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 18680
_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 '3D CBCA(CO)NH' . . . 18680 1
2 '3D HNCO' . . . 18680 1
3 '3D HNCACB' . . . 18680 1
4 '3D HBHA(CO)NH' . . . 18680 1
5 '3D HCCH-TOCSY' . . . 18680 1
6 '3D HNHA' . . . 18680 1
9 '3D HN(CO)CA' . . . 18680 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 2 2 GLU HA H 1 4.384 0.008 . 1 . . . A 2 GLU HA . 18680 1
2 . 1 1 2 2 GLU HB2 H 1 2.025 0.000 . 1 . . . A 2 GLU HB2 . 18680 1
3 . 1 1 2 2 GLU HB3 H 1 2.025 0.000 . 1 . . . A 2 GLU HB3 . 18680 1
4 . 1 1 2 2 GLU HG2 H 1 2.018 0.000 . 1 . . . A 2 GLU HG2 . 18680 1
5 . 1 1 2 2 GLU HG3 H 1 2.151 0.001 . 1 . . . A 2 GLU HG3 . 18680 1
6 . 1 1 2 2 GLU C C 13 174.000 0.000 . 1 . . . A 2 GLU C . 18680 1
7 . 1 1 2 2 GLU CB C 13 26.750 0.000 . 1 . . . A 2 GLU CB . 18680 1
8 . 1 1 2 2 GLU CG C 13 33.240 0.000 . 1 . . . A 2 GLU CG . 18680 1
9 . 1 1 3 3 GLN H H 1 8.207 0.009 . 1 . . . A 3 GLN H . 18680 1
10 . 1 1 3 3 GLN HA H 1 5.164 0.003 . 1 . . . A 3 GLN HA . 18680 1
11 . 1 1 3 3 GLN HB2 H 1 2.157 0.004 . 1 . . . A 3 GLN HB2 . 18680 1
12 . 1 1 3 3 GLN HB3 H 1 2.012 0.005 . 1 . . . A 3 GLN HB3 . 18680 1
13 . 1 1 3 3 GLN HG2 H 1 2.333 0.006 . 1 . . . A 3 GLN HG2 . 18680 1
14 . 1 1 3 3 GLN HG3 H 1 2.333 0.006 . 1 . . . A 3 GLN HG3 . 18680 1
15 . 1 1 3 3 GLN HE21 H 1 7.481 0.002 . 1 . . . A 3 GLN HE21 . 18680 1
16 . 1 1 3 3 GLN HE22 H 1 6.745 0.004 . 1 . . . A 3 GLN HE22 . 18680 1
17 . 1 1 3 3 GLN C C 13 175.957 0.000 . 1 . . . A 3 GLN C . 18680 1
18 . 1 1 3 3 GLN CA C 13 54.114 0.050 . 1 . . . A 3 GLN CA . 18680 1
19 . 1 1 3 3 GLN CB C 13 31.857 0.119 . 1 . . . A 3 GLN CB . 18680 1
20 . 1 1 3 3 GLN CG C 13 33.866 0.056 . 1 . . . A 3 GLN CG . 18680 1
21 . 1 1 3 3 GLN N N 15 116.986 0.002 . 1 . . . A 3 GLN N . 18680 1
22 . 1 1 3 3 GLN NE2 N 15 111.536 0.031 . 1 . . . A 3 GLN NE2 . 18680 1
23 . 1 1 4 4 GLY H H 1 8.672 0.005 . 1 . . . A 4 GLY H . 18680 1
24 . 1 1 4 4 GLY HA2 H 1 4.691 0.005 . 1 . . . A 4 GLY HA2 . 18680 1
25 . 1 1 4 4 GLY HA3 H 1 4.691 0.005 . 1 . . . A 4 GLY HA3 . 18680 1
26 . 1 1 4 4 GLY C C 13 172.211 0.000 . 1 . . . A 4 GLY C . 18680 1
27 . 1 1 4 4 GLY CA C 13 45.669 0.000 . 1 . . . A 4 GLY CA . 18680 1
28 . 1 1 4 4 GLY N N 15 108.379 0.039 . 1 . . . A 4 GLY N . 18680 1
29 . 1 1 5 5 THR H H 1 8.544 0.003 . 1 . . . A 5 THR H . 18680 1
30 . 1 1 5 5 THR HA H 1 5.236 0.005 . 1 . . . A 5 THR HA . 18680 1
31 . 1 1 5 5 THR HB H 1 3.752 0.000 . 1 . . . A 5 THR HB . 18680 1
32 . 1 1 5 5 THR HG21 H 1 1.072 0.003 . 1 . . . A 5 THR HG1 . 18680 1
33 . 1 1 5 5 THR HG22 H 1 1.072 0.003 . 1 . . . A 5 THR HG1 . 18680 1
34 . 1 1 5 5 THR HG23 H 1 1.072 0.003 . 1 . . . A 5 THR HG1 . 18680 1
35 . 1 1 5 5 THR C C 13 174.086 0.000 . 1 . . . A 5 THR C . 18680 1
36 . 1 1 5 5 THR CA C 13 59.981 0.057 . 1 . . . A 5 THR CA . 18680 1
37 . 1 1 5 5 THR CB C 13 71.675 0.000 . 1 . . . A 5 THR CB . 18680 1
38 . 1 1 5 5 THR N N 15 114.215 0.011 . 1 . . . A 5 THR N . 18680 1
39 . 1 1 6 6 VAL H H 1 8.859 0.003 . 1 . . . A 6 VAL H . 18680 1
40 . 1 1 6 6 VAL HA H 1 3.553 0.006 . 1 . . . A 6 VAL HA . 18680 1
41 . 1 1 6 6 VAL HB H 1 2.371 0.004 . 1 . . . A 6 VAL HB . 18680 1
42 . 1 1 6 6 VAL HG11 H 1 0.520 0.007 . 1 . . . A 6 VAL HG11 . 18680 1
43 . 1 1 6 6 VAL HG12 H 1 0.520 0.007 . 1 . . . A 6 VAL HG12 . 18680 1
44 . 1 1 6 6 VAL HG13 H 1 0.520 0.007 . 1 . . . A 6 VAL HG13 . 18680 1
45 . 1 1 6 6 VAL HG21 H 1 0.866 0.005 . 1 . . . A 6 VAL HG21 . 18680 1
46 . 1 1 6 6 VAL HG22 H 1 0.866 0.005 . 1 . . . A 6 VAL HG22 . 18680 1
47 . 1 1 6 6 VAL HG23 H 1 0.866 0.005 . 1 . . . A 6 VAL HG23 . 18680 1
48 . 1 1 6 6 VAL C C 13 175.510 0.000 . 1 . . . A 6 VAL C . 18680 1
49 . 1 1 6 6 VAL CA C 13 64.827 0.046 . 1 . . . A 6 VAL CA . 18680 1
50 . 1 1 6 6 VAL CB C 13 31.691 0.033 . 1 . . . A 6 VAL CB . 18680 1
51 . 1 1 6 6 VAL CG1 C 13 21.380 0.109 . 1 . . . A 6 VAL CG1 . 18680 1
52 . 1 1 6 6 VAL CG2 C 13 24.255 0.027 . 1 . . . A 6 VAL CG2 . 18680 1
53 . 1 1 6 6 VAL N N 15 125.567 0.003 . 1 . . . A 6 VAL N . 18680 1
54 . 1 1 7 7 LYS H H 1 9.279 0.002 . 1 . . . A 7 LYS H . 18680 1
55 . 1 1 7 7 LYS HA H 1 4.285 0.005 . 1 . . . A 7 LYS HA . 18680 1
56 . 1 1 7 7 LYS HB2 H 1 1.644 0.006 . 1 . . . A 7 LYS HB2 . 18680 1
57 . 1 1 7 7 LYS HB3 H 1 1.773 0.003 . 1 . . . A 7 LYS HB3 . 18680 1
58 . 1 1 7 7 LYS HG2 H 1 1.571 0.009 . 1 . . . A 7 LYS HG2 . 18680 1
59 . 1 1 7 7 LYS HG3 H 1 1.615 0.001 . 1 . . . A 7 LYS HG3 . 18680 1
60 . 1 1 7 7 LYS HD2 H 1 1.982 0.004 . 1 . . . A 7 LYS HD2 . 18680 1
61 . 1 1 7 7 LYS HD3 H 1 2.143 0.007 . 1 . . . A 7 LYS HD3 . 18680 1
62 . 1 1 7 7 LYS HE2 H 1 3.034 0.010 . 1 . . . A 7 LYS HE2 . 18680 1
63 . 1 1 7 7 LYS HE3 H 1 3.034 0.010 . 1 . . . A 7 LYS HE3 . 18680 1
64 . 1 1 7 7 LYS HZ1 H 1 7.081 0.000 . 1 . . . A 7 LYS HZ1 . 18680 1
65 . 1 1 7 7 LYS HZ2 H 1 7.077 0.000 . 1 . . . A 7 LYS HZ2 . 18680 1
66 . 1 1 7 7 LYS HZ3 H 1 7.081 0.000 . 1 . . . A 7 LYS HZ3 . 18680 1
67 . 1 1 7 7 LYS C C 13 176.029 0.000 . 1 . . . A 7 LYS C . 18680 1
68 . 1 1 7 7 LYS CA C 13 58.549 0.000 . 1 . . . A 7 LYS CA . 18680 1
69 . 1 1 7 7 LYS CB C 13 34.865 0.167 . 1 . . . A 7 LYS CB . 18680 1
70 . 1 1 7 7 LYS CG C 13 25.116 0.028 . 1 . . . A 7 LYS CG . 18680 1
71 . 1 1 7 7 LYS CD C 13 29.318 0.000 . 1 . . . A 7 LYS CD . 18680 1
72 . 1 1 7 7 LYS CE C 13 41.629 0.074 . 1 . . . A 7 LYS CE . 18680 1
73 . 1 1 7 7 LYS N N 15 135.119 0.029 . 1 . . . A 7 LYS N . 18680 1
74 . 1 1 8 8 TRP H H 1 7.437 0.003 . 1 . . . A 8 TRP H . 18680 1
75 . 1 1 8 8 TRP HA H 1 4.615 0.012 . 1 . . . A 8 TRP HA . 18680 1
76 . 1 1 8 8 TRP HB2 H 1 3.359 0.014 . 1 . . . A 8 TRP HB2 . 18680 1
77 . 1 1 8 8 TRP HB3 H 1 3.511 0.021 . 1 . . . A 8 TRP HB3 . 18680 1
78 . 1 1 8 8 TRP HE1 H 1 10.448 0.004 . 1 . . . A 8 TRP HE1 . 18680 1
79 . 1 1 8 8 TRP C C 13 173.607 0.000 . 1 . . . A 8 TRP C . 18680 1
80 . 1 1 8 8 TRP CA C 13 56.060 0.000 . 1 . . . A 8 TRP CA . 18680 1
81 . 1 1 8 8 TRP CB C 13 31.013 0.024 . 1 . . . A 8 TRP CB . 18680 1
82 . 1 1 8 8 TRP N N 15 111.492 0.038 . 1 . . . A 8 TRP N . 18680 1
83 . 1 1 8 8 TRP NE1 N 15 130.059 0.000 . 1 . . . A 8 TRP NE1 . 18680 1
84 . 1 1 9 9 PHE H H 1 9.254 0.003 . 1 . . . A 9 PHE H . 18680 1
85 . 1 1 9 9 PHE HA H 1 4.232 0.019 . 1 . . . A 9 PHE HA . 18680 1
86 . 1 1 9 9 PHE HB2 H 1 2.391 0.012 . 1 . . . A 9 PHE HB2 . 18680 1
87 . 1 1 9 9 PHE HB3 H 1 2.936 0.012 . 1 . . . A 9 PHE HB3 . 18680 1
88 . 1 1 9 9 PHE C C 13 172.478 0.000 . 1 . . . A 9 PHE C . 18680 1
