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 16944
_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 C(CO)NH' . . . 16944 1
4 '3D CBCA(CO)NH' . . . 16944 1
7 '3D HBHA(CO)NH' . . . 16944 1
8 '3D HCCH-TOCSY' . . . 16944 1
9 '3D H(CCO)NH' . . . 16944 1
10 '3D HNCACB' . . . 16944 1
11 '2D 1H-13C HSQC CT 28ms delay' . . . 16944 1
12 '2D 1H-13C HSQC CT 42ms delay' . . . 16944 1
13 '2D 1H-13C HSQC CT 56ms delay' . . . 16944 1
17 hbcbcgcdhdA . . . 16944 1
18 hbcbcgcdceheA . . . 16944 1
19 '2D 1H-13C HSQC aromatic' . . . 16944 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
3 $NMRViewJ . . 16944 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 LYS HA H 1 4.660 0.3 . 1 . . . . 2 K HA . 16944 1
2 . 1 1 2 2 LYS HB2 H 1 1.673 0.3 . 2 . . . . 2 K HB1 . 16944 1
3 . 1 1 2 2 LYS HB3 H 1 1.834 0.3 . 2 . . . . 2 K HB2 . 16944 1
4 . 1 1 2 2 LYS HD2 H 1 1.521 0.3 . 2 . . . . 2 K HD2 . 16944 1
5 . 1 1 2 2 LYS HE2 H 1 2.830 0.3 . 2 . . . . 2 K HE2 . 16944 1
6 . 1 1 2 2 LYS HG2 H 1 1.328 0.3 . 2 . . . . 2 K HG2 . 16944 1
7 . 1 1 2 2 LYS C C 13 174.671 0.5 . 1 . . . . 2 K C . 16944 1
8 . 1 1 2 2 LYS CA C 13 55.913 0.5 . 1 . . . . 2 K CA . 16944 1
9 . 1 1 2 2 LYS CB C 13 35.109 0.5 . 1 . . . . 2 K CB . 16944 1
10 . 1 1 2 2 LYS CD C 13 29.542 0.5 . 1 . . . . 2 K CD . 16944 1
11 . 1 1 2 2 LYS CE C 13 42.072 0.5 . 1 . . . . 2 K CE . 16944 1
12 . 1 1 2 2 LYS CG C 13 24.980 0.5 . 1 . . . . 2 K CG . 16944 1
13 . 1 1 3 3 THR H H 1 8.484 0.3 . 1 . . . . 3 T HN . 16944 1
14 . 1 1 3 3 THR HA H 1 5.231 0.3 . 1 . . . . 3 T HA . 16944 1
15 . 1 1 3 3 THR HB H 1 4.146 0.3 . 1 . . . . 3 T HB . 16944 1
16 . 1 1 3 3 THR HG21 H 1 1.133 0.3 . 1 . . . . 3 T HG21 . 16944 1
17 . 1 1 3 3 THR HG22 H 1 1.133 0.3 . 1 . . . . 3 T HG21 . 16944 1
18 . 1 1 3 3 THR HG23 H 1 1.133 0.3 . 1 . . . . 3 T HG21 . 16944 1
19 . 1 1 3 3 THR C C 13 173.778 0.5 . 1 . . . . 3 T C . 16944 1
20 . 1 1 3 3 THR CA C 13 60.543 0.5 . 1 . . . . 3 T CA . 16944 1
21 . 1 1 3 3 THR CB C 13 71.790 0.5 . 1 . . . . 3 T CB . 16944 1
22 . 1 1 3 3 THR CG2 C 13 21.885 0.5 . 1 . . . . 3 T CG2 . 16944 1
23 . 1 1 3 3 THR N N 15 114.988 0.5 . 1 . . . . 3 T N . 16944 1
24 . 1 1 4 4 GLY H H 1 8.668 0.3 . 1 . . . . 4 G HN . 16944 1
25 . 1 1 4 4 GLY HA2 H 1 3.180 0.3 . 2 . . . . 4 G HA1 . 16944 1
26 . 1 1 4 4 GLY HA3 H 1 4.615 0.3 . 2 . . . . 4 G HA2 . 16944 1
27 . 1 1 4 4 GLY C C 13 171.278 0.5 . 1 . . . . 4 G C . 16944 1
28 . 1 1 4 4 GLY CA C 13 44.511 0.5 . 1 . . . . 4 G CA . 16944 1
29 . 1 1 4 4 GLY N N 15 108.972 0.5 . 1 . . . . 4 G N . 16944 1
30 . 1 1 5 5 ILE H H 1 8.816 0.3 . 1 . . . . 5 I HN . 16944 1
31 . 1 1 5 5 ILE HA H 1 4.992 0.3 . 1 . . . . 5 I HA . 16944 1
32 . 1 1 5 5 ILE HB H 1 1.562 0.3 . 1 . . . . 5 I HB . 16944 1
33 . 1 1 5 5 ILE HG12 H 1 0.886 0.3 . 2 . . . . 5 I HG11 . 16944 1
34 . 1 1 5 5 ILE HG13 H 1 1.293 0.3 . 2 . . . . 5 I HG12 . 16944 1
35 . 1 1 5 5 ILE HG21 H 1 0.797 0.3 . 1 . . . . 5 I HG21 . 16944 1
36 . 1 1 5 5 ILE HG22 H 1 0.797 0.3 . 1 . . . . 5 I HG21 . 16944 1
37 . 1 1 5 5 ILE HG23 H 1 0.797 0.3 . 1 . . . . 5 I HG21 . 16944 1
38 . 1 1 5 5 ILE C C 13 175.644 0.5 . 1 . . . . 5 I C . 16944 1
39 . 1 1 5 5 ILE CA C 13 58.777 0.5 . 1 . . . . 5 I CA . 16944 1
40 . 1 1 5 5 ILE CB C 13 41.824 0.5 . 1 . . . . 5 I CB . 16944 1
41 . 1 1 5 5 ILE CG1 C 13 24.229 0.5 . 1 . . . . 5 I CG1 . 16944 1
42 . 1 1 5 5 ILE CG2 C 13 17.512 0.5 . 1 . . . . 5 I CG2 . 16944 1
43 . 1 1 5 5 ILE N N 15 118.583 0.5 . 1 . . . . 5 I N . 16944 1
44 . 1 1 6 6 VAL H H 1 8.563 0.3 . 1 . . . . 6 V HN . 16944 1
45 . 1 1 6 6 VAL HA H 1 3.983 0.3 . 1 . . . . 6 V HA . 16944 1
46 . 1 1 6 6 VAL HB H 1 2.239 0.3 . 1 . . . . 6 V HB . 16944 1
47 . 1 1 6 6 VAL HG21 H 1 0.904 0.3 . 1 . . . . 6 V HG21 . 16944 1
48 . 1 1 6 6 VAL HG22 H 1 0.904 0.3 . 1 . . . . 6 V HG21 . 16944 1
49 . 1 1 6 6 VAL HG23 H 1 0.904 0.3 . 1 . . . . 6 V HG21 . 16944 1
50 . 1 1 6 6 VAL C C 13 175.544 0.5 . 1 . . . . 6 V C . 16944 1
51 . 1 1 6 6 VAL CA C 13 64.104 0.5 . 1 . . . . 6 V CA . 16944 1
52 . 1 1 6 6 VAL CB C 13 32.110 0.5 . 1 . . . . 6 V CB . 16944 1
53 . 1 1 6 6 VAL CG2 C 13 22.500 0.5 . 1 . . . . 6 V CG2 . 16944 1
54 . 1 1 6 6 VAL N N 15 125.503 0.5 . 1 . . . . 6 V N . 16944 1
55 . 1 1 7 7 ASN H H 1 9.279 0.3 . 1 . . . . 7 N HN . 16944 1
56 . 1 1 7 7 ASN HA H 1 5.103 0.3 . 1 . . . . 7 N HA . 16944 1
57 . 1 1 7 7 ASN HB2 H 1 2.331 0.3 . 2 . . . . 7 N HB1 . 16944 1
58 . 1 1 7 7 ASN HB3 H 1 2.857 0.3 . 2 . . . . 7 N HB2 . 16944 1
59 . 1 1 7 7 ASN C C 13 173.979 0.5 . 1 . . . . 7 N C . 16944 1
60 . 1 1 7 7 ASN CA C 13 52.221 0.5 . 1 . . . . 7 N CA . 16944 1
61 . 1 1 7 7 ASN CB C 13 39.327 0.5 . 1 . . . . 7 N CB . 16944 1
62 . 1 1 7 7 ASN N N 15 112.218 0.5 . 1 . . . . 7 N N . 16944 1
63 . 1 1 8 8 VAL H H 1 7.217 0.3 . 1 . . . . 8 V HN . 16944 1
64 . 1 1 8 8 VAL HA H 1 4.578 0.3 . 1 . . . . 8 V HA . 16944 1
65 . 1 1 8 8 VAL HB H 1 2.117 0.3 . 1 . . . . 8 V HB . 16944 1
66 . 1 1 8 8 VAL HG11 H 1 0.775 0.3 . 1 . . . . 8 V HG11 . 16944 1
67 . 1 1 8 8 VAL HG12 H 1 0.775 0.3 . 1 . . . . 8 V HG11 . 16944 1
68 . 1 1 8 8 VAL HG13 H 1 0.775 0.3 . 1 . . . . 8 V HG11 . 16944 1
69 . 1 1 8 8 VAL HG21 H 1 0.790 0.3 . 1 . . . . 8 V HG21 . 16944 1
70 . 1 1 8 8 VAL HG22 H 1 0.790 0.3 . 1 . . . . 8 V HG21 . 16944 1
71 . 1 1 8 8 VAL HG23 H 1 0.790 0.3 . 1 . . . . 8 V HG21 . 16944 1
72 . 1 1 8 8 VAL C C 13 174.966 0.5 . 1 . . . . 8 V C . 16944 1
73 . 1 1 8 8 VAL CA C 13 59.636 0.5 . 1 . . . . 8 V CA . 16944 1
74 . 1 1 8 8 VAL CB C 13 35.069 0.5 . 1 . . . . 8 V CB . 16944 1
75 . 1 1 8 8 VAL CG1 C 13 22.295 0.5 . 1 . . . . 8 V CG1 . 16944 1
76 . 1 1 8 8 VAL CG2 C 13 22.339 0.5 . 1 . . . . 8 V CG2 . 16944 1
