Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 17777
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 HN(CO)CA . . . 17777 1
2 CBCA(CO)NH . . . 17777 1
3 CBCANH . . . 17777 1
4 HNCO . . . 17777 1
5 CC(CO)NH . . . 17777 1
6 H(CCCO)NH . . . 17777 1
7 15N-NOESY-HSQC . . . 17777 1
8 13C-NOESY . . . 17777 1
9 CLEANEX-PM . . . 17777 1
10 'long-range HNCO' . . . 17777 1
11 HNHA . . . 17777 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 ASN HA H 1 5.053 0.007 . 1 . . . . 3 N HA . 17777 1
2 . 1 1 3 3 ASN HB2 H 1 3.126 0.000 . 2 . . . . 3 N HB2 . 17777 1
3 . 1 1 3 3 ASN HD21 H 1 7.677 0.000 . 2 . . . . 3 N HD21 . 17777 1
4 . 1 1 3 3 ASN HD22 H 1 6.981 0.000 . 2 . . . . 3 N HD22 . 17777 1
5 . 1 1 3 3 ASN CA C 13 50.262 0.000 . 1 . . . . 3 N CA . 17777 1
6 . 1 1 3 3 ASN CB C 13 36.748 0.000 . 1 . . . . 3 N CB . 17777 1
7 . 1 1 3 3 ASN ND2 N 15 113.393 0.044 . 1 . . . . 3 N ND2 . 17777 1
8 . 1 1 4 4 LEU H H 1 8.085 0.004 . 1 . . . . 4 L HN . 17777 1
9 . 1 1 4 4 LEU HA H 1 3.701 0.006 . 1 . . . . 4 L HA . 17777 1
10 . 1 1 4 4 LEU HB2 H 1 1.389 0.000 . 2 . . . . 4 L QB . 17777 1
11 . 1 1 4 4 LEU HB3 H 1 1.389 0.000 . 2 . . . . 4 L QB . 17777 1
12 . 1 1 4 4 LEU HG H 1 1.408 0.009 . 1 . . . . 4 L HG . 17777 1
13 . 1 1 4 4 LEU HD11 H 1 0.667 0.003 . . . . . . 4 L QD1 . 17777 1
14 . 1 1 4 4 LEU HD12 H 1 0.667 0.003 . . . . . . 4 L QD1 . 17777 1
15 . 1 1 4 4 LEU HD13 H 1 0.667 0.003 . . . . . . 4 L QD1 . 17777 1
16 . 1 1 4 4 LEU HD21 H 1 0.497 0.013 . . . . . . 4 L QD2 . 17777 1
17 . 1 1 4 4 LEU HD22 H 1 0.497 0.013 . . . . . . 4 L QD2 . 17777 1
18 . 1 1 4 4 LEU HD23 H 1 0.497 0.013 . . . . . . 4 L QD2 . 17777 1
19 . 1 1 4 4 LEU CA C 13 53.322 0.033 . 1 . . . . 4 L CA . 17777 1
20 . 1 1 4 4 LEU CD2 C 13 22.008 0.016 . 2 . . . . 4 L CD2 . 17777 1
21 . 1 1 4 4 LEU N N 15 123.725 0.000 . 1 . . . . 4 L N . 17777 1
22 . 1 1 5 5 ALA H H 1 8.586 0.001 . 1 . . . . 5 A HN . 17777 1
23 . 1 1 5 5 ALA HA H 1 4.143 0.003 . 1 . . . . 5 A HA . 17777 1
24 . 1 1 5 5 ALA HB1 H 1 0.448 0.007 . . . . . . 5 A QB . 17777 1
25 . 1 1 5 5 ALA HB2 H 1 0.448 0.007 . . . . . . 5 A QB . 17777 1
26 . 1 1 5 5 ALA HB3 H 1 0.448 0.007 . . . . . . 5 A QB . 17777 1
27 . 1 1 5 5 ALA CA C 13 46.141 0.056 . 1 . . . . 5 A CA . 17777 1
28 . 1 1 5 5 ALA CB C 13 15.938 0.135 . 1 . . . . 5 A CB . 17777 1
29 . 1 1 5 5 ALA N N 15 127.445 0.029 . 1 . . . . 5 A N . 17777 1
30 . 1 1 6 6 PRO HA H 1 4.528 0.007 . 1 . . . . 6 P HA . 17777 1
31 . 1 1 6 6 PRO HD2 H 1 3.082 0.002 . 2 . . . . 6 P HD2 . 17777 1
32 . 1 1 6 6 PRO HD3 H 1 3.575 0.003 . 2 . . . . 6 P HD3 . 17777 1
33 . 1 1 6 6 PRO CA C 13 60.348 0.000 . 1 . . . . 6 P CA . 17777 1
34 . 1 1 6 6 PRO CD C 13 47.726 0.041 . 1 . . . . 6 P CD . 17777 1
35 . 1 1 7 7 PHE H H 1 7.843 0.009 . 1 . . . . 7 F HN . 17777 1
36 . 1 1 7 7 PHE HA H 1 5.463 0.012 . 1 . . . . 7 F HA . 17777 1
37 . 1 1 7 7 PHE HB2 H 1 2.863 0.009 . 2 . . . . 7 F HB2 . 17777 1
38 . 1 1 7 7 PHE HB3 H 1 1.986 0.010 . 2 . . . . 7 F HB3 . 17777 1
39 . 1 1 7 7 PHE HD1 H 1 6.689 0.020 . . . . . . 7 F QD . 17777 1
40 . 1 1 7 7 PHE HD2 H 1 6.689 0.020 . . . . . . 7 F QD . 17777 1
41 . 1 1 7 7 PHE HE1 H 1 6.689 0.020 . . . . . . 7 F QE . 17777 1
42 . 1 1 7 7 PHE HE2 H 1 6.689 0.020 . . . . . . 7 F QE . 17777 1
43 . 1 1 7 7 PHE CA C 13 53.413 0.041 . 1 . . . . 7 F CA . 17777 1
44 . 1 1 7 7 PHE CB C 13 43.192 0.041 . 1 . . . . 7 F CB . 17777 1
45 . 1 1 7 7 PHE N N 15 117.027 0.009 . 1 . . . . 7 F N . 17777 1
46 . 1 1 8 8 ARG H H 1 8.935 0.001 . 1 . . . . 8 R HN . 17777 1
47 . 1 1 8 8 ARG HA H 1 4.659 0.017 . 1 . . . . 8 R HA . 17777 1
48 . 1 1 8 8 ARG CA C 13 52.104 0.000 . 1 . . . . 8 R CA . 17777 1
49 . 1 1 8 8 ARG N N 15 119.699 0.042 . 1 . . . . 8 R N . 17777 1
50 . 1 1 9 9 LEU H H 1 8.858 0.006 . 1 . . . . 9 L HN . 17777 1
51 . 1 1 9 9 LEU HA H 1 5.188 0.019 . 1 . . . . 9 L HA . 17777 1
52 . 1 1 9 9 LEU HB2 H 1 2.064 0.001 . 2 . . . . 9 L HB2 . 17777 1
53 . 1 1 9 9 LEU HB3 H 1 1.269 0.002 . 2 . . . . 9 L HB3 . 17777 1
54 . 1 1 9 9 LEU HD11 H 1 0.887 0.000 . . . . . . 9 L QD1 . 17777 1
55 . 1 1 9 9 LEU HD12 H 1 0.887 0.000 . . . . . . 9 L QD1 . 17777 1
56 . 1 1 9 9 LEU HD13 H 1 0.887 0.000 . . . . . . 9 L QD1 . 17777 1
57 . 1 1 9 9 LEU HD21 H 1 1.066 0.012 . . . . . . 9 L QD2 . 17777 1
58 . 1 1 9 9 LEU HD22 H 1 1.066 0.012 . . . . . . 9 L QD2 . 17777 1
59 . 1 1 9 9 LEU HD23 H 1 1.066 0.012 . . . . . . 9 L QD2 . 17777 1
60 . 1 1 9 9 LEU CA C 13 50.452 0.078 . 1 . . . . 9 L CA . 17777 1
61 . 1 1 9 9 LEU CB C 13 43.512 0.068 . 1 . . . . 9 L CB . 17777 1
62 . 1 1 9 9 LEU CD1 C 13 24.798 0.127 . 2 . . . . 9 L CD1 . 17777 1
63 . 1 1 9 9 LEU CD2 C 13 20.799 0.049 . 2 . . . . 9 L CD2 . 17777 1
64 . 1 1 9 9 LEU N N 15 122.094 0.035 . 1 . . . . 9 L N . 17777 1
65 . 1 1 10 10 LEU H H 1 9.508 0.014 . 1 . . . . 10 L HN . 17777 1
66 . 1 1 10 10 LEU HA H 1 5.146 0.010 . 1 . . . . 10 L HA . 17777 1
67 . 1 1 10 10 LEU HB2 H 1 1.881 0.004 . 2 . . . . 10 L HB2 . 17777 1
68 . 1 1 10 10 LEU HB3 H 1 1.491 0.009 . 2 . . . . 10 L HB3 . 17777 1
69 . 1 1 10 10 LEU HD11 H 1 0.762 0.018 . . . . . . 10 L QD1 . 17777 1
70 . 1 1 10 10 LEU HD12 H 1 0.762 0.018 . . . . . . 10 L QD1 . 17777 1
71 . 1 1 10 10 LEU HD13 H 1 0.762 0.018 . . . . . . 10 L QD1 . 17777 1
72 . 1 1 10 10 LEU HD21 H 1 0.726 0.036 . . . . . . 10 L QD2 . 17777 1
73 . 1 1 10 10 LEU HD22 H 1 0.726 0.036 . . . . . . 10 L QD2 . 17777 1
74 . 1 1 10 10 LEU HD23 H 1 0.726 0.036 . . . . . . 10 L QD2 . 17777 1
75 . 1 1 10 10 LEU CA C 13 51.775 0.000 . 1 . . . . 10 L CA . 17777 1
76 . 1 1 10 10 LEU CB C 13 41.123 0.049 . 1 . . . . 10 L CB . 17777 1
77 . 1 1 10 10 LEU CD1 C 13 22.606 0.000 . 2 . . . . 10 L CD1 . 17777 1
78 . 1 1 10 10 LEU N N 15 130.118 0.005 . 1 . . . . 10 L N . 17777 1
79 . 1 1 11 11 VAL H H 1 8.953 0.015 . 1 . . . . 11 V HN . 17777 1
80 . 1 1 11 11 VAL HA H 1 4.456 0.002 . 1 . . . . 11 V HA . 17777 1
81 . 1 1 11 11 VAL HB H 1 2.089 0.000 . 1 . . . . 11 V HB . 17777 1
82 . 1 1 11 11 VAL HG11 H 1 0.573 0.012 . . . . . . 11 V QG1 . 17777 1
83 . 1 1 11 11 VAL HG12 H 1 0.573 0.012 . . . . . . 11 V QG1 . 17777 1
84 . 1 1 11 11 VAL HG13 H 1 0.573 0.012 . . . . . . 11 V QG1 . 17777 1
85 . 1 1 11 11 VAL HG21 H 1 0.903 0.129 . . . . . . 11 V QG2 . 17777 1
86 . 1 1 11 11 VAL HG22 H 1 0.903 0.129 . . . . . . 11 V QG2 . 17777 1
87 . 1 1 11 11 VAL HG23 H 1 0.903 0.129 . . . . . . 11 V QG2 . 17777 1
88 . 1 1 11 11 VAL CA C 13 58.528 0.118 . 1 . . . . 11 V CA . 17777 1
89 . 1 1 11 11 VAL CB C 13 31.364 0.000 . 1 . . . . 11 V CB . 17777 1
90 . 1 1 11 11 VAL CG1 C 13 18.713 0.027 . 2 . . . . 11 V CG1 . 17777 1
91 . 1 1 11 11 VAL CG2 C 13 18.564 0.108 . 2 . . . . 11 V CG2 . 17777 1
92 . 1 1 11 11 VAL N N 15 126.440 0.022 . 1 . . . . 11 V N . 17777 1
93 . 1 1 12 12 LYS H H 1 8.813 0.005 . 1 . . . . 12 K HN . 17777 1
94 . 1 1 12 12 LYS HA H 1 4.786 0.002 . 1 . . . . 12 K HA . 17777 1
95 . 1 1 12 12 LYS HB2 H 1 1.725 0.019 . 2 . . . . 12 K HB2 . 17777 1
96 . 1 1 12 12 LYS HB3 H 1 1.488 0.012 . 2 . . . . 12 K HB3 . 17777 1
97 . 1 1 12 12 LYS HG2 H 1 1.220 0.005 . 2 . . . . 12 K HG2 . 17777 1
98 . 1 1 12 12 LYS HG3 H 1 1.155 0.008 . 2 . . . . 12 K HG3 . 17777 1
99 . 1 1 12 12 LYS CA C 13 52.444 0.033 . 1 . . . . 12 K CA . 17777 1
100 . 1 1 12 12 LYS CB C 13 31.606 0.127 . 1 . . . . 12 K CB . 17777 1
101 . 1 1 12 12 LYS CG C 13 21.725 0.098 . 1 . . . . 12 K CG . 17777 1
102 . 1 1 12 12 LYS N N 15 127.565 0.036 . 1 . . . . 12 K N . 17777 1
