3 . 19653 1
223 . 1 1 20 20 TYR HD1 H 1 6.825 0.02 . 3 . 208 . . 20 TYR HD1 . 19653 1
224 . 1 1 20 20 TYR HD2 H 1 6.825 0.02 . 3 . 209 . . 20 TYR HD2 . 19653 1
225 . 1 1 20 20 TYR HE1 H 1 6.024 0.02 . 3 . 210 . . 20 TYR HE1 . 19653 1
226 . 1 1 20 20 TYR HE2 H 1 6.024 0.02 . 3 . 211 . . 20 TYR HE2 . 19653 1
227 . 1 1 20 20 TYR C C 13 174.097 0.20 . 1 . 197 . . 20 TYR C . 19653 1
228 . 1 1 20 20 TYR CA C 13 60.444 0.20 . 1 . 198 . . 20 TYR CA . 19653 1
229 . 1 1 20 20 TYR CB C 13 36.924 0.20 . 1 . 199 . . 20 TYR CB . 19653 1
230 . 1 1 20 20 TYR CD1 C 13 131.510 0.20 . 3 . 200 . . 20 TYR CD1 . 19653 1
231 . 1 1 20 20 TYR CD2 C 13 131.510 0.20 . 3 . 201 . . 20 TYR CD2 . 19653 1
232 . 1 1 20 20 TYR CE1 C 13 116.939 0.20 . 3 . 202 . . 20 TYR CE1 . 19653 1
233 . 1 1 20 20 TYR CE2 C 13 116.939 0.20 . 3 . 203 . . 20 TYR CE2 . 19653 1
234 . 1 1 20 20 TYR N N 15 122.611 0.20 . 1 . 212 . . 20 TYR N . 19653 1
235 . 1 1 21 21 HIS H H 1 7.428 0.02 . 1 . 218 . . 21 HIS H . 19653 1
236 . 1 1 21 21 HIS HA H 1 4.794 0.02 . 1 . 219 . . 21 HIS HA . 19653 1
237 . 1 1 21 21 HIS HB2 H 1 3.442 0.02 . 2 . 221 . . 21 HIS HB2 . 19653 1
238 . 1 1 21 21 HIS HB3 H 1 3.064 0.02 . 2 . 220 . . 21 HIS HB3 . 19653 1
239 . 1 1 21 21 HIS HD2 H 1 7.108 0.02 . 1 . 222 . . 21 HIS HD2 . 19653 1
240 . 1 1 21 21 HIS HE1 H 1 8.079 0.02 . 1 . 223 . . 21 HIS HE1 . 19653 1
241 . 1 1 21 21 HIS C C 13 176.164 0.20 . 1 . 213 . . 21 HIS C . 19653 1
242 . 1 1 21 21 HIS CA C 13 55.615 0.20 . 1 . 214 . . 21 HIS CA . 19653 1
243 . 1 1 21 21 HIS CB C 13 29.963 0.20 . 1 . 215 . . 21 HIS CB . 19653 1
244 . 1 1 21 21 HIS CD2 C 13 118.838 0.20 . 1 . 216 . . 21 HIS CD2 . 19653 1
245 . 1 1 21 21 HIS CE1 C 13 138.787 0.20 . 1 . 217 . . 21 HIS CE1 . 19653 1
246 . 1 1 21 21 HIS N N 15 110.850 0.20 . 1 . 224 . . 21 HIS N . 19653 1
247 . 1 1 22 22 THR H H 1 7.285 0.02 . 1 . 229 . . 22 THR H . 19653 1
248 . 1 1 22 22 THR HA H 1 4.031 0.02 . 1 . 230 . . 22 THR HA . 19653 1
249 . 1 1 22 22 THR HB H 1 3.740 0.02 . 1 . 231 . . 22 THR HB . 19653 1
250 . 1 1 22 22 THR HG21 H 1 1.142 0.02 . 1 . 232 . . 22 THR HG21 . 19653 1
251 . 1 1 22 22 THR HG22 H 1 1.142 0.02 . 1 . 232 . . 22 THR HG22 . 19653 1
252 . 1 1 22 22 THR HG23 H 1 1.142 0.02 . 1 . 232 . . 22 THR HG23 . 19653 1
253 . 1 1 22 22 THR C C 13 173.927 0.20 . 1 . 225 . . 22 THR C . 19653 1
254 . 1 1 22 22 THR CA C 13 66.058 0.20 . 1 . 226 . . 22 THR CA . 19653 1
255 . 1 1 22 22 THR CB C 13 67.590 0.20 . 1 . 227 . . 22 THR CB . 19653 1
256 . 1 1 22 22 THR CG2 C 13 22.928 0.20 . 1 . 228 . . 22 THR CG2 . 19653 1
257 . 1 1 22 22 THR N N 15 123.372 0.20 . 1 . 233 . . 22 THR N . 19653 1
258 . 1 1 23 23 SER H H 1 8.416 0.02 . 1 . 237 . . 23 SER H . 19653 1
259 . 1 1 23 23 SER HA H 1 4.832 0.02 . 1 . 238 . . 23 SER HA . 19653 1
260 . 1 1 23 23 SER HB2 H 1 4.437 0.02 . 2 . 240 . . 23 SER HB2 . 19653 1
261 . 1 1 23 23 SER HB3 H 1 3.995 0.02 . 2 . 239 . . 23 SER HB3 . 19653 1
262 . 1 1 23 23 SER C C 13 174.301 0.20 . 1 . 234 . . 23 SER C . 19653 1
263 . 1 1 23 23 SER CA C 13 55.626 0.20 . 1 . 235 . . 23 SER CA . 19653 1
264 . 1 1 23 23 SER CB C 13 67.563 0.20 . 1 . 236 . . 23 SER CB . 19653 1
265 . 1 1 23 23 SER N N 15 123.813 0.20 . 1 . 241 . . 23 SER N . 19653 1
266 . 1 1 24 24 ASP H H 1 8.711 0.02 . 1 . 245 . . 24 ASP H . 19653 1
267 . 1 1 24 24 ASP HA H 1 4.062 0.02 . 1 . 246 . . 24 ASP HA . 19653 1
268 . 1 1 24 24 ASP HB2 H 1 2.749 0.02 . 2 . 248 . . 24 ASP HB2 . 19653 1
269 . 1 1 24 24 ASP HB3 H 1 2.995 0.02 . 2 . 247 . . 24 ASP HB3 . 19653 1
270 . 1 1 24 24 ASP C C 13 177.917 0.20 . 1 . 242 . . 24 ASP C . 19653 1
271 . 1 1 24 24 ASP CA C 13 58.017 0.20 . 1 . 243 . . 24 ASP CA . 19653 1
272 . 1 1 24 24 ASP CB C 13 39.983 0.20 . 1 . 244 . . 24 ASP CB . 19653 1
273 . 1 1 24 24 ASP N N 15 119.721 0.20 . 1 . 249 . . 24 ASP N . 19653 1
274 . 1 1 25 25 LYS H H 1 7.953 0.02 . 1 . 256 . . 25 LYS H . 19653 1
275 . 1 1 25 25 LYS HA H 1 4.158 0.02 . 1 . 257 . . 25 LYS HA . 19653 1
276 . 1 1 25 25 LYS HB2 H 1 1.912 0.02 . 2 . 259 . . 25 LYS HB2 . 19653 1
277 . 1 1 25 25 LYS HB3 H 1 1.815 0.02 . 2 . 258 . . 25 LYS HB3 . 19653 1
278 . 1 1 25 25 LYS HG2 H 1 1.442 0.02 . 2 . 265 . . 25 LYS HG2 . 19653 1
279 . 1 1 25 25 LYS HG3 H 1 1.379 0.02 . 2 . 264 . . 25 LYS HG3 . 19653 1
280 . 1 1 25 25 LYS HD2 H 1 1.727 0.02 . 2 . 261 . . 25 LYS HD2 . 19653 1
281 . 1 1 25 25 LYS HD3 H 1 1.645 0.02 . 2 . 260 . . 25 LYS HD3 . 19653 1
282 . 1 1 25 25 LYS HE2 H 1 2.990 0.02 . 1 . 263 . . 25 LYS HE2 . 19653 1
283 . 1 1 25 25 LYS HE3 H 1 2.990 0.02 . 1 . 262 . . 25 LYS HE3 . 19653 1
284 . 1 1 25 25 LYS C C 13 178.365 0.20 . 1 . 250 . . 25 LYS C . 19653 1
285 . 1 1 25 25 LYS CA C 13 59.469 0.20 . 1 . 251 . . 25 LYS CA . 19653 1
286 . 1 1 25 25 LYS CB C 13 32.692 0.20 . 1 . 252 . . 25 LYS CB . 19653 1
287 . 1 1 25 25 LYS CG C 13 24.548 0.20 . 1 . 255 . . 25 LYS CG . 19653 1
288 . 1 1 25 25 LYS CD C 13 29.271 0.20 . 1 . 253 . . 25 LYS CD . 19653 1
289 . 1 1 25 25 LYS CE C 13 41.856 0.20 . 1 . 254 . . 25 LYS CE . 19653 1
290 . 1 1 25 25 LYS N N 15 118.583 0.20 . 1 . 266 . . 25 LYS N . 19653 1
291 . 1 1 26 26 THR H H 1 7.877 0.02 . 1 . 271 . . 26 THR H . 19653 1
292 . 1 1 26 26 THR HA H 1 4.179 0.02 . 1 . 272 . . 26 THR HA . 19653 1
293 . 1 1 26 26 THR HB H 1 4.489 0.02 . 1 . 273 . . 26 THR HB . 19653 1
294 . 1 1 26 26 THR HG21 H 1 1.276 0.02 . 1 . 274 . . 26 THR HG21 . 19653 1
295 . 1 1 26 26 THR HG22 H 1 1.276 0.02 . 1 . 274 . . 26 THR HG22 . 19653 1
296 . 1 1 26 26 THR HG23 H 1 1.276 0.02 . 1 . 274 . . 26 THR HG23 . 19653 1
297 . 1 1 26 26 THR C C 13 177.657 0.20 . 1 . 267 . . 26 THR C . 19653 1
298 . 1 1 26 26 THR CA C 13 65.898 0.20 . 1 . 268 . . 26 THR CA . 19653 1
299 . 1 1 26 26 THR CB C 13 67.292 0.20 . 1 . 269 . . 26 THR CB . 19653 1
300 . 1 1 26 26 THR CG2 C 13 22.796 0.20 . 1 . 270 . . 26 THR CG2 . 19653 1
301 . 1 1 26 26 THR N N 15 115.926 0.20 . 1 . 275 . . 26 THR N . 19653 1
302 . 1 1 27 27 LEU H H 1 8.266 0.02 . 1 . 282 . . 27 LEU H . 19653 1
303 . 1 1 27 27 LEU HA H 1 4.145 0.02 . 1 . 283 . . 27 LEU HA . 19653 1
304 . 1 1 27 27 LEU HB2 H 1 1.322 0.02 . 2 . 285 . . 27 LEU HB2 . 19653 1
305 . 1 1 27 27 LEU HB3 H 1 1.926 0.02 . 2 . 284 . . 27 LEU HB3 . 19653 1
306 . 1 1 27 27 LEU HG H 1 1.480 0.02 . 1 . 288 . . 27 LEU HG . 19653 1
307 . 1 1 27 27 LEU HD11 H 1 0.551 0.02 . 1 . 286 . . 27 LEU HD11 . 19653 1
308 . 1 1 27 27 LEU HD12 H 1 0.551 0.02 . 1 . 286 . . 27 LEU HD12 . 19653 1
309 . 1 1 27 27 LEU HD13 H 1 0.551 0.02 . 1 . 286 . . 27 LEU HD13 . 19653 1
310 . 1 1 27 27 LEU HD21 H 1 0.934 0.02 . 1 . 287 . . 27 LEU HD21 . 19653 1
311 . 1 1 27 27 LEU HD22 H 1 0.934 0.02 . 1 . 287 . . 27 LEU HD22 . 19653 1
312 . 1 1 27 27 LEU HD23 H 1 0.934 0.02 . 1 . 287 . . 27 LEU HD23 . 19653 1
313 . 1 1 27 27 LEU C C 13 178.003 0.20 . 1 . 276 . . 27 LEU C . 19653 1
314 . 1 1 27 27 LEU CA C 13 58.391 0.20 . 1 . 277 . . 27 LEU CA . 19653 1
315 . 1 1 27 27 LEU CB C 13 42.459 0.20 . 1 . 278 . . 27 LEU CB . 19653 1
316 . 1 1 27 27 LEU CG C 13 26.885 0.20 . 1 . 281 . . 27 LEU CG . 19653 1
317 . 1 1 27 27 LEU CD1 C 13 26.196 0.20 . 1 . 279 . . 27 LEU CD1 . 19653 1
318 . 1 1 27 27 LEU CD2 C 13 24.870 0.20 . 1 . 280 . . 27 LEU CD2 . 19653 1
319 . 1 1 27 27 LEU N N 15 124.077 0.20 . 1 . 289 . . 27 LEU N . 19653 1
320 . 1 1 28 28 HIS H H 1 8.551 0.02 . 1 . 295 . . 28 HIS H . 19653 1
321 . 1 1 28 28 HIS HA H 1 3.755 0.02 . 1 . 296 . . 28 HIS HA . 19653 1
322 . 1 1 28 28 HIS HB2 H 1 3.582 0.02 . 1 . 298 . . 28 HIS HB2 . 19653 1
323 . 1 1 28 28 HIS HB3 H 1 3.582 0.02 . 1 . 297 . . 28 HIS HB3 . 19653 1
324 . 1 1 28 28 HIS HD2 H 1 7.287 0.02 . 1 . 299 . . 28 HIS HD2 . 19653 1
325 . 1 1 28 28 HIS HE1 H 1 8.495 0.02 . 1 . 300 . . 28 HIS HE1 . 19653 1
326 . 1 1 28 28 HIS C C 13 176.806 0.20 . 1 . 290 . . 28 HIS C . 19653 1
327 . 1 1 28 28 HIS CA C 13 60.424 0.20 . 1 . 291 . . 28 HIS CA . 19653 1
328 . 1 1 28 28 HIS CB C 13 29.175 0.20 . 1 . 292 . . 28 HIS CB . 19653 1
329 . 1 1 28 28 HIS CD2 C 13 120.663 0.20 . 1 . 293 . . 28 HIS CD2 . 19653 1
330 . 1 1 28 28 HIS CE1 C 13 137.651 0.20 . 1 . 294 . . 28 HIS CE1 . 19653 1
331 . 1 1 28 28 HIS N N 15 118.483 0.20 . 1 . 301 . . 28 HIS N . 19653 1
332 . 1 1 29 29 GLU H H 1 8.535 0.02 . 1 . 306 . . 29 GLU H . 19653 1
333 . 1 1 29 29 GLU HA H 1 4.075 0.02 . 1 . 307 . . 29 GLU HA . 19653 1
334 . 1 1 29 29 GLU HB2 H 1 2.269 0.02 . 2 . 309 . . 29 GLU HB2 . 19653 1
335 . 1 1 29 29 GLU HB3 H 1 2.077 0.02 . 2 . 308 . . 29 GLU HB3 . 19653 1
336 . 1 1 29 29 GLU HG2 H 1 2.653 0.02 . 2 . 311 . . 29 GLU HG2 . 19653 1
337 . 1 1 29 29 GLU HG3 H 1 2.332 0.02 . 2 . 310 . . 29 GLU HG3 . 19653 1
338 . 1 1 29 29 GLU C C 13 178.607 0.20 . 1 . 302 . . 29 GLU C . 19653 1
339 . 1 1 29 29 GLU CA C 13 59.103 0.20 . 1 . 303 . . 29 GLU CA . 19653 1
340 . 1 1 29 29 GLU CB C 13 29.683 0.20 . 1 . 304 . . 29 GLU CB . 19653 1
341 . 1 1 29 29 GLU CG C 13 37.071 0.20 . 1 . 305 . . 29 GLU CG . 19653 1
342 . 1 1 29 29 GLU N N 15 115.986 0.20 . 1 . 312 . . 29 GLU N . 19653 1
343 . 1 1 30 30 TYR H H 1 7.817 0.02 . 1 . 320 . . 30 TYR H . 19653 1
344 . 1 1 30 30 TYR HA H 1 4.104 0.02 . 1 . 321 . . 30 TYR HA . 19653 1
345 . 1 1 30 30 TYR HB2 H 1 3.230 0.02 . 2 . 323 . . 30 TYR HB2 . 19653 1
346 . 1 1 30 30 TYR HB3 H 1 2.898 0.02 . 2 . 322 . . 30 TYR HB3 . 19653 1
347 . 1 1 30 30 TYR HD1 H 1 6.342 0.02 . 3 . 324 . . 30 TYR HD1 . 19653 1
348 . 1 1 30 30 TYR HD2 H 1 6.342 0.02 . 3 . 325 . . 30 TYR HD2 . 19653 1
349 . 1 1 30 30 TYR HE1 H 1 6.455 0.02 . 3 . 326 . . 30 TYR HE1 . 19653 1
350 . 1 1 30 30 TYR HE2 H 1 6.455 0.02 . 3 . 327 . . 30 TYR HE2 . 19653 1
351 . 1 1 30 30 TYR C C 13 177.148 0.20 . 1 . 313 . . 30 TYR C . 19653 1
