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 18711
_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_new_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 xeasy file /ms/data1/tkern/projects/CH3CS/Cyana/runPDB/hCH.prot'
_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 HSQC' . . . 18711 1
2 '13C HSQC' . . . 18711 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 3 3 ASP H H 1 8.309 0.020 . 1 . 2 . . 3 ASP H . 18711 1
2 . 1 1 3 3 ASP HA H 1 4.732 0.020 . 1 . 4 . . 3 ASP HA . 18711 1
3 . 1 1 3 3 ASP HB2 H 1 2.664 0.020 . 2 . 6 . . 3 ASP HB2 . 18711 1
4 . 1 1 3 3 ASP HB3 H 1 2.436 0.020 . 2 . 7 . . 3 ASP HB3 . 18711 1
5 . 1 1 3 3 ASP CA C 13 54.527 0.200 . 1 . 3 . . 3 ASP CA . 18711 1
6 . 1 1 3 3 ASP CB C 13 41.885 0.023 . 1 . 5 . . 3 ASP CB . 18711 1
7 . 1 1 3 3 ASP N N 15 120.200 0.200 . 1 . 1 . . 3 ASP N . 18711 1
8 . 1 1 4 4 ILE H H 1 8.172 0.018 . 1 . 9 . . 4 ILE H . 18711 1
9 . 1 1 4 4 ILE HA H 1 3.971 0.049 . 1 . 11 . . 4 ILE HA . 18711 1
10 . 1 1 4 4 ILE HB H 1 1.453 0.011 . 1 . 13 . . 4 ILE HB . 18711 1
11 . 1 1 4 4 ILE HG12 H 1 1.667 0.015 . 2 . 17 . . 4 ILE HG12 . 18711 1
12 . 1 1 4 4 ILE HG13 H 1 0.678 0.020 . 2 . 18 . . 4 ILE HG13 . 18711 1
13 . 1 1 4 4 ILE HG21 H 1 0.657 0.006 . 1 . 14 . . 4 ILE HG21 . 18711 1
14 . 1 1 4 4 ILE HG22 H 1 0.657 0.006 . 1 . 14 . . 4 ILE HG22 . 18711 1
15 . 1 1 4 4 ILE HG23 H 1 0.657 0.006 . 1 . 14 . . 4 ILE HG23 . 18711 1
16 . 1 1 4 4 ILE HD11 H 1 0.467 0.008 . 1 . 19 . . 4 ILE HD11 . 18711 1
17 . 1 1 4 4 ILE HD12 H 1 0.467 0.008 . 1 . 19 . . 4 ILE HD12 . 18711 1
18 . 1 1 4 4 ILE HD13 H 1 0.467 0.008 . 1 . 19 . . 4 ILE HD13 . 18711 1
19 . 1 1 4 4 ILE CA C 13 63.472 0.197 . 1 . 10 . . 4 ILE CA . 18711 1
20 . 1 1 4 4 ILE CB C 13 38.968 0.180 . 1 . 12 . . 4 ILE CB . 18711 1
21 . 1 1 4 4 ILE CG1 C 13 29.239 0.108 . 1 . 16 . . 4 ILE CG1 . 18711 1
22 . 1 1 4 4 ILE CG2 C 13 17.399 0.200 . 1 . 15 . . 4 ILE CG2 . 18711 1
23 . 1 1 4 4 ILE CD1 C 13 14.195 0.147 . 1 . 20 . . 4 ILE CD1 . 18711 1
24 . 1 1 4 4 ILE N N 15 123.261 0.021 . 1 . 8 . . 4 ILE N . 18711 1
25 . 1 1 5 5 LEU H H 1 7.773 0.041 . 1 . 22 . . 5 LEU H . 18711 1
26 . 1 1 5 5 LEU HA H 1 4.701 0.008 . 1 . 24 . . 5 LEU HA . 18711 1
27 . 1 1 5 5 LEU HB2 H 1 1.604 0.020 . 2 . 26 . . 5 LEU HB2 . 18711 1
28 . 1 1 5 5 LEU HB3 H 1 1.279 0.020 . 2 . 27 . . 5 LEU HB3 . 18711 1
29 . 1 1 5 5 LEU HG H 1 1.594 0.020 . 1 . 29 . . 5 LEU HG . 18711 1
30 . 1 1 5 5 LEU HD11 H 1 0.928 0.020 . 2 . 30 . . 5 LEU HD11 . 18711 1
31 . 1 1 5 5 LEU HD12 H 1 0.928 0.020 . 2 . 30 . . 5 LEU HD12 . 18711 1
32 . 1 1 5 5 LEU HD13 H 1 0.928 0.020 . 2 . 30 . . 5 LEU HD13 . 18711 1
33 . 1 1 5 5 LEU HD21 H 1 0.818 0.020 . 2 . 31 . . 5 LEU HD21 . 18711 1
34 . 1 1 5 5 LEU HD22 H 1 0.818 0.020 . 2 . 31 . . 5 LEU HD22 . 18711 1
35 . 1 1 5 5 LEU HD23 H 1 0.818 0.020 . 2 . 31 . . 5 LEU HD23 . 18711 1
36 . 1 1 5 5 LEU CA C 13 53.915 0.200 . 1 . 23 . . 5 LEU CA . 18711 1
37 . 1 1 5 5 LEU CB C 13 45.474 0.072 . 1 . 25 . . 5 LEU CB . 18711 1
38 . 1 1 5 5 LEU CG C 13 26.752 0.368 . 1 . 28 . . 5 LEU CG . 18711 1
39 . 1 1 5 5 LEU CD1 C 13 25.541 0.108 . 2 . 32 . . 5 LEU CD1 . 18711 1
40 . 1 1 5 5 LEU CD2 C 13 23.835 0.055 . 2 . 33 . . 5 LEU CD2 . 18711 1
41 . 1 1 5 5 LEU N N 15 129.330 0.031 . 1 . 21 . . 5 LEU N . 18711 1
42 . 1 1 6 6 THR H H 1 7.782 0.017 . 1 . 35 . . 6 THR H . 18711 1
43 . 1 1 6 6 THR HA H 1 5.389 0.002 . 1 . 37 . . 6 THR HA . 18711 1
44 . 1 1 6 6 THR HB H 1 3.579 0.021 . 1 . 39 . . 6 THR HB . 18711 1
45 . 1 1 6 6 THR HG21 H 1 0.908 0.008 . 1 . 40 . . 6 THR HG21 . 18711 1
46 . 1 1 6 6 THR HG22 H 1 0.908 0.008 . 1 . 40 . . 6 THR HG22 . 18711 1
47 . 1 1 6 6 THR HG23 H 1 0.908 0.008 . 1 . 40 . . 6 THR HG23 . 18711 1
48 . 1 1 6 6 THR CA C 13 61.119 0.072 . 1 . 36 . . 6 THR CA . 18711 1
49 . 1 1 6 6 THR CB C 13 71.424 0.103 . 1 . 38 . . 6 THR CB . 18711 1
50 . 1 1 6 6 THR CG2 C 13 23.182 0.020 . 1 . 41 . . 6 THR CG2 . 18711 1
51 . 1 1 6 6 THR N N 15 116.088 0.117 . 1 . 34 . . 6 THR N . 18711 1
52 . 1 1 7 7 PHE H H 1 9.393 0.012 . 1 . 43 . . 7 PHE H . 18711 1
53 . 1 1 7 7 PHE HA H 1 5.008 0.003 . 1 . 45 . . 7 PHE HA . 18711 1
54 . 1 1 7 7 PHE HB2 H 1 3.264 0.015 . 2 . 47 . . 7 PHE HB2 . 18711 1
55 . 1 1 7 7 PHE HB3 H 1 2.849 0.021 . 2 . 48 . . 7 PHE HB3 . 18711 1
56 . 1 1 7 7 PHE CA C 13 56.452 0.160 . 1 . 44 . . 7 PHE CA . 18711 1
57 . 1 1 7 7 PHE CB C 13 43.021 0.234 . 1 . 46 . . 7 PHE CB . 18711 1
58 . 1 1 7 7 PHE N N 15 122.217 0.039 . 1 . 42 . . 7 PHE N . 18711 1
59 . 1 1 8 8 THR H H 1 8.787 0.020 . 1 . 50 . . 8 THR H . 18711 1
60 . 1 1 8 8 THR HA H 1 5.355 0.002 . 1 . 52 . . 8 THR HA . 18711 1
61 . 1 1 8 8 THR HB H 1 4.324 0.001 . 1 . 54 . . 8 THR HB . 18711 1
62 . 1 1 8 8 THR HG21 H 1 1.102 0.028 . 1 . 55 . . 8 THR HG21 . 18711 1
63 . 1 1 8 8 THR HG22 H 1 1.102 0.028 . 1 . 55 . . 8 THR HG22 . 18711 1
64 . 1 1 8 8 THR HG23 H 1 1.102 0.028 . 1 . 55 . . 8 THR HG23 . 18711 1
65 . 1 1 8 8 THR CA C 13 59.408 0.093 . 1 . 51 . . 8 THR CA . 18711 1
66 . 1 1 8 8 THR CB C 13 71.169 0.140 . 1 . 53 . . 8 THR CB . 18711 1
67 . 1 1 8 8 THR CG2 C 13 24.468 0.071 . 1 . 56 . . 8 THR CG2 . 18711 1
68 . 1 1 8 8 THR N N 15 111.047 0.025 . 1 . 49 . . 8 THR N . 18711 1
69 . 1 1 9 9 ILE H H 1 8.912 0.025 . 1 . 58 . . 9 ILE H . 18711 1
70 . 1 1 9 9 ILE HB H 1 1.719 0.016 . 1 . 61 . . 9 ILE HB . 18711 1
71 . 1 1 9 9 ILE HG12 H 1 1.431 0.005 . 2 . 65 . . 9 ILE HG12 . 18711 1
72 . 1 1 9 9 ILE HG13 H 1 1.166 0.020 . 2 . 66 . . 9 ILE HG13 . 18711 1
73 . 1 1 9 9 ILE HG21 H 1 1.082 0.013 . 1 . 62 . . 9 ILE HG21 . 18711 1
74 . 1 1 9 9 ILE HG22 H 1 1.082 0.013 . 1 . 62 . . 9 ILE HG22 . 18711 1
75 . 1 1 9 9 ILE HG23 H 1 1.082 0.013 . 1 . 62 . . 9 ILE HG23 . 18711 1
76 . 1 1 9 9 ILE HD11 H 1 0.842 0.006 . 1 . 67 . . 9 ILE HD11 . 18711 1
77 . 1 1 9 9 ILE HD12 H 1 0.842 0.006 . 1 . 67 . . 9 ILE HD12 . 18711 1
78 . 1 1 9 9 ILE HD13 H 1 0.842 0.006 . 1 . 67 . . 9 ILE HD13 . 18711 1
79 . 1 1 9 9 ILE CA C 13 58.109 0.200 . 1 . 59 . . 9 ILE CA . 18711 1
80 . 1 1 9 9 ILE CB C 13 41.897 0.045 . 1 . 60 . . 9 ILE CB . 18711 1
81 . 1 1 9 9 ILE CG1 C 13 27.804 0.161 . 1 . 64 . . 9 ILE CG1 . 18711 1
82 . 1 1 9 9 ILE CG2 C 13 17.273 0.012 . 1 . 63 . . 9 ILE CG2 . 18711 1
83 . 1 1 9 9 ILE CD1 C 13 14.164 0.022 . 1 . 68 . . 9 ILE CD1 . 18711 1
84 . 1 1 9 9 ILE N N 15 123.802 0.060 . 1 . 57 . . 9 ILE N . 18711 1
85 . 1 1 10 10 PRO HB2 H 1 2.629 0.020 . 2 . 72 . . 10 PRO HB2 . 18711 1
86 . 1 1 10 10 PRO HB3 H 1 2.194 0.020 . 2 . 73 . . 10 PRO HB3 . 18711 1
87 . 1 1 10 10 PRO HG2 H 1 2.295 0.020 . 2 . 75 . . 10 PRO HG2 . 18711 1
88 . 1 1 10 10 PRO HG3 H 1 2.083 0.001 . 2 . 76 . . 10 PRO HG3 . 18711 1
89 . 1 1 10 10 PRO HD2 H 1 3.974 0.020 . 1 . 77 . . 10 PRO HD2 . 18711 1
90 . 1 1 10 10 PRO HD3 H 1 3.974 0.020 . 1 . 889 . . 10 PRO HD3 . 18711 1
91 . 1 1 10 10 PRO CA C 13 61.570 0.200 . 1 . 70 . . 10 PRO CA . 18711 1
92 . 1 1 10 10 PRO CB C 13 32.001 0.200 . 1 . 71 . . 10 PRO CB . 18711 1
93 . 1 1 10 10 PRO CG C 13 26.553 0.200 . 1 . 74 . . 10 PRO CG . 18711 1
94 . 1 1 10 10 PRO CD C 13 51.960 0.200 . 1 . 69 . . 10 PRO CD . 18711 1
95 . 1 1 11 11 PRO HA H 1 4.413 0.014 . 1 . 80 . . 11 PRO HA . 18711 1
96 . 1 1 11 11 PRO HB2 H 1 1.986 0.005 . 2 . 82 . . 11 PRO HB2 . 18711 1
97 . 1 1 11 11 PRO HB3 H 1 1.401 0.026 . 2 . 83 . . 11 PRO HB3 . 18711 1
98 . 1 1 11 11 PRO HG2 H 1 0.647 0.028 . 2 . 85 . . 11 PRO HG2 . 18711 1
99 . 1 1 11 11 PRO HG3 H 1 0.493 0.010 . 2 . 86 . . 11 PRO HG3 . 18711 1
100 . 1 1 11 11 PRO HD2 H 1 2.643 0.027 . 2 . 87 . . 11 PRO HD2 . 18711 1
101 . 1 1 11 11 PRO HD3 H 1 2.563 0.020 . 2 . 88 . . 11 PRO HD3 . 18711 1
102 . 1 1 11 11 PRO CA C 13 62.065 0.191 . 1 . 79 . . 11 PRO CA . 18711 1
103 . 1 1 11 11 PRO CB C 13 32.159 0.148 . 1 . 81 . . 11 PRO CB . 18711 1
104 . 1 1 11 11 PRO CG C 13 26.379 0.069 . 1 . 84 . . 11 PRO CG . 18711 1
105 . 1 1 11 11 PRO CD C 13 49.824 0.042 . 1 . 78 . . 11 PRO CD . 18711 1
106 . 1 1 12 12 SER H H 1 8.741 0.010 . 1 . 90 . . 12 SER H . 18711 1
107 . 1 1 12 12 SER HA H 1 4.501 0.002 . 1 . 92 . . 12 SER HA . 18711 1
108 . 1 1 12 12 SER HB2 H 1 4.162 0.020 . 2 . 94 . . 12 SER HB2 . 18711 1
109 . 1 1 12 12 SER HB3 H 1 3.938 0.007 . 2 . 95 . . 12 SER HB3 . 18711 1
110 . 1 1 12 12 SER CA C 13 57.150 0.059 . 1 . 91 . . 12 SER CA . 18711 1
111 . 1 1 12 12 SER CB C 13 65.294 0.093 . 1 . 93 . . 12 SER CB . 18711 1
112 . 1 1 12 12 SER N N 15 117.650 0.060 . 1 . 89 . . 12 SER N . 18711 1
113 . 1 1 13 13 PHE H H 1 8.761 0.009 . 1 . 97 . . 13 PHE H . 18711 1
114 . 1 1 13 13 PHE HA H 1 4.310 0.002 . 1 . 99 . . 13 PHE HA . 18711 1
115 . 1 1 13 13 PHE HB2 H 1 3.190 0.002 . 2 . 101 . . 13 PHE HB2 . 18711 1
116 . 1 1 13 13 PHE HB3 H 1 3.120 0.020 . 2 . 102 . . 13 PHE HB3 . 18711 1
117 . 1 1 13 13 PHE CA C 13 61.183 0.046 . 1 . 98 . . 13 PHE CA . 18711 1
118 . 1 1 13 13 PHE CB C 13 39.093 0.008 . 1 . 100 . . 13 PHE CB . 18711 1
119 . 1 1 13 13 PHE N N 15 122.596 0.076 . 1 . 96 . . 13 PHE N . 18711 1
120 . 1 1 14 14 ALA H H 1 8.336 0.005 . 1 . 104 . . 14 ALA H . 18711 1
121 . 1 1 14 14 ALA HA H 1 4.078 0.020 . 1 . 106 . . 14 ALA HA . 18711 1
122 . 1 1 14 14 ALA HB1 H 1 1.402 0.020 . 1 . 107 . . 14 ALA HB1 . 18711 1
123 . 1 1 14 14 ALA HB2 H 1 1.402 0.020 . 1 . 107 . . 14 ALA HB2 . 18711 1
124 . 1 1 14 14 ALA HB3 H 1 1.402 0.020 . 1 . 107 . . 14 ALA HB3 . 18711 1
125 . 1 1 14 14 ALA CA C 13 54.903 0.153 . 1 . 105 . . 14 ALA CA . 18711 1
126 . 1 1 14 14 ALA CB C 13 18.750 0.022 . 1 . 108 . . 14 ALA CB . 18711 1
127 . 1 1 14 14 ALA N N 15 120.884 0.049 . 1 . 103 . . 14 ALA N . 18711 1
128 . 1 1 15 15 ASP H H 1 7.734 0.005 . 1 . 110 . . 15 ASP H . 18711 1
129 . 1 1 15 15 ASP HA H 1 4.410 0.020 . 1 . 112 . . 15 ASP HA . 18711 1
130 . 1 1 15 15 ASP HB2 H 1 2.800 0.020 . 1 . 114 . . 15 ASP HB2 . 18711 1
131 . 1 1 15 15 ASP HB3 H 1 2.800 0.020 . 1 . 890 . . 15 ASP HB3 . 18711 1
132 . 1 1 15 15 ASP CA C 13 56.861 0.038 . 1 . 111 . . 15 ASP CA . 18711 1