89 . 1 1 9 9 PHE CA C 13 59.188 0.000 . 1 . . . A 9 PHE CA . 18680 1
90 . 1 1 9 9 PHE CB C 13 42.218 0.028 . 1 . . . A 9 PHE CB . 18680 1
91 . 1 1 9 9 PHE N N 15 120.978 0.010 . 1 . . . A 9 PHE N . 18680 1
92 . 1 1 10 10 ASN H H 1 8.220 0.006 . 1 . . . A 10 ASN H . 18680 1
93 . 1 1 10 10 ASN HA H 1 4.813 0.013 . 1 . . . A 10 ASN HA . 18680 1
94 . 1 1 10 10 ASN HB2 H 1 2.499 0.010 . 1 . . . A 10 ASN HB2 . 18680 1
95 . 1 1 10 10 ASN HB3 H 1 2.499 0.010 . 1 . . . A 10 ASN HB3 . 18680 1
96 . 1 1 10 10 ASN HD21 H 1 6.912 0.004 . 1 . . . A 10 ASN HD21 . 18680 1
97 . 1 1 10 10 ASN HD22 H 1 6.765 0.002 . 1 . . . A 10 ASN HD22 . 18680 1
98 . 1 1 10 10 ASN C C 13 174.155 0.000 . 1 . . . A 10 ASN C . 18680 1
99 . 1 1 10 10 ASN CA C 13 51.532 0.000 . 1 . . . A 10 ASN CA . 18680 1
100 . 1 1 10 10 ASN CB C 13 39.340 0.000 . 1 . . . A 10 ASN CB . 18680 1
101 . 1 1 10 10 ASN N N 15 127.135 0.019 . 1 . . . A 10 ASN N . 18680 1
102 . 1 1 10 10 ASN ND2 N 15 112.421 0.030 . 1 . . . A 10 ASN ND2 . 18680 1
103 . 1 1 11 11 ALA H H 1 9.043 0.002 . 1 . . . A 11 ALA H . 18680 1
104 . 1 1 11 11 ALA HA H 1 4.059 0.005 . 1 . . . A 11 ALA HA . 18680 1
105 . 1 1 11 11 ALA HB1 H 1 1.598 0.011 . 1 . . . A 11 ALA HB1 . 18680 1
106 . 1 1 11 11 ALA HB2 H 1 1.598 0.011 . 1 . . . A 11 ALA HB2 . 18680 1
107 . 1 1 11 11 ALA HB3 H 1 1.598 0.011 . 1 . . . A 11 ALA HB3 . 18680 1
108 . 1 1 11 11 ALA C C 13 178.815 0.000 . 1 . . . A 11 ALA C . 18680 1
109 . 1 1 11 11 ALA CA C 13 54.572 0.001 . 1 . . . A 11 ALA CA . 18680 1
110 . 1 1 11 11 ALA CB C 13 18.704 0.001 . 1 . . . A 11 ALA CB . 18680 1
111 . 1 1 11 11 ALA N N 15 128.688 0.029 . 1 . . . A 11 ALA N . 18680 1
112 . 1 1 12 12 GLU H H 1 8.121 0.010 . 1 . . . A 12 GLU H . 18680 1
113 . 1 1 12 12 GLU HA H 1 4.033 0.006 . 1 . . . A 12 GLU HA . 18680 1
114 . 1 1 12 12 GLU HB2 H 1 2.142 0.060 . 1 . . . A 12 GLU HB2 . 18680 1
115 . 1 1 12 12 GLU HB3 H 1 2.142 0.060 . 1 . . . A 12 GLU HB3 . 18680 1
116 . 1 1 12 12 GLU HG2 H 1 2.263 0.005 . 1 . . . A 12 GLU HG2 . 18680 1
117 . 1 1 12 12 GLU HG3 H 1 2.263 0.005 . 1 . . . A 12 GLU HG3 . 18680 1
118 . 1 1 12 12 GLU C C 13 178.348 0.000 . 1 . . . A 12 GLU C . 18680 1
119 . 1 1 12 12 GLU CA C 13 59.047 0.057 . 1 . . . A 12 GLU CA . 18680 1
120 . 1 1 12 12 GLU CB C 13 29.281 0.061 . 1 . . . A 12 GLU CB . 18680 1
121 . 1 1 12 12 GLU CG C 13 36.659 0.000 . 1 . . . A 12 GLU CG . 18680 1
122 . 1 1 12 12 GLU N N 15 117.999 0.040 . 1 . . . A 12 GLU N . 18680 1
123 . 1 1 13 13 LYS H H 1 7.562 0.002 . 1 . . . A 13 LYS H . 18680 1
124 . 1 1 13 13 LYS HA H 1 4.236 0.009 . 1 . . . A 13 LYS HA . 18680 1
125 . 1 1 13 13 LYS HB2 H 1 1.122 0.003 . 1 . . . A 13 LYS HB2 . 18680 1
126 . 1 1 13 13 LYS HB3 H 1 1.836 0.019 . 1 . . . A 13 LYS HB3 . 18680 1
127 . 1 1 13 13 LYS HG2 H 1 1.366 0.012 . 1 . . . A 13 LYS HG2 . 18680 1
128 . 1 1 13 13 LYS HG3 H 1 1.428 0.008 . 1 . . . A 13 LYS HG3 . 18680 1
129 . 1 1 13 13 LYS HD2 H 1 1.870 0.000 . 1 . . . A 13 LYS HD2 . 18680 1
130 . 1 1 13 13 LYS HD3 H 1 2.071 0.000 . 1 . . . A 13 LYS HD3 . 18680 1
131 . 1 1 13 13 LYS HE2 H 1 3.021 0.013 . 1 . . . A 13 LYS HE2 . 18680 1
132 . 1 1 13 13 LYS HE3 H 1 3.021 0.013 . 1 . . . A 13 LYS HE3 . 18680 1
133 . 1 1 13 13 LYS C C 13 177.411 0.000 . 1 . . . A 13 LYS C . 18680 1
134 . 1 1 13 13 LYS CA C 13 56.407 0.000 . 1 . . . A 13 LYS CA . 18680 1
135 . 1 1 13 13 LYS CB C 13 33.883 0.149 . 1 . . . A 13 LYS CB . 18680 1
136 . 1 1 13 13 LYS CG C 13 25.880 0.052 . 1 . . . A 13 LYS CG . 18680 1
137 . 1 1 13 13 LYS CD C 13 29.453 0.000 . 1 . . . A 13 LYS CD . 18680 1
138 . 1 1 13 13 LYS CE C 13 41.670 0.000 . 1 . . . A 13 LYS CE . 18680 1
139 . 1 1 13 13 LYS N N 15 116.143 0.027 . 1 . . . A 13 LYS N . 18680 1
140 . 1 1 14 14 GLY H H 1 8.178 0.004 . 1 . . . A 14 GLY H . 18680 1
141 . 1 1 14 14 GLY HA2 H 1 4.136 0.007 . 1 . . . A 14 GLY HA2 . 18680 1
142 . 1 1 14 14 GLY HA3 H 1 4.136 0.007 . 1 . . . A 14 GLY HA3 . 18680 1
143 . 1 1 14 14 GLY C C 13 172.411 0.000 . 1 . . . A 14 GLY C . 18680 1
144 . 1 1 14 14 GLY CA C 13 46.460 0.000 . 1 . . . A 14 GLY CA . 18680 1
145 . 1 1 14 14 GLY N N 15 107.674 0.024 . 1 . . . A 14 GLY N . 18680 1
146 . 1 1 15 15 PHE H H 1 6.655 0.003 . 1 . . . A 15 PHE H . 18680 1
147 . 1 1 15 15 PHE HA H 1 5.044 0.024 . 1 . . . A 15 PHE HA . 18680 1
148 . 1 1 15 15 PHE HB2 H 1 2.801 0.026 . 1 . . . A 15 PHE HB2 . 18680 1
149 . 1 1 15 15 PHE HB3 H 1 2.929 0.015 . 1 . . . A 15 PHE HB3 . 18680 1
150 . 1 1 15 15 PHE C C 13 171.846 0.000 . 1 . . . A 15 PHE C . 18680 1
151 . 1 1 15 15 PHE CA C 13 55.320 0.000 . 1 . . . A 15 PHE CA . 18680 1
152 . 1 1 15 15 PHE CB C 13 41.882 0.002 . 1 . . . A 15 PHE CB . 18680 1
153 . 1 1 15 15 PHE N N 15 112.634 0.016 . 1 . . . A 15 PHE N . 18680 1
154 . 1 1 16 16 GLY H H 1 8.018 0.015 . 1 . . . A 16 GLY H . 18680 1
155 . 1 1 16 16 GLY HA2 H 1 3.867 0.001 . 1 . . . A 16 GLY HA2 . 18680 1
156 . 1 1 16 16 GLY HA3 H 1 3.867 0.001 . 1 . . . A 16 GLY HA3 . 18680 1
157 . 1 1 16 16 GLY C C 13 170.465 0.000 . 1 . . . A 16 GLY C . 18680 1
158 . 1 1 16 16 GLY CA C 13 45.210 0.000 . 1 . . . A 16 GLY CA . 18680 1
159 . 1 1 16 16 GLY N N 15 105.546 0.001 . 1 . . . A 16 GLY N . 18680 1
160 . 1 1 17 17 PHE H H 1 7.746 0.003 . 1 . . . A 17 PHE H . 18680 1
161 . 1 1 17 17 PHE HA H 1 5.169 0.036 . 1 . . . A 17 PHE HA . 18680 1
162 . 1 1 17 17 PHE HB2 H 1 2.168 0.019 . 1 . . . A 17 PHE HB2 . 18680 1
163 . 1 1 17 17 PHE HB3 H 1 2.551 0.017 . 1 . . . A 17 PHE HB3 . 18680 1
164 . 1 1 17 17 PHE C C 13 174.567 0.000 . 1 . . . A 17 PHE C . 18680 1
165 . 1 1 17 17 PHE CA C 13 56.740 0.014 . 1 . . . A 17 PHE CA . 18680 1
166 . 1 1 17 17 PHE CB C 13 45.922 0.022 . 1 . . . A 17 PHE CB . 18680 1
167 . 1 1 17 17 PHE N N 15 114.706 0.005 . 1 . . . A 17 PHE N . 18680 1
168 . 1 1 18 18 ILE H H 1 9.414 0.002 . 1 . . . A 18 ILE H . 18680 1
169 . 1 1 18 18 ILE HA H 1 4.135 0.007 . 1 . . . A 18 ILE HA . 18680 1
170 . 1 1 18 18 ILE HB H 1 1.003 0.005 . 1 . . . A 18 ILE HB . 18680 1
171 . 1 1 18 18 ILE HG12 H 1 0.281 0.002 . 1 . . . A 18 ILE HG12 . 18680 1
172 . 1 1 18 18 ILE HG13 H 1 1.145 0.007 . 1 . . . A 18 ILE HG13 . 18680 1
173 . 1 1 18 18 ILE HG21 H 1 0.288 0.007 . 1 . . . A 18 ILE HG21 . 18680 1
174 . 1 1 18 18 ILE HG22 H 1 0.288 0.007 . 1 . . . A 18 ILE HG22 . 18680 1
175 . 1 1 18 18 ILE HG23 H 1 0.288 0.007 . 1 . . . A 18 ILE HG23 . 18680 1
176 . 1 1 18 18 ILE HD11 H 1 -0.199 0.004 . 1 . . . A 18 ILE HD11 . 18680 1
177 . 1 1 18 18 ILE HD12 H 1 -0.199 0.004 . 1 . . . A 18 ILE HD12 . 18680 1
