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 16466
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 16466 1
2 '2D 1H-1H TOCSY' . . . 16466 1
3 '2D DQF-COSY' . . . 16466 1
4 '2D 1H-1H NOESY' . . . 16466 1
5 '3D HNHA' . . . 16466 1
6 '3D 1H-15N NOESY' . . . 16466 1
7 '3D 1H-15N TOCSY' . . . 16466 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 SER H H 1 8.397 0.000 . 1 . . . . 1 S HN . 16466 1
2 . 1 1 1 1 SER HA H 1 4.250 0.033 . 1 . . . . 1 S HA . 16466 1
3 . 1 1 1 1 SER HB2 H 1 4.777 0.019 . 2 . . . . 1 S HB2 . 16466 1
4 . 1 1 1 1 SER N N 15 123.564 0.122 . 1 . . . . 1 S N . 16466 1
5 . 1 1 2 2 ASN H H 1 8.147 0.002 . 1 . . . . 2 N HN . 16466 1
6 . 1 1 2 2 ASN HA H 1 4.619 0.019 . 1 . . . . 2 N HA . 16466 1
7 . 1 1 2 2 ASN HB2 H 1 2.661 0.045 . 2 . . . . 2 N HB2 . 16466 1
8 . 1 1 2 2 ASN HD21 H 1 6.878 0.004 . 2 . . . . 2 N HD21 . 16466 1
9 . 1 1 2 2 ASN HD22 H 1 7.519 0.001 . 2 . . . . 2 N HD22 . 16466 1
10 . 1 1 2 2 ASN N N 15 117.923 0.165 . 1 . . . . 2 N N . 16466 1
11 . 1 1 2 2 ASN ND2 N 15 112.241 0.120 . 1 . . . . 2 N ND2 . 16466 1
12 . 1 1 3 3 ALA H H 1 8.340 0.001 . 1 . . . . 3 A HN . 16466 1
13 . 1 1 3 3 ALA HA H 1 4.234 0.005 . 1 . . . . 3 A HA . 16466 1
14 . 1 1 3 3 ALA HB1 H 1 1.350 0.005 . 1 . . . . 3 A HB . 16466 1
15 . 1 1 3 3 ALA HB2 H 1 1.350 0.005 . 1 . . . . 3 A HB . 16466 1
16 . 1 1 3 3 ALA HB3 H 1 1.350 0.005 . 1 . . . . 3 A HB . 16466 1
17 . 1 1 3 3 ALA N N 15 124.095 0.136 . 1 . . . . 3 A N . 16466 1
18 . 1 1 4 4 ASP H H 1 8.408 0.001 . 1 . . . . 4 D HN . 16466 1
19 . 1 1 4 4 ASP HA H 1 4.825 0.016 . 1 . . . . 4 D HA . 16466 1
20 . 1 1 4 4 ASP HB2 H 1 2.412 0.016 . 2 . . . . 4 D HB2 . 16466 1
21 . 1 1 4 4 ASP HB3 H 1 2.958 0.021 . 2 . . . . 4 D HB3 . 16466 1
22 . 1 1 4 4 ASP N N 15 120.996 0.170 . 1 . . . . 4 D N . 16466 1
23 . 1 1 5 5 CYS H H 1 8.035 0.001 . 1 . . . . 5 C HN . 16466 1
24 . 1 1 5 5 CYS HA H 1 4.947 0.000 . 1 . . . . 5 C HA . 16466 1
25 . 1 1 5 5 CYS HB2 H 1 2.908 0.001 . 2 . . . . 5 C HB2 . 16466 1
26 . 1 1 5 5 CYS N N 15 118.050 0.146 . 1 . . . . 5 C N . 16466 1
27 . 1 1 6 6 MET H H 1 9.169 0.001 . 1 . . . . 6 M HN . 16466 1
28 . 1 1 6 6 MET HA H 1 5.097 0.001 . 1 . . . . 6 M HA . 16466 1
29 . 1 1 6 6 MET HB2 H 1 1.380 0.013 . 2 . . . . 6 M HB2 . 16466 1
30 . 1 1 6 6 MET HB3 H 1 2.103 0.006 . 2 . . . . 6 M HB3 . 16466 1
31 . 1 1 6 6 MET N N 15 117.506 0.006 . 1 . . . . 6 M N . 16466 1
32 . 1 1 7 7 PHE H H 1 9.290 0.002 . 1 . . . . 7 F HN . 16466 1
33 . 1 1 7 7 PHE HA H 1 4.961 0.004 . 1 . . . . 7 F HA . 16466 1
34 . 1 1 7 7 PHE HB2 H 1 2.847 0.001 . 2 . . . . 7 F HB2 . 16466 1
35 . 1 1 7 7 PHE HB3 H 1 3.122 0.004 . 2 . . . . 7 F HB3 . 16466 1
36 . 1 1 7 7 PHE HD1 H 1 7.305 0.016 . 3 . . . . 7 F QD . 16466 1
37 . 1 1 7 7 PHE HD2 H 1 7.305 0.016 . 3 . . . . 7 F QD . 16466 1
38 . 1 1 7 7 PHE HE1 H 1 7.246 0.001 . 3 . . . . 7 F QE . 16466 1
39 . 1 1 7 7 PHE HE2 H 1 7.246 0.001 . 3 . . . . 7 F QE . 16466 1
40 . 1 1 7 7 PHE HZ H 1 7.149 0.001 . 1 . . . . 7 F HZ . 16466 1
41 . 1 1 7 7 PHE N N 15 119.609 0.054 . 1 . . . . 7 F N . 16466 1
42 . 1 1 8 8 GLY H H 1 9.314 0.003 . 1 . . . . 8 G HN . 16466 1
43 . 1 1 8 8 GLY HA2 H 1 3.817 0.001 . . . . . . 8 G HA1 . 16466 1
44 . 1 1 8 8 GLY HA3 H 1 4.038 0.011 . 2 . . . . 8 G HA2 . 16466 1
45 . 1 1 8 8 GLY N N 15 115.285 0.028 . 1 . . . . 8 G N . 16466 1
46 . 1 1 9 9 ASN H H 1 8.563 0.003 . 1 . . . . 9 N HN . 16466 1
47 . 1 1 9 9 ASN HA H 1 4.788 0.002 . 1 . . . . 9 N HA . 16466 1
48 . 1 1 9 9 ASN HB2 H 1 2.828 0.007 . 2 . . . . 9 N HB2 . 16466 1
49 . 1 1 9 9 ASN HB3 H 1 3.044 0.006 . 2 . . . . 9 N HB3 . 16466 1
50 . 1 1 9 9 ASN HD21 H 1 6.825 0.001 . 2 . . . . 9 N HD21 . 16466 1
51 . 1 1 9 9 ASN HD22 H 1 6.878 0.001 . 2 . . . . 9 N HD22 . 16466 1
52 . 1 1 9 9 ASN N N 15 121.190 0.035 . 1 . . . . 9 N N . 16466 1
53 . 1 1 9 9 ASN ND2 N 15 109.608 0.035 . 1 . . . . 9 N ND2 . 16466 1
54 . 1 1 10 10 GLY H H 1 8.650 0.002 . 1 . . . . 10 G HN . 16466 1
55 . 1 1 10 10 GLY HA2 H 1 3.972 0.010 . . . . . . 10 G HA1 . 16466 1
56 . 1 1 10 10 GLY HA3 H 1 4.244 0.000 . 2 . . . . 10 G HA2 . 16466 1
57 . 1 1 10 10 GLY N N 15 104.975 0.034 . 1 . . . . 10 G N . 16466 1
58 . 1 1 11 11 LYS H H 1 8.616 0.001 . 1 . . . . 11 K HN . 16466 1
59 . 1 1 11 11 LYS HA H 1 4.400 0.001 . 1 . . . . 11 K HA . 16466 1
60 . 1 1 11 11 LYS HB2 H 1 1.932 0.001 . 2 . . . . 11 K HB2 . 16466 1
61 . 1 1 11 11 LYS HD2 H 1 1.777 0.001 . 2 . . . . 11 K HD2 . 16466 1
62 . 1 1 11 11 LYS HG2 H 1 1.645 0.023 . 2 . . . . 11 K HG2 . 16466 1
63 . 1 1 11 11 LYS N N 15 124.787 0.146 . 1 . . . . 11 K N . 16466 1
64 . 1 1 12 12 GLY H H 1 8.674 0.001 . 1 . . . . 12 G HN . 16466 1
65 . 1 1 12 12 GLY HA2 H 1 3.717 0.005 . . . . . . 12 G HA1 . 16466 1
66 . 1 1 12 12 GLY HA3 H 1 4.254 0.001 . 2 . . . . 12 G HA2 . 16466 1
67 . 1 1 12 12 GLY N N 15 102.671 0.163 . 1 . . . . 12 G N . 16466 1
68 . 1 1 13 13 TYR H H 1 7.632 0.001 . 1 . . . . 13 Y HN . 16466 1
69 . 1 1 13 13 TYR HA H 1 4.456 0.001 . 1 . . . . 13 Y HA . 16466 1