133 . 1 1 15 15 ASP CB C 13 41.424 0.015 . 1 . 113 . . 15 ASP CB . 18711 1
134 . 1 1 15 15 ASP N N 15 117.921 0.027 . 1 . 109 . . 15 ASP N . 18711 1
135 . 1 1 16 16 ILE H H 1 7.669 0.018 . 1 . 116 . . 16 ILE H . 18711 1
136 . 1 1 16 16 ILE HA H 1 3.856 0.022 . 1 . 118 . . 16 ILE HA . 18711 1
137 . 1 1 16 16 ILE HB H 1 1.792 0.006 . 1 . 120 . . 16 ILE HB . 18711 1
138 . 1 1 16 16 ILE HG12 H 1 1.416 0.006 . 2 . 124 . . 16 ILE HG12 . 18711 1
139 . 1 1 16 16 ILE HG13 H 1 0.972 0.031 . 2 . 125 . . 16 ILE HG13 . 18711 1
140 . 1 1 16 16 ILE HG21 H 1 0.647 0.001 . 1 . 121 . . 16 ILE HG21 . 18711 1
141 . 1 1 16 16 ILE HG22 H 1 0.647 0.001 . 1 . 121 . . 16 ILE HG22 . 18711 1
142 . 1 1 16 16 ILE HG23 H 1 0.647 0.001 . 1 . 121 . . 16 ILE HG23 . 18711 1
143 . 1 1 16 16 ILE HD11 H 1 0.667 0.001 . 1 . 126 . . 16 ILE HD11 . 18711 1
144 . 1 1 16 16 ILE HD12 H 1 0.667 0.001 . 1 . 126 . . 16 ILE HD12 . 18711 1
145 . 1 1 16 16 ILE HD13 H 1 0.667 0.001 . 1 . 126 . . 16 ILE HD13 . 18711 1
146 . 1 1 16 16 ILE CA C 13 63.491 0.092 . 1 . 117 . . 16 ILE CA . 18711 1
147 . 1 1 16 16 ILE CB C 13 38.461 0.042 . 1 . 119 . . 16 ILE CB . 18711 1
148 . 1 1 16 16 ILE CG1 C 13 28.166 0.085 . 1 . 123 . . 16 ILE CG1 . 18711 1
149 . 1 1 16 16 ILE CG2 C 13 17.810 0.032 . 1 . 122 . . 16 ILE CG2 . 18711 1
150 . 1 1 16 16 ILE CD1 C 13 13.553 0.102 . 1 . 127 . . 16 ILE CD1 . 18711 1
151 . 1 1 16 16 ILE N N 15 118.424 0.024 . 1 . 115 . . 16 ILE N . 18711 1
152 . 1 1 17 17 PHE H H 1 8.112 0.046 . 1 . 129 . . 17 PHE H . 18711 1
153 . 1 1 17 17 PHE HA H 1 4.273 0.002 . 1 . 131 . . 17 PHE HA . 18711 1
154 . 1 1 17 17 PHE HB2 H 1 2.918 0.004 . 2 . 133 . . 17 PHE HB2 . 18711 1
155 . 1 1 17 17 PHE HB3 H 1 2.772 0.001 . 2 . 134 . . 17 PHE HB3 . 18711 1
156 . 1 1 17 17 PHE CA C 13 60.301 0.112 . 1 . 130 . . 17 PHE CA . 18711 1
157 . 1 1 17 17 PHE CB C 13 39.467 0.038 . 1 . 132 . . 17 PHE CB . 18711 1
158 . 1 1 17 17 PHE N N 15 119.858 0.012 . 1 . 128 . . 17 PHE N . 18711 1
159 . 1 1 18 18 LEU H H 1 8.029 0.039 . 1 . 136 . . 18 LEU H . 18711 1
160 . 1 1 18 18 LEU HA H 1 4.236 0.005 . 1 . 138 . . 18 LEU HA . 18711 1
161 . 1 1 18 18 LEU HB2 H 1 1.806 0.009 . 2 . 140 . . 18 LEU HB2 . 18711 1
162 . 1 1 18 18 LEU HB3 H 1 1.594 0.003 . 2 . 141 . . 18 LEU HB3 . 18711 1
163 . 1 1 18 18 LEU HG H 1 1.533 0.020 . 1 . 143 . . 18 LEU HG . 18711 1
164 . 1 1 18 18 LEU HD11 H 1 0.891 0.011 . 2 . 144 . . 18 LEU HD11 . 18711 1
165 . 1 1 18 18 LEU HD12 H 1 0.891 0.011 . 2 . 144 . . 18 LEU HD12 . 18711 1
166 . 1 1 18 18 LEU HD13 H 1 0.891 0.011 . 2 . 144 . . 18 LEU HD13 . 18711 1
167 . 1 1 18 18 LEU HD21 H 1 0.842 0.010 . 2 . 145 . . 18 LEU HD21 . 18711 1
168 . 1 1 18 18 LEU HD22 H 1 0.842 0.010 . 2 . 145 . . 18 LEU HD22 . 18711 1
169 . 1 1 18 18 LEU HD23 H 1 0.842 0.010 . 2 . 145 . . 18 LEU HD23 . 18711 1
170 . 1 1 18 18 LEU CA C 13 56.435 0.113 . 1 . 137 . . 18 LEU CA . 18711 1
171 . 1 1 18 18 LEU CB C 13 42.621 0.050 . 1 . 139 . . 18 LEU CB . 18711 1
172 . 1 1 18 18 LEU CG C 13 27.163 0.237 . 1 . 142 . . 18 LEU CG . 18711 1
173 . 1 1 18 18 LEU CD1 C 13 25.262 0.193 . 2 . 146 . . 18 LEU CD1 . 18711 1
174 . 1 1 18 18 LEU CD2 C 13 23.566 0.089 . 2 . 147 . . 18 LEU CD2 . 18711 1
175 . 1 1 18 18 LEU N N 15 118.630 0.027 . 1 . 135 . . 18 LEU N . 18711 1
176 . 1 1 19 19 SER H H 1 7.949 0.024 . 1 . 149 . . 19 SER H . 18711 1
177 . 1 1 19 19 SER HA H 1 4.423 0.020 . 1 . 151 . . 19 SER HA . 18711 1
178 . 1 1 19 19 SER HB2 H 1 3.931 0.020 . 1 . 891 . . 19 SER HB2 . 18711 1
179 . 1 1 19 19 SER HB3 H 1 3.931 0.020 . 1 . 153 . . 19 SER HB3 . 18711 1
180 . 1 1 19 19 SER CA C 13 58.870 0.105 . 1 . 150 . . 19 SER CA . 18711 1
181 . 1 1 19 19 SER CB C 13 64.586 0.039 . 1 . 152 . . 19 SER CB . 18711 1
182 . 1 1 19 19 SER N N 15 113.426 0.098 . 1 . 148 . . 19 SER N . 18711 1
183 . 1 1 20 20 LYS H H 1 8.163 0.001 . 1 . 155 . . 20 LYS H . 18711 1
184 . 1 1 20 20 LYS HA H 1 4.153 0.033 . 1 . 157 . . 20 LYS HA . 18711 1
185 . 1 1 20 20 LYS HB2 H 1 1.919 0.022 . 1 . 892 . . 20 LYS HB2 . 18711 1
186 . 1 1 20 20 LYS HB3 H 1 1.919 0.022 . 1 . 159 . . 20 LYS HB3 . 18711 1
187 . 1 1 20 20 LYS HG2 H 1 1.366 0.020 . 1 . 895 . . 20 LYS HG2 . 18711 1
188 . 1 1 20 20 LYS HG3 H 1 1.366 0.020 . 1 . 161 . . 20 LYS HG3 . 18711 1
189 . 1 1 20 20 LYS HD2 H 1 1.639 0.016 . 1 . 893 . . 20 LYS HD2 . 18711 1
190 . 1 1 20 20 LYS HD3 H 1 1.639 0.016 . 1 . 163 . . 20 LYS HD3 . 18711 1
191 . 1 1 20 20 LYS HE2 H 1 2.945 0.001 . 1 . 894 . . 20 LYS HE2 . 18711 1
192 . 1 1 20 20 LYS HE3 H 1 2.945 0.001 . 1 . 165 . . 20 LYS HE3 . 18711 1
193 . 1 1 20 20 LYS CA C 13 57.291 0.129 . 1 . 156 . . 20 LYS CA . 18711 1
194 . 1 1 20 20 LYS CB C 13 31.248 0.239 . 1 . 158 . . 20 LYS CB . 18711 1
195 . 1 1 20 20 LYS CG C 13 25.234 0.147 . 1 . 160 . . 20 LYS CG . 18711 1
196 . 1 1 20 20 LYS CD C 13 29.244 0.092 . 1 . 162 . . 20 LYS CD . 18711 1
197 . 1 1 20 20 LYS CE C 13 42.709 0.001 . 1 . 164 . . 20 LYS CE . 18711 1
198 . 1 1 20 20 LYS N N 15 118.625 0.107 . 1 . 154 . . 20 LYS N . 18711 1
199 . 1 1 21 21 SER H H 1 7.934 0.005 . 1 . 167 . . 21 SER H . 18711 1
200 . 1 1 21 21 SER HA H 1 4.748 0.006 . 1 . 169 . . 21 SER HA . 18711 1
201 . 1 1 21 21 SER HB2 H 1 3.552 0.020 . 2 . 171 . . 21 SER HB2 . 18711 1
202 . 1 1 21 21 SER HB3 H 1 3.475 0.020 . 2 . 172 . . 21 SER HB3 . 18711 1
203 . 1 1 21 21 SER CA C 13 57.598 0.200 . 1 . 168 . . 21 SER CA . 18711 1
204 . 1 1 21 21 SER CB C 13 65.632 0.093 . 1 . 170 . . 21 SER CB . 18711 1
205 . 1 1 21 21 SER N N 15 114.070 0.082 . 1 . 166 . . 21 SER N . 18711 1
206 . 1 1 22 22 ALA H H 1 8.769 0.002 . 1 . 174 . . 22 ALA H . 18711 1
207 . 1 1 22 22 ALA HA H 1 4.182 0.020 . 1 . 176 . . 22 ALA HA . 18711 1
208 . 1 1 22 22 ALA HB1 H 1 0.615 0.020 . 1 . 177 . . 22 ALA HB1 . 18711 1
209 . 1 1 22 22 ALA HB2 H 1 0.615 0.020 . 1 . 177 . . 22 ALA HB2 . 18711 1
210 . 1 1 22 22 ALA HB3 H 1 0.615 0.020 . 1 . 177 . . 22 ALA HB3 . 18711 1
211 . 1 1 22 22 ALA CA C 13 50.511 0.051 . 1 . 175 . . 22 ALA CA . 18711 1
212 . 1 1 22 22 ALA CB C 13 20.428 0.035 . 1 . 178 . . 22 ALA CB . 18711 1
213 . 1 1 22 22 ALA N N 15 124.935 0.031 . 1 . 173 . . 22 ALA N . 18711 1
214 . 1 1 23 23 ASN H H 1 8.108 0.019 . 1 . 180 . . 23 ASN H . 18711 1
215 . 1 1 23 23 ASN HA H 1 4.996 0.006 . 1 . 182 . . 23 ASN HA . 18711 1
216 . 1 1 23 23 ASN HB2 H 1 2.489 0.017 . 2 . 184 . . 23 ASN HB2 . 18711 1
217 . 1 1 23 23 ASN HB3 H 1 2.053 0.020 . 2 . 185 . . 23 ASN HB3 . 18711 1
218 . 1 1 23 23 ASN HD21 H 1 7.363 0.010 . 1 . 187 . . 23 ASN HD21 . 18711 1
219 . 1 1 23 23 ASN HD22 H 1 6.682 0.003 . 1 . 188 . . 23 ASN HD22 . 18711 1
220 . 1 1 23 23 ASN CA C 13 52.488 0.148 . 1 . 181 . . 23 ASN CA . 18711 1
221 . 1 1 23 23 ASN CB C 13 39.141 0.071 . 1 . 183 . . 23 ASN CB . 18711 1
222 . 1 1 23 23 ASN N N 15 119.759 0.056 . 1 . 179 . . 23 ASN N . 18711 1
223 . 1 1 23 23 ASN ND2 N 15 113.206 0.088 . 1 . 186 . . 23 ASN ND2 . 18711 1
224 . 1 1 24 24 LEU H H 1 8.893 0.020 . 1 . 190 . . 24 LEU H . 18711 1
225 . 1 1 24 24 LEU HA H 1 3.888 0.028 . 1 . 192 . . 24 LEU HA . 18711 1
226 . 1 1 24 24 LEU HB2 H 1 0.162 0.011 . 2 . 194 . . 24 LEU HB2 . 18711 1
227 . 1 1 24 24 LEU HB3 H 1 -0.066 0.020 . 2 . 195 . . 24 LEU HB3 . 18711 1
228 . 1 1 24 24 LEU HG H 1 0.683 0.032 . 1 . 197 . . 24 LEU HG . 18711 1
229 . 1 1 24 24 LEU HD11 H 1 -0.517 0.009 . 2 . 198 . . 24 LEU HD11 . 18711 1
230 . 1 1 24 24 LEU HD12 H 1 -0.517 0.009 . 2 . 198 . . 24 LEU HD12 . 18711 1
231 . 1 1 24 24 LEU HD13 H 1 -0.517 0.009 . 2 . 198 . . 24 LEU HD13 . 18711 1
232 . 1 1 24 24 LEU HD21 H 1 -0.124 0.013 . 2 . 199 . . 24 LEU HD21 . 18711 1
233 . 1 1 24 24 LEU HD22 H 1 -0.124 0.013 . 2 . 199 . . 24 LEU HD22 . 18711 1
234 . 1 1 24 24 LEU HD23 H 1 -0.124 0.013 . 2 . 199 . . 24 LEU HD23 . 18711 1
235 . 1 1 24 24 LEU CA C 13 53.626 0.124 . 1 . 191 . . 24 LEU CA . 18711 1
236 . 1 1 24 24 LEU CB C 13 42.303 0.089 . 1 . 193 . . 24 LEU CB . 18711 1
237 . 1 1 24 24 LEU CG C 13 25.660 0.177 . 1 . 196 . . 24 LEU CG . 18711 1
238 . 1 1 24 24 LEU CD1 C 13 25.461 0.153 . 2 . 200 . . 24 LEU CD1 . 18711 1
239 . 1 1 24 24 LEU CD2 C 13 22.959 0.038 . 2 . 201 . . 24 LEU CD2 . 18711 1
240 . 1 1 24 24 LEU N N 15 124.702 0.068 . 1 . 189 . . 24 LEU N . 18711 1
241 . 1 1 25 25 THR H H 1 7.285 0.006 . 1 . 203 . . 25 THR H . 18711 1
242 . 1 1 25 25 THR HA H 1 4.925 0.003 . 1 . 205 . . 25 THR HA . 18711 1
243 . 1 1 25 25 THR HB H 1 4.100 0.020 . 1 . 207 . . 25 THR HB . 18711 1
244 . 1 1 25 25 THR HG21 H 1 1.090 0.020 . 1 . 208 . . 25 THR HG21 . 18711 1
245 . 1 1 25 25 THR HG22 H 1 1.090 0.020 . 1 . 208 . . 25 THR HG22 . 18711 1
246 . 1 1 25 25 THR HG23 H 1 1.090 0.020 . 1 . 208 . . 25 THR HG23 . 18711 1
247 . 1 1 25 25 THR CA C 13 63.298 0.200 . 1 . 204 . . 25 THR CA . 18711 1
248 . 1 1 25 25 THR CB C 13 70.018 0.006 . 1 . 206 . . 25 THR CB . 18711 1
249 . 1 1 25 25 THR CG2 C 13 21.801 0.200 . 1 . 209 . . 25 THR CG2 . 18711 1
250 . 1 1 25 25 THR N N 15 116.160 0.134 . 1 . 202 . . 25 THR N . 18711 1
251 . 1 1 26 26 CYS H H 1 9.641 0.007 . 1 . 211 . . 26 CYS H . 18711 1
252 . 1 1 26 26 CYS HA H 1 5.138 0.020 . 1 . 213 . . 26 CYS HA . 18711 1
253 . 1 1 26 26 CYS HB2 H 1 3.191 0.020 . 2 . 215 . . 26 CYS HB2 . 18711 1
254 . 1 1 26 26 CYS HB3 H 1 2.730 0.010 . 2 . 216 . . 26 CYS HB3 . 18711 1
255 . 1 1 26 26 CYS CA C 13 53.799 0.053 . 1 . 212 . . 26 CYS CA . 18711 1
256 . 1 1 26 26 CYS CB C 13 41.269 0.065 . 1 . 214 . . 26 CYS CB . 18711 1
257 . 1 1 26 26 CYS N N 15 132.201 0.068 . 1 . 210 . . 26 CYS N . 18711 1
258 . 1 1 27 27 LEU H H 1 9.520 0.011 . 1 . 218 . . 27 LEU H . 18711 1
259 . 1 1 27 27 LEU HA H 1 5.068 0.013 . 1 . 220 . . 27 LEU HA . 18711 1
260 . 1 1 27 27 LEU HB2 H 1 1.797 0.016 . 2 . 222 . . 27 LEU HB2 . 18711 1
261 . 1 1 27 27 LEU HB3 H 1 1.129 0.033 . 2 . 223 . . 27 LEU HB3 . 18711 1
262 . 1 1 27 27 LEU HG H 1 1.552 0.006 . 1 . 225 . . 27 LEU HG . 18711 1
263 . 1 1 27 27 LEU HD11 H 1 0.798 0.020 . 2 . 226 . . 27 LEU HD11 . 18711 1