178 . 1 1 18 18 ILE HD13 H 1 -0.199 0.004 . 1 . . . A 18 ILE HD13 . 18680 1
179 . 1 1 18 18 ILE C C 13 174.418 0.000 . 1 . . . A 18 ILE C . 18680 1
180 . 1 1 18 18 ILE CA C 13 59.917 0.087 . 1 . . . A 18 ILE CA . 18680 1
181 . 1 1 18 18 ILE CB C 13 41.519 0.014 . 1 . . . A 18 ILE CB . 18680 1
182 . 1 1 18 18 ILE CG1 C 13 28.065 0.035 . 1 . . . A 18 ILE CG1 . 18680 1
183 . 1 1 18 18 ILE CG2 C 13 18.141 0.055 . 1 . . . A 18 ILE CG2 . 18680 1
184 . 1 1 18 18 ILE CD1 C 13 13.643 0.018 . 1 . . . A 18 ILE CD1 . 18680 1
185 . 1 1 18 18 ILE N N 15 122.670 0.028 . 1 . . . A 18 ILE N . 18680 1
186 . 1 1 19 19 GLU H H 1 9.271 0.005 . 1 . . . A 19 GLU H . 18680 1
187 . 1 1 19 19 GLU HA H 1 4.930 0.012 . 1 . . . A 19 GLU HA . 18680 1
188 . 1 1 19 19 GLU HB2 H 1 1.997 0.016 . 1 . . . A 19 GLU HB2 . 18680 1
189 . 1 1 19 19 GLU HB3 H 1 2.021 0.014 . 1 . . . A 19 GLU HB3 . 18680 1
190 . 1 1 19 19 GLU HG2 H 1 2.272 0.010 . 1 . . . A 19 GLU HG2 . 18680 1
191 . 1 1 19 19 GLU HG3 H 1 2.308 0.000 . 1 . . . A 19 GLU HG3 . 18680 1
192 . 1 1 19 19 GLU C C 13 175.136 0.000 . 1 . . . A 19 GLU C . 18680 1
193 . 1 1 19 19 GLU CA C 13 55.031 0.168 . 1 . . . A 19 GLU CA . 18680 1
194 . 1 1 19 19 GLU CB C 13 32.398 0.000 . 1 . . . A 19 GLU CB . 18680 1
195 . 1 1 19 19 GLU CG C 13 36.079 0.007 . 1 . . . A 19 GLU CG . 18680 1
196 . 1 1 19 19 GLU N N 15 126.801 0.023 . 1 . . . A 19 GLU N . 18680 1
197 . 1 1 20 20 ARG H H 1 9.427 0.003 . 1 . . . A 20 ARG H . 18680 1
198 . 1 1 20 20 ARG HA H 1 4.169 0.011 . 1 . . . A 20 ARG HA . 18680 1
199 . 1 1 20 20 ARG HB2 H 1 2.111 0.007 . 1 . . . A 20 ARG HB2 . 18680 1
200 . 1 1 20 20 ARG HB3 H 1 2.111 0.007 . 1 . . . A 20 ARG HB3 . 18680 1
201 . 1 1 20 20 ARG HG2 H 1 2.517 0.005 . 1 . . . A 20 ARG HG2 . 18680 1
202 . 1 1 20 20 ARG HG3 H 1 2.517 0.005 . 1 . . . A 20 ARG HG3 . 18680 1
203 . 1 1 20 20 ARG C C 13 176.313 0.000 . 1 . . . A 20 ARG C . 18680 1
204 . 1 1 20 20 ARG CA C 13 55.071 0.150 . 1 . . . A 20 ARG CA . 18680 1
205 . 1 1 20 20 ARG CB C 13 33.049 0.040 . 1 . . . A 20 ARG CB . 18680 1
206 . 1 1 20 20 ARG CG C 13 31.165 0.069 . 1 . . . A 20 ARG CG . 18680 1
207 . 1 1 20 20 ARG N N 15 123.599 0.033 . 1 . . . A 20 ARG N . 18680 1
208 . 1 1 21 21 GLU H H 1 9.065 0.002 . 1 . . . A 21 GLU H . 18680 1
209 . 1 1 21 21 GLU HA H 1 4.123 0.003 . 1 . . . A 21 GLU HA . 18680 1
210 . 1 1 21 21 GLU HB2 H 1 2.058 0.007 . 1 . . . A 21 GLU HB2 . 18680 1
211 . 1 1 21 21 GLU HB3 H 1 2.274 0.014 . 1 . . . A 21 GLU HB3 . 18680 1
212 . 1 1 21 21 GLU HG2 H 1 2.289 0.000 . 1 . . . A 21 GLU HG2 . 18680 1
213 . 1 1 21 21 GLU HG3 H 1 2.395 0.008 . 1 . . . A 21 GLU HG3 . 18680 1
214 . 1 1 21 21 GLU C C 13 177.242 0.000 . 1 . . . A 21 GLU C . 18680 1
215 . 1 1 21 21 GLU CA C 13 58.758 0.021 . 1 . . . A 21 GLU CA . 18680 1
216 . 1 1 21 21 GLU CB C 13 29.867 0.027 . 1 . . . A 21 GLU CB . 18680 1
217 . 1 1 21 21 GLU CG C 13 36.353 0.113 . 1 . . . A 21 GLU CG . 18680 1
218 . 1 1 21 21 GLU N N 15 121.362 0.034 . 1 . . . A 21 GLU N . 18680 1
219 . 1 1 22 22 ASN H H 1 8.280 0.004 . 1 . . . A 22 ASN H . 18680 1
220 . 1 1 22 22 ASN HA H 1 4.757 0.014 . 1 . . . A 22 ASN HA . 18680 1
221 . 1 1 22 22 ASN HB2 H 1 2.836 0.010 . 1 . . . A 22 ASN HB2 . 18680 1
222 . 1 1 22 22 ASN HB3 H 1 2.913 0.001 . 1 . . . A 22 ASN HB3 . 18680 1
223 . 1 1 22 22 ASN HD21 H 1 7.542 0.000 . 1 . . . A 22 ASN HD21 . 18680 1
224 . 1 1 22 22 ASN HD22 H 1 6.837 0.001 . 1 . . . A 22 ASN HD22 . 18680 1
225 . 1 1 22 22 ASN C C 13 174.890 0.000 . 1 . . . A 22 ASN C . 18680 1
226 . 1 1 22 22 ASN CA C 13 53.260 0.000 . 1 . . . A 22 ASN CA . 18680 1
227 . 1 1 22 22 ASN CB C 13 39.030 0.000 . 1 . . . A 22 ASN CB . 18680 1
228 . 1 1 22 22 ASN N N 15 115.125 0.009 . 1 . . . A 22 ASN N . 18680 1
229 . 1 1 22 22 ASN ND2 N 15 112.357 0.001 . 1 . . . A 22 ASN ND2 . 18680 1
230 . 1 1 23 23 GLY H H 1 7.875 0.003 . 1 . . . A 23 GLY H . 18680 1
231 . 1 1 23 23 GLY HA2 H 1 3.961 0.012 . 1 . . . A 23 GLY HA2 . 18680 1
232 . 1 1 23 23 GLY HA3 H 1 3.961 0.012 . 1 . . . A 23 GLY HA3 . 18680 1
233 . 1 1 23 23 GLY C C 13 173.040 0.000 . 1 . . . A 23 GLY C . 18680 1
234 . 1 1 23 23 GLY CA C 13 44.629 0.133 . 1 . . . A 23 GLY CA . 18680 1
235 . 1 1 23 23 GLY N N 15 107.628 0.014 . 1 . . . A 23 GLY N . 18680 1
236 . 1 1 24 24 ASP H H 1 8.388 0.002 . 1 . . . A 24 ASP H . 18680 1
237 . 1 1 24 24 ASP HA H 1 4.626 0.009 . 1 . . . A 24 ASP HA . 18680 1
238 . 1 1 24 24 ASP HB2 H 1 2.593 0.010 . 1 . . . A 24 ASP HB2 . 18680 1
239 . 1 1 24 24 ASP HB3 H 1 2.856 0.011 . 1 . . . A 24 ASP HB3 . 18680 1
240 . 1 1 24 24 ASP C C 13 175.861 0.000 . 1 . . . A 24 ASP C . 18680 1
241 . 1 1 24 24 ASP CA C 13 54.066 0.041 . 1 . . . A 24 ASP CA . 18680 1
242 . 1 1 24 24 ASP CB C 13 41.687 0.151 . 1 . . . A 24 ASP CB . 18680 1
243 . 1 1 24 24 ASP N N 15 119.673 0.033 . 1 . . . A 24 ASP N . 18680 1
244 . 1 1 25 25 ASP H H 1 8.615 0.002 . 1 . . . A 25 ASP H . 18680 1
245 . 1 1 25 25 ASP HA H 1 5.033 0.034 . 1 . . . A 25 ASP HA . 18680 1
246 . 1 1 25 25 ASP HB2 H 1 2.842 0.014 . 1 . . . A 25 ASP HB2 . 18680 1
247 . 1 1 25 25 ASP HB3 H 1 2.842 0.014 . 1 . . . A 25 ASP HB3 . 18680 1
248 . 1 1 25 25 ASP C C 13 176.182 0.000 . 1 . . . A 25 ASP C . 18680 1
249 . 1 1 25 25 ASP CA C 13 54.860 0.000 . 1 . . . A 25 ASP CA . 18680 1
250 . 1 1 25 25 ASP CB C 13 42.299 0.061 . 1 . . . A 25 ASP CB . 18680 1
251 . 1 1 25 25 ASP N N 15 120.475 0.009 . 1 . . . A 25 ASP N . 18680 1
252 . 1 1 26 26 VAL H H 1 9.290 0.002 . 1 . . . A 26 VAL H . 18680 1
253 . 1 1 26 26 VAL HA H 1 4.342 0.010 . 1 . . . A 26 VAL HA . 18680 1
254 . 1 1 26 26 VAL HB H 1 1.633 0.007 . 1 . . . A 26 VAL HB . 18680 1
255 . 1 1 26 26 VAL HG11 H 1 0.722 0.006 . 1 . . . A 26 VAL HG11 . 18680 1
256 . 1 1 26 26 VAL HG12 H 1 0.722 0.006 . 1 . . . A 26 VAL HG12 . 18680 1
257 . 1 1 26 26 VAL HG13 H 1 0.722 0.006 . 1 . . . A 26 VAL HG13 . 18680 1
258 . 1 1 26 26 VAL HG21 H 1 0.900 0.005 . 1 . . . A 26 VAL HG21 . 18680 1
259 . 1 1 26 26 VAL HG22 H 1 0.900 0.005 . 1 . . . A 26 VAL HG22 . 18680 1
260 . 1 1 26 26 VAL HG23 H 1 0.900 0.005 . 1 . . . A 26 VAL HG23 . 18680 1
261 . 1 1 26 26 VAL C C 13 174.564 0.000 . 1 . . . A 26 VAL C . 18680 1
262 . 1 1 26 26 VAL CA C 13 60.578 0.043 . 1 . . . A 26 VAL CA . 18680 1
263 . 1 1 26 26 VAL CB C 13 34.855 0.006 . 1 . . . A 26 VAL CB . 18680 1
264 . 1 1 26 26 VAL CG1 C 13 21.902 0.030 . 1 . . . A 26 VAL CG1 . 18680 1
265 . 1 1 26 26 VAL CG2 C 13 21.172 0.137 . 1 . . . A 26 VAL CG2 . 18680 1