352 . 1 1 30 30 TYR CA C 13 62.606 0.20 . 1 . 314 . . 30 TYR CA . 19653 1
353 . 1 1 30 30 TYR CB C 13 37.896 0.20 . 1 . 315 . . 30 TYR CB . 19653 1
354 . 1 1 30 30 TYR CD1 C 13 132.538 0.20 . 3 . 316 . . 30 TYR CD1 . 19653 1
355 . 1 1 30 30 TYR CD2 C 13 132.538 0.20 . 3 . 317 . . 30 TYR CD2 . 19653 1
356 . 1 1 30 30 TYR CE1 C 13 117.337 0.20 . 3 . 318 . . 30 TYR CE1 . 19653 1
357 . 1 1 30 30 TYR CE2 C 13 117.337 0.20 . 3 . 319 . . 30 TYR CE2 . 19653 1
358 . 1 1 30 30 TYR N N 15 117.658 0.20 . 1 . 328 . . 30 TYR N . 19653 1
359 . 1 1 31 31 PHE H H 1 7.810 0.02 . 1 . 337 . . 31 PHE H . 19653 1
360 . 1 1 31 31 PHE HA H 1 4.318 0.02 . 1 . 338 . . 31 PHE HA . 19653 1
361 . 1 1 31 31 PHE HB2 H 1 3.254 0.02 . 2 . 340 . . 31 PHE HB2 . 19653 1
362 . 1 1 31 31 PHE HB3 H 1 2.874 0.02 . 2 . 339 . . 31 PHE HB3 . 19653 1
363 . 1 1 31 31 PHE HD1 H 1 7.774 0.02 . 3 . 341 . . 31 PHE HD1 . 19653 1
364 . 1 1 31 31 PHE HD2 H 1 7.774 0.02 . 3 . 342 . . 31 PHE HD2 . 19653 1
365 . 1 1 31 31 PHE HE1 H 1 7.300 0.02 . 3 . 343 . . 31 PHE HE1 . 19653 1
366 . 1 1 31 31 PHE HE2 H 1 7.300 0.02 . 3 . 344 . . 31 PHE HE2 . 19653 1
367 . 1 1 31 31 PHE HZ H 1 7.167 0.02 . 1 . 345 . . 31 PHE HZ . 19653 1
368 . 1 1 31 31 PHE C C 13 177.139 0.20 . 1 . 329 . . 31 PHE C . 19653 1
369 . 1 1 31 31 PHE CA C 13 61.954 0.20 . 1 . 330 . . 31 PHE CA . 19653 1
370 . 1 1 31 31 PHE CB C 13 40.226 0.20 . 1 . 331 . . 31 PHE CB . 19653 1
371 . 1 1 31 31 PHE CD1 C 13 132.243 0.20 . 3 . 332 . . 31 PHE CD1 . 19653 1
372 . 1 1 31 31 PHE CD2 C 13 132.243 0.20 . 3 . 333 . . 31 PHE CD2 . 19653 1
373 . 1 1 31 31 PHE CE1 C 13 131.279 0.20 . 3 . 334 . . 31 PHE CE1 . 19653 1
374 . 1 1 31 31 PHE CE2 C 13 131.279 0.20 . 3 . 335 . . 31 PHE CE2 . 19653 1
375 . 1 1 31 31 PHE CZ C 13 129.573 0.20 . 1 . 336 . . 31 PHE CZ . 19653 1
376 . 1 1 31 31 PHE N N 15 113.449 0.20 . 1 . 346 . . 31 PHE N . 19653 1
377 . 1 1 32 32 GLU H H 1 8.427 0.02 . 1 . 351 . . 32 GLU H . 19653 1
378 . 1 1 32 32 GLU HA H 1 4.416 0.02 . 1 . 352 . . 32 GLU HA . 19653 1
379 . 1 1 32 32 GLU HB2 H 1 2.146 0.02 . 2 . 354 . . 32 GLU HB2 . 19653 1
380 . 1 1 32 32 GLU HB3 H 1 2.081 0.02 . 2 . 353 . . 32 GLU HB3 . 19653 1
381 . 1 1 32 32 GLU HG2 H 1 2.626 0.02 . 2 . 356 . . 32 GLU HG2 . 19653 1
382 . 1 1 32 32 GLU HG3 H 1 2.424 0.02 . 2 . 355 . . 32 GLU HG3 . 19653 1
383 . 1 1 32 32 GLU C C 13 177.123 0.20 . 1 . 347 . . 32 GLU C . 19653 1
384 . 1 1 32 32 GLU CA C 13 57.957 0.20 . 1 . 348 . . 32 GLU CA . 19653 1
385 . 1 1 32 32 GLU CB C 13 28.718 0.20 . 1 . 349 . . 32 GLU CB . 19653 1
386 . 1 1 32 32 GLU CG C 13 36.095 0.20 . 1 . 350 . . 32 GLU CG . 19653 1
387 . 1 1 32 32 GLU N N 15 121.162 0.20 . 1 . 357 . . 32 GLU N . 19653 1
388 . 1 1 33 33 GLN H H 1 6.706 0.02 . 1 . 362 . . 33 GLN H . 19653 1
389 . 1 1 33 33 GLN HA H 1 4.081 0.02 . 1 . 363 . . 33 GLN HA . 19653 1
390 . 1 1 33 33 GLN HB2 H 1 1.577 0.02 . 1 . 365 . . 33 GLN HB2 . 19653 1
391 . 1 1 33 33 GLN HB3 H 1 1.577 0.02 . 1 . 364 . . 33 GLN HB3 . 19653 1
392 . 1 1 33 33 GLN HG2 H 1 0.086 0.02 . 1 . 369 . . 33 GLN HG2 . 19653 1
393 . 1 1 33 33 GLN HG3 H 1 1.488 0.02 . 1 . 368 . . 33 GLN HG3 . 19653 1
394 . 1 1 33 33 GLN HE21 H 1 6.758 0.02 . 1 . 366 . . 33 GLN HE21 . 19653 1
395 . 1 1 33 33 GLN HE22 H 1 6.060 0.02 . 1 . 367 . . 33 GLN HE22 . 19653 1
396 . 1 1 33 33 GLN C C 13 175.914 0.20 . 1 . 358 . . 33 GLN C . 19653 1
397 . 1 1 33 33 GLN CA C 13 56.801 0.20 . 1 . 359 . . 33 GLN CA . 19653 1
398 . 1 1 33 33 GLN CB C 13 28.377 0.20 . 1 . 360 . . 33 GLN CB . 19653 1
399 . 1 1 33 33 GLN CG C 13 31.013 0.20 . 1 . 361 . . 33 GLN CG . 19653 1
400 . 1 1 33 33 GLN N N 15 114.346 0.20 . 1 . 370 . . 33 GLN N . 19653 1
401 . 1 1 33 33 GLN NE2 N 15 112.413 0.20 . 1 . 371 . . 33 GLN NE2 . 19653 1
402 . 1 1 34 34 PHE H H 1 7.639 0.02 . 1 . 380 . . 34 PHE H . 19653 1
403 . 1 1 34 34 PHE HA H 1 4.724 0.02 . 1 . 381 . . 34 PHE HA . 19653 1
404 . 1 1 34 34 PHE HB2 H 1 3.668 0.02 . 2 . 383 . . 34 PHE HB2 . 19653 1
405 . 1 1 34 34 PHE HB3 H 1 2.889 0.02 . 2 . 382 . . 34 PHE HB3 . 19653 1
406 . 1 1 34 34 PHE HD1 H 1 7.354 0.02 . 3 . 384 . . 34 PHE HD1 . 19653 1
407 . 1 1 34 34 PHE HD2 H 1 7.354 0.02 . 3 . 385 . . 34 PHE HD2 . 19653 1
408 . 1 1 34 34 PHE HE1 H 1 6.964 0.02 . 3 . 386 . . 34 PHE HE1 . 19653 1
409 . 1 1 34 34 PHE HE2 H 1 6.964 0.02 . 3 . 387 . . 34 PHE HE2 . 19653 1
410 . 1 1 34 34 PHE HZ H 1 7.263 0.02 . 1 . 388 . . 34 PHE HZ . 19653 1
411 . 1 1 34 34 PHE C C 13 174.378 0.20 . 1 . 372 . . 34 PHE C . 19653 1
412 . 1 1 34 34 PHE CA C 13 58.498 0.20 . 1 . 373 . . 34 PHE CA . 19653 1
413 . 1 1 34 34 PHE CB C 13 40.103 0.20 . 1 . 374 . . 34 PHE CB . 19653 1
414 . 1 1 34 34 PHE CD1 C 13 131.505 0.20 . 3 . 375 . . 34 PHE CD1 . 19653 1
415 . 1 1 34 34 PHE CD2 C 13 131.505 0.20 . 3 . 376 . . 34 PHE CD2 . 19653 1
416 . 1 1 34 34 PHE CE1 C 13 131.925 0.20 . 3 . 377 . . 34 PHE CE1 . 19653 1
417 . 1 1 34 34 PHE CE2 C 13 131.925 0.20 . 3 . 378 . . 34 PHE CE2 . 19653 1
418 . 1 1 34 34 PHE CZ C 13 130.345 0.20 . 1 . 379 . . 34 PHE CZ . 19653 1
419 . 1 1 34 34 PHE N N 15 117.707 0.20 . 1 . 389 . . 34 PHE N . 19653 1
420 . 1 1 35 35 GLY H H 1 7.322 0.02 . 1 . 392 . . 35 GLY H . 19653 1
421 . 1 1 35 35 GLY HA2 H 1 3.839 0.02 . 2 . 394 . . 35 GLY HA2 . 19653 1
422 . 1 1 35 35 GLY HA3 H 1 4.589 0.02 . 2 . 393 . . 35 GLY HA3 . 19653 1
423 . 1 1 35 35 GLY C C 13 170.549 0.20 . 1 . 390 . . 35 GLY C . 19653 1
424 . 1 1 35 35 GLY CA C 13 44.094 0.20 . 1 . 391 . . 35 GLY CA . 19653 1
425 . 1 1 35 35 GLY N N 15 105.763 0.20 . 1 . 395 . . 35 GLY N . 19653 1
426 . 1 1 36 36 ASP H H 1 8.215 0.02 . 1 . 399 . . 36 ASP H . 19653 1
427 . 1 1 36 36 ASP HA H 1 4.724 0.02 . 1 . 400 . . 36 ASP HA . 19653 1
428 . 1 1 36 36 ASP HB2 H 1 2.607 0.02 . 2 . 402 . . 36 ASP HB2 . 19653 1
429 . 1 1 36 36 ASP HB3 H 1 2.545 0.02 . 2 . 401 . . 36 ASP HB3 . 19653 1
430 . 1 1 36 36 ASP C C 13 176.066 0.20 . 1 . 396 . . 36 ASP C . 19653 1
431 . 1 1 36 36 ASP CA C 13 54.615 0.20 . 1 . 397 . . 36 ASP CA . 19653 1
432 . 1 1 36 36 ASP CB C 13 41.651 0.20 . 1 . 398 . . 36 ASP CB . 19653 1
433 . 1 1 36 36 ASP N N 15 117.156 0.20 . 1 . 403 . . 36 ASP N . 19653 1
434 . 1 1 37 37 ILE H H 1 8.804 0.02 . 1 . 410 . . 37 ILE H . 19653 1
435 . 1 1 37 37 ILE HA H 1 4.116 0.02 . 1 . 411 . . 37 ILE HA . 19653 1
436 . 1 1 37 37 ILE HB H 1 1.489 0.02 . 1 . 412 . . 37 ILE HB . 19653 1
437 . 1 1 37 37 ILE HG12 H 1 0.935 0.02 . 2 . 415 . . 37 ILE HG12 . 19653 1
438 . 1 1 37 37 ILE HG13 H 1 1.535 0.02 . 2 . 414 . . 37 ILE HG13 . 19653 1
439 . 1 1 37 37 ILE HG21 H 1 0.611 0.02 . 1 . 416 . . 37 ILE HG21 . 19653 1
440 . 1 1 37 37 ILE HG22 H 1 0.611 0.02 . 1 . 416 . . 37 ILE HG22 . 19653 1
441 . 1 1 37 37 ILE HG23 H 1 0.611 0.02 . 1 . 416 . . 37 ILE HG23 . 19653 1
442 . 1 1 37 37 ILE HD11 H 1 0.323 0.02 . 1 . 413 . . 37 ILE HD11 . 19653 1
443 . 1 1 37 37 ILE HD12 H 1 0.323 0.02 . 1 . 413 . . 37 ILE HD12 . 19653 1
444 . 1 1 37 37 ILE HD13 H 1 0.323 0.02 . 1 . 413 . . 37 ILE HD13 . 19653 1
445 . 1 1 37 37 ILE C C 13 176.354 0.20 . 1 . 404 . . 37 ILE C . 19653 1
446 . 1 1 37 37 ILE CA C 13 61.270 0.20 . 1 . 405 . . 37 ILE CA . 19653 1
447 . 1 1 37 37 ILE CB C 13 41.477 0.20 . 1 . 406 . . 37 ILE CB . 19653 1
448 . 1 1 37 37 ILE CG1 C 13 27.303 0.20 . 1 . 408 . . 37 ILE CG1 . 19653 1
449 . 1 1 37 37 ILE CG2 C 13 18.488 0.20 . 1 . 409 . . 37 ILE CG2 . 19653 1
450 . 1 1 37 37 ILE CD1 C 13 14.533 0.20 . 1 . 407 . . 37 ILE CD1 . 19653 1
451 . 1 1 37 37 ILE N N 15 124.017 0.20 . 1 . 417 . . 37 ILE N . 19653 1
452 . 1 1 38 38 GLU H H 1 9.153 0.02 . 1 . 422 . . 38 GLU H . 19653 1
453 . 1 1 38 38 GLU HA H 1 4.408 0.02 . 1 . 423 . . 38 GLU HA . 19653 1
454 . 1 1 38 38 GLU HB2 H 1 1.814 0.02 . 2 . 425 . . 38 GLU HB2 . 19653 1
455 . 1 1 38 38 GLU HB3 H 1 1.706 0.02 . 2 . 424 . . 38 GLU HB3 . 19653 1
456 . 1 1 38 38 GLU HG2 H 1 2.107 0.02 . 1 . 427 . . 38 GLU HG2 . 19653 1
457 . 1 1 38 38 GLU HG3 H 1 2.107 0.02 . 1 . 426 . . 38 GLU HG3 . 19653 1
458 . 1 1 38 38 GLU C C 13 175.671 0.20 . 1 . 418 . . 38 GLU C . 19653 1
459 . 1 1 38 38 GLU CA C 13 57.590 0.20 . 1 . 419 . . 38 GLU CA . 19653 1
460 . 1 1 38 38 GLU CB C 13 30.645 0.20 . 1 . 420 . . 38 GLU CB . 19653 1
461 . 1 1 38 38 GLU CG C 13 35.451 0.20 . 1 . 421 . . 38 GLU CG . 19653 1
462 . 1 1 38 38 GLU N N 15 128.336 0.20 . 1 . 428 . . 38 GLU N . 19653 1
463 . 1 1 39 39 GLU H H 1 7.598 0.02 . 1 . 433 . . 39 GLU H . 19653 1
464 . 1 1 39 39 GLU HA H 1 4.537 0.02 . 1 . 434 . . 39 GLU HA . 19653 1
465 . 1 1 39 39 GLU HB2 H 1 2.117 0.02 . 2 . 436 . . 39 GLU HB2 . 19653 1
466 . 1 1 39 39 GLU HB3 H 1 1.988 0.02 . 2 . 435 . . 39 GLU HB3 . 19653 1
467 . 1 1 39 39 GLU HG2 H 1 2.359 0.02 . 2 . 438 . . 39 GLU HG2 . 19653 1
468 . 1 1 39 39 GLU HG3 H 1 2.014 0.02 . 2 . 437 . . 39 GLU HG3 . 19653 1
469 . 1 1 39 39 GLU C C 13 173.095 0.20 . 1 . 429 . . 39 GLU C . 19653 1
470 . 1 1 39 39 GLU CA C 13 55.638 0.20 . 1 . 430 . . 39 GLU CA . 19653 1
471 . 1 1 39 39 GLU CB C 13 33.778 0.20 . 1 . 431 . . 39 GLU CB . 19653 1
472 . 1 1 39 39 GLU CG C 13 37.106 0.20 . 1 . 432 . . 39 GLU CG . 19653 1
473 . 1 1 39 39 GLU N N 15 118.506 0.20 . 1 . 439 . . 39 GLU N . 19653 1
474 . 1 1 40 40 ALA H H 1 8.911 0.02 . 1 . 443 . . 40 ALA H . 19653 1
475 . 1 1 40 40 ALA HA H 1 5.259 0.02 . 1 . 444 . . 40 ALA HA . 19653 1
476 . 1 1 40 40 ALA HB1 H 1 1.331 0.02 . 1 . 445 . . 40 ALA HB1 . 19653 1
477 . 1 1 40 40 ALA HB2 H 1 1.331 0.02 . 1 . 445 . . 40 ALA HB2 . 19653 1
478 . 1 1 40 40 ALA HB3 H 1 1.331 0.02 . 1 . 445 . . 40 ALA HB3 . 19653 1
479 . 1 1 40 40 ALA C C 13 174.119 0.20 . 1 . 440 . . 40 ALA C . 19653 1