77 . 1 1 8 8 VAL N N 15 112.213 0.5 . 1 . . . . 8 V N . 16944 1
78 . 1 1 9 9 SER H H 1 8.574 0.3 . 1 . . . . 9 S HN . 16944 1
79 . 1 1 9 9 SER HA H 1 4.407 0.3 . 1 . . . . 9 S HA . 16944 1
80 . 1 1 9 9 SER HB2 H 1 3.866 0.3 . 2 . . . . 9 S HB1 . 16944 1
81 . 1 1 9 9 SER HB3 H 1 3.918 0.3 . 2 . . . . 9 S HB2 . 16944 1
82 . 1 1 9 9 SER C C 13 175.034 0.5 . 1 . . . . 9 S C . 16944 1
83 . 1 1 9 9 SER CA C 13 59.677 0.5 . 1 . . . . 9 S CA . 16944 1
84 . 1 1 9 9 SER CB C 13 63.169 0.5 . 1 . . . . 9 S CB . 16944 1
85 . 1 1 9 9 SER N N 15 115.676 0.5 . 1 . . . . 9 S N . 16944 1
86 . 1 1 10 10 SER H H 1 7.487 0.3 . 1 . . . . 10 S HN . 16944 1
87 . 1 1 10 10 SER HA H 1 4.582 0.3 . 1 . . . . 10 S HA . 16944 1
88 . 1 1 10 10 SER HB2 H 1 3.943 0.3 . 2 . . . . 10 S HB2 . 16944 1
89 . 1 1 10 10 SER C C 13 173.066 0.5 . 1 . . . . 10 S C . 16944 1
90 . 1 1 10 10 SER CA C 13 57.238 0.5 . 1 . . . . 10 S CA . 16944 1
91 . 1 1 10 10 SER CB C 13 63.573 0.5 . 1 . . . . 10 S CB . 16944 1
92 . 1 1 10 10 SER N N 15 115.405 0.5 . 1 . . . . 10 S N . 16944 1
93 . 1 1 11 11 SER H H 1 8.301 0.3 . 1 . . . . 11 S HN . 16944 1
94 . 1 1 11 11 SER HA H 1 4.795 0.3 . 1 . . . . 11 S HA . 16944 1
95 . 1 1 11 11 SER HB2 H 1 3.631 0.3 . 2 . . . . 11 S HB2 . 16944 1
96 . 1 1 11 11 SER C C 13 172.088 0.5 . 1 . . . . 11 S C . 16944 1
97 . 1 1 11 11 SER CA C 13 57.967 0.5 . 1 . . . . 11 S CA . 16944 1
98 . 1 1 11 11 SER CB C 13 65.374 0.5 . 1 . . . . 11 S CB . 16944 1
99 . 1 1 11 11 SER N N 15 115.771 0.5 . 1 . . . . 11 S N . 16944 1
100 . 1 1 12 12 LEU H H 1 9.022 0.3 . 1 . . . . 12 L HN . 16944 1
101 . 1 1 12 12 LEU HA H 1 4.562 0.3 . 1 . . . . 12 L HA . 16944 1
102 . 1 1 12 12 LEU HB2 H 1 1.115 0.3 . 2 . . . . 12 L HB1 . 16944 1
103 . 1 1 12 12 LEU HB3 H 1 1.643 0.3 . 2 . . . . 12 L HB2 . 16944 1
104 . 1 1 12 12 LEU HD11 H 1 1.640 0.3 . 1 . . . . 12 L HD11 . 16944 1
105 . 1 1 12 12 LEU HD12 H 1 1.640 0.3 . 1 . . . . 12 L HD11 . 16944 1
106 . 1 1 12 12 LEU HD13 H 1 1.640 0.3 . 1 . . . . 12 L HD11 . 16944 1
107 . 1 1 12 12 LEU HD21 H 1 0.901 0.3 . 1 . . . . 12 L HD21 . 16944 1
108 . 1 1 12 12 LEU HD22 H 1 0.901 0.3 . 1 . . . . 12 L HD21 . 16944 1
109 . 1 1 12 12 LEU HD23 H 1 0.901 0.3 . 1 . . . . 12 L HD21 . 16944 1
110 . 1 1 12 12 LEU HG H 1 0.864 0.3 . 1 . . . . 12 L HG . 16944 1
111 . 1 1 12 12 LEU C C 13 175.455 0.5 . 1 . . . . 12 L C . 16944 1
112 . 1 1 12 12 LEU CA C 13 52.814 0.5 . 1 . . . . 12 L CA . 16944 1
113 . 1 1 12 12 LEU CB C 13 46.327 0.5 . 1 . . . . 12 L CB . 16944 1
114 . 1 1 12 12 LEU CD1 C 13 26.705 0.5 . 1 . . . . 12 L CD1 . 16944 1
115 . 1 1 12 12 LEU CD2 C 13 24.982 0.5 . 1 . . . . 12 L CD2 . 16944 1
116 . 1 1 12 12 LEU CG C 13 27.906 0.5 . 1 . . . . 12 L CG . 16944 1
117 . 1 1 12 12 LEU N N 15 123.648 0.5 . 1 . . . . 12 L N . 16944 1
118 . 1 1 13 13 ASN H H 1 8.667 0.3 . 1 . . . . 13 N HN . 16944 1
119 . 1 1 13 13 ASN HA H 1 4.870 0.3 . 1 . . . . 13 N HA . 16944 1
120 . 1 1 13 13 ASN HB2 H 1 2.414 0.3 . 2 . . . . 13 N HB1 . 16944 1
121 . 1 1 13 13 ASN HB3 H 1 2.820 0.3 . 2 . . . . 13 N HB2 . 16944 1
122 . 1 1 13 13 ASN C C 13 173.399 0.5 . 1 . . . . 13 N C . 16944 1
123 . 1 1 13 13 ASN CA C 13 53.454 0.5 . 1 . . . . 13 N CA . 16944 1
124 . 1 1 13 13 ASN CB C 13 39.385 0.5 . 1 . . . . 13 N CB . 16944 1
125 . 1 1 13 13 ASN N N 15 123.163 0.5 . 1 . . . . 13 N N . 16944 1
126 . 1 1 14 14 VAL H H 1 8.447 0.3 . 1 . . . . 14 V HN . 16944 1
127 . 1 1 14 14 VAL HA H 1 4.130 0.3 . 1 . . . . 14 V HA . 16944 1
128 . 1 1 14 14 VAL HB H 1 1.013 0.3 . 1 . . . . 14 V HB . 16944 1
129 . 1 1 14 14 VAL HG21 H 1 0.191 0.3 . 1 . . . . 14 V HG21 . 16944 1
130 . 1 1 14 14 VAL HG22 H 1 0.191 0.3 . 1 . . . . 14 V HG21 . 16944 1
131 . 1 1 14 14 VAL HG23 H 1 0.191 0.3 . 1 . . . . 14 V HG21 . 16944 1
132 . 1 1 14 14 VAL C C 13 175.784 0.5 . 1 . . . . 14 V C . 16944 1
133 . 1 1 14 14 VAL CA C 13 61.265 0.5 . 1 . . . . 14 V CA . 16944 1
134 . 1 1 14 14 VAL CB C 13 32.450 0.5 . 1 . . . . 14 V CB . 16944 1
135 . 1 1 14 14 VAL CG2 C 13 20.280 0.5 . 1 . . . . 14 V CG2 . 16944 1
136 . 1 1 14 14 VAL N N 15 122.174 0.5 . 1 . . . . 14 V N . 16944 1
137 . 1 1 15 15 ARG H H 1 9.470 0.3 . 1 . . . . 15 R HN . 16944 1
138 . 1 1 15 15 ARG HA H 1 5.373 0.3 . 1 . . . . 15 R HA . 16944 1
139 . 1 1 15 15 ARG HB2 H 1 1.658 0.3 . 2 . . . . 15 R HB1 . 16944 1
140 . 1 1 15 15 ARG HB3 H 1 2.276 0.3 . 2 . . . . 15 R HB2 . 16944 1
141 . 1 1 15 15 ARG HD2 H 1 3.105 0.3 . 2 . . . . 15 R HD2 . 16944 1
142 . 1 1 15 15 ARG HG2 H 1 1.455 0.3 . 2 . . . . 15 R HG1 . 16944 1
143 . 1 1 15 15 ARG HG3 H 1 1.685 0.3 . 2 . . . . 15 R HG2 . 16944 1
144 . 1 1 15 15 ARG C C 13 177.739 0.5 . 1 . . . . 15 R C . 16944 1
145 . 1 1 15 15 ARG CA C 13 54.391 0.5 . 1 . . . . 15 R CA . 16944 1
146 . 1 1 15 15 ARG CB C 13 32.784 0.5 . 1 . . . . 15 R CB . 16944 1
147 . 1 1 15 15 ARG CD C 13 43.303 0.5 . 1 . . . . 15 R CD . 16944 1
148 . 1 1 15 15 ARG CG C 13 28.606 0.5 . 1 . . . . 15 R CG . 16944 1
149 . 1 1 15 15 ARG N N 15 126.015 0.5 . 1 . . . . 15 R N . 16944 1
150 . 1 1 16 16 SER H H 1 8.740 0.3 . 1 . . . . 16 S HN . 16944 1
151 . 1 1 16 16 SER HA H 1 4.353 0.3 . 1 . . . . 16 S HA . 16944 1
152 . 1 1 16 16 SER HB2 H 1 3.862 0.3 . 2 . . . . 16 S HB1 . 16944 1
153 . 1 1 16 16 SER HB3 H 1 4.097 0.3 . 2 . . . . 16 S HB2 . 16944 1
154 . 1 1 16 16 SER C C 13 174.499 0.5 . 1 . . . . 16 S C . 16944 1
155 . 1 1 16 16 SER CA C 13 60.328 0.5 . 1 . . . . 16 S CA . 16944 1
156 . 1 1 16 16 SER CB C 13 63.884 0.5 . 1 . . . . 16 S CB . 16944 1
157 . 1 1 16 16 SER N N 15 113.879 0.5 . 1 . . . . 16 S N . 16944 1
158 . 1 1 17 17 SER H H 1 7.854 0.3 . 1 . . . . 17 S HN . 16944 1
159 . 1 1 17 17 SER HA H 1 4.149 0.3 . 1 . . . . 17 S HA . 16944 1