266 . 1 1 26 26 VAL N N 15 120.104 0.035 . 1 . . . A 26 VAL N . 18680 1
267 . 1 1 27 27 PHE H H 1 8.356 0.003 . 1 . . . A 27 PHE H . 18680 1
268 . 1 1 27 27 PHE HA H 1 3.737 0.012 . 1 . . . A 27 PHE HA . 18680 1
269 . 1 1 27 27 PHE HB2 H 1 2.716 0.010 . 1 . . . A 27 PHE HB2 . 18680 1
270 . 1 1 27 27 PHE HB3 H 1 3.008 0.002 . 1 . . . A 27 PHE HB3 . 18680 1
271 . 1 1 27 27 PHE HD1 H 1 6.719 0.001 . 1 . . . A 27 PHE HD1 . 18680 1
272 . 1 1 27 27 PHE HD2 H 1 6.719 0.001 . 1 . . . A 27 PHE HD2 . 18680 1
273 . 1 1 27 27 PHE C C 13 172.750 0.000 . 1 . . . A 27 PHE C . 18680 1
274 . 1 1 27 27 PHE CA C 13 58.906 0.000 . 1 . . . A 27 PHE CA . 18680 1
275 . 1 1 27 27 PHE CB C 13 40.230 0.000 . 1 . . . A 27 PHE CB . 18680 1
276 . 1 1 27 27 PHE CD1 C 13 132.255 0.069 . 1 . . . A 27 PHE CD1 . 18680 1
277 . 1 1 27 27 PHE CD2 C 13 132.255 0.069 . 1 . . . A 27 PHE CD2 . 18680 1
278 . 1 1 27 27 PHE N N 15 130.351 0.019 . 1 . . . A 27 PHE N . 18680 1
279 . 1 1 28 28 VAL H H 1 7.738 0.003 . 1 . . . A 28 VAL H . 18680 1
280 . 1 1 28 28 VAL HA H 1 4.406 0.020 . 1 . . . A 28 VAL HA . 18680 1
281 . 1 1 28 28 VAL HB H 1 1.358 0.013 . 1 . . . A 28 VAL HB . 18680 1
282 . 1 1 28 28 VAL HG11 H 1 0.500 0.003 . 1 . . . A 28 VAL HG11 . 18680 1
283 . 1 1 28 28 VAL HG12 H 1 0.500 0.003 . 1 . . . A 28 VAL HG12 . 18680 1
284 . 1 1 28 28 VAL HG13 H 1 0.500 0.003 . 1 . . . A 28 VAL HG13 . 18680 1
285 . 1 1 28 28 VAL HG21 H 1 0.385 0.014 . 1 . . . A 28 VAL HG21 . 18680 1
286 . 1 1 28 28 VAL HG22 H 1 0.385 0.014 . 1 . . . A 28 VAL HG22 . 18680 1
287 . 1 1 28 28 VAL HG23 H 1 0.385 0.014 . 1 . . . A 28 VAL HG23 . 18680 1
288 . 1 1 28 28 VAL C C 13 170.415 0.000 . 1 . . . A 28 VAL C . 18680 1
289 . 1 1 28 28 VAL CA C 13 57.733 0.034 . 1 . . . A 28 VAL CA . 18680 1
290 . 1 1 28 28 VAL CB C 13 34.375 0.010 . 1 . . . A 28 VAL CB . 18680 1
291 . 1 1 28 28 VAL CG1 C 13 22.892 0.033 . 1 . . . A 28 VAL CG1 . 18680 1
292 . 1 1 28 28 VAL CG2 C 13 18.193 0.020 . 1 . . . A 28 VAL CG2 . 18680 1
293 . 1 1 28 28 VAL N N 15 124.583 0.022 . 1 . . . A 28 VAL N . 18680 1
294 . 1 1 29 29 HIS H H 1 8.644 0.005 . 1 . . . A 29 HIS H . 18680 1
295 . 1 1 29 29 HIS HA H 1 4.762 0.018 . 1 . . . A 29 HIS HA . 18680 1
296 . 1 1 29 29 HIS HB2 H 1 2.827 0.004 . 1 . . . A 29 HIS HB2 . 18680 1
297 . 1 1 29 29 HIS HB3 H 1 3.084 0.022 . 1 . . . A 29 HIS HB3 . 18680 1
298 . 1 1 29 29 HIS C C 13 177.292 0.000 . 1 . . . A 29 HIS C . 18680 1
299 . 1 1 29 29 HIS CA C 13 55.860 0.000 . 1 . . . A 29 HIS CA . 18680 1
300 . 1 1 29 29 HIS CB C 13 33.550 0.050 . 1 . . . A 29 HIS CB . 18680 1
301 . 1 1 29 29 HIS N N 15 127.671 0.010 . 1 . . . A 29 HIS N . 18680 1
302 . 1 1 30 30 PHE H H 1 8.293 0.002 . 1 . . . A 30 PHE H . 18680 1
303 . 1 1 30 30 PHE HA H 1 4.031 0.012 . 1 . . . A 30 PHE HA . 18680 1
304 . 1 1 30 30 PHE HB2 H 1 3.159 0.021 . 1 . . . A 30 PHE HB2 . 18680 1
305 . 1 1 30 30 PHE HB3 H 1 2.930 0.013 . 1 . . . A 30 PHE HB3 . 18680 1
306 . 1 1 30 30 PHE HD1 H 1 6.934 0.000 . 1 . . . A 30 PHE HD1 . 18680 1
307 . 1 1 30 30 PHE HD2 H 1 6.934 0.000 . 1 . . . A 30 PHE HD2 . 18680 1
308 . 1 1 30 30 PHE C C 13 176.013 0.000 . 1 . . . A 30 PHE C . 18680 1
309 . 1 1 30 30 PHE CA C 13 59.970 0.084 . 1 . . . A 30 PHE CA . 18680 1
310 . 1 1 30 30 PHE CB C 13 37.320 0.087 . 1 . . . A 30 PHE CB . 18680 1
311 . 1 1 30 30 PHE CD1 C 13 131.107 0.000 . 1 . . . A 30 PHE CD1 . 18680 1
312 . 1 1 30 30 PHE CD2 C 13 131.107 0.000 . 1 . . . A 30 PHE CD2 . 18680 1
313 . 1 1 30 30 PHE N N 15 123.263 0.040 . 1 . . . A 30 PHE N . 18680 1
314 . 1 1 31 31 SER H H 1 7.604 0.002 . 1 . . . A 31 SER H . 18680 1
315 . 1 1 31 31 SER HA H 1 3.864 0.007 . 1 . . . A 31 SER HA . 18680 1
316 . 1 1 31 31 SER HB2 H 1 3.505 0.002 . 1 . . . A 31 SER HB2 . 18680 1
317 . 1 1 31 31 SER HB3 H 1 3.553 0.011 . 1 . . . A 31 SER HB3 . 18680 1
318 . 1 1 31 31 SER C C 13 175.135 0.000 . 1 . . . A 31 SER C . 18680 1
319 . 1 1 31 31 SER CA C 13 59.831 0.021 . 1 . . . A 31 SER CA . 18680 1
320 . 1 1 31 31 SER CB C 13 62.609 0.046 . 1 . . . A 31 SER CB . 18680 1
321 . 1 1 31 31 SER N N 15 117.100 0.018 . 1 . . . A 31 SER N . 18680 1
322 . 1 1 32 32 ALA H H 1 8.034 0.001 . 1 . . . A 32 ALA H . 18680 1
323 . 1 1 32 32 ALA HA H 1 4.473 0.011 . 1 . . . A 32 ALA HA . 18680 1
324 . 1 1 32 32 ALA HB1 H 1 1.544 0.005 . 1 . . . A 32 ALA HB1 . 18680 1
325 . 1 1 32 32 ALA HB2 H 1 1.544 0.005 . 1 . . . A 32 ALA HB2 . 18680 1
326 . 1 1 32 32 ALA HB3 H 1 1.544 0.005 . 1 . . . A 32 ALA HB3 . 18680 1
327 . 1 1 32 32 ALA C C 13 177.521 0.000 . 1 . . . A 32 ALA C . 18680 1
328 . 1 1 32 32 ALA CA C 13 52.214 0.055 . 1 . . . A 32 ALA CA . 18680 1
329 . 1 1 32 32 ALA CB C 13 20.954 0.021 . 1 . . . A 32 ALA CB . 18680 1
330 . 1 1 32 32 ALA N N 15 124.110 0.007 . 1 . . . A 32 ALA N . 18680 1
331 . 1 1 33 33 ILE H H 1 7.420 0.002 . 1 . . . A 33 ILE H . 18680 1
332 . 1 1 33 33 ILE HA H 1 3.870 0.003 . 1 . . . A 33 ILE HA . 18680 1
333 . 1 1 33 33 ILE HB H 1 1.709 0.007 . 1 . . . A 33 ILE HB . 18680 1
334 . 1 1 33 33 ILE HG12 H 1 1.493 0.009 . 1 . . . A 33 ILE HG12 . 18680 1
335 . 1 1 33 33 ILE HG21 H 1 0.694 0.007 . 1 . . . A 33 ILE HG21 . 18680 1
336 . 1 1 33 33 ILE HG22 H 1 0.694 0.007 . 1 . . . A 33 ILE HG22 . 18680 1
337 . 1 1 33 33 ILE HG23 H 1 0.694 0.007 . 1 . . . A 33 ILE HG23 . 18680 1
338 . 1 1 33 33 ILE HD11 H 1 0.293 0.009 . 1 . . . A 33 ILE HD11 . 18680 1
339 . 1 1 33 33 ILE HD12 H 1 0.293 0.009 . 1 . . . A 33 ILE HD12 . 18680 1
340 . 1 1 33 33 ILE HD13 H 1 0.293 0.009 . 1 . . . A 33 ILE HD13 . 18680 1
341 . 1 1 33 33 ILE C C 13 175.648 0.000 . 1 . . . A 33 ILE C . 18680 1
342 . 1 1 33 33 ILE CA C 13 62.335 0.116 . 1 . . . A 33 ILE CA . 18680 1
343 . 1 1 33 33 ILE CB C 13 37.897 0.020 . 1 . . . A 33 ILE CB . 18680 1
344 . 1 1 33 33 ILE CG1 C 13 27.819 0.082 . 1 . . . A 33 ILE CG1 . 18680 1
345 . 1 1 33 33 ILE CG2 C 13 17.082 0.010 . 1 . . . A 33 ILE CG2 . 18680 1
346 . 1 1 33 33 ILE CD1 C 13 14.237 0.024 . 1 . . . A 33 ILE CD1 . 18680 1
347 . 1 1 33 33 ILE N N 15 119.895 0.004 . 1 . . . A 33 ILE N . 18680 1
348 . 1 1 34 34 GLN H H 1 8.756 0.003 . 1 . . . A 34 GLN H . 18680 1
349 . 1 1 34 34 GLN HA H 1 4.329 0.006 . 1 . . . A 34 GLN HA . 18680 1
350 . 1 1 34 34 GLN HB2 H 1 1.891 0.010 . 1 . . . A 34 GLN HB2 . 18680 1
351 . 1 1 34 34 GLN HB3 H 1 2.107 0.005 . 1 . . . A 34 GLN HB3 . 18680 1
352 . 1 1 34 34 GLN HG2 H 1 2.330 0.010 . 1 . . . A 34 GLN HG2 . 18680 1