264 . 1 1 27 27 LEU HD12 H 1 0.798 0.020 . 2 . 226 . . 27 LEU HD12 . 18711 1
265 . 1 1 27 27 LEU HD13 H 1 0.798 0.020 . 2 . 226 . . 27 LEU HD13 . 18711 1
266 . 1 1 27 27 LEU HD21 H 1 0.843 0.005 . 2 . 227 . . 27 LEU HD21 . 18711 1
267 . 1 1 27 27 LEU HD22 H 1 0.843 0.005 . 2 . 227 . . 27 LEU HD22 . 18711 1
268 . 1 1 27 27 LEU HD23 H 1 0.843 0.005 . 2 . 227 . . 27 LEU HD23 . 18711 1
269 . 1 1 27 27 LEU CA C 13 54.866 0.171 . 1 . 219 . . 27 LEU CA . 18711 1
270 . 1 1 27 27 LEU CB C 13 45.678 0.095 . 1 . 221 . . 27 LEU CB . 18711 1
271 . 1 1 27 27 LEU CG C 13 28.343 0.080 . 1 . 224 . . 27 LEU CG . 18711 1
272 . 1 1 27 27 LEU CD1 C 13 25.908 0.088 . 2 . 228 . . 27 LEU CD1 . 18711 1
273 . 1 1 27 27 LEU CD2 C 13 24.933 0.359 . 2 . 229 . . 27 LEU CD2 . 18711 1
274 . 1 1 27 27 LEU N N 15 131.109 0.069 . 1 . 217 . . 27 LEU N . 18711 1
275 . 1 1 28 28 VAL H H 1 9.266 0.042 . 1 . 231 . . 28 VAL H . 18711 1
276 . 1 1 28 28 VAL HA H 1 5.171 0.002 . 1 . 233 . . 28 VAL HA . 18711 1
277 . 1 1 28 28 VAL HB H 1 1.847 0.004 . 1 . 235 . . 28 VAL HB . 18711 1
278 . 1 1 28 28 VAL HG11 H 1 0.921 0.004 . 2 . 236 . . 28 VAL HG11 . 18711 1
279 . 1 1 28 28 VAL HG12 H 1 0.921 0.004 . 2 . 236 . . 28 VAL HG12 . 18711 1
280 . 1 1 28 28 VAL HG13 H 1 0.921 0.004 . 2 . 236 . . 28 VAL HG13 . 18711 1
281 . 1 1 28 28 VAL HG21 H 1 0.883 0.004 . 2 . 237 . . 28 VAL HG21 . 18711 1
282 . 1 1 28 28 VAL HG22 H 1 0.883 0.004 . 2 . 237 . . 28 VAL HG22 . 18711 1
283 . 1 1 28 28 VAL HG23 H 1 0.883 0.004 . 2 . 237 . . 28 VAL HG23 . 18711 1
284 . 1 1 28 28 VAL CA C 13 60.654 0.052 . 1 . 232 . . 28 VAL CA . 18711 1
285 . 1 1 28 28 VAL CB C 13 34.849 0.079 . 1 . 234 . . 28 VAL CB . 18711 1
286 . 1 1 28 28 VAL CG1 C 13 23.005 0.074 . 2 . 238 . . 28 VAL CG1 . 18711 1
287 . 1 1 28 28 VAL CG2 C 13 22.742 0.050 . 2 . 239 . . 28 VAL CG2 . 18711 1
288 . 1 1 28 28 VAL N N 15 126.399 0.084 . 1 . 230 . . 28 VAL N . 18711 1
289 . 1 1 29 29 SER H H 1 9.292 0.006 . 1 . 241 . . 29 SER H . 18711 1
290 . 1 1 29 29 SER HA H 1 5.238 0.020 . 1 . 243 . . 29 SER HA . 18711 1
291 . 1 1 29 29 SER HB2 H 1 3.915 0.001 . 1 . 245 . . 29 SER HB2 . 18711 1
292 . 1 1 29 29 SER HB3 H 1 3.915 0.001 . 1 . 896 . . 29 SER HB3 . 18711 1
293 . 1 1 29 29 SER CA C 13 57.099 0.200 . 1 . 242 . . 29 SER CA . 18711 1
294 . 1 1 29 29 SER CB C 13 67.061 0.002 . 1 . 244 . . 29 SER CB . 18711 1
295 . 1 1 29 29 SER N N 15 120.642 0.013 . 1 . 240 . . 29 SER N . 18711 1
296 . 1 1 30 30 ASN H H 1 8.630 0.007 . 1 . 247 . . 30 ASN H . 18711 1
297 . 1 1 30 30 ASN HA H 1 4.149 0.031 . 1 . 249 . . 30 ASN HA . 18711 1
298 . 1 1 30 30 ASN HB2 H 1 3.250 0.061 . 2 . 251 . . 30 ASN HB2 . 18711 1
299 . 1 1 30 30 ASN HB3 H 1 2.853 0.001 . 2 . 252 . . 30 ASN HB3 . 18711 1
300 . 1 1 30 30 ASN HD21 H 1 7.479 0.020 . 1 . 254 . . 30 ASN HD21 . 18711 1
301 . 1 1 30 30 ASN HD22 H 1 6.788 0.009 . 1 . 255 . . 30 ASN HD22 . 18711 1
302 . 1 1 30 30 ASN CA C 13 53.939 0.046 . 1 . 248 . . 30 ASN CA . 18711 1
303 . 1 1 30 30 ASN CB C 13 37.606 0.490 . 1 . 250 . . 30 ASN CB . 18711 1
304 . 1 1 30 30 ASN N N 15 114.908 0.047 . 1 . 246 . . 30 ASN N . 18711 1
305 . 1 1 30 30 ASN ND2 N 15 111.037 0.047 . 1 . 253 . . 30 ASN ND2 . 18711 1
306 . 1 1 31 31 LEU H H 1 8.177 0.036 . 1 . 257 . . 31 LEU H . 18711 1
307 . 1 1 31 31 LEU HA H 1 4.055 0.018 . 1 . 259 . . 31 LEU HA . 18711 1
308 . 1 1 31 31 LEU HB2 H 1 1.666 0.020 . 2 . 261 . . 31 LEU HB2 . 18711 1
309 . 1 1 31 31 LEU HB3 H 1 1.192 0.020 . 2 . 262 . . 31 LEU HB3 . 18711 1
310 . 1 1 31 31 LEU HG H 1 1.362 0.020 . 1 . 264 . . 31 LEU HG . 18711 1
311 . 1 1 31 31 LEU HD11 H 1 0.714 0.027 . 2 . 265 . . 31 LEU HD11 . 18711 1
312 . 1 1 31 31 LEU HD12 H 1 0.714 0.027 . 2 . 265 . . 31 LEU HD12 . 18711 1
313 . 1 1 31 31 LEU HD13 H 1 0.714 0.027 . 2 . 265 . . 31 LEU HD13 . 18711 1
314 . 1 1 31 31 LEU HD21 H 1 0.478 0.007 . 2 . 266 . . 31 LEU HD21 . 18711 1
315 . 1 1 31 31 LEU HD22 H 1 0.478 0.007 . 2 . 266 . . 31 LEU HD22 . 18711 1
316 . 1 1 31 31 LEU HD23 H 1 0.478 0.007 . 2 . 266 . . 31 LEU HD23 . 18711 1
317 . 1 1 31 31 LEU CA C 13 54.660 0.040 . 1 . 258 . . 31 LEU CA . 18711 1
318 . 1 1 31 31 LEU CB C 13 43.550 0.065 . 1 . 260 . . 31 LEU CB . 18711 1
319 . 1 1 31 31 LEU CG C 13 26.998 0.247 . 1 . 263 . . 31 LEU CG . 18711 1
320 . 1 1 31 31 LEU CD1 C 13 26.914 0.125 . 2 . 267 . . 31 LEU CD1 . 18711 1
321 . 1 1 31 31 LEU CD2 C 13 24.175 0.129 . 2 . 268 . . 31 LEU CD2 . 18711 1
322 . 1 1 31 31 LEU N N 15 116.404 0.088 . 1 . 256 . . 31 LEU N . 18711 1
323 . 1 1 32 32 ALA H H 1 9.826 0.012 . 1 . 270 . . 32 ALA H . 18711 1
324 . 1 1 32 32 ALA HA H 1 4.449 0.020 . 1 . 272 . . 32 ALA HA . 18711 1
325 . 1 1 32 32 ALA HB1 H 1 1.539 0.020 . 1 . 273 . . 32 ALA HB1 . 18711 1
326 . 1 1 32 32 ALA HB2 H 1 1.539 0.020 . 1 . 273 . . 32 ALA HB2 . 18711 1
327 . 1 1 32 32 ALA HB3 H 1 1.539 0.020 . 1 . 273 . . 32 ALA HB3 . 18711 1
328 . 1 1 32 32 ALA CA C 13 53.691 0.057 . 1 . 271 . . 32 ALA CA . 18711 1
329 . 1 1 32 32 ALA CB C 13 19.879 0.200 . 1 . 274 . . 32 ALA CB . 18711 1
330 . 1 1 32 32 ALA N N 15 124.291 0.030 . 1 . 269 . . 32 ALA N . 18711 1
331 . 1 1 33 33 THR H H 1 7.300 0.020 . 1 . 276 . . 33 THR H . 18711 1
332 . 1 1 33 33 THR HG21 H 1 1.266 0.011 . 1 . 278 . . 33 THR HG21 . 18711 1
333 . 1 1 33 33 THR HG22 H 1 1.266 0.011 . 1 . 278 . . 33 THR HG22 . 18711 1
334 . 1 1 33 33 THR HG23 H 1 1.266 0.011 . 1 . 278 . . 33 THR HG23 . 18711 1
335 . 1 1 33 33 THR CA C 13 58.992 0.200 . 1 . 277 . . 33 THR CA . 18711 1
336 . 1 1 33 33 THR CG2 C 13 20.066 0.126 . 1 . 279 . . 33 THR CG2 . 18711 1
337 . 1 1 33 33 THR N N 15 105.198 0.330 . 1 . 275 . . 33 THR N . 18711 1
338 . 1 1 34 34 TYR HA H 1 4.472 0.020 . 1 . 281 . . 34 TYR HA . 18711 1
339 . 1 1 34 34 TYR HB2 H 1 2.760 0.020 . 1 . 897 . . 34 TYR HB2 . 18711 1
340 . 1 1 34 34 TYR HB3 H 1 2.760 0.020 . 1 . 283 . . 34 TYR HB3 . 18711 1
341 . 1 1 34 34 TYR HE1 H 1 6.543 0.003 . 3 . 284 . . 34 TYR HE1 . 18711 1
342 . 1 1 34 34 TYR HE2 H 1 6.543 0.003 . 3 . 284 . . 34 TYR HE2 . 18711 1
343 . 1 1 34 34 TYR CA C 13 55.325 0.001 . 1 . 280 . . 34 TYR CA . 18711 1
344 . 1 1 34 34 TYR CB C 13 38.907 0.200 . 1 . 282 . . 34 TYR CB . 18711 1
345 . 1 1 34 34 TYR CE1 C 13 118.746 0.200 . 3 . 285 . . 34 TYR CE1 . 18711 1
346 . 1 1 34 34 TYR CE2 C 13 118.746 0.200 . 3 . 285 . . 34 TYR CE2 . 18711 1
347 . 1 1 37 37 LEU HB2 H 1 2.123 0.009 . 2 . 288 . . 37 LEU HB2 . 18711 1
348 . 1 1 37 37 LEU HB3 H 1 1.375 0.006 . 2 . 289 . . 37 LEU HB3 . 18711 1
349 . 1 1 37 37 LEU HG H 1 1.405 0.029 . 1 . 291 . . 37 LEU HG . 18711 1
350 . 1 1 37 37 LEU HD11 H 1 0.885 0.045 . 2 . 292 . . 37 LEU HD11 . 18711 1
351 . 1 1 37 37 LEU HD12 H 1 0.885 0.045 . 2 . 292 . . 37 LEU HD12 . 18711 1
352 . 1 1 37 37 LEU HD13 H 1 0.885 0.045 . 2 . 292 . . 37 LEU HD13 . 18711 1
353 . 1 1 37 37 LEU HD21 H 1 1.046 0.011 . 2 . 293 . . 37 LEU HD21 . 18711 1
354 . 1 1 37 37 LEU HD22 H 1 1.046 0.011 . 2 . 293 . . 37 LEU HD22 . 18711 1
355 . 1 1 37 37 LEU HD23 H 1 1.046 0.011 . 2 . 293 . . 37 LEU HD23 . 18711 1
356 . 1 1 37 37 LEU CA C 13 55.873 0.200 . 1 . 286 . . 37 LEU CA . 18711 1
357 . 1 1 37 37 LEU CB C 13 44.246 0.140 . 1 . 287 . . 37 LEU CB . 18711 1
358 . 1 1 37 37 LEU CG C 13 27.794 0.001 . 1 . 290 . . 37 LEU CG . 18711 1
359 . 1 1 37 37 LEU CD1 C 13 27.225 0.024 . 2 . 294 . . 37 LEU CD1 . 18711 1
360 . 1 1 37 37 LEU CD2 C 13 23.418 0.029 . 2 . 295 . . 37 LEU CD2 . 18711 1
361 . 1 1 38 38 ASN H H 1 9.092 0.020 . 1 . 297 . . 38 ASN H . 18711 1
362 . 1 1 38 38 ASN HA H 1 4.844 0.020 . 1 . 299 . . 38 ASN HA . 18711 1
363 . 1 1 38 38 ASN HB2 H 1 2.798 0.020 . 2 . 301 . . 38 ASN HB2 . 18711 1
364 . 1 1 38 38 ASN HB3 H 1 2.543 0.020 . 2 . 302 . . 38 ASN HB3 . 18711 1
365 . 1 1 38 38 ASN HD21 H 1 7.428 0.025 . 1 . 304 . . 38 ASN HD21 . 18711 1
366 . 1 1 38 38 ASN HD22 H 1 6.852 0.020 . 1 . 305 . . 38 ASN HD22 . 18711 1
367 . 1 1 38 38 ASN CA C 13 53.866 0.200 . 1 . 298 . . 38 ASN CA . 18711 1
368 . 1 1 38 38 ASN CB C 13 41.918 0.089 . 1 . 300 . . 38 ASN CB . 18711 1
369 . 1 1 38 38 ASN N N 15 125.142 0.007 . 1 . 296 . . 38 ASN N . 18711 1
370 . 1 1 38 38 ASN ND2 N 15 112.186 0.200 . 1 . 303 . . 38 ASN ND2 . 18711 1
371 . 1 1 39 39 ILE H H 1 7.178 0.020 . 1 . 307 . . 39 ILE H . 18711 1
372 . 1 1 39 39 ILE HA H 1 4.506 0.027 . 1 . 309 . . 39 ILE HA . 18711 1
373 . 1 1 39 39 ILE HB H 1 1.373 0.020 . 1 . 311 . . 39 ILE HB . 18711 1
374 . 1 1 39 39 ILE HG12 H 1 1.420 0.020 . 2 . 315 . . 39 ILE HG12 . 18711 1
375 . 1 1 39 39 ILE HG13 H 1 0.884 0.023 . 2 . 316 . . 39 ILE HG13 . 18711 1
376 . 1 1 39 39 ILE HG21 H 1 0.665 0.020 . 1 . 312 . . 39 ILE HG21 . 18711 1
377 . 1 1 39 39 ILE HG22 H 1 0.665 0.020 . 1 . 312 . . 39 ILE HG22 . 18711 1
378 . 1 1 39 39 ILE HG23 H 1 0.665 0.020 . 1 . 312 . . 39 ILE HG23 . 18711 1
379 . 1 1 39 39 ILE HD11 H 1 0.739 0.003 . 1 . 317 . . 39 ILE HD11 . 18711 1
380 . 1 1 39 39 ILE HD12 H 1 0.739 0.003 . 1 . 317 . . 39 ILE HD12 . 18711 1
381 . 1 1 39 39 ILE HD13 H 1 0.739 0.003 . 1 . 317 . . 39 ILE HD13 . 18711 1
382 . 1 1 39 39 ILE CA C 13 61.084 0.043 . 1 . 308 . . 39 ILE CA . 18711 1
383 . 1 1 39 39 ILE CB C 13 41.552 0.034 . 1 . 310 . . 39 ILE CB . 18711 1
384 . 1 1 39 39 ILE CG1 C 13 27.355 0.104 . 1 . 314 . . 39 ILE CG1 . 18711 1
385 . 1 1 39 39 ILE CG2 C 13 18.472 0.033 . 1 . 313 . . 39 ILE CG2 . 18711 1
386 . 1 1 39 39 ILE CD1 C 13 14.984 0.031 . 1 . 318 . . 39 ILE CD1 . 18711 1
387 . 1 1 39 39 ILE N N 15 121.974 0.075 . 1 . 306 . . 39 ILE N . 18711 1
388 . 1 1 40 40 SER H H 1 8.530 0.020 . 1 . 320 . . 40 SER H . 18711 1
389 . 1 1 40 40 SER HA H 1 4.816 0.004 . 1 . 322 . . 40 SER HA . 18711 1
390 . 1 1 40 40 SER HB2 H 1 3.744 0.020 . 2 . 324 . . 40 SER HB2 . 18711 1
391 . 1 1 40 40 SER HB3 H 1 3.664 0.020 . 2 . 325 . . 40 SER HB3 . 18711 1
392 . 1 1 40 40 SER CA C 13 56.843 0.001 . 1 . 321 . . 40 SER CA . 18711 1
393 . 1 1 40 40 SER CB C 13 65.753 0.060 . 1 . 323 . . 40 SER CB . 18711 1