103 . 1 1 13 13 LEU H H 1 8.520 0.003 . 1 . . . . 13 L HN . 17777 1
104 . 1 1 13 13 LEU HA H 1 4.475 0.011 . 1 . . . . 13 L HA . 17777 1
105 . 1 1 13 13 LEU HB2 H 1 1.878 0.000 . 2 . . . . 13 L HB2 . 17777 1
106 . 1 1 13 13 LEU HB3 H 1 1.656 0.000 . 2 . . . . 13 L HB3 . 17777 1
107 . 1 1 13 13 LEU HG H 1 1.661 0.010 . 1 . . . . 13 L HG . 17777 1
108 . 1 1 13 13 LEU HD11 H 1 0.862 0.005 . . . . . . 13 L QD1 . 17777 1
109 . 1 1 13 13 LEU HD12 H 1 0.862 0.005 . . . . . . 13 L QD1 . 17777 1
110 . 1 1 13 13 LEU HD13 H 1 0.862 0.005 . . . . . . 13 L QD1 . 17777 1
111 . 1 1 13 13 LEU HD21 H 1 0.713 0.156 . . . . . . 13 L QD2 . 17777 1
112 . 1 1 13 13 LEU HD22 H 1 0.713 0.156 . . . . . . 13 L QD2 . 17777 1
113 . 1 1 13 13 LEU HD23 H 1 0.713 0.156 . . . . . . 13 L QD2 . 17777 1
114 . 1 1 13 13 LEU CA C 13 52.032 0.058 . 1 . . . . 13 L CA . 17777 1
115 . 1 1 13 13 LEU CD1 C 13 22.702 0.069 . 2 . . . . 13 L CD1 . 17777 1
116 . 1 1 13 13 LEU CD2 C 13 20.912 0.019 . 2 . . . . 13 L CD2 . 17777 1
117 . 1 1 13 13 LEU N N 15 125.999 0.017 . 1 . . . . 13 L N . 17777 1
118 . 1 1 14 14 THR H H 1 8.303 0.001 . 1 . . . . 14 T HN . 17777 1
119 . 1 1 14 14 THR HA H 1 4.026 0.000 . 1 . . . . 14 T HA . 17777 1
120 . 1 1 14 14 THR HG21 H 1 1.173 0.004 . . . . . . 14 T QG2 . 17777 1
121 . 1 1 14 14 THR HG22 H 1 1.173 0.004 . . . . . . 14 T QG2 . 17777 1
122 . 1 1 14 14 THR HG23 H 1 1.173 0.004 . . . . . . 14 T QG2 . 17777 1
123 . 1 1 14 14 THR N N 15 113.139 0.009 . 1 . . . . 14 T N . 17777 1
124 . 1 1 15 15 ASN H H 1 7.933 0.010 . 1 . . . . 15 N HN . 17777 1
125 . 1 1 15 15 ASN HB2 H 1 2.966 0.000 . 2 . . . . 15 N HB2 . 17777 1
126 . 1 1 15 15 ASN HB3 H 1 2.760 0.004 . 2 . . . . 15 N HB3 . 17777 1
127 . 1 1 15 15 ASN N N 15 117.465 0.023 . 1 . . . . 15 N N . 17777 1
128 . 1 1 16 16 GLY H H 1 7.976 0.003 . 1 . . . . 16 G HN . 17777 1
129 . 1 1 16 16 GLY HA2 H 1 4.029 0.000 . . . . . . 16 G HA1 . 17777 1
130 . 1 1 16 16 GLY HA3 H 1 3.709 0.000 . 2 . . . . 16 G HA2 . 17777 1
131 . 1 1 16 16 GLY N N 15 107.606 0.013 . 1 . . . . 16 G N . 17777 1
132 . 1 1 17 17 VAL H H 1 7.710 0.007 . 1 . . . . 17 V HN . 17777 1
133 . 1 1 17 17 VAL HA H 1 3.886 0.000 . 1 . . . . 17 V HA . 17777 1
134 . 1 1 17 17 VAL HB H 1 2.048 0.000 . 1 . . . . 17 V HB . 17777 1
135 . 1 1 17 17 VAL HG11 H 1 0.848 0.000 . . . . . . 17 V QG1 . 17777 1
136 . 1 1 17 17 VAL HG12 H 1 0.848 0.000 . . . . . . 17 V QG1 . 17777 1
137 . 1 1 17 17 VAL HG13 H 1 0.848 0.000 . . . . . . 17 V QG1 . 17777 1
138 . 1 1 17 17 VAL HG21 H 1 0.848 0.000 . . . . . . 17 V QG2 . 17777 1
139 . 1 1 17 17 VAL HG22 H 1 0.848 0.000 . . . . . . 17 V QG2 . 17777 1
140 . 1 1 17 17 VAL HG23 H 1 0.848 0.000 . . . . . . 17 V QG2 . 17777 1
141 . 1 1 17 17 VAL N N 15 120.962 0.012 . 1 . . . . 17 V N . 17777 1
142 . 1 1 18 18 GLY H H 1 8.208 0.000 . 1 . . . . 18 G HN . 17777 1
143 . 1 1 18 18 GLY HA2 H 1 4.748 0.002 . . . . . . 18 G HA1 . 17777 1
144 . 1 1 18 18 GLY HA3 H 1 3.742 0.015 . 2 . . . . 18 G HA2 . 17777 1
145 . 1 1 18 18 GLY CA C 13 41.987 0.033 . 1 . . . . 18 G CA . 17777 1
146 . 1 1 18 18 GLY N N 15 112.514 0.003 . 1 . . . . 18 G N . 17777 1
147 . 1 1 19 19 ASP H H 1 8.463 0.002 . 1 . . . . 19 D HN . 17777 1
148 . 1 1 19 19 ASP HA H 1 4.754 0.000 . 1 . . . . 19 D HA . 17777 1
149 . 1 1 19 19 ASP HB2 H 1 2.415 0.001 . 2 . . . . 19 D HB2 . 17777 1
150 . 1 1 19 19 ASP HB3 H 1 2.302 0.000 . 2 . . . . 19 D HB3 . 17777 1
151 . 1 1 19 19 ASP CB C 13 42.181 0.161 . 1 . . . . 19 D CB . 17777 1
152 . 1 1 19 19 ASP N N 15 121.529 0.000 . 1 . . . . 19 D N . 17777 1
153 . 1 1 20 20 GLU H H 1 8.366 0.000 . 1 . . . . 20 E HN . 17777 1
154 . 1 1 20 20 GLU HA H 1 5.460 0.012 . 1 . . . . 20 E HA . 17777 1
155 . 1 1 20 20 GLU HB2 H 1 1.747 0.000 . 2 . . . . 20 E QB . 17777 1
156 . 1 1 20 20 GLU HB3 H 1 1.747 0.000 . 2 . . . . 20 E QB . 17777 1
157 . 1 1 20 20 GLU HG2 H 1 2.008 0.002 . 2 . . . . 20 E HG2 . 17777 1
158 . 1 1 20 20 GLU CA C 13 51.865 0.006 . 1 . . . . 20 E CA . 17777 1
159 . 1 1 20 20 GLU CB C 13 30.773 0.000 . 1 . . . . 20 E CB . 17777 1
160 . 1 1 20 20 GLU CG C 13 34.858 0.048 . 1 . . . . 20 E CG . 17777 1
161 . 1 1 20 20 GLU N N 15 121.159 0.000 . 1 . . . . 20 E N . 17777 1
162 . 1 1 21 21 PHE H H 1 9.133 0.008 . 1 . . . . 21 F HN . 17777 1
163 . 1 1 21 21 PHE HA H 1 5.021 0.005 . 1 . . . . 21 F HA . 17777 1
164 . 1 1 21 21 PHE HB2 H 1 2.593 0.011 . 2 . . . . 21 F HB2 . 17777 1
165 . 1 1 21 21 PHE HB3 H 1 3.300 0.014 . 2 . . . . 21 F HB3 . 17777 1
166 . 1 1 21 21 PHE HD1 H 1 7.269 0.025 . . . . . . 21 F QD . 17777 1
167 . 1 1 21 21 PHE HD2 H 1 7.269 0.025 . . . . . . 21 F QD . 17777 1
168 . 1 1 21 21 PHE HE1 H 1 7.269 0.025 . . . . . . 21 F QE . 17777 1
169 . 1 1 21 21 PHE HE2 H 1 7.269 0.025 . . . . . . 21 F QE . 17777 1
170 . 1 1 21 21 PHE CA C 13 53.016 0.000 . 1 . . . . 21 F CA . 17777 1
171 . 1 1 21 21 PHE CB C 13 39.781 0.166 . 1 . . . . 21 F CB . 17777 1
172 . 1 1 21 21 PHE CG C 13 129.64 0.000 . 1 . . . . 21 F CG . 17777 1
173 . 1 1 21 21 PHE N N 15 122.105 0.032 . 1 . . . . 21 F N . 17777 1
174 . 1 1 22 22 PRO HG2 H 1 2.245 0.002 . 2 . . . . 22 P HG2 . 17777 1
175 . 1 1 22 22 PRO HG3 H 1 2.142 0.005 . 2 . . . . 22 P HG3 . 17777 1
176 . 1 1 22 22 PRO HD2 H 1 3.874 0.005 . 2 . . . . 22 P HD2 . 17777 1
177 . 1 1 22 22 PRO HD3 H 1 4.087 0.006 . 2 . . . . 22 P HD3 . 17777 1
178 . 1 1 22 22 PRO CG C 13 24.206 0.058 . 1 . . . . 22 P CG . 17777 1
179 . 1 1 22 22 PRO CD C 13 48.339 0.056 . 1 . . . . 22 P CD . 17777 1
180 . 1 1 23 23 LEU H H 1 8.098 0.000 . 1 . . . . 23 L HN . 17777 1
181 . 1 1 23 23 LEU HA H 1 4.487 0.000 . 1 . . . . 23 L HA . 17777 1
182 . 1 1 23 23 LEU HB2 H 1 0.932 0.022 . 2 . . . . 23 L HB2 . 17777 1
183 . 1 1 23 23 LEU HB3 H 1 1.421 0.021 . 2 . . . . 23 L HB3 . 17777 1
184 . 1 1 23 23 LEU HG H 1 0.438 0.011 . 1 . . . . 23 L HG . 17777 1
185 . 1 1 23 23 LEU HD11 H 1 0.699 0.024 . . . . . . 23 L QQD . 17777 1
186 . 1 1 23 23 LEU HD12 H 1 0.699 0.024 . . . . . . 23 L QQD . 17777 1
187 . 1 1 23 23 LEU HD13 H 1 0.699 0.024 . . . . . . 23 L QQD . 17777 1
188 . 1 1 23 23 LEU HD21 H 1 0.699 0.024 . . . . . . 23 L QQD . 17777 1
189 . 1 1 23 23 LEU HD22 H 1 0.699 0.024 . . . . . . 23 L QQD . 17777 1
190 . 1 1 23 23 LEU HD23 H 1 0.699 0.024 . . . . . . 23 L QQD . 17777 1
191 . 1 1 23 23 LEU CA C 13 50.527 0.000 . 1 . . . . 23 L CA . 17777 1
192 . 1 1 23 23 LEU CD1 C 13 21.419 0.006 . 2 . . . . 23 L CD1 . 17777 1
193 . 1 1 23 23 LEU N N 15 116.156 0.000 . 1 . . . . 23 L N . 17777 1
194 . 1 1 24 24 TYR H H 1 8.486 0.021 . 1 . . . . 24 Y HN . 17777 1
195 . 1 1 24 24 TYR HA H 1 4.710 0.021 . 1 . . . . 24 Y HA . 17777 1
196 . 1 1 24 24 TYR HB2 H 1 2.276 0.028 . 2 . . . . 24 Y HB2 . 17777 1
197 . 1 1 24 24 TYR HB3 H 1 3.015 0.008 . 2 . . . . 24 Y HB3 . 17777 1
198 . 1 1 24 24 TYR HD1 H 1 6.854 0.002 . 3 . . . . 24 Y QD . 17777 1
199 . 1 1 24 24 TYR HD2 H 1 6.854 0.002 . 3 . . . . 24 Y QD . 17777 1
200 . 1 1 24 24 TYR HE1 H 1 6.603 0.002 . 3 . . . . 24 Y QE . 17777 1
201 . 1 1 24 24 TYR HE2 H 1 6.603 0.002 . 3 . . . . 24 Y QE . 17777 1
202 . 1 1 24 24 TYR CA C 13 54.213 0.047 . 1 . . . . 24 Y CA . 17777 1
203 . 1 1 24 24 TYR CE1 C 13 115.13 0.067 . 3 . . . . 24 Y CE1 . 17777 1
204 . 1 1 24 24 TYR N N 15 119.090 0.032 . 1 . . . . 24 Y N . 17777 1
205 . 1 1 25 25 TYR H H 1 8.321 0.003 . 1 . . . . 25 Y HN . 17777 1
206 . 1 1 25 25 TYR HA H 1 4.122 0.007 . 1 . . . . 25 Y HA . 17777 1
207 . 1 1 25 25 TYR HB2 H 1 2.938 0.001 . 2 . . . . 25 Y HB2 . 17777 1