353 . 1 1 34 34 GLN HG3 H 1 2.330 0.010 . 1 . . . A 34 GLN HG3 . 18680 1
354 . 1 1 34 34 GLN HE21 H 1 8.197 0.003 . 1 . . . A 34 GLN HE21 . 18680 1
355 . 1 1 34 34 GLN HE22 H 1 7.025 0.001 . 1 . . . A 34 GLN HE22 . 18680 1
356 . 1 1 34 34 GLN C C 13 176.188 0.000 . 1 . . . A 34 GLN C . 18680 1
357 . 1 1 34 34 GLN CA C 13 55.470 0.256 . 1 . . . A 34 GLN CA . 18680 1
358 . 1 1 34 34 GLN CB C 13 29.679 0.022 . 1 . . . A 34 GLN CB . 18680 1
359 . 1 1 34 34 GLN CG C 13 33.788 0.000 . 1 . . . A 34 GLN CG . 18680 1
360 . 1 1 34 34 GLN N N 15 127.419 0.017 . 1 . . . A 34 GLN N . 18680 1
361 . 1 1 34 34 GLN NE2 N 15 114.550 0.027 . 1 . . . A 34 GLN NE2 . 18680 1
362 . 1 1 35 35 GLY H H 1 8.413 0.004 . 1 . . . A 35 GLY H . 18680 1
363 . 1 1 35 35 GLY HA2 H 1 3.789 0.002 . 1 . . . A 35 GLY HA2 . 18680 1
364 . 1 1 35 35 GLY HA3 H 1 3.789 0.002 . 1 . . . A 35 GLY HA3 . 18680 1
365 . 1 1 35 35 GLY C C 13 173.464 0.000 . 1 . . . A 35 GLY C . 18680 1
366 . 1 1 35 35 GLY CA C 13 44.582 0.000 . 1 . . . A 35 GLY CA . 18680 1
367 . 1 1 35 35 GLY N N 15 110.056 0.010 . 1 . . . A 35 GLY N . 18680 1
368 . 1 1 36 36 ASP H H 1 8.318 0.005 . 1 . . . A 36 ASP H . 18680 1
369 . 1 1 36 36 ASP HA H 1 4.760 0.021 . 1 . . . A 36 ASP HA . 18680 1
370 . 1 1 36 36 ASP HB2 H 1 2.596 0.009 . 1 . . . A 36 ASP HB2 . 18680 1
371 . 1 1 36 36 ASP HB3 H 1 2.673 0.006 . 1 . . . A 36 ASP HB3 . 18680 1
372 . 1 1 36 36 ASP C C 13 176.683 0.000 . 1 . . . A 36 ASP C . 18680 1
373 . 1 1 36 36 ASP CA C 13 53.892 0.000 . 1 . . . A 36 ASP CA . 18680 1
374 . 1 1 36 36 ASP CB C 13 41.969 0.061 . 1 . . . A 36 ASP CB . 18680 1
375 . 1 1 36 36 ASP N N 15 119.951 0.059 . 1 . . . A 36 ASP N . 18680 1
376 . 1 1 37 37 GLY H H 1 8.328 0.011 . 1 . . . A 37 GLY H . 18680 1
377 . 1 1 37 37 GLY HA2 H 1 3.823 0.004 . 1 . . . A 37 GLY HA2 . 18680 1
378 . 1 1 37 37 GLY HA3 H 1 3.823 0.004 . 1 . . . A 37 GLY HA3 . 18680 1
379 . 1 1 37 37 GLY C C 13 173.823 0.000 . 1 . . . A 37 GLY C . 18680 1
380 . 1 1 37 37 GLY CA C 13 44.777 0.000 . 1 . . . A 37 GLY CA . 18680 1
381 . 1 1 37 37 GLY N N 15 108.637 0.014 . 1 . . . A 37 GLY N . 18680 1
382 . 1 1 38 38 PHE H H 1 8.159 0.002 . 1 . . . A 38 PHE H . 18680 1
383 . 1 1 38 38 PHE HA H 1 4.437 0.011 . 1 . . . A 38 PHE HA . 18680 1
384 . 1 1 38 38 PHE HB2 H 1 2.955 0.007 . 1 . . . A 38 PHE HB2 . 18680 1
385 . 1 1 38 38 PHE HB3 H 1 2.955 0.007 . 1 . . . A 38 PHE HB3 . 18680 1
386 . 1 1 38 38 PHE C C 13 176.130 0.000 . 1 . . . A 38 PHE C . 18680 1
387 . 1 1 38 38 PHE CA C 13 57.899 0.111 . 1 . . . A 38 PHE CA . 18680 1
388 . 1 1 38 38 PHE CB C 13 38.978 0.022 . 1 . . . A 38 PHE CB . 18680 1
389 . 1 1 38 38 PHE N N 15 120.574 0.009 . 1 . . . A 38 PHE N . 18680 1
390 . 1 1 39 39 LYS H H 1 8.281 0.002 . 1 . . . A 39 LYS H . 18680 1
391 . 1 1 39 39 LYS HA H 1 4.219 0.015 . 1 . . . A 39 LYS HA . 18680 1
392 . 1 1 39 39 LYS HB2 H 1 1.328 0.003 . 1 . . . A 39 LYS HB2 . 18680 1
393 . 1 1 39 39 LYS HB3 H 1 1.374 0.009 . 1 . . . A 39 LYS HB3 . 18680 1
394 . 1 1 39 39 LYS HG2 H 1 1.295 0.005 . 1 . . . A 39 LYS HG2 . 18680 1
395 . 1 1 39 39 LYS HG3 H 1 1.422 0.005 . 1 . . . A 39 LYS HG3 . 18680 1
396 . 1 1 39 39 LYS HD2 H 1 1.686 0.024 . 1 . . . A 39 LYS HD2 . 18680 1
397 . 1 1 39 39 LYS HD3 H 1 1.686 0.024 . 1 . . . A 39 LYS HD3 . 18680 1
398 . 1 1 39 39 LYS HE2 H 1 3.007 0.001 . 1 . . . A 39 LYS HE2 . 18680 1
399 . 1 1 39 39 LYS HE3 H 1 3.007 0.001 . 1 . . . A 39 LYS HE3 . 18680 1
400 . 1 1 39 39 LYS C C 13 174.139 0.000 . 1 . . . A 39 LYS C . 18680 1
401 . 1 1 39 39 LYS CA C 13 55.616 0.161 . 1 . . . A 39 LYS CA . 18680 1
402 . 1 1 39 39 LYS CB C 13 32.390 0.000 . 1 . . . A 39 LYS CB . 18680 1
403 . 1 1 39 39 LYS CG C 13 24.419 0.062 . 1 . . . A 39 LYS CG . 18680 1
404 . 1 1 39 39 LYS CD C 13 28.790 0.000 . 1 . . . A 39 LYS CD . 18680 1
405 . 1 1 39 39 LYS CE C 13 42.200 0.000 . 1 . . . A 39 LYS CE . 18680 1
406 . 1 1 39 39 LYS N N 15 125.210 0.028 . 1 . . . A 39 LYS N . 18680 1
407 . 1 1 40 40 SER H H 1 7.550 0.002 . 1 . . . A 40 SER H . 18680 1
408 . 1 1 40 40 SER HA H 1 3.924 0.018 . 1 . . . A 40 SER HA . 18680 1
409 . 1 1 40 40 SER HB2 H 1 3.497 0.006 . 1 . . . A 40 SER HB2 . 18680 1
410 . 1 1 40 40 SER HB3 H 1 3.540 0.009 . 1 . . . A 40 SER HB3 . 18680 1
411 . 1 1 40 40 SER C C 13 171.892 0.000 . 1 . . . A 40 SER C . 18680 1
412 . 1 1 40 40 SER CA C 13 56.418 0.017 . 1 . . . A 40 SER CA . 18680 1
413 . 1 1 40 40 SER CB C 13 64.238 0.107 . 1 . . . A 40 SER CB . 18680 1
414 . 1 1 40 40 SER N N 15 113.646 0.028 . 1 . . . A 40 SER N . 18680 1
415 . 1 1 41 41 LEU H H 1 5.975 0.002 . 1 . . . A 41 LEU H . 18680 1
416 . 1 1 41 41 LEU HA H 1 4.387 0.004 . 1 . . . A 41 LEU HA . 18680 1
417 . 1 1 41 41 LEU HB2 H 1 0.479 0.006 . 1 . . . A 41 LEU HB2 . 18680 1
418 . 1 1 41 41 LEU HB3 H 1 1.027 0.003 . 1 . . . A 41 LEU HB3 . 18680 1
419 . 1 1 41 41 LEU HG H 1 0.778 0.009 . 1 . . . A 41 LEU HG . 18680 1
420 . 1 1 41 41 LEU HD11 H 1 0.232 0.010 . 1 . . . A 41 LEU HD11 . 18680 1
421 . 1 1 41 41 LEU HD12 H 1 0.232 0.010 . 1 . . . A 41 LEU HD12 . 18680 1
422 . 1 1 41 41 LEU HD13 H 1 0.232 0.010 . 1 . . . A 41 LEU HD13 . 18680 1
423 . 1 1 41 41 LEU HD21 H 1 0.489 0.006 . 1 . . . A 41 LEU HD21 . 18680 1
424 . 1 1 41 41 LEU HD22 H 1 0.489 0.006 . 1 . . . A 41 LEU HD22 . 18680 1
425 . 1 1 41 41 LEU HD23 H 1 0.489 0.006 . 1 . . . A 41 LEU HD23 . 18680 1
426 . 1 1 41 41 LEU C C 13 174.127 0.000 . 1 . . . A 41 LEU C . 18680 1
427 . 1 1 41 41 LEU CA C 13 52.783 0.180 . 1 . . . A 41 LEU CA . 18680 1
428 . 1 1 41 41 LEU CB C 13 45.968 0.239 . 1 . . . A 41 LEU CB . 18680 1
429 . 1 1 41 41 LEU CG C 13 26.159 0.026 . 1 . . . A 41 LEU CG . 18680 1
430 . 1 1 41 41 LEU CD1 C 13 25.551 0.033 . 1 . . . A 41 LEU CD1 . 18680 1
431 . 1 1 41 41 LEU CD2 C 13 23.074 0.049 . 1 . . . A 41 LEU CD2 . 18680 1
432 . 1 1 41 41 LEU N N 15 119.035 0.043 . 1 . . . A 41 LEU N . 18680 1
433 . 1 1 42 42 ASP H H 1 8.264 0.004 . 1 . . . A 42 ASP H . 18680 1
434 . 1 1 42 42 ASP HA H 1 4.833 0.009 . 1 . . . A 42 ASP HA . 18680 1
435 . 1 1 42 42 ASP HB2 H 1 2.354 0.002 . 1 . . . A 42 ASP HB2 . 18680 1
436 . 1 1 42 42 ASP HB3 H 1 2.630 0.001 . 1 . . . A 42 ASP HB3 . 18680 1
437 . 1 1 42 42 ASP C C 13 175.645 0.000 . 1 . . . A 42 ASP C . 18680 1
438 . 1 1 42 42 ASP CA C 13 52.608 0.000 . 1 . . . A 42 ASP CA . 18680 1
439 . 1 1 42 42 ASP CB C 13 42.801 0.045 . 1 . . . A 42 ASP CB . 18680 1
440 . 1 1 42 42 ASP N N 15 119.827 0.054 . 1 . . . A 42 ASP N . 18680 1
441 . 1 1 43 43 GLU H H 1 8.676 0.006 . 1 . . . A 43 GLU H . 18680 1