70 . 1 1 13 13 TYR HB2 H 1 3.357 0.274 . 2 . . . . 13 Y HB2 . 16466 1
71 . 1 1 13 13 TYR HB3 H 1 3.192 0.047 . 2 . . . . 13 Y HB3 . 16466 1
72 . 1 1 13 13 TYR HD1 H 1 7.250 0.012 . 3 . . . . 13 Y QD . 16466 1
73 . 1 1 13 13 TYR HD2 H 1 7.250 0.012 . 3 . . . . 13 Y QD . 16466 1
74 . 1 1 13 13 TYR HE1 H 1 6.896 0.014 . 3 . . . . 13 Y QE . 16466 1
75 . 1 1 13 13 TYR HE2 H 1 6.896 0.014 . 3 . . . . 13 Y QE . 16466 1
76 . 1 1 13 13 TYR N N 15 120.588 0.161 . 1 . . . . 13 Y N . 16466 1
77 . 1 1 14 14 ARG H H 1 9.249 0.002 . 1 . . . . 14 R HN . 16466 1
78 . 1 1 14 14 ARG HA H 1 4.109 0.006 . 1 . . . . 14 R HA . 16466 1
79 . 1 1 14 14 ARG HB2 H 1 1.954 0.005 . 2 . . . . 14 R HB2 . 16466 1
80 . 1 1 14 14 ARG HE H 1 6.906 0.003 . 1 . . . . 14 R HE . 16466 1
81 . 1 1 14 14 ARG HG2 H 1 1.490 0.023 . 2 . . . . 14 R HG2 . 16466 1
82 . 1 1 14 14 ARG N N 15 131.346 0.029 . 1 . . . . 14 R N . 16466 1
83 . 1 1 14 14 ARG NE N 15 104.870 0.066 . 1 . . . . 14 R NE . 16466 1
84 . 1 1 15 15 GLY H H 1 4.280 0.006 . 1 . . . . 15 G HN . 16466 1
85 . 1 1 15 15 GLY HA2 H 1 3.509 0.025 . . . . . . 15 G HA1 . 16466 1
86 . 1 1 15 15 GLY HA3 H 1 3.709 0.010 . 2 . . . . 15 G HA2 . 16466 1
87 . 1 1 15 15 GLY N N 15 104.876 0.029 . 1 . . . . 15 G N . 16466 1
88 . 1 1 16 16 LYS H H 1 8.781 0.000 . 1 . . . . 16 K HN . 16466 1
89 . 1 1 16 16 LYS HA H 1 4.167 0.011 . 1 . . . . 16 K HA . 16466 1
90 . 1 1 16 16 LYS HB2 H 1 1.187 0.001 . 2 . . . . 16 K HB2 . 16466 1
91 . 1 1 16 16 LYS HB3 H 1 2.036 0.001 . 2 . . . . 16 K HB3 . 16466 1
92 . 1 1 16 16 LYS HD2 H 1 0.698 0.006 . 2 . . . . 16 K HD2 . 16466 1
93 . 1 1 16 16 LYS HE2 H 1 2.926 0.031 . 2 . . . . 16 K HE2 . 16466 1
94 . 1 1 16 16 LYS HG2 H 1 1.486 0.001 . 2 . . . . 16 K HG2 . 16466 1
95 . 1 1 16 16 LYS N N 15 116.399 0.008 . 1 . . . . 16 K N . 16466 1
96 . 1 1 17 17 ARG H H 1 7.493 0.000 . 1 . . . . 17 R HN . 16466 1
97 . 1 1 17 17 ARG HA H 1 4.360 0.000 . 1 . . . . 17 R HA . 16466 1
98 . 1 1 17 17 ARG HB2 H 1 1.791 0.000 . 2 . . . . 17 R HB2 . 16466 1
99 . 1 1 17 17 ARG HB3 H 1 2.093 0.003 . 2 . . . . 17 R HB3 . 16466 1
100 . 1 1 17 17 ARG HD2 H 1 3.545 0.011 . 2 . . . . 17 R HD2 . 16466 1
101 . 1 1 17 17 ARG HD3 H 1 4.159 0.005 . 2 . . . . 17 R HD3 . 16466 1
102 . 1 1 17 17 ARG HE H 1 8.336 0.004 . 1 . . . . 17 R HE . 16466 1
103 . 1 1 17 17 ARG HG2 H 1 1.282 0.011 . 2 . . . . 17 R HG2 . 16466 1
104 . 1 1 17 17 ARG N N 15 121.452 0.009 . 1 . . . . 17 R N . 16466 1
105 . 1 1 17 17 ARG NE N 15 118.997 0.160 . 1 . . . . 17 R NE . 16466 1
106 . 1 1 18 18 VAL H H 1 8.298 0.000 . 1 . . . . 18 V HN . 16466 1
107 . 1 1 18 18 VAL HA H 1 5.005 0.001 . 1 . . . . 18 V HA . 16466 1
108 . 1 1 18 18 VAL HB H 1 2.721 0.006 . 1 . . . . 18 V HB . 16466 1
109 . 1 1 18 18 VAL HG11 H 1 0.908 0.004 . . . . . . 18 V QG1 . 16466 1
110 . 1 1 18 18 VAL HG12 H 1 0.908 0.004 . . . . . . 18 V QG1 . 16466 1
111 . 1 1 18 18 VAL HG13 H 1 0.908 0.004 . . . . . . 18 V QG1 . 16466 1
112 . 1 1 18 18 VAL HG21 H 1 0.978 0.019 . . . . . . 18 V QG2 . 16466 1
113 . 1 1 18 18 VAL HG22 H 1 0.978 0.019 . . . . . . 18 V QG2 . 16466 1
114 . 1 1 18 18 VAL HG23 H 1 0.978 0.019 . . . . . . 18 V QG2 . 16466 1
115 . 1 1 18 18 VAL N N 15 113.240 0.078 . 1 . . . . 18 V N . 16466 1
116 . 1 1 19 19 THR H H 1 7.209 0.000 . 1 . . . . 19 T HN . 16466 1
117 . 1 1 19 19 THR HA H 1 5.101 0.004 . 1 . . . . 19 T HA . 16466 1
118 . 1 1 19 19 THR HB H 1 3.823 0.013 . 1 . . . . 19 T HB . 16466 1
119 . 1 1 19 19 THR HG21 H 1 1.073 0.011 . . . . . . 19 T QG2 . 16466 1
120 . 1 1 19 19 THR HG22 H 1 1.073 0.011 . . . . . . 19 T QG2 . 16466 1
121 . 1 1 19 19 THR HG23 H 1 1.073 0.011 . . . . . . 19 T QG2 . 16466 1
122 . 1 1 19 19 THR N N 15 111.368 0.074 . 1 . . . . 19 T N . 16466 1
123 . 1 1 20 20 THR H H 1 8.518 0.004 . 1 . . . . 20 T HN . 16466 1
124 . 1 1 20 20 THR HA H 1 4.605 0.002 . 1 . . . . 20 T HA . 16466 1
125 . 1 1 20 20 THR HB H 1 3.889 0.020 . 1 . . . . 20 T HB . 16466 1
126 . 1 1 20 20 THR HG21 H 1 1.194 0.003 . . . . . . 20 T QG2 . 16466 1
127 . 1 1 20 20 THR HG22 H 1 1.194 0.003 . . . . . . 20 T QG2 . 16466 1
128 . 1 1 20 20 THR HG23 H 1 1.194 0.003 . . . . . . 20 T QG2 . 16466 1
129 . 1 1 20 20 THR N N 15 110.279 0.058 . 1 . . . . 20 T N . 16466 1
130 . 1 1 21 21 VAL H H 1 9.180 0.001 . 1 . . . . 21 V HN . 16466 1
131 . 1 1 21 21 VAL HA H 1 4.049 0.000 . 1 . . . . 21 V HA . 16466 1
132 . 1 1 21 21 VAL HB H 1 2.094 0.007 . 1 . . . . 21 V HB . 16466 1
133 . 1 1 21 21 VAL HG11 H 1 1.005 0.002 . . . . . . 21 V QG1 . 16466 1
134 . 1 1 21 21 VAL HG12 H 1 1.005 0.002 . . . . . . 21 V QG1 . 16466 1
135 . 1 1 21 21 VAL HG13 H 1 1.005 0.002 . . . . . . 21 V QG1 . 16466 1
136 . 1 1 21 21 VAL HG21 H 1 1.124 0.097 . . . . . . 21 V QG2 . 16466 1
137 . 1 1 21 21 VAL HG22 H 1 1.124 0.097 . . . . . . 21 V QG2 . 16466 1
138 . 1 1 21 21 VAL HG23 H 1 1.124 0.097 . . . . . . 21 V QG2 . 16466 1
139 . 1 1 21 21 VAL N N 15 116.629 0.074 . 1 . . . . 21 V N . 16466 1
140 . 1 1 22 22 THR H H 1 7.376 0.004 . 1 . . . . 22 T HN . 16466 1