208 . 1 1 25 25 TYR HB3 H 1 2.790 0.009 . 2 . . . . 25 Y HB3 . 17777 1
209 . 1 1 25 25 TYR HD1 H 1 6.858 0.014 . 3 . . . . 25 Y QD . 17777 1
210 . 1 1 25 25 TYR HD2 H 1 6.858 0.014 . 3 . . . . 25 Y QD . 17777 1
211 . 1 1 25 25 TYR HE1 H 1 7.035 0.008 . 3 . . . . 25 Y QE . 17777 1
212 . 1 1 25 25 TYR HE2 H 1 7.035 0.008 . 3 . . . . 25 Y QE . 17777 1
213 . 1 1 25 25 TYR CA C 13 59.525 0.000 . 1 . . . . 25 Y CA . 17777 1
214 . 1 1 25 25 TYR CB C 13 35.479 0.000 . 1 . . . . 25 Y CB . 17777 1
215 . 1 1 25 25 TYR N N 15 118.605 0.048 . 1 . . . . 25 Y N . 17777 1
216 . 1 1 26 26 GLY H H 1 8.913 0.001 . 1 . . . . 26 G HN . 17777 1
217 . 1 1 26 26 GLY HA2 H 1 3.500 0.000 . . . . . . 26 G HA1 . 17777 1
218 . 1 1 26 26 GLY HA3 H 1 4.359 0.000 . 2 . . . . 26 G HA2 . 17777 1
219 . 1 1 26 26 GLY N N 15 110.480 0.005 . 1 . . . . 26 G N . 17777 1
220 . 1 1 27 27 ASN H H 1 9.018 0.006 . 1 . . . . 27 N HN . 17777 1
221 . 1 1 27 27 ASN HA H 1 4.867 0.006 . 1 . . . . 27 N HA . 17777 1
222 . 1 1 27 27 ASN HB2 H 1 2.745 0.006 . 2 . . . . 27 N HB2 . 17777 1
223 . 1 1 27 27 ASN HB3 H 1 2.519 0.001 . 2 . . . . 27 N HB3 . 17777 1
224 . 1 1 27 27 ASN CA C 13 50.765 0.108 . 1 . . . . 27 N CA . 17777 1
225 . 1 1 27 27 ASN CB C 13 37.015 0.027 . 1 . . . . 27 N CB . 17777 1
226 . 1 1 27 27 ASN N N 15 121.767 0.048 . 1 . . . . 27 N N . 17777 1
227 . 1 1 28 28 ASN H H 1 8.715 0.001 . 1 . . . . 28 N HN . 17777 1
228 . 1 1 28 28 ASN HA H 1 5.103 0.000 . 1 . . . . 28 N HA . 17777 1
229 . 1 1 28 28 ASN HB2 H 1 3.191 0.010 . 2 . . . . 28 N HB2 . 17777 1
230 . 1 1 28 28 ASN HB3 H 1 1.898 0.010 . 2 . . . . 28 N HB3 . 17777 1
231 . 1 1 28 28 ASN HD21 H 1 8.541 0.003 . 2 . . . . 28 N HD21 . 17777 1
232 . 1 1 28 28 ASN HD22 H 1 6.720 0.011 . 2 . . . . 28 N HD22 . 17777 1
233 . 1 1 28 28 ASN CB C 13 38.383 0.008 . 1 . . . . 28 N CB . 17777 1
234 . 1 1 28 28 ASN N N 15 122.163 0.066 . 1 . . . . 28 N N . 17777 1
235 . 1 1 28 28 ASN ND2 N 15 114.922 0.079 . 1 . . . . 28 N ND2 . 17777 1
236 . 1 1 29 29 LEU H H 1 8.626 0.006 . 1 . . . . 29 L HN . 17777 1
237 . 1 1 29 29 LEU HA H 1 4.399 0.005 . 1 . . . . 29 L HA . 17777 1
238 . 1 1 29 29 LEU HB2 H 1 1.331 0.000 . 2 . . . . 29 L HB2 . 17777 1
239 . 1 1 29 29 LEU HB3 H 1 1.224 0.000 . 2 . . . . 29 L HB3 . 17777 1
240 . 1 1 29 29 LEU HG H 1 1.212 0.001 . 1 . . . . 29 L HG . 17777 1
241 . 1 1 29 29 LEU HD11 H 1 0.676 0.003 . . . . . . 29 L QD1 . 17777 1
242 . 1 1 29 29 LEU HD12 H 1 0.676 0.003 . . . . . . 29 L QD1 . 17777 1
243 . 1 1 29 29 LEU HD13 H 1 0.676 0.003 . . . . . . 29 L QD1 . 17777 1
244 . 1 1 29 29 LEU HD21 H 1 0.600 0.001 . . . . . . 29 L QD2 . 17777 1
245 . 1 1 29 29 LEU HD22 H 1 0.600 0.001 . . . . . . 29 L QD2 . 17777 1
246 . 1 1 29 29 LEU HD23 H 1 0.600 0.001 . . . . . . 29 L QD2 . 17777 1
247 . 1 1 29 29 LEU CA C 13 52.175 0.000 . 1 . . . . 29 L CA . 17777 1
248 . 1 1 29 29 LEU CG C 13 25.729 0.027 . 1 . . . . 29 L CG . 17777 1
249 . 1 1 29 29 LEU CD1 C 13 23.047 0.137 . 2 . . . . 29 L CD1 . 17777 1
250 . 1 1 29 29 LEU CD2 C 13 21.731 0.099 . 2 . . . . 29 L CD2 . 17777 1
251 . 1 1 29 29 LEU N N 15 125.596 0.041 . 1 . . . . 29 L N . 17777 1
252 . 1 1 30 30 ILE H H 1 9.055 0.010 . 1 . . . . 30 I HN . 17777 1
253 . 1 1 30 30 ILE HA H 1 4.452 0.008 . 1 . . . . 30 I HA . 17777 1
254 . 1 1 30 30 ILE HB H 1 1.813 0.012 . 1 . . . . 30 I HB . 17777 1
255 . 1 1 30 30 ILE HG12 H 1 0.594 0.000 . . . . . . 30 I QG1 . 17777 1
256 . 1 1 30 30 ILE HG13 H 1 0.594 0.000 . . . . . . 30 I QG1 . 17777 1
257 . 1 1 30 30 ILE HG21 H 1 0.653 0.000 . . . . . . 30 I QG2 . 17777 1
258 . 1 1 30 30 ILE HG22 H 1 0.653 0.000 . . . . . . 30 I QG2 . 17777 1
259 . 1 1 30 30 ILE HG23 H 1 0.653 0.000 . . . . . . 30 I QG2 . 17777 1
260 . 1 1 30 30 ILE CA C 13 58.159 0.021 . 1 . . . . 30 I CA . 17777 1
261 . 1 1 30 30 ILE CB C 13 35.071 0.000 . 1 . . . . 30 I CB . 17777 1
262 . 1 1 30 30 ILE CG1 C 13 25.143 0.000 . 1 . . . . 30 I CG1 . 17777 1
263 . 1 1 30 30 ILE CG2 C 13 15.568 0.000 . 1 . . . . 30 I CG2 . 17777 1
264 . 1 1 30 30 ILE N N 15 127.880 0.015 . 1 . . . . 30 I N . 17777 1
265 . 1 1 31 31 VAL H H 1 8.490 0.009 . 1 . . . . 31 V HN . 17777 1
266 . 1 1 31 31 VAL HA H 1 4.302 0.011 . 1 . . . . 31 V HA . 17777 1
267 . 1 1 31 31 VAL HB H 1 1.663 0.003 . 1 . . . . 31 V HB . 17777 1
268 . 1 1 31 31 VAL HG11 H 1 0.648 0.019 . . . . . . 31 V QQG . 17777 1
269 . 1 1 31 31 VAL HG12 H 1 0.648 0.019 . . . . . . 31 V QQG . 17777 1
270 . 1 1 31 31 VAL HG13 H 1 0.648 0.019 . . . . . . 31 V QQG . 17777 1
271 . 1 1 31 31 VAL HG21 H 1 0.648 0.019 . . . . . . 31 V QQG . 17777 1
272 . 1 1 31 31 VAL HG22 H 1 0.648 0.019 . . . . . . 31 V QQG . 17777 1
273 . 1 1 31 31 VAL HG23 H 1 0.648 0.019 . . . . . . 31 V QQG . 17777 1
274 . 1 1 31 31 VAL CA C 13 58.519 0.128 . 1 . . . . 31 V CA . 17777 1
275 . 1 1 31 31 VAL CB C 13 30.198 0.000 . 1 . . . . 31 V CB . 17777 1
276 . 1 1 31 31 VAL CG1 C 13 19.324 0.248 . 2 . . . . 31 V CG1 . 17777 1
277 . 1 1 31 31 VAL N N 15 125.535 0.027 . 1 . . . . 31 V N . 17777 1
278 . 1 1 32 32 LEU H H 1 9.086 0.005 . 1 . . . . 32 L HN . 17777 1
279 . 1 1 32 32 LEU HA H 1 4.614 0.013 . 1 . . . . 32 L HA . 17777 1
280 . 1 1 32 32 LEU HB2 H 1 1.661 0.035 . 2 . . . . 32 L QB . 17777 1
281 . 1 1 32 32 LEU HB3 H 1 1.661 0.035 . 2 . . . . 32 L QB . 17777 1
282 . 1 1 32 32 LEU HD11 H 1 0.650 0.010 . . . . . . 32 L QD1 . 17777 1
283 . 1 1 32 32 LEU HD12 H 1 0.650 0.010 . . . . . . 32 L QD1 . 17777 1
284 . 1 1 32 32 LEU HD13 H 1 0.650 0.010 . . . . . . 32 L QD1 . 17777 1
285 . 1 1 32 32 LEU HD21 H 1 0.813 0.000 . . . . . . 32 L QD2 . 17777 1
286 . 1 1 32 32 LEU HD22 H 1 0.813 0.000 . . . . . . 32 L QD2 . 17777 1
287 . 1 1 32 32 LEU HD23 H 1 0.813 0.000 . . . . . . 32 L QD2 . 17777 1
288 . 1 1 32 32 LEU N N 15 130.427 0.009 . 1 . . . . 32 L N . 17777 1
289 . 1 1 33 33 GLY H H 1 8.379 0.005 . 1 . . . . 33 G HN . 17777 1
290 . 1 1 33 33 GLY HA2 H 1 4.248 0.022 . . . . . . 33 G HA1 . 17777 1
291 . 1 1 33 33 GLY HA3 H 1 3.791 0.004 . 2 . . . . 33 G HA2 . 17777 1
292 . 1 1 33 33 GLY CA C 13 44.213 0.079 . 1 . . . . 33 G CA . 17777 1
293 . 1 1 33 33 GLY N N 15 109.440 0.026 . 1 . . . . 33 G N . 17777 1
294 . 1 1 34 34 ARG H H 1 8.959 0.002 . 1 . . . . 34 R HN . 17777 1
295 . 1 1 34 34 ARG HA H 1 4.242 0.004 . 1 . . . . 34 R HA . 17777 1
296 . 1 1 34 34 ARG HB3 H 1 1.760 0.000 . 2 . . . . 34 R HB3 . 17777 1
297 . 1 1 34 34 ARG HG2 H 1 1.712 0.002 . 2 . . . . 34 R QG . 17777 1
298 . 1 1 34 34 ARG HG3 H 1 1.712 0.002 . 2 . . . . 34 R QG . 17777 1
299 . 1 1 34 34 ARG CA C 13 54.239 0.000 . 1 . . . . 34 R CA . 17777 1
300 . 1 1 34 34 ARG N N 15 124.025 0.019 . 1 . . . . 34 R N . 17777 1
301 . 1 1 35 35 THR H H 1 8.052 0.009 . 1 . . . . 35 T HN . 17777 1
302 . 1 1 35 35 THR HA H 1 3.846 0.010 . 1 . . . . 35 T HA . 17777 1
303 . 1 1 35 35 THR HB H 1 3.939 0.000 . 1 . . . . 35 T HB . 17777 1
304 . 1 1 35 35 THR HG21 H 1 1.093 0.018 . . . . . . 35 T QG2 . 17777 1
305 . 1 1 35 35 THR HG22 H 1 1.093 0.018 . . . . . . 35 T QG2 . 17777 1
306 . 1 1 35 35 THR HG23 H 1 1.093 0.018 . . . . . . 35 T QG2 . 17777 1
307 . 1 1 35 35 THR CA C 13 63.190 0.000 . 1 . . . . 35 T CA . 17777 1
308 . 1 1 35 35 THR CB C 13 65.589 0.000 . 1 . . . . 35 T CB . 17777 1
309 . 1 1 35 35 THR N N 15 118.450 0.039 . 1 . . . . 35 T N . 17777 1
310 . 1 1 36 36 ILE H H 1 7.406 0.001 . 1 . . . . 36 I HN . 17777 1
311 . 1 1 36 36 ILE HA H 1 3.817 0.007 . 1 . . . . 36 I HA . 17777 1
312 . 1 1 36 36 ILE HB H 1 2.538 0.903 . 1 . . . . 36 I HB . 17777 1