480 . 1 1 40 40 ALA CA C 13 51.693 0.20 . 1 . 441 . . 40 ALA CA . 19653 1
481 . 1 1 40 40 ALA CB C 13 20.715 0.20 . 1 . 442 . . 40 ALA CB . 19653 1
482 . 1 1 40 40 ALA N N 15 130.405 0.20 . 1 . 446 . . 40 ALA N . 19653 1
483 . 1 1 41 41 VAL H H 1 8.920 0.02 . 1 . 452 . . 41 VAL H . 19653 1
484 . 1 1 41 41 VAL HA H 1 4.750 0.02 . 1 . 453 . . 41 VAL HA . 19653 1
485 . 1 1 41 41 VAL HB H 1 1.938 0.02 . 1 . 454 . . 41 VAL HB . 19653 1
486 . 1 1 41 41 VAL HG11 H 1 0.932 0.02 . 1 . 455 . . 41 VAL HG11 . 19653 1
487 . 1 1 41 41 VAL HG12 H 1 0.932 0.02 . 1 . 455 . . 41 VAL HG12 . 19653 1
488 . 1 1 41 41 VAL HG13 H 1 0.932 0.02 . 1 . 455 . . 41 VAL HG13 . 19653 1
489 . 1 1 41 41 VAL HG21 H 1 0.932 0.02 . 1 . 456 . . 41 VAL HG21 . 19653 1
490 . 1 1 41 41 VAL HG22 H 1 0.932 0.02 . 1 . 456 . . 41 VAL HG22 . 19653 1
491 . 1 1 41 41 VAL HG23 H 1 0.932 0.02 . 1 . 456 . . 41 VAL HG23 . 19653 1
492 . 1 1 41 41 VAL C C 13 172.141 0.20 . 1 . 447 . . 41 VAL C . 19653 1
493 . 1 1 41 41 VAL CA C 13 58.865 0.20 . 1 . 448 . . 41 VAL CA . 19653 1
494 . 1 1 41 41 VAL CB C 13 36.433 0.20 . 1 . 449 . . 41 VAL CB . 19653 1
495 . 1 1 41 41 VAL CG1 C 13 20.111 0.20 . 1 . 450 . . 41 VAL CG1 . 19653 1
496 . 1 1 41 41 VAL CG2 C 13 20.111 0.20 . 1 . 451 . . 41 VAL CG2 . 19653 1
497 . 1 1 41 41 VAL N N 15 120.090 0.20 . 1 . 457 . . 41 VAL N . 19653 1
498 . 1 1 42 42 VAL H H 1 8.450 0.02 . 1 . 463 . . 42 VAL H . 19653 1
499 . 1 1 42 42 VAL HA H 1 3.758 0.02 . 1 . 464 . . 42 VAL HA . 19653 1
500 . 1 1 42 42 VAL HB H 1 1.865 0.02 . 1 . 465 . . 42 VAL HB . 19653 1
501 . 1 1 42 42 VAL HG11 H 1 0.724 0.02 . 1 . 466 . . 42 VAL HG11 . 19653 1
502 . 1 1 42 42 VAL HG12 H 1 0.724 0.02 . 1 . 466 . . 42 VAL HG12 . 19653 1
503 . 1 1 42 42 VAL HG13 H 1 0.724 0.02 . 1 . 466 . . 42 VAL HG13 . 19653 1
504 . 1 1 42 42 VAL HG21 H 1 0.596 0.02 . 1 . 467 . . 42 VAL HG21 . 19653 1
505 . 1 1 42 42 VAL HG22 H 1 0.596 0.02 . 1 . 467 . . 42 VAL HG22 . 19653 1
506 . 1 1 42 42 VAL HG23 H 1 0.596 0.02 . 1 . 467 . . 42 VAL HG23 . 19653 1
507 . 1 1 42 42 VAL C C 13 176.327 0.20 . 1 . 458 . . 42 VAL C . 19653 1
508 . 1 1 42 42 VAL CA C 13 62.346 0.20 . 1 . 459 . . 42 VAL CA . 19653 1
509 . 1 1 42 42 VAL CB C 13 33.133 0.20 . 1 . 460 . . 42 VAL CB . 19653 1
510 . 1 1 42 42 VAL CG1 C 13 21.002 0.20 . 1 . 461 . . 42 VAL CG1 . 19653 1
511 . 1 1 42 42 VAL CG2 C 13 22.248 0.20 . 1 . 462 . . 42 VAL CG2 . 19653 1
512 . 1 1 42 42 VAL N N 15 125.315 0.20 . 1 . 468 . . 42 VAL N . 19653 1
513 . 1 1 43 43 ILE H H 1 8.342 0.02 . 1 . 475 . . 43 ILE H . 19653 1
514 . 1 1 43 43 ILE HA H 1 4.108 0.02 . 1 . 476 . . 43 ILE HA . 19653 1
515 . 1 1 43 43 ILE HB H 1 0.986 0.02 . 1 . 477 . . 43 ILE HB . 19653 1
516 . 1 1 43 43 ILE HG12 H 1 1.154 0.02 . 2 . 480 . . 43 ILE HG12 . 19653 1
517 . 1 1 43 43 ILE HG13 H 1 1.437 0.02 . 2 . 479 . . 43 ILE HG13 . 19653 1
518 . 1 1 43 43 ILE HG21 H 1 0.879 0.02 . 1 . 481 . . 43 ILE HG21 . 19653 1
519 . 1 1 43 43 ILE HG22 H 1 0.879 0.02 . 1 . 481 . . 43 ILE HG22 . 19653 1
520 . 1 1 43 43 ILE HG23 H 1 0.879 0.02 . 1 . 481 . . 43 ILE HG23 . 19653 1
521 . 1 1 43 43 ILE HD11 H 1 0.770 0.02 . 1 . 478 . . 43 ILE HD11 . 19653 1
522 . 1 1 43 43 ILE HD12 H 1 0.770 0.02 . 1 . 478 . . 43 ILE HD12 . 19653 1
523 . 1 1 43 43 ILE HD13 H 1 0.770 0.02 . 1 . 478 . . 43 ILE HD13 . 19653 1
524 . 1 1 43 43 ILE C C 13 174.747 0.20 . 1 . 469 . . 43 ILE C . 19653 1
525 . 1 1 43 43 ILE CA C 13 59.162 0.20 . 1 . 470 . . 43 ILE CA . 19653 1
526 . 1 1 43 43 ILE CB C 13 33.915 0.20 . 1 . 471 . . 43 ILE CB . 19653 1
527 . 1 1 43 43 ILE CG1 C 13 27.358 0.20 . 1 . 473 . . 43 ILE CG1 . 19653 1
528 . 1 1 43 43 ILE CG2 C 13 17.222 0.20 . 1 . 474 . . 43 ILE CG2 . 19653 1
529 . 1 1 43 43 ILE CD1 C 13 8.945 0.20 . 1 . 472 . . 43 ILE CD1 . 19653 1
530 . 1 1 43 43 ILE N N 15 129.412 0.20 . 1 . 482 . . 43 ILE N . 19653 1
531 . 1 1 44 44 THR H H 1 7.926 0.02 . 1 . 487 . . 44 THR H . 19653 1
532 . 1 1 44 44 THR HA H 1 4.810 0.02 . 1 . 488 . . 44 THR HA . 19653 1
533 . 1 1 44 44 THR HB H 1 3.680 0.02 . 1 . 489 . . 44 THR HB . 19653 1
534 . 1 1 44 44 THR HG21 H 1 0.972 0.02 . 1 . 490 . . 44 THR HG21 . 19653 1
535 . 1 1 44 44 THR HG22 H 1 0.972 0.02 . 1 . 490 . . 44 THR HG22 . 19653 1
536 . 1 1 44 44 THR HG23 H 1 0.972 0.02 . 1 . 490 . . 44 THR HG23 . 19653 1
537 . 1 1 44 44 THR C C 13 174.577 0.20 . 1 . 483 . . 44 THR C . 19653 1
538 . 1 1 44 44 THR CA C 13 58.947 0.20 . 1 . 484 . . 44 THR CA . 19653 1
539 . 1 1 44 44 THR CB C 13 71.871 0.20 . 1 . 485 . . 44 THR CB . 19653 1
540 . 1 1 44 44 THR CG2 C 13 21.296 0.20 . 1 . 486 . . 44 THR CG2 . 19653 1
541 . 1 1 44 44 THR N N 15 116.655 0.20 . 1 . 491 . . 44 THR N . 19653 1
542 . 1 1 45 45 ASP H H 1 8.603 0.02 . 1 . 495 . . 45 ASP H . 19653 1
543 . 1 1 45 45 ASP HA H 1 4.618 0.02 . 1 . 496 . . 45 ASP HA . 19653 1
544 . 1 1 45 45 ASP HB2 H 1 3.085 0.02 . 2 . 498 . . 45 ASP HB2 . 19653 1
545 . 1 1 45 45 ASP HB3 H 1 2.501 0.02 . 2 . 497 . . 45 ASP HB3 . 19653 1
546 . 1 1 45 45 ASP C C 13 177.370 0.20 . 1 . 492 . . 45 ASP C . 19653 1
547 . 1 1 45 45 ASP CA C 13 54.053 0.20 . 1 . 493 . . 45 ASP CA . 19653 1
548 . 1 1 45 45 ASP CB C 13 42.748 0.20 . 1 . 494 . . 45 ASP CB . 19653 1
549 . 1 1 45 45 ASP N N 15 122.544 0.20 . 1 . 499 . . 45 ASP N . 19653 1
550 . 1 1 46 46 ARG H H 1 9.018 0.02 . 1 . 505 . . 46 ARG H . 19653 1
551 . 1 1 46 46 ARG HA H 1 4.069 0.02 . 1 . 506 . . 46 ARG HA . 19653 1
552 . 1 1 46 46 ARG HB2 H 1 1.865 0.02 . 1 . 508 . . 46 ARG HB2 . 19653 1
553 . 1 1 46 46 ARG HB3 H 1 1.865 0.02 . 1 . 507 . . 46 ARG HB3 . 19653 1
554 . 1 1 46 46 ARG HG2 H 1 1.703 0.02 . 1 . 512 . . 46 ARG HG2 . 19653 1
555 . 1 1 46 46 ARG HG3 H 1 1.703 0.02 . 1 . 511 . . 46 ARG HG3 . 19653 1
556 . 1 1 46 46 ARG HD2 H 1 3.211 0.02 . 1 . 510 . . 46 ARG HD2 . 19653 1
557 . 1 1 46 46 ARG HD3 H 1 3.211 0.02 . 1 . 509 . . 46 ARG HD3 . 19653 1
558 . 1 1 46 46 ARG C C 13 176.957 0.20 . 1 . 500 . . 46 ARG C . 19653 1
559 . 1 1 46 46 ARG CA C 13 58.395 0.20 . 1 . 501 . . 46 ARG CA . 19653 1
560 . 1 1 46 46 ARG CB C 13 30.123 0.20 . 1 . 502 . . 46 ARG CB . 19653 1
561 . 1 1 46 46 ARG CG C 13 27.212 0.20 . 1 . 504 . . 46 ARG CG . 19653 1
562 . 1 1 46 46 ARG CD C 13 43.293 0.20 . 1 . 503 . . 46 ARG CD . 19653 1
563 . 1 1 46 46 ARG N N 15 126.544 0.20 . 1 . 513 . . 46 ARG N . 19653 1
564 . 1 1 47 47 ASN H H 1 8.828 0.02 . 1 . 517 . . 47 ASN H . 19653 1
565 . 1 1 47 47 ASN HA H 1 4.732 0.02 . 1 . 518 . . 47 ASN HA . 19653 1
566 . 1 1 47 47 ASN HB2 H 1 2.856 0.02 . 2 . 520 . . 47 ASN HB2 . 19653 1
567 . 1 1 47 47 ASN HB3 H 1 3.012 0.02 . 2 . 519 . . 47 ASN HB3 . 19653 1
568 . 1 1 47 47 ASN HD21 H 1 7.915 0.02 . 1 . 521 . . 47 ASN HD21 . 19653 1
569 . 1 1 47 47 ASN HD22 H 1 7.031 0.02 . 1 . 522 . . 47 ASN HD22 . 19653 1
570 . 1 1 47 47 ASN C C 13 176.613 0.20 . 1 . 514 . . 47 ASN C . 19653 1
571 . 1 1 47 47 ASN CA C 13 55.314 0.20 . 1 . 515 . . 47 ASN CA . 19653 1
572 . 1 1 47 47 ASN CB C 13 39.094 0.20 . 1 . 516 . . 47 ASN CB . 19653 1
573 . 1 1 47 47 ASN N N 15 115.835 0.20 . 1 . 523 . . 47 ASN N . 19653 1
574 . 1 1 47 47 ASN ND2 N 15 114.627 0.20 . 1 . 524 . . 47 ASN ND2 . 19653 1
575 . 1 1 48 48 THR H H 1 8.121 0.02 . 1 . 529 . . 48 THR H . 19653 1
576 . 1 1 48 48 THR HA H 1 4.362 0.02 . 1 . 530 . . 48 THR HA . 19653 1
577 . 1 1 48 48 THR HB H 1 4.328 0.02 . 1 . 531 . . 48 THR HB . 19653 1
578 . 1 1 48 48 THR HG21 H 1 1.182 0.02 . 1 . 532 . . 48 THR HG21 . 19653 1
579 . 1 1 48 48 THR HG22 H 1 1.182 0.02 . 1 . 532 . . 48 THR HG22 . 19653 1
580 . 1 1 48 48 THR HG23 H 1 1.182 0.02 . 1 . 532 . . 48 THR HG23 . 19653 1
581 . 1 1 48 48 THR C C 13 175.345 0.20 . 1 . 525 . . 48 THR C . 19653 1
582 . 1 1 48 48 THR CA C 13 61.562 0.20 . 1 . 526 . . 48 THR CA . 19653 1
583 . 1 1 48 48 THR CB C 13 70.694 0.20 . 1 . 527 . . 48 THR CB . 19653 1
584 . 1 1 48 48 THR CG2 C 13 21.183 0.20 . 1 . 528 . . 48 THR CG2 . 19653 1
585 . 1 1 48 48 THR N N 15 108.529 0.20 . 1 . 533 . . 48 THR N . 19653 1
586 . 1 1 49 49 GLN H H 1 8.292 0.02 . 1 . 538 . . 49 GLN H . 19653 1
587 . 1 1 49 49 GLN HA H 1 3.982 0.02 . 1 . 539 . . 49 GLN HA . 19653 1
588 . 1 1 49 49 GLN HB2 H 1 2.386 0.02 . 1 . 541 . . 49 GLN HB2 . 19653 1
589 . 1 1 49 49 GLN HB3 H 1 2.386 0.02 . 1 . 540 . . 49 GLN HB3 . 19653 1
590 . 1 1 49 49 GLN HG2 H 1 2.295 0.02 . 1 . 545 . . 49 GLN HG2 . 19653 1
591 . 1 1 49 49 GLN HG3 H 1 2.295 0.02 . 1 . 544 . . 49 GLN HG3 . 19653 1
592 . 1 1 49 49 GLN HE21 H 1 7.433 0.02 . 1 . 542 . . 49 GLN HE21 . 19653 1
593 . 1 1 49 49 GLN HE22 H 1 6.756 0.02 . 1 . 543 . . 49 GLN HE22 . 19653 1
594 . 1 1 49 49 GLN C C 13 174.409 0.20 . 1 . 534 . . 49 GLN C . 19653 1
595 . 1 1 49 49 GLN CA C 13 57.445 0.20 . 1 . 535 . . 49 GLN CA . 19653 1
596 . 1 1 49 49 GLN CB C 13 26.163 0.20 . 1 . 536 . . 49 GLN CB . 19653 1
597 . 1 1 49 49 GLN CG C 13 34.344 0.20 . 1 . 537 . . 49 GLN CG . 19653 1
598 . 1 1 49 49 GLN N N 15 114.947 0.20 . 1 . 546 . . 49 GLN N . 19653 1
599 . 1 1 49 49 GLN NE2 N 15 112.862 0.20 . 1 . 547 . . 49 GLN NE2 . 19653 1
600 . 1 1 50 50 LYS H H 1 7.661 0.02 . 1 . 554 . . 50 LYS H . 19653 1
601 . 1 1 50 50 LYS HA H 1 4.376 0.02 . 1 . 555 . . 50 LYS HA . 19653 1
602 . 1 1 50 50 LYS HB2 H 1 1.787 0.02 . 2 . 557 . . 50 LYS HB2 . 19653 1
603 . 1 1 50 50 LYS HB3 H 1 1.593 0.02 . 2 . 556 . . 50 LYS HB3 . 19653 1
604 . 1 1 50 50 LYS HG2 H 1 1.392 0.02 . 1 . 563 . . 50 LYS HG2 . 19653 1
605 . 1 1 50 50 LYS HG3 H 1 1.392 0.02 . 1 . 562 . . 50 LYS HG3 . 19653 1
606 . 1 1 50 50 LYS HD2 H 1 1.555 0.02 . 1 . 559 . . 50 LYS HD2 . 19653 1
607 . 1 1 50 50 LYS HD3 H 1 1.555 0.02 . 1 . 558 . . 50 LYS HD3 . 19653 1
608 . 1 1 50 50 LYS HE2 H 1 2.848 0.02 . 2 . 561 . . 50 LYS HE2 . 19653 1