141 . 1 1 22 22 THR HA H 1 4.521 0.025 . 1 . . . . 22 T HA . 16466 1
142 . 1 1 22 22 THR HG21 H 1 1.252 0.015 . . . . . . 22 T QG2 . 16466 1
143 . 1 1 22 22 THR HG22 H 1 1.252 0.015 . . . . . . 22 T QG2 . 16466 1
144 . 1 1 22 22 THR HG23 H 1 1.252 0.015 . . . . . . 22 T QG2 . 16466 1
145 . 1 1 22 22 THR N N 15 108.221 0.002 . 1 . . . . 22 T N . 16466 1
146 . 1 1 23 23 GLY H H 1 8.345 0.001 . 1 . . . . 23 G HN . 16466 1
147 . 1 1 23 23 GLY HA2 H 1 3.609 0.001 . . . . . . 23 G HA1 . 16466 1
148 . 1 1 23 23 GLY HA3 H 1 4.360 0.018 . 2 . . . . 23 G HA2 . 16466 1
149 . 1 1 23 23 GLY N N 15 110.656 0.129 . 1 . . . . 23 G N . 16466 1
150 . 1 1 24 24 THR H H 1 7.330 0.001 . 1 . . . . 24 T HN . 16466 1
151 . 1 1 24 24 THR HA H 1 4.419 0.012 . 1 . . . . 24 T HA . 16466 1
152 . 1 1 24 24 THR HB H 1 3.911 0.003 . 1 . . . . 24 T HB . 16466 1
153 . 1 1 24 24 THR HG21 H 1 1.383 0.003 . . . . . . 24 T QG2 . 16466 1
154 . 1 1 24 24 THR HG22 H 1 1.383 0.003 . . . . . . 24 T QG2 . 16466 1
155 . 1 1 24 24 THR HG23 H 1 1.383 0.003 . . . . . . 24 T QG2 . 16466 1
156 . 1 1 24 24 THR N N 15 119.053 0.148 . 1 . . . . 24 T N . 16466 1
157 . 1 1 25 25 PRO HA H 1 4.601 0.000 . 1 . . . . 25 P HA . 16466 1
158 . 1 1 25 25 PRO HB2 H 1 2.292 0.296 . 2 . . . . 25 P HB2 . 16466 1
159 . 1 1 25 25 PRO HB3 H 1 2.507 0.003 . 2 . . . . 25 P HB3 . 16466 1
160 . 1 1 25 25 PRO HG2 H 1 1.907 0.001 . 2 . . . . 25 P HG2 . 16466 1
161 . 1 1 26 26 CYS H H 1 8.451 0.002 . 1 . . . . 26 C HN . 16466 1
162 . 1 1 26 26 CYS HA H 1 4.715 0.017 . 1 . . . . 26 C HA . 16466 1
163 . 1 1 26 26 CYS HB2 H 1 2.716 0.001 . 2 . . . . 26 C HB2 . 16466 1
164 . 1 1 26 26 CYS HB3 H 1 3.078 0.001 . 2 . . . . 26 C HB3 . 16466 1
165 . 1 1 26 26 CYS N N 15 123.739 0.083 . 1 . . . . 26 C N . 16466 1
166 . 1 1 27 27 GLN H H 1 9.557 0.004 . 1 . . . . 27 Q HN . 16466 1
167 . 1 1 27 27 GLN HA H 1 3.946 0.006 . 1 . . . . 27 Q HA . 16466 1
168 . 1 1 27 27 GLN HB2 H 1 1.224 0.005 . 2 . . . . 27 Q HB2 . 16466 1
169 . 1 1 27 27 GLN HB3 H 1 1.632 0.012 . 2 . . . . 27 Q HB3 . 16466 1
170 . 1 1 27 27 GLN HE21 H 1 5.861 0.002 . 2 . . . . 27 Q HE21 . 16466 1
171 . 1 1 27 27 GLN HE22 H 1 7.325 0.008 . 2 . . . . 27 Q HE22 . 16466 1
172 . 1 1 27 27 GLN HG2 H 1 2.099 0.200 . 2 . . . . 27 Q HG2 . 16466 1
173 . 1 1 27 27 GLN HG3 H 1 2.605 0.028 . 2 . . . . 27 Q HG3 . 16466 1
174 . 1 1 27 27 GLN N N 15 126.620 0.158 . 1 . . . . 27 Q N . 16466 1
175 . 1 1 27 27 GLN NE2 N 15 108.239 0.040 . 1 . . . . 27 Q NE2 . 16466 1
176 . 1 1 28 28 ASP H H 1 8.849 0.002 . 1 . . . . 28 D HN . 16466 1
177 . 1 1 28 28 ASP HA H 1 4.419 0.003 . 1 . . . . 28 D HA . 16466 1
178 . 1 1 28 28 ASP HB2 H 1 2.534 0.003 . 2 . . . . 28 D HB2 . 16466 1
179 . 1 1 28 28 ASP HB3 H 1 2.581 0.013 . 2 . . . . 28 D HB3 . 16466 1
180 . 1 1 28 28 ASP N N 15 126.815 0.178 . 1 . . . . 28 D N . 16466 1
181 . 1 1 29 29 TRP H H 1 7.982 0.002 . 1 . . . . 29 W HN . 16466 1
182 . 1 1 29 29 TRP HA H 1 4.198 0.037 . 1 . . . . 29 W HA . 16466 1
183 . 1 1 29 29 TRP HB2 H 1 1.265 0.021 . 2 . . . . 29 W HB2 . 16466 1
184 . 1 1 29 29 TRP HB3 H 1 2.931 0.003 . 2 . . . . 29 W HB3 . 16466 1
185 . 1 1 29 29 TRP HD1 H 1 7.245 0.008 . 1 . . . . 29 W HD1 . 16466 1
186 . 1 1 29 29 TRP HE1 H 1 11.918 0.001 . 1 . . . . 29 W HE1 . 16466 1
187 . 1 1 29 29 TRP HE3 H 1 8.264 0.003 . 1 . . . . 29 W HE3 . 16466 1
188 . 1 1 29 29 TRP HH2 H 1 5.159 0.003 . 1 . . . . 29 W HH2 . 16466 1
189 . 1 1 29 29 TRP HZ2 H 1 7.633 0.003 . 1 . . . . 29 W HZ2 . 16466 1
190 . 1 1 29 29 TRP HZ3 H 1 6.896 0.003 . 1 . . . . 29 W HZ3 . 16466 1
191 . 1 1 29 29 TRP N N 15 123.876 0.104 . 1 . . . . 29 W N . 16466 1
192 . 1 1 29 29 TRP NE1 N 15 132.638 0.042 . 1 . . . . 29 W NE1 . 16466 1
193 . 1 1 30 30 ALA H H 1 9.098 0.001 . 1 . . . . 30 A HN . 16466 1
194 . 1 1 30 30 ALA HA H 1 4.334 0.011 . 1 . . . . 30 A HA . 16466 1
195 . 1 1 30 30 ALA HB1 H 1 1.570 0.003 . . . . . . 30 A QB . 16466 1
196 . 1 1 30 30 ALA HB2 H 1 1.570 0.003 . . . . . . 30 A QB . 16466 1
197 . 1 1 30 30 ALA HB3 H 1 1.570 0.003 . . . . . . 30 A QB . 16466 1
198 . 1 1 30 30 ALA N N 15 114.831 0.096 . 1 . . . . 30 A N . 16466 1
199 . 1 1 31 31 ALA H H 1 7.855 0.001 . 1 . . . . 31 A HN . 16466 1
200 . 1 1 31 31 ALA HA H 1 4.604 0.001 . 1 . . . . 31 A HA . 16466 1
201 . 1 1 31 31 ALA HB1 H 1 1.761 0.002 . . . . . . 31 A QB . 16466 1
202 . 1 1 31 31 ALA HB2 H 1 1.761 0.002 . . . . . . 31 A QB . 16466 1
203 . 1 1 31 31 ALA HB3 H 1 1.761 0.002 . . . . . . 31 A QB . 16466 1
204 . 1 1 31 31 ALA N N 15 119.366 0.132 . 1 . . . . 31 A N . 16466 1
205 . 1 1 32 32 GLN H H 1 6.836 0.001 . 1 . . . . 32 Q HN . 16466 1
206 . 1 1 32 32 GLN HA H 1 4.254 0.005 . 1 . . . . 32 Q HA . 16466 1
207 . 1 1 32 32 GLN HB2 H 1 1.710 0.043 . 2 . . . . 32 Q HB2 . 16466 1
208 . 1 1 32 32 GLN HB3 H 1 1.854 0.008 . 2 . . . . 32 Q HB3 . 16466 1
209 . 1 1 32 32 GLN HE21 H 1 6.630 0.001 . 2 . . . . 32 Q HE21 . 16466 1
210 . 1 1 32 32 GLN HE22 H 1 7.652 0.006 . 2 . . . . 32 Q HE22 . 16466 1
211 . 1 1 32 32 GLN HG2 H 1 2.085 0.006 . 2 . . . . 32 Q HG2 . 16466 1