313 . 1 1 36 36 ILE HG12 H 1 1.215 0.013 . 2 . . . . 36 I HG12 . 17777 1
314 . 1 1 36 36 ILE HG13 H 1 1.373 0.007 . 2 . . . . 36 I HG13 . 17777 1
315 . 1 1 36 36 ILE HG21 H 1 0.858 0.003 . . . . . . 36 I QG2 . 17777 1
316 . 1 1 36 36 ILE HG22 H 1 0.858 0.003 . . . . . . 36 I QG2 . 17777 1
317 . 1 1 36 36 ILE HG23 H 1 0.858 0.003 . . . . . . 36 I QG2 . 17777 1
318 . 1 1 36 36 ILE HD11 H 1 0.815 0.023 . . . . . . 36 I QD1 . 17777 1
319 . 1 1 36 36 ILE HD12 H 1 0.815 0.023 . . . . . . 36 I QD1 . 17777 1
320 . 1 1 36 36 ILE HD13 H 1 0.815 0.023 . . . . . . 36 I QD1 . 17777 1
321 . 1 1 36 36 ILE CA C 13 59.070 0.000 . 1 . . . . 36 I CA . 17777 1
322 . 1 1 36 36 ILE CB C 13 35.462 0.000 . 1 . . . . 36 I CB . 17777 1
323 . 1 1 36 36 ILE CG2 C 13 15.526 0.024 . 1 . . . . 36 I CG2 . 17777 1
324 . 1 1 36 36 ILE N N 15 119.843 0.029 . 1 . . . . 36 I N . 17777 1
325 . 1 1 37 37 GLU H H 1 7.723 0.005 . 1 . . . . 37 E HN . 17777 1
326 . 1 1 37 37 GLU HA H 1 4.128 0.000 . 1 . . . . 37 E HA . 17777 1
327 . 1 1 37 37 GLU HB2 H 1 2.039 0.000 . 2 . . . . 37 E QB . 17777 1
328 . 1 1 37 37 GLU HB3 H 1 2.039 0.000 . 2 . . . . 37 E QB . 17777 1
329 . 1 1 37 37 GLU HG2 H 1 2.292 0.001 . 2 . . . . 37 E QG . 17777 1
330 . 1 1 37 37 GLU HG3 H 1 2.292 0.001 . 2 . . . . 37 E QG . 17777 1
331 . 1 1 37 37 GLU CG C 13 33.884 0.000 . 1 . . . . 37 E CG . 17777 1
332 . 1 1 37 37 GLU N N 15 118.980 0.013 . 1 . . . . 37 E N . 17777 1
333 . 1 1 38 38 THR H H 1 7.451 0.001 . 1 . . . . 38 T HN . 17777 1
334 . 1 1 38 38 THR HA H 1 4.361 0.000 . 1 . . . . 38 T HA . 17777 1
335 . 1 1 38 38 THR N N 15 106.868 0.038 . 1 . . . . 38 T N . 17777 1
336 . 1 1 39 39 LEU H H 1 7.012 0.006 . 1 . . . . 39 L HN . 17777 1
337 . 1 1 39 39 LEU HA H 1 4.001 0.000 . 1 . . . . 39 L HA . 17777 1
338 . 1 1 39 39 LEU HB2 H 1 1.429 0.020 . 2 . . . . 39 L HB2 . 17777 1
339 . 1 1 39 39 LEU HB3 H 1 1.210 0.011 . 2 . . . . 39 L HB3 . 17777 1
340 . 1 1 39 39 LEU HD11 H 1 0.758 0.018 . . . . . . 39 L QD1 . 17777 1
341 . 1 1 39 39 LEU HD12 H 1 0.758 0.018 . . . . . . 39 L QD1 . 17777 1
342 . 1 1 39 39 LEU HD13 H 1 0.758 0.018 . . . . . . 39 L QD1 . 17777 1
343 . 1 1 39 39 LEU HD21 H 1 0.659 0.000 . . . . . . 39 L QD2 . 17777 1
344 . 1 1 39 39 LEU HD22 H 1 0.659 0.000 . . . . . . 39 L QD2 . 17777 1
345 . 1 1 39 39 LEU HD23 H 1 0.659 0.000 . . . . . . 39 L QD2 . 17777 1
346 . 1 1 39 39 LEU CB C 13 39.708 0.080 . 1 . . . . 39 L CB . 17777 1
347 . 1 1 39 39 LEU CD1 C 13 22.377 0.000 . 2 . . . . 39 L CD1 . 17777 1
348 . 1 1 39 39 LEU N N 15 123.044 0.001 . 1 . . . . 39 L N . 17777 1
349 . 1 1 40 40 GLU H H 1 7.981 0.001 . 1 . . . . 40 E HN . 17777 1
350 . 1 1 40 40 GLU HA H 1 4.243 0.000 . 1 . . . . 40 E HA . 17777 1
351 . 1 1 40 40 GLU HB2 H 1 1.785 0.013 . 2 . . . . 40 E HB2 . 17777 1
352 . 1 1 40 40 GLU HG2 H 1 1.965 0.000 . 2 . . . . 40 E QG . 17777 1
353 . 1 1 40 40 GLU HG3 H 1 1.965 0.000 . 2 . . . . 40 E QG . 17777 1
354 . 1 1 40 40 GLU N N 15 123.324 0.034 . 1 . . . . 40 E N . 17777 1
355 . 1 1 41 41 PHE H H 1 8.224 0.001 . 1 . . . . 41 F HN . 17777 1
356 . 1 1 41 41 PHE HA H 1 4.573 0.000 . 1 . . . . 41 F HA . 17777 1
357 . 1 1 41 41 PHE HB2 H 1 3.062 0.000 . 2 . . . . 41 F HB2 . 17777 1
358 . 1 1 41 41 PHE HB3 H 1 2.621 0.000 . 2 . . . . 41 F HB3 . 17777 1
359 . 1 1 41 41 PHE HD1 H 1 7.081 0.003 . 3 . . . . 41 F QD . 17777 1
360 . 1 1 41 41 PHE HD2 H 1 7.081 0.003 . 3 . . . . 41 F QD . 17777 1
361 . 1 1 41 41 PHE N N 15 121.305 0.064 . 1 . . . . 41 F N . 17777 1
362 . 1 1 42 42 GLY H H 1 8.566 0.002 . 1 . . . . 42 G HN . 17777 1
363 . 1 1 42 42 GLY HA2 H 1 4.058 0.000 . . . . . . 42 G HA1 . 17777 1
364 . 1 1 42 42 GLY HA3 H 1 3.843 0.000 . 2 . . . . 42 G HA2 . 17777 1
365 . 1 1 42 42 GLY N N 15 109.568 0.017 . 1 . . . . 42 G N . 17777 1
366 . 1 1 43 43 ASN H H 1 8.386 0.000 . 1 . . . . 43 N HN . 17777 1
367 . 1 1 43 43 ASN N N 15 118.013 0.005 . 1 . . . . 43 N N . 17777 1
368 . 1 1 44 44 ASP H H 1 8.374 0.000 . 1 . . . . 44 D HN . 17777 1
369 . 1 1 44 44 ASP HA H 1 4.497 0.000 . 1 . . . . 44 D HA . 17777 1
370 . 1 1 44 44 ASP N N 15 117.618 0.000 . 1 . . . . 44 D N . 17777 1
371 . 1 1 45 45 ASN H H 1 7.968 0.004 . 1 . . . . 45 N HN . 17777 1
372 . 1 1 45 45 ASN HA H 1 4.615 0.000 . 1 . . . . 45 N HA . 17777 1
373 . 1 1 45 45 ASN N N 15 117.191 0.000 . 1 . . . . 45 N N . 17777 1
374 . 1 1 46 46 PHE H H 1 8.098 0.000 . 1 . . . . 46 F HN . 17777 1
375 . 1 1 46 46 PHE HD1 H 1 7.111 0.002 . 3 . . . . 46 F QD . 17777 1
376 . 1 1 46 46 PHE HD2 H 1 7.111 0.002 . 3 . . . . 46 F QD . 17777 1
377 . 1 1 46 46 PHE N N 15 121.484 0.000 . 1 . . . . 46 F N . 17777 1
378 . 1 1 47 47 PRO HA H 1 4.335 0.009 . 1 . . . . 47 P HA . 17777 1
379 . 1 1 47 47 PRO HB3 H 1 2.449 0.000 . 2 . . . . 47 P HB3 . 17777 1
380 . 1 1 47 47 PRO HD2 H 1 2.923 0.009 . 2 . . . . 47 P HD2 . 17777 1
381 . 1 1 47 47 PRO HD3 H 1 2.446 0.002 . 2 . . . . 47 P HD3 . 17777 1
382 . 1 1 47 47 PRO CA C 13 60.170 0.000 . 1 . . . . 47 P CA . 17777 1
383 . 1 1 47 47 PRO CD C 13 47.031 0.009 . 1 . . . . 47 P CD . 17777 1
384 . 1 1 48 48 GLU H H 1 8.209 0.002 . 1 . . . . 48 E HN . 17777 1
385 . 1 1 48 48 GLU HB2 H 1 1.914 0.016 . 2 . . . . 48 E HB2 . 17777 1
386 . 1 1 48 48 GLU HB3 H 1 1.659 0.017 . 2 . . . . 48 E HB3 . 17777 1
387 . 1 1 48 48 GLU N N 15 119.616 0.049 . 1 . . . . 48 E N . 17777 1
388 . 1 1 49 49 ASN H H 1 7.506 0.001 . 1 . . . . 49 N HN . 17777 1
389 . 1 1 49 49 ASN HB2 H 1 2.583 0.010 . 2 . . . . 49 N QB . 17777 1
390 . 1 1 49 49 ASN HB3 H 1 2.583 0.010 . 2 . . . . 49 N QB . 17777 1
391 . 1 1 49 49 ASN N N 15 114.178 0.062 . 1 . . . . 49 N N . 17777 1
392 . 1 1 50 50 ILE H H 1 7.916 0.010 . 1 . . . . 50 I HN . 17777 1
393 . 1 1 50 50 ILE HA H 1 4.536 0.010 . 1 . . . . 50 I HA . 17777 1
394 . 1 1 50 50 ILE HD11 H 1 0.648 0.003 . . . . . . 50 I QD1 . 17777 1
395 . 1 1 50 50 ILE HD12 H 1 0.648 0.003 . . . . . . 50 I QD1 . 17777 1
396 . 1 1 50 50 ILE HD13 H 1 0.648 0.003 . . . . . . 50 I QD1 . 17777 1
397 . 1 1 50 50 ILE CD1 C 13 10.972 0.085 . 1 . . . . 50 I CD1 . 17777 1
398 . 1 1 50 50 ILE N N 15 125.732 0.000 . 1 . . . . 50 I N . 17777 1
399 . 1 1 51 51 ILE H H 1 9.298 0.003 . 1 . . . . 51 I HN . 17777 1
400 . 1 1 51 51 ILE HA H 1 4.111 0.003 . 1 . . . . 51 I HA . 17777 1
401 . 1 1 51 51 ILE HB H 1 1.466 0.000 . 1 . . . . 51 I HB . 17777 1
402 . 1 1 51 51 ILE HG12 H 1 1.244 0.014 . 2 . . . . 51 I HG12 . 17777 1
403 . 1 1 51 51 ILE HG13 H 1 0.752 0.018 . 2 . . . . 51 I HG13 . 17777 1
404 . 1 1 51 51 ILE HG21 H 1 0.591 0.005 . . . . . . 51 I QG2 . 17777 1
405 . 1 1 51 51 ILE HG22 H 1 0.591 0.005 . . . . . . 51 I QG2 . 17777 1
406 . 1 1 51 51 ILE HG23 H 1 0.591 0.005 . . . . . . 51 I QG2 . 17777 1
407 . 1 1 51 51 ILE HD11 H 1 -0.363 0.006 . . . . . . 51 I QD1 . 17777 1
408 . 1 1 51 51 ILE HD12 H 1 -0.363 0.006 . . . . . . 51 I QD1 . 17777 1
409 . 1 1 51 51 ILE HD13 H 1 -0.363 0.006 . . . . . . 51 I QD1 . 17777 1
410 . 1 1 51 51 ILE CA C 13 55.451 0.070 . 1 . . . . 51 I CA . 17777 1
411 . 1 1 51 51 ILE CB C 13 37.124 0.000 . 1 . . . . 51 I CB . 17777 1
412 . 1 1 51 51 ILE CG2 C 13 12.315 0.186 . 1 . . . . 51 I CG2 . 17777 1
413 . 1 1 51 51 ILE CD1 C 13 12.621 0.042 . 1 . . . . 51 I CD1 . 17777 1
414 . 1 1 51 51 ILE N N 15 130.406 0.004 . 1 . . . . 51 I N . 17777 1
415 . 1 1 52 52 PRO HA H 1 4.817 0.004 . 1 . . . . 52 P HA . 17777 1
416 . 1 1 52 52 PRO HB2 H 1 1.876 0.000 . 2 . . . . 52 P HB2 . 17777 1