609 . 1 1 50 50 LYS HE3 H 1 2.756 0.02 . 2 . 560 . . 50 LYS HE3 . 19653 1
610 . 1 1 50 50 LYS C C 13 176.435 0.20 . 1 . 548 . . 50 LYS C . 19653 1
611 . 1 1 50 50 LYS CA C 13 55.528 0.20 . 1 . 549 . . 50 LYS CA . 19653 1
612 . 1 1 50 50 LYS CB C 13 33.773 0.20 . 1 . 550 . . 50 LYS CB . 19653 1
613 . 1 1 50 50 LYS CG C 13 25.043 0.20 . 1 . 553 . . 50 LYS CG . 19653 1
614 . 1 1 50 50 LYS CD C 13 28.839 0.20 . 1 . 551 . . 50 LYS CD . 19653 1
615 . 1 1 50 50 LYS CE C 13 41.935 0.20 . 1 . 552 . . 50 LYS CE . 19653 1
616 . 1 1 50 50 LYS N N 15 118.345 0.20 . 1 . 564 . . 50 LYS N . 19653 1
617 . 1 1 51 51 SER H H 1 8.716 0.02 . 1 . 568 . . 51 SER H . 19653 1
618 . 1 1 51 51 SER HA H 1 4.193 0.02 . 1 . 569 . . 51 SER HA . 19653 1
619 . 1 1 51 51 SER HB2 H 1 4.216 0.02 . 2 . 571 . . 51 SER HB2 . 19653 1
620 . 1 1 51 51 SER HB3 H 1 4.021 0.02 . 2 . 570 . . 51 SER HB3 . 19653 1
621 . 1 1 51 51 SER C C 13 175.743 0.20 . 1 . 565 . . 51 SER C . 19653 1
622 . 1 1 51 51 SER CA C 13 58.184 0.20 . 1 . 566 . . 51 SER CA . 19653 1
623 . 1 1 51 51 SER CB C 13 64.393 0.20 . 1 . 567 . . 51 SER CB . 19653 1
624 . 1 1 51 51 SER N N 15 116.940 0.20 . 1 . 572 . . 51 SER N . 19653 1
625 . 1 1 52 52 ARG H H 1 9.131 0.02 . 1 . 578 . . 52 ARG H . 19653 1
626 . 1 1 52 52 ARG HA H 1 4.583 0.02 . 1 . 579 . . 52 ARG HA . 19653 1
627 . 1 1 52 52 ARG HB2 H 1 2.297 0.02 . 2 . 581 . . 52 ARG HB2 . 19653 1
628 . 1 1 52 52 ARG HB3 H 1 1.334 0.02 . 2 . 580 . . 52 ARG HB3 . 19653 1
629 . 1 1 52 52 ARG HG2 H 1 1.511 0.02 . 2 . 585 . . 52 ARG HG2 . 19653 1
630 . 1 1 52 52 ARG HG3 H 1 1.731 0.02 . 2 . 584 . . 52 ARG HG3 . 19653 1
631 . 1 1 52 52 ARG HD2 H 1 3.075 0.02 . 2 . 583 . . 52 ARG HD2 . 19653 1
632 . 1 1 52 52 ARG HD3 H 1 3.384 0.02 . 2 . 582 . . 52 ARG HD3 . 19653 1
633 . 1 1 52 52 ARG C C 13 177.649 0.20 . 1 . 573 . . 52 ARG C . 19653 1
634 . 1 1 52 52 ARG CA C 13 56.260 0.20 . 1 . 574 . . 52 ARG CA . 19653 1
635 . 1 1 52 52 ARG CB C 13 31.061 0.20 . 1 . 575 . . 52 ARG CB . 19653 1
636 . 1 1 52 52 ARG CG C 13 28.023 0.20 . 1 . 577 . . 52 ARG CG . 19653 1
637 . 1 1 52 52 ARG CD C 13 43.540 0.20 . 1 . 576 . . 52 ARG CD . 19653 1
638 . 1 1 52 52 ARG N N 15 123.196 0.20 . 1 . 586 . . 52 ARG N . 19653 1
639 . 1 1 53 53 GLY H H 1 9.751 0.02 . 1 . 589 . . 53 GLY H . 19653 1
640 . 1 1 53 53 GLY HA2 H 1 4.248 0.02 . 2 . 591 . . 53 GLY HA2 . 19653 1
641 . 1 1 53 53 GLY HA3 H 1 3.237 0.02 . 2 . 590 . . 53 GLY HA3 . 19653 1
642 . 1 1 53 53 GLY C C 13 170.976 0.20 . 1 . 587 . . 53 GLY C . 19653 1
643 . 1 1 53 53 GLY CA C 13 45.477 0.20 . 1 . 588 . . 53 GLY CA . 19653 1
644 . 1 1 53 53 GLY N N 15 108.457 0.20 . 1 . 592 . . 53 GLY N . 19653 1
645 . 1 1 54 54 TYR H H 1 7.086 0.02 . 1 . 600 . . 54 TYR H . 19653 1
646 . 1 1 54 54 TYR HA H 1 4.992 0.02 . 1 . 601 . . 54 TYR HA . 19653 1
647 . 1 1 54 54 TYR HB2 H 1 2.484 0.02 . 2 . 603 . . 54 TYR HB2 . 19653 1
648 . 1 1 54 54 TYR HB3 H 1 2.399 0.02 . 2 . 602 . . 54 TYR HB3 . 19653 1
649 . 1 1 54 54 TYR HD1 H 1 6.375 0.02 . 3 . 604 . . 54 TYR HD1 . 19653 1
650 . 1 1 54 54 TYR HD2 H 1 6.375 0.02 . 3 . 605 . . 54 TYR HD2 . 19653 1
651 . 1 1 54 54 TYR HE1 H 1 6.634 0.02 . 3 . 606 . . 54 TYR HE1 . 19653 1
652 . 1 1 54 54 TYR HE2 H 1 6.634 0.02 . 3 . 607 . . 54 TYR HE2 . 19653 1
653 . 1 1 54 54 TYR C C 13 171.317 0.20 . 1 . 593 . . 54 TYR C . 19653 1
654 . 1 1 54 54 TYR CA C 13 54.941 0.20 . 1 . 594 . . 54 TYR CA . 19653 1
655 . 1 1 54 54 TYR CB C 13 40.928 0.20 . 1 . 595 . . 54 TYR CB . 19653 1
656 . 1 1 54 54 TYR CD1 C 13 132.944 0.20 . 3 . 596 . . 54 TYR CD1 . 19653 1
657 . 1 1 54 54 TYR CD2 C 13 132.944 0.20 . 3 . 597 . . 54 TYR CD2 . 19653 1
658 . 1 1 54 54 TYR CE1 C 13 117.769 0.20 . 3 . 598 . . 54 TYR CE1 . 19653 1
659 . 1 1 54 54 TYR CE2 C 13 117.769 0.20 . 3 . 599 . . 54 TYR CE2 . 19653 1
660 . 1 1 54 54 TYR N N 15 110.879 0.20 . 1 . 608 . . 54 TYR N . 19653 1
661 . 1 1 55 55 GLY H H 1 8.769 0.02 . 1 . 611 . . 55 GLY H . 19653 1
662 . 1 1 55 55 GLY HA2 H 1 3.940 0.02 . 2 . 613 . . 55 GLY HA2 . 19653 1
663 . 1 1 55 55 GLY HA3 H 1 3.790 0.02 . 2 . 612 . . 55 GLY HA3 . 19653 1
664 . 1 1 55 55 GLY C C 13 169.437 0.20 . 1 . 609 . . 55 GLY C . 19653 1
665 . 1 1 55 55 GLY CA C 13 44.913 0.20 . 1 . 610 . . 55 GLY CA . 19653 1
666 . 1 1 55 55 GLY N N 15 106.681 0.20 . 1 . 614 . . 55 GLY N . 19653 1
667 . 1 1 56 56 PHE H H 1 8.424 0.02 . 1 . 623 . . 56 PHE H . 19653 1
668 . 1 1 56 56 PHE HA H 1 5.590 0.02 . 1 . 624 . . 56 PHE HA . 19653 1
669 . 1 1 56 56 PHE HB2 H 1 2.780 0.02 . 2 . 626 . . 56 PHE HB2 . 19653 1
670 . 1 1 56 56 PHE HB3 H 1 2.181 0.02 . 2 . 625 . . 56 PHE HB3 . 19653 1
671 . 1 1 56 56 PHE HD1 H 1 6.602 0.02 . 3 . 627 . . 56 PHE HD1 . 19653 1
672 . 1 1 56 56 PHE HD2 H 1 6.602 0.02 . 3 . 628 . . 56 PHE HD2 . 19653 1
673 . 1 1 56 56 PHE HE1 H 1 7.168 0.02 . 3 . 629 . . 56 PHE HE1 . 19653 1
674 . 1 1 56 56 PHE HE2 H 1 7.168 0.02 . 3 . 630 . . 56 PHE HE2 . 19653 1
675 . 1 1 56 56 PHE HZ H 1 7.286 0.02 . 1 . 631 . . 56 PHE HZ . 19653 1
676 . 1 1 56 56 PHE C C 13 174.943 0.20 . 1 . 615 . . 56 PHE C . 19653 1
677 . 1 1 56 56 PHE CA C 13 55.922 0.20 . 1 . 616 . . 56 PHE CA . 19653 1
678 . 1 1 56 56 PHE CB C 13 44.474 0.20 . 1 . 617 . . 56 PHE CB . 19653 1
679 . 1 1 56 56 PHE CD1 C 13 130.912 0.20 . 3 . 618 . . 56 PHE CD1 . 19653 1
680 . 1 1 56 56 PHE CD2 C 13 130.912 0.20 . 3 . 619 . . 56 PHE CD2 . 19653 1
681 . 1 1 56 56 PHE CE1 C 13 130.130 0.20 . 3 . 620 . . 56 PHE CE1 . 19653 1
682 . 1 1 56 56 PHE CE2 C 13 130.130 0.20 . 3 . 621 . . 56 PHE CE2 . 19653 1
683 . 1 1 56 56 PHE CZ C 13 128.561 0.20 . 1 . 622 . . 56 PHE CZ . 19653 1
684 . 1 1 56 56 PHE N N 15 112.444 0.20 . 1 . 632 . . 56 PHE N . 19653 1
685 . 1 1 57 57 VAL H H 1 8.807 0.02 . 1 . 638 . . 57 VAL H . 19653 1
686 . 1 1 57 57 VAL HA H 1 4.803 0.02 . 1 . 639 . . 57 VAL HA . 19653 1
687 . 1 1 57 57 VAL HB H 1 1.099 0.02 . 1 . 640 . . 57 VAL HB . 19653 1
688 . 1 1 57 57 VAL HG11 H 1 0.535 0.02 . 1 . 641 . . 57 VAL HG11 . 19653 1
689 . 1 1 57 57 VAL HG12 H 1 0.535 0.02 . 1 . 641 . . 57 VAL HG12 . 19653 1
690 . 1 1 57 57 VAL HG13 H 1 0.535 0.02 . 1 . 641 . . 57 VAL HG13 . 19653 1
691 . 1 1 57 57 VAL HG21 H 1 0.277 0.02 . 1 . 642 . . 57 VAL HG21 . 19653 1
692 . 1 1 57 57 VAL HG22 H 1 0.277 0.02 . 1 . 642 . . 57 VAL HG22 . 19653 1
693 . 1 1 57 57 VAL HG23 H 1 0.277 0.02 . 1 . 642 . . 57 VAL HG23 . 19653 1
694 . 1 1 57 57 VAL C C 13 174.766 0.20 . 1 . 633 . . 57 VAL C . 19653 1
695 . 1 1 57 57 VAL CA C 13 60.400 0.20 . 1 . 634 . . 57 VAL CA . 19653 1
696 . 1 1 57 57 VAL CB C 13 35.417 0.20 . 1 . 635 . . 57 VAL CB . 19653 1
697 . 1 1 57 57 VAL CG1 C 13 21.671 0.20 . 1 . 636 . . 57 VAL CG1 . 19653 1
698 . 1 1 57 57 VAL CG2 C 13 21.171 0.20 . 1 . 637 . . 57 VAL CG2 . 19653 1
699 . 1 1 57 57 VAL N N 15 121.050 0.20 . 1 . 643 . . 57 VAL N . 19653 1
700 . 1 1 58 58 THR H H 1 9.562 0.02 . 1 . 648 . . 58 THR H . 19653 1
701 . 1 1 58 58 THR HA H 1 5.245 0.02 . 1 . 649 . . 58 THR HA . 19653 1
702 . 1 1 58 58 THR HB H 1 3.919 0.02 . 1 . 650 . . 58 THR HB . 19653 1
703 . 1 1 58 58 THR HG21 H 1 1.163 0.02 . 1 . 651 . . 58 THR HG21 . 19653 1
704 . 1 1 58 58 THR HG22 H 1 1.163 0.02 . 1 . 651 . . 58 THR HG22 . 19653 1
705 . 1 1 58 58 THR HG23 H 1 1.163 0.02 . 1 . 651 . . 58 THR HG23 . 19653 1
706 . 1 1 58 58 THR C C 13 175.177 0.20 . 1 . 644 . . 58 THR C . 19653 1
707 . 1 1 58 58 THR CA C 13 61.589 0.20 . 1 . 645 . . 58 THR CA . 19653 1
708 . 1 1 58 58 THR CB C 13 69.443 0.20 . 1 . 646 . . 58 THR CB . 19653 1
709 . 1 1 58 58 THR CG2 C 13 21.087 0.20 . 1 . 647 . . 58 THR CG2 . 19653 1
710 . 1 1 58 58 THR N N 15 124.951 0.20 . 1 . 652 . . 58 THR N . 19653 1
711 . 1 1 59 59 MET H H 1 8.444 0.02 . 1 . 658 . . 59 MET H . 19653 1
712 . 1 1 59 59 MET HA H 1 5.091 0.02 . 1 . 659 . . 59 MET HA . 19653 1
713 . 1 1 59 59 MET HB2 H 1 2.022 0.02 . 2 . 661 . . 59 MET HB2 . 19653 1
714 . 1 1 59 59 MET HB3 H 1 2.547 0.02 . 2 . 660 . . 59 MET HB3 . 19653 1
715 . 1 1 59 59 MET HG2 H 1 2.537 0.02 . 2 . 664 . . 59 MET HG2 . 19653 1
716 . 1 1 59 59 MET HG3 H 1 2.240 0.02 . 2 . 663 . . 59 MET HG3 . 19653 1
717 . 1 1 59 59 MET HE1 H 1 1.929 0.02 . 1 . 662 . . 59 MET HE1 . 19653 1
718 . 1 1 59 59 MET HE2 H 1 1.929 0.02 . 1 . 662 . . 59 MET HE2 . 19653 1
719 . 1 1 59 59 MET HE3 H 1 1.929 0.02 . 1 . 662 . . 59 MET HE3 . 19653 1
720 . 1 1 59 59 MET C C 13 175.846 0.20 . 1 . 653 . . 59 MET C . 19653 1
721 . 1 1 59 59 MET CA C 13 52.672 0.20 . 1 . 654 . . 59 MET CA . 19653 1
722 . 1 1 59 59 MET CB C 13 32.106 0.20 . 1 . 655 . . 59 MET CB . 19653 1
723 . 1 1 59 59 MET CG C 13 32.411 0.20 . 1 . 657 . . 59 MET CG . 19653 1
724 . 1 1 59 59 MET CE C 13 16.757 0.20 . 1 . 656 . . 59 MET CE . 19653 1
725 . 1 1 59 59 MET N N 15 125.260 0.20 . 1 . 665 . . 59 MET N . 19653 1
726 . 1 1 60 60 LYS H H 1 8.343 0.02 . 1 . 672 . . 60 LYS H . 19653 1
727 . 1 1 60 60 LYS HA H 1 4.106 0.02 . 1 . 673 . . 60 LYS HA . 19653 1
728 . 1 1 60 60 LYS HB2 H 1 1.906 0.02 . 2 . 675 . . 60 LYS HB2 . 19653 1
729 . 1 1 60 60 LYS HB3 H 1 1.730 0.02 . 2 . 674 . . 60 LYS HB3 . 19653 1
730 . 1 1 60 60 LYS HG2 H 1 1.378 0.02 . 1 . 681 . . 60 LYS HG2 . 19653 1
731 . 1 1 60 60 LYS HG3 H 1 1.378 0.02 . 1 . 680 . . 60 LYS HG3 . 19653 1
732 . 1 1 60 60 LYS HD2 H 1 1.715 0.02 . 1 . 677 . . 60 LYS HD2 . 19653 1
733 . 1 1 60 60 LYS HD3 H 1 1.715 0.02 . 1 . 676 . . 60 LYS HD3 . 19653 1
734 . 1 1 60 60 LYS HE2 H 1 2.976 0.02 . 2 . 679 . . 60 LYS HE2 . 19653 1
735 . 1 1 60 60 LYS HE3 H 1 2.934 0.02 . 2 . 678 . . 60 LYS HE3 . 19653 1
736 . 1 1 60 60 LYS C C 13 175.536 0.20 . 1 . 666 . . 60 LYS C . 19653 1
737 . 1 1 60 60 LYS CA C 13 58.961 0.20 . 1 . 667 . . 60 LYS CA . 19653 1