394 . 1 1 40 40 SER N N 15 119.448 0.005 . 1 . 319 . . 40 SER N . 18711 1
395 . 1 1 41 41 TRP H H 1 8.004 0.007 . 1 . 327 . . 41 TRP H . 18711 1
396 . 1 1 41 41 TRP HA H 1 5.488 0.020 . 1 . 329 . . 41 TRP HA . 18711 1
397 . 1 1 41 41 TRP HB2 H 1 2.881 0.003 . 1 . 331 . . 41 TRP HB2 . 18711 1
398 . 1 1 41 41 TRP HB3 H 1 2.881 0.003 . 1 . 898 . . 41 TRP HB3 . 18711 1
399 . 1 1 41 41 TRP HD1 H 1 6.945 0.020 . 1 . 335 . . 41 TRP HD1 . 18711 1
400 . 1 1 41 41 TRP HE1 H 1 8.742 0.020 . 1 . 339 . . 41 TRP HE1 . 18711 1
401 . 1 1 41 41 TRP HE3 H 1 7.488 0.658 . 1 . 336 . . 41 TRP HE3 . 18711 1
402 . 1 1 41 41 TRP HZ2 H 1 6.847 0.684 . 1 . 341 . . 41 TRP HZ2 . 18711 1
403 . 1 1 41 41 TRP HZ3 H 1 6.861 0.020 . 1 . 340 . . 41 TRP HZ3 . 18711 1
404 . 1 1 41 41 TRP CA C 13 56.779 0.200 . 1 . 328 . . 41 TRP CA . 18711 1
405 . 1 1 41 41 TRP CB C 13 33.092 0.001 . 1 . 330 . . 41 TRP CB . 18711 1
406 . 1 1 41 41 TRP CD1 C 13 127.402 0.200 . 1 . 332 . . 41 TRP CD1 . 18711 1
407 . 1 1 41 41 TRP CE3 C 13 121.862 0.238 . 1 . 333 . . 41 TRP CE3 . 18711 1
408 . 1 1 41 41 TRP CZ2 C 13 113.976 0.200 . 1 . 338 . . 41 TRP CZ2 . 18711 1
409 . 1 1 41 41 TRP CZ3 C 13 122.753 0.200 . 1 . 337 . . 41 TRP CZ3 . 18711 1
410 . 1 1 41 41 TRP N N 15 125.960 0.038 . 1 . 326 . . 41 TRP N . 18711 1
411 . 1 1 41 41 TRP NE1 N 15 125.447 0.200 . 1 . 334 . . 41 TRP NE1 . 18711 1
412 . 1 1 42 42 ALA H H 1 9.188 0.001 . 1 . 343 . . 42 ALA H . 18711 1
413 . 1 1 42 42 ALA HA H 1 5.278 0.020 . 1 . 345 . . 42 ALA HA . 18711 1
414 . 1 1 42 42 ALA HB1 H 1 1.321 0.020 . 1 . 346 . . 42 ALA HB1 . 18711 1
415 . 1 1 42 42 ALA HB2 H 1 1.321 0.020 . 1 . 346 . . 42 ALA HB2 . 18711 1
416 . 1 1 42 42 ALA HB3 H 1 1.321 0.020 . 1 . 346 . . 42 ALA HB3 . 18711 1
417 . 1 1 42 42 ALA CA C 13 51.590 0.442 . 1 . 344 . . 42 ALA CA . 18711 1
418 . 1 1 42 42 ALA CB C 13 24.140 0.012 . 1 . 347 . . 42 ALA CB . 18711 1
419 . 1 1 42 42 ALA N N 15 121.368 0.018 . 1 . 342 . . 42 ALA N . 18711 1
420 . 1 1 43 43 SER H H 1 8.910 0.001 . 1 . 349 . . 43 SER H . 18711 1
421 . 1 1 43 43 SER HA H 1 5.119 0.020 . 1 . 351 . . 43 SER HA . 18711 1
422 . 1 1 43 43 SER HB2 H 1 4.419 0.002 . 2 . 353 . . 43 SER HB2 . 18711 1
423 . 1 1 43 43 SER HB3 H 1 4.091 0.020 . 2 . 354 . . 43 SER HB3 . 18711 1
424 . 1 1 43 43 SER CA C 13 57.758 0.200 . 1 . 350 . . 43 SER CA . 18711 1
425 . 1 1 43 43 SER CB C 13 65.533 0.150 . 1 . 352 . . 43 SER CB . 18711 1
426 . 1 1 43 43 SER N N 15 114.478 0.018 . 1 . 348 . . 43 SER N . 18711 1
427 . 1 1 44 44 GLN H H 1 8.611 0.014 . 1 . 356 . . 44 GLN H . 18711 1
428 . 1 1 44 44 GLN HA H 1 4.044 0.005 . 1 . 358 . . 44 GLN HA . 18711 1
429 . 1 1 44 44 GLN HB2 H 1 2.158 0.005 . 1 . 360 . . 44 GLN HB2 . 18711 1
430 . 1 1 44 44 GLN HB3 H 1 2.158 0.005 . 1 . 899 . . 44 GLN HB3 . 18711 1
431 . 1 1 44 44 GLN HG2 H 1 2.470 0.020 . 2 . 362 . . 44 GLN HG2 . 18711 1
432 . 1 1 44 44 GLN HG3 H 1 2.404 0.020 . 2 . 363 . . 44 GLN HG3 . 18711 1
433 . 1 1 44 44 GLN HE21 H 1 7.520 0.001 . 1 . 365 . . 44 GLN HE21 . 18711 1
434 . 1 1 44 44 GLN HE22 H 1 6.684 0.004 . 1 . 366 . . 44 GLN HE22 . 18711 1
435 . 1 1 44 44 GLN CA C 13 59.153 0.047 . 1 . 357 . . 44 GLN CA . 18711 1
436 . 1 1 44 44 GLN CB C 13 28.642 0.049 . 1 . 359 . . 44 GLN CB . 18711 1
437 . 1 1 44 44 GLN CG C 13 33.450 0.207 . 1 . 361 . . 44 GLN CG . 18711 1
438 . 1 1 44 44 GLN N N 15 122.794 0.007 . 1 . 355 . . 44 GLN N . 18711 1
439 . 1 1 44 44 GLN NE2 N 15 111.456 0.016 . 1 . 364 . . 44 GLN NE2 . 18711 1
440 . 1 1 45 45 SER H H 1 8.007 0.020 . 1 . 368 . . 45 SER H . 18711 1
441 . 1 1 45 45 SER HA H 1 4.417 0.004 . 1 . 370 . . 45 SER HA . 18711 1
442 . 1 1 45 45 SER HB2 H 1 4.120 0.020 . 2 . 372 . . 45 SER HB2 . 18711 1
443 . 1 1 45 45 SER HB3 H 1 3.846 0.015 . 2 . 373 . . 45 SER HB3 . 18711 1
444 . 1 1 45 45 SER CA C 13 58.698 0.086 . 1 . 369 . . 45 SER CA . 18711 1
445 . 1 1 45 45 SER CB C 13 63.576 0.068 . 1 . 371 . . 45 SER CB . 18711 1
446 . 1 1 45 45 SER N N 15 111.236 0.200 . 1 . 367 . . 45 SER N . 18711 1
447 . 1 1 46 46 GLY H H 1 8.006 0.001 . 1 . 375 . . 46 GLY H . 18711 1
448 . 1 1 46 46 GLY HA2 H 1 4.324 0.020 . 2 . 377 . . 46 GLY HA2 . 18711 1
449 . 1 1 46 46 GLY HA3 H 1 3.623 0.020 . 2 . 378 . . 46 GLY HA3 . 18711 1
450 . 1 1 46 46 GLY CA C 13 45.390 0.035 . 1 . 376 . . 46 GLY CA . 18711 1
451 . 1 1 46 46 GLY N N 15 110.195 0.010 . 1 . 374 . . 46 GLY N . 18711 1
452 . 1 1 47 47 GLU H H 1 7.935 0.010 . 1 . 380 . . 47 GLU H . 18711 1
453 . 1 1 47 47 GLU HA H 1 4.591 0.020 . 1 . 382 . . 47 GLU HA . 18711 1
454 . 1 1 47 47 GLU HB2 H 1 2.085 0.020 . 2 . 384 . . 47 GLU HB2 . 18711 1
455 . 1 1 47 47 GLU HB3 H 1 2.000 0.020 . 2 . 385 . . 47 GLU HB3 . 18711 1
456 . 1 1 47 47 GLU HG2 H 1 2.273 0.020 . 1 . 900 . . 47 GLU HG2 . 18711 1
457 . 1 1 47 47 GLU HG3 H 1 2.273 0.020 . 1 . 387 . . 47 GLU HG3 . 18711 1
458 . 1 1 47 47 GLU CA C 13 54.720 0.203 . 1 . 381 . . 47 GLU CA . 18711 1
459 . 1 1 47 47 GLU CB C 13 29.788 0.021 . 1 . 383 . . 47 GLU CB . 18711 1
460 . 1 1 47 47 GLU CG C 13 36.160 0.033 . 1 . 386 . . 47 GLU CG . 18711 1
461 . 1 1 47 47 GLU N N 15 123.638 0.044 . 1 . 379 . . 47 GLU N . 18711 1
462 . 1 1 48 48 PRO HA H 1 4.661 0.008 . 1 . 390 . . 48 PRO HA . 18711 1
463 . 1 1 48 48 PRO HB2 H 1 1.990 0.009 . 2 . 392 . . 48 PRO HB2 . 18711 1
464 . 1 1 48 48 PRO HB3 H 1 2.361 0.011 . 2 . 393 . . 48 PRO HB3 . 18711 1
465 . 1 1 48 48 PRO HG2 H 1 2.178 0.005 . 2 . 395 . . 48 PRO HG2 . 18711 1
466 . 1 1 48 48 PRO HG3 H 1 2.052 0.020 . 2 . 396 . . 48 PRO HG3 . 18711 1
467 . 1 1 48 48 PRO HD2 H 1 4.109 0.003 . 2 . 397 . . 48 PRO HD2 . 18711 1
468 . 1 1 48 48 PRO HD3 H 1 3.782 0.010 . 2 . 398 . . 48 PRO HD3 . 18711 1
469 . 1 1 48 48 PRO CA C 13 63.461 0.142 . 1 . 389 . . 48 PRO CA . 18711 1
470 . 1 1 48 48 PRO CB C 13 32.873 0.099 . 1 . 391 . . 48 PRO CB . 18711 1
471 . 1 1 48 48 PRO CG C 13 27.699 0.141 . 1 . 394 . . 48 PRO CG . 18711 1
472 . 1 1 48 48 PRO CD C 13 51.316 0.017 . 1 . 388 . . 48 PRO CD . 18711 1
473 . 1 1 49 49 LEU H H 1 8.600 0.005 . 1 . 400 . . 49 LEU H . 18711 1
474 . 1 1 49 49 LEU HA H 1 4.735 0.016 . 1 . 402 . . 49 LEU HA . 18711 1
475 . 1 1 49 49 LEU HB2 H 1 1.459 0.010 . 2 . 404 . . 49 LEU HB2 . 18711 1
476 . 1 1 49 49 LEU HB3 H 1 1.358 0.030 . 2 . 405 . . 49 LEU HB3 . 18711 1
477 . 1 1 49 49 LEU HG H 1 1.727 0.003 . 1 . 407 . . 49 LEU HG . 18711 1
478 . 1 1 49 49 LEU HD11 H 1 0.774 0.006 . 2 . 408 . . 49 LEU HD11 . 18711 1
479 . 1 1 49 49 LEU HD12 H 1 0.774 0.006 . 2 . 408 . . 49 LEU HD12 . 18711 1
480 . 1 1 49 49 LEU HD13 H 1 0.774 0.006 . 2 . 408 . . 49 LEU HD13 . 18711 1
481 . 1 1 49 49 LEU HD21 H 1 0.948 0.020 . 2 . 409 . . 49 LEU HD21 . 18711 1
482 . 1 1 49 49 LEU HD22 H 1 0.948 0.020 . 2 . 409 . . 49 LEU HD22 . 18711 1
483 . 1 1 49 49 LEU HD23 H 1 0.948 0.020 . 2 . 409 . . 49 LEU HD23 . 18711 1
484 . 1 1 49 49 LEU CA C 13 53.310 0.200 . 1 . 401 . . 49 LEU CA . 18711 1
485 . 1 1 49 49 LEU CB C 13 44.063 0.091 . 1 . 403 . . 49 LEU CB . 18711 1
486 . 1 1 49 49 LEU CG C 13 27.708 0.148 . 1 . 406 . . 49 LEU CG . 18711 1
487 . 1 1 49 49 LEU CD1 C 13 26.510 0.041 . 2 . 410 . . 49 LEU CD1 . 18711 1
488 . 1 1 49 49 LEU CD2 C 13 23.799 0.084 . 2 . 411 . . 49 LEU CD2 . 18711 1
489 . 1 1 49 49 LEU N N 15 122.883 0.016 . 1 . 399 . . 49 LEU N . 18711 1
490 . 1 1 50 50 GLU H H 1 8.838 0.023 . 1 . 413 . . 50 GLU H . 18711 1
491 . 1 1 50 50 GLU HA H 1 4.179 0.025 . 1 . 415 . . 50 GLU HA . 18711 1
492 . 1 1 50 50 GLU HB2 H 1 2.036 0.020 . 1 . 901 . . 50 GLU HB2 . 18711 1
493 . 1 1 50 50 GLU HB3 H 1 2.036 0.020 . 1 . 417 . . 50 GLU HB3 . 18711 1
494 . 1 1 50 50 GLU HG2 H 1 2.312 0.020 . 2 . 419 . . 50 GLU HG2 . 18711 1
495 . 1 1 50 50 GLU HG3 H 1 2.155 0.001 . 2 . 420 . . 50 GLU HG3 . 18711 1
496 . 1 1 50 50 GLU CA C 13 58.399 0.109 . 1 . 414 . . 50 GLU CA . 18711 1
497 . 1 1 50 50 GLU CB C 13 29.698 0.085 . 1 . 416 . . 50 GLU CB . 18711 1
498 . 1 1 50 50 GLU CG C 13 36.412 0.176 . 1 . 418 . . 50 GLU CG . 18711 1
499 . 1 1 50 50 GLU N N 15 125.617 0.076 . 1 . 412 . . 50 GLU N . 18711 1
500 . 1 1 51 51 THR H H 1 9.082 0.001 . 1 . 422 . . 51 THR H . 18711 1
501 . 1 1 51 51 THR HA H 1 4.965 0.020 . 1 . 424 . . 51 THR HA . 18711 1
502 . 1 1 51 51 THR HB H 1 4.304 0.020 . 1 . 426 . . 51 THR HB . 18711 1
503 . 1 1 51 51 THR HG21 H 1 1.051 0.020 . 1 . 427 . . 51 THR HG21 . 18711 1
504 . 1 1 51 51 THR HG22 H 1 1.051 0.020 . 1 . 427 . . 51 THR HG22 . 18711 1
505 . 1 1 51 51 THR HG23 H 1 1.051 0.020 . 1 . 427 . . 51 THR HG23 . 18711 1
506 . 1 1 51 51 THR CA C 13 62.768 0.200 . 1 . 423 . . 51 THR CA . 18711 1
507 . 1 1 51 51 THR CB C 13 71.763 0.029 . 1 . 425 . . 51 THR CB . 18711 1
508 . 1 1 51 51 THR CG2 C 13 21.601 0.116 . 1 . 428 . . 51 THR CG2 . 18711 1
509 . 1 1 51 51 THR N N 15 125.060 0.103 . 1 . 421 . . 51 THR N . 18711 1
510 . 1 1 52 52 LYS H H 1 8.906 0.005 . 1 . 430 . . 52 LYS H . 18711 1
511 . 1 1 52 52 LYS HA H 1 4.691 0.007 . 1 . 432 . . 52 LYS HA . 18711 1
512 . 1 1 52 52 LYS HB2 H 1 1.801 0.020 . 1 . 434 . . 52 LYS HB2 . 18711 1
513 . 1 1 52 52 LYS HB3 H 1 1.801 0.020 . 1 . 902 . . 52 LYS HB3 . 18711 1
514 . 1 1 52 52 LYS HG2 H 1 1.453 0.020 . 1 . 436 . . 52 LYS HG2 . 18711 1
515 . 1 1 52 52 LYS HG3 H 1 1.453 0.020 . 1 . 905 . . 52 LYS HG3 . 18711 1
516 . 1 1 52 52 LYS HD2 H 1 1.665 0.002 . 1 . 438 . . 52 LYS HD2 . 18711 1
517 . 1 1 52 52 LYS HD3 H 1 1.665 0.002 . 1 . 903 . . 52 LYS HD3 . 18711 1
518 . 1 1 52 52 LYS HE2 H 1 2.949 0.020 . 1 . 440 . . 52 LYS HE2 . 18711 1
519 . 1 1 52 52 LYS HE3 H 1 2.949 0.020 . 1 . 904 . . 52 LYS HE3 . 18711 1
520 . 1 1 52 52 LYS CA C 13 55.180 0.200 . 1 . 431 . . 52 LYS CA . 18711 1
521 . 1 1 52 52 LYS CB C 13 34.168 0.023 . 1 . 433 . . 52 LYS CB . 18711 1
522 . 1 1 52 52 LYS CG C 13 25.273 0.044 . 1 . 435 . . 52 LYS CG . 18711 1
523 . 1 1 52 52 LYS CD C 13 29.240 0.036 . 1 . 437 . . 52 LYS CD . 18711 1
524 . 1 1 52 52 LYS CE C 13 42.511 0.001 . 1 . 439 . . 52 LYS CE . 18711 1