160 . 1 1 17 17 SER HB2 H 1 3.524 0.3 . 2 . . . . 17 S HB2 . 16944 1
161 . 1 1 17 17 SER C C 13 171.779 0.5 . 1 . . . . 17 S C . 16944 1
162 . 1 1 17 17 SER CA C 13 57.010 0.5 . 1 . . . . 17 S CA . 16944 1
163 . 1 1 17 17 SER CB C 13 65.271 0.5 . 1 . . . . 17 S CB . 16944 1
164 . 1 1 17 17 SER N N 15 114.920 0.5 . 1 . . . . 17 S N . 16944 1
165 . 1 1 18 18 ALA H H 1 7.363 0.3 . 1 . . . . 18 A HN . 16944 1
166 . 1 1 18 18 ALA HA H 1 2.627 0.3 . 1 . . . . 18 A HA . 16944 1
167 . 1 1 18 18 ALA HB1 H 1 0.683 0.3 . 1 . . . . 18 A HB1 . 16944 1
168 . 1 1 18 18 ALA HB2 H 1 0.683 0.3 . 1 . . . . 18 A HB1 . 16944 1
169 . 1 1 18 18 ALA HB3 H 1 0.683 0.3 . 1 . . . . 18 A HB1 . 16944 1
170 . 1 1 18 18 ALA C C 13 175.743 0.5 . 1 . . . . 18 A C . 16944 1
171 . 1 1 18 18 ALA CA C 13 50.142 0.5 . 1 . . . . 18 A CA . 16944 1
172 . 1 1 18 18 ALA CB C 13 16.335 0.5 . 1 . . . . 18 A CB . 16944 1
173 . 1 1 18 18 ALA N N 15 122.755 0.5 . 1 . . . . 18 A N . 16944 1
174 . 1 1 19 19 SER H H 1 7.536 0.3 . 1 . . . . 19 S HN . 16944 1
175 . 1 1 19 19 SER HA H 1 4.542 0.3 . 1 . . . . 19 S HA . 16944 1
176 . 1 1 19 19 SER HB2 H 1 3.144 0.3 . 2 . . . . 19 S HB1 . 16944 1
177 . 1 1 19 19 SER HB3 H 1 3.770 0.3 . 2 . . . . 19 S HB2 . 16944 1
178 . 1 1 19 19 SER C C 13 175.826 0.5 . 1 . . . . 19 S C . 16944 1
179 . 1 1 19 19 SER CA C 13 55.907 0.5 . 1 . . . . 19 S CA . 16944 1
180 . 1 1 19 19 SER CB C 13 64.517 0.5 . 1 . . . . 19 S CB . 16944 1
181 . 1 1 19 19 SER N N 15 115.843 0.5 . 1 . . . . 19 S N . 16944 1
182 . 1 1 20 20 THR H H 1 9.121 0.3 . 1 . . . . 20 T HN . 16944 1
183 . 1 1 20 20 THR HA H 1 4.051 0.3 . 1 . . . . 20 T HA . 16944 1
184 . 1 1 20 20 THR HB H 1 4.483 0.3 . 1 . . . . 20 T HB . 16944 1
185 . 1 1 20 20 THR HG21 H 1 1.455 0.3 . 1 . . . . 20 T HG21 . 16944 1
186 . 1 1 20 20 THR HG22 H 1 1.455 0.3 . 1 . . . . 20 T HG21 . 16944 1
187 . 1 1 20 20 THR HG23 H 1 1.455 0.3 . 1 . . . . 20 T HG21 . 16944 1
188 . 1 1 20 20 THR C C 13 174.361 0.5 . 1 . . . . 20 T C . 16944 1
189 . 1 1 20 20 THR CA C 13 64.227 0.5 . 1 . . . . 20 T CA . 16944 1
190 . 1 1 20 20 THR CB C 13 68.620 0.5 . 1 . . . . 20 T CB . 16944 1
191 . 1 1 20 20 THR CG2 C 13 22.628 0.5 . 1 . . . . 20 T CG2 . 16944 1
192 . 1 1 20 20 THR N N 15 118.856 0.5 . 1 . . . . 20 T N . 16944 1
193 . 1 1 21 21 SER H H 1 8.033 0.3 . 1 . . . . 21 S HN . 16944 1
194 . 1 1 21 21 SER HA H 1 4.581 0.3 . 1 . . . . 21 S HA . 16944 1
195 . 1 1 21 21 SER HB2 H 1 3.861 0.3 . 2 . . . . 21 S HB2 . 16944 1
196 . 1 1 21 21 SER C C 13 174.396 0.5 . 1 . . . . 21 S C . 16944 1
197 . 1 1 21 21 SER CA C 13 57.626 0.5 . 1 . . . . 21 S CA . 16944 1
198 . 1 1 21 21 SER CB C 13 63.619 0.5 . 1 . . . . 21 S CB . 16944 1
199 . 1 1 21 21 SER N N 15 113.854 0.5 . 1 . . . . 21 S N . 16944 1
200 . 1 1 22 22 SER H H 1 7.166 0.3 . 1 . . . . 22 S HN . 16944 1
201 . 1 1 22 22 SER HA H 1 4.275 0.3 . 1 . . . . 22 S HA . 16944 1
202 . 1 1 22 22 SER HB2 H 1 3.750 0.3 . 2 . . . . 22 S HB1 . 16944 1
203 . 1 1 22 22 SER HB3 H 1 3.852 0.3 . 2 . . . . 22 S HB2 . 16944 1
204 . 1 1 22 22 SER C C 13 173.454 0.5 . 1 . . . . 22 S C . 16944 1
205 . 1 1 22 22 SER CA C 13 57.998 0.5 . 1 . . . . 22 S CA . 16944 1
206 . 1 1 22 22 SER CB C 13 64.980 0.5 . 1 . . . . 22 S CB . 16944 1
207 . 1 1 22 22 SER N N 15 116.810 0.5 . 1 . . . . 22 S N . 16944 1
208 . 1 1 23 23 LYS H H 1 8.087 0.3 . 1 . . . . 23 K HN . 16944 1
209 . 1 1 23 23 LYS HA H 1 4.143 0.3 . 1 . . . . 23 K HA . 16944 1
210 . 1 1 23 23 LYS HB2 H 1 1.761 0.3 . 2 . . . . 23 K HB2 . 16944 1
211 . 1 1 23 23 LYS HD2 H 1 1.648 0.3 . 2 . . . . 23 K HD2 . 16944 1
212 . 1 1 23 23 LYS HE2 H 1 3.441 0.3 . 2 . . . . 23 K HE1 . 16944 1
213 . 1 1 23 23 LYS HE3 H 1 2.957 0.3 . 2 . . . . 23 K HE2 . 16944 1
214 . 1 1 23 23 LYS HG2 H 1 1.398 0.3 . 2 . . . . 23 K HG2 . 16944 1
215 . 1 1 23 23 LYS C C 13 176.179 0.5 . 1 . . . . 23 K C . 16944 1
216 . 1 1 23 23 LYS CA C 13 57.060 0.5 . 1 . . . . 23 K CA . 16944 1
217 . 1 1 23 23 LYS CB C 13 33.583 0.5 . 1 . . . . 23 K CB . 16944 1
218 . 1 1 23 23 LYS CD C 13 29.278 0.5 . 1 . . . . 23 K CD . 16944 1
219 . 1 1 23 23 LYS CE C 13 42.178 0.5 . 1 . . . . 23 K CE . 16944 1
220 . 1 1 23 23 LYS CG C 13 24.733 0.5 . 1 . . . . 23 K CG . 16944 1
221 . 1 1 23 23 LYS N N 15 121.112 0.5 . 1 . . . . 23 K N . 16944 1
222 . 1 1 24 24 VAL H H 1 8.555 0.3 . 1 . . . . 24 V HN . 16944 1
223 . 1 1 24 24 VAL HA H 1 4.287 0.3 . 1 . . . . 24 V HA . 16944 1
224 . 1 1 24 24 VAL HB H 1 1.986 0.3 . 1 . . . . 24 V HB . 16944 1
225 . 1 1 24 24 VAL HG11 H 1 0.982 0.3 . 1 . . . . 24 V HG11 . 16944 1
226 . 1 1 24 24 VAL HG12 H 1 0.982 0.3 . 1 . . . . 24 V HG11 . 16944 1
227 . 1 1 24 24 VAL HG13 H 1 0.982 0.3 . 1 . . . . 24 V HG11 . 16944 1
228 . 1 1 24 24 VAL HG21 H 1 0.995 0.3 . 1 . . . . 24 V HG21 . 16944 1
229 . 1 1 24 24 VAL HG22 H 1 0.995 0.3 . 1 . . . . 24 V HG21 . 16944 1
230 . 1 1 24 24 VAL HG23 H 1 0.995 0.3 . 1 . . . . 24 V HG21 . 16944 1
231 . 1 1 24 24 VAL C C 13 177.471 0.5 . 1 . . . . 24 V C . 16944 1
232 . 1 1 24 24 VAL CA C 13 63.273 0.5 . 1 . . . . 24 V CA . 16944 1
233 . 1 1 24 24 VAL CB C 13 32.052 0.5 . 1 . . . . 24 V CB . 16944 1
234 . 1 1 24 24 VAL CG1 C 13 21.815 0.5 . 1 . . . . 24 V CG1 . 16944 1
235 . 1 1 24 24 VAL CG2 C 13 21.866 0.5 . 1 . . . . 24 V CG2 . 16944 1
236 . 1 1 24 24 VAL N N 15 123.902 0.5 . 1 . . . . 24 V N . 16944 1
237 . 1 1 25 25 ILE H H 1 8.976 0.3 . 1 . . . . 25 I HN . 16944 1
238 . 1 1 25 25 ILE HA H 1 4.597 0.3 . 1 . . . . 25 I HA . 16944 1
239 . 1 1 25 25 ILE HB H 1 2.189 0.3 . 1 . . . . 25 I HB . 16944 1
240 . 1 1 25 25 ILE HG12 H 1 0.574 0.3 . 2 . . . . 25 I HG11 . 16944 1
241 . 1 1 25 25 ILE HG13 H 1 0.835 0.3 . 2 . . . . 25 I HG12 . 16944 1