738 . 1 1 60 60 LYS CB C 13 33.143 0.20 . 1 . 668 . . 60 LYS CB . 19653 1
739 . 1 1 60 60 LYS CG C 13 26.104 0.20 . 1 . 671 . . 60 LYS CG . 19653 1
740 . 1 1 60 60 LYS CD C 13 29.171 0.20 . 1 . 669 . . 60 LYS CD . 19653 1
741 . 1 1 60 60 LYS CE C 13 41.859 0.20 . 1 . 670 . . 60 LYS CE . 19653 1
742 . 1 1 60 60 LYS N N 15 117.458 0.20 . 1 . 682 . . 60 LYS N . 19653 1
743 . 1 1 61 61 ASP H H 1 7.729 0.02 . 1 . 686 . . 61 ASP H . 19653 1
744 . 1 1 61 61 ASP HA H 1 4.892 0.02 . 1 . 687 . . 61 ASP HA . 19653 1
745 . 1 1 61 61 ASP HB2 H 1 2.748 0.02 . 2 . 689 . . 61 ASP HB2 . 19653 1
746 . 1 1 61 61 ASP HB3 H 1 2.998 0.02 . 2 . 688 . . 61 ASP HB3 . 19653 1
747 . 1 1 61 61 ASP C C 13 175.143 0.20 . 1 . 683 . . 61 ASP C . 19653 1
748 . 1 1 61 61 ASP CA C 13 52.210 0.20 . 1 . 684 . . 61 ASP CA . 19653 1
749 . 1 1 61 61 ASP CB C 13 44.024 0.20 . 1 . 685 . . 61 ASP CB . 19653 1
750 . 1 1 61 61 ASP N N 15 112.205 0.20 . 1 . 690 . . 61 ASP N . 19653 1
751 . 1 1 62 62 ARG H H 1 8.756 0.02 . 1 . 696 . . 62 ARG H . 19653 1
752 . 1 1 62 62 ARG HA H 1 4.084 0.02 . 1 . 697 . . 62 ARG HA . 19653 1
753 . 1 1 62 62 ARG HB2 H 1 1.886 0.02 . 1 . 699 . . 62 ARG HB2 . 19653 1
754 . 1 1 62 62 ARG HB3 H 1 1.886 0.02 . 1 . 698 . . 62 ARG HB3 . 19653 1
755 . 1 1 62 62 ARG HG2 H 1 1.827 0.02 . 2 . 703 . . 62 ARG HG2 . 19653 1
756 . 1 1 62 62 ARG HG3 H 1 1.649 0.02 . 2 . 702 . . 62 ARG HG3 . 19653 1
757 . 1 1 62 62 ARG HD2 H 1 3.039 0.02 . 2 . 701 . . 62 ARG HD2 . 19653 1
758 . 1 1 62 62 ARG HD3 H 1 2.962 0.02 . 2 . 700 . . 62 ARG HD3 . 19653 1
759 . 1 1 62 62 ARG C C 13 177.955 0.20 . 1 . 691 . . 62 ARG C . 19653 1
760 . 1 1 62 62 ARG CA C 13 59.222 0.20 . 1 . 692 . . 62 ARG CA . 19653 1
761 . 1 1 62 62 ARG CB C 13 30.278 0.20 . 1 . 693 . . 62 ARG CB . 19653 1
762 . 1 1 62 62 ARG CG C 13 26.627 0.20 . 1 . 695 . . 62 ARG CG . 19653 1
763 . 1 1 62 62 ARG CD C 13 43.846 0.20 . 1 . 694 . . 62 ARG CD . 19653 1
764 . 1 1 62 62 ARG N N 15 121.762 0.20 . 1 . 704 . . 62 ARG N . 19653 1
765 . 1 1 63 63 ALA H H 1 8.678 0.02 . 1 . 708 . . 63 ALA H . 19653 1
766 . 1 1 63 63 ALA HA H 1 4.245 0.02 . 1 . 709 . . 63 ALA HA . 19653 1
767 . 1 1 63 63 ALA HB1 H 1 1.524 0.02 . 1 . 710 . . 63 ALA HB1 . 19653 1
768 . 1 1 63 63 ALA HB2 H 1 1.524 0.02 . 1 . 710 . . 63 ALA HB2 . 19653 1
769 . 1 1 63 63 ALA HB3 H 1 1.524 0.02 . 1 . 710 . . 63 ALA HB3 . 19653 1
770 . 1 1 63 63 ALA C C 13 181.024 0.20 . 1 . 705 . . 63 ALA C . 19653 1
771 . 1 1 63 63 ALA CA C 13 55.338 0.20 . 1 . 706 . . 63 ALA CA . 19653 1
772 . 1 1 63 63 ALA CB C 13 17.970 0.20 . 1 . 707 . . 63 ALA CB . 19653 1
773 . 1 1 63 63 ALA N N 15 123.484 0.20 . 1 . 711 . . 63 ALA N . 19653 1
774 . 1 1 64 64 SER H H 1 8.351 0.02 . 1 . 715 . . 64 SER H . 19653 1
775 . 1 1 64 64 SER HA H 1 4.341 0.02 . 1 . 716 . . 64 SER HA . 19653 1
776 . 1 1 64 64 SER HB2 H 1 4.060 0.02 . 2 . 718 . . 64 SER HB2 . 19653 1
777 . 1 1 64 64 SER HB3 H 1 3.867 0.02 . 2 . 717 . . 64 SER HB3 . 19653 1
778 . 1 1 64 64 SER C C 13 176.134 0.20 . 1 . 712 . . 64 SER C . 19653 1
779 . 1 1 64 64 SER CA C 13 61.931 0.20 . 1 . 713 . . 64 SER CA . 19653 1
780 . 1 1 64 64 SER CB C 13 62.741 0.20 . 1 . 714 . . 64 SER CB . 19653 1
781 . 1 1 64 64 SER N N 15 115.145 0.20 . 1 . 719 . . 64 SER N . 19653 1
782 . 1 1 65 65 ALA H H 1 7.569 0.02 . 1 . 723 . . 65 ALA H . 19653 1
783 . 1 1 65 65 ALA HA H 1 4.107 0.02 . 1 . 724 . . 65 ALA HA . 19653 1
784 . 1 1 65 65 ALA HB1 H 1 1.592 0.02 . 1 . 725 . . 65 ALA HB1 . 19653 1
785 . 1 1 65 65 ALA HB2 H 1 1.592 0.02 . 1 . 725 . . 65 ALA HB2 . 19653 1
786 . 1 1 65 65 ALA HB3 H 1 1.592 0.02 . 1 . 725 . . 65 ALA HB3 . 19653 1
787 . 1 1 65 65 ALA C C 13 178.431 0.20 . 1 . 720 . . 65 ALA C . 19653 1
788 . 1 1 65 65 ALA CA C 13 55.546 0.20 . 1 . 721 . . 65 ALA CA . 19653 1
789 . 1 1 65 65 ALA CB C 13 18.556 0.20 . 1 . 722 . . 65 ALA CB . 19653 1
790 . 1 1 65 65 ALA N N 15 124.114 0.20 . 1 . 726 . . 65 ALA N . 19653 1
791 . 1 1 66 66 GLU H H 1 8.552 0.02 . 1 . 731 . . 66 GLU H . 19653 1
792 . 1 1 66 66 GLU HA H 1 4.049 0.02 . 1 . 732 . . 66 GLU HA . 19653 1
793 . 1 1 66 66 GLU HB2 H 1 2.208 0.02 . 2 . 734 . . 66 GLU HB2 . 19653 1
794 . 1 1 66 66 GLU HB3 H 1 2.105 0.02 . 2 . 733 . . 66 GLU HB3 . 19653 1
795 . 1 1 66 66 GLU HG2 H 1 2.562 0.02 . 2 . 736 . . 66 GLU HG2 . 19653 1
796 . 1 1 66 66 GLU HG3 H 1 2.251 0.02 . 2 . 735 . . 66 GLU HG3 . 19653 1
797 . 1 1 66 66 GLU C C 13 180.600 0.20 . 1 . 727 . . 66 GLU C . 19653 1
798 . 1 1 66 66 GLU CA C 13 59.727 0.20 . 1 . 728 . . 66 GLU CA . 19653 1
799 . 1 1 66 66 GLU CB C 13 29.206 0.20 . 1 . 729 . . 66 GLU CB . 19653 1
800 . 1 1 66 66 GLU CG C 13 36.865 0.20 . 1 . 730 . . 66 GLU CG . 19653 1
801 . 1 1 66 66 GLU N N 15 119.113 0.20 . 1 . 737 . . 66 GLU N . 19653 1
802 . 1 1 67 67 ARG H H 1 7.891 0.02 . 1 . 743 . . 67 ARG H . 19653 1
803 . 1 1 67 67 ARG HA H 1 3.983 0.02 . 1 . 744 . . 67 ARG HA . 19653 1
804 . 1 1 67 67 ARG HB2 H 1 2.058 0.02 . 2 . 746 . . 67 ARG HB2 . 19653 1
805 . 1 1 67 67 ARG HB3 H 1 2.358 0.02 . 2 . 745 . . 67 ARG HB3 . 19653 1
806 . 1 1 67 67 ARG HG2 H 1 2.100 0.02 . 2 . 750 . . 67 ARG HG2 . 19653 1
807 . 1 1 67 67 ARG HG3 H 1 1.719 0.02 . 2 . 749 . . 67 ARG HG3 . 19653 1
808 . 1 1 67 67 ARG HD2 H 1 3.601 0.02 . 2 . 748 . . 67 ARG HD2 . 19653 1
809 . 1 1 67 67 ARG HD3 H 1 3.422 0.02 . 2 . 747 . . 67 ARG HD3 . 19653 1
810 . 1 1 67 67 ARG C C 13 178.478 0.20 . 1 . 738 . . 67 ARG C . 19653 1
811 . 1 1 67 67 ARG CA C 13 60.276 0.20 . 1 . 739 . . 67 ARG CA . 19653 1
812 . 1 1 67 67 ARG CB C 13 31.206 0.20 . 1 . 740 . . 67 ARG CB . 19653 1
813 . 1 1 67 67 ARG CG C 13 29.335 0.20 . 1 . 742 . . 67 ARG CG . 19653 1
814 . 1 1 67 67 ARG CD C 13 44.059 0.20 . 1 . 741 . . 67 ARG CD . 19653 1
815 . 1 1 67 67 ARG N N 15 118.864 0.20 . 1 . 751 . . 67 ARG N . 19653 1
816 . 1 1 68 68 ALA H H 1 7.914 0.02 . 1 . 755 . . 68 ALA H . 19653 1
817 . 1 1 68 68 ALA HA H 1 1.940 0.02 . 1 . 756 . . 68 ALA HA . 19653 1
818 . 1 1 68 68 ALA HB1 H 1 1.424 0.02 . 1 . 757 . . 68 ALA HB1 . 19653 1
819 . 1 1 68 68 ALA HB2 H 1 1.424 0.02 . 1 . 757 . . 68 ALA HB2 . 19653 1
820 . 1 1 68 68 ALA HB3 H 1 1.424 0.02 . 1 . 757 . . 68 ALA HB3 . 19653 1
821 . 1 1 68 68 ALA C C 13 176.592 0.20 . 1 . 752 . . 68 ALA C . 19653 1
822 . 1 1 68 68 ALA CA C 13 53.201 0.20 . 1 . 753 . . 68 ALA CA . 19653 1
823 . 1 1 68 68 ALA CB C 13 20.075 0.20 . 1 . 754 . . 68 ALA CB . 19653 1
824 . 1 1 68 68 ALA N N 15 121.171 0.20 . 1 . 758 . . 68 ALA N . 19653 1
825 . 1 1 69 69 CYS H H 1 7.175 0.02 . 1 . 762 . . 69 CYS H . 19653 1
826 . 1 1 69 69 CYS HA H 1 4.260 0.02 . 1 . 763 . . 69 CYS HA . 19653 1
827 . 1 1 69 69 CYS HB2 H 1 2.807 0.02 . 2 . 765 . . 69 CYS HB2 . 19653 1
828 . 1 1 69 69 CYS HB3 H 1 3.047 0.02 . 2 . 764 . . 69 CYS HB3 . 19653 1
829 . 1 1 69 69 CYS C C 13 174.407 0.20 . 1 . 759 . . 69 CYS C . 19653 1
830 . 1 1 69 69 CYS CA C 13 59.692 0.20 . 1 . 760 . . 69 CYS CA . 19653 1
831 . 1 1 69 69 CYS CB C 13 28.579 0.20 . 1 . 761 . . 69 CYS CB . 19653 1
832 . 1 1 69 69 CYS N N 15 110.915 0.20 . 1 . 766 . . 69 CYS N . 19653 1
833 . 1 1 70 70 LYS H H 1 7.037 0.02 . 1 . 773 . . 70 LYS H . 19653 1
834 . 1 1 70 70 LYS HA H 1 3.890 0.02 . 1 . 774 . . 70 LYS HA . 19653 1
835 . 1 1 70 70 LYS HB2 H 1 1.910 0.02 . 2 . 776 . . 70 LYS HB2 . 19653 1
836 . 1 1 70 70 LYS HB3 H 1 1.820 0.02 . 2 . 775 . . 70 LYS HB3 . 19653 1
837 . 1 1 70 70 LYS HG2 H 1 1.578 0.02 . 2 . 782 . . 70 LYS HG2 . 19653 1
838 . 1 1 70 70 LYS HG3 H 1 1.555 0.02 . 2 . 781 . . 70 LYS HG3 . 19653 1
839 . 1 1 70 70 LYS HD2 H 1 1.777 0.02 . 2 . 778 . . 70 LYS HD2 . 19653 1
840 . 1 1 70 70 LYS HD3 H 1 1.739 0.02 . 2 . 777 . . 70 LYS HD3 . 19653 1
841 . 1 1 70 70 LYS HE2 H 1 3.013 0.02 . 1 . 780 . . 70 LYS HE2 . 19653 1
842 . 1 1 70 70 LYS HE3 H 1 3.013 0.02 . 1 . 779 . . 70 LYS HE3 . 19653 1
843 . 1 1 70 70 LYS C C 13 176.497 0.20 . 1 . 767 . . 70 LYS C . 19653 1
844 . 1 1 70 70 LYS CA C 13 59.436 0.20 . 1 . 768 . . 70 LYS CA . 19653 1
845 . 1 1 70 70 LYS CB C 13 32.420 0.20 . 1 . 769 . . 70 LYS CB . 19653 1
846 . 1 1 70 70 LYS CG C 13 24.654 0.20 . 1 . 772 . . 70 LYS CG . 19653 1
847 . 1 1 70 70 LYS CD C 13 28.778 0.20 . 1 . 770 . . 70 LYS CD . 19653 1
848 . 1 1 70 70 LYS CE C 13 41.936 0.20 . 1 . 771 . . 70 LYS CE . 19653 1
849 . 1 1 70 70 LYS N N 15 121.855 0.20 . 1 . 783 . . 70 LYS N . 19653 1
850 . 1 1 71 71 ASP H H 1 7.792 0.02 . 1 . 786 . . 71 ASP H . 19653 1
851 . 1 1 71 71 ASP HA H 1 5.144 0.02 . 1 . 787 . . 71 ASP HA . 19653 1
852 . 1 1 71 71 ASP HB2 H 1 2.823 0.02 . 2 . 789 . . 71 ASP HB2 . 19653 1
853 . 1 1 71 71 ASP HB3 H 1 2.496 0.02 . 2 . 788 . . 71 ASP HB3 . 19653 1
854 . 1 1 71 71 ASP CA C 13 49.450 0.20 . 1 . 784 . . 71 ASP CA . 19653 1
855 . 1 1 71 71 ASP CB C 13 40.782 0.20 . 1 . 785 . . 71 ASP CB . 19653 1
856 . 1 1 71 71 ASP N N 15 116.739 0.20 . 1 . 790 . . 71 ASP N . 19653 1
857 . 1 1 72 72 PRO HA H 1 4.702 0.02 . 1 . 796 . . 72 PRO HA . 19653 1
858 . 1 1 72 72 PRO HB2 H 1 2.158 0.02 . 2 . 798 . . 72 PRO HB2 . 19653 1
859 . 1 1 72 72 PRO HB3 H 1 2.509 0.02 . 2 . 797 . . 72 PRO HB3 . 19653 1
860 . 1 1 72 72 PRO HG2 H 1 2.091 0.02 . 1 . 802 . . 72 PRO HG2 . 19653 1
861 . 1 1 72 72 PRO HG3 H 1 2.091 0.02 . 1 . 801 . . 72 PRO HG3 . 19653 1
862 . 1 1 72 72 PRO HD2 H 1 4.103 0.02 . 2 . 800 . . 72 PRO HD2 . 19653 1
863 . 1 1 72 72 PRO HD3 H 1 4.014 0.02 . 2 . 799 . . 72 PRO HD3 . 19653 1
864 . 1 1 72 72 PRO C C 13 176.700 0.20 . 1 . 791 . . 72 PRO C . 19653 1
865 . 1 1 72 72 PRO CA C 13 63.335 0.20 . 1 . 792 . . 72 PRO CA . 19653 1
866 . 1 1 72 72 PRO CB C 13 33.177 0.20 . 1 . 793 . . 72 PRO CB . 19653 1