417 . 1 1 52 52 PRO HB3 H 1 2.035 0.000 . 2 . . . . 52 P HB3 . 17777 1
418 . 1 1 52 52 PRO HG2 H 1 2.351 0.006 . 2 . . . . 52 P HG2 . 17777 1
419 . 1 1 52 52 PRO HG3 H 1 1.856 0.007 . 2 . . . . 52 P HG3 . 17777 1
420 . 1 1 52 52 PRO HD2 H 1 3.671 0.005 . 2 . . . . 52 P HD2 . 17777 1
421 . 1 1 52 52 PRO HD3 H 1 3.889 0.003 . 2 . . . . 52 P HD3 . 17777 1
422 . 1 1 52 52 PRO CA C 13 58.397 0.000 . 1 . . . . 52 P CA . 17777 1
423 . 1 1 52 52 PRO CG C 13 24.409 0.059 . 1 . . . . 52 P CG . 17777 1
424 . 1 1 52 52 PRO CD C 13 48.010 0.107 . 1 . . . . 52 P CD . 17777 1
425 . 1 1 53 53 VAL H H 1 8.819 0.009 . 1 . . . . 53 V HN . 17777 1
426 . 1 1 53 53 VAL HA H 1 4.322 0.000 . 1 . . . . 53 V HA . 17777 1
427 . 1 1 53 53 VAL HB H 1 2.174 0.018 . 1 . . . . 53 V HB . 17777 1
428 . 1 1 53 53 VAL HG11 H 1 0.804 0.095 . . . . . . 53 V QG1 . 17777 1
429 . 1 1 53 53 VAL HG12 H 1 0.804 0.095 . . . . . . 53 V QG1 . 17777 1
430 . 1 1 53 53 VAL HG13 H 1 0.804 0.095 . . . . . . 53 V QG1 . 17777 1
431 . 1 1 53 53 VAL HG21 H 1 0.828 0.084 . . . . . . 53 V QG2 . 17777 1
432 . 1 1 53 53 VAL HG22 H 1 0.828 0.084 . . . . . . 53 V QG2 . 17777 1
433 . 1 1 53 53 VAL HG23 H 1 0.828 0.084 . . . . . . 53 V QG2 . 17777 1
434 . 1 1 53 53 VAL CB C 13 28.669 0.000 . 1 . . . . 53 V CB . 17777 1
435 . 1 1 53 53 VAL CG1 C 13 19.233 0.621 . 2 . . . . 53 V CG1 . 17777 1
436 . 1 1 53 53 VAL CG2 C 13 18.743 0.240 . 2 . . . . 53 V CG2 . 17777 1
437 . 1 1 54 54 THR H H 1 7.979 0.008 . 1 . . . . 54 T HN . 17777 1
438 . 1 1 54 54 THR HA H 1 4.135 0.000 . 1 . . . . 54 T HA . 17777 1
439 . 1 1 54 54 THR HG21 H 1 1.240 0.003 . . . . . . 54 T QG2 . 17777 1
440 . 1 1 54 54 THR HG22 H 1 1.240 0.003 . . . . . . 54 T QG2 . 17777 1
441 . 1 1 54 54 THR HG23 H 1 1.240 0.003 . . . . . . 54 T QG2 . 17777 1
442 . 1 1 54 54 THR CG2 C 13 19.521 0.044 . 1 . . . . 54 T CG2 . 17777 1
443 . 1 1 54 54 THR N N 15 118.876 0.015 . 1 . . . . 54 T N . 17777 1
444 . 1 1 55 55 ASP H H 1 8.414 0.005 . 1 . . . . 55 D HN . 17777 1
445 . 1 1 55 55 ASP HA H 1 4.643 0.000 . 1 . . . . 55 D HA . 17777 1
446 . 1 1 55 55 ASP HB2 H 1 2.762 0.007 . 2 . . . . 55 D HB2 . 17777 1
447 . 1 1 55 55 ASP HB3 H 1 2.433 0.007 . 2 . . . . 55 D HB3 . 17777 1
448 . 1 1 55 55 ASP CB C 13 37.882 0.000 . 1 . . . . 55 D CB . 17777 1
449 . 1 1 55 55 ASP N N 15 119.704 0.019 . 1 . . . . 55 D N . 17777 1
450 . 1 1 56 56 SER H H 1 7.237 0.001 . 1 . . . . 56 S HN . 17777 1
451 . 1 1 56 56 SER HA H 1 4.345 0.014 . 1 . . . . 56 S HA . 17777 1
452 . 1 1 56 56 SER HB2 H 1 3.817 0.024 . 2 . . . . 56 S QB . 17777 1
453 . 1 1 56 56 SER HB3 H 1 3.817 0.024 . 2 . . . . 56 S QB . 17777 1
454 . 1 1 56 56 SER CA C 13 55.312 0.000 . 1 . . . . 56 S CA . 17777 1
455 . 1 1 56 56 SER CB C 13 61.717 0.000 . 1 . . . . 56 S CB . 17777 1
456 . 1 1 56 56 SER N N 15 112.508 0.004 . 1 . . . . 56 S N . 17777 1
457 . 1 1 57 57 LYS H H 1 8.881 0.001 . 1 . . . . 57 K HN . 17777 1
458 . 1 1 57 57 LYS HA H 1 4.291 0.000 . 1 . . . . 57 K HA . 17777 1
459 . 1 1 57 57 LYS HB2 H 1 1.865 0.000 . 2 . . . . 57 K QB . 17777 1
460 . 1 1 57 57 LYS HB3 H 1 1.865 0.000 . 2 . . . . 57 K QB . 17777 1
461 . 1 1 57 57 LYS HG2 H 1 0.845 0.000 . 2 . . . . 57 K QG . 17777 1
462 . 1 1 57 57 LYS HG3 H 1 0.845 0.000 . 2 . . . . 57 K QG . 17777 1
463 . 1 1 57 57 LYS N N 15 125.938 0.013 . 1 . . . . 57 K N . 17777 1
464 . 1 1 58 58 SER H H 1 8.029 0.001 . 1 . . . . 58 S HN . 17777 1
465 . 1 1 58 58 SER HA H 1 4.554 0.000 . 1 . . . . 58 S HA . 17777 1
466 . 1 1 58 58 SER HB2 H 1 3.738 0.000 . 2 . . . . 58 S QB . 17777 1
467 . 1 1 58 58 SER HB3 H 1 3.738 0.000 . 2 . . . . 58 S QB . 17777 1
468 . 1 1 58 58 SER N N 15 115.000 0.004 . 1 . . . . 58 S N . 17777 1
469 . 1 1 59 59 ASP H H 1 8.232 0.000 . 1 . . . . 59 D HN . 17777 1
470 . 1 1 59 59 ASP HA H 1 5.130 0.014 . 1 . . . . 59 D HA . 17777 1
471 . 1 1 59 59 ASP HB2 H 1 2.769 0.002 . 2 . . . . 59 D HB2 . 17777 1
472 . 1 1 59 59 ASP HB3 H 1 2.438 0.002 . 2 . . . . 59 D HB3 . 17777 1
473 . 1 1 59 59 ASP CA C 13 50.162 0.108 . 1 . . . . 59 D CA . 17777 1
474 . 1 1 59 59 ASP N N 15 121.989 0.028 . 1 . . . . 59 D N . 17777 1
475 . 1 1 60 60 GLY H H 1 8.285 0.000 . 1 . . . . 60 G HN . 17777 1
476 . 1 1 60 60 GLY HA2 H 1 4.362 0.000 . . . . . . 60 G HA1 . 17777 1
477 . 1 1 60 60 GLY HA3 H 1 3.923 0.011 . 2 . . . . 60 G HA2 . 17777 1
478 . 1 1 60 60 GLY N N 15 110.391 0.008 . 1 . . . . 60 G N . 17777 1
479 . 1 1 61 61 ILE H H 1 7.631 0.003 . 1 . . . . 61 I HN . 17777 1
480 . 1 1 61 61 ILE HA H 1 4.852 0.004 . 1 . . . . 61 I HA . 17777 1
481 . 1 1 61 61 ILE HB H 1 1.352 0.002 . 1 . . . . 61 I HB . 17777 1
482 . 1 1 61 61 ILE HG12 H 1 1.404 0.000 . 2 . . . . 61 I HG12 . 17777 1
483 . 1 1 61 61 ILE HG13 H 1 0.681 0.000 . 2 . . . . 61 I HG13 . 17777 1
484 . 1 1 61 61 ILE HG21 H 1 0.227 0.017 . . . . . . 61 I QG2 . 17777 1
485 . 1 1 61 61 ILE HG22 H 1 0.227 0.017 . . . . . . 61 I QG2 . 17777 1
486 . 1 1 61 61 ILE HG23 H 1 0.227 0.017 . . . . . . 61 I QG2 . 17777 1
487 . 1 1 61 61 ILE HD11 H 1 0.663 0.004 . . . . . . 61 I QD1 . 17777 1
488 . 1 1 61 61 ILE HD12 H 1 0.663 0.004 . . . . . . 61 I QD1 . 17777 1
489 . 1 1 61 61 ILE HD13 H 1 0.663 0.004 . . . . . . 61 I QD1 . 17777 1
490 . 1 1 61 61 ILE CA C 13 57.434 0.075 . 1 . . . . 61 I CA . 17777 1
491 . 1 1 61 61 ILE CB C 13 39.784 0.137 . 1 . . . . 61 I CB . 17777 1
492 . 1 1 61 61 ILE CG1 C 13 25.486 0.033 . 1 . . . . 61 I CG1 . 17777 1
493 . 1 1 61 61 ILE CG2 C 13 14.490 0.016 . 1 . . . . 61 I CG2 . 17777 1
494 . 1 1 61 61 ILE CD1 C 13 10.994 0.000 . 1 . . . . 61 I CD1 . 17777 1
495 . 1 1 61 61 ILE N N 15 117.055 0.037 . 1 . . . . 61 I N . 17777 1
496 . 1 1 62 62 ILE H H 1 8.699 0.004 . 1 . . . . 62 I HN . 17777 1
497 . 1 1 62 62 ILE HA H 1 4.201 0.010 . 1 . . . . 62 I HA . 17777 1
498 . 1 1 62 62 ILE HB H 1 1.342 0.036 . 1 . . . . 62 I HB . 17777 1
499 . 1 1 62 62 ILE HG12 H 1 0.986 0.000 . 2 . . . . 62 I HG12 . 17777 1
500 . 1 1 62 62 ILE HG13 H 1 0.435 0.000 . 2 . . . . 62 I HG13 . 17777 1
501 . 1 1 62 62 ILE HG21 H 1 0.630 0.008 . . . . . . 62 I QG2 . 17777 1
502 . 1 1 62 62 ILE HG22 H 1 0.630 0.008 . . . . . . 62 I QG2 . 17777 1
503 . 1 1 62 62 ILE HG23 H 1 0.630 0.008 . . . . . . 62 I QG2 . 17777 1
504 . 1 1 62 62 ILE HD11 H 1 0.116 0.006 . . . . . . 62 I QD1 . 17777 1
505 . 1 1 62 62 ILE HD12 H 1 0.116 0.006 . . . . . . 62 I QD1 . 17777 1
506 . 1 1 62 62 ILE HD13 H 1 0.116 0.006 . . . . . . 62 I QD1 . 17777 1
507 . 1 1 62 62 ILE CA C 13 57.178 0.019 . 1 . . . . 62 I CA . 17777 1
508 . 1 1 62 62 ILE CG2 C 13 14.935 0.032 . 1 . . . . 62 I CG2 . 17777 1
509 . 1 1 62 62 ILE CD1 C 13 11.011 0.018 . 1 . . . . 62 I CD1 . 17777 1
510 . 1 1 62 62 ILE N N 15 124.294 0.071 . 1 . . . . 62 I N . 17777 1
511 . 1 1 63 63 TYR H H 1 8.998 0.013 . 1 . . . . 63 Y HN . 17777 1
512 . 1 1 63 63 TYR HA H 1 4.522 0.007 . 1 . . . . 63 Y HA . 17777 1
513 . 1 1 63 63 TYR HB2 H 1 2.849 0.021 . 2 . . . . 63 Y HB2 . 17777 1
514 . 1 1 63 63 TYR HB3 H 1 2.658 0.011 . 2 . . . . 63 Y HB3 . 17777 1
515 . 1 1 63 63 TYR HD1 H 1 6.824 0.019 . 3 . . . . 63 Y QD . 17777 1
516 . 1 1 63 63 TYR HD2 H 1 6.824 0.019 . 3 . . . . 63 Y QD . 17777 1
517 . 1 1 63 63 TYR HE1 H 1 6.539 0.004 . 3 . . . . 63 Y QE . 17777 1
518 . 1 1 63 63 TYR HE2 H 1 6.539 0.004 . 3 . . . . 63 Y QE . 17777 1
519 . 1 1 63 63 TYR CA C 13 55.233 0.000 . 1 . . . . 63 Y CA . 17777 1
520 . 1 1 63 63 TYR CE1 C 13 114.79 0.061 . 3 . . . . 63 Y CE1 . 17777 1
521 . 1 1 63 63 TYR N N 15 124.978 0.024 . 1 . . . . 63 Y N . 17777 1