242 . 1 1 25 25 ILE HG21 H 1 0.903 0.3 . 1 . . . . 25 I HG21 . 16944 1
243 . 1 1 25 25 ILE HG22 H 1 0.903 0.3 . 1 . . . . 25 I HG21 . 16944 1
244 . 1 1 25 25 ILE HG23 H 1 0.903 0.3 . 1 . . . . 25 I HG21 . 16944 1
245 . 1 1 25 25 ILE C C 13 175.175 0.5 . 1 . . . . 25 I C . 16944 1
246 . 1 1 25 25 ILE CA C 13 60.888 0.5 . 1 . . . . 25 I CA . 16944 1
247 . 1 1 25 25 ILE CB C 13 38.944 0.5 . 1 . . . . 25 I CB . 16944 1
248 . 1 1 25 25 ILE CG1 C 13 26.152 0.5 . 1 . . . . 25 I CG1 . 16944 1
249 . 1 1 25 25 ILE CG2 C 13 18.246 0.5 . 1 . . . . 25 I CG2 . 16944 1
250 . 1 1 25 25 ILE N N 15 121.083 0.5 . 1 . . . . 25 I N . 16944 1
251 . 1 1 26 26 GLY H H 1 7.552 0.3 . 1 . . . . 26 G HN . 16944 1
252 . 1 1 26 26 GLY HA2 H 1 4.049 0.3 . 2 . . . . 26 G HA1 . 16944 1
253 . 1 1 26 26 GLY HA3 H 1 4.460 0.3 . 2 . . . . 26 G HA2 . 16944 1
254 . 1 1 26 26 GLY C C 13 170.833 0.5 . 1 . . . . 26 G C . 16944 1
255 . 1 1 26 26 GLY CA C 13 45.134 0.5 . 1 . . . . 26 G CA . 16944 1
256 . 1 1 26 26 GLY N N 15 109.425 0.5 . 1 . . . . 26 G N . 16944 1
257 . 1 1 27 27 SER H H 1 8.087 0.3 . 1 . . . . 27 S HN . 16944 1
258 . 1 1 27 27 SER HA H 1 5.353 0.3 . 1 . . . . 27 S HA . 16944 1
259 . 1 1 27 27 SER HB2 H 1 3.549 0.3 . 2 . . . . 27 S HB1 . 16944 1
260 . 1 1 27 27 SER HB3 H 1 3.702 0.3 . 2 . . . . 27 S HB2 . 16944 1
261 . 1 1 27 27 SER C C 13 173.282 0.5 . 1 . . . . 27 S C . 16944 1
262 . 1 1 27 27 SER CA C 13 57.045 0.5 . 1 . . . . 27 S CA . 16944 1
263 . 1 1 27 27 SER CB C 13 65.886 0.5 . 1 . . . . 27 S CB . 16944 1
264 . 1 1 27 27 SER N N 15 112.448 0.5 . 1 . . . . 27 S N . 16944 1
265 . 1 1 28 28 LEU H H 1 8.968 0.3 . 1 . . . . 28 L HN . 16944 1
266 . 1 1 28 28 LEU HA H 1 4.890 0.3 . 1 . . . . 28 L HA . 16944 1
267 . 1 1 28 28 LEU HB2 H 1 1.367 0.3 . 2 . . . . 28 L HB1 . 16944 1
268 . 1 1 28 28 LEU HB3 H 1 1.546 0.3 . 2 . . . . 28 L HB2 . 16944 1
269 . 1 1 28 28 LEU HD11 H 1 0.639 0.3 . 1 . . . . 28 L HD11 . 16944 1
270 . 1 1 28 28 LEU HD12 H 1 0.639 0.3 . 1 . . . . 28 L HD11 . 16944 1
271 . 1 1 28 28 LEU HD13 H 1 0.639 0.3 . 1 . . . . 28 L HD11 . 16944 1
272 . 1 1 28 28 LEU HD21 H 1 0.658 0.3 . 1 . . . . 28 L HD21 . 16944 1
273 . 1 1 28 28 LEU HD22 H 1 0.658 0.3 . 1 . . . . 28 L HD21 . 16944 1
274 . 1 1 28 28 LEU HD23 H 1 0.658 0.3 . 1 . . . . 28 L HD21 . 16944 1
275 . 1 1 28 28 LEU HG H 1 1.049 0.3 . 1 . . . . 28 L HG . 16944 1
276 . 1 1 28 28 LEU C C 13 176.130 0.5 . 1 . . . . 28 L C . 16944 1
277 . 1 1 28 28 LEU CA C 13 53.009 0.5 . 1 . . . . 28 L CA . 16944 1
278 . 1 1 28 28 LEU CB C 13 46.598 0.5 . 1 . . . . 28 L CB . 16944 1
279 . 1 1 28 28 LEU CD1 C 13 27.021 0.5 . 1 . . . . 28 L CD1 . 16944 1
280 . 1 1 28 28 LEU CD2 C 13 27.018 0.5 . 1 . . . . 28 L CD2 . 16944 1
281 . 1 1 28 28 LEU CG C 13 23.856 0.5 . 1 . . . . 28 L CG . 16944 1
282 . 1 1 28 28 LEU N N 15 122.987 0.5 . 1 . . . . 28 L N . 16944 1
283 . 1 1 29 29 SER H H 1 8.543 0.3 . 1 . . . . 29 S HN . 16944 1
284 . 1 1 29 29 SER HA H 1 4.508 0.3 . 1 . . . . 29 S HA . 16944 1
285 . 1 1 29 29 SER HB2 H 1 3.837 0.3 . 2 . . . . 29 S HB2 . 16944 1
286 . 1 1 29 29 SER C C 13 175.700 0.5 . 1 . . . . 29 S C . 16944 1
287 . 1 1 29 29 SER CA C 13 57.971 0.5 . 1 . . . . 29 S CA . 16944 1
288 . 1 1 29 29 SER CB C 13 64.209 0.5 . 1 . . . . 29 S CB . 16944 1
289 . 1 1 29 29 SER N N 15 116.444 0.5 . 1 . . . . 29 S N . 16944 1
290 . 1 1 30 30 GLY H H 1 8.422 0.3 . 1 . . . . 30 G HN . 16944 1
291 . 1 1 30 30 GLY HA2 H 1 3.715 0.3 . 2 . . . . 30 G HA1 . 16944 1
292 . 1 1 30 30 GLY HA3 H 1 3.902 0.3 . 2 . . . . 30 G HA2 . 16944 1
293 . 1 1 30 30 GLY C C 13 173.992 0.5 . 1 . . . . 30 G C . 16944 1
294 . 1 1 30 30 GLY CA C 13 47.309 0.5 . 1 . . . . 30 G CA . 16944 1
295 . 1 1 30 30 GLY N N 15 110.088 0.5 . 1 . . . . 30 G N . 16944 1
296 . 1 1 31 31 ASN H H 1 9.032 0.3 . 1 . . . . 31 N HN . 16944 1
297 . 1 1 31 31 ASN HA H 1 4.338 0.3 . 1 . . . . 31 N HA . 16944 1
298 . 1 1 31 31 ASN HB2 H 1 3.058 0.3 . 2 . . . . 31 N HB2 . 16944 1
299 . 1 1 31 31 ASN C C 13 174.478 0.5 . 1 . . . . 31 N C . 16944 1
300 . 1 1 31 31 ASN CA C 13 55.198 0.5 . 1 . . . . 31 N CA . 16944 1
301 . 1 1 31 31 ASN CB C 13 37.737 0.5 . 1 . . . . 31 N CB . 16944 1
302 . 1 1 31 31 ASN N N 15 116.781 0.5 . 1 . . . . 31 N N . 16944 1
303 . 1 1 32 32 THR H H 1 7.393 0.3 . 1 . . . . 32 T HN . 16944 1
304 . 1 1 32 32 THR HA H 1 4.177 0.3 . 1 . . . . 32 T HA . 16944 1
305 . 1 1 32 32 THR HB H 1 4.001 0.3 . 1 . . . . 32 T HB . 16944 1
306 . 1 1 32 32 THR HG21 H 1 1.316 0.3 . 1 . . . . 32 T HG21 . 16944 1
307 . 1 1 32 32 THR HG22 H 1 1.316 0.3 . 1 . . . . 32 T HG21 . 16944 1
308 . 1 1 32 32 THR HG23 H 1 1.316 0.3 . 1 . . . . 32 T HG21 . 16944 1
309 . 1 1 32 32 THR C C 13 173.045 0.5 . 1 . . . . 32 T C . 16944 1
310 . 1 1 32 32 THR CA C 13 63.974 0.5 . 1 . . . . 32 T CA . 16944 1
311 . 1 1 32 32 THR CB C 13 69.926 0.5 . 1 . . . . 32 T CB . 16944 1
312 . 1 1 32 32 THR CG2 C 13 21.885 0.5 . 1 . . . . 32 T CG2 . 16944 1
313 . 1 1 32 32 THR N N 15 114.977 0.5 . 1 . . . . 32 T N . 16944 1
314 . 1 1 33 33 LYS H H 1 8.648 0.3 . 1 . . . . 33 K HN . 16944 1
315 . 1 1 33 33 LYS HA H 1 5.078 0.3 . 1 . . . . 33 K HA . 16944 1
316 . 1 1 33 33 LYS HB2 H 1 1.737 0.3 . 2 . . . . 33 K HB2 . 16944 1
317 . 1 1 33 33 LYS HD2 H 1 1.574 0.3 . 2 . . . . 33 K HD2 . 16944 1
318 . 1 1 33 33 LYS HE2 H 1 2.827 0.3 . 2 . . . . 33 K HE2 . 16944 1
319 . 1 1 33 33 LYS HG2 H 1 1.270 0.3 . 2 . . . . 33 K HG1 . 16944 1
320 . 1 1 33 33 LYS HG3 H 1 1.476 0.3 . 2 . . . . 33 K HG2 . 16944 1
321 . 1 1 33 33 LYS C C 13 176.544 0.5 . 1 . . . . 33 K C . 16944 1
322 . 1 1 33 33 LYS CA C 13 56.024 0.5 . 1 . . . . 33 K CA . 16944 1