212 . 1 1 32 32 GLN HG3 H 1 2.181 0.034 . 2 . . . . 32 Q HG3 . 16466 1
213 . 1 1 32 32 GLN N N 15 115.145 0.128 . 1 . . . . 32 Q N . 16466 1
214 . 1 1 32 32 GLN NE2 N 15 113.445 0.037 . 1 . . . . 32 Q NE2 . 16466 1
215 . 1 1 33 33 GLU H H 1 8.729 0.000 . 1 . . . . 33 E HN . 16466 1
216 . 1 1 33 33 GLU HA H 1 4.464 0.009 . 1 . . . . 33 E HA . 16466 1
217 . 1 1 33 33 GLU HB2 H 1 1.443 0.008 . 2 . . . . 33 E HB2 . 16466 1
218 . 1 1 33 33 GLU HB3 H 1 2.088 0.008 . 2 . . . . 33 E HB3 . 16466 1
219 . 1 1 33 33 GLU HG2 H 1 2.348 0.005 . 2 . . . . 33 E HG2 . 16466 1
220 . 1 1 33 33 GLU HG3 H 1 2.683 0.005 . 2 . . . . 33 E HG3 . 16466 1
221 . 1 1 33 33 GLU N N 15 118.546 0.126 . 1 . . . . 33 E N . 16466 1
222 . 1 1 34 34 PRO HA H 1 4.507 0.006 . 1 . . . . 34 P HA . 16466 1
223 . 1 1 34 34 PRO HB2 H 1 2.403 0.003 . 2 . . . . 34 P HB2 . 16466 1
224 . 1 1 34 34 PRO HD2 H 1 3.339 0.003 . 2 . . . . 34 P HD2 . 16466 1
225 . 1 1 34 34 PRO HG2 H 1 1.821 0.006 . 2 . . . . 34 P HG2 . 16466 1
226 . 1 1 35 35 HIS H H 1 9.736 0.004 . 1 . . . . 35 H HN . 16466 1
227 . 1 1 35 35 HIS HA H 1 4.861 0.024 . 1 . . . . 35 H HA . 16466 1
228 . 1 1 35 35 HIS HB2 H 1 2.917 0.008 . 2 . . . . 35 H HB2 . 16466 1
229 . 1 1 35 35 HIS HB3 H 1 3.366 0.013 . 2 . . . . 35 H HB3 . 16466 1
230 . 1 1 35 35 HIS N N 15 117.871 0.031 . 1 . . . . 35 H N . 16466 1
231 . 1 1 36 36 ARG H H 1 9.255 0.004 . 1 . . . . 36 R HN . 16466 1
232 . 1 1 36 36 ARG HA H 1 4.368 0.001 . 1 . . . . 36 R HA . 16466 1
233 . 1 1 36 36 ARG HD2 H 1 3.840 0.033 . 2 . . . . 36 R HD2 . 16466 1
234 . 1 1 36 36 ARG N N 15 119.886 0.010 . 1 . . . . 36 R N . 16466 1
235 . 1 1 37 37 HIS H H 1 8.487 0.004 . 1 . . . . 37 H HN . 16466 1
236 . 1 1 37 37 HIS HA H 1 4.969 0.000 . 1 . . . . 37 H HA . 16466 1
237 . 1 1 37 37 HIS HB2 H 1 2.765 0.002 . 2 . . . . 37 H HB2 . 16466 1
238 . 1 1 37 37 HIS HB3 H 1 3.071 0.001 . 2 . . . . 37 H HB3 . 16466 1
239 . 1 1 37 37 HIS HD1 H 1 11.580 0.001 . 1 . . . . 37 H HD1 . 16466 1
240 . 1 1 37 37 HIS HD2 H 1 7.104 0.001 . 1 . . . . 37 H HD2 . 16466 1
241 . 1 1 37 37 HIS HE1 H 1 9.555 0.008 . 1 . . . . 37 H HE1 . 16466 1
242 . 1 1 37 37 HIS N N 15 118.654 0.124 . 1 . . . . 37 H N . 16466 1
243 . 1 1 37 37 HIS ND1 N 15 103.266 0.008 . 1 . . . . 37 H ND1 . 16466 1
244 . 1 1 38 38 SER H H 1 8.609 0.001 . 1 . . . . 38 S HN . 16466 1
245 . 1 1 38 38 SER HA H 1 4.516 0.023 . 1 . . . . 38 S HA . 16466 1
246 . 1 1 38 38 SER HB2 H 1 1.826 0.006 . 2 . . . . 38 S HB2 . 16466 1
247 . 1 1 38 38 SER HB3 H 1 3.284 0.001 . 2 . . . . 38 S HB3 . 16466 1
248 . 1 1 38 38 SER N N 15 126.261 0.030 . 1 . . . . 38 S N . 16466 1
249 . 1 1 39 39 ILE H H 1 8.191 0.014 . 1 . . . . 39 I HN . 16466 1
250 . 1 1 39 39 ILE HA H 1 5.197 0.013 . 1 . . . . 39 I HA . 16466 1
251 . 1 1 39 39 ILE HB H 1 2.259 0.003 . 1 . . . . 39 I HB . 16466 1
252 . 1 1 39 39 ILE HD11 H 1 0.863 0.003 . . . . . . 39 I QD1 . 16466 1
253 . 1 1 39 39 ILE HD12 H 1 0.863 0.003 . . . . . . 39 I QD1 . 16466 1
254 . 1 1 39 39 ILE HD13 H 1 0.863 0.003 . . . . . . 39 I QD1 . 16466 1
255 . 1 1 39 39 ILE HG12 H 1 0.898 0.001 . 2 . . . . 39 I HG12 . 16466 1
256 . 1 1 39 39 ILE HG21 H 1 1.348 0.017 . . . . . . 39 I QG2 . 16466 1
257 . 1 1 39 39 ILE HG22 H 1 1.348 0.017 . . . . . . 39 I QG2 . 16466 1
258 . 1 1 39 39 ILE HG23 H 1 1.348 0.017 . . . . . . 39 I QG2 . 16466 1
259 . 1 1 39 39 ILE N N 15 106.468 0.129 . 1 . . . . 39 I N . 16466 1
260 . 1 1 40 40 PHE H H 1 8.158 0.007 . 1 . . . . 40 F HN . 16466 1
261 . 1 1 40 40 PHE HA H 1 4.099 0.005 . 1 . . . . 40 F HA . 16466 1
262 . 1 1 40 40 PHE HB2 H 1 3.413 0.004 . 2 . . . . 40 F HB2 . 16466 1
263 . 1 1 40 40 PHE HB3 H 1 4.360 0.009 . 2 . . . . 40 F HB3 . 16466 1
264 . 1 1 40 40 PHE HD1 H 1 7.377 0.015 . 3 . . . . 40 F QD . 16466 1
265 . 1 1 40 40 PHE HD2 H 1 7.377 0.015 . 3 . . . . 40 F QD . 16466 1
266 . 1 1 40 40 PHE HE1 H 1 7.442 0.003 . 3 . . . . 40 F QE . 16466 1
267 . 1 1 40 40 PHE HE2 H 1 7.442 0.003 . 3 . . . . 40 F QE . 16466 1
268 . 1 1 40 40 PHE HZ H 1 7.392 0.003 . 1 . . . . 40 F HZ . 16466 1
269 . 1 1 40 40 PHE N N 15 116.320 0.149 . 1 . . . . 40 F N . 16466 1
270 . 1 1 41 41 THR H H 1 7.254 0.005 . 1 . . . . 41 T HN . 16466 1
271 . 1 1 41 41 THR HA H 1 4.503 0.001 . 1 . . . . 41 T HA . 16466 1
272 . 1 1 41 41 THR HB H 1 3.383 0.014 . 1 . . . . 41 T HB . 16466 1
273 . 1 1 41 41 THR N N 15 113.915 0.014 . 1 . . . . 41 T N . 16466 1
274 . 1 1 42 42 PRO HA H 1 4.166 0.092 . 1 . . . . 42 P HA . 16466 1
275 . 1 1 42 42 PRO HB2 H 1 2.328 0.093 . 2 . . . . 42 P HB2 . 16466 1
276 . 1 1 42 42 PRO HB3 H 1 2.326 0.073 . 2 . . . . 42 P HB3 . 16466 1
277 . 1 1 42 42 PRO HD2 H 1 2.554 0.013 . 2 . . . . 42 P HD2 . 16466 1
278 . 1 1 42 42 PRO HD3 H 1 3.725 0.007 . 2 . . . . 42 P HD3 . 16466 1
279 . 1 1 42 42 PRO HG2 H 1 1.758 0.003 . 2 . . . . 42 P HG2 . 16466 1
280 . 1 1 43 43 GLU H H 1 7.824 0.004 . 1 . . . . 43 E HN . 16466 1
281 . 1 1 43 43 GLU HA H 1 4.161 0.006 . 1 . . . . 43 E HA . 16466 1
282 . 1 1 43 43 GLU HB2 H 1 1.992 0.006 . 2 . . . . 43 E HB2 . 16466 1