867 . 1 1 72 72 PRO CG C 13 26.365 0.20 . 1 . 795 . . 72 PRO CG . 19653 1
868 . 1 1 72 72 PRO CD C 13 50.872 0.20 . 1 . 794 . . 72 PRO CD . 19653 1
869 . 1 1 73 73 ASN H H 1 8.171 0.02 . 1 . 805 . . 73 ASN H . 19653 1
870 . 1 1 73 73 ASN HA H 1 6.045 0.02 . 1 . 806 . . 73 ASN HA . 19653 1
871 . 1 1 73 73 ASN HB2 H 1 2.806 0.02 . 2 . 808 . . 73 ASN HB2 . 19653 1
872 . 1 1 73 73 ASN HB3 H 1 2.434 0.02 . 2 . 807 . . 73 ASN HB3 . 19653 1
873 . 1 1 73 73 ASN HD21 H 1 8.136 0.02 . 1 . 809 . . 73 ASN HD21 . 19653 1
874 . 1 1 73 73 ASN HD22 H 1 6.897 0.02 . 1 . 810 . . 73 ASN HD22 . 19653 1
875 . 1 1 73 73 ASN CA C 13 51.067 0.20 . 1 . 803 . . 73 ASN CA . 19653 1
876 . 1 1 73 73 ASN CB C 13 41.900 0.20 . 1 . 804 . . 73 ASN CB . 19653 1
877 . 1 1 73 73 ASN N N 15 116.682 0.20 . 1 . 811 . . 73 ASN N . 19653 1
878 . 1 1 73 73 ASN ND2 N 15 113.829 0.20 . 1 . 812 . . 73 ASN ND2 . 19653 1
879 . 1 1 74 74 PRO HA H 1 4.478 0.02 . 1 . 818 . . 74 PRO HA . 19653 1
880 . 1 1 74 74 PRO HB2 H 1 1.578 0.02 . 2 . 820 . . 74 PRO HB2 . 19653 1
881 . 1 1 74 74 PRO HB3 H 1 2.123 0.02 . 2 . 819 . . 74 PRO HB3 . 19653 1
882 . 1 1 74 74 PRO HG2 H 1 2.005 0.02 . 1 . 824 . . 74 PRO HG2 . 19653 1
883 . 1 1 74 74 PRO HG3 H 1 2.005 0.02 . 1 . 823 . . 74 PRO HG3 . 19653 1
884 . 1 1 74 74 PRO HD2 H 1 3.171 0.02 . 2 . 822 . . 74 PRO HD2 . 19653 1
885 . 1 1 74 74 PRO HD3 H 1 3.592 0.02 . 2 . 821 . . 74 PRO HD3 . 19653 1
886 . 1 1 74 74 PRO C C 13 174.432 0.20 . 1 . 813 . . 74 PRO C . 19653 1
887 . 1 1 74 74 PRO CA C 13 62.886 0.20 . 1 . 814 . . 74 PRO CA . 19653 1
888 . 1 1 74 74 PRO CB C 13 32.543 0.20 . 1 . 815 . . 74 PRO CB . 19653 1
889 . 1 1 74 74 PRO CG C 13 26.692 0.20 . 1 . 817 . . 74 PRO CG . 19653 1
890 . 1 1 74 74 PRO CD C 13 49.151 0.20 . 1 . 816 . . 74 PRO CD . 19653 1
891 . 1 1 75 75 ILE H H 1 8.084 0.02 . 1 . 831 . . 75 ILE H . 19653 1
892 . 1 1 75 75 ILE HA H 1 4.163 0.02 . 1 . 832 . . 75 ILE HA . 19653 1
893 . 1 1 75 75 ILE HB H 1 1.807 0.02 . 1 . 833 . . 75 ILE HB . 19653 1
894 . 1 1 75 75 ILE HG12 H 1 1.151 0.02 . 2 . 836 . . 75 ILE HG12 . 19653 1
895 . 1 1 75 75 ILE HG13 H 1 1.468 0.02 . 2 . 835 . . 75 ILE HG13 . 19653 1
896 . 1 1 75 75 ILE HG21 H 1 0.559 0.02 . 1 . 837 . . 75 ILE HG21 . 19653 1
897 . 1 1 75 75 ILE HG22 H 1 0.559 0.02 . 1 . 837 . . 75 ILE HG22 . 19653 1
898 . 1 1 75 75 ILE HG23 H 1 0.559 0.02 . 1 . 837 . . 75 ILE HG23 . 19653 1
899 . 1 1 75 75 ILE HD11 H 1 0.715 0.02 . 1 . 834 . . 75 ILE HD11 . 19653 1
900 . 1 1 75 75 ILE HD12 H 1 0.715 0.02 . 1 . 834 . . 75 ILE HD12 . 19653 1
901 . 1 1 75 75 ILE HD13 H 1 0.715 0.02 . 1 . 834 . . 75 ILE HD13 . 19653 1
902 . 1 1 75 75 ILE C C 13 175.482 0.20 . 1 . 825 . . 75 ILE C . 19653 1
903 . 1 1 75 75 ILE CA C 13 59.749 0.20 . 1 . 826 . . 75 ILE CA . 19653 1
904 . 1 1 75 75 ILE CB C 13 35.897 0.20 . 1 . 827 . . 75 ILE CB . 19653 1
905 . 1 1 75 75 ILE CG1 C 13 27.401 0.20 . 1 . 829 . . 75 ILE CG1 . 19653 1
906 . 1 1 75 75 ILE CG2 C 13 17.333 0.20 . 1 . 830 . . 75 ILE CG2 . 19653 1
907 . 1 1 75 75 ILE CD1 C 13 11.050 0.20 . 1 . 828 . . 75 ILE CD1 . 19653 1
908 . 1 1 75 75 ILE N N 15 118.820 0.20 . 1 . 838 . . 75 ILE N . 19653 1
909 . 1 1 76 76 ILE H H 1 8.354 0.02 . 1 . 845 . . 76 ILE H . 19653 1
910 . 1 1 76 76 ILE HA H 1 3.778 0.02 . 1 . 846 . . 76 ILE HA . 19653 1
911 . 1 1 76 76 ILE HB H 1 1.316 0.02 . 1 . 847 . . 76 ILE HB . 19653 1
912 . 1 1 76 76 ILE HG12 H 1 -0.484 0.02 . 2 . 850 . . 76 ILE HG12 . 19653 1
913 . 1 1 76 76 ILE HG13 H 1 0.787 0.02 . 2 . 849 . . 76 ILE HG13 . 19653 1
914 . 1 1 76 76 ILE HG21 H 1 0.456 0.02 . 1 . 851 . . 76 ILE HG21 . 19653 1
915 . 1 1 76 76 ILE HG22 H 1 0.456 0.02 . 1 . 851 . . 76 ILE HG22 . 19653 1
916 . 1 1 76 76 ILE HG23 H 1 0.456 0.02 . 1 . 851 . . 76 ILE HG23 . 19653 1
917 . 1 1 76 76 ILE HD11 H 1 0.243 0.02 . 1 . 848 . . 76 ILE HD11 . 19653 1
918 . 1 1 76 76 ILE HD12 H 1 0.243 0.02 . 1 . 848 . . 76 ILE HD12 . 19653 1
919 . 1 1 76 76 ILE HD13 H 1 0.243 0.02 . 1 . 848 . . 76 ILE HD13 . 19653 1
920 . 1 1 76 76 ILE C C 13 174.338 0.20 . 1 . 839 . . 76 ILE C . 19653 1
921 . 1 1 76 76 ILE CA C 13 60.787 0.20 . 1 . 840 . . 76 ILE CA . 19653 1
922 . 1 1 76 76 ILE CB C 13 39.723 0.20 . 1 . 841 . . 76 ILE CB . 19653 1
923 . 1 1 76 76 ILE CG1 C 13 25.685 0.20 . 1 . 843 . . 76 ILE CG1 . 19653 1
924 . 1 1 76 76 ILE CG2 C 13 15.701 0.20 . 1 . 844 . . 76 ILE CG2 . 19653 1
925 . 1 1 76 76 ILE CD1 C 13 13.974 0.20 . 1 . 842 . . 76 ILE CD1 . 19653 1
926 . 1 1 76 76 ILE N N 15 128.491 0.20 . 1 . 852 . . 76 ILE N . 19653 1
927 . 1 1 77 77 ASP H H 1 8.953 0.02 . 1 . 856 . . 77 ASP H . 19653 1
928 . 1 1 77 77 ASP HA H 1 4.227 0.02 . 1 . 857 . . 77 ASP HA . 19653 1
929 . 1 1 77 77 ASP HB2 H 1 3.016 0.02 . 2 . 859 . . 77 ASP HB2 . 19653 1
930 . 1 1 77 77 ASP HB3 H 1 2.245 0.02 . 2 . 858 . . 77 ASP HB3 . 19653 1
931 . 1 1 77 77 ASP C C 13 175.929 0.20 . 1 . 853 . . 77 ASP C . 19653 1
932 . 1 1 77 77 ASP CA C 13 54.756 0.20 . 1 . 854 . . 77 ASP CA . 19653 1
933 . 1 1 77 77 ASP CB C 13 40.138 0.20 . 1 . 855 . . 77 ASP CB . 19653 1
934 . 1 1 77 77 ASP N N 15 125.923 0.20 . 1 . 860 . . 77 ASP N . 19653 1
935 . 1 1 78 78 GLY H H 1 7.980 0.02 . 1 . 863 . . 78 GLY H . 19653 1
936 . 1 1 78 78 GLY HA2 H 1 4.148 0.02 . 2 . 865 . . 78 GLY HA2 . 19653 1
937 . 1 1 78 78 GLY HA3 H 1 3.450 0.02 . 2 . 864 . . 78 GLY HA3 . 19653 1
938 . 1 1 78 78 GLY C C 13 173.322 0.20 . 1 . 861 . . 78 GLY C . 19653 1
939 . 1 1 78 78 GLY CA C 13 45.397 0.20 . 1 . 862 . . 78 GLY CA . 19653 1
940 . 1 1 78 78 GLY N N 15 99.917 0.20 . 1 . 866 . . 78 GLY N . 19653 1
941 . 1 1 79 79 ARG H H 1 7.794 0.02 . 1 . 872 . . 79 ARG H . 19653 1
942 . 1 1 79 79 ARG HA H 1 4.609 0.02 . 1 . 873 . . 79 ARG HA . 19653 1
943 . 1 1 79 79 ARG HB2 H 1 1.504 0.02 . 2 . 875 . . 79 ARG HB2 . 19653 1
944 . 1 1 79 79 ARG HB3 H 1 1.676 0.02 . 2 . 874 . . 79 ARG HB3 . 19653 1
945 . 1 1 79 79 ARG HG2 H 1 1.793 0.02 . 2 . 880 . . 79 ARG HG2 . 19653 1
946 . 1 1 79 79 ARG HG3 H 1 1.438 0.02 . 2 . 879 . . 79 ARG HG3 . 19653 1
947 . 1 1 79 79 ARG HD2 H 1 2.897 0.02 . 2 . 877 . . 79 ARG HD2 . 19653 1
948 . 1 1 79 79 ARG HD3 H 1 2.738 0.02 . 2 . 876 . . 79 ARG HD3 . 19653 1
949 . 1 1 79 79 ARG HE H 1 6.736 0.02 . 1 . 878 . . 79 ARG HE . 19653 1
950 . 1 1 79 79 ARG C C 13 173.401 0.20 . 1 . 867 . . 79 ARG C . 19653 1
951 . 1 1 79 79 ARG CA C 13 54.583 0.20 . 1 . 868 . . 79 ARG CA . 19653 1
952 . 1 1 79 79 ARG CB C 13 35.134 0.20 . 1 . 869 . . 79 ARG CB . 19653 1
953 . 1 1 79 79 ARG CG C 13 28.668 0.20 . 1 . 871 . . 79 ARG CG . 19653 1
954 . 1 1 79 79 ARG CD C 13 42.737 0.20 . 1 . 870 . . 79 ARG CD . 19653 1
955 . 1 1 79 79 ARG N N 15 123.790 0.20 . 1 . 881 . . 79 ARG N . 19653 1
956 . 1 1 79 79 ARG NE N 15 85.471 0.20 . 1 . 882 . . 79 ARG NE . 19653 1
957 . 1 1 80 80 LYS H H 1 8.711 0.02 . 1 . 889 . . 80 LYS H . 19653 1
958 . 1 1 80 80 LYS HA H 1 4.146 0.02 . 1 . 890 . . 80 LYS HA . 19653 1
959 . 1 1 80 80 LYS HB2 H 1 1.608 0.02 . 2 . 892 . . 80 LYS HB2 . 19653 1
960 . 1 1 80 80 LYS HB3 H 1 1.675 0.02 . 2 . 891 . . 80 LYS HB3 . 19653 1
961 . 1 1 80 80 LYS HG2 H 1 1.323 0.02 . 2 . 898 . . 80 LYS HG2 . 19653 1
962 . 1 1 80 80 LYS HG3 H 1 1.341 0.02 . 2 . 897 . . 80 LYS HG3 . 19653 1
963 . 1 1 80 80 LYS HD2 H 1 1.633 0.02 . 1 . 894 . . 80 LYS HD2 . 19653 1
964 . 1 1 80 80 LYS HD3 H 1 1.633 0.02 . 1 . 893 . . 80 LYS HD3 . 19653 1
965 . 1 1 80 80 LYS HE2 H 1 2.885 0.02 . 1 . 896 . . 80 LYS HE2 . 19653 1
966 . 1 1 80 80 LYS HE3 H 1 2.885 0.02 . 1 . 895 . . 80 LYS HE3 . 19653 1
967 . 1 1 80 80 LYS C C 13 174.190 0.20 . 1 . 883 . . 80 LYS C . 19653 1
968 . 1 1 80 80 LYS CA C 13 57.706 0.20 . 1 . 884 . . 80 LYS CA . 19653 1
969 . 1 1 80 80 LYS CB C 13 32.097 0.20 . 1 . 885 . . 80 LYS CB . 19653 1
970 . 1 1 80 80 LYS CG C 13 24.604 0.20 . 1 . 888 . . 80 LYS CG . 19653 1
971 . 1 1 80 80 LYS CD C 13 29.360 0.20 . 1 . 886 . . 80 LYS CD . 19653 1
972 . 1 1 80 80 LYS CE C 13 41.462 0.20 . 1 . 887 . . 80 LYS CE . 19653 1
973 . 1 1 80 80 LYS N N 15 126.963 0.20 . 1 . 899 . . 80 LYS N . 19653 1
974 . 1 1 81 81 ALA H H 1 8.986 0.02 . 1 . 903 . . 81 ALA H . 19653 1
975 . 1 1 81 81 ALA HA H 1 4.755 0.02 . 1 . 904 . . 81 ALA HA . 19653 1
976 . 1 1 81 81 ALA HB1 H 1 1.314 0.02 . 1 . 905 . . 81 ALA HB1 . 19653 1
977 . 1 1 81 81 ALA HB2 H 1 1.314 0.02 . 1 . 905 . . 81 ALA HB2 . 19653 1
978 . 1 1 81 81 ALA HB3 H 1 1.314 0.02 . 1 . 905 . . 81 ALA HB3 . 19653 1
979 . 1 1 81 81 ALA C C 13 175.104 0.20 . 1 . 900 . . 81 ALA C . 19653 1
980 . 1 1 81 81 ALA CA C 13 51.059 0.20 . 1 . 901 . . 81 ALA CA . 19653 1
981 . 1 1 81 81 ALA CB C 13 21.303 0.20 . 1 . 902 . . 81 ALA CB . 19653 1
982 . 1 1 81 81 ALA N N 15 134.549 0.20 . 1 . 906 . . 81 ALA N . 19653 1
983 . 1 1 82 82 ASN H H 1 8.213 0.02 . 1 . 910 . . 82 ASN H . 19653 1
984 . 1 1 82 82 ASN HA H 1 5.434 0.02 . 1 . 911 . . 82 ASN HA . 19653 1
985 . 1 1 82 82 ASN HB2 H 1 2.799 0.02 . 2 . 913 . . 82 ASN HB2 . 19653 1
986 . 1 1 82 82 ASN HB3 H 1 2.804 0.02 . 2 . 912 . . 82 ASN HB3 . 19653 1
987 . 1 1 82 82 ASN HD21 H 1 8.188 0.02 . 1 . 914 . . 82 ASN HD21 . 19653 1
988 . 1 1 82 82 ASN HD22 H 1 7.141 0.02 . 1 . 915 . . 82 ASN HD22 . 19653 1
989 . 1 1 82 82 ASN C C 13 173.453 0.20 . 1 . 907 . . 82 ASN C . 19653 1
990 . 1 1 82 82 ASN CA C 13 52.715 0.20 . 1 . 908 . . 82 ASN CA . 19653 1
991 . 1 1 82 82 ASN CB C 13 40.884 0.20 . 1 . 909 . . 82 ASN CB . 19653 1
992 . 1 1 82 82 ASN N N 15 116.251 0.20 . 1 . 916 . . 82 ASN N . 19653 1
993 . 1 1 82 82 ASN ND2 N 15 114.222 0.20 . 1 . 917 . . 82 ASN ND2 . 19653 1
994 . 1 1 83 83 VAL H H 1 8.990 0.02 . 1 . 923 . . 83 VAL H . 19653 1
995 . 1 1 83 83 VAL HA H 1 5.200 0.02 . 1 . 924 . . 83 VAL HA . 19653 1