522 . 1 1 64 64 LEU H H 1 8.714 0.010 . 1 . . . . 64 L HN . 17777 1
523 . 1 1 64 64 LEU HA H 1 4.911 0.032 . 1 . . . . 64 L HA . 17777 1
524 . 1 1 64 64 LEU HB2 H 1 1.577 0.004 . 2 . . . . 64 L HB2 . 17777 1
525 . 1 1 64 64 LEU HB3 H 1 0.955 0.006 . 2 . . . . 64 L HB3 . 17777 1
526 . 1 1 64 64 LEU HG H 1 0.550 0.033 . 1 . . . . 64 L HG . 17777 1
527 . 1 1 64 64 LEU HD11 H 1 -0.351 0.015 . . . . . . 64 L QQD . 17777 1
528 . 1 1 64 64 LEU HD12 H 1 -0.351 0.015 . . . . . . 64 L QQD . 17777 1
529 . 1 1 64 64 LEU HD13 H 1 -0.351 0.015 . . . . . . 64 L QQD . 17777 1
530 . 1 1 64 64 LEU HD21 H 1 -0.351 0.015 . . . . . . 64 L QQD . 17777 1
531 . 1 1 64 64 LEU HD22 H 1 -0.351 0.015 . . . . . . 64 L QQD . 17777 1
532 . 1 1 64 64 LEU HD23 H 1 -0.351 0.015 . . . . . . 64 L QQD . 17777 1
533 . 1 1 64 64 LEU CA C 13 50.557 0.000 . 1 . . . . 64 L CA . 17777 1
534 . 1 1 64 64 LEU CB C 13 40.231 0.037 . 1 . . . . 64 L CB . 17777 1
535 . 1 1 64 64 LEU CG C 13 24.795 0.021 . 1 . . . . 64 L CG . 17777 1
536 . 1 1 64 64 LEU CD1 C 13 18.945 0.000 . 2 . . . . 64 L CD1 . 17777 1
537 . 1 1 64 64 LEU CD2 C 13 18.947 0.000 . 2 . . . . 64 L CD2 . 17777 1
538 . 1 1 64 64 LEU N N 15 125.519 0.012 . 1 . . . . 64 L N . 17777 1
539 . 1 1 65 65 THR H H 1 8.890 0.001 . 1 . . . . 65 T HN . 17777 1
540 . 1 1 65 65 THR HA H 1 5.207 0.017 . 1 . . . . 65 T HA . 17777 1
541 . 1 1 65 65 THR HB H 1 3.864 0.004 . 1 . . . . 65 T HB . 17777 1
542 . 1 1 65 65 THR HG21 H 1 1.055 0.001 . . . . . . 65 T QG2 . 17777 1
543 . 1 1 65 65 THR HG22 H 1 1.055 0.001 . . . . . . 65 T QG2 . 17777 1
544 . 1 1 65 65 THR HG23 H 1 1.055 0.001 . . . . . . 65 T QG2 . 17777 1
545 . 1 1 65 65 THR CA C 13 57.572 0.099 . 1 . . . . 65 T CA . 17777 1
546 . 1 1 65 65 THR CB C 13 67.604 0.033 . 1 . . . . 65 T CB . 17777 1
547 . 1 1 65 65 THR CG2 C 13 18.790 0.000 . 1 . . . . 65 T CG2 . 17777 1
548 . 1 1 65 65 THR N N 15 123.575 0.017 . 1 . . . . 65 T N . 17777 1
549 . 1 1 66 66 ILE H H 1 8.582 0.008 . 1 . . . . 66 I HN . 17777 1
550 . 1 1 66 66 ILE HA H 1 4.763 0.000 . 1 . . . . 66 I HA . 17777 1
551 . 1 1 66 66 ILE HB H 1 1.811 0.012 . 1 . . . . 66 I HB . 17777 1
552 . 1 1 66 66 ILE HG12 H 1 0.961 0.142 . . . . . . 66 I QG1 . 17777 1
553 . 1 1 66 66 ILE HG13 H 1 0.961 0.142 . . . . . . 66 I QG1 . 17777 1
554 . 1 1 66 66 ILE HG21 H 1 0.766 0.012 . . . . . . 66 I QG2 . 17777 1
555 . 1 1 66 66 ILE HG22 H 1 0.766 0.012 . . . . . . 66 I QG2 . 17777 1
556 . 1 1 66 66 ILE HG23 H 1 0.766 0.012 . . . . . . 66 I QG2 . 17777 1
557 . 1 1 66 66 ILE HD11 H 1 0.393 0.012 . . . . . . 66 I QD1 . 17777 1
558 . 1 1 66 66 ILE HD12 H 1 0.393 0.012 . . . . . . 66 I QD1 . 17777 1
559 . 1 1 66 66 ILE HD13 H 1 0.393 0.012 . . . . . . 66 I QD1 . 17777 1
560 . 1 1 66 66 ILE CB C 13 36.687 0.000 . 1 . . . . 66 I CB . 17777 1
561 . 1 1 66 66 ILE CG2 C 13 13.608 0.038 . 1 . . . . 66 I CG2 . 17777 1
562 . 1 1 66 66 ILE CD1 C 13 11.790 0.120 . 1 . . . . 66 I CD1 . 17777 1
563 . 1 1 66 66 ILE N N 15 124.481 0.023 . 1 . . . . 66 I N . 17777 1
564 . 1 1 67 67 SER H H 1 8.787 0.003 . 1 . . . . 67 S HN . 17777 1
565 . 1 1 67 67 SER HA H 1 4.699 0.014 . 1 . . . . 67 S HA . 17777 1
566 . 1 1 67 67 SER HB2 H 1 4.328 0.000 . 2 . . . . 67 S HB2 . 17777 1
567 . 1 1 67 67 SER HB3 H 1 3.960 0.000 . 2 . . . . 67 S HB3 . 17777 1
568 . 1 1 67 67 SER N N 15 124.879 0.015 . 1 . . . . 67 S N . 17777 1
569 . 1 1 68 68 LYS H H 1 8.820 0.007 . 1 . . . . 68 K HN . 17777 1
570 . 1 1 68 68 LYS HA H 1 3.785 0.013 . 1 . . . . 68 K HA . 17777 1
571 . 1 1 68 68 LYS HB2 H 1 1.620 0.000 . 2 . . . . 68 K QB . 17777 1
572 . 1 1 68 68 LYS HB3 H 1 1.620 0.000 . 2 . . . . 68 K QB . 17777 1
573 . 1 1 68 68 LYS HG2 H 1 1.291 0.000 . 2 . . . . 68 K HG2 . 17777 1
574 . 1 1 68 68 LYS HG3 H 1 1.055 0.000 . 2 . . . . 68 K HG3 . 17777 1
575 . 1 1 68 68 LYS CA C 13 55.797 0.047 . 1 . . . . 68 K CA . 17777 1
576 . 1 1 68 68 LYS N N 15 119.038 0.004 . 1 . . . . 68 K N . 17777 1
577 . 1 1 69 69 ASP H H 1 7.771 0.001 . 1 . . . . 69 D HN . 17777 1
578 . 1 1 69 69 ASP HA H 1 4.640 0.000 . 1 . . . . 69 D HA . 17777 1
579 . 1 1 69 69 ASP HB2 H 1 2.656 0.000 . 2 . . . . 69 D HB2 . 17777 1
580 . 1 1 69 69 ASP HB3 H 1 2.556 0.000 . 2 . . . . 69 D HB3 . 17777 1
581 . 1 1 69 69 ASP N N 15 115.524 0.013 . 1 . . . . 69 D N . 17777 1
582 . 1 1 70 70 ASN H H 1 8.525 0.002 . 1 . . . . 70 N HN . 17777 1
583 . 1 1 70 70 ASN HA H 1 4.317 0.000 . 1 . . . . 70 N HA . 17777 1
584 . 1 1 70 70 ASN N N 15 112.965 0.020 . 1 . . . . 70 N N . 17777 1
585 . 1 1 71 71 ILE H H 1 7.443 0.003 . 1 . . . . 71 I HN . 17777 1
586 . 1 1 71 71 ILE HA H 1 4.140 0.000 . 1 . . . . 71 I HA . 17777 1
587 . 1 1 71 71 ILE HB H 1 1.813 0.000 . 1 . . . . 71 I HB . 17777 1
588 . 1 1 71 71 ILE HG12 H 1 1.280 0.024 . 2 . . . . 71 I HG12 . 17777 1
589 . 1 1 71 71 ILE HG21 H 1 0.743 0.005 . . . . . . 71 I QG2 . 17777 1
590 . 1 1 71 71 ILE HG22 H 1 0.743 0.005 . . . . . . 71 I QG2 . 17777 1
591 . 1 1 71 71 ILE HG23 H 1 0.743 0.005 . . . . . . 71 I QG2 . 17777 1
592 . 1 1 71 71 ILE HD11 H 1 0.743 0.005 . . . . . . 71 I QD1 . 17777 1
593 . 1 1 71 71 ILE HD12 H 1 0.743 0.005 . . . . . . 71 I QD1 . 17777 1
594 . 1 1 71 71 ILE HD13 H 1 0.743 0.005 . . . . . . 71 I QD1 . 17777 1
595 . 1 1 71 71 ILE N N 15 117.908 0.011 . 1 . . . . 71 I N . 17777 1
596 . 1 1 72 72 CYS H H 1 8.500 0.002 . 1 . . . . 72 C HN . 17777 1
597 . 1 1 72 72 CYS HA H 1 4.920 0.006 . 1 . . . . 72 C HA . 17777 1
598 . 1 1 72 72 CYS HB2 H 1 2.436 0.001 . 2 . . . . 72 C HB2 . 17777 1
599 . 1 1 72 72 CYS HB3 H 1 1.728 0.000 . 2 . . . . 72 C HB3 . 17777 1
600 . 1 1 72 72 CYS CB C 13 26.063 0.023 . 1 . . . . 72 C CB . 17777 1
601 . 1 1 72 72 CYS N N 15 127.450 0.012 . 1 . . . . 72 C N . 17777 1
602 . 1 1 73 73 GLN H H 1 8.494 0.008 . 1 . . . . 73 Q HN . 17777 1
603 . 1 1 73 73 GLN HA H 1 4.522 0.000 . 1 . . . . 73 Q HA . 17777 1
604 . 1 1 73 73 GLN HB2 H 1 1.905 0.000 . 2 . . . . 73 Q HB2 . 17777 1
605 . 1 1 73 73 GLN HB3 H 1 1.746 0.000 . 2 . . . . 73 Q HB3 . 17777 1
606 . 1 1 73 73 GLN HG2 H 1 2.085 0.000 . 2 . . . . 73 Q QG . 17777 1
607 . 1 1 73 73 GLN HG3 H 1 2.085 0.000 . 2 . . . . 73 Q QG . 17777 1
608 . 1 1 73 73 GLN HE21 H 1 7.373 0.000 . 2 . . . . 73 Q HE21 . 17777 1
609 . 1 1 73 73 GLN CB C 13 30.213 0.000 . 1 . . . . 73 Q CB . 17777 1
610 . 1 1 73 73 GLN N N 15 122.179 0.115 . 1 . . . . 73 Q N . 17777 1
611 . 1 1 74 74 PHE H H 1 9.307 0.001 . 1 . . . . 74 F HN . 17777 1
612 . 1 1 74 74 PHE HA H 1 5.566 0.008 . 1 . . . . 74 F HA . 17777 1
613 . 1 1 74 74 PHE HB2 H 1 2.673 0.010 . 2 . . . . 74 F HB2 . 17777 1
614 . 1 1 74 74 PHE HB3 H 1 2.248 0.007 . 2 . . . . 74 F HB3 . 17777 1
615 . 1 1 74 74 PHE HD1 H 1 6.891 0.021 . 3 . . . . 74 F QD . 17777 1
616 . 1 1 74 74 PHE HD2 H 1 6.891 0.021 . 3 . . . . 74 F QD . 17777 1
617 . 1 1 74 74 PHE CA C 13 53.704 0.006 . 1 . . . . 74 F CA . 17777 1
618 . 1 1 74 74 PHE CB C 13 39.254 0.136 . 1 . . . . 74 F CB . 17777 1
619 . 1 1 74 74 PHE CD1 C 13 130.01 0.000 . 3 . . . . 74 F CD1 . 17777 1
620 . 1 1 74 74 PHE N N 15 125.985 0.015 . 1 . . . . 74 F N . 17777 1
621 . 1 1 75 75 SER H H 1 9.315 0.001 . 1 . . . . 75 S HN . 17777 1
622 . 1 1 75 75 SER HA H 1 5.149 0.012 . 1 . . . . 75 S HA . 17777 1
623 . 1 1 75 75 SER HB2 H 1 3.605 0.012 . 2 . . . . 75 S HB2 . 17777 1
624 . 1 1 75 75 SER HB3 H 1 3.482 0.008 . 2 . . . . 75 S HB3 . 17777 1
625 . 1 1 75 75 SER CA C 13 54.382 0.004 . 1 . . . . 75 S CA . 17777 1