323 . 1 1 33 33 LYS CB C 13 33.443 0.5 . 1 . . . . 33 K CB . 16944 1
324 . 1 1 33 33 LYS CD C 13 29.401 0.5 . 1 . . . . 33 K CD . 16944 1
325 . 1 1 33 33 LYS CE C 13 42.053 0.5 . 1 . . . . 33 K CE . 16944 1
326 . 1 1 33 33 LYS CG C 13 25.262 0.5 . 1 . . . . 33 K CG . 16944 1
327 . 1 1 33 33 LYS N N 15 126.509 0.5 . 1 . . . . 33 K N . 16944 1
328 . 1 1 34 34 VAL H H 1 8.936 0.3 . 1 . . . . 34 V HN . 16944 1
329 . 1 1 34 34 VAL HA H 1 4.779 0.3 . 1 . . . . 34 V HA . 16944 1
330 . 1 1 34 34 VAL HB H 1 1.938 0.3 . 1 . . . . 34 V HB . 16944 1
331 . 1 1 34 34 VAL HG11 H 1 0.500 0.3 . 1 . . . . 34 V HG11 . 16944 1
332 . 1 1 34 34 VAL HG12 H 1 0.500 0.3 . 1 . . . . 34 V HG11 . 16944 1
333 . 1 1 34 34 VAL HG13 H 1 0.500 0.3 . 1 . . . . 34 V HG11 . 16944 1
334 . 1 1 34 34 VAL HG21 H 1 0.760 0.3 . 1 . . . . 34 V HG21 . 16944 1
335 . 1 1 34 34 VAL HG22 H 1 0.760 0.3 . 1 . . . . 34 V HG21 . 16944 1
336 . 1 1 34 34 VAL HG23 H 1 0.760 0.3 . 1 . . . . 34 V HG21 . 16944 1
337 . 1 1 34 34 VAL C C 13 173.890 0.5 . 1 . . . . 34 V C . 16944 1
338 . 1 1 34 34 VAL CA C 13 58.463 0.5 . 1 . . . . 34 V CA . 16944 1
339 . 1 1 34 34 VAL CB C 13 33.836 0.5 . 1 . . . . 34 V CB . 16944 1
340 . 1 1 34 34 VAL CG1 C 13 18.257 0.5 . 1 . . . . 34 V CG1 . 16944 1
341 . 1 1 34 34 VAL CG2 C 13 22.878 0.5 . 1 . . . . 34 V CG2 . 16944 1
342 . 1 1 34 34 VAL N N 15 116.760 0.5 . 1 . . . . 34 V N . 16944 1
343 . 1 1 35 35 THR H H 1 8.086 0.3 . 1 . . . . 35 T HN . 16944 1
344 . 1 1 35 35 THR HA H 1 4.454 0.3 . 1 . . . . 35 T HA . 16944 1
345 . 1 1 35 35 THR HB H 1 3.964 0.3 . 1 . . . . 35 T HB . 16944 1
346 . 1 1 35 35 THR HG21 H 1 1.071 0.3 . 1 . . . . 35 T HG21 . 16944 1
347 . 1 1 35 35 THR HG22 H 1 1.071 0.3 . 1 . . . . 35 T HG21 . 16944 1
348 . 1 1 35 35 THR HG23 H 1 1.071 0.3 . 1 . . . . 35 T HG21 . 16944 1
349 . 1 1 35 35 THR C C 13 173.645 0.5 . 1 . . . . 35 T C . 16944 1
350 . 1 1 35 35 THR CA C 13 62.586 0.5 . 1 . . . . 35 T CA . 16944 1
351 . 1 1 35 35 THR CB C 13 69.461 0.5 . 1 . . . . 35 T CB . 16944 1
352 . 1 1 35 35 THR CG2 C 13 22.091 0.5 . 1 . . . . 35 T CG2 . 16944 1
353 . 1 1 35 35 THR N N 15 125.318 0.5 . 1 . . . . 35 T N . 16944 1
354 . 1 1 36 36 ILE H H 1 8.728 0.3 . 1 . . . . 36 I HN . 16944 1
355 . 1 1 36 36 ILE HA H 1 4.147 0.3 . 1 . . . . 36 I HA . 16944 1
356 . 1 1 36 36 ILE HB H 1 1.331 0.3 . 1 . . . . 36 I HB . 16944 1
357 . 1 1 36 36 ILE HD11 H 1 -0.116 0.3 . 1 . . . . 36 I HD11 . 16944 1
358 . 1 1 36 36 ILE HD12 H 1 -0.116 0.3 . 1 . . . . 36 I HD11 . 16944 1
359 . 1 1 36 36 ILE HD13 H 1 -0.116 0.3 . 1 . . . . 36 I HD11 . 16944 1
360 . 1 1 36 36 ILE HG12 H 1 0.708 0.3 . 2 . . . . 36 I HG11 . 16944 1
361 . 1 1 36 36 ILE HG13 H 1 0.176 0.3 . 2 . . . . 36 I HG12 . 16944 1
362 . 1 1 36 36 ILE HG21 H 1 0.727 0.3 . 1 . . . . 36 I HG21 . 16944 1
363 . 1 1 36 36 ILE HG22 H 1 0.727 0.3 . 1 . . . . 36 I HG21 . 16944 1
364 . 1 1 36 36 ILE HG23 H 1 0.727 0.3 . 1 . . . . 36 I HG21 . 16944 1
365 . 1 1 36 36 ILE C C 13 176.122 0.5 . 1 . . . . 36 I C . 16944 1
366 . 1 1 36 36 ILE CA C 13 61.602 0.5 . 1 . . . . 36 I CA . 16944 1
367 . 1 1 36 36 ILE CB C 13 39.455 0.5 . 1 . . . . 36 I CB . 16944 1
368 . 1 1 36 36 ILE CD1 C 13 12.960 0.5 . 1 . . . . 36 I CD1 . 16944 1
369 . 1 1 36 36 ILE CG1 C 13 22.810 0.5 . 1 . . . . 36 I CG1 . 16944 1
370 . 1 1 36 36 ILE CG2 C 13 17.716 0.5 . 1 . . . . 36 I CG2 . 16944 1
371 . 1 1 36 36 ILE N N 15 127.947 0.5 . 1 . . . . 36 I N . 16944 1
372 . 1 1 37 37 VAL H H 1 9.0648 0.3 . 1 . . . . 37 V HN . 16944 1
373 . 1 1 37 37 VAL HA H 1 4.401 0.3 . 1 . . . . 37 V HA . 16944 1
374 . 1 1 37 37 VAL HB H 1 2.269 0.3 . 1 . . . . 37 V HB . 16944 1
375 . 1 1 37 37 VAL HG11 H 1 0.867 0.3 . 1 . . . . 37 V HG11 . 16944 1
376 . 1 1 37 37 VAL HG12 H 1 0.867 0.3 . 1 . . . . 37 V HG11 . 16944 1
377 . 1 1 37 37 VAL HG13 H 1 0.867 0.3 . 1 . . . . 37 V HG11 . 16944 1
378 . 1 1 37 37 VAL HG21 H 1 0.885 0.3 . 1 . . . . 37 V HG21 . 16944 1
379 . 1 1 37 37 VAL HG22 H 1 0.885 0.3 . 1 . . . . 37 V HG21 . 16944 1
380 . 1 1 37 37 VAL HG23 H 1 0.885 0.3 . 1 . . . . 37 V HG21 . 16944 1
381 . 1 1 37 37 VAL C C 13 175.649 0.5 . 1 . . . . 37 V C . 16944 1
382 . 1 1 37 37 VAL CA C 13 59.576 0.5 . 1 . . . . 37 V CA . 16944 1
383 . 1 1 37 37 VAL CB C 13 31.833 0.5 . 1 . . . . 37 V CB . 16944 1
384 . 1 1 37 37 VAL CG1 C 13 21.825 0.5 . 1 . . . . 37 V CG1 . 16944 1
385 . 1 1 37 37 VAL CG2 C 13 21.879 0.5 . 1 . . . . 37 V CG2 . 16944 1
386 . 1 1 37 37 VAL N N 15 120.529 0.5 . 1 . . . . 37 V N . 16944 1
387 . 1 1 38 38 GLY H H 1 7.842 0.3 . 1 . . . . 38 G HN . 16944 1
388 . 1 1 38 38 GLY HA2 H 1 4.230 0.3 . 2 . . . . 38 G HA2 . 16944 1
389 . 1 1 38 38 GLY C C 13 171.162 0.5 . 1 . . . . 38 G C . 16944 1
390 . 1 1 38 38 GLY CA C 13 45.530 0.5 . 1 . . . . 38 G CA . 16944 1
391 . 1 1 38 38 GLY N N 15 109.315 0.5 . 1 . . . . 38 G N . 16944 1
392 . 1 1 39 39 GLU H H 1 8.714 0.3 . 1 . . . . 39 E HN . 16944 1
393 . 1 1 39 39 GLU HA H 1 5.144 0.3 . 1 . . . . 39 E HA . 16944 1
394 . 1 1 39 39 GLU HB2 H 1 2.167 0.3 . 2 . . . . 39 E HB1 . 16944 1
395 . 1 1 39 39 GLU HB3 H 1 2.226 0.3 . 2 . . . . 39 E HB2 . 16944 1
396 . 1 1 39 39 GLU HG2 H 1 2.026 0.3 . 2 . . . . 39 E HG2 . 16944 1
397 . 1 1 39 39 GLU C C 13 174.473 0.5 . 1 . . . . 39 E C . 16944 1
398 . 1 1 39 39 GLU CA C 13 55.752 0.5 . 1 . . . . 39 E CA . 16944 1
399 . 1 1 39 39 GLU CB C 13 33.252 0.5 . 1 . . . . 39 E CB . 16944 1
400 . 1 1 39 39 GLU CG C 13 35.395 0.5 . 1 . . . . 39 E CG . 16944 1
401 . 1 1 39 39 GLU N N 15 119.295 0.5 . 1 . . . . 39 E N . 16944 1
402 . 1 1 40 40 GLU H H 1 8.834 0.3 . 1 . . . . 40 E HN . 16944 1
403 . 1 1 40 40 GLU HA H 1 4.431 0.3 . 1 . . . . 40 E HA . 16944 1