996 . 1 1 83 83 VAL HB H 1 2.016 0.02 . 1 . 925 . . 83 VAL HB . 19653 1
997 . 1 1 83 83 VAL HG11 H 1 1.057 0.02 . 1 . 926 . . 83 VAL HG11 . 19653 1
998 . 1 1 83 83 VAL HG12 H 1 1.057 0.02 . 1 . 926 . . 83 VAL HG12 . 19653 1
999 . 1 1 83 83 VAL HG13 H 1 1.057 0.02 . 1 . 926 . . 83 VAL HG13 . 19653 1
1000 . 1 1 83 83 VAL HG21 H 1 1.021 0.02 . 1 . 927 . . 83 VAL HG21 . 19653 1
1001 . 1 1 83 83 VAL HG22 H 1 1.021 0.02 . 1 . 927 . . 83 VAL HG22 . 19653 1
1002 . 1 1 83 83 VAL HG23 H 1 1.021 0.02 . 1 . 927 . . 83 VAL HG23 . 19653 1
1003 . 1 1 83 83 VAL C C 13 175.842 0.20 . 1 . 918 . . 83 VAL C . 19653 1
1004 . 1 1 83 83 VAL CA C 13 60.800 0.20 . 1 . 919 . . 83 VAL CA . 19653 1
1005 . 1 1 83 83 VAL CB C 13 35.345 0.20 . 1 . 920 . . 83 VAL CB . 19653 1
1006 . 1 1 83 83 VAL CG1 C 13 22.738 0.20 . 1 . 921 . . 83 VAL CG1 . 19653 1
1007 . 1 1 83 83 VAL CG2 C 13 23.011 0.20 . 1 . 922 . . 83 VAL CG2 . 19653 1
1008 . 1 1 83 83 VAL N N 15 122.269 0.20 . 1 . 928 . . 83 VAL N . 19653 1
1009 . 1 1 84 84 ASN H H 1 8.692 0.02 . 1 . 932 . . 84 ASN H . 19653 1
1010 . 1 1 84 84 ASN HA H 1 4.941 0.02 . 1 . 933 . . 84 ASN HA . 19653 1
1011 . 1 1 84 84 ASN HB2 H 1 2.788 0.02 . 2 . 935 . . 84 ASN HB2 . 19653 1
1012 . 1 1 84 84 ASN HB3 H 1 3.006 0.02 . 2 . 934 . . 84 ASN HB3 . 19653 1
1013 . 1 1 84 84 ASN HD21 H 1 7.079 0.02 . 1 . 936 . . 84 ASN HD21 . 19653 1
1014 . 1 1 84 84 ASN HD22 H 1 6.597 0.02 . 1 . 937 . . 84 ASN HD22 . 19653 1
1015 . 1 1 84 84 ASN C C 13 173.846 0.20 . 1 . 929 . . 84 ASN C . 19653 1
1016 . 1 1 84 84 ASN CA C 13 53.023 0.20 . 1 . 930 . . 84 ASN CA . 19653 1
1017 . 1 1 84 84 ASN CB C 13 42.256 0.20 . 1 . 931 . . 84 ASN CB . 19653 1
1018 . 1 1 84 84 ASN N N 15 119.022 0.20 . 1 . 938 . . 84 ASN N . 19653 1
1019 . 1 1 84 84 ASN ND2 N 15 112.226 0.20 . 1 . 939 . . 84 ASN ND2 . 19653 1
1020 . 1 1 85 85 LEU H H 1 9.353 0.02 . 1 . 946 . . 85 LEU H . 19653 1
1021 . 1 1 85 85 LEU HA H 1 4.479 0.02 . 1 . 947 . . 85 LEU HA . 19653 1
1022 . 1 1 85 85 LEU HB2 H 1 1.886 0.02 . 2 . 949 . . 85 LEU HB2 . 19653 1
1023 . 1 1 85 85 LEU HB3 H 1 1.815 0.02 . 2 . 948 . . 85 LEU HB3 . 19653 1
1024 . 1 1 85 85 LEU HG H 1 2.089 0.02 . 1 . 952 . . 85 LEU HG . 19653 1
1025 . 1 1 85 85 LEU HD11 H 1 1.346 0.02 . 1 . 950 . . 85 LEU HD11 . 19653 1
1026 . 1 1 85 85 LEU HD12 H 1 1.346 0.02 . 1 . 950 . . 85 LEU HD12 . 19653 1
1027 . 1 1 85 85 LEU HD13 H 1 1.346 0.02 . 1 . 950 . . 85 LEU HD13 . 19653 1
1028 . 1 1 85 85 LEU HD21 H 1 0.892 0.02 . 1 . 951 . . 85 LEU HD21 . 19653 1
1029 . 1 1 85 85 LEU HD22 H 1 0.892 0.02 . 1 . 951 . . 85 LEU HD22 . 19653 1
1030 . 1 1 85 85 LEU HD23 H 1 0.892 0.02 . 1 . 951 . . 85 LEU HD23 . 19653 1
1031 . 1 1 85 85 LEU C C 13 179.558 0.20 . 1 . 940 . . 85 LEU C . 19653 1
1032 . 1 1 85 85 LEU CA C 13 56.926 0.20 . 1 . 941 . . 85 LEU CA . 19653 1
1033 . 1 1 85 85 LEU CB C 13 41.727 0.20 . 1 . 942 . . 85 LEU CB . 19653 1
1034 . 1 1 85 85 LEU CG C 13 27.199 0.20 . 1 . 945 . . 85 LEU CG . 19653 1
1035 . 1 1 85 85 LEU CD1 C 13 26.450 0.20 . 1 . 943 . . 85 LEU CD1 . 19653 1
1036 . 1 1 85 85 LEU CD2 C 13 23.116 0.20 . 1 . 944 . . 85 LEU CD2 . 19653 1
1037 . 1 1 85 85 LEU N N 15 123.865 0.20 . 1 . 953 . . 85 LEU N . 19653 1
1038 . 1 1 86 86 ALA H H 1 9.636 0.02 . 1 . 957 . . 86 ALA H . 19653 1
1039 . 1 1 86 86 ALA HA H 1 4.131 0.02 . 1 . 958 . . 86 ALA HA . 19653 1
1040 . 1 1 86 86 ALA HB1 H 1 1.650 0.02 . 1 . 959 . . 86 ALA HB1 . 19653 1
1041 . 1 1 86 86 ALA HB2 H 1 1.650 0.02 . 1 . 959 . . 86 ALA HB2 . 19653 1
1042 . 1 1 86 86 ALA HB3 H 1 1.650 0.02 . 1 . 959 . . 86 ALA HB3 . 19653 1
1043 . 1 1 86 86 ALA C C 13 180.316 0.20 . 1 . 954 . . 86 ALA C . 19653 1
1044 . 1 1 86 86 ALA CA C 13 55.486 0.20 . 1 . 955 . . 86 ALA CA . 19653 1
1045 . 1 1 86 86 ALA CB C 13 17.749 0.20 . 1 . 956 . . 86 ALA CB . 19653 1
1046 . 1 1 86 86 ALA N N 15 127.979 0.20 . 1 . 960 . . 86 ALA N . 19653 1
1047 . 1 1 87 87 TYR H H 1 9.059 0.02 . 1 . 968 . . 87 TYR H . 19653 1
1048 . 1 1 87 87 TYR HA H 1 4.439 0.02 . 1 . 969 . . 87 TYR HA . 19653 1
1049 . 1 1 87 87 TYR HB2 H 1 3.227 0.02 . 2 . 971 . . 87 TYR HB2 . 19653 1
1050 . 1 1 87 87 TYR HB3 H 1 2.939 0.02 . 2 . 970 . . 87 TYR HB3 . 19653 1
1051 . 1 1 87 87 TYR HD1 H 1 7.095 0.02 . 3 . 972 . . 87 TYR HD1 . 19653 1
1052 . 1 1 87 87 TYR HD2 H 1 7.095 0.02 . 3 . 973 . . 87 TYR HD2 . 19653 1
1053 . 1 1 87 87 TYR HE1 H 1 6.727 0.02 . 3 . 974 . . 87 TYR HE1 . 19653 1
1054 . 1 1 87 87 TYR HE2 H 1 6.727 0.02 . 3 . 975 . . 87 TYR HE2 . 19653 1
1055 . 1 1 87 87 TYR C C 13 175.712 0.20 . 1 . 961 . . 87 TYR C . 19653 1
1056 . 1 1 87 87 TYR CA C 13 59.590 0.20 . 1 . 962 . . 87 TYR CA . 19653 1
1057 . 1 1 87 87 TYR CB C 13 36.961 0.20 . 1 . 963 . . 87 TYR CB . 19653 1
1058 . 1 1 87 87 TYR CD1 C 13 133.272 0.20 . 3 . 964 . . 87 TYR CD1 . 19653 1
1059 . 1 1 87 87 TYR CD2 C 13 133.272 0.20 . 3 . 965 . . 87 TYR CD2 . 19653 1
1060 . 1 1 87 87 TYR CE1 C 13 118.133 0.20 . 3 . 966 . . 87 TYR CE1 . 19653 1
1061 . 1 1 87 87 TYR CE2 C 13 118.133 0.20 . 3 . 967 . . 87 TYR CE2 . 19653 1
1062 . 1 1 87 87 TYR N N 15 115.674 0.20 . 1 . 976 . . 87 TYR N . 19653 1
1063 . 1 1 88 88 LEU H H 1 6.806 0.02 . 1 . 983 . . 88 LEU H . 19653 1
1064 . 1 1 88 88 LEU HA H 1 3.680 0.02 . 1 . 984 . . 88 LEU HA . 19653 1
1065 . 1 1 88 88 LEU HB2 H 1 1.380 0.02 . 2 . 986 . . 88 LEU HB2 . 19653 1
1066 . 1 1 88 88 LEU HB3 H 1 1.502 0.02 . 2 . 985 . . 88 LEU HB3 . 19653 1
1067 . 1 1 88 88 LEU HG H 1 0.782 0.02 . 1 . 989 . . 88 LEU HG . 19653 1
1068 . 1 1 88 88 LEU HD11 H 1 0.959 0.02 . 1 . 987 . . 88 LEU HD11 . 19653 1
1069 . 1 1 88 88 LEU HD12 H 1 0.959 0.02 . 1 . 987 . . 88 LEU HD12 . 19653 1
1070 . 1 1 88 88 LEU HD13 H 1 0.959 0.02 . 1 . 987 . . 88 LEU HD13 . 19653 1
1071 . 1 1 88 88 LEU HD21 H 1 0.643 0.02 . 1 . 988 . . 88 LEU HD21 . 19653 1
1072 . 1 1 88 88 LEU HD22 H 1 0.643 0.02 . 1 . 988 . . 88 LEU HD22 . 19653 1
1073 . 1 1 88 88 LEU HD23 H 1 0.643 0.02 . 1 . 988 . . 88 LEU HD23 . 19653 1
1074 . 1 1 88 88 LEU C C 13 177.716 0.20 . 1 . 977 . . 88 LEU C . 19653 1
1075 . 1 1 88 88 LEU CA C 13 56.182 0.20 . 1 . 978 . . 88 LEU CA . 19653 1
1076 . 1 1 88 88 LEU CB C 13 42.138 0.20 . 1 . 979 . . 88 LEU CB . 19653 1
1077 . 1 1 88 88 LEU CG C 13 26.797 0.20 . 1 . 982 . . 88 LEU CG . 19653 1
1078 . 1 1 88 88 LEU CD1 C 13 26.014 0.20 . 1 . 980 . . 88 LEU CD1 . 19653 1
1079 . 1 1 88 88 LEU CD2 C 13 22.810 0.20 . 1 . 981 . . 88 LEU CD2 . 19653 1
1080 . 1 1 88 88 LEU N N 15 120.573 0.20 . 1 . 990 . . 88 LEU N . 19653 1
1081 . 1 1 89 89 GLY H H 1 7.024 0.02 . 1 . 993 . . 89 GLY H . 19653 1
1082 . 1 1 89 89 GLY HA2 H 1 3.332 0.02 . 2 . 995 . . 89 GLY HA2 . 19653 1
1083 . 1 1 89 89 GLY HA3 H 1 4.160 0.02 . 2 . 994 . . 89 GLY HA3 . 19653 1
1084 . 1 1 89 89 GLY C C 13 172.826 0.20 . 1 . 991 . . 89 GLY C . 19653 1
1085 . 1 1 89 89 GLY CA C 13 44.388 0.20 . 1 . 992 . . 89 GLY CA . 19653 1
1086 . 1 1 89 89 GLY N N 15 103.971 0.20 . 1 . 996 . . 89 GLY N . 19653 1
1087 . 1 1 90 90 ALA H H 1 7.060 0.02 . 1 . 1000 . . 90 ALA H . 19653 1
1088 . 1 1 90 90 ALA HA H 1 4.018 0.02 . 1 . 1001 . . 90 ALA HA . 19653 1
1089 . 1 1 90 90 ALA HB1 H 1 1.288 0.02 . 1 . 1002 . . 90 ALA HB1 . 19653 1
1090 . 1 1 90 90 ALA HB2 H 1 1.288 0.02 . 1 . 1002 . . 90 ALA HB2 . 19653 1
1091 . 1 1 90 90 ALA HB3 H 1 1.288 0.02 . 1 . 1002 . . 90 ALA HB3 . 19653 1
1092 . 1 1 90 90 ALA C C 13 176.731 0.20 . 1 . 997 . . 90 ALA C . 19653 1
1093 . 1 1 90 90 ALA CA C 13 51.935 0.20 . 1 . 998 . . 90 ALA CA . 19653 1
1094 . 1 1 90 90 ALA CB C 13 19.357 0.20 . 1 . 999 . . 90 ALA CB . 19653 1
1095 . 1 1 90 90 ALA N N 15 122.347 0.20 . 1 . 1003 . . 90 ALA N . 19653 1
1096 . 1 1 91 91 LYS H H 1 8.335 0.02 . 1 . 1009 . . 91 LYS H . 19653 1
1097 . 1 1 91 91 LYS HA H 1 4.551 0.02 . 1 . 1010 . . 91 LYS HA . 19653 1
1098 . 1 1 91 91 LYS HB2 H 1 1.696 0.02 . 2 . 1012 . . 91 LYS HB2 . 19653 1
1099 . 1 1 91 91 LYS HB3 H 1 1.814 0.02 . 2 . 1011 . . 91 LYS HB3 . 19653 1
1100 . 1 1 91 91 LYS HG2 H 1 1.490 0.02 . 2 . 1018 . . 91 LYS HG2 . 19653 1
1101 . 1 1 91 91 LYS HG3 H 1 1.425 0.02 . 2 . 1017 . . 91 LYS HG3 . 19653 1
1102 . 1 1 91 91 LYS HD2 H 1 1.699 0.02 . 1 . 1014 . . 91 LYS HD2 . 19653 1
1103 . 1 1 91 91 LYS HD3 H 1 1.699 0.02 . 1 . 1013 . . 91 LYS HD3 . 19653 1
1104 . 1 1 91 91 LYS HE2 H 1 3.001 0.02 . 1 . 1016 . . 91 LYS HE2 . 19653 1
1105 . 1 1 91 91 LYS HE3 H 1 3.001 0.02 . 1 . 1015 . . 91 LYS HE3 . 19653 1
1106 . 1 1 91 91 LYS CA C 13 54.088 0.20 . 1 . 1004 . . 91 LYS CA . 19653 1
1107 . 1 1 91 91 LYS CB C 13 32.409 0.20 . 1 . 1005 . . 91 LYS CB . 19653 1
1108 . 1 1 91 91 LYS CG C 13 24.729 0.20 . 1 . 1008 . . 91 LYS CG . 19653 1
1109 . 1 1 91 91 LYS CD C 13 29.055 0.20 . 1 . 1006 . . 91 LYS CD . 19653 1
1110 . 1 1 91 91 LYS CE C 13 41.998 0.20 . 1 . 1007 . . 91 LYS CE . 19653 1
1111 . 1 1 91 91 LYS N N 15 122.411 0.20 . 1 . 1019 . . 91 LYS N . 19653 1
1112 . 1 1 92 92 PRO HA H 1 4.414 0.02 . 1 . 1025 . . 92 PRO HA . 19653 1
1113 . 1 1 92 92 PRO HB2 H 1 1.878 0.02 . 2 . 1027 . . 92 PRO HB2 . 19653 1
1114 . 1 1 92 92 PRO HB3 H 1 2.302 0.02 . 2 . 1026 . . 92 PRO HB3 . 19653 1
1115 . 1 1 92 92 PRO HG2 H 1 2.030 0.02 . 2 . 1031 . . 92 PRO HG2 . 19653 1
1116 . 1 1 92 92 PRO HG3 H 1 2.010 0.02 . 2 . 1030 . . 92 PRO HG3 . 19653 1
1117 . 1 1 92 92 PRO HD2 H 1 3.629 0.02 . 2 . 1029 . . 92 PRO HD2 . 19653 1
1118 . 1 1 92 92 PRO HD3 H 1 3.807 0.02 . 2 . 1028 . . 92 PRO HD3 . 19653 1
1119 . 1 1 92 92 PRO C C 13 176.703 0.20 . 1 . 1020 . . 92 PRO C . 19653 1
1120 . 1 1 92 92 PRO CA C 13 63.122 0.20 . 1 . 1021 . . 92 PRO CA . 19653 1
1121 . 1 1 92 92 PRO CB C 13 32.179 0.20 . 1 . 1022 . . 92 PRO CB . 19653 1
1122 . 1 1 92 92 PRO CG C 13 27.566 0.20 . 1 . 1024 . . 92 PRO CG . 19653 1