525 . 1 1 52 52 LYS N N 15 128.089 0.084 . 1 . 429 . . 52 LYS N . 18711 1
526 . 1 1 53 53 ILE H H 1 9.012 0.038 . 1 . 442 . . 53 ILE H . 18711 1
527 . 1 1 53 53 ILE HA H 1 5.302 0.030 . 1 . 444 . . 53 ILE HA . 18711 1
528 . 1 1 53 53 ILE HB H 1 1.753 0.020 . 1 . 446 . . 53 ILE HB . 18711 1
529 . 1 1 53 53 ILE HG12 H 1 0.914 0.020 . 1 . 906 . . 53 ILE HG12 . 18711 1
530 . 1 1 53 53 ILE HG13 H 1 0.914 0.020 . 1 . 450 . . 53 ILE HG13 . 18711 1
531 . 1 1 53 53 ILE HG21 H 1 0.738 0.021 . 1 . 447 . . 53 ILE HG21 . 18711 1
532 . 1 1 53 53 ILE HG22 H 1 0.738 0.021 . 1 . 447 . . 53 ILE HG22 . 18711 1
533 . 1 1 53 53 ILE HG23 H 1 0.738 0.021 . 1 . 447 . . 53 ILE HG23 . 18711 1
534 . 1 1 53 53 ILE HD11 H 1 1.023 0.055 . 1 . 451 . . 53 ILE HD11 . 18711 1
535 . 1 1 53 53 ILE HD12 H 1 1.023 0.055 . 1 . 451 . . 53 ILE HD12 . 18711 1
536 . 1 1 53 53 ILE HD13 H 1 1.023 0.055 . 1 . 451 . . 53 ILE HD13 . 18711 1
537 . 1 1 53 53 ILE CA C 13 60.706 0.101 . 1 . 443 . . 53 ILE CA . 18711 1
538 . 1 1 53 53 ILE CB C 13 40.500 0.133 . 1 . 445 . . 53 ILE CB . 18711 1
539 . 1 1 53 53 ILE CG1 C 13 28.618 0.200 . 1 . 449 . . 53 ILE CG1 . 18711 1
540 . 1 1 53 53 ILE CG2 C 13 17.365 0.107 . 1 . 448 . . 53 ILE CG2 . 18711 1
541 . 1 1 53 53 ILE CD1 C 13 14.365 0.055 . 1 . 452 . . 53 ILE CD1 . 18711 1
542 . 1 1 53 53 ILE N N 15 126.567 0.066 . 1 . 441 . . 53 ILE N . 18711 1
543 . 1 1 54 54 LYS H H 1 8.751 0.020 . 1 . 454 . . 54 LYS H . 18711 1
544 . 1 1 54 54 LYS HA H 1 4.678 0.001 . 1 . 456 . . 54 LYS HA . 18711 1
545 . 1 1 54 54 LYS HB2 H 1 1.768 0.020 . 2 . 458 . . 54 LYS HB2 . 18711 1
546 . 1 1 54 54 LYS HB3 H 1 1.666 0.020 . 2 . 459 . . 54 LYS HB3 . 18711 1
547 . 1 1 54 54 LYS HG2 H 1 1.365 0.010 . 1 . 909 . . 54 LYS HG2 . 18711 1
548 . 1 1 54 54 LYS HG3 H 1 1.365 0.010 . 1 . 461 . . 54 LYS HG3 . 18711 1
549 . 1 1 54 54 LYS HD2 H 1 1.648 0.020 . 1 . 907 . . 54 LYS HD2 . 18711 1
550 . 1 1 54 54 LYS HD3 H 1 1.648 0.020 . 1 . 463 . . 54 LYS HD3 . 18711 1
551 . 1 1 54 54 LYS HE2 H 1 2.944 0.020 . 1 . 908 . . 54 LYS HE2 . 18711 1
552 . 1 1 54 54 LYS HE3 H 1 2.944 0.020 . 1 . 465 . . 54 LYS HE3 . 18711 1
553 . 1 1 54 54 LYS CA C 13 55.197 0.200 . 1 . 455 . . 54 LYS CA . 18711 1
554 . 1 1 54 54 LYS CB C 13 35.886 0.142 . 1 . 457 . . 54 LYS CB . 18711 1
555 . 1 1 54 54 LYS CG C 13 25.130 0.083 . 1 . 460 . . 54 LYS CG . 18711 1
556 . 1 1 54 54 LYS CD C 13 29.446 0.200 . 1 . 462 . . 54 LYS CD . 18711 1
557 . 1 1 54 54 LYS CE C 13 42.484 0.043 . 1 . 464 . . 54 LYS CE . 18711 1
558 . 1 1 54 54 LYS N N 15 128.426 0.200 . 1 . 453 . . 54 LYS N . 18711 1
559 . 1 1 55 55 VAL H H 1 8.692 0.020 . 1 . 467 . . 55 VAL H . 18711 1
560 . 1 1 55 55 VAL HA H 1 4.144 0.020 . 1 . 469 . . 55 VAL HA . 18711 1
561 . 1 1 55 55 VAL HB H 1 1.811 0.020 . 1 . 471 . . 55 VAL HB . 18711 1
562 . 1 1 55 55 VAL HG11 H 1 0.660 0.001 . 1 . 472 . . 55 VAL HG11 . 18711 1
563 . 1 1 55 55 VAL HG12 H 1 0.660 0.001 . 1 . 472 . . 55 VAL HG12 . 18711 1
564 . 1 1 55 55 VAL HG13 H 1 0.660 0.001 . 1 . 472 . . 55 VAL HG13 . 18711 1
565 . 1 1 55 55 VAL HG21 H 1 0.660 0.001 . 1 . 473 . . 55 VAL HG21 . 18711 1
566 . 1 1 55 55 VAL HG22 H 1 0.660 0.001 . 1 . 473 . . 55 VAL HG22 . 18711 1
567 . 1 1 55 55 VAL HG23 H 1 0.660 0.001 . 1 . 473 . . 55 VAL HG23 . 18711 1
568 . 1 1 55 55 VAL CA C 13 62.950 0.001 . 1 . 468 . . 55 VAL CA . 18711 1
569 . 1 1 55 55 VAL CB C 13 32.694 0.001 . 1 . 470 . . 55 VAL CB . 18711 1
570 . 1 1 55 55 VAL CG1 C 13 21.171 0.001 . 1 . 474 . . 55 VAL CG1 . 18711 1
571 . 1 1 55 55 VAL CG2 C 13 21.171 0.001 . 1 . 475 . . 55 VAL CG2 . 18711 1
572 . 1 1 55 55 VAL N N 15 125.847 0.200 . 1 . 466 . . 55 VAL N . 18711 1
573 . 1 1 56 56 MET HA H 1 4.063 0.020 . 1 . 477 . . 56 MET HA . 18711 1
574 . 1 1 56 56 MET HB2 H 1 2.131 0.001 . 1 . 910 . . 56 MET HB2 . 18711 1
575 . 1 1 56 56 MET HB3 H 1 2.131 0.001 . 1 . 479 . . 56 MET HB3 . 18711 1
576 . 1 1 56 56 MET HG2 H 1 2.614 0.020 . 1 . 481 . . 56 MET HG2 . 18711 1
577 . 1 1 56 56 MET HG3 H 1 2.614 0.020 . 1 . 911 . . 56 MET HG3 . 18711 1
578 . 1 1 56 56 MET CA C 13 55.723 0.200 . 1 . 476 . . 56 MET CA . 18711 1
579 . 1 1 56 56 MET CB C 13 33.474 0.200 . 1 . 478 . . 56 MET CB . 18711 1
580 . 1 1 56 56 MET CG C 13 31.369 0.001 . 1 . 480 . . 56 MET CG . 18711 1
581 . 1 1 57 57 GLU HA H 1 4.831 0.021 . 1 . 483 . . 57 GLU HA . 18711 1
582 . 1 1 57 57 GLU HB2 H 1 2.057 0.020 . 2 . 485 . . 57 GLU HB2 . 18711 1
583 . 1 1 57 57 GLU HB3 H 1 1.972 0.020 . 2 . 486 . . 57 GLU HB3 . 18711 1
584 . 1 1 57 57 GLU HG2 H 1 2.548 0.020 . 1 . 912 . . 57 GLU HG2 . 18711 1
585 . 1 1 57 57 GLU HG3 H 1 2.548 0.020 . 1 . 488 . . 57 GLU HG3 . 18711 1
586 . 1 1 57 57 GLU CA C 13 54.795 0.200 . 1 . 482 . . 57 GLU CA . 18711 1
587 . 1 1 57 57 GLU CB C 13 35.916 0.177 . 1 . 484 . . 57 GLU CB . 18711 1
588 . 1 1 57 57 GLU CG C 13 32.017 0.045 . 1 . 487 . . 57 GLU CG . 18711 1
589 . 1 1 58 58 SER H H 1 8.805 0.020 . 1 . 490 . . 58 SER H . 18711 1
590 . 1 1 58 58 SER HA H 1 5.141 0.020 . 1 . 492 . . 58 SER HA . 18711 1
591 . 1 1 58 58 SER HB2 H 1 3.844 0.020 . 1 . 494 . . 58 SER HB2 . 18711 1
592 . 1 1 58 58 SER HB3 H 1 3.844 0.020 . 1 . 913 . . 58 SER HB3 . 18711 1
593 . 1 1 58 58 SER CA C 13 57.369 0.025 . 1 . 491 . . 58 SER CA . 18711 1
594 . 1 1 58 58 SER CB C 13 66.989 0.200 . 1 . 493 . . 58 SER CB . 18711 1
595 . 1 1 58 58 SER N N 15 123.126 0.200 . 1 . 489 . . 58 SER N . 18711 1
596 . 1 1 59 59 HIS H H 1 8.845 0.003 . 1 . 496 . . 59 HIS H . 18711 1
597 . 1 1 59 59 HIS HA H 1 4.654 0.005 . 1 . 498 . . 59 HIS HA . 18711 1
598 . 1 1 59 59 HIS HB2 H 1 2.982 0.020 . 2 . 500 . . 59 HIS HB2 . 18711 1
599 . 1 1 59 59 HIS HB3 H 1 2.921 0.020 . 2 . 501 . . 59 HIS HB3 . 18711 1
600 . 1 1 59 59 HIS CA C 13 54.135 0.200 . 1 . 497 . . 59 HIS CA . 18711 1
601 . 1 1 59 59 HIS CB C 13 32.193 0.103 . 1 . 499 . . 59 HIS CB . 18711 1
602 . 1 1 59 59 HIS N N 15 114.793 0.059 . 1 . 495 . . 59 HIS N . 18711 1
603 . 1 1 60 60 PRO HA H 1 4.768 0.005 . 1 . 502 . . 60 PRO HA . 18711 1
604 . 1 1 61 61 ASN HA H 1 4.588 0.006 . 1 . 504 . . 61 ASN HA . 18711 1
605 . 1 1 61 61 ASN HB2 H 1 3.172 0.014 . 2 . 506 . . 61 ASN HB2 . 18711 1
606 . 1 1 61 61 ASN HB3 H 1 2.869 0.004 . 2 . 507 . . 61 ASN HB3 . 18711 1
607 . 1 1 61 61 ASN HD21 H 1 7.537 0.042 . 1 . 509 . . 61 ASN HD21 . 18711 1
608 . 1 1 61 61 ASN HD22 H 1 6.768 0.003 . 1 . 510 . . 61 ASN HD22 . 18711 1
609 . 1 1 61 61 ASN CA C 13 52.973 0.095 . 1 . 503 . . 61 ASN CA . 18711 1
610 . 1 1 61 61 ASN CB C 13 37.540 0.046 . 1 . 505 . . 61 ASN CB . 18711 1
611 . 1 1 61 61 ASN ND2 N 15 110.915 0.186 . 1 . 508 . . 61 ASN ND2 . 18711 1
612 . 1 1 62 62 GLY H H 1 8.372 0.005 . 1 . 512 . . 62 GLY H . 18711 1
613 . 1 1 62 62 GLY HA2 H 1 4.093 0.020 . 2 . 514 . . 62 GLY HA2 . 18711 1
614 . 1 1 62 62 GLY HA3 H 1 3.756 0.020 . 2 . 515 . . 62 GLY HA3 . 18711 1
615 . 1 1 62 62 GLY CA C 13 45.782 0.053 . 1 . 513 . . 62 GLY CA . 18711 1
616 . 1 1 62 62 GLY N N 15 107.796 0.069 . 1 . 511 . . 62 GLY N . 18711 1
617 . 1 1 63 63 THR H H 1 7.303 0.020 . 1 . 517 . . 63 THR H . 18711 1
618 . 1 1 63 63 THR HA H 1 4.713 0.003 . 1 . 519 . . 63 THR HA . 18711 1
619 . 1 1 63 63 THR HB H 1 4.053 0.020 . 1 . 521 . . 63 THR HB . 18711 1
620 . 1 1 63 63 THR HG21 H 1 0.916 0.020 . 1 . 522 . . 63 THR HG21 . 18711 1
621 . 1 1 63 63 THR HG22 H 1 0.916 0.020 . 1 . 522 . . 63 THR HG22 . 18711 1
622 . 1 1 63 63 THR HG23 H 1 0.916 0.020 . 1 . 522 . . 63 THR HG23 . 18711 1
623 . 1 1 63 63 THR CA C 13 60.677 0.200 . 1 . 518 . . 63 THR CA . 18711 1
624 . 1 1 63 63 THR CB C 13 72.656 0.055 . 1 . 520 . . 63 THR CB . 18711 1
625 . 1 1 63 63 THR CG2 C 13 21.255 0.041 . 1 . 523 . . 63 THR CG2 . 18711 1
626 . 1 1 63 63 THR N N 15 109.076 0.112 . 1 . 516 . . 63 THR N . 18711 1
627 . 1 1 64 64 PHE H H 1 9.125 0.007 . 1 . 525 . . 64 PHE H . 18711 1
628 . 1 1 64 64 PHE HA H 1 5.333 0.020 . 1 . 527 . . 64 PHE HA . 18711 1
629 . 1 1 64 64 PHE CA C 13 57.329 0.200 . 1 . 526 . . 64 PHE CA . 18711 1
630 . 1 1 64 64 PHE CB C 13 42.746 0.200 . 1 . 528 . . 64 PHE CB . 18711 1
631 . 1 1 64 64 PHE N N 15 116.521 0.038 . 1 . 524 . . 64 PHE N . 18711 1
632 . 1 1 65 65 SER HA H 1 5.694 0.020 . 1 . 530 . . 65 SER HA . 18711 1
633 . 1 1 65 65 SER HB2 H 1 3.742 0.009 . 1 . 532 . . 65 SER HB2 . 18711 1
634 . 1 1 65 65 SER HB3 H 1 3.742 0.009 . 1 . 914 . . 65 SER HB3 . 18711 1
635 . 1 1 65 65 SER CA C 13 57.127 0.001 . 1 . 529 . . 65 SER CA . 18711 1
636 . 1 1 65 65 SER CB C 13 66.921 0.143 . 1 . 531 . . 65 SER CB . 18711 1
637 . 1 1 66 66 ALA H H 1 9.532 0.020 . 1 . 534 . . 66 ALA H . 18711 1
638 . 1 1 66 66 ALA HA H 1 5.393 0.020 . 1 . 536 . . 66 ALA HA . 18711 1
639 . 1 1 66 66 ALA HB1 H 1 1.150 0.020 . 1 . 537 . . 66 ALA HB1 . 18711 1
640 . 1 1 66 66 ALA HB2 H 1 1.150 0.020 . 1 . 537 . . 66 ALA HB2 . 18711 1
641 . 1 1 66 66 ALA HB3 H 1 1.150 0.020 . 1 . 537 . . 66 ALA HB3 . 18711 1
642 . 1 1 66 66 ALA CA C 13 51.008 0.019 . 1 . 535 . . 66 ALA CA . 18711 1
643 . 1 1 66 66 ALA CB C 13 25.273 0.066 . 1 . 538 . . 66 ALA CB . 18711 1
644 . 1 1 66 66 ALA N N 15 123.900 0.200 . 1 . 533 . . 66 ALA N . 18711 1
645 . 1 1 67 67 LYS H H 1 8.790 0.020 . 1 . 540 . . 67 LYS H . 18711 1
646 . 1 1 67 67 LYS HA H 1 5.495 0.020 . 1 . 542 . . 67 LYS HA . 18711 1
647 . 1 1 67 67 LYS HB2 H 1 1.607 0.020 . 1 . 544 . . 67 LYS HB2 . 18711 1
648 . 1 1 67 67 LYS HB3 H 1 1.607 0.020 . 1 . 915 . . 67 LYS HB3 . 18711 1
649 . 1 1 67 67 LYS HD2 H 1 1.544 0.020 . 1 . 547 . . 67 LYS HD2 . 18711 1
650 . 1 1 67 67 LYS HD3 H 1 1.544 0.020 . 1 . 916 . . 67 LYS HD3 . 18711 1
651 . 1 1 67 67 LYS HE2 H 1 2.821 0.011 . 1 . 549 . . 67 LYS HE2 . 18711 1
652 . 1 1 67 67 LYS HE3 H 1 2.821 0.011 . 1 . 917 . . 67 LYS HE3 . 18711 1
653 . 1 1 67 67 LYS CA C 13 54.271 0.097 . 1 . 541 . . 67 LYS CA . 18711 1
654 . 1 1 67 67 LYS CB C 13 37.040 0.353 . 1 . 543 . . 67 LYS CB . 18711 1
655 . 1 1 67 67 LYS CG C 13 25.541 0.001 . 1 . 545 . . 67 LYS CG . 18711 1