442 . 1 1 43 43 GLU HA H 1 3.546 0.006 . 1 . . . A 43 GLU HA . 18680 1
443 . 1 1 43 43 GLU HB2 H 1 2.141 0.014 . 1 . . . A 43 GLU HB2 . 18680 1
444 . 1 1 43 43 GLU HB3 H 1 2.006 0.004 . 1 . . . A 43 GLU HB3 . 18680 1
445 . 1 1 43 43 GLU HG2 H 1 2.271 0.006 . 1 . . . A 43 GLU HG2 . 18680 1
446 . 1 1 43 43 GLU HG3 H 1 2.549 0.006 . 1 . . . A 43 GLU HG3 . 18680 1
447 . 1 1 43 43 GLU C C 13 177.348 0.000 . 1 . . . A 43 GLU C . 18680 1
448 . 1 1 43 43 GLU CA C 13 58.276 0.014 . 1 . . . A 43 GLU CA . 18680 1
449 . 1 1 43 43 GLU CB C 13 29.379 0.080 . 1 . . . A 43 GLU CB . 18680 1
450 . 1 1 43 43 GLU CG C 13 35.944 0.036 . 1 . . . A 43 GLU CG . 18680 1
451 . 1 1 43 43 GLU N N 15 120.722 0.016 . 1 . . . A 43 GLU N . 18680 1
452 . 1 1 44 44 GLY H H 1 9.052 0.002 . 1 . . . A 44 GLY H . 18680 1
453 . 1 1 44 44 GLY HA2 H 1 4.314 0.001 . 1 . . . A 44 GLY HA2 . 18680 1
454 . 1 1 44 44 GLY HA3 H 1 4.314 0.001 . 1 . . . A 44 GLY HA3 . 18680 1
455 . 1 1 44 44 GLY C C 13 173.863 0.000 . 1 . . . A 44 GLY C . 18680 1
456 . 1 1 44 44 GLY CA C 13 44.865 0.146 . 1 . . . A 44 GLY CA . 18680 1
457 . 1 1 44 44 GLY N N 15 113.780 0.025 . 1 . . . A 44 GLY N . 18680 1
458 . 1 1 45 45 GLN H H 1 7.693 0.002 . 1 . . . A 45 GLN H . 18680 1
459 . 1 1 45 45 GLN HA H 1 4.161 0.006 . 1 . . . A 45 GLN HA . 18680 1
460 . 1 1 45 45 GLN HB2 H 1 1.996 0.003 . 1 . . . A 45 GLN HB2 . 18680 1
461 . 1 1 45 45 GLN HB3 H 1 2.231 0.008 . 1 . . . A 45 GLN HB3 . 18680 1
462 . 1 1 45 45 GLN HG2 H 1 2.265 0.010 . 1 . . . A 45 GLN HG2 . 18680 1
463 . 1 1 45 45 GLN HG3 H 1 2.298 0.005 . 1 . . . A 45 GLN HG3 . 18680 1
464 . 1 1 45 45 GLN HE21 H 1 7.502 0.000 . 1 . . . A 45 GLN HE21 . 18680 1
465 . 1 1 45 45 GLN HE22 H 1 6.703 0.006 . 1 . . . A 45 GLN HE22 . 18680 1
466 . 1 1 45 45 GLN C C 13 175.485 0.000 . 1 . . . A 45 GLN C . 18680 1
467 . 1 1 45 45 GLN CA C 13 55.902 0.086 . 1 . . . A 45 GLN CA . 18680 1
468 . 1 1 45 45 GLN CB C 13 30.492 0.033 . 1 . . . A 45 GLN CB . 18680 1
469 . 1 1 45 45 GLN CG C 13 33.440 0.077 . 1 . . . A 45 GLN CG . 18680 1
470 . 1 1 45 45 GLN N N 15 120.501 0.005 . 1 . . . A 45 GLN N . 18680 1
471 . 1 1 45 45 GLN NE2 N 15 111.610 0.008 . 1 . . . A 45 GLN NE2 . 18680 1
472 . 1 1 46 46 ALA H H 1 8.924 0.002 . 1 . . . A 46 ALA H . 18680 1
473 . 1 1 46 46 ALA HA H 1 4.979 0.008 . 1 . . . A 46 ALA HA . 18680 1
474 . 1 1 46 46 ALA HB1 H 1 1.509 0.002 . 1 . . . A 46 ALA HB1 . 18680 1
475 . 1 1 46 46 ALA HB2 H 1 1.509 0.002 . 1 . . . A 46 ALA HB2 . 18680 1
476 . 1 1 46 46 ALA HB3 H 1 1.509 0.002 . 1 . . . A 46 ALA HB3 . 18680 1
477 . 1 1 46 46 ALA C C 13 178.200 0.000 . 1 . . . A 46 ALA C . 18680 1
478 . 1 1 46 46 ALA CA C 13 52.299 0.012 . 1 . . . A 46 ALA CA . 18680 1
479 . 1 1 46 46 ALA CB C 13 18.947 0.015 . 1 . . . A 46 ALA CB . 18680 1
480 . 1 1 46 46 ALA N N 15 130.602 0.031 . 1 . . . A 46 ALA N . 18680 1
481 . 1 1 47 47 VAL H H 1 8.705 0.004 . 1 . . . A 47 VAL H . 18680 1
482 . 1 1 47 47 VAL HA H 1 5.420 0.003 . 1 . . . A 47 VAL HA . 18680 1
483 . 1 1 47 47 VAL HB H 1 2.178 0.007 . 1 . . . A 47 VAL HB . 18680 1
484 . 1 1 47 47 VAL HG11 H 1 0.535 0.005 . 1 . . . A 47 VAL HG11 . 18680 1
485 . 1 1 47 47 VAL HG12 H 1 0.535 0.005 . 1 . . . A 47 VAL HG12 . 18680 1
486 . 1 1 47 47 VAL HG13 H 1 0.535 0.005 . 1 . . . A 47 VAL HG13 . 18680 1
487 . 1 1 47 47 VAL HG21 H 1 0.638 0.007 . 1 . . . A 47 VAL HG21 . 18680 1
488 . 1 1 47 47 VAL HG22 H 1 0.638 0.007 . 1 . . . A 47 VAL HG22 . 18680 1
489 . 1 1 47 47 VAL HG23 H 1 0.638 0.007 . 1 . . . A 47 VAL HG23 . 18680 1
490 . 1 1 47 47 VAL C C 13 175.545 0.000 . 1 . . . A 47 VAL C . 18680 1
491 . 1 1 47 47 VAL CA C 13 58.798 0.107 . 1 . . . A 47 VAL CA . 18680 1
492 . 1 1 47 47 VAL CB C 13 37.068 0.100 . 1 . . . A 47 VAL CB . 18680 1
493 . 1 1 47 47 VAL CG1 C 13 23.420 0.000 . 1 . . . A 47 VAL CG1 . 18680 1
494 . 1 1 47 47 VAL CG2 C 13 18.501 0.015 . 1 . . . A 47 VAL CG2 . 18680 1
495 . 1 1 47 47 VAL N N 15 115.106 0.014 . 1 . . . A 47 VAL N . 18680 1
496 . 1 1 48 48 THR H H 1 9.050 0.005 . 1 . . . A 48 THR H . 18680 1
497 . 1 1 48 48 THR HA H 1 5.432 0.004 . 1 . . . A 48 THR HA . 18680 1
498 . 1 1 48 48 THR HB H 1 4.112 0.005 . 1 . . . A 48 THR HB . 18680 1
499 . 1 1 48 48 THR HG21 H 1 1.099 0.009 . 1 . . . A 48 THR HG1 . 18680 1
500 . 1 1 48 48 THR HG22 H 1 1.099 0.009 . 1 . . . A 48 THR HG1 . 18680 1
501 . 1 1 48 48 THR HG23 H 1 1.099 0.009 . 1 . . . A 48 THR HG1 . 18680 1
502 . 1 1 48 48 THR C C 13 173.871 0.000 . 1 . . . A 48 THR C . 18680 1
503 . 1 1 48 48 THR CA C 13 59.986 0.160 . 1 . . . A 48 THR CA . 18680 1
504 . 1 1 48 48 THR CB C 13 71.181 0.011 . 1 . . . A 48 THR CB . 18680 1
505 . 1 1 48 48 THR CG2 C 13 20.887 0.009 . 1 . . . A 48 THR CG2 . 18680 1
506 . 1 1 48 48 THR N N 15 112.990 0.088 . 1 . . . A 48 THR N . 18680 1
507 . 1 1 49 49 PHE H H 1 8.148 0.005 . 1 . . . A 49 PHE H . 18680 1
508 . 1 1 49 49 PHE HA H 1 5.027 0.005 . 1 . . . A 49 PHE HA . 18680 1
509 . 1 1 49 49 PHE HB2 H 1 3.023 0.005 . 1 . . . A 49 PHE HB2 . 18680 1
510 . 1 1 49 49 PHE HB3 H 1 3.249 0.007 . 1 . . . A 49 PHE HB3 . 18680 1
511 . 1 1 49 49 PHE C C 13 171.959 0.000 . 1 . . . A 49 PHE C . 18680 1
512 . 1 1 49 49 PHE CA C 13 56.433 0.031 . 1 . . . A 49 PHE CA . 18680 1
513 . 1 1 49 49 PHE CB C 13 39.766 0.048 . 1 . . . A 49 PHE CB . 18680 1
514 . 1 1 49 49 PHE N N 15 115.845 0.009 . 1 . . . A 49 PHE N . 18680 1
515 . 1 1 50 50 ASP H H 1 8.865 0.002 . 1 . . . A 50 ASP H . 18680 1
516 . 1 1 50 50 ASP HA H 1 5.211 0.004 . 1 . . . A 50 ASP HA . 18680 1
517 . 1 1 50 50 ASP HB2 H 1 2.412 0.009 . 1 . . . A 50 ASP HB2 . 18680 1
518 . 1 1 50 50 ASP HB3 H 1 2.684 0.034 . 1 . . . A 50 ASP HB3 . 18680 1
519 . 1 1 50 50 ASP C C 13 175.646 0.000 . 1 . . . A 50 ASP C . 18680 1
520 . 1 1 50 50 ASP CA C 13 52.596 0.045 . 1 . . . A 50 ASP CA . 18680 1
521 . 1 1 50 50 ASP CB C 13 43.925 0.056 . 1 . . . A 50 ASP CB . 18680 1
522 . 1 1 50 50 ASP N N 15 118.155 0.018 . 1 . . . A 50 ASP N . 18680 1
523 . 1 1 51 51 VAL H H 1 8.723 0.003 . 1 . . . A 51 VAL H . 18680 1
524 . 1 1 51 51 VAL HA H 1 4.779 0.006 . 1 . . . A 51 VAL HA . 18680 1
525 . 1 1 51 51 VAL HB H 1 1.961 0.003 . 1 . . . A 51 VAL HB . 18680 1
526 . 1 1 51 51 VAL HG11 H 1 0.899 0.004 . 1 . . . A 51 VAL HG11 . 18680 1
527 . 1 1 51 51 VAL HG12 H 1 0.899 0.004 . 1 . . . A 51 VAL HG12 . 18680 1
528 . 1 1 51 51 VAL HG13 H 1 0.899 0.004 . 1 . . . A 51 VAL HG13 . 18680 1
529 . 1 1 51 51 VAL HG21 H 1 1.020 0.003 . 1 . . . A 51 VAL HG21 . 18680 1