1123 . 1 1 92 92 PRO CD C 13 50.698 0.20 . 1 . 1023 . . 92 PRO CD . 19653 1
1124 . 1 1 93 93 ARG H H 1 8.542 0.02 . 1 . 1037 . . 93 ARG H . 19653 1
1125 . 1 1 93 93 ARG HA H 1 4.409 0.02 . 1 . 1038 . . 93 ARG HA . 19653 1
1126 . 1 1 93 93 ARG HB2 H 1 1.882 0.02 . 2 . 1040 . . 93 ARG HB2 . 19653 1
1127 . 1 1 93 93 ARG HB3 H 1 1.785 0.02 . 2 . 1039 . . 93 ARG HB3 . 19653 1
1128 . 1 1 93 93 ARG HG2 H 1 1.660 0.02 . 1 . 1044 . . 93 ARG HG2 . 19653 1
1129 . 1 1 93 93 ARG HG3 H 1 1.660 0.02 . 1 . 1043 . . 93 ARG HG3 . 19653 1
1130 . 1 1 93 93 ARG HD2 H 1 3.206 0.02 . 1 . 1042 . . 93 ARG HD2 . 19653 1
1131 . 1 1 93 93 ARG HD3 H 1 3.206 0.02 . 1 . 1041 . . 93 ARG HD3 . 19653 1
1132 . 1 1 93 93 ARG C C 13 176.430 0.20 . 1 . 1032 . . 93 ARG C . 19653 1
1133 . 1 1 93 93 ARG CA C 13 55.972 0.20 . 1 . 1033 . . 93 ARG CA . 19653 1
1134 . 1 1 93 93 ARG CB C 13 30.798 0.20 . 1 . 1034 . . 93 ARG CB . 19653 1
1135 . 1 1 93 93 ARG CG C 13 27.119 0.20 . 1 . 1036 . . 93 ARG CG . 19653 1
1136 . 1 1 93 93 ARG CD C 13 43.258 0.20 . 1 . 1035 . . 93 ARG CD . 19653 1
1137 . 1 1 93 93 ARG N N 15 122.000 0.20 . 1 . 1045 . . 93 ARG N . 19653 1
1138 . 1 1 94 94 THR H H 1 8.241 0.02 . 1 . 1050 . . 94 THR H . 19653 1
1139 . 1 1 94 94 THR HA H 1 4.354 0.02 . 1 . 1051 . . 94 THR HA . 19653 1
1140 . 1 1 94 94 THR HB H 1 4.209 0.02 . 1 . 1052 . . 94 THR HB . 19653 1
1141 . 1 1 94 94 THR HG21 H 1 1.193 0.02 . 1 . 1053 . . 94 THR HG21 . 19653 1
1142 . 1 1 94 94 THR HG22 H 1 1.193 0.02 . 1 . 1053 . . 94 THR HG22 . 19653 1
1143 . 1 1 94 94 THR HG23 H 1 1.193 0.02 . 1 . 1053 . . 94 THR HG23 . 19653 1
1144 . 1 1 94 94 THR C C 13 173.901 0.20 . 1 . 1046 . . 94 THR C . 19653 1
1145 . 1 1 94 94 THR CA C 13 61.584 0.20 . 1 . 1047 . . 94 THR CA . 19653 1
1146 . 1 1 94 94 THR CB C 13 69.830 0.20 . 1 . 1048 . . 94 THR CB . 19653 1
1147 . 1 1 94 94 THR CG2 C 13 21.556 0.20 . 1 . 1049 . . 94 THR CG2 . 19653 1
1148 . 1 1 94 94 THR N N 15 115.121 0.20 . 1 . 1054 . . 94 THR N . 19653 1
1149 . 1 1 95 95 ASN H H 1 8.533 0.02 . 1 . 1058 . . 95 ASN H . 19653 1
1150 . 1 1 95 95 ASN HA H 1 4.761 0.02 . 1 . 1059 . . 95 ASN HA . 19653 1
1151 . 1 1 95 95 ASN HB2 H 1 2.842 0.02 . 2 . 1061 . . 95 ASN HB2 . 19653 1
1152 . 1 1 95 95 ASN HB3 H 1 2.768 0.02 . 2 . 1060 . . 95 ASN HB3 . 19653 1
1153 . 1 1 95 95 ASN HD21 H 1 7.605 0.02 . 1 . 1062 . . 95 ASN HD21 . 19653 1
1154 . 1 1 95 95 ASN HD22 H 1 6.911 0.02 . 1 . 1063 . . 95 ASN HD22 . 19653 1
1155 . 1 1 95 95 ASN C C 13 174.635 0.20 . 1 . 1055 . . 95 ASN C . 19653 1
1156 . 1 1 95 95 ASN CA C 13 53.246 0.20 . 1 . 1056 . . 95 ASN CA . 19653 1
1157 . 1 1 95 95 ASN CB C 13 38.790 0.20 . 1 . 1057 . . 95 ASN CB . 19653 1
1158 . 1 1 95 95 ASN N N 15 121.232 0.20 . 1 . 1064 . . 95 ASN N . 19653 1
1159 . 1 1 95 95 ASN ND2 N 15 112.954 0.20 . 1 . 1065 . . 95 ASN ND2 . 19653 1
1160 . 1 1 96 96 VAL H H 1 8.086 0.02 . 1 . 1071 . . 96 VAL H . 19653 1
1161 . 1 1 96 96 VAL HA H 1 4.131 0.02 . 1 . 1072 . . 96 VAL HA . 19653 1
1162 . 1 1 96 96 VAL HB H 1 2.100 0.02 . 1 . 1073 . . 96 VAL HB . 19653 1
1163 . 1 1 96 96 VAL HG11 H 1 0.935 0.02 . 1 . 1074 . . 96 VAL HG11 . 19653 1
1164 . 1 1 96 96 VAL HG12 H 1 0.935 0.02 . 1 . 1074 . . 96 VAL HG12 . 19653 1
1165 . 1 1 96 96 VAL HG13 H 1 0.935 0.02 . 1 . 1074 . . 96 VAL HG13 . 19653 1
1166 . 1 1 96 96 VAL HG21 H 1 0.922 0.02 . 1 . 1075 . . 96 VAL HG21 . 19653 1
1167 . 1 1 96 96 VAL HG22 H 1 0.922 0.02 . 1 . 1075 . . 96 VAL HG22 . 19653 1
1168 . 1 1 96 96 VAL HG23 H 1 0.922 0.02 . 1 . 1075 . . 96 VAL HG23 . 19653 1
1169 . 1 1 96 96 VAL C C 13 175.082 0.20 . 1 . 1066 . . 96 VAL C . 19653 1
1170 . 1 1 96 96 VAL CA C 13 62.395 0.20 . 1 . 1067 . . 96 VAL CA . 19653 1
1171 . 1 1 96 96 VAL CB C 13 32.803 0.20 . 1 . 1068 . . 96 VAL CB . 19653 1
1172 . 1 1 96 96 VAL CG1 C 13 21.274 0.20 . 1 . 1069 . . 96 VAL CG1 . 19653 1
1173 . 1 1 96 96 VAL CG2 C 13 20.465 0.20 . 1 . 1070 . . 96 VAL CG2 . 19653 1
1174 . 1 1 96 96 VAL N N 15 120.394 0.20 . 1 . 1076 . . 96 VAL N . 19653 1
1175 . 1 1 97 97 GLN H H 1 8.011 0.02 . 1 . 1080 . . 97 GLN H . 19653 1
1176 . 1 1 97 97 GLN HA H 1 4.168 0.02 . 1 . 1081 . . 97 GLN HA . 19653 1
1177 . 1 1 97 97 GLN HB2 H 1 1.939 0.02 . 2 . 1083 . . 97 GLN HB2 . 19653 1
1178 . 1 1 97 97 GLN HB3 H 1 2.107 0.02 . 2 . 1082 . . 97 GLN HB3 . 19653 1
1179 . 1 1 97 97 GLN HG2 H 1 2.301 0.02 . 1 . 1087 . . 97 GLN HG2 . 19653 1
1180 . 1 1 97 97 GLN HG3 H 1 2.301 0.02 . 1 . 1086 . . 97 GLN HG3 . 19653 1
1181 . 1 1 97 97 GLN HE21 H 1 7.523 0.02 . 1 . 1084 . . 97 GLN HE21 . 19653 1
1182 . 1 1 97 97 GLN HE22 H 1 6.818 0.02 . 1 . 1085 . . 97 GLN HE22 . 19653 1
1183 . 1 1 97 97 GLN CA C 13 57.447 0.20 . 1 . 1077 . . 97 GLN CA . 19653 1
1184 . 1 1 97 97 GLN CB C 13 30.600 0.20 . 1 . 1078 . . 97 GLN CB . 19653 1
1185 . 1 1 97 97 GLN CG C 13 34.315 0.20 . 1 . 1079 . . 97 GLN CG . 19653 1
1186 . 1 1 97 97 GLN N N 15 128.909 0.20 . 1 . 1088 . . 97 GLN N . 19653 1
1187 . 1 1 97 97 GLN NE2 N 15 112.391 0.20 . 1 . 1089 . . 97 GLN NE2 . 19653 1
1188 . 2 2 1 1 DG H1' H 1 6.165 0.02 . 1 . 1090 . . 1 DG H1' . 19653 1
1189 . 2 2 1 1 DG H2' H 1 2.516 0.02 . 1 . 1091 . . 1 DG H2' . 19653 1
1190 . 2 2 1 1 DG H2'' H 1 2.391 0.02 . 1 . 1092 . . 1 DG H2'' . 19653 1
1191 . 2 2 1 1 DG H3' H 1 4.858 0.02 . 1 . 1093 . . 1 DG H3' . 19653 1
1192 . 2 2 1 1 DG H4' H 1 4.288 0.02 . 1 . 1094 . . 1 DG H4' . 19653 1
1193 . 2 2 1 1 DG H5' H 1 3.833 0.02 . 2 . 1095 . . 1 DG H5' . 19653 1
1194 . 2 2 1 1 DG H5'' H 1 3.801 0.02 . 2 . 1096 . . 1 DG H5'' . 19653 1
1195 . 2 2 1 1 DG H8 H 1 8.009 0.02 . 1 . 1097 . . 1 DG H8 . 19653 1
1196 . 2 2 2 2 DG H1' H 1 6.190 0.02 . 1 . 1098 . . 2 DG H1' . 19653 1
1197 . 2 2 2 2 DG H2' H 1 2.778 0.02 . 1 . 1099 . . 2 DG H2' . 19653 1
1198 . 2 2 2 2 DG H2'' H 1 2.505 0.02 . 1 . 1100 . . 2 DG H2'' . 19653 1
1199 . 2 2 2 2 DG H3' H 1 4.971 0.02 . 1 . 1101 . . 2 DG H3' . 19653 1
1200 . 2 2 2 2 DG H4' H 1 4.120 0.02 . 1 . 1102 . . 2 DG H4' . 19653 1
1201 . 2 2 2 2 DG H5' H 1 3.754 0.02 . 2 . 1103 . . 2 DG H5' . 19653 1
1202 . 2 2 2 2 DG H5'' H 1 4.032 0.02 . 2 . 1104 . . 2 DG H5'' . 19653 1
1203 . 2 2 2 2 DG H8 H 1 8.076 0.02 . 1 . 1105 . . 2 DG H8 . 19653 1
1204 . 2 2 3 3 DT H1' H 1 6.075 0.02 . 1 . 1106 . . 3 DT H1' . 19653 1
1205 . 2 2 3 3 DT H2' H 1 2.017 0.02 . 1 . 1107 . . 3 DT H2' . 19653 1
1206 . 2 2 3 3 DT H2'' H 1 2.713 0.02 . 1 . 1108 . . 3 DT H2'' . 19653 1
1207 . 2 2 3 3 DT H3' H 1 4.787 0.02 . 1 . 1109 . . 3 DT H3' . 19653 1
1208 . 2 2 3 3 DT H4' H 1 4.215 0.02 . 1 . 1110 . . 3 DT H4' . 19653 1
1209 . 2 2 3 3 DT H5' H 1 3.919 0.02 . 1 . 1111 . . 3 DT H5' . 19653 1
1210 . 2 2 3 3 DT H5'' H 1 3.919 0.02 . 1 . 1112 . . 3 DT H5'' . 19653 1
1211 . 2 2 3 3 DT H6 H 1 7.329 0.02 . 1 . 1113 . . 3 DT H6 . 19653 1
1212 . 2 2 3 3 DT H71 H 1 1.900 0.02 . 1 . 1114 . . 3 DT H71 . 19653 1
1213 . 2 2 3 3 DT H72 H 1 1.900 0.02 . 1 . 1114 . . 3 DT H72 . 19653 1
1214 . 2 2 3 3 DT H73 H 1 1.900 0.02 . 1 . 1114 . . 3 DT H73 . 19653 1
1215 . 2 2 4 4 DG H1' H 1 6.272 0.02 . 1 . 1115 . . 4 DG H1' . 19653 1
1216 . 2 2 4 4 DG H2' H 1 2.031 0.02 . 1 . 1116 . . 4 DG H2' . 19653 1
1217 . 2 2 4 4 DG H2'' H 1 2.268 0.02 . 1 . 1117 . . 4 DG H2'' . 19653 1
1218 . 2 2 4 4 DG H3' H 1 5.364 0.02 . 1 . 1118 . . 4 DG H3' . 19653 1
1219 . 2 2 4 4 DG H4' H 1 4.161 0.02 . 1 . 1119 . . 4 DG H4' . 19653 1
1220 . 2 2 4 4 DG H8 H 1 7.840 0.02 . 1 . 1120 . . 4 DG H8 . 19653 1
1221 . 2 2 5 5 DT H1' H 1 6.571 0.02 . 1 . 1121 . . 5 DT H1' . 19653 1
1222 . 2 2 5 5 DT H2' H 1 2.120 0.02 . 1 . 1122 . . 5 DT H2' . 19653 1
1223 . 2 2 5 5 DT H2'' H 1 2.442 0.02 . 1 . 1123 . . 5 DT H2'' . 19653 1
1224 . 2 2 5 5 DT H3 H 1 11.179 0.02 . 1 . 1124 . . 5 DT H3 . 19653 1
1225 . 2 2 5 5 DT H3' H 1 5.123 0.02 . 1 . 1125 . . 5 DT H3' . 19653 1
1226 . 2 2 5 5 DT H4' H 1 4.581 0.02 . 1 . 1126 . . 5 DT H4' . 19653 1
1227 . 2 2 5 5 DT H5' H 1 4.100 0.02 . 2 . 1127 . . 5 DT H5' . 19653 1
1228 . 2 2 5 5 DT H5'' H 1 3.015 0.02 . 2 . 1128 . . 5 DT H5'' . 19653 1
1229 . 2 2 5 5 DT H6 H 1 7.127 0.02 . 1 . 1129 . . 5 DT H6 . 19653 1
1230 . 2 2 5 5 DT H71 H 1 1.150 0.02 . 1 . 1130 . . 5 DT H71 . 19653 1
1231 . 2 2 5 5 DT H72 H 1 1.150 0.02 . 1 . 1130 . . 5 DT H72 . 19653 1
1232 . 2 2 5 5 DT H73 H 1 1.150 0.02 . 1 . 1130 . . 5 DT H73 . 19653 1
1233 . 2 2 6 6 DG H1 H 1 11.178 0.02 . 1 . 1131 . . 6 DG H1 . 19653 1
1234 . 2 2 6 6 DG H1' H 1 6.369 0.02 . 1 . 1132 . . 6 DG H1' . 19653 1
1235 . 2 2 6 6 DG H2' H 1 2.579 0.02 . 1 . 1133 . . 6 DG H2' . 19653 1
1236 . 2 2 6 6 DG H2'' H 1 2.657 0.02 . 1 . 1134 . . 6 DG H2'' . 19653 1
1237 . 2 2 6 6 DG H3' H 1 5.028 0.02 . 1 . 1135 . . 6 DG H3' . 19653 1
1238 . 2 2 6 6 DG H4' H 1 4.557 0.02 . 1 . 1136 . . 6 DG H4' . 19653 1
1239 . 2 2 6 6 DG H5' H 1 4.423 0.02 . 2 . 1137 . . 6 DG H5' . 19653 1
1240 . 2 2 6 6 DG H5'' H 1 4.235 0.02 . 2 . 1138 . . 6 DG H5'' . 19653 1
1241 . 2 2 6 6 DG H8 H 1 7.799 0.02 . 1 . 1139 . . 6 DG H8 . 19653 1
1242 . 2 2 7 7 DC H1' H 1 6.360 0.02 . 1 . 1140 . . 7 DC H1' . 19653 1
1243 . 2 2 7 7 DC H2' H 1 2.320 0.02 . 1 . 1141 . . 7 DC H2' . 19653 1
1244 . 2 2 7 7 DC H2'' H 1 2.432 0.02 . 1 . 1142 . . 7 DC H2'' . 19653 1
1245 . 2 2 7 7 DC H3' H 1 4.608 0.02 . 1 . 1143 . . 7 DC H3' . 19653 1
1246 . 2 2 7 7 DC H4' H 1 4.230 0.02 . 1 . 1144 . . 7 DC H4' . 19653 1
1247 . 2 2 7 7 DC H5 H 1 6.048 0.02 . 1 . 1145 . . 7 DC H5 . 19653 1
1248 . 2 2 7 7 DC H5' H 1 4.150 0.02 . 1 . 1146 . . 7 DC H5' . 19653 1
1249 . 2 2 7 7 DC H5'' H 1 4.150 0.02 . 1 . 1147 . . 7 DC H5'' . 19653 1
1250 . 2 2 7 7 DC H6 H 1 7.906 0.02 . 1 . 1148 . . 7 DC H6 . 19653 1
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