656 . 1 1 67 67 LYS CD C 13 30.181 0.255 . 1 . 546 . . 67 LYS CD . 18711 1
657 . 1 1 67 67 LYS CE C 13 42.429 0.200 . 1 . 548 . . 67 LYS CE . 18711 1
658 . 1 1 67 67 LYS N N 15 117.496 0.042 . 1 . 539 . . 67 LYS N . 18711 1
659 . 1 1 68 68 GLY H H 1 9.510 0.004 . 1 . 551 . . 68 GLY H . 18711 1
660 . 1 1 68 68 GLY HA2 H 1 5.319 0.020 . 2 . 553 . . 68 GLY HA2 . 18711 1
661 . 1 1 68 68 GLY HA3 H 1 3.062 0.020 . 2 . 554 . . 68 GLY HA3 . 18711 1
662 . 1 1 68 68 GLY CA C 13 44.942 0.021 . 1 . 552 . . 68 GLY CA . 18711 1
663 . 1 1 68 68 GLY N N 15 109.116 0.045 . 1 . 550 . . 68 GLY N . 18711 1
664 . 1 1 69 69 VAL H H 1 9.374 0.003 . 1 . 556 . . 69 VAL H . 18711 1
665 . 1 1 69 69 VAL HA H 1 5.464 0.010 . 1 . 558 . . 69 VAL HA . 18711 1
666 . 1 1 69 69 VAL HB H 1 1.894 0.012 . 1 . 560 . . 69 VAL HB . 18711 1
667 . 1 1 69 69 VAL HG11 H 1 0.910 0.010 . 2 . 561 . . 69 VAL HG11 . 18711 1
668 . 1 1 69 69 VAL HG12 H 1 0.910 0.010 . 2 . 561 . . 69 VAL HG12 . 18711 1
669 . 1 1 69 69 VAL HG13 H 1 0.910 0.010 . 2 . 561 . . 69 VAL HG13 . 18711 1
670 . 1 1 69 69 VAL HG21 H 1 0.731 0.003 . 2 . 562 . . 69 VAL HG21 . 18711 1
671 . 1 1 69 69 VAL HG22 H 1 0.731 0.003 . 2 . 562 . . 69 VAL HG22 . 18711 1
672 . 1 1 69 69 VAL HG23 H 1 0.731 0.003 . 2 . 562 . . 69 VAL HG23 . 18711 1
673 . 1 1 69 69 VAL CA C 13 61.154 0.026 . 1 . 557 . . 69 VAL CA . 18711 1
674 . 1 1 69 69 VAL CB C 13 35.303 0.135 . 1 . 559 . . 69 VAL CB . 18711 1
675 . 1 1 69 69 VAL CG1 C 13 21.351 0.054 . 2 . 563 . . 69 VAL CG1 . 18711 1
676 . 1 1 69 69 VAL CG2 C 13 21.113 0.023 . 2 . 564 . . 69 VAL CG2 . 18711 1
677 . 1 1 69 69 VAL N N 15 129.379 0.107 . 1 . 555 . . 69 VAL N . 18711 1
678 . 1 1 70 70 ALA H H 1 8.252 0.020 . 1 . 566 . . 70 ALA H . 18711 1
679 . 1 1 70 70 ALA HA H 1 4.964 0.020 . 1 . 568 . . 70 ALA HA . 18711 1
680 . 1 1 70 70 ALA HB1 H 1 0.864 0.020 . 1 . 569 . . 70 ALA HB1 . 18711 1
681 . 1 1 70 70 ALA HB2 H 1 0.864 0.020 . 1 . 569 . . 70 ALA HB2 . 18711 1
682 . 1 1 70 70 ALA HB3 H 1 0.864 0.020 . 1 . 569 . . 70 ALA HB3 . 18711 1
683 . 1 1 70 70 ALA CA C 13 50.818 0.165 . 1 . 567 . . 70 ALA CA . 18711 1
684 . 1 1 70 70 ALA CB C 13 24.211 0.036 . 1 . 570 . . 70 ALA CB . 18711 1
685 . 1 1 70 70 ALA N N 15 129.794 0.047 . 1 . 565 . . 70 ALA N . 18711 1
686 . 1 1 71 71 SER H H 1 8.902 0.003 . 1 . 572 . . 71 SER H . 18711 1
687 . 1 1 71 71 SER HA H 1 4.944 0.005 . 1 . 574 . . 71 SER HA . 18711 1
688 . 1 1 71 71 SER HB2 H 1 3.598 0.020 . 2 . 576 . . 71 SER HB2 . 18711 1
689 . 1 1 71 71 SER HB3 H 1 3.475 0.020 . 2 . 577 . . 71 SER HB3 . 18711 1
690 . 1 1 71 71 SER CA C 13 57.431 0.200 . 1 . 573 . . 71 SER CA . 18711 1
691 . 1 1 71 71 SER CB C 13 64.764 0.150 . 1 . 575 . . 71 SER CB . 18711 1
692 . 1 1 71 71 SER N N 15 116.453 0.051 . 1 . 571 . . 71 SER N . 18711 1
693 . 1 1 72 72 VAL H H 1 8.481 0.015 . 1 . 579 . . 72 VAL H . 18711 1
694 . 1 1 72 72 VAL HA H 1 4.553 0.001 . 1 . 581 . . 72 VAL HA . 18711 1
695 . 1 1 72 72 VAL HB H 1 2.067 0.012 . 1 . 583 . . 72 VAL HB . 18711 1
696 . 1 1 72 72 VAL HG11 H 1 0.175 0.002 . 2 . 584 . . 72 VAL HG11 . 18711 1
697 . 1 1 72 72 VAL HG12 H 1 0.175 0.002 . 2 . 584 . . 72 VAL HG12 . 18711 1
698 . 1 1 72 72 VAL HG13 H 1 0.175 0.002 . 2 . 584 . . 72 VAL HG13 . 18711 1
699 . 1 1 72 72 VAL HG21 H 1 0.377 0.001 . 2 . 585 . . 72 VAL HG21 . 18711 1
700 . 1 1 72 72 VAL HG22 H 1 0.377 0.001 . 2 . 585 . . 72 VAL HG22 . 18711 1
701 . 1 1 72 72 VAL HG23 H 1 0.377 0.001 . 2 . 585 . . 72 VAL HG23 . 18711 1
702 . 1 1 72 72 VAL CA C 13 58.695 0.121 . 1 . 580 . . 72 VAL CA . 18711 1
703 . 1 1 72 72 VAL CB C 13 35.089 0.029 . 1 . 582 . . 72 VAL CB . 18711 1
704 . 1 1 72 72 VAL CG1 C 13 21.989 0.030 . 2 . 586 . . 72 VAL CG1 . 18711 1
705 . 1 1 72 72 VAL CG2 C 13 18.383 0.015 . 2 . 587 . . 72 VAL CG2 . 18711 1
706 . 1 1 72 72 VAL N N 15 119.115 0.050 . 1 . 578 . . 72 VAL N . 18711 1
707 . 1 1 73 73 SER H H 1 8.992 0.004 . 1 . 589 . . 73 SER H . 18711 1
708 . 1 1 73 73 SER HA H 1 4.545 0.005 . 1 . 591 . . 73 SER HA . 18711 1
709 . 1 1 73 73 SER HB2 H 1 4.321 0.020 . 2 . 593 . . 73 SER HB2 . 18711 1
710 . 1 1 73 73 SER HB3 H 1 4.040 0.009 . 2 . 594 . . 73 SER HB3 . 18711 1
711 . 1 1 73 73 SER CA C 13 57.830 0.013 . 1 . 590 . . 73 SER CA . 18711 1
712 . 1 1 73 73 SER CB C 13 64.416 0.055 . 1 . 592 . . 73 SER CB . 18711 1
713 . 1 1 73 73 SER N N 15 117.348 0.022 . 1 . 588 . . 73 SER N . 18711 1
714 . 1 1 74 74 VAL H H 1 8.500 0.005 . 1 . 596 . . 74 VAL H . 18711 1
715 . 1 1 74 74 VAL HA H 1 3.533 0.006 . 1 . 598 . . 74 VAL HA . 18711 1
716 . 1 1 74 74 VAL HB H 1 1.874 0.006 . 1 . 600 . . 74 VAL HB . 18711 1
717 . 1 1 74 74 VAL HG11 H 1 0.808 0.001 . 2 . 601 . . 74 VAL HG11 . 18711 1
718 . 1 1 74 74 VAL HG12 H 1 0.808 0.001 . 2 . 601 . . 74 VAL HG12 . 18711 1
719 . 1 1 74 74 VAL HG13 H 1 0.808 0.001 . 2 . 601 . . 74 VAL HG13 . 18711 1
720 . 1 1 74 74 VAL HG21 H 1 0.935 0.003 . 2 . 602 . . 74 VAL HG21 . 18711 1
721 . 1 1 74 74 VAL HG22 H 1 0.935 0.003 . 2 . 602 . . 74 VAL HG22 . 18711 1
722 . 1 1 74 74 VAL HG23 H 1 0.935 0.003 . 2 . 602 . . 74 VAL HG23 . 18711 1
723 . 1 1 74 74 VAL CA C 13 66.758 0.068 . 1 . 597 . . 74 VAL CA . 18711 1
724 . 1 1 74 74 VAL CB C 13 31.924 0.093 . 1 . 599 . . 74 VAL CB . 18711 1
725 . 1 1 74 74 VAL CG1 C 13 23.438 0.023 . 2 . 603 . . 74 VAL CG1 . 18711 1
726 . 1 1 74 74 VAL CG2 C 13 22.008 0.180 . 2 . 604 . . 74 VAL CG2 . 18711 1
727 . 1 1 74 74 VAL N N 15 124.724 0.018 . 1 . 595 . . 74 VAL N . 18711 1
728 . 1 1 75 75 GLU H H 1 8.356 0.006 . 1 . 606 . . 75 GLU H . 18711 1
729 . 1 1 75 75 GLU HA H 1 4.066 0.009 . 1 . 608 . . 75 GLU HA . 18711 1
730 . 1 1 75 75 GLU HB2 H 1 2.022 0.020 . 2 . 610 . . 75 GLU HB2 . 18711 1
731 . 1 1 75 75 GLU HB3 H 1 1.938 0.020 . 2 . 611 . . 75 GLU HB3 . 18711 1
732 . 1 1 75 75 GLU HG2 H 1 2.332 0.020 . 2 . 613 . . 75 GLU HG2 . 18711 1
733 . 1 1 75 75 GLU HG3 H 1 2.300 0.020 . 2 . 614 . . 75 GLU HG3 . 18711 1
734 . 1 1 75 75 GLU CA C 13 60.212 0.001 . 1 . 607 . . 75 GLU CA . 18711 1
735 . 1 1 75 75 GLU CB C 13 29.621 0.049 . 1 . 609 . . 75 GLU CB . 18711 1
736 . 1 1 75 75 GLU CG C 13 36.899 0.054 . 1 . 612 . . 75 GLU CG . 18711 1
737 . 1 1 75 75 GLU N N 15 119.480 0.030 . 1 . 605 . . 75 GLU N . 18711 1
738 . 1 1 76 76 ASP H H 1 7.757 0.011 . 1 . 616 . . 76 ASP H . 18711 1
739 . 1 1 76 76 ASP HA H 1 4.421 0.009 . 1 . 618 . . 76 ASP HA . 18711 1
740 . 1 1 76 76 ASP HB2 H 1 3.123 0.019 . 2 . 620 . . 76 ASP HB2 . 18711 1
741 . 1 1 76 76 ASP HB3 H 1 2.646 0.010 . 2 . 621 . . 76 ASP HB3 . 18711 1
742 . 1 1 76 76 ASP CA C 13 57.947 0.164 . 1 . 617 . . 76 ASP CA . 18711 1
743 . 1 1 76 76 ASP CB C 13 40.991 0.048 . 1 . 619 . . 76 ASP CB . 18711 1
744 . 1 1 76 76 ASP N N 15 119.504 0.022 . 1 . 615 . . 76 ASP N . 18711 1
745 . 1 1 77 77 TRP H H 1 8.174 0.020 . 1 . 623 . . 77 TRP H . 18711 1
746 . 1 1 77 77 TRP HA H 1 4.545 0.011 . 1 . 625 . . 77 TRP HA . 18711 1
747 . 1 1 77 77 TRP HB2 H 1 3.317 0.027 . 2 . 627 . . 77 TRP HB2 . 18711 1
748 . 1 1 77 77 TRP HB3 H 1 3.031 0.020 . 2 . 628 . . 77 TRP HB3 . 18711 1
749 . 1 1 77 77 TRP HD1 H 1 7.030 0.009 . 1 . 632 . . 77 TRP HD1 . 18711 1
750 . 1 1 77 77 TRP HE1 H 1 10.474 0.001 . 1 . 636 . . 77 TRP HE1 . 18711 1
751 . 1 1 77 77 TRP HE3 H 1 7.332 0.012 . 1 . 633 . . 77 TRP HE3 . 18711 1
752 . 1 1 77 77 TRP HZ2 H 1 7.537 0.005 . 1 . 639 . . 77 TRP HZ2 . 18711 1
753 . 1 1 77 77 TRP HZ3 H 1 6.804 0.020 . 1 . 637 . . 77 TRP HZ3 . 18711 1
754 . 1 1 77 77 TRP HH2 H 1 6.984 0.002 . 1 . 640 . . 77 TRP HH2 . 18711 1
755 . 1 1 77 77 TRP CA C 13 60.479 0.036 . 1 . 624 . . 77 TRP CA . 18711 1
756 . 1 1 77 77 TRP CB C 13 30.192 0.117 . 1 . 626 . . 77 TRP CB . 18711 1
757 . 1 1 77 77 TRP CD1 C 13 126.718 0.200 . 1 . 629 . . 77 TRP CD1 . 18711 1
758 . 1 1 77 77 TRP CE3 C 13 121.336 0.200 . 1 . 630 . . 77 TRP CE3 . 18711 1
759 . 1 1 77 77 TRP CZ2 C 13 114.344 0.093 . 1 . 635 . . 77 TRP CZ2 . 18711 1
760 . 1 1 77 77 TRP CZ3 C 13 121.015 0.200 . 1 . 634 . . 77 TRP CZ3 . 18711 1
761 . 1 1 77 77 TRP CH2 C 13 123.639 0.200 . 1 . 638 . . 77 TRP CH2 . 18711 1
762 . 1 1 77 77 TRP N N 15 119.753 0.092 . 1 . 622 . . 77 TRP N . 18711 1
763 . 1 1 77 77 TRP NE1 N 15 128.017 0.015 . 1 . 631 . . 77 TRP NE1 . 18711 1
764 . 1 1 78 78 ASN H H 1 9.018 0.015 . 1 . 642 . . 78 ASN H . 18711 1
765 . 1 1 78 78 ASN HA H 1 4.372 0.011 . 1 . 644 . . 78 ASN HA . 18711 1
766 . 1 1 78 78 ASN HB2 H 1 2.955 0.020 . 2 . 646 . . 78 ASN HB2 . 18711 1
767 . 1 1 78 78 ASN HB3 H 1 2.813 0.020 . 2 . 647 . . 78 ASN HB3 . 18711 1
768 . 1 1 78 78 ASN HD21 H 1 7.624 0.020 . 1 . 649 . . 78 ASN HD21 . 18711 1
769 . 1 1 78 78 ASN HD22 H 1 6.756 0.015 . 1 . 650 . . 78 ASN HD22 . 18711 1
770 . 1 1 78 78 ASN CA C 13 55.421 0.109 . 1 . 643 . . 78 ASN CA . 18711 1
771 . 1 1 78 78 ASN CB C 13 38.020 0.173 . 1 . 645 . . 78 ASN CB . 18711 1
772 . 1 1 78 78 ASN N N 15 115.971 0.070 . 1 . 641 . . 78 ASN N . 18711 1
773 . 1 1 78 78 ASN ND2 N 15 111.268 0.055 . 1 . 648 . . 78 ASN ND2 . 18711 1
774 . 1 1 79 79 ASN H H 1 7.949 0.011 . 1 . 652 . . 79 ASN H . 18711 1
775 . 1 1 79 79 ASN HA H 1 4.867 0.001 . 1 . 654 . . 79 ASN HA . 18711 1
776 . 1 1 79 79 ASN HB2 H 1 3.024 0.020 . 2 . 656 . . 79 ASN HB2 . 18711 1
777 . 1 1 79 79 ASN HB3 H 1 2.918 0.020 . 2 . 657 . . 79 ASN HB3 . 18711 1
778 . 1 1 79 79 ASN HD21 H 1 7.759 0.010 . 1 . 659 . . 79 ASN HD21 . 18711 1
779 . 1 1 79 79 ASN HD22 H 1 6.984 0.016 . 1 . 660 . . 79 ASN HD22 . 18711 1
780 . 1 1 79 79 ASN CA C 13 53.444 0.200 . 1 . 653 . . 79 ASN CA . 18711 1
781 . 1 1 79 79 ASN CB C 13 38.370 0.108 . 1 . 655 . . 79 ASN CB . 18711 1
782 . 1 1 79 79 ASN N N 15 118.053 0.090 . 1 . 651 . . 79 ASN N . 18711 1
783 . 1 1 79 79 ASN ND2 N 15 112.554 0.029 . 1 . 658 . . 79 ASN ND2 . 18711 1
784 . 1 1 80 80 ARG H H 1 7.923 0.008 . 1 . 662 . . 80 ARG H . 18711 1
785 . 1 1 80 80 ARG HA H 1 4.133 0.019 . 1 . 664 . . 80 ARG HA . 18711 1
786 . 1 1 80 80 ARG HB2 H 1 1.968 0.008 . 1 . 666 . . 80 ARG HB2 . 18711 1
