Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 30088
_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 $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err 0.05
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_Assigned_chem_shift_list.Chem_shift_15N_err 0.4
_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
;
internal consistency of 15N and 13C shifts within collected spectra
1H linewidth estimation
;
_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 (H)NCAH . . . 30088 1
2 (H)CANH . . . 30088 1
3 (H)(CO)CA(CO)NH . . . 30088 1
4 (H)(CA)CB(CA)NH . . . 30088 1
5 (H)N(CA)(CO)NH . . . 30088 1
6 (H)N(CO)(CA)NH . . . 30088 1
7 (H)CCH-TOCSY . . . 30088 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
2 $software_2 . . 30088 1
4 $software_4 . . 30088 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 MET HA H 1 4.125 0.05 . 1 . . . A 1 MET HA . 30088 1
2 . 1 1 1 1 MET HB2 H 1 2.160 0.05 . 1 . . . A 1 MET HB2 . 30088 1
3 . 1 1 1 1 MET HB3 H 1 2.160 0.05 . 1 . . . A 1 MET HB3 . 30088 1
4 . 1 1 1 1 MET HG2 H 1 2.216 0.05 . 1 . . . A 1 MET HG2 . 30088 1
5 . 1 1 1 1 MET HG3 H 1 2.216 0.05 . 1 . . . A 1 MET HG3 . 30088 1
6 . 1 1 1 1 MET HE1 H 1 1.983 0.05 . 1 . . . A 1 MET HE1 . 30088 1
7 . 1 1 1 1 MET HE2 H 1 1.983 0.05 . 1 . . . A 1 MET HE2 . 30088 1
8 . 1 1 1 1 MET HE3 H 1 1.983 0.05 . 1 . . . A 1 MET HE3 . 30088 1
9 . 1 1 1 1 MET C C 13 171.217 0.1 . 1 . . . A 1 MET C . 30088 1
10 . 1 1 1 1 MET CA C 13 54.309 0.1 . 1 . . . A 1 MET CA . 30088 1
11 . 1 1 1 1 MET CB C 13 32.155 0.1 . 1 . . . A 1 MET CB . 30088 1
12 . 1 1 1 1 MET CG C 13 29.965 0.1 . 1 . . . A 1 MET CG . 30088 1
13 . 1 1 1 1 MET CE C 13 15.717 0.1 . 1 . . . A 1 MET CE . 30088 1
14 . 1 1 1 1 MET N N 15 106.349 0.4 . 1 . . . A 1 MET N . 30088 1
15 . 1 1 2 2 GLN H H 1 8.569 0.05 . 1 . . . A 2 GLN H . 30088 1
16 . 1 1 2 2 GLN HA H 1 5.036 0.05 . 1 . . . A 2 GLN HA . 30088 1
17 . 1 1 2 2 GLN HB2 H 1 2.132 0.05 . 2 . . . A 2 GLN HB2 . 30088 1
18 . 1 1 2 2 GLN HB3 H 1 1.934 0.05 . 2 . . . A 2 GLN HB3 . 30088 1
19 . 1 1 2 2 GLN HG2 H 1 2.494 0.05 . 2 . . . A 2 GLN HG2 . 30088 1
20 . 1 1 2 2 GLN HG3 H 1 2.178 0.05 . 2 . . . A 2 GLN HG3 . 30088 1
21 . 1 1 2 2 GLN HE21 H 1 8.104 0.05 . 1 . . . A 2 GLN HE21 . 30088 1
22 . 1 1 2 2 GLN HE22 H 1 7.252 0.05 . 1 . . . A 2 GLN HE22 . 30088 1
23 . 1 1 2 2 GLN C C 13 174.852 0.1 . 1 . . . A 2 GLN C . 30088 1
24 . 1 1 2 2 GLN CA C 13 55.908 0.1 . 1 . . . A 2 GLN CA . 30088 1
25 . 1 1 2 2 GLN CB C 13 30.223 0.1 . 1 . . . A 2 GLN CB . 30088 1
26 . 1 1 2 2 GLN CG C 13 35.298 0.1 . 1 . . . A 2 GLN CG . 30088 1
27 . 1 1 2 2 GLN N N 15 125.843 0.4 . 1 . . . A 2 GLN N . 30088 1
28 . 1 1 2 2 GLN NE2 N 15 114.126 0.4 . 1 . . . A 2 GLN NE2 . 30088 1
29 . 1 1 3 3 TYR H H 1 9.183 0.05 . 1 . . . A 3 TYR H . 30088 1
30 . 1 1 3 3 TYR HA H 1 5.454 0.05 . 1 . . . A 3 TYR HA . 30088 1
31 . 1 1 3 3 TYR HB2 H 1 3.451 0.05 . 2 . . . A 3 TYR HB2 . 30088 1
32 . 1 1 3 3 TYR HB3 H 1 2.839 0.05 . 2 . . . A 3 TYR HB3 . 30088 1