404 . 1 1 40 40 GLU HB2 H 1 1.927 0.3 . 2 . . . . 40 E HB2 . 16944 1
405 . 1 1 40 40 GLU HG2 H 1 2.177 0.3 . 2 . . . . 40 E HG2 . 16944 1
406 . 1 1 40 40 GLU C C 13 175.046 0.5 . 1 . . . . 40 E C . 16944 1
407 . 1 1 40 40 GLU CA C 13 56.194 0.5 . 1 . . . . 40 E CA . 16944 1
408 . 1 1 40 40 GLU CB C 13 32.669 0.5 . 1 . . . . 40 E CB . 16944 1
409 . 1 1 40 40 GLU CG C 13 36.374 0.5 . 1 . . . . 40 E CG . 16944 1
410 . 1 1 40 40 GLU N N 15 124.438 0.5 . 1 . . . . 40 E N . 16944 1
411 . 1 1 41 41 GLY H H 1 8.936 0.3 . 1 . . . . 41 G HN . 16944 1
412 . 1 1 41 41 GLY HA2 H 1 3.681 0.3 . 2 . . . . 41 G HA1 . 16944 1
413 . 1 1 41 41 GLY HA3 H 1 4.034 0.3 . 2 . . . . 41 G HA2 . 16944 1
414 . 1 1 41 41 GLY C C 13 174.811 0.5 . 1 . . . . 41 G C . 16944 1
415 . 1 1 41 41 GLY CA C 13 47.210 0.5 . 1 . . . . 41 G CA . 16944 1
416 . 1 1 41 41 GLY N N 15 115.410 0.5 . 1 . . . . 41 G N . 16944 1
417 . 1 1 42 42 ALA H H 1 8.891 0.3 . 1 . . . . 42 A HN . 16944 1
418 . 1 1 42 42 ALA HA H 1 4.303 0.3 . 1 . . . . 42 A HA . 16944 1
419 . 1 1 42 42 ALA HB1 H 1 1.131 0.3 . 1 . . . . 42 A HB1 . 16944 1
420 . 1 1 42 42 ALA HB2 H 1 1.131 0.3 . 1 . . . . 42 A HB1 . 16944 1
421 . 1 1 42 42 ALA HB3 H 1 1.131 0.3 . 1 . . . . 42 A HB1 . 16944 1
422 . 1 1 42 42 ALA C C 13 176.026 0.5 . 1 . . . . 42 A C . 16944 1
423 . 1 1 42 42 ALA CA C 13 51.709 0.5 . 1 . . . . 42 A CA . 16944 1
424 . 1 1 42 42 ALA CB C 13 18.171 0.5 . 1 . . . . 42 A CB . 16944 1
425 . 1 1 42 42 ALA N N 15 129.311 0.5 . 1 . . . . 42 A N . 16944 1
426 . 1 1 43 43 PHE H H 1 8.364 0.3 . 1 . . . . 43 F HN . 16944 1
427 . 1 1 43 43 PHE HA H 1 4.951 0.3 . 1 . . . . 43 F HA . 16944 1
428 . 1 1 43 43 PHE HB2 H 1 3.032 0.3 . 2 . . . . 43 F HB1 . 16944 1
429 . 1 1 43 43 PHE HB3 H 1 3.178 0.3 . 2 . . . . 43 F HB2 . 16944 1
430 . 1 1 43 43 PHE HD1 H 1 6.977 0.3 . 3 . . . . 43 F HD1 . 16944 1
431 . 1 1 43 43 PHE HD2 H 1 7.234 0.3 . 3 . . . . 43 F HD2 . 16944 1
432 . 1 1 43 43 PHE C C 13 175.743 0.5 . 1 . . . . 43 F C . 16944 1
433 . 1 1 43 43 PHE CA C 13 57.886 0.5 . 1 . . . . 43 F CA . 16944 1
434 . 1 1 43 43 PHE CB C 13 42.881 0.5 . 1 . . . . 43 F CB . 16944 1
435 . 1 1 43 43 PHE CD1 C 13 128.183 0.5 . 3 . . . . 43 F CD1 . 16944 1
436 . 1 1 43 43 PHE CD2 C 13 127.654 0.5 . 3 . . . . 43 F CD2 . 16944 1
437 . 1 1 43 43 PHE N N 15 117.702 0.5 . 1 . . . . 43 F N . 16944 1
438 . 1 1 44 44 TYR H H 1 9.423 0.3 . 1 . . . . 44 Y HN . 16944 1
439 . 1 1 44 44 TYR HA H 1 5.233 0.3 . 1 . . . . 44 Y HA . 16944 1
440 . 1 1 44 44 TYR HB2 H 1 2.509 0.3 . 2 . . . . 44 Y HB1 . 16944 1
441 . 1 1 44 44 TYR HB3 H 1 2.953 0.3 . 2 . . . . 44 Y HB2 . 16944 1
442 . 1 1 44 44 TYR C C 13 174.776 0.5 . 1 . . . . 44 Y C . 16944 1
443 . 1 1 44 44 TYR CA C 13 56.841 0.5 . 1 . . . . 44 Y CA . 16944 1
444 . 1 1 44 44 TYR CB C 13 40.245 0.5 . 1 . . . . 44 Y CB . 16944 1
445 . 1 1 44 44 TYR N N 15 117.734 0.5 . 1 . . . . 44 Y N . 16944 1
446 . 1 1 45 45 LYS H H 1 8.579 0.3 . 1 . . . . 45 K HN . 16944 1
447 . 1 1 45 45 LYS HA H 1 4.249 0.3 . 1 . . . . 45 K HA . 16944 1
448 . 1 1 45 45 LYS HB2 H 1 1.290 0.3 . 2 . . . . 45 K HB2 . 16944 1
449 . 1 1 45 45 LYS HD2 H 1 1.021 0.3 . 2 . . . . 45 K HD1 . 16944 1
450 . 1 1 45 45 LYS HD3 H 1 1.402 0.3 . 2 . . . . 45 K HD2 . 16944 1
451 . 1 1 45 45 LYS HE2 H 1 2.000 0.3 . 2 . . . . 45 K HE1 . 16944 1
452 . 1 1 45 45 LYS HE3 H 1 2.358 0.3 . 2 . . . . 45 K HE2 . 16944 1
453 . 1 1 45 45 LYS HG2 H 1 0.373 0.3 . 2 . . . . 45 K HG1 . 16944 1
454 . 1 1 45 45 LYS HG3 H 1 0.548 0.3 . 2 . . . . 45 K HG2 . 16944 1
455 . 1 1 45 45 LYS C C 13 175.589 0.5 . 1 . . . . 45 K C . 16944 1
456 . 1 1 45 45 LYS CA C 13 54.582 0.5 . 1 . . . . 45 K CA . 16944 1
457 . 1 1 45 45 LYS CB C 13 34.549 0.5 . 1 . . . . 45 K CB . 16944 1
458 . 1 1 45 45 LYS CD C 13 30.209 0.5 . 1 . . . . 45 K CD . 16944 1
459 . 1 1 45 45 LYS CE C 13 41.491 0.5 . 1 . . . . 45 K CE . 16944 1
460 . 1 1 45 45 LYS CG C 13 25.017 0.5 . 1 . . . . 45 K CG . 16944 1
461 . 1 1 45 45 LYS N N 15 124.864 0.5 . 1 . . . . 45 K N . 16944 1
462 . 1 1 46 46 ILE H H 1 9.141 0.3 . 1 . . . . 46 I HN . 16944 1
463 . 1 1 46 46 ILE HA H 1 5.562 0.3 . 1 . . . . 46 I HA . 16944 1
464 . 1 1 46 46 ILE HB H 1 1.843 0.3 . 1 . . . . 46 I HB . 16944 1
465 . 1 1 46 46 ILE HD11 H 1 0.703 0.3 . 1 . . . . 46 I HD11 . 16944 1
466 . 1 1 46 46 ILE HD12 H 1 0.703 0.3 . 1 . . . . 46 I HD11 . 16944 1
467 . 1 1 46 46 ILE HD13 H 1 0.703 0.3 . 1 . . . . 46 I HD11 . 16944 1
468 . 1 1 46 46 ILE HG12 H 1 0.617 0.3 . 2 . . . . 46 I HG11 . 16944 1
469 . 1 1 46 46 ILE HG13 H 1 1.062 0.3 . 2 . . . . 46 I HG12 . 16944 1
470 . 1 1 46 46 ILE C C 13 172.946 0.5 . 1 . . . . 46 I C . 16944 1
471 . 1 1 46 46 ILE CA C 13 58.135 0.5 . 1 . . . . 46 I CA . 16944 1
472 . 1 1 46 46 ILE CB C 13 42.507 0.5 . 1 . . . . 46 I CB . 16944 1
473 . 1 1 46 46 ILE CD1 C 13 15.348 0.5 . 1 . . . . 46 I CD1 . 16944 1
474 . 1 1 46 46 ILE CG1 C 13 25.223 0.5 . 1 . . . . 46 I CG1 . 16944 1
475 . 1 1 46 46 ILE CG2 C 13 18.086 0.5 . 1 . . . . 46 I CG2 . 16944 1
476 . 1 1 46 46 ILE N N 15 120.352 0.5 . 1 . . . . 46 I N . 16944 1
477 . 1 1 47 47 GLU H H 1 7.689 0.3 . 1 . . . . 47 E HN . 16944 1
478 . 1 1 47 47 GLU HA H 1 4.368 0.3 . 1 . . . . 47 E HA . 16944 1
479 . 1 1 47 47 GLU HB2 H 1 1.982 0.3 . 2 . . . . 47 E HB2 . 16944 1
480 . 1 1 47 47 GLU C C 13 176.568 0.5 . 1 . . . . 47 E C . 16944 1
481 . 1 1 47 47 GLU CA C 13 57.225 0.5 . 1 . . . . 47 E CA . 16944 1
482 . 1 1 47 47 GLU CB C 13 30.153 0.5 . 1 . . . . 47 E CB . 16944 1
483 . 1 1 47 47 GLU N N 15 120.132 0.5 . 1 . . . . 47 E N . 16944 1
484 . 1 1 48 48 TYR H H 1 8.336 0.3 . 1 . . . . 48 Y HN . 16944 1
485 . 1 1 48 48 TYR HA H 1 4.486 0.3 . 1 . . . . 48 Y HA . 16944 1