626 . 1 1 75 75 SER CB C 13 63.414 0.106 . 1 . . . . 75 S CB . 17777 1
627 . 1 1 75 75 SER N N 15 116.714 0.025 . 1 . . . . 75 S N . 17777 1
628 . 1 1 76 76 ASP H H 1 8.534 0.005 . 1 . . . . 76 D HN . 17777 1
629 . 1 1 76 76 ASP HA H 1 4.900 0.023 . 1 . . . . 76 D HA . 17777 1
630 . 1 1 76 76 ASP HB2 H 1 3.463 0.003 . 2 . . . . 76 D HB2 . 17777 1
631 . 1 1 76 76 ASP HB3 H 1 2.537 0.009 . 2 . . . . 76 D HB3 . 17777 1
632 . 1 1 76 76 ASP CA C 13 49.590 0.104 . 1 . . . . 76 D CA . 17777 1
633 . 1 1 76 76 ASP CB C 13 39.216 0.000 . 1 . . . . 76 D CB . 17777 1
634 . 1 1 76 76 ASP N N 15 120.484 0.057 . 1 . . . . 76 D N . 17777 1
635 . 1 1 77 77 GLU H H 1 8.596 0.002 . 1 . . . . 77 E HN . 17777 1
636 . 1 1 77 77 GLU HA H 1 4.124 0.005 . 1 . . . . 77 E HA . 17777 1
637 . 1 1 77 77 GLU HB2 H 1 2.198 0.008 . 2 . . . . 77 E QB . 17777 1
638 . 1 1 77 77 GLU HB3 H 1 2.198 0.008 . 2 . . . . 77 E QB . 17777 1
639 . 1 1 77 77 GLU HG2 H 1 2.350 0.004 . 2 . . . . 77 E QG . 17777 1
640 . 1 1 77 77 GLU HG3 H 1 2.350 0.004 . 2 . . . . 77 E QG . 17777 1
641 . 1 1 77 77 GLU CA C 13 56.242 0.057 . 1 . . . . 77 E CA . 17777 1
642 . 1 1 77 77 GLU N N 15 116.621 0.014 . 1 . . . . 77 E N . 17777 1
643 . 1 1 78 78 LYS H H 1 8.051 0.016 . 1 . . . . 78 K HN . 17777 1
644 . 1 1 78 78 LYS HA H 1 4.364 0.000 . 1 . . . . 78 K HA . 17777 1
645 . 1 1 78 78 LYS HB2 H 1 1.961 0.000 . 2 . . . . 78 K QB . 17777 1
646 . 1 1 78 78 LYS HB3 H 1 1.961 0.000 . 2 . . . . 78 K QB . 17777 1
647 . 1 1 78 78 LYS HG2 H 1 1.407 0.000 . 2 . . . . 78 K QG . 17777 1
648 . 1 1 78 78 LYS HG3 H 1 1.407 0.000 . 2 . . . . 78 K QG . 17777 1
649 . 1 1 78 78 LYS N N 15 118.118 0.023 . 1 . . . . 78 K N . 17777 1
650 . 1 1 79 79 GLY H H 1 8.120 0.012 . 1 . . . . 79 G HN . 17777 1
651 . 1 1 79 79 GLY HA2 H 1 3.607 0.000 . . . . . . 79 G HA1 . 17777 1
652 . 1 1 79 79 GLY HA3 H 1 4.073 0.000 . 2 . . . . 79 G HA2 . 17777 1
653 . 1 1 79 79 GLY N N 15 108.907 0.003 . 1 . . . . 79 G N . 17777 1
654 . 1 1 80 80 GLU H H 1 8.423 0.000 . 1 . . . . 80 E HN . 17777 1
655 . 1 1 80 80 GLU N N 15 122.795 0.009 . 1 . . . . 80 E N . 17777 1
656 . 1 1 81 81 GLN H H 1 8.533 0.003 . 1 . . . . 81 Q HN . 17777 1
657 . 1 1 81 81 GLN HA H 1 4.298 0.016 . 1 . . . . 81 Q HA . 17777 1
658 . 1 1 81 81 GLN HB2 H 1 1.913 0.000 . 2 . . . . 81 Q QB . 17777 1
659 . 1 1 81 81 GLN HB3 H 1 1.913 0.000 . 2 . . . . 81 Q QB . 17777 1
660 . 1 1 81 81 GLN HG2 H 1 2.257 0.000 . 2 . . . . 81 Q QG . 17777 1
661 . 1 1 81 81 GLN HG3 H 1 2.257 0.000 . 2 . . . . 81 Q QG . 17777 1
662 . 1 1 81 81 GLN CA C 13 53.703 0.000 . 1 . . . . 81 Q CA . 17777 1
663 . 1 1 81 81 GLN N N 15 123.093 0.009 . 1 . . . . 81 Q N . 17777 1
664 . 1 1 82 82 ILE H H 1 8.008 0.005 . 1 . . . . 82 I HN . 17777 1
665 . 1 1 82 82 ILE HA H 1 3.931 0.000 . 1 . . . . 82 I HA . 17777 1
666 . 1 1 82 82 ILE HB H 1 1.044 0.029 . 1 . . . . 82 I HB . 17777 1
667 . 1 1 82 82 ILE HG12 H 1 1.233 0.013 . 2 . . . . 82 I HG12 . 17777 1
668 . 1 1 82 82 ILE HG13 H 1 0.888 0.000 . 2 . . . . 82 I HG13 . 17777 1
669 . 1 1 82 82 ILE HG21 H 1 0.075 0.004 . . . . . . 82 I QG2 . 17777 1
670 . 1 1 82 82 ILE HG22 H 1 0.075 0.004 . . . . . . 82 I QG2 . 17777 1
671 . 1 1 82 82 ILE HG23 H 1 0.075 0.004 . . . . . . 82 I QG2 . 17777 1
672 . 1 1 82 82 ILE HD11 H 1 0.374 0.015 . . . . . . 82 I QD1 . 17777 1
673 . 1 1 82 82 ILE HD12 H 1 0.374 0.015 . . . . . . 82 I QD1 . 17777 1
674 . 1 1 82 82 ILE HD13 H 1 0.374 0.015 . . . . . . 82 I QD1 . 17777 1
675 . 1 1 82 82 ILE CB C 13 36.745 0.038 . 1 . . . . 82 I CB . 17777 1
676 . 1 1 82 82 ILE CG1 C 13 24.675 0.000 . 1 . . . . 82 I CG1 . 17777 1
677 . 1 1 82 82 ILE CG2 C 13 13.373 0.052 . 1 . . . . 82 I CG2 . 17777 1
678 . 1 1 82 82 ILE CD1 C 13 11.349 0.043 . 1 . . . . 82 I CD1 . 17777 1
679 . 1 1 82 82 ILE N N 15 126.444 0.016 . 1 . . . . 82 I N . 17777 1
680 . 1 1 83 83 ASP H H 1 8.387 0.001 . 1 . . . . 83 D HN . 17777 1
681 . 1 1 83 83 ASP HA H 1 4.565 0.000 . 1 . . . . 83 D HA . 17777 1
682 . 1 1 83 83 ASP HB2 H 1 2.577 0.000 . 2 . . . . 83 D HB2 . 17777 1
683 . 1 1 83 83 ASP HB3 H 1 2.472 0.000 . 2 . . . . 83 D HB3 . 17777 1
684 . 1 1 83 83 ASP N N 15 126.846 0.025 . 1 . . . . 83 D N . 17777 1
685 . 1 1 84 84 ILE H H 1 8.094 0.002 . 1 . . . . 84 I HN . 17777 1
686 . 1 1 84 84 ILE HA H 1 4.279 0.000 . 1 . . . . 84 I HA . 17777 1
687 . 1 1 84 84 ILE HB H 1 1.672 0.024 . 1 . . . . 84 I HB . 17777 1
688 . 1 1 84 84 ILE HG12 H 1 1.217 0.000 . 2 . . . . 84 I HG12 . 17777 1
689 . 1 1 84 84 ILE HG13 H 1 1.026 0.000 . 2 . . . . 84 I HG13 . 17777 1
690 . 1 1 84 84 ILE HG21 H 1 0.630 0.002 . . . . . . 84 I QG2 . 17777 1
691 . 1 1 84 84 ILE HG22 H 1 0.630 0.002 . . . . . . 84 I QG2 . 17777 1
692 . 1 1 84 84 ILE HG23 H 1 0.630 0.002 . . . . . . 84 I QG2 . 17777 1
693 . 1 1 84 84 ILE HD11 H 1 0.606 0.009 . . . . . . 84 I QD1 . 17777 1
694 . 1 1 84 84 ILE HD12 H 1 0.606 0.009 . . . . . . 84 I QD1 . 17777 1
695 . 1 1 84 84 ILE HD13 H 1 0.606 0.009 . . . . . . 84 I QD1 . 17777 1
696 . 1 1 84 84 ILE CG2 C 13 14.852 0.000 . 1 . . . . 84 I CG2 . 17777 1
697 . 1 1 84 84 ILE CD1 C 13 11.068 0.050 . 1 . . . . 84 I CD1 . 17777 1
698 . 1 1 84 84 ILE N N 15 120.975 0.018 . 1 . . . . 84 I N . 17777 1
699 . 1 1 85 85 ASN H H 1 8.763 0.002 . 1 . . . . 85 N HN . 17777 1
700 . 1 1 85 85 ASN HA H 1 4.718 0.000 . 1 . . . . 85 N HA . 17777 1
701 . 1 1 85 85 ASN HB2 H 1 3.041 0.000 . 2 . . . . 85 N HB2 . 17777 1
702 . 1 1 85 85 ASN HB3 H 1 2.924 0.000 . 2 . . . . 85 N HB3 . 17777 1
703 . 1 1 85 85 ASN N N 15 123.363 0.032 . 1 . . . . 85 N N . 17777 1
704 . 1 1 86 86 SER H H 1 8.727 0.003 . 1 . . . . 86 S HN . 17777 1
705 . 1 1 86 86 SER N N 15 120.558 0.007 . 1 . . . . 86 S N . 17777 1
706 . 1 1 87 87 GLN H H 1 8.143 0.001 . 1 . . . . 87 Q HN . 17777 1
707 . 1 1 87 87 GLN HA H 1 4.050 0.000 . 1 . . . . 87 Q HA . 17777 1
708 . 1 1 87 87 GLN HG2 H 1 2.028 0.000 . 2 . . . . 87 Q HG2 . 17777 1
709 . 1 1 87 87 GLN N N 15 120.972 0.000 . 1 . . . . 87 Q N . 17777 1
710 . 1 1 88 88 PHE H H 1 7.676 0.003 . 1 . . . . 88 F HN . 17777 1
711 . 1 1 88 88 PHE HA H 1 4.687 0.000 . 1 . . . . 88 F HA . 17777 1
712 . 1 1 88 88 PHE HB3 H 1 2.785 0.000 . 2 . . . . 88 F HB3 . 17777 1
713 . 1 1 88 88 PHE HD1 H 1 7.163 0.000 . 3 . . . . 88 F QD . 17777 1
714 . 1 1 88 88 PHE HD2 H 1 7.163 0.000 . 3 . . . . 88 F QD . 17777 1
715 . 1 1 88 88 PHE N N 15 115.532 0.009 . 1 . . . . 88 F N . 17777 1
716 . 1 1 89 89 ASN H H 1 8.468 0.003 . 1 . . . . 89 N HN . 17777 1
717 . 1 1 89 89 ASN HA H 1 4.493 0.000 . 1 . . . . 89 N HA . 17777 1
718 . 1 1 89 89 ASN HB2 H 1 3.274 0.008 . 2 . . . . 89 N HB2 . 17777 1
719 . 1 1 89 89 ASN HB3 H 1 3.146 0.130 . 2 . . . . 89 N HB3 . 17777 1
720 . 1 1 89 89 ASN CB C 13 35.098 0.044 . 1 . . . . 89 N CB . 17777 1
721 . 1 1 89 89 ASN N N 15 118.545 0.073 . 1 . . . . 89 N N . 17777 1
722 . 1 1 90 90 SER H H 1 7.537 0.008 . 1 . . . . 90 S HN . 17777 1
723 . 1 1 90 90 SER HA H 1 5.573 0.023 . 1 . . . . 90 S HA . 17777 1
724 . 1 1 90 90 SER HB2 H 1 3.544 0.004 . 2 . . . . 90 S HB2 . 17777 1
725 . 1 1 90 90 SER HB3 H 1 3.469 0.006 . 2 . . . . 90 S HB3 . 17777 1
726 . 1 1 90 90 SER CA C 13 53.742 0.000 . 1 . . . . 90 S CA . 17777 1
727 . 1 1 90 90 SER CB C 13 64.543 0.077 . 1 . . . . 90 S CB . 17777 1
728 . 1 1 90 90 SER N N 15 110.305 0.069 . 1 . . . . 90 S N . 17777 1
729 . 1 1 91 91 PHE H H 1 8.489 0.001 . 1 . . . . 91 F HN . 17777 1
730 . 1 1 91 91 PHE HA H 1 4.854 0.000 . 1 . . . . 91 F HA . 17777 1