283 . 1 1 43 43 GLU HB3 H 1 2.284 0.003 . 2 . . . . 43 E HB3 . 16466 1
284 . 1 1 43 43 GLU N N 15 112.032 0.121 . 1 . . . . 43 E N . 16466 1
285 . 1 1 44 44 THR H H 1 7.859 0.006 . 1 . . . . 44 T HN . 16466 1
286 . 1 1 44 44 THR HA H 1 4.213 0.008 . 1 . . . . 44 T HA . 16466 1
287 . 1 1 44 44 THR N N 15 109.971 0.091 . 1 . . . . 44 T N . 16466 1
288 . 1 1 45 45 ASN H H 1 7.828 0.004 . 1 . . . . 45 N HN . 16466 1
289 . 1 1 45 45 ASN HA H 1 5.358 0.002 . 1 . . . . 45 N HA . 16466 1
290 . 1 1 45 45 ASN HB2 H 1 2.427 0.001 . 2 . . . . 45 N HB2 . 16466 1
291 . 1 1 45 45 ASN HB3 H 1 2.631 0.004 . 2 . . . . 45 N HB3 . 16466 1
292 . 1 1 45 45 ASN HD21 H 1 7.363 0.005 . 2 . . . . 45 N HD21 . 16466 1
293 . 1 1 45 45 ASN HD22 H 1 8.134 0.001 . 2 . . . . 45 N HD22 . 16466 1
294 . 1 1 45 45 ASN N N 15 118.292 0.114 . 1 . . . . 45 N N . 16466 1
295 . 1 1 45 45 ASN ND2 N 15 114.809 0.031 . 1 . . . . 45 N ND2 . 16466 1
296 . 1 1 46 46 PRO HD2 H 1 3.321 0.000 . 2 . . . . 46 P HD2 . 16466 1
297 . 1 1 46 46 PRO HD3 H 1 3.594 0.002 . 2 . . . . 46 P HD3 . 16466 1
298 . 1 1 46 46 PRO HG2 H 1 1.578 0.375 . 2 . . . . 46 P HG2 . 16466 1
299 . 1 1 47 47 ARG H H 1 8.778 0.001 . 1 . . . . 47 R HN . 16466 1
300 . 1 1 47 47 ARG HA H 1 4.594 0.006 . 1 . . . . 47 R HA . 16466 1
301 . 1 1 47 47 ARG HB2 H 1 1.752 0.001 . 2 . . . . 47 R HB2 . 16466 1
302 . 1 1 47 47 ARG HB3 H 1 2.100 0.005 . 2 . . . . 47 R HB3 . 16466 1
303 . 1 1 47 47 ARG HD2 H 1 3.218 0.003 . 2 . . . . 47 R HD2 . 16466 1
304 . 1 1 47 47 ARG HD3 H 1 4.788 0.004 . 2 . . . . 47 R HD3 . 16466 1
305 . 1 1 47 47 ARG HE H 1 7.297 0.001 . 1 . . . . 47 R HE . 16466 1
306 . 1 1 47 47 ARG HG2 H 1 1.584 0.032 . 2 . . . . 47 R HG2 . 16466 1
307 . 1 1 47 47 ARG N N 15 117.742 0.128 . 1 . . . . 47 R N . 16466 1
308 . 1 1 47 47 ARG NE N 15 116.961 0.037 . 1 . . . . 47 R NE . 16466 1
309 . 1 1 48 48 ALA H H 1 7.139 0.003 . 1 . . . . 48 A HN . 16466 1
310 . 1 1 48 48 ALA HA H 1 4.439 0.002 . 1 . . . . 48 A HA . 16466 1
311 . 1 1 48 48 ALA HB1 H 1 1.342 0.008 . . . . . . 48 A QB . 16466 1
312 . 1 1 48 48 ALA HB2 H 1 1.342 0.008 . . . . . . 48 A QB . 16466 1
313 . 1 1 48 48 ALA HB3 H 1 1.342 0.008 . . . . . . 48 A QB . 16466 1
314 . 1 1 48 48 ALA N N 15 119.525 0.117 . 1 . . . . 48 A N . 16466 1
315 . 1 1 49 49 GLY H H 1 8.256 0.001 . 1 . . . . 49 G HN . 16466 1
316 . 1 1 49 49 GLY HA2 H 1 3.510 0.005 . . . . . . 49 G HA1 . 16466 1
317 . 1 1 49 49 GLY HA3 H 1 3.842 0.001 . 2 . . . . 49 G HA2 . 16466 1
318 . 1 1 49 49 GLY N N 15 108.423 0.132 . 1 . . . . 49 G N . 16466 1
319 . 1 1 50 50 LEU H H 1 9.144 0.001 . 1 . . . . 50 L HN . 16466 1
320 . 1 1 50 50 LEU HA H 1 3.268 0.000 . 1 . . . . 50 L HA . 16466 1
321 . 1 1 50 50 LEU HB2 H 1 0.412 0.003 . 2 . . . . 50 L HB2 . 16466 1
322 . 1 1 50 50 LEU HB3 H 1 1.597 0.001 . 2 . . . . 50 L HB3 . 16466 1
323 . 1 1 50 50 LEU HD11 H 1 -1.089 0.004 . . . . . . 50 L QD1 . 16466 1
324 . 1 1 50 50 LEU HD12 H 1 -1.089 0.004 . . . . . . 50 L QD1 . 16466 1
325 . 1 1 50 50 LEU HD13 H 1 -1.089 0.004 . . . . . . 50 L QD1 . 16466 1
326 . 1 1 50 50 LEU HD21 H 1 0.366 0.005 . . . . . . 50 L QD2 . 16466 1
327 . 1 1 50 50 LEU HD22 H 1 0.366 0.005 . . . . . . 50 L QD2 . 16466 1
328 . 1 1 50 50 LEU HD23 H 1 0.366 0.005 . . . . . . 50 L QD2 . 16466 1
329 . 1 1 50 50 LEU HG H 1 1.083 0.006 . 1 . . . . 50 L HG . 16466 1
330 . 1 1 50 50 LEU N N 15 121.605 0.007 . 1 . . . . 50 L N . 16466 1
331 . 1 1 51 51 GLU H H 1 7.651 0.001 . 1 . . . . 51 E HN . 16466 1
332 . 1 1 51 51 GLU HA H 1 4.504 0.006 . 1 . . . . 51 E HA . 16466 1
333 . 1 1 51 51 GLU HB2 H 1 1.958 0.021 . 2 . . . . 51 E HB2 . 16466 1
334 . 1 1 51 51 GLU HB3 H 1 2.138 0.084 . 2 . . . . 51 E HB3 . 16466 1
335 . 1 1 51 51 GLU N N 15 124.470 0.055 . 1 . . . . 51 E N . 16466 1
336 . 1 1 52 52 LYS H H 1 8.878 0.004 . 1 . . . . 52 K HN . 16466 1
337 . 1 1 52 52 LYS HA H 1 3.618 0.002 . 1 . . . . 52 K HA . 16466 1
338 . 1 1 52 52 LYS HB2 H 1 1.061 0.002 . 2 . . . . 52 K HB2 . 16466 1
339 . 1 1 52 52 LYS HB3 H 1 1.370 0.013 . 2 . . . . 52 K HB3 . 16466 1
340 . 1 1 52 52 LYS HG2 H 1 1.628 0.006 . 2 . . . . 52 K HG2 . 16466 1
341 . 1 1 52 52 LYS N N 15 118.010 0.062 . 1 . . . . 52 K N . 16466 1
342 . 1 1 53 53 ASN H H 1 7.874 0.001 . 1 . . . . 53 N HN . 16466 1
343 . 1 1 53 53 ASN HA H 1 4.574 0.001 . 1 . . . . 53 N HA . 16466 1
344 . 1 1 53 53 ASN HB2 H 1 2.258 0.003 . 2 . . . . 53 N HB2 . 16466 1
345 . 1 1 53 53 ASN HB3 H 1 2.942 0.008 . 2 . . . . 53 N HB3 . 16466 1
346 . 1 1 53 53 ASN HD21 H 1 6.576 0.001 . 2 . . . . 53 N HD21 . 16466 1
347 . 1 1 53 53 ASN HD22 H 1 7.529 0.003 . 2 . . . . 53 N HD22 . 16466 1
348 . 1 1 53 53 ASN N N 15 122.833 0.002 . 1 . . . . 53 N N . 16466 1
349 . 1 1 53 53 ASN ND2 N 15 107.859 0.121 . 1 . . . . 53 N ND2 . 16466 1
350 . 1 1 54 54 TYR H H 1 7.425 0.001 . 1 . . . . 54 Y HN . 16466 1
351 . 1 1 54 54 TYR HA H 1 4.992 0.006 . 1 . . . . 54 Y HA . 16466 1
352 . 1 1 54 54 TYR HB2 H 1 2.726 0.003 . 2 . . . . 54 Y HB2 . 16466 1