486 . 1 1 48 48 TYR HB2 H 1 2.237 0.3 . 2 . . . . 48 Y HB1 . 16944 1
487 . 1 1 48 48 TYR HB3 H 1 2.600 0.3 . 2 . . . . 48 Y HB2 . 16944 1
488 . 1 1 48 48 TYR HD1 H 1 6.982 0.3 . 3 . . . . 48 Y HD1 . 16944 1
489 . 1 1 48 48 TYR HE1 H 1 6.667 0.3 . 3 . . . . 48 Y HE1 . 16944 1
490 . 1 1 48 48 TYR HE2 H 1 6.847 0.3 . 3 . . . . 48 Y HE2 . 16944 1
491 . 1 1 48 48 TYR C C 13 173.816 0.5 . 1 . . . . 48 Y C . 16944 1
492 . 1 1 48 48 TYR CA C 13 58.865 0.5 . 1 . . . . 48 Y CA . 16944 1
493 . 1 1 48 48 TYR CB C 13 40.459 0.5 . 1 . . . . 48 Y CB . 16944 1
494 . 1 1 48 48 TYR CD1 C 13 129.499 0.5 . 3 . . . . 48 Y CD1 . 16944 1
495 . 1 1 48 48 TYR CE1 C 13 114.825 0.5 . 3 . . . . 48 Y CE1 . 16944 1
496 . 1 1 48 48 TYR CE2 C 13 115.430 0.5 . 3 . . . . 48 Y CE2 . 16944 1
497 . 1 1 48 48 TYR N N 15 124.531 0.5 . 1 . . . . 48 Y N . 16944 1
498 . 1 1 49 49 LYS H H 1 9.015 0.3 . 1 . . . . 49 K HN . 16944 1
499 . 1 1 49 49 LYS HA H 1 3.517 0.3 . 1 . . . . 49 K HA . 16944 1
500 . 1 1 49 49 LYS HB2 H 1 1.118 0.3 . 2 . . . . 49 K HB1 . 16944 1
501 . 1 1 49 49 LYS HB3 H 1 1.608 0.3 . 2 . . . . 49 K HB2 . 16944 1
502 . 1 1 49 49 LYS HD2 H 1 1.377 0.3 . 2 . . . . 49 K HD2 . 16944 1
503 . 1 1 49 49 LYS HE2 H 1 2.827 0.3 . 2 . . . . 49 K HE2 . 16944 1
504 . 1 1 49 49 LYS HG2 H 1 0.253 0.3 . 2 . . . . 49 K HG1 . 16944 1
505 . 1 1 49 49 LYS HG3 H 1 0.612 0.3 . 2 . . . . 49 K HG2 . 16944 1
506 . 1 1 49 49 LYS C C 13 175.918 0.5 . 1 . . . . 49 K C . 16944 1
507 . 1 1 49 49 LYS CA C 13 57.217 0.5 . 1 . . . . 49 K CA . 16944 1
508 . 1 1 49 49 LYS CB C 13 30.375 0.5 . 1 . . . . 49 K CB . 16944 1
509 . 1 1 49 49 LYS CD C 13 29.336 0.5 . 1 . . . . 49 K CD . 16944 1
510 . 1 1 49 49 LYS CE C 13 42.076 0.5 . 1 . . . . 49 K CE . 16944 1
511 . 1 1 49 49 LYS CG C 13 24.933 0.5 . 1 . . . . 49 K CG . 16944 1
512 . 1 1 49 49 LYS N N 15 128.184 0.5 . 1 . . . . 49 K N . 16944 1
513 . 1 1 50 50 GLY H H 1 8.555 0.3 . 1 . . . . 50 G HN . 16944 1
514 . 1 1 50 50 GLY HA2 H 1 3.588 0.3 . 2 . . . . 50 G HA1 . 16944 1
515 . 1 1 50 50 GLY HA3 H 1 4.029 0.3 . 2 . . . . 50 G HA2 . 16944 1
516 . 1 1 50 50 GLY C C 13 173.819 0.5 . 1 . . . . 50 G C . 16944 1
517 . 1 1 50 50 GLY CA C 13 45.529 0.5 . 1 . . . . 50 G CA . 16944 1
518 . 1 1 50 50 GLY N N 15 106.745 0.5 . 1 . . . . 50 G N . 16944 1
519 . 1 1 51 51 SER H H 1 7.813 0.3 . 1 . . . . 51 S HN . 16944 1
520 . 1 1 51 51 SER HA H 1 4.403 0.3 . 1 . . . . 51 S HA . 16944 1
521 . 1 1 51 51 SER HB2 H 1 3.854 0.3 . 2 . . . . 51 S HB2 . 16944 1
522 . 1 1 51 51 SER C C 13 174.704 0.5 . 1 . . . . 51 S C . 16944 1
523 . 1 1 51 51 SER CA C 13 54.931 0.5 . 1 . . . . 51 S CA . 16944 1
524 . 1 1 51 51 SER N N 15 117.233 0.5 . 1 . . . . 51 S N . 16944 1
525 . 1 1 52 52 HIS H H 1 8.601 0.3 . 1 . . . . 52 H HN . 16944 1
526 . 1 1 52 52 HIS HA H 1 5.792 0.3 . 1 . . . . 52 H HA . 16944 1
527 . 1 1 52 52 HIS HB2 H 1 2.751 0.3 . 2 . . . . 52 H HB2 . 16944 1
528 . 1 1 52 52 HIS HD2 H 1 6.469 0.3 . 1 . . . . 52 H HD2 . 16944 1
529 . 1 1 52 52 HIS C C 13 174.373 0.5 . 1 . . . . 52 H C . 16944 1
530 . 1 1 52 52 HIS CA C 13 55.560 0.5 . 1 . . . . 52 H CA . 16944 1
531 . 1 1 52 52 HIS CB C 13 34.373 0.5 . 1 . . . . 52 H CB . 16944 1
532 . 1 1 52 52 HIS CD2 C 13 115.110 0.5 . 1 . . . . 52 H CD2 . 16944 1
533 . 1 1 52 52 HIS N N 15 121.362 0.5 . 1 . . . . 52 H N . 16944 1
534 . 1 1 53 53 GLY H H 1 8.415 0.3 . 1 . . . . 53 G HN . 16944 1
535 . 1 1 53 53 GLY HA2 H 1 3.278 0.3 . 2 . . . . 53 G HA1 . 16944 1
536 . 1 1 53 53 GLY HA3 H 1 4.383 0.3 . 2 . . . . 53 G HA2 . 16944 1
537 . 1 1 53 53 GLY CA C 13 43.938 0.5 . 1 . . . . 53 G CA . 16944 1
538 . 1 1 53 53 GLY N N 15 106.707 0.5 . 1 . . . . 53 G N . 16944 1
539 . 1 1 54 54 TYR H H 1 8.986 0.3 . 1 . . . . 54 Y HN . 16944 1
540 . 1 1 54 54 TYR HA H 1 5.804 0.3 . 1 . . . . 54 Y HA . 16944 1
541 . 1 1 54 54 TYR HB2 H 1 2.199 0.3 . 2 . . . . 54 Y HB1 . 16944 1
542 . 1 1 54 54 TYR HB3 H 1 2.395 0.3 . 2 . . . . 54 Y HB2 . 16944 1
543 . 1 1 54 54 TYR HD1 H 1 6.576 0.3 . 3 . . . . 54 Y HD1 . 16944 1
544 . 1 1 54 54 TYR HE1 H 1 6.621 0.3 . 3 . . . . 54 Y HE1 . 16944 1
545 . 1 1 54 54 TYR C C 13 175.949 0.5 . 1 . . . . 54 Y C . 16944 1
546 . 1 1 54 54 TYR CA C 13 57.226 0.5 . 1 . . . . 54 Y CA . 16944 1
547 . 1 1 54 54 TYR CB C 13 41.010 0.5 . 1 . . . . 54 Y CB . 16944 1
548 . 1 1 54 54 TYR CD1 C 13 129.134 0.5 . 3 . . . . 54 Y CD1 . 16944 1
549 . 1 1 54 54 TYR CE1 C 13 114.261 0.5 . 3 . . . . 54 Y CE1 . 16944 1
550 . 1 1 54 54 TYR N N 15 117.725 0.5 . 1 . . . . 54 Y N . 16944 1
551 . 1 1 55 55 VAL H H 1 9.043 0.3 . 1 . . . . 55 V HN . 16944 1
552 . 1 1 55 55 VAL HA H 1 5.164 0.3 . 1 . . . . 55 V HA . 16944 1
553 . 1 1 55 55 VAL HB H 1 2.118 0.3 . 1 . . . . 55 V HB . 16944 1
554 . 1 1 55 55 VAL HG11 H 1 0.928 0.3 . 1 . . . . 55 V HG11 . 16944 1
555 . 1 1 55 55 VAL HG12 H 1 0.928 0.3 . 1 . . . . 55 V HG11 . 16944 1
556 . 1 1 55 55 VAL HG13 H 1 0.928 0.3 . 1 . . . . 55 V HG11 . 16944 1
557 . 1 1 55 55 VAL HG21 H 1 0.908 0.3 . 1 . . . . 55 V HG21 . 16944 1
558 . 1 1 55 55 VAL HG22 H 1 0.908 0.3 . 1 . . . . 55 V HG21 . 16944 1
559 . 1 1 55 55 VAL HG23 H 1 0.908 0.3 . 1 . . . . 55 V HG21 . 16944 1
560 . 1 1 55 55 VAL C C 13 174.642 0.5 . 1 . . . . 55 V C . 16944 1
561 . 1 1 55 55 VAL CA C 13 58.009 0.5 . 1 . . . . 55 V CA . 16944 1
562 . 1 1 55 55 VAL CB C 13 36.081 0.5 . 1 . . . . 55 V CB . 16944 1
563 . 1 1 55 55 VAL CG1 C 13 23.659 0.5 . 1 . . . . 55 V CG1 . 16944 1
564 . 1 1 55 55 VAL CG2 C 13 19.897 0.5 . 1 . . . . 55 V CG2 . 16944 1
565 . 1 1 55 55 VAL N N 15 113.371 0.5 . 1 . . . . 55 V N . 16944 1
566 . 1 1 56 56 ALA H H 1 9.090 0.3 . 1 . . . . 56 A HN . 16944 1