530 . 1 1 51 51 VAL HG22 H 1 1.020 0.003 . 1 . . . A 51 VAL HG22 . 18680 1
531 . 1 1 51 51 VAL HG23 H 1 1.020 0.003 . 1 . . . A 51 VAL HG23 . 18680 1
532 . 1 1 51 51 VAL C C 13 175.099 0.000 . 1 . . . A 51 VAL C . 18680 1
533 . 1 1 51 51 VAL CA C 13 61.697 0.000 . 1 . . . A 51 VAL CA . 18680 1
534 . 1 1 51 51 VAL CB C 13 33.946 0.008 . 1 . . . A 51 VAL CB . 18680 1
535 . 1 1 51 51 VAL CG1 C 13 23.225 0.043 . 1 . . . A 51 VAL CG1 . 18680 1
536 . 1 1 51 51 VAL CG2 C 13 21.599 0.104 . 1 . . . A 51 VAL CG2 . 18680 1
537 . 1 1 51 51 VAL N N 15 120.517 0.042 . 1 . . . A 51 VAL N . 18680 1
538 . 1 1 52 52 GLU H H 1 9.129 0.005 . 1 . . . A 52 GLU H . 18680 1
539 . 1 1 52 52 GLU HA H 1 4.735 0.002 . 1 . . . A 52 GLU HA . 18680 1
540 . 1 1 52 52 GLU HB2 H 1 1.885 0.002 . 1 . . . A 52 GLU HB2 . 18680 1
541 . 1 1 52 52 GLU HB3 H 1 1.953 0.009 . 1 . . . A 52 GLU HB3 . 18680 1
542 . 1 1 52 52 GLU HG2 H 1 2.116 0.000 . 1 . . . A 52 GLU HG2 . 18680 1
543 . 1 1 52 52 GLU HG3 H 1 2.148 0.006 . 1 . . . A 52 GLU HG3 . 18680 1
544 . 1 1 52 52 GLU C C 13 175.139 0.000 . 1 . . . A 52 GLU C . 18680 1
545 . 1 1 52 52 GLU CA C 13 53.902 0.000 . 1 . . . A 52 GLU CA . 18680 1
546 . 1 1 52 52 GLU CB C 13 32.655 0.076 . 1 . . . A 52 GLU CB . 18680 1
547 . 1 1 52 52 GLU CG C 13 35.421 0.000 . 1 . . . A 52 GLU CG . 18680 1
548 . 1 1 52 52 GLU N N 15 127.198 0.032 . 1 . . . A 52 GLU N . 18680 1
549 . 1 1 53 53 GLU H H 1 8.726 0.001 . 1 . . . A 53 GLU H . 18680 1
550 . 1 1 53 53 GLU HA H 1 4.328 0.006 . 1 . . . A 53 GLU HA . 18680 1
551 . 1 1 53 53 GLU HB2 H 1 1.893 0.009 . 1 . . . A 53 GLU HB2 . 18680 1
552 . 1 1 53 53 GLU HB3 H 1 2.012 0.007 . 1 . . . A 53 GLU HB3 . 18680 1
553 . 1 1 53 53 GLU HG2 H 1 2.237 0.006 . 1 . . . A 53 GLU HG2 . 18680 1
554 . 1 1 53 53 GLU HG3 H 1 2.278 0.010 . 1 . . . A 53 GLU HG3 . 18680 1
555 . 1 1 53 53 GLU C C 13 176.524 0.000 . 1 . . . A 53 GLU C . 18680 1
556 . 1 1 53 53 GLU CA C 13 56.380 0.065 . 1 . . . A 53 GLU CA . 18680 1
557 . 1 1 53 53 GLU CB C 13 29.500 0.093 . 1 . . . A 53 GLU CB . 18680 1
558 . 1 1 53 53 GLU CG C 13 35.781 0.051 . 1 . . . A 53 GLU CG . 18680 1
559 . 1 1 53 53 GLU N N 15 123.170 0.017 . 1 . . . A 53 GLU N . 18680 1
560 . 1 1 54 54 GLY H H 1 7.941 0.002 . 1 . . . A 54 GLY H . 18680 1
561 . 1 1 54 54 GLY HA2 H 1 4.343 0.023 . 1 . . . A 54 GLY HA2 . 18680 1
562 . 1 1 54 54 GLY HA3 H 1 4.343 0.023 . 1 . . . A 54 GLY HA3 . 18680 1
563 . 1 1 54 54 GLY C C 13 174.781 0.000 . 1 . . . A 54 GLY C . 18680 1
564 . 1 1 54 54 GLY CA C 13 44.306 0.000 . 1 . . . A 54 GLY CA . 18680 1
565 . 1 1 54 54 GLY N N 15 112.491 0.044 . 1 . . . A 54 GLY N . 18680 1
566 . 1 1 55 55 GLN H H 1 8.370 0.002 . 1 . . . A 55 GLN H . 18680 1
567 . 1 1 55 55 GLN HA H 1 4.412 0.003 . 1 . . . A 55 GLN HA . 18680 1
568 . 1 1 55 55 GLN HB2 H 1 1.919 0.014 . 1 . . . A 55 GLN HB2 . 18680 1
569 . 1 1 55 55 GLN HB3 H 1 2.022 0.033 . 1 . . . A 55 GLN HB3 . 18680 1
570 . 1 1 55 55 GLN HG2 H 1 2.432 0.006 . 1 . . . A 55 GLN HG2 . 18680 1
571 . 1 1 55 55 GLN HG3 H 1 2.527 0.005 . 1 . . . A 55 GLN HG3 . 18680 1
572 . 1 1 55 55 GLN HE21 H 1 7.195 0.003 . 1 . . . A 55 GLN HE21 . 18680 1
573 . 1 1 55 55 GLN HE22 H 1 6.909 0.002 . 1 . . . A 55 GLN HE22 . 18680 1
574 . 1 1 55 55 GLN C C 13 175.828 0.000 . 1 . . . A 55 GLN C . 18680 1
575 . 1 1 55 55 GLN CA C 13 56.220 0.000 . 1 . . . A 55 GLN CA . 18680 1
576 . 1 1 55 55 GLN CB C 13 30.320 0.000 . 1 . . . A 55 GLN CB . 18680 1
577 . 1 1 55 55 GLN CG C 13 32.080 0.113 . 1 . . . A 55 GLN CG . 18680 1
578 . 1 1 55 55 GLN N N 15 122.070 0.008 . 1 . . . A 55 GLN N . 18680 1
579 . 1 1 55 55 GLN NE2 N 15 113.069 0.011 . 1 . . . A 55 GLN NE2 . 18680 1
580 . 1 1 56 56 ARG H H 1 8.518 0.003 . 1 . . . A 56 ARG H . 18680 1
581 . 1 1 56 56 ARG HA H 1 4.328 0.005 . 1 . . . A 56 ARG HA . 18680 1
582 . 1 1 56 56 ARG HB2 H 1 1.739 0.000 . 1 . . . A 56 ARG HB2 . 18680 1
583 . 1 1 56 56 ARG HB3 H 1 1.976 0.000 . 1 . . . A 56 ARG HB3 . 18680 1
584 . 1 1 56 56 ARG HG2 H 1 1.438 0.000 . 1 . . . A 56 ARG HG2 . 18680 1
585 . 1 1 56 56 ARG HG3 H 1 1.295 0.000 . 1 . . . A 56 ARG HG3 . 18680 1
586 . 1 1 56 56 ARG C C 13 175.537 0.000 . 1 . . . A 56 ARG C . 18680 1
587 . 1 1 56 56 ARG CA C 13 55.414 0.000 . 1 . . . A 56 ARG CA . 18680 1
588 . 1 1 56 56 ARG CB C 13 29.717 0.000 . 1 . . . A 56 ARG CB . 18680 1
589 . 1 1 56 56 ARG N N 15 116.689 0.026 . 1 . . . A 56 ARG N . 18680 1
590 . 1 1 57 57 GLY H H 1 7.475 0.002 . 1 . . . A 57 GLY H . 18680 1
591 . 1 1 57 57 GLY HA2 H 1 4.513 0.002 . 1 . . . A 57 GLY HA2 . 18680 1
592 . 1 1 57 57 GLY HA3 H 1 4.513 0.002 . 1 . . . A 57 GLY HA3 . 18680 1
593 . 1 1 57 57 GLY C C 13 171.735 0.000 . 1 . . . A 57 GLY C . 18680 1
594 . 1 1 57 57 GLY CA C 13 44.524 0.000 . 1 . . . A 57 GLY CA . 18680 1
595 . 1 1 57 57 GLY N N 15 108.606 0.012 . 1 . . . A 57 GLY N . 18680 1
596 . 1 1 58 58 PRO HA H 1 4.777 0.008 . 1 . . . A 58 PRO HA . 18680 1
597 . 1 1 58 58 PRO HB2 H 1 1.884 0.007 . 1 . . . A 58 PRO HB2 . 18680 1
598 . 1 1 58 58 PRO HB3 H 1 2.279 0.002 . 1 . . . A 58 PRO HB3 . 18680 1
599 . 1 1 58 58 PRO HG2 H 1 2.114 0.004 . 1 . . . A 58 PRO HG2 . 18680 1
600 . 1 1 58 58 PRO HG3 H 1 2.275 0.004 . 1 . . . A 58 PRO HG3 . 18680 1
601 . 1 1 58 58 PRO HD2 H 1 3.786 0.007 . 1 . . . A 58 PRO HD2 . 18680 1
602 . 1 1 58 58 PRO HD3 H 1 3.617 0.000 . 1 . . . A 58 PRO HD3 . 18680 1
603 . 1 1 58 58 PRO C C 13 176.667 0.000 . 1 . . . A 58 PRO C . 18680 1
604 . 1 1 58 58 PRO CA C 13 63.276 0.000 . 1 . . . A 58 PRO CA . 18680 1
605 . 1 1 58 58 PRO CB C 13 32.565 0.177 . 1 . . . A 58 PRO CB . 18680 1
606 . 1 1 58 58 PRO CG C 13 27.665 0.040 . 1 . . . A 58 PRO CG . 18680 1
607 . 1 1 58 58 PRO CD C 13 49.842 0.032 . 1 . . . A 58 PRO CD . 18680 1
608 . 1 1 59 59 GLN H H 1 9.155 0.003 . 1 . . . A 59 GLN H . 18680 1
609 . 1 1 59 59 GLN HA H 1 5.293 0.010 . 1 . . . A 59 GLN HA . 18680 1
610 . 1 1 59 59 GLN HB2 H 1 2.066 0.004 . 1 . . . A 59 GLN HB2 . 18680 1
611 . 1 1 59 59 GLN HB3 H 1 2.152 0.017 . 1 . . . A 59 GLN HB3 . 18680 1
612 . 1 1 59 59 GLN HG2 H 1 2.322 0.006 . 1 . . . A 59 GLN HG2 . 18680 1
613 . 1 1 59 59 GLN HG3 H 1 2.322 0.006 . 1 . . . A 59 GLN HG3 . 18680 1
614 . 1 1 59 59 GLN HE21 H 1 7.747 0.002 . 1 . . . A 59 GLN HE21 . 18680 1
615 . 1 1 59 59 GLN HE22 H 1 7.583 0.001 . 1 . . . A 59 GLN HE22 . 18680 1
616 . 1 1 59 59 GLN C C 13 173.637 0.000 . 1 . . . A 59 GLN C . 18680 1
617 . 1 1 59 59 GLN CA C 13 53.776 0.020 . 1 . . . A 59 GLN CA . 18680 1