731 . 1 1 91 91 PHE HB2 H 1 2.931 0.008 . 2 . . . . 91 F HB2 . 17777 1
732 . 1 1 91 91 PHE HB3 H 1 3.081 0.000 . 2 . . . . 91 F HB3 . 17777 1
733 . 1 1 91 91 PHE HD1 H 1 6.587 0.007 . 3 . . . . 91 F QD . 17777 1
734 . 1 1 91 91 PHE HD2 H 1 6.587 0.007 . 3 . . . . 91 F QD . 17777 1
735 . 1 1 91 91 PHE HE1 H 1 5.973 0.006 . 3 . . . . 91 F QE . 17777 1
736 . 1 1 91 91 PHE HE2 H 1 5.973 0.006 . 3 . . . . 91 F QE . 17777 1
737 . 1 1 91 91 PHE CD1 C 13 129.36 0.000 . 3 . . . . 91 F CD1 . 17777 1
738 . 1 1 91 91 PHE N N 15 116.509 0.020 . 1 . . . . 91 F N . 17777 1
739 . 1 1 92 92 GLU H H 1 8.540 0.002 . 1 . . . . 92 E HN . 17777 1
740 . 1 1 92 92 GLU HA H 1 5.346 0.009 . 1 . . . . 92 E HA . 17777 1
741 . 1 1 92 92 GLU HB2 H 1 1.829 0.007 . 2 . . . . 92 E QB . 17777 1
742 . 1 1 92 92 GLU HB3 H 1 1.829 0.007 . 2 . . . . 92 E QB . 17777 1
743 . 1 1 92 92 GLU HG2 H 1 2.013 0.013 . 2 . . . . 92 E QG . 17777 1
744 . 1 1 92 92 GLU HG3 H 1 2.013 0.013 . 2 . . . . 92 E QG . 17777 1
745 . 1 1 92 92 GLU CA C 13 51.709 0.014 . 1 . . . . 92 E CA . 17777 1
746 . 1 1 92 92 GLU CB C 13 30.203 0.011 . 1 . . . . 92 E CB . 17777 1
747 . 1 1 92 92 GLU CG C 13 33.704 0.003 . 1 . . . . 92 E CG . 17777 1
748 . 1 1 92 92 GLU N N 15 120.099 0.010 . 1 . . . . 92 E N . 17777 1
749 . 1 1 93 93 TYR H H 1 9.114 0.010 . 1 . . . . 93 Y HN . 17777 1
750 . 1 1 93 93 TYR HA H 1 4.543 0.006 . 1 . . . . 93 Y HA . 17777 1
751 . 1 1 93 93 TYR HB2 H 1 3.093 0.006 . 2 . . . . 93 Y HB2 . 17777 1
752 . 1 1 93 93 TYR HB3 H 1 2.845 0.002 . 2 . . . . 93 Y HB3 . 17777 1
753 . 1 1 93 93 TYR HD1 H 1 7.015 0.021 . 3 . . . . 93 Y QD . 17777 1
754 . 1 1 93 93 TYR HD2 H 1 7.015 0.021 . 3 . . . . 93 Y QD . 17777 1
755 . 1 1 93 93 TYR HE1 H 1 6.760 0.000 . 3 . . . . 93 Y QE . 17777 1
756 . 1 1 93 93 TYR HE2 H 1 6.760 0.000 . 3 . . . . 93 Y QE . 17777 1
757 . 1 1 93 93 TYR N N 15 125.415 0.031 . 1 . . . . 93 Y N . 17777 1
758 . 1 1 94 94 ASP H H 1 8.765 0.008 . 1 . . . . 94 D HN . 17777 1
759 . 1 1 94 94 ASP HB2 H 1 2.910 0.004 . 2 . . . . 94 D HB2 . 17777 1
760 . 1 1 94 94 ASP HB3 H 1 2.324 0.342 . 2 . . . . 94 D HB3 . 17777 1
761 . 1 1 94 94 ASP CB C 13 36.848 0.147 . 1 . . . . 94 D CB . 17777 1
762 . 1 1 94 94 ASP N N 15 127.466 0.092 . 1 . . . . 94 D N . 17777 1
763 . 1 1 95 95 GLY H H 1 8.477 0.001 . 1 . . . . 95 G HN . 17777 1
764 . 1 1 95 95 GLY HA2 H 1 3.518 0.000 . 2 . . . . 95 G HA2 . 17777 1
765 . 1 1 95 95 GLY N N 15 103.962 0.006 . 1 . . . . 95 G N . 17777 1
766 . 1 1 96 96 ILE H H 1 8.039 0.002 . 1 . . . . 96 I HN . 17777 1
767 . 1 1 96 96 ILE HA H 1 3.988 0.008 . 1 . . . . 96 I HA . 17777 1
768 . 1 1 96 96 ILE HB H 1 1.948 0.019 . 1 . . . . 96 I HB . 17777 1
769 . 1 1 96 96 ILE HG12 H 1 1.608 0.034 . 2 . . . . 96 I HG12 . 17777 1
770 . 1 1 96 96 ILE HG13 H 1 0.888 0.002 . 2 . . . . 96 I HG13 . 17777 1
771 . 1 1 96 96 ILE HG21 H 1 0.092 0.011 . . . . . . 96 I QG2 . 17777 1
772 . 1 1 96 96 ILE HG22 H 1 0.092 0.011 . . . . . . 96 I QG2 . 17777 1
773 . 1 1 96 96 ILE HG23 H 1 0.092 0.011 . . . . . . 96 I QG2 . 17777 1
774 . 1 1 96 96 ILE HD11 H 1 0.880 0.015 . . . . . . 96 I QD1 . 17777 1
775 . 1 1 96 96 ILE HD12 H 1 0.880 0.015 . . . . . . 96 I QD1 . 17777 1
776 . 1 1 96 96 ILE HD13 H 1 0.880 0.015 . . . . . . 96 I QD1 . 17777 1
777 . 1 1 96 96 ILE CA C 13 57.908 0.000 . 1 . . . . 96 I CA . 17777 1
778 . 1 1 96 96 ILE CB C 13 36.197 0.000 . 1 . . . . 96 I CB . 17777 1
779 . 1 1 96 96 ILE CG1 C 13 24.917 0.015 . 1 . . . . 96 I CG1 . 17777 1
780 . 1 1 96 96 ILE CG2 C 13 16.001 0.030 . 1 . . . . 96 I CG2 . 17777 1
781 . 1 1 96 96 ILE CD1 C 13 11.451 0.012 . 1 . . . . 96 I CD1 . 17777 1
782 . 1 1 96 96 ILE N N 15 123.977 0.027 . 1 . . . . 96 I N . 17777 1
783 . 1 1 97 97 SER H H 1 8.042 0.006 . 1 . . . . 97 S HN . 17777 1
784 . 1 1 97 97 SER HA H 1 4.815 0.006 . 1 . . . . 97 S HA . 17777 1
785 . 1 1 97 97 SER HB2 H 1 3.636 0.006 . 2 . . . . 97 S QB . 17777 1
786 . 1 1 97 97 SER HB3 H 1 3.636 0.006 . 2 . . . . 97 S QB . 17777 1
787 . 1 1 97 97 SER CA C 13 54.420 0.033 . 1 . . . . 97 S CA . 17777 1
788 . 1 1 97 97 SER CB C 13 61.793 0.012 . 1 . . . . 97 S CB . 17777 1
789 . 1 1 97 97 SER N N 15 119.722 0.061 . 1 . . . . 97 S N . 17777 1
790 . 1 1 98 98 PHE H H 1 8.582 0.002 . 1 . . . . 98 F HN . 17777 1
791 . 1 1 98 98 PHE HA H 1 5.037 0.015 . 1 . . . . 98 F HA . 17777 1
792 . 1 1 98 98 PHE HB2 H 1 1.502 0.005 . 2 . . . . 98 F HB2 . 17777 1
793 . 1 1 98 98 PHE HB3 H 1 2.107 0.009 . 2 . . . . 98 F HB3 . 17777 1
794 . 1 1 98 98 PHE HD1 H 1 6.635 0.014 . 3 . . . . 98 F QD . 17777 1
795 . 1 1 98 98 PHE HD2 H 1 6.635 0.014 . 3 . . . . 98 F QD . 17777 1
796 . 1 1 98 98 PHE HE1 H 1 6.974 0.108 . 3 . . . . 98 F QE . 17777 1
797 . 1 1 98 98 PHE HE2 H 1 6.974 0.108 . 3 . . . . 98 F QE . 17777 1
798 . 1 1 98 98 PHE CA C 13 53.790 0.057 . 1 . . . . 98 F CA . 17777 1
799 . 1 1 98 98 PHE CD1 C 13 129.71 0.035 . 3 . . . . 98 F CD1 . 17777 1
800 . 1 1 98 98 PHE CE1 C 13 127.59 0.042 . 3 . . . . 98 F CE1 . 17777 1
801 . 1 1 98 98 PHE N N 15 123.561 0.068 . 1 . . . . 98 F N . 17777 1
802 . 1 1 99 99 HIS H H 1 9.095 0.002 . 1 . . . . 99 H HN . 17777 1
803 . 1 1 99 99 HIS HA H 1 5.121 0.025 . 1 . . . . 99 H HA . 17777 1
804 . 1 1 99 99 HIS HB2 H 1 3.084 0.013 . 2 . . . . 99 H QB . 17777 1
805 . 1 1 99 99 HIS HB3 H 1 3.084 0.013 . 2 . . . . 99 H QB . 17777 1
806 . 1 1 99 99 HIS HD2 H 1 6.777 0.044 . 1 . . . . 99 H HD2 . 17777 1
807 . 1 1 99 99 HIS CB C 13 29.723 0.027 . 1 . . . . 99 H CB . 17777 1
808 . 1 1 99 99 HIS CD2 C 13 118.876 0.036 . 1 . . . . 99 H CD2 . 17777 1
809 . 1 1 99 99 HIS N N 15 119.438 0.009 . 1 . . . . 99 H N . 17777 1
810 . 1 1 100 100 LEU H H 1 8.640 0.001 . 1 . . . . 100 L HN . 17777 1
811 . 1 1 100 100 LEU HA H 1 4.856 0.006 . 1 . . . . 100 L HA . 17777 1
812 . 1 1 100 100 LEU HB2 H 1 1.793 0.004 . 2 . . . . 100 L HB2 . 17777 1
813 . 1 1 100 100 LEU HB3 H 1 1.377 0.000 . 2 . . . . 100 L HB3 . 17777 1
814 . 1 1 100 100 LEU HD11 H 1 0.685 0.010 . . . . . . 100 L QQD . 17777 1
815 . 1 1 100 100 LEU HD12 H 1 0.685 0.010 . . . . . . 100 L QQD . 17777 1
816 . 1 1 100 100 LEU HD13 H 1 0.685 0.010 . . . . . . 100 L QQD . 17777 1
817 . 1 1 100 100 LEU HD21 H 1 0.685 0.010 . . . . . . 100 L QQD . 17777 1
818 . 1 1 100 100 LEU HD22 H 1 0.685 0.010 . . . . . . 100 L QQD . 17777 1
819 . 1 1 100 100 LEU HD23 H 1 0.685 0.010 . . . . . . 100 L QQD . 17777 1
820 . 1 1 100 100 LEU CB C 13 41.223 0.000 . 1 . . . . 100 L CB . 17777 1
821 . 1 1 100 100 LEU CD1 C 13 22.783 0.000 . 2 . . . . 100 L CD1 . 17777 1
822 . 1 1 100 100 LEU N N 15 127.001 0.009 . 1 . . . . 100 L N . 17777 1
823 . 1 1 101 101 LYS H H 1 9.141 0.001 . 1 . . . . 101 K HN . 17777 1
824 . 1 1 101 101 LYS N N 15 127.328 0.044 . 1 . . . . 101 K N . 17777 1
825 . 1 1 102 102 ASN HA H 1 4.590 0.004 . 1 . . . . 102 N HA . 17777 1
826 . 1 1 102 102 ASN CA C 13 50.310 0.000 . 1 . . . . 102 N CA . 17777 1
827 . 1 1 103 103 MET H H 1 7.942 0.000 . 1 . . . . 103 M HN . 17777 1
828 . 1 1 103 103 MET N N 15 122.351 0.000 . 1 . . . . 103 M N . 17777 1
829 . 1 1 105 105 GLU HA H 1 4.213 0.000 . 1 . . . . 105 E HA . 17777 1
830 . 1 1 106 106 ASP H H 1 8.291 0.011 . 1 . . . . 106 D HN . 17777 1
831 . 1 1 106 106 ASP HA H 1 4.547 0.000 . 1 . . . . 106 D HA . 17777 1
832 . 1 1 106 106 ASP N N 15 122.018 0.000 . 1 . . . . 106 D N . 17777 1
833 . 1 1 107 107 LYS H H 1 7.712 0.002 . 1 . . . . 107 K HN . 17777 1
834 . 1 1 107 107 LYS N N 15 126.005 0.000 . 1 . . . . 107 K N . 17777 1
stop_
save_