567 . 1 1 56 56 ALA HA H 1 3.679 0.3 . 1 . . . . 56 A HA . 16944 1
568 . 1 1 56 56 ALA HB1 H 1 1.355 0.3 . 1 . . . . 56 A HB1 . 16944 1
569 . 1 1 56 56 ALA HB2 H 1 1.355 0.3 . 1 . . . . 56 A HB1 . 16944 1
570 . 1 1 56 56 ALA HB3 H 1 1.355 0.3 . 1 . . . . 56 A HB1 . 16944 1
571 . 1 1 56 56 ALA C C 13 177.507 0.5 . 1 . . . . 56 A C . 16944 1
572 . 1 1 56 56 ALA CA C 13 53.321 0.5 . 1 . . . . 56 A CA . 16944 1
573 . 1 1 56 56 ALA CB C 13 18.431 0.5 . 1 . . . . 56 A CB . 16944 1
574 . 1 1 56 56 ALA N N 15 128.885 0.5 . 1 . . . . 56 A N . 16944 1
575 . 1 1 57 57 LYS H H 1 8.044 0.3 . 1 . . . . 57 K HN . 16944 1
576 . 1 1 57 57 LYS HA H 1 4.279 0.3 . 1 . . . . 57 K HA . 16944 1
577 . 1 1 57 57 LYS HB2 H 1 1.213 0.3 . 2 . . . . 57 K HB2 . 16944 1
578 . 1 1 57 57 LYS HD2 H 1 1.089 0.3 . 2 . . . . 57 K HD2 . 16944 1
579 . 1 1 57 57 LYS HE2 H 1 2.479 0.3 . 2 . . . . 57 K HE2 . 16944 1
580 . 1 1 57 57 LYS HG2 H 1 0.310 0.3 . 2 . . . . 57 K HG1 . 16944 1
581 . 1 1 57 57 LYS HG3 H 1 0.475 0.3 . 2 . . . . 57 K HG2 . 16944 1
582 . 1 1 57 57 LYS C C 13 178.717 0.5 . 1 . . . . 57 K C . 16944 1
583 . 1 1 57 57 LYS CA C 13 59.431 0.5 . 1 . . . . 57 K CA . 16944 1
584 . 1 1 57 57 LYS CB C 13 33.065 0.5 . 1 . . . . 57 K CB . 16944 1
585 . 1 1 57 57 LYS CD C 13 30.100 0.5 . 1 . . . . 57 K CD . 16944 1
586 . 1 1 57 57 LYS CE C 13 41.522 0.5 . 1 . . . . 57 K CE . 16944 1
587 . 1 1 57 57 LYS CG C 13 24.384 0.5 . 1 . . . . 57 K CG . 16944 1
588 . 1 1 57 57 LYS N N 15 121.562 0.5 . 1 . . . . 57 K N . 16944 1
589 . 1 1 58 58 GLU H H 1 8.470 0.3 . 1 . . . . 58 E HN . 16944 1
590 . 1 1 58 58 GLU HA H 1 3.927 0.3 . 1 . . . . 58 E HA . 16944 1
591 . 1 1 58 58 GLU HB2 H 1 1.406 0.3 . 2 . . . . 58 E HB1 . 16944 1
592 . 1 1 58 58 GLU HB3 H 1 1.710 0.3 . 2 . . . . 58 E HB2 . 16944 1
593 . 1 1 58 58 GLU C C 13 176.472 0.5 . 1 . . . . 58 E C . 16944 1
594 . 1 1 58 58 GLU CA C 13 58.112 0.5 . 1 . . . . 58 E CA . 16944 1
595 . 1 1 58 58 GLU CB C 13 28.743 0.5 . 1 . . . . 58 E CB . 16944 1
596 . 1 1 58 58 GLU CG C 13 34.962 0.5 . 1 . . . . 58 E CG . 16944 1
597 . 1 1 58 58 GLU N N 15 114.338 0.5 . 1 . . . . 58 E N . 16944 1
598 . 1 1 59 59 TYR H H 1 7.134 0.3 . 1 . . . . 59 Y HN . 16944 1
599 . 1 1 59 59 TYR HA H 1 4.841 0.3 . 1 . . . . 59 Y HA . 16944 1
600 . 1 1 59 59 TYR HB2 H 1 2.528 0.3 . 2 . . . . 59 Y HB1 . 16944 1
601 . 1 1 59 59 TYR HB3 H 1 3.533 0.3 . 2 . . . . 59 Y HB2 . 16944 1
602 . 1 1 59 59 TYR HD1 H 1 7.121 0.3 . 3 . . . . 59 Y HD1 . 16944 1
603 . 1 1 59 59 TYR HE1 H 1 6.801 0.3 . 3 . . . . 59 Y HE1 . 16944 1
604 . 1 1 59 59 TYR C C 13 172.946 0.5 . 1 . . . . 59 Y C . 16944 1
605 . 1 1 59 59 TYR CA C 13 57.370 0.5 . 1 . . . . 59 Y CA . 16944 1
606 . 1 1 59 59 TYR CB C 13 39.869 0.5 . 1 . . . . 59 Y CB . 16944 1
607 . 1 1 59 59 TYR CD1 C 13 129.700 0.5 . 3 . . . . 59 Y CD1 . 16944 1
608 . 1 1 59 59 TYR CE1 C 13 114.935 0.5 . 3 . . . . 59 Y CE1 . 16944 1
609 . 1 1 59 59 TYR N N 15 116.824 0.5 . 1 . . . . 59 Y N . 16944 1
610 . 1 1 60 60 ILE H H 1 7.695 0.3 . 1 . . . . 60 I HN . 16944 1
611 . 1 1 60 60 ILE HA H 1 4.837 0.3 . 1 . . . . 60 I HA . 16944 1
612 . 1 1 60 60 ILE HB H 1 2.264 0.3 . 1 . . . . 60 I HB . 16944 1
613 . 1 1 60 60 ILE HG12 H 1 1.818 0.3 . 2 . . . . 60 I HG12 . 16944 1
614 . 1 1 60 60 ILE HG21 H 1 0.491 0.3 . 1 . . . . 60 I HG21 . 16944 1
615 . 1 1 60 60 ILE HG22 H 1 0.491 0.3 . 1 . . . . 60 I HG21 . 16944 1
616 . 1 1 60 60 ILE HG23 H 1 0.491 0.3 . 1 . . . . 60 I HG21 . 16944 1
617 . 1 1 60 60 ILE C C 13 175.119 0.5 . 1 . . . . 60 I C . 16944 1
618 . 1 1 60 60 ILE CA C 13 57.106 0.5 . 1 . . . . 60 I CA . 16944 1
619 . 1 1 60 60 ILE CB C 13 37.988 0.5 . 1 . . . . 60 I CB . 16944 1
620 . 1 1 60 60 ILE CG1 C 13 27.142 0.5 . 1 . . . . 60 I CG1 . 16944 1
621 . 1 1 60 60 ILE CG2 C 13 17.822 0.5 . 1 . . . . 60 I CG2 . 16944 1
622 . 1 1 60 60 ILE N N 15 120.223 0.5 . 1 . . . . 60 I N . 16944 1
623 . 1 1 61 61 LEU H H 1 8.899 0.3 . 1 . . . . 61 L HN . 16944 1
624 . 1 1 61 61 LEU HA H 1 4.686 0.3 . 1 . . . . 61 L HA . 16944 1
625 . 1 1 61 61 LEU HB2 H 1 1.568 0.3 . 2 . . . . 61 L HB2 . 16944 1
626 . 1 1 61 61 LEU HD21 H 1 0.827 0.3 . 1 . . . . 61 L HD21 . 16944 1
627 . 1 1 61 61 LEU HD22 H 1 0.827 0.3 . 1 . . . . 61 L HD21 . 16944 1
628 . 1 1 61 61 LEU HD23 H 1 0.827 0.3 . 1 . . . . 61 L HD21 . 16944 1
629 . 1 1 61 61 LEU HG H 1 1.459 0.3 . 1 . . . . 61 L HG . 16944 1
630 . 1 1 61 61 LEU C C 13 176.456 0.5 . 1 . . . . 61 L C . 16944 1
631 . 1 1 61 61 LEU CA C 13 53.094 0.5 . 1 . . . . 61 L CA . 16944 1
632 . 1 1 61 61 LEU CB C 13 43.894 0.5 . 1 . . . . 61 L CB . 16944 1
633 . 1 1 61 61 LEU CD2 C 13 24.193 0.5 . 1 . . . . 61 L CD2 . 16944 1
634 . 1 1 61 61 LEU CG C 13 26.913 0.5 . 1 . . . . 61 L CG . 16944 1
635 . 1 1 61 61 LEU N N 15 128.014 0.5 . 1 . . . . 61 L N . 16944 1
636 . 1 1 62 62 GLU H H 1 8.860 0.3 . 1 . . . . 62 E HN . 16944 1
637 . 1 1 62 62 GLU HA H 1 4.193 0.3 . 1 . . . . 62 E HA . 16944 1
638 . 1 1 62 62 GLU HB2 H 1 1.864 0.3 . 2 . . . . 62 E HB2 . 16944 1
639 . 1 1 62 62 GLU HG2 H 1 1.969 0.3 . 2 . . . . 62 E HG1 . 16944 1
640 . 1 1 62 62 GLU HG3 H 1 2.164 0.3 . 2 . . . . 62 E HG2 . 16944 1
641 . 1 1 62 62 GLU C C 13 175.814 0.5 . 1 . . . . 62 E C . 16944 1
642 . 1 1 62 62 GLU CA C 13 57.077 0.5 . 1 . . . . 62 E CA . 16944 1
643 . 1 1 62 62 GLU CB C 13 30.578 0.5 . 1 . . . . 62 E CB . 16944 1
644 . 1 1 62 62 GLU CG C 13 36.393 0.5 . 1 . . . . 62 E CG . 16944 1
645 . 1 1 62 62 GLU N N 15 125.214 0.5 . 1 . . . . 62 E N . 16944 1
646 . 1 1 63 63 HIS H H 1 8.390 0.3 . 1 . . . . 63 H HN . 16944 1
647 . 1 1 63 63 HIS N N 15 122.646 0.5 . 1 . . . . 63 H N . 16944 1
stop_
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