353 . 1 1 54 54 TYR HB3 H 1 3.322 0.025 . 2 . . . . 54 Y HB3 . 16466 1
354 . 1 1 54 54 TYR HD1 H 1 7.032 0.001 . 3 . . . . 54 Y QD . 16466 1
355 . 1 1 54 54 TYR HD2 H 1 7.032 0.001 . 3 . . . . 54 Y QD . 16466 1
356 . 1 1 54 54 TYR HE1 H 1 6.710 0.016 . 3 . . . . 54 Y QE . 16466 1
357 . 1 1 54 54 TYR HE2 H 1 6.710 0.016 . 3 . . . . 54 Y QE . 16466 1
358 . 1 1 54 54 TYR N N 15 112.865 0.017 . 1 . . . . 54 Y N . 16466 1
359 . 1 1 55 55 CYS H H 1 8.917 0.001 . 1 . . . . 55 C HN . 16466 1
360 . 1 1 55 55 CYS HA H 1 4.488 0.013 . 1 . . . . 55 C HA . 16466 1
361 . 1 1 55 55 CYS HB2 H 1 2.395 0.003 . 2 . . . . 55 C HB2 . 16466 1
362 . 1 1 55 55 CYS HB3 H 1 3.380 0.012 . 2 . . . . 55 C HB3 . 16466 1
363 . 1 1 55 55 CYS N N 15 118.745 0.163 . 1 . . . . 55 C N . 16466 1
364 . 1 1 56 56 ARG H H 1 9.470 0.000 . 1 . . . . 56 R HN . 16466 1
365 . 1 1 56 56 ARG HA H 1 4.862 0.015 . 1 . . . . 56 R HA . 16466 1
366 . 1 1 56 56 ARG HB2 H 1 1.317 0.013 . 2 . . . . 56 R HB2 . 16466 1
367 . 1 1 56 56 ARG HD2 H 1 3.282 0.003 . 2 . . . . 56 R HD2 . 16466 1
368 . 1 1 56 56 ARG HD3 H 1 3.279 0.009 . 2 . . . . 56 R HD3 . 16466 1
369 . 1 1 56 56 ARG HE H 1 7.216 0.001 . 1 . . . . 56 R HE . 16466 1
370 . 1 1 56 56 ARG HG2 H 1 1.824 0.008 . 2 . . . . 56 R HG2 . 16466 1
371 . 1 1 56 56 ARG HG3 H 1 1.801 0.049 . 2 . . . . 56 R HG3 . 16466 1
372 . 1 1 56 56 ARG N N 15 123.525 0.007 . 1 . . . . 56 R N . 16466 1
373 . 1 1 56 56 ARG NE N 15 117.383 0.004 . 1 . . . . 56 R NE . 16466 1
374 . 1 1 57 57 ASN H H 1 8.417 0.003 . 1 . . . . 57 N HN . 16466 1
375 . 1 1 57 57 ASN HA H 1 5.540 0.003 . 1 . . . . 57 N HA . 16466 1
376 . 1 1 57 57 ASN HB2 H 1 1.888 0.001 . 2 . . . . 57 N HB2 . 16466 1
377 . 1 1 57 57 ASN HB3 H 1 2.987 0.007 . 2 . . . . 57 N HB3 . 16466 1
378 . 1 1 57 57 ASN HD21 H 1 7.368 0.001 . 2 . . . . 57 N HD21 . 16466 1
379 . 1 1 57 57 ASN HD22 H 1 8.039 0.004 . 2 . . . . 57 N HD22 . 16466 1
380 . 1 1 57 57 ASN N N 15 113.293 0.004 . 1 . . . . 57 N N . 16466 1
381 . 1 1 57 57 ASN ND2 N 15 104.290 0.023 . 1 . . . . 57 N ND2 . 16466 1
382 . 1 1 58 58 PRO HA H 1 4.454 0.004 . 1 . . . . 58 P HA . 16466 1
383 . 1 1 58 58 PRO HB2 H 1 1.779 0.003 . 2 . . . . 58 P HB2 . 16466 1
384 . 1 1 58 58 PRO HB3 H 1 2.346 0.003 . 2 . . . . 58 P HB3 . 16466 1
385 . 1 1 58 58 PRO HD2 H 1 3.083 0.017 . 2 . . . . 58 P HD2 . 16466 1
386 . 1 1 58 58 PRO HD3 H 1 3.570 0.003 . 2 . . . . 58 P HD3 . 16466 1
387 . 1 1 58 58 PRO HG2 H 1 1.007 0.001 . 2 . . . . 58 P HG2 . 16466 1
388 . 1 1 58 58 PRO HG3 H 1 1.449 0.003 . 2 . . . . 58 P HG3 . 16466 1
389 . 1 1 59 59 ASP H H 1 9.547 0.038 . 1 . . . . 59 D HN . 16466 1
390 . 1 1 59 59 ASP HA H 1 4.786 0.001 . 1 . . . . 59 D HA . 16466 1
391 . 1 1 59 59 ASP HB2 H 1 2.878 0.028 . 2 . . . . 59 D HB2 . 16466 1
392 . 1 1 59 59 ASP HB3 H 1 3.049 0.006 . 2 . . . . 59 D HB3 . 16466 1
393 . 1 1 59 59 ASP N N 15 114.552 0.169 . 1 . . . . 59 D N . 16466 1
394 . 1 1 60 60 GLY H H 1 7.436 0.007 . 1 . . . . 60 G HN . 16466 1
395 . 1 1 60 60 GLY HA2 H 1 3.311 0.003 . . . . . . 60 G HA1 . 16466 1
396 . 1 1 60 60 GLY HA3 H 1 3.799 0.003 . 2 . . . . 60 G HA2 . 16466 1
397 . 1 1 60 60 GLY N N 15 109.636 0.128 . 1 . . . . 60 G N . 16466 1
398 . 1 1 61 61 ASP H H 1 9.130 0.025 . 1 . . . . 61 D HN . 16466 1
399 . 1 1 61 61 ASP HA H 1 4.369 0.006 . 1 . . . . 61 D HA . 16466 1
400 . 1 1 61 61 ASP HB2 H 1 3.175 0.002 . 2 . . . . 61 D HB2 . 16466 1
401 . 1 1 61 61 ASP N N 15 123.255 0.164 . 1 . . . . 61 D N . 16466 1
402 . 1 1 62 62 VAL H H 1 8.871 0.007 . 1 . . . . 62 V HN . 16466 1
403 . 1 1 62 62 VAL HA H 1 3.997 0.001 . 1 . . . . 62 V HA . 16466 1
404 . 1 1 62 62 VAL HB H 1 2.259 0.000 . 1 . . . . 62 V HB . 16466 1
405 . 1 1 62 62 VAL HG11 H 1 1.020 0.006 . . . . . . 62 V QG1 . 16466 1
406 . 1 1 62 62 VAL HG12 H 1 1.020 0.006 . . . . . . 62 V QG1 . 16466 1
407 . 1 1 62 62 VAL HG13 H 1 1.020 0.006 . . . . . . 62 V QG1 . 16466 1
408 . 1 1 62 62 VAL HG21 H 1 1.042 0.013 . . . . . . 62 V QG2 . 16466 1
409 . 1 1 62 62 VAL HG22 H 1 1.042 0.013 . . . . . . 62 V QG2 . 16466 1
410 . 1 1 62 62 VAL HG23 H 1 1.042 0.013 . . . . . . 62 V QG2 . 16466 1
411 . 1 1 62 62 VAL N N 15 127.998 0.380 . 1 . . . . 62 V N . 16466 1
412 . 1 1 63 63 GLY H H 1 9.855 0.018 . 1 . . . . 63 G HN . 16466 1
413 . 1 1 63 63 GLY HA2 H 1 2.787 0.001 . . . . . . 63 G HA1 . 16466 1
414 . 1 1 63 63 GLY HA3 H 1 3.699 0.007 . 2 . . . . 63 G HA2 . 16466 1
415 . 1 1 63 63 GLY N N 15 109.474 0.121 . 1 . . . . 63 G N . 16466 1
416 . 1 1 64 64 GLY H H 1 7.718 0.011 . 1 . . . . 64 G HN . 16466 1
417 . 1 1 64 64 GLY HA2 H 1 4.310 0.008 . . . . . . 64 G HA1 . 16466 1
418 . 1 1 64 64 GLY HA3 H 1 4.364 0.000 . 2 . . . . 64 G HA2 . 16466 1
419 . 1 1 64 64 GLY N N 15 107.373 0.134 . 1 . . . . 64 G N . 16466 1
420 . 1 1 65 65 PRO HA H 1 4.004 0.001 . 1 . . . . 65 P HA . 16466 1
421 . 1 1 65 65 PRO HB2 H 1 1.734 0.006 . 2 . . . . 65 P HB2 . 16466 1
422 . 1 1 65 65 PRO HG2 H 1 1.517 0.023 . 2 . . . . 65 P HG2 . 16466 1
423 . 1 1 66 66 TRP H H 1 8.894 0.001 . 1 . . . . 66 W HN . 16466 1