618 . 1 1 59 59 GLN CB C 13 32.282 0.000 . 1 . . . A 59 GLN CB . 18680 1
619 . 1 1 59 59 GLN CG C 13 33.012 0.016 . 1 . . . A 59 GLN CG . 18680 1
620 . 1 1 59 59 GLN N N 15 121.103 0.036 . 1 . . . A 59 GLN N . 18680 1
621 . 1 1 59 59 GLN NE2 N 15 112.355 0.057 . 1 . . . A 59 GLN NE2 . 18680 1
622 . 1 1 60 60 ALA H H 1 8.811 0.006 . 1 . . . A 60 ALA H . 18680 1
623 . 1 1 60 60 ALA HA H 1 4.925 0.010 . 1 . . . A 60 ALA HA . 18680 1
624 . 1 1 60 60 ALA HB1 H 1 0.861 0.005 . 1 . . . A 60 ALA HB1 . 18680 1
625 . 1 1 60 60 ALA HB2 H 1 0.861 0.005 . 1 . . . A 60 ALA HB2 . 18680 1
626 . 1 1 60 60 ALA HB3 H 1 0.861 0.005 . 1 . . . A 60 ALA HB3 . 18680 1
627 . 1 1 60 60 ALA C C 13 176.239 0.000 . 1 . . . A 60 ALA C . 18680 1
628 . 1 1 60 60 ALA CA C 13 51.002 0.059 . 1 . . . A 60 ALA CA . 18680 1
629 . 1 1 60 60 ALA CB C 13 20.531 0.066 . 1 . . . A 60 ALA CB . 18680 1
630 . 1 1 60 60 ALA N N 15 123.710 0.014 . 1 . . . A 60 ALA N . 18680 1
631 . 1 1 61 61 ALA H H 1 9.201 0.001 . 1 . . . A 61 ALA H . 18680 1
632 . 1 1 61 61 ALA HA H 1 4.693 0.003 . 1 . . . A 61 ALA HA . 18680 1
633 . 1 1 61 61 ALA HB1 H 1 1.324 0.005 . 1 . . . A 61 ALA HB1 . 18680 1
634 . 1 1 61 61 ALA HB2 H 1 1.324 0.005 . 1 . . . A 61 ALA HB2 . 18680 1
635 . 1 1 61 61 ALA HB3 H 1 1.324 0.005 . 1 . . . A 61 ALA HB3 . 18680 1
636 . 1 1 61 61 ALA C C 13 175.918 0.000 . 1 . . . A 61 ALA C . 18680 1
637 . 1 1 61 61 ALA CA C 13 50.312 0.007 . 1 . . . A 61 ALA CA . 18680 1
638 . 1 1 61 61 ALA CB C 13 23.027 0.075 . 1 . . . A 61 ALA CB . 18680 1
639 . 1 1 61 61 ALA N N 15 123.711 0.018 . 1 . . . A 61 ALA N . 18680 1
640 . 1 1 62 62 ASN H H 1 9.337 0.003 . 1 . . . A 62 ASN H . 18680 1
641 . 1 1 62 62 ASN HA H 1 4.247 0.008 . 1 . . . A 62 ASN HA . 18680 1
642 . 1 1 62 62 ASN HB2 H 1 2.779 0.005 . 1 . . . A 62 ASN HB2 . 18680 1
643 . 1 1 62 62 ASN HB3 H 1 2.932 0.010 . 1 . . . A 62 ASN HB3 . 18680 1
644 . 1 1 62 62 ASN HD21 H 1 8.110 0.003 . 1 . . . A 62 ASN HD21 . 18680 1
645 . 1 1 62 62 ASN HD22 H 1 6.724 0.003 . 1 . . . A 62 ASN HD22 . 18680 1
646 . 1 1 62 62 ASN C C 13 173.741 0.000 . 1 . . . A 62 ASN C . 18680 1
647 . 1 1 62 62 ASN CA C 13 53.826 0.181 . 1 . . . A 62 ASN CA . 18680 1
648 . 1 1 62 62 ASN CB C 13 37.320 0.120 . 1 . . . A 62 ASN CB . 18680 1
649 . 1 1 62 62 ASN N N 15 118.664 0.010 . 1 . . . A 62 ASN N . 18680 1
650 . 1 1 62 62 ASN ND2 N 15 114.622 0.019 . 1 . . . A 62 ASN ND2 . 18680 1
651 . 1 1 63 63 VAL H H 1 8.090 0.002 . 1 . . . A 63 VAL H . 18680 1
652 . 1 1 63 63 VAL HA H 1 4.456 0.007 . 1 . . . A 63 VAL HA . 18680 1
653 . 1 1 63 63 VAL HB H 1 1.744 0.004 . 1 . . . A 63 VAL HB . 18680 1
654 . 1 1 63 63 VAL HG11 H 1 0.614 0.005 . 1 . . . A 63 VAL HG11 . 18680 1
655 . 1 1 63 63 VAL HG12 H 1 0.614 0.005 . 1 . . . A 63 VAL HG12 . 18680 1
656 . 1 1 63 63 VAL HG13 H 1 0.614 0.005 . 1 . . . A 63 VAL HG13 . 18680 1
657 . 1 1 63 63 VAL HG21 H 1 0.630 0.002 . 1 . . . A 63 VAL HG21 . 18680 1
658 . 1 1 63 63 VAL HG22 H 1 0.630 0.002 . 1 . . . A 63 VAL HG22 . 18680 1
659 . 1 1 63 63 VAL HG23 H 1 0.630 0.002 . 1 . . . A 63 VAL HG23 . 18680 1
660 . 1 1 63 63 VAL C C 13 175.457 0.000 . 1 . . . A 63 VAL C . 18680 1
661 . 1 1 63 63 VAL CA C 13 62.869 0.015 . 1 . . . A 63 VAL CA . 18680 1
662 . 1 1 63 63 VAL CB C 13 31.536 0.040 . 1 . . . A 63 VAL CB . 18680 1
663 . 1 1 63 63 VAL CG1 C 13 22.662 0.159 . 1 . . . A 63 VAL CG1 . 18680 1
664 . 1 1 63 63 VAL CG2 C 13 21.460 0.000 . 1 . . . A 63 VAL CG2 . 18680 1
665 . 1 1 63 63 VAL N N 15 117.105 0.020 . 1 . . . A 63 VAL N . 18680 1
666 . 1 1 64 64 GLN H H 1 9.052 0.002 . 1 . . . A 64 GLN H . 18680 1
667 . 1 1 64 64 GLN HA H 1 4.790 0.004 . 1 . . . A 64 GLN HA . 18680 1
668 . 1 1 64 64 GLN HB2 H 1 1.839 0.005 . 1 . . . A 64 GLN HB2 . 18680 1
669 . 1 1 64 64 GLN HB3 H 1 2.009 0.005 . 1 . . . A 64 GLN HB3 . 18680 1
670 . 1 1 64 64 GLN HG2 H 1 2.244 0.004 . 1 . . . A 64 GLN HG2 . 18680 1
671 . 1 1 64 64 GLN HG3 H 1 2.244 0.004 . 1 . . . A 64 GLN HG3 . 18680 1
672 . 1 1 64 64 GLN HE21 H 1 7.574 0.003 . 1 . . . A 64 GLN HE21 . 18680 1
673 . 1 1 64 64 GLN HE22 H 1 7.264 0.005 . 1 . . . A 64 GLN HE22 . 18680 1
674 . 1 1 64 64 GLN C C 13 175.304 0.000 . 1 . . . A 64 GLN C . 18680 1
675 . 1 1 64 64 GLN CA C 13 53.742 0.000 . 1 . . . A 64 GLN CA . 18680 1
676 . 1 1 64 64 GLN CB C 13 32.370 0.096 . 1 . . . A 64 GLN CB . 18680 1
677 . 1 1 64 64 GLN CG C 13 33.742 0.000 . 1 . . . A 64 GLN CG . 18680 1
678 . 1 1 64 64 GLN N N 15 126.653 0.014 . 1 . . . A 64 GLN N . 18680 1
679 . 1 1 64 64 GLN NE2 N 15 112.996 0.027 . 1 . . . A 64 GLN NE2 . 18680 1
680 . 1 1 65 65 LYS H H 1 8.628 0.003 . 1 . . . A 65 LYS H . 18680 1
681 . 1 1 65 65 LYS HA H 1 4.273 0.007 . 1 . . . A 65 LYS HA . 18680 1
682 . 1 1 65 65 LYS HB2 H 1 1.858 0.002 . 1 . . . A 65 LYS HB2 . 18680 1
683 . 1 1 65 65 LYS HB3 H 1 1.854 0.004 . 1 . . . A 65 LYS HB3 . 18680 1
684 . 1 1 65 65 LYS HG2 H 1 1.124 0.006 . 1 . . . A 65 LYS HG2 . 18680 1
685 . 1 1 65 65 LYS HG3 H 1 1.437 0.004 . 1 . . . A 65 LYS HG3 . 18680 1
686 . 1 1 65 65 LYS HD2 H 1 1.650 0.006 . 1 . . . A 65 LYS HD2 . 18680 1
687 . 1 1 65 65 LYS HD3 H 1 1.705 0.005 . 1 . . . A 65 LYS HD3 . 18680 1
688 . 1 1 65 65 LYS HE2 H 1 2.927 0.004 . 1 . . . A 65 LYS HE2 . 18680 1
689 . 1 1 65 65 LYS HE3 H 1 2.927 0.004 . 1 . . . A 65 LYS HE3 . 18680 1
690 . 1 1 65 65 LYS C C 13 175.514 0.000 . 1 . . . A 65 LYS C . 18680 1
691 . 1 1 65 65 LYS CA C 13 57.989 0.212 . 1 . . . A 65 LYS CA . 18680 1
692 . 1 1 65 65 LYS CB C 13 32.708 0.055 . 1 . . . A 65 LYS CB . 18680 1
693 . 1 1 65 65 LYS CG C 13 25.872 0.150 . 1 . . . A 65 LYS CG . 18680 1
694 . 1 1 65 65 LYS CD C 13 29.310 0.044 . 1 . . . A 65 LYS CD . 18680 1
695 . 1 1 65 65 LYS CE C 13 42.153 0.055 . 1 . . . A 65 LYS CE . 18680 1
696 . 1 1 65 65 LYS N N 15 122.351 0.026 . 1 . . . A 65 LYS N . 18680 1
697 . 1 1 66 66 ALA H H 1 8.103 0.001 . 1 . . . A 66 ALA H . 18680 1
698 . 1 1 66 66 ALA HA H 1 4.218 0.002 . 1 . . . A 66 ALA HA . 18680 1
699 . 1 1 66 66 ALA HB1 H 1 1.216 0.005 . 1 . . . A 66 ALA HB1 . 18680 1
700 . 1 1 66 66 ALA HB2 H 1 1.216 0.005 . 1 . . . A 66 ALA HB2 . 18680 1
701 . 1 1 66 66 ALA HB3 H 1 1.216 0.005 . 1 . . . A 66 ALA HB3 . 18680 1
702 . 1 1 66 66 ALA C C 13 181.845 0.000 . 1 . . . A 66 ALA C . 18680 1
703 . 1 1 66 66 ALA CA C 13 52.956 0.040 . 1 . . . A 66 ALA CA . 18680 1
704 . 1 1 66 66 ALA CB C 13 20.668 0.064 . 1 . . . A 66 ALA CB . 18680 1
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save_