787 . 1 1 80 80 ARG HB3 H 1 1.968 0.008 . 1 . 918 . . 80 ARG HB3 . 18711 1
788 . 1 1 80 80 ARG HG2 H 1 1.493 0.015 . 2 . 668 . . 80 ARG HG2 . 18711 1
789 . 1 1 80 80 ARG HG3 H 1 1.316 0.015 . 2 . 669 . . 80 ARG HG3 . 18711 1
790 . 1 1 80 80 ARG HD2 H 1 3.096 0.012 . 1 . 671 . . 80 ARG HD2 . 18711 1
791 . 1 1 80 80 ARG HD3 H 1 3.096 0.012 . 1 . 919 . . 80 ARG HD3 . 18711 1
792 . 1 1 80 80 ARG CA C 13 57.783 0.087 . 1 . 663 . . 80 ARG CA . 18711 1
793 . 1 1 80 80 ARG CB C 13 26.255 0.351 . 1 . 665 . . 80 ARG CB . 18711 1
794 . 1 1 80 80 ARG CG C 13 28.625 0.146 . 1 . 667 . . 80 ARG CG . 18711 1
795 . 1 1 80 80 ARG CD C 13 43.635 0.164 . 1 . 670 . . 80 ARG CD . 18711 1
796 . 1 1 80 80 ARG N N 15 113.163 0.038 . 1 . 661 . . 80 ARG N . 18711 1
797 . 1 1 81 81 LYS H H 1 7.291 0.007 . 1 . 673 . . 81 LYS H . 18711 1
798 . 1 1 81 81 LYS HA H 1 4.080 0.029 . 1 . 675 . . 81 LYS HA . 18711 1
799 . 1 1 81 81 LYS HB2 H 1 1.557 0.020 . 1 . 677 . . 81 LYS HB2 . 18711 1
800 . 1 1 81 81 LYS HB3 H 1 1.557 0.020 . 1 . 920 . . 81 LYS HB3 . 18711 1
801 . 1 1 81 81 LYS HG2 H 1 1.402 0.045 . 2 . 679 . . 81 LYS HG2 . 18711 1
802 . 1 1 81 81 LYS HG3 H 1 1.243 0.012 . 2 . 680 . . 81 LYS HG3 . 18711 1
803 . 1 1 81 81 LYS HD2 H 1 1.621 0.020 . 1 . 682 . . 81 LYS HD2 . 18711 1
804 . 1 1 81 81 LYS HD3 H 1 1.621 0.020 . 1 . 921 . . 81 LYS HD3 . 18711 1
805 . 1 1 81 81 LYS HE2 H 1 2.958 0.029 . 1 . 684 . . 81 LYS HE2 . 18711 1
806 . 1 1 81 81 LYS HE3 H 1 2.958 0.029 . 1 . 922 . . 81 LYS HE3 . 18711 1
807 . 1 1 81 81 LYS CA C 13 57.340 0.127 . 1 . 674 . . 81 LYS CA . 18711 1
808 . 1 1 81 81 LYS CB C 13 32.702 0.143 . 1 . 676 . . 81 LYS CB . 18711 1
809 . 1 1 81 81 LYS CG C 13 26.000 0.220 . 1 . 678 . . 81 LYS CG . 18711 1
810 . 1 1 81 81 LYS CD C 13 29.266 0.200 . 1 . 681 . . 81 LYS CD . 18711 1
811 . 1 1 81 81 LYS CE C 13 42.695 0.179 . 1 . 683 . . 81 LYS CE . 18711 1
812 . 1 1 81 81 LYS N N 15 117.411 0.077 . 1 . 672 . . 81 LYS N . 18711 1
813 . 1 1 82 82 GLU H H 1 7.979 0.005 . 1 . 686 . . 82 GLU H . 18711 1
814 . 1 1 82 82 GLU HA H 1 4.844 0.008 . 1 . 688 . . 82 GLU HA . 18711 1
815 . 1 1 82 82 GLU HB2 H 1 1.983 0.020 . 2 . 690 . . 82 GLU HB2 . 18711 1
816 . 1 1 82 82 GLU HB3 H 1 1.851 0.007 . 2 . 691 . . 82 GLU HB3 . 18711 1
817 . 1 1 82 82 GLU HG2 H 1 2.290 0.020 . 2 . 693 . . 82 GLU HG2 . 18711 1
818 . 1 1 82 82 GLU HG3 H 1 2.162 0.011 . 2 . 694 . . 82 GLU HG3 . 18711 1
819 . 1 1 82 82 GLU CA C 13 55.382 0.001 . 1 . 687 . . 82 GLU CA . 18711 1
820 . 1 1 82 82 GLU CB C 13 32.939 0.064 . 1 . 689 . . 82 GLU CB . 18711 1
821 . 1 1 82 82 GLU CG C 13 38.020 0.062 . 1 . 692 . . 82 GLU CG . 18711 1
822 . 1 1 82 82 GLU N N 15 120.399 0.112 . 1 . 685 . . 82 GLU N . 18711 1
823 . 1 1 83 83 PHE H H 1 9.019 0.020 . 1 . 696 . . 83 PHE H . 18711 1
824 . 1 1 83 83 PHE HA H 1 5.117 0.002 . 1 . 698 . . 83 PHE HA . 18711 1
825 . 1 1 83 83 PHE HB2 H 1 3.186 0.020 . 2 . 700 . . 83 PHE HB2 . 18711 1
826 . 1 1 83 83 PHE HB3 H 1 2.805 0.020 . 2 . 701 . . 83 PHE HB3 . 18711 1
827 . 1 1 83 83 PHE CA C 13 57.514 0.121 . 1 . 697 . . 83 PHE CA . 18711 1
828 . 1 1 83 83 PHE CB C 13 44.066 0.200 . 1 . 699 . . 83 PHE CB . 18711 1
829 . 1 1 83 83 PHE N N 15 121.547 0.069 . 1 . 695 . . 83 PHE N . 18711 1
830 . 1 1 84 84 VAL H H 1 9.339 0.004 . 1 . 703 . . 84 VAL H . 18711 1
831 . 1 1 84 84 VAL HA H 1 4.890 0.008 . 1 . 705 . . 84 VAL HA . 18711 1
832 . 1 1 84 84 VAL HB H 1 1.684 0.001 . 1 . 707 . . 84 VAL HB . 18711 1
833 . 1 1 84 84 VAL HG11 H 1 0.510 0.020 . 2 . 708 . . 84 VAL HG11 . 18711 1
834 . 1 1 84 84 VAL HG12 H 1 0.510 0.020 . 2 . 708 . . 84 VAL HG12 . 18711 1
835 . 1 1 84 84 VAL HG13 H 1 0.510 0.020 . 2 . 708 . . 84 VAL HG13 . 18711 1
836 . 1 1 84 84 VAL HG21 H 1 0.444 0.020 . 2 . 709 . . 84 VAL HG21 . 18711 1
837 . 1 1 84 84 VAL HG22 H 1 0.444 0.020 . 2 . 709 . . 84 VAL HG22 . 18711 1
838 . 1 1 84 84 VAL HG23 H 1 0.444 0.020 . 2 . 709 . . 84 VAL HG23 . 18711 1
839 . 1 1 84 84 VAL CA C 13 60.412 0.200 . 1 . 704 . . 84 VAL CA . 18711 1
840 . 1 1 84 84 VAL CB C 13 35.647 0.022 . 1 . 706 . . 84 VAL CB . 18711 1
841 . 1 1 84 84 VAL CG1 C 13 19.887 0.019 . 2 . 710 . . 84 VAL CG1 . 18711 1
842 . 1 1 84 84 VAL CG2 C 13 21.169 0.005 . 2 . 711 . . 84 VAL CG2 . 18711 1
843 . 1 1 84 84 VAL N N 15 118.977 0.020 . 1 . 702 . . 84 VAL N . 18711 1
844 . 1 1 85 85 CYS H H 1 9.182 0.007 . 1 . 713 . . 85 CYS H . 18711 1
845 . 1 1 85 85 CYS HA H 1 4.224 0.008 . 1 . 715 . . 85 CYS HA . 18711 1
846 . 1 1 85 85 CYS HB2 H 1 2.002 0.010 . 2 . 717 . . 85 CYS HB2 . 18711 1
847 . 1 1 85 85 CYS HB3 H 1 0.552 0.006 . 2 . 718 . . 85 CYS HB3 . 18711 1
848 . 1 1 85 85 CYS CA C 13 52.416 0.060 . 1 . 714 . . 85 CYS CA . 18711 1
849 . 1 1 85 85 CYS CB C 13 40.535 0.037 . 1 . 716 . . 85 CYS CB . 18711 1
850 . 1 1 85 85 CYS N N 15 131.702 0.042 . 1 . 712 . . 85 CYS N . 18711 1
851 . 1 1 86 86 THR H H 1 8.838 0.020 . 1 . 720 . . 86 THR H . 18711 1
852 . 1 1 86 86 THR HA H 1 4.981 0.005 . 1 . 722 . . 86 THR HA . 18711 1
853 . 1 1 86 86 THR HB H 1 3.729 0.020 . 1 . 724 . . 86 THR HB . 18711 1
854 . 1 1 86 86 THR HG21 H 1 0.959 0.020 . 1 . 725 . . 86 THR HG21 . 18711 1
855 . 1 1 86 86 THR HG22 H 1 0.959 0.020 . 1 . 725 . . 86 THR HG22 . 18711 1
856 . 1 1 86 86 THR HG23 H 1 0.959 0.020 . 1 . 725 . . 86 THR HG23 . 18711 1
857 . 1 1 86 86 THR CA C 13 62.303 0.200 . 1 . 721 . . 86 THR CA . 18711 1
858 . 1 1 86 86 THR CB C 13 69.891 0.106 . 1 . 723 . . 86 THR CB . 18711 1
859 . 1 1 86 86 THR CG2 C 13 21.672 0.038 . 1 . 726 . . 86 THR CG2 . 18711 1
860 . 1 1 86 86 THR N N 15 123.399 0.165 . 1 . 719 . . 86 THR N . 18711 1
861 . 1 1 87 87 VAL H H 1 9.153 0.001 . 1 . 728 . . 87 VAL H . 18711 1
862 . 1 1 87 87 VAL HA H 1 4.969 0.009 . 1 . 730 . . 87 VAL HA . 18711 1
863 . 1 1 87 87 VAL HB H 1 1.704 0.001 . 1 . 732 . . 87 VAL HB . 18711 1
864 . 1 1 87 87 VAL HG11 H 1 0.791 0.020 . 2 . 733 . . 87 VAL HG11 . 18711 1
865 . 1 1 87 87 VAL HG12 H 1 0.791 0.020 . 2 . 733 . . 87 VAL HG12 . 18711 1
866 . 1 1 87 87 VAL HG13 H 1 0.791 0.020 . 2 . 733 . . 87 VAL HG13 . 18711 1
867 . 1 1 87 87 VAL HG21 H 1 0.745 0.020 . 2 . 734 . . 87 VAL HG21 . 18711 1
868 . 1 1 87 87 VAL HG22 H 1 0.745 0.020 . 2 . 734 . . 87 VAL HG22 . 18711 1
869 . 1 1 87 87 VAL HG23 H 1 0.745 0.020 . 2 . 734 . . 87 VAL HG23 . 18711 1
870 . 1 1 87 87 VAL CA C 13 61.996 0.599 . 1 . 729 . . 87 VAL CA . 18711 1
871 . 1 1 87 87 VAL CB C 13 35.422 0.035 . 1 . 731 . . 87 VAL CB . 18711 1
872 . 1 1 87 87 VAL CG1 C 13 22.751 0.056 . 2 . 735 . . 87 VAL CG1 . 18711 1
873 . 1 1 87 87 VAL CG2 C 13 21.190 0.090 . 2 . 736 . . 87 VAL CG2 . 18711 1
874 . 1 1 87 87 VAL N N 15 130.942 0.002 . 1 . 727 . . 87 VAL N . 18711 1
875 . 1 1 88 88 THR H H 1 8.686 0.001 . 1 . 738 . . 88 THR H . 18711 1
876 . 1 1 88 88 THR HB H 1 4.124 0.020 . 1 . 741 . . 88 THR HB . 18711 1
877 . 1 1 88 88 THR HG21 H 1 1.076 0.020 . 1 . 742 . . 88 THR HG21 . 18711 1
878 . 1 1 88 88 THR HG22 H 1 1.076 0.020 . 1 . 742 . . 88 THR HG22 . 18711 1
879 . 1 1 88 88 THR HG23 H 1 1.076 0.020 . 1 . 742 . . 88 THR HG23 . 18711 1
880 . 1 1 88 88 THR CA C 13 59.950 0.200 . 1 . 739 . . 88 THR CA . 18711 1
881 . 1 1 88 88 THR CB C 13 71.683 0.005 . 1 . 740 . . 88 THR CB . 18711 1
882 . 1 1 88 88 THR CG2 C 13 22.007 0.036 . 1 . 743 . . 88 THR CG2 . 18711 1
883 . 1 1 88 88 THR N N 15 116.699 0.002 . 1 . 737 . . 88 THR N . 18711 1
884 . 1 1 89 89 HIS H H 1 8.091 0.033 . 1 . 745 . . 89 HIS H . 18711 1
885 . 1 1 89 89 HIS HA H 1 4.317 0.008 . 1 . 747 . . 89 HIS HA . 18711 1
886 . 1 1 89 89 HIS HB2 H 1 3.325 0.020 . 2 . 749 . . 89 HIS HB2 . 18711 1
887 . 1 1 89 89 HIS HB3 H 1 2.257 0.006 . 2 . 750 . . 89 HIS HB3 . 18711 1
888 . 1 1 89 89 HIS CA C 13 58.382 0.085 . 1 . 746 . . 89 HIS CA . 18711 1
889 . 1 1 89 89 HIS CB C 13 33.462 0.205 . 1 . 748 . . 89 HIS CB . 18711 1
890 . 1 1 89 89 HIS N N 15 119.554 0.082 . 1 . 744 . . 89 HIS N . 18711 1
891 . 1 1 90 90 ARG HB2 H 1 1.842 0.020 . 2 . 753 . . 90 ARG HB2 . 18711 1
892 . 1 1 90 90 ARG HB3 H 1 1.514 0.009 . 2 . 754 . . 90 ARG HB3 . 18711 1
893 . 1 1 90 90 ARG HG2 H 1 1.507 0.020 . 2 . 756 . . 90 ARG HG2 . 18711 1
894 . 1 1 90 90 ARG HG3 H 1 1.302 0.023 . 2 . 757 . . 90 ARG HG3 . 18711 1
895 . 1 1 90 90 ARG HD2 H 1 3.026 0.001 . 1 . 759 . . 90 ARG HD2 . 18711 1
896 . 1 1 90 90 ARG HD3 H 1 3.026 0.001 . 1 . 923 . . 90 ARG HD3 . 18711 1
897 . 1 1 90 90 ARG CA C 13 59.689 0.200 . 1 . 751 . . 90 ARG CA . 18711 1
898 . 1 1 90 90 ARG CB C 13 29.878 0.112 . 1 . 752 . . 90 ARG CB . 18711 1
899 . 1 1 90 90 ARG CG C 13 25.914 0.200 . 1 . 755 . . 90 ARG CG . 18711 1
900 . 1 1 90 90 ARG CD C 13 43.959 0.115 . 1 . 758 . . 90 ARG CD . 18711 1
901 . 1 1 91 91 ASP H H 1 11.664 0.009 . 1 . 761 . . 91 ASP H . 18711 1
902 . 1 1 91 91 ASP HA H 1 4.750 0.008 . 1 . 763 . . 91 ASP HA . 18711 1
903 . 1 1 91 91 ASP HB2 H 1 2.944 0.020 . 2 . 765 . . 91 ASP HB2 . 18711 1
904 . 1 1 91 91 ASP HB3 H 1 2.829 0.020 . 2 . 766 . . 91 ASP HB3 . 18711 1
905 . 1 1 91 91 ASP CA C 13 55.570 0.200 . 1 . 762 . . 91 ASP CA . 18711 1
906 . 1 1 91 91 ASP CB C 13 40.542 0.050 . 1 . 764 . . 91 ASP CB . 18711 1
907 . 1 1 91 91 ASP N N 15 122.200 0.083 . 1 . 760 . . 91 ASP N . 18711 1
908 . 1 1 92 92 LEU H H 1 7.987 0.011 . 1 . 768 . . 92 LEU H . 18711 1
909 . 1 1 92 92 LEU HA H 1 4.901 0.022 . 1 . 770 . . 92 LEU HA . 18711 1
910 . 1 1 92 92 LEU HB2 H 1 1.991 0.008 . 2 . 772 . . 92 LEU HB2 . 18711 1
911 . 1 1 92 92 LEU HB3 H 1 1.628 0.020 . 2 . 773 . . 92 LEU HB3 . 18711 1
912 . 1 1 92 92 LEU HG H 1 1.460 0.020 . 1 . 775 . . 92 LEU HG . 18711 1
913 . 1 1 92 92 LEU HD11 H 1 0.956 0.026 . 2 . 776 . . 92 LEU HD11 . 18711 1
914 . 1 1 92 92 LEU HD12 H 1 0.956 0.026 . 2 . 776 . . 92 LEU HD12 . 18711 1
915 . 1 1 92 92 LEU HD13 H 1 0.956 0.026 . 2 . 776 . . 92 LEU HD13 . 18711 1
916 . 1 1 92 92 LEU HD21 H 1 0.766 0.004 . 2 . 777 . . 92 LEU HD21 . 18711 1
917 . 1 1 92 92 LEU HD22 H 1 0.766 0.004 . 2 . 777 . . 92 LEU HD22 . 18711 1