424 . 1 1 66 66 TRP HA H 1 5.340 0.001 . 1 . . . . 66 W HA . 16466 1
425 . 1 1 66 66 TRP HB2 H 1 2.407 0.047 . 2 . . . . 66 W HB2 . 16466 1
426 . 1 1 66 66 TRP HB3 H 1 2.952 0.019 . 2 . . . . 66 W HB3 . 16466 1
427 . 1 1 66 66 TRP HD1 H 1 7.830 0.001 . 1 . . . . 66 W HD1 . 16466 1
428 . 1 1 66 66 TRP HE1 H 1 10.831 0.001 . 1 . . . . 66 W HE1 . 16466 1
429 . 1 1 66 66 TRP HE3 H 1 6.698 0.018 . 1 . . . . 66 W HE3 . 16466 1
430 . 1 1 66 66 TRP HH2 H 1 6.750 0.021 . 1 . . . . 66 W HH2 . 16466 1
431 . 1 1 66 66 TRP HZ2 H 1 6.003 0.010 . 1 . . . . 66 W HZ2 . 16466 1
432 . 1 1 66 66 TRP HZ3 H 1 5.395 0.000 . 1 . . . . 66 W HZ3 . 16466 1
433 . 1 1 66 66 TRP N N 15 122.955 0.028 . 1 . . . . 66 W N . 16466 1
434 . 1 1 66 66 TRP NE1 N 15 130.457 0.036 . 1 . . . . 66 W NE1 . 16466 1
435 . 1 1 67 67 CYS H H 1 8.673 0.001 . 1 . . . . 67 C HN . 16466 1
436 . 1 1 67 67 CYS HA H 1 4.427 0.013 . 1 . . . . 67 C HA . 16466 1
437 . 1 1 67 67 CYS HB2 H 1 2.918 0.002 . 2 . . . . 67 C HB2 . 16466 1
438 . 1 1 67 67 CYS HB3 H 1 3.316 0.004 . 2 . . . . 67 C HB3 . 16466 1
439 . 1 1 67 67 CYS N N 15 109.130 0.082 . 1 . . . . 67 C N . 16466 1
440 . 1 1 68 68 TYR H H 1 8.090 0.001 . 1 . . . . 68 Y HN . 16466 1
441 . 1 1 68 68 TYR HA H 1 5.167 0.002 . 1 . . . . 68 Y HA . 16466 1
442 . 1 1 68 68 TYR HB2 H 1 2.276 0.002 . 2 . . . . 68 Y HB2 . 16466 1
443 . 1 1 68 68 TYR HB3 H 1 2.626 0.004 . 2 . . . . 68 Y HB3 . 16466 1
444 . 1 1 68 68 TYR HD1 H 1 6.780 0.000 . 3 . . . . 68 Y QD . 16466 1
445 . 1 1 68 68 TYR HD2 H 1 6.780 0.000 . 3 . . . . 68 Y QD . 16466 1
446 . 1 1 68 68 TYR HE1 H 1 6.846 0.042 . 3 . . . . 68 Y QE . 16466 1
447 . 1 1 68 68 TYR HE2 H 1 6.846 0.042 . 3 . . . . 68 Y QE . 16466 1
448 . 1 1 68 68 TYR N N 15 121.963 0.062 . 1 . . . . 68 Y N . 16466 1
449 . 1 1 69 69 THR H H 1 7.813 0.005 . 1 . . . . 69 T HN . 16466 1
450 . 1 1 69 69 THR HA H 1 5.255 0.003 . 1 . . . . 69 T HA . 16466 1
451 . 1 1 69 69 THR HB H 1 4.292 0.000 . 1 . . . . 69 T HB . 16466 1
452 . 1 1 69 69 THR HG1 H 1 6.015 0.001 . 1 . . . . 69 T HG1 . 16466 1
453 . 1 1 69 69 THR HG21 H 1 0.997 0.001 . . . . . . 69 T QG2 . 16466 1
454 . 1 1 69 69 THR HG22 H 1 0.997 0.001 . . . . . . 69 T QG2 . 16466 1
455 . 1 1 69 69 THR HG23 H 1 0.997 0.001 . . . . . . 69 T QG2 . 16466 1
456 . 1 1 69 69 THR N N 15 111.504 0.078 . 1 . . . . 69 T N . 16466 1
457 . 1 1 70 70 THR H H 1 7.778 0.001 . 1 . . . . 70 T HN . 16466 1
458 . 1 1 70 70 THR HA H 1 3.977 0.004 . 1 . . . . 70 T HA . 16466 1
459 . 1 1 70 70 THR HB H 1 4.789 0.000 . 1 . . . . 70 T HB . 16466 1
460 . 1 1 70 70 THR HG21 H 1 1.105 0.004 . . . . . . 70 T QG2 . 16466 1
461 . 1 1 70 70 THR HG22 H 1 1.105 0.004 . . . . . . 70 T QG2 . 16466 1
462 . 1 1 70 70 THR HG23 H 1 1.105 0.004 . . . . . . 70 T QG2 . 16466 1
463 . 1 1 70 70 THR N N 15 105.004 0.071 . 1 . . . . 70 T N . 16466 1
464 . 1 1 71 71 ASN H H 1 8.714 0.001 . 1 . . . . 71 N HN . 16466 1
465 . 1 1 71 71 ASN HA H 1 5.035 0.005 . 1 . . . . 71 N HA . 16466 1
466 . 1 1 71 71 ASN HB2 H 1 2.773 0.002 . 2 . . . . 71 N HB2 . 16466 1
467 . 1 1 71 71 ASN HB3 H 1 3.235 0.003 . 2 . . . . 71 N HB3 . 16466 1
468 . 1 1 71 71 ASN HD21 H 1 7.123 0.002 . 2 . . . . 71 N HD21 . 16466 1
469 . 1 1 71 71 ASN HD22 H 1 7.790 0.000 . 2 . . . . 71 N HD22 . 16466 1
470 . 1 1 71 71 ASN N N 15 122.506 0.036 . 1 . . . . 71 N N . 16466 1
471 . 1 1 71 71 ASN ND2 N 15 112.167 0.007 . 1 . . . . 71 N ND2 . 16466 1
472 . 1 1 72 72 PRO HA H 1 3.766 0.000 . 1 . . . . 72 P HA . 16466 1
473 . 1 1 72 72 PRO HB2 H 1 2.546 0.000 . 2 . . . . 72 P HB2 . 16466 1
474 . 1 1 72 72 PRO HD2 H 1 4.273 0.006 . 2 . . . . 72 P HD2 . 16466 1
475 . 1 1 72 72 PRO HG2 H 1 1.930 0.000 . 2 . . . . 72 P HG2 . 16466 1
476 . 1 1 73 73 ARG H H 1 8.036 0.002 . 1 . . . . 73 R HN . 16466 1
477 . 1 1 73 73 ARG HA H 1 4.384 0.004 . 1 . . . . 73 R HA . 16466 1
478 . 1 1 73 73 ARG HB2 H 1 2.068 0.008 . 2 . . . . 73 R HB2 . 16466 1
479 . 1 1 73 73 ARG HD2 H 1 3.233 0.006 . 2 . . . . 73 R HD2 . 16466 1
480 . 1 1 73 73 ARG HE H 1 7.203 0.013 . 1 . . . . 73 R HE . 16466 1
481 . 1 1 73 73 ARG HG2 H 1 1.643 0.000 . 2 . . . . 73 R HG2 . 16466 1
482 . 1 1 73 73 ARG N N 15 113.053 0.008 . 1 . . . . 73 R N . 16466 1
483 . 1 1 73 73 ARG NE N 15 117.778 0.040 . 1 . . . . 73 R NE . 16466 1
484 . 1 1 74 74 LYS H H 1 7.664 0.002 . 1 . . . . 74 K HN . 16466 1
485 . 1 1 74 74 LYS HA H 1 4.597 0.001 . 1 . . . . 74 K HA . 16466 1
486 . 1 1 74 74 LYS HB2 H 1 1.924 0.014 . 2 . . . . 74 K HB2 . 16466 1
487 . 1 1 74 74 LYS HD2 H 1 1.257 0.002 . 2 . . . . 74 K HD2 . 16466 1
488 . 1 1 74 74 LYS HG2 H 1 0.987 0.002 . 2 . . . . 74 K HG2 . 16466 1
489 . 1 1 74 74 LYS N N 15 121.711 0.035 . 1 . . . . 74 K N . 16466 1
490 . 1 1 75 75 LEU H H 1 8.805 0.008 . 1 . . . . 75 L HN . 16466 1
491 . 1 1 75 75 LEU HA H 1 2.354 0.002 . 1 . . . . 75 L HA . 16466 1
492 . 1 1 75 75 LEU N N 15 130.480 0.054 . 1 . . . . 75 L N . 16466 1
493 . 1 1 76 76 TYR H H 1 7.149 0.007 . 1 . . . . 76 Y HN . 16466 1
494 . 1 1 76 76 TYR HA H 1 5.410 0.006 . 1 . . . . 76 Y HA . 16466 1