918 . 1 1 92 92 LEU HD23 H 1 0.766 0.004 . 2 . 777 . . 92 LEU HD23 . 18711 1
919 . 1 1 92 92 LEU CA C 13 51.806 0.061 . 1 . 769 . . 92 LEU CA . 18711 1
920 . 1 1 92 92 LEU CB C 13 43.197 0.080 . 1 . 771 . . 92 LEU CB . 18711 1
921 . 1 1 92 92 LEU CG C 13 26.575 0.200 . 1 . 774 . . 92 LEU CG . 18711 1
922 . 1 1 92 92 LEU CD1 C 13 24.570 0.153 . 2 . 778 . . 92 LEU CD1 . 18711 1
923 . 1 1 92 92 LEU CD2 C 13 26.284 0.098 . 2 . 779 . . 92 LEU CD2 . 18711 1
924 . 1 1 92 92 LEU N N 15 122.436 0.053 . 1 . 767 . . 92 LEU N . 18711 1
925 . 1 1 93 93 PRO HA H 1 4.338 0.015 . 1 . 782 . . 93 PRO HA . 18711 1
926 . 1 1 93 93 PRO HB2 H 1 2.354 0.024 . 2 . 784 . . 93 PRO HB2 . 18711 1
927 . 1 1 93 93 PRO HB3 H 1 2.056 0.020 . 2 . 785 . . 93 PRO HB3 . 18711 1
928 . 1 1 93 93 PRO HG2 H 1 2.103 0.020 . 1 . 925 . . 93 PRO HG2 . 18711 1
929 . 1 1 93 93 PRO HG3 H 1 2.103 0.020 . 1 . 787 . . 93 PRO HG3 . 18711 1
930 . 1 1 93 93 PRO HD2 H 1 3.943 0.006 . 1 . 924 . . 93 PRO HD2 . 18711 1
931 . 1 1 93 93 PRO HD3 H 1 3.943 0.006 . 1 . 788 . . 93 PRO HD3 . 18711 1
932 . 1 1 93 93 PRO CA C 13 64.754 0.087 . 1 . 781 . . 93 PRO CA . 18711 1
933 . 1 1 93 93 PRO CB C 13 32.281 0.170 . 1 . 783 . . 93 PRO CB . 18711 1
934 . 1 1 93 93 PRO CG C 13 27.507 0.066 . 1 . 786 . . 93 PRO CG . 18711 1
935 . 1 1 93 93 PRO CD C 13 51.153 0.122 . 1 . 780 . . 93 PRO CD . 18711 1
936 . 1 1 94 94 SER H H 1 7.311 0.009 . 1 . 790 . . 94 SER H . 18711 1
937 . 1 1 94 94 SER HA H 1 4.851 0.001 . 1 . 792 . . 94 SER HA . 18711 1
938 . 1 1 94 94 SER HB2 H 1 3.857 0.020 . 2 . 794 . . 94 SER HB2 . 18711 1
939 . 1 1 94 94 SER HB3 H 1 3.737 0.020 . 2 . 795 . . 94 SER HB3 . 18711 1
940 . 1 1 94 94 SER CA C 13 55.884 0.200 . 1 . 791 . . 94 SER CA . 18711 1
941 . 1 1 94 94 SER CB C 13 64.041 0.079 . 1 . 793 . . 94 SER CB . 18711 1
942 . 1 1 94 94 SER N N 15 110.260 0.055 . 1 . 789 . . 94 SER N . 18711 1
943 . 1 1 95 95 PRO HA H 1 4.603 0.020 . 1 . 798 . . 95 PRO HA . 18711 1
944 . 1 1 95 95 PRO HB2 H 1 2.048 0.020 . 2 . 800 . . 95 PRO HB2 . 18711 1
945 . 1 1 95 95 PRO HB3 H 1 1.553 0.002 . 2 . 801 . . 95 PRO HB3 . 18711 1
946 . 1 1 95 95 PRO HG2 H 1 2.016 0.020 . 2 . 803 . . 95 PRO HG2 . 18711 1
947 . 1 1 95 95 PRO HG3 H 1 1.891 0.006 . 2 . 804 . . 95 PRO HG3 . 18711 1
948 . 1 1 95 95 PRO HD2 H 1 3.583 0.004 . 2 . 805 . . 95 PRO HD2 . 18711 1
949 . 1 1 95 95 PRO HD3 H 1 3.884 0.008 . 2 . 806 . . 95 PRO HD3 . 18711 1
950 . 1 1 95 95 PRO CA C 13 63.666 0.033 . 1 . 797 . . 95 PRO CA . 18711 1
951 . 1 1 95 95 PRO CB C 13 32.640 0.032 . 1 . 799 . . 95 PRO CB . 18711 1
952 . 1 1 95 95 PRO CG C 13 27.962 0.131 . 1 . 802 . . 95 PRO CG . 18711 1
953 . 1 1 95 95 PRO CD C 13 51.073 0.045 . 1 . 796 . . 95 PRO CD . 18711 1
954 . 1 1 96 96 GLN H H 1 8.765 0.014 . 1 . 808 . . 96 GLN H . 18711 1
955 . 1 1 96 96 GLN HA H 1 4.548 0.006 . 1 . 810 . . 96 GLN HA . 18711 1
956 . 1 1 96 96 GLN HB2 H 1 1.862 0.015 . 1 . 926 . . 96 GLN HB2 . 18711 1
957 . 1 1 96 96 GLN HB3 H 1 1.862 0.015 . 1 . 812 . . 96 GLN HB3 . 18711 1
958 . 1 1 96 96 GLN HG2 H 1 2.327 0.015 . 1 . 927 . . 96 GLN HG2 . 18711 1
959 . 1 1 96 96 GLN HG3 H 1 2.327 0.015 . 1 . 814 . . 96 GLN HG3 . 18711 1
960 . 1 1 96 96 GLN HE21 H 1 7.233 0.002 . 1 . 816 . . 96 GLN HE21 . 18711 1
961 . 1 1 96 96 GLN HE22 H 1 6.840 0.004 . 1 . 817 . . 96 GLN HE22 . 18711 1
962 . 1 1 96 96 GLN CA C 13 55.037 0.069 . 1 . 809 . . 96 GLN CA . 18711 1
963 . 1 1 96 96 GLN CB C 13 31.005 0.128 . 1 . 811 . . 96 GLN CB . 18711 1
964 . 1 1 96 96 GLN CG C 13 34.873 0.028 . 1 . 813 . . 96 GLN CG . 18711 1
965 . 1 1 96 96 GLN N N 15 122.867 0.200 . 1 . 807 . . 96 GLN N . 18711 1
966 . 1 1 96 96 GLN NE2 N 15 111.807 0.049 . 1 . 815 . . 96 GLN NE2 . 18711 1
967 . 1 1 97 97 LYS H H 1 8.401 0.006 . 1 . 819 . . 97 LYS H . 18711 1
968 . 1 1 97 97 LYS HA H 1 5.366 0.018 . 1 . 821 . . 97 LYS HA . 18711 1
969 . 1 1 97 97 LYS HB2 H 1 1.565 0.020 . 2 . 823 . . 97 LYS HB2 . 18711 1
970 . 1 1 97 97 LYS HB3 H 1 1.193 0.005 . 2 . 824 . . 97 LYS HB3 . 18711 1
971 . 1 1 97 97 LYS HG2 H 1 1.303 0.020 . 2 . 826 . . 97 LYS HG2 . 18711 1
972 . 1 1 97 97 LYS HG3 H 1 1.153 0.020 . 2 . 827 . . 97 LYS HG3 . 18711 1
973 . 1 1 97 97 LYS HD2 H 1 1.556 0.018 . 2 . 829 . . 97 LYS HD2 . 18711 1
974 . 1 1 97 97 LYS HD3 H 1 1.523 0.009 . 2 . 830 . . 97 LYS HD3 . 18711 1
975 . 1 1 97 97 LYS HE2 H 1 2.855 0.004 . 2 . 832 . . 97 LYS HE2 . 18711 1
976 . 1 1 97 97 LYS HE3 H 1 2.771 0.004 . 2 . 833 . . 97 LYS HE3 . 18711 1
977 . 1 1 97 97 LYS CA C 13 54.970 0.112 . 1 . 820 . . 97 LYS CA . 18711 1
978 . 1 1 97 97 LYS CB C 13 35.574 0.090 . 1 . 822 . . 97 LYS CB . 18711 1
979 . 1 1 97 97 LYS CG C 13 25.510 0.278 . 1 . 825 . . 97 LYS CG . 18711 1
980 . 1 1 97 97 LYS CD C 13 29.862 0.134 . 1 . 828 . . 97 LYS CD . 18711 1
981 . 1 1 97 97 LYS CE C 13 42.518 0.182 . 1 . 831 . . 97 LYS CE . 18711 1
982 . 1 1 97 97 LYS N N 15 123.039 0.119 . 1 . 818 . . 97 LYS N . 18711 1
983 . 1 1 98 98 LYS H H 1 8.718 0.020 . 1 . 835 . . 98 LYS H . 18711 1
984 . 1 1 98 98 LYS HA H 1 4.649 0.015 . 1 . 837 . . 98 LYS HA . 18711 1
985 . 1 1 98 98 LYS HB2 H 1 1.912 0.020 . 2 . 839 . . 98 LYS HB2 . 18711 1
986 . 1 1 98 98 LYS HB3 H 1 1.329 0.020 . 2 . 840 . . 98 LYS HB3 . 18711 1
987 . 1 1 98 98 LYS HG2 H 1 1.261 0.020 . 2 . 842 . . 98 LYS HG2 . 18711 1
988 . 1 1 98 98 LYS HG3 H 1 1.131 0.009 . 2 . 843 . . 98 LYS HG3 . 18711 1
989 . 1 1 98 98 LYS HD2 H 1 1.858 0.006 . 2 . 845 . . 98 LYS HD2 . 18711 1
990 . 1 1 98 98 LYS HD3 H 1 1.659 0.020 . 2 . 846 . . 98 LYS HD3 . 18711 1
991 . 1 1 98 98 LYS HE2 H 1 3.090 0.006 . 1 . 848 . . 98 LYS HE2 . 18711 1
992 . 1 1 98 98 LYS HE3 H 1 3.090 0.006 . 1 . 928 . . 98 LYS HE3 . 18711 1
993 . 1 1 98 98 LYS CA C 13 53.731 0.200 . 1 . 836 . . 98 LYS CA . 18711 1
994 . 1 1 98 98 LYS CB C 13 36.727 0.068 . 1 . 838 . . 98 LYS CB . 18711 1
995 . 1 1 98 98 LYS CG C 13 25.053 0.240 . 1 . 841 . . 98 LYS CG . 18711 1
996 . 1 1 98 98 LYS CD C 13 28.368 0.108 . 1 . 844 . . 98 LYS CD . 18711 1
997 . 1 1 98 98 LYS CE C 13 42.835 0.200 . 1 . 847 . . 98 LYS CE . 18711 1
998 . 1 1 98 98 LYS N N 15 122.327 0.200 . 1 . 834 . . 98 LYS N . 18711 1
999 . 1 1 99 99 PHE H H 1 8.781 0.020 . 1 . 850 . . 99 PHE H . 18711 1
1000 . 1 1 99 99 PHE HA H 1 5.521 0.020 . 1 . 852 . . 99 PHE HA . 18711 1
1001 . 1 1 99 99 PHE HB2 H 1 3.159 0.020 . 2 . 854 . . 99 PHE HB2 . 18711 1
1002 . 1 1 99 99 PHE HB3 H 1 3.028 0.020 . 2 . 855 . . 99 PHE HB3 . 18711 1
1003 . 1 1 99 99 PHE CA C 13 57.287 0.200 . 1 . 851 . . 99 PHE CA . 18711 1
1004 . 1 1 99 99 PHE CB C 13 42.390 0.070 . 1 . 853 . . 99 PHE CB . 18711 1
1005 . 1 1 99 99 PHE N N 15 122.370 0.029 . 1 . 849 . . 99 PHE N . 18711 1
1006 . 1 1 100 100 ILE H H 1 9.530 0.005 . 1 . 857 . . 100 ILE H . 18711 1
1007 . 1 1 100 100 ILE HA H 1 4.981 0.010 . 1 . 859 . . 100 ILE HA . 18711 1
1008 . 1 1 100 100 ILE HB H 1 2.120 0.020 . 1 . 861 . . 100 ILE HB . 18711 1
1009 . 1 1 100 100 ILE HG12 H 1 2.122 0.020 . 2 . 865 . . 100 ILE HG12 . 18711 1
1010 . 1 1 100 100 ILE HG13 H 1 1.591 0.017 . 2 . 866 . . 100 ILE HG13 . 18711 1
1011 . 1 1 100 100 ILE HG21 H 1 1.355 0.003 . 1 . 862 . . 100 ILE HG21 . 18711 1
1012 . 1 1 100 100 ILE HG22 H 1 1.355 0.003 . 1 . 862 . . 100 ILE HG22 . 18711 1
1013 . 1 1 100 100 ILE HG23 H 1 1.355 0.003 . 1 . 862 . . 100 ILE HG23 . 18711 1
1014 . 1 1 100 100 ILE HD11 H 1 1.068 0.014 . 1 . 867 . . 100 ILE HD11 . 18711 1
1015 . 1 1 100 100 ILE HD12 H 1 1.068 0.014 . 1 . 867 . . 100 ILE HD12 . 18711 1
1016 . 1 1 100 100 ILE HD13 H 1 1.068 0.014 . 1 . 867 . . 100 ILE HD13 . 18711 1
1017 . 1 1 100 100 ILE CA C 13 61.475 0.063 . 1 . 858 . . 100 ILE CA . 18711 1
1018 . 1 1 100 100 ILE CB C 13 42.676 0.230 . 1 . 860 . . 100 ILE CB . 18711 1
1019 . 1 1 100 100 ILE CG1 C 13 29.923 0.034 . 1 . 864 . . 100 ILE CG1 . 18711 1
1020 . 1 1 100 100 ILE CG2 C 13 18.322 0.030 . 1 . 863 . . 100 ILE CG2 . 18711 1
1021 . 1 1 100 100 ILE CD1 C 13 14.331 0.031 . 1 . 868 . . 100 ILE CD1 . 18711 1
1022 . 1 1 100 100 ILE N N 15 121.280 0.200 . 1 . 856 . . 100 ILE N . 18711 1
1023 . 1 1 101 101 SER H H 1 7.819 0.020 . 1 . 870 . . 101 SER H . 18711 1
1024 . 1 1 101 101 SER HA H 1 4.464 0.020 . 1 . 872 . . 101 SER HA . 18711 1
1025 . 1 1 101 101 SER HB2 H 1 3.628 0.020 . 1 . 929 . . 101 SER HB2 . 18711 1
1026 . 1 1 101 101 SER HB3 H 1 3.628 0.020 . 1 . 874 . . 101 SER HB3 . 18711 1
1027 . 1 1 101 101 SER CA C 13 57.680 0.063 . 1 . 871 . . 101 SER CA . 18711 1
1028 . 1 1 101 101 SER CB C 13 66.496 0.044 . 1 . 873 . . 101 SER CB . 18711 1
1029 . 1 1 101 101 SER N N 15 117.079 0.145 . 1 . 869 . . 101 SER N . 18711 1
1030 . 1 1 102 102 LYS H H 1 8.597 0.009 . 1 . 876 . . 102 LYS H . 18711 1
1031 . 1 1 102 102 LYS HA H 1 3.447 0.007 . 1 . 878 . . 102 LYS HA . 18711 1
1032 . 1 1 102 102 LYS HB2 H 1 0.159 0.002 . 2 . 880 . . 102 LYS HB2 . 18711 1
1033 . 1 1 102 102 LYS HB3 H 1 0.931 0.014 . 2 . 881 . . 102 LYS HB3 . 18711 1
1034 . 1 1 102 102 LYS HG2 H 1 1.229 0.011 . 1 . 931 . . 102 LYS HG2 . 18711 1
1035 . 1 1 102 102 LYS HG3 H 1 1.229 0.011 . 1 . 883 . . 102 LYS HG3 . 18711 1
1036 . 1 1 102 102 LYS HD2 H 1 1.390 0.053 . 2 . 885 . . 102 LYS HD2 . 18711 1
1037 . 1 1 102 102 LYS HD3 H 1 1.426 0.020 . 2 . 886 . . 102 LYS HD3 . 18711 1
1038 . 1 1 102 102 LYS HE2 H 1 3.013 0.008 . 1 . 930 . . 102 LYS HE2 . 18711 1
1039 . 1 1 102 102 LYS HE3 H 1 3.013 0.008 . 1 . 888 . . 102 LYS HE3 . 18711 1
1040 . 1 1 102 102 LYS CA C 13 59.994 0.068 . 1 . 877 . . 102 LYS CA . 18711 1
1041 . 1 1 102 102 LYS CB C 13 33.133 0.138 . 1 . 879 . . 102 LYS CB . 18711 1
1042 . 1 1 102 102 LYS CG C 13 26.222 0.062 . 1 . 882 . . 102 LYS CG . 18711 1
1043 . 1 1 102 102 LYS CD C 13 30.797 0.161 . 1 . 884 . . 102 LYS CD . 18711 1
1044 . 1 1 102 102 LYS CE C 13 42.913 0.001 . 1 . 887 . . 102 LYS CE . 18711 1
1045 . 1 1 102 102 LYS N N 15 129.425 0.021 . 1 . 875 . . 102 LYS N . 18711 1
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