495 . 1 1 76 76 TYR HB2 H 1 2.222 0.004 . 2 . . . . 76 Y HB2 . 16466 1
496 . 1 1 76 76 TYR HB3 H 1 2.539 0.001 . 2 . . . . 76 Y HB3 . 16466 1
497 . 1 1 76 76 TYR HD1 H 1 6.204 0.001 . 3 . . . . 76 Y QD . 16466 1
498 . 1 1 76 76 TYR HD2 H 1 6.204 0.001 . 3 . . . . 76 Y QD . 16466 1
499 . 1 1 76 76 TYR N N 15 107.886 0.075 . 1 . . . . 76 Y N . 16466 1
500 . 1 1 77 77 ASP H H 1 8.557 0.006 . 1 . . . . 77 D HN . 16466 1
501 . 1 1 77 77 ASP HA H 1 4.095 0.001 . 1 . . . . 77 D HA . 16466 1
502 . 1 1 77 77 ASP HB2 H 1 2.338 0.004 . 2 . . . . 77 D HB2 . 16466 1
503 . 1 1 77 77 ASP HB3 H 1 2.525 0.004 . 2 . . . . 77 D HB3 . 16466 1
504 . 1 1 77 77 ASP N N 15 116.171 0.010 . 1 . . . . 77 D N . 16466 1
505 . 1 1 78 78 TYR H H 1 8.723 0.004 . 1 . . . . 78 Y HN . 16466 1
506 . 1 1 78 78 TYR HA H 1 4.577 0.019 . 1 . . . . 78 Y HA . 16466 1
507 . 1 1 78 78 TYR HB2 H 1 2.518 0.001 . 2 . . . . 78 Y HB2 . 16466 1
508 . 1 1 78 78 TYR HB3 H 1 3.315 0.004 . 2 . . . . 78 Y HB3 . 16466 1
509 . 1 1 78 78 TYR HD1 H 1 7.156 0.001 . 3 . . . . 78 Y QD . 16466 1
510 . 1 1 78 78 TYR HD2 H 1 7.156 0.001 . 3 . . . . 78 Y QD . 16466 1
511 . 1 1 78 78 TYR HE1 H 1 6.741 0.006 . 3 . . . . 78 Y QE . 16466 1
512 . 1 1 78 78 TYR HE2 H 1 6.741 0.006 . 3 . . . . 78 Y QE . 16466 1
513 . 1 1 78 78 TYR N N 15 118.199 0.048 . 1 . . . . 78 Y N . 16466 1
514 . 1 1 79 79 CYS H H 1 8.718 0.001 . 1 . . . . 79 C HN . 16466 1
515 . 1 1 79 79 CYS HA H 1 4.758 0.010 . 1 . . . . 79 C HA . 16466 1
516 . 1 1 79 79 CYS HB2 H 1 2.958 0.009 . 2 . . . . 79 C HB2 . 16466 1
517 . 1 1 79 79 CYS HB3 H 1 3.125 0.000 . 2 . . . . 79 C HB3 . 16466 1
518 . 1 1 79 79 CYS N N 15 116.747 0.040 . 1 . . . . 79 C N . 16466 1
519 . 1 1 80 80 ASP H H 1 9.093 0.001 . 1 . . . . 80 D HN . 16466 1
520 . 1 1 80 80 ASP HA H 1 4.568 0.003 . 1 . . . . 80 D HA . 16466 1
521 . 1 1 80 80 ASP HB2 H 1 2.315 0.007 . 2 . . . . 80 D HB2 . 16466 1
522 . 1 1 80 80 ASP HB3 H 1 2.847 0.006 . 2 . . . . 80 D HB3 . 16466 1
523 . 1 1 80 80 ASP N N 15 122.193 0.006 . 1 . . . . 80 D N . 16466 1
524 . 1 1 81 81 VAL H H 1 7.782 0.006 . 1 . . . . 81 V HN . 16466 1
525 . 1 1 81 81 VAL HA H 1 4.102 0.006 . 1 . . . . 81 V HA . 16466 1
526 . 1 1 81 81 VAL HB H 1 1.941 0.004 . 1 . . . . 81 V HB . 16466 1
527 . 1 1 81 81 VAL HG11 H 1 0.361 0.001 . . . . . . 81 V QG1 . 16466 1
528 . 1 1 81 81 VAL HG12 H 1 0.361 0.001 . . . . . . 81 V QG1 . 16466 1
529 . 1 1 81 81 VAL HG13 H 1 0.361 0.001 . . . . . . 81 V QG1 . 16466 1
530 . 1 1 81 81 VAL HG21 H 1 0.367 0.000 . . . . . . 81 V QG2 . 16466 1
531 . 1 1 81 81 VAL HG22 H 1 0.367 0.000 . . . . . . 81 V QG2 . 16466 1
532 . 1 1 81 81 VAL HG23 H 1 0.367 0.000 . . . . . . 81 V QG2 . 16466 1
533 . 1 1 81 81 VAL N N 15 123.869 0.095 . 1 . . . . 81 V N . 16466 1
534 . 1 1 82 82 PRO HA H 1 4.490 0.030 . 1 . . . . 82 P HA . 16466 1
535 . 1 1 82 82 PRO HB2 H 1 2.260 0.002 . 2 . . . . 82 P HB2 . 16466 1
536 . 1 1 82 82 PRO HD2 H 1 3.439 0.013 . 2 . . . . 82 P HD2 . 16466 1
537 . 1 1 82 82 PRO HD3 H 1 3.718 0.007 . 2 . . . . 82 P HD3 . 16466 1
538 . 1 1 82 82 PRO HG2 H 1 1.920 0.054 . 2 . . . . 82 P HG2 . 16466 1
539 . 1 1 83 83 GLN H H 1 8.599 0.001 . 1 . . . . 83 Q HN . 16466 1
540 . 1 1 83 83 GLN HA H 1 4.744 0.002 . 1 . . . . 83 Q HA . 16466 1
541 . 1 1 83 83 GLN HB2 H 1 1.931 0.001 . 2 . . . . 83 Q HB2 . 16466 1
542 . 1 1 83 83 GLN HB3 H 1 2.097 0.000 . 2 . . . . 83 Q HB3 . 16466 1
543 . 1 1 83 83 GLN HE21 H 1 7.592 0.004 . 2 . . . . 83 Q HE21 . 16466 1
544 . 1 1 83 83 GLN HE22 H 1 7.707 0.000 . 2 . . . . 83 Q HE22 . 16466 1
545 . 1 1 83 83 GLN HG2 H 1 2.501 0.006 . 2 . . . . 83 Q HG2 . 16466 1
546 . 1 1 83 83 GLN N N 15 119.091 0.037 . 1 . . . . 83 Q N . 16466 1
547 . 1 1 83 83 GLN NE2 N 15 114.015 0.001 . 1 . . . . 83 Q NE2 . 16466 1
548 . 1 1 84 84 CYS H H 1 8.873 0.001 . 1 . . . . 84 C HN . 16466 1
549 . 1 1 84 84 CYS HA H 1 4.370 0.004 . 1 . . . . 84 C HA . 16466 1
550 . 1 1 84 84 CYS HB2 H 1 1.448 0.015 . 2 . . . . 84 C HB2 . 16466 1
551 . 1 1 84 84 CYS HB3 H 1 2.871 0.005 . 2 . . . . 84 C HB3 . 16466 1
552 . 1 1 84 84 CYS N N 15 123.746 0.016 . 1 . . . . 84 C N . 16466 1
553 . 1 1 85 85 ALA H H 1 8.556 0.001 . 1 . . . . 85 A HN . 16466 1
554 . 1 1 85 85 ALA HA H 1 4.347 0.009 . 1 . . . . 85 A HA . 16466 1
555 . 1 1 85 85 ALA HB1 H 1 1.410 0.004 . . . . . . 85 A QB . 16466 1
556 . 1 1 85 85 ALA HB2 H 1 1.410 0.004 . . . . . . 85 A QB . 16466 1
557 . 1 1 85 85 ALA HB3 H 1 1.410 0.004 . . . . . . 85 A QB . 16466 1
558 . 1 1 85 85 ALA N N 15 125.635 0.003 . 1 . . . . 85 A N . 16466 1
559 . 1 1 86 86 ALA H H 1 7.964 0.001 . 1 . . . . 86 A HN . 16466 1
560 . 1 1 86 86 ALA HA H 1 4.174 0.004 . 1 . . . . 86 A HA . 16466 1
561 . 1 1 86 86 ALA HB1 H 1 1.389 0.001 . . . . . . 86 A QB . 16466 1
562 . 1 1 86 86 ALA HB2 H 1 1.389 0.001 . . . . . . 86 A QB . 16466 1
563 . 1 1 86 86 ALA HB3 H 1 1.389 0.001 . . . . . . 86 A QB . 16466 1
564 . 1 1 86 86 ALA N N 15 128.801 0.035 . 1 . . . . 86 A N . 16466 1
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