33 . 1 1 3 3 TYR C C 13 174.693 0.1 . 1 . . . A 3 TYR C . 30088 1
34 . 1 1 3 3 TYR CA C 13 57.087 0.1 . 1 . . . A 3 TYR CA . 30088 1
35 . 1 1 3 3 TYR CB C 13 43.392 0.1 . 1 . . . A 3 TYR CB . 30088 1
36 . 1 1 3 3 TYR N N 15 123.966 0.4 . 1 . . . A 3 TYR N . 30088 1
37 . 1 1 4 4 LYS H H 1 9.334 0.05 . 1 . . . A 4 LYS H . 30088 1
38 . 1 1 4 4 LYS HA H 1 5.412 0.05 . 1 . . . A 4 LYS HA . 30088 1
39 . 1 1 4 4 LYS HB2 H 1 2.156 0.05 . 2 . . . A 4 LYS HB2 . 30088 1
40 . 1 1 4 4 LYS HB3 H 1 1.997 0.05 . 2 . . . A 4 LYS HB3 . 30088 1
41 . 1 1 4 4 LYS HG2 H 1 1.542 0.05 . 1 . . . A 4 LYS HG2 . 30088 1
42 . 1 1 4 4 LYS HG3 H 1 1.542 0.05 . 1 . . . A 4 LYS HG3 . 30088 1
43 . 1 1 4 4 LYS HD2 H 1 1.844 0.05 . 2 . . . A 4 LYS HD2 . 30088 1
44 . 1 1 4 4 LYS HD3 H 1 1.744 0.05 . 2 . . . A 4 LYS HD3 . 30088 1
45 . 1 1 4 4 LYS HE2 H 1 2.995 0.05 . 2 . . . A 4 LYS HE2 . 30088 1
46 . 1 1 4 4 LYS HE3 H 1 2.870 0.05 . 2 . . . A 4 LYS HE3 . 30088 1
47 . 1 1 4 4 LYS C C 13 173.065 0.1 . 1 . . . A 4 LYS C . 30088 1
48 . 1 1 4 4 LYS CA C 13 54.912 0.1 . 1 . . . A 4 LYS CA . 30088 1
49 . 1 1 4 4 LYS CB C 13 36.162 0.1 . 1 . . . A 4 LYS CB . 30088 1
50 . 1 1 4 4 LYS CG C 13 25.556 0.1 . 1 . . . A 4 LYS CG . 30088 1
51 . 1 1 4 4 LYS CD C 13 28.858 0.1 . 1 . . . A 4 LYS CD . 30088 1
52 . 1 1 4 4 LYS CE C 13 42.008 0.1 . 1 . . . A 4 LYS CE . 30088 1
53 . 1 1 4 4 LYS N N 15 123.295 0.4 . 1 . . . A 4 LYS N . 30088 1
54 . 1 1 4 4 LYS NZ N 15 33.484 0.4 . 1 . . . A 4 LYS NZ . 30088 1
55 . 1 1 5 5 LEU H H 1 9.297 0.05 . 1 . . . A 5 LEU H . 30088 1
56 . 1 1 5 5 LEU HA H 1 5.012 0.05 . 1 . . . A 5 LEU HA . 30088 1
57 . 1 1 5 5 LEU HB2 H 1 1.219 0.05 . 2 . . . A 5 LEU HB2 . 30088 1
58 . 1 1 5 5 LEU HB3 H 1 -0.944 0.05 . 2 . . . A 5 LEU HB3 . 30088 1
59 . 1 1 5 5 LEU HG H 1 1.056 0.05 . 1 . . . A 5 LEU HG . 30088 1
60 . 1 1 5 5 LEU HD11 H 1 0.712 0.05 . 2 . . . A 5 LEU HD11 . 30088 1
61 . 1 1 5 5 LEU HD12 H 1 0.712 0.05 . 2 . . . A 5 LEU HD12 . 30088 1
62 . 1 1 5 5 LEU HD13 H 1 0.712 0.05 . 2 . . . A 5 LEU HD13 . 30088 1
63 . 1 1 5 5 LEU HD21 H 1 0.700 0.05 . 2 . . . A 5 LEU HD21 . 30088 1
64 . 1 1 5 5 LEU HD22 H 1 0.700 0.05 . 2 . . . A 5 LEU HD22 . 30088 1
65 . 1 1 5 5 LEU HD23 H 1 0.700 0.05 . 2 . . . A 5 LEU HD23 . 30088 1
66 . 1 1 5 5 LEU C C 13 174.697 0.1 . 1 . . . A 5 LEU C . 30088 1
67 . 1 1 5 5 LEU CA C 13 52.984 0.1 . 1 . . . A 5 LEU CA . 30088 1
68 . 1 1 5 5 LEU CB C 13 42.400 0.1 . 1 . . . A 5 LEU CB . 30088 1
69 . 1 1 5 5 LEU CG C 13 27.235 0.1 . 1 . . . A 5 LEU CG . 30088 1
70 . 1 1 5 5 LEU CD1 C 13 25.734 0.1 . 2 . . . A 5 LEU CD1 . 30088 1
71 . 1 1 5 5 LEU CD2 C 13 25.057 0.1 . 2 . . . A 5 LEU CD2 . 30088 1
72 . 1 1 5 5 LEU N N 15 127.500 0.4 . 1 . . . A 5 LEU N . 30088 1
73 . 1 1 6 6 ILE H H 1 9.084 0.05 . 1 . . . A 6 ILE H . 30088 1
74 . 1 1 6 6 ILE HA H 1 4.733 0.05 . 1 . . . A 6 ILE HA . 30088 1
75 . 1 1 6 6 ILE HB H 1 2.053 0.05 . 1 . . . A 6 ILE HB . 30088 1
76 . 1 1 6 6 ILE HG12 H 1 1.679 0.05 . 2 . . . A 6 ILE HG12 . 30088 1
77 . 1 1 6 6 ILE HG13 H 1 1.425 0.05 . 2 . . . A 6 ILE HG13 . 30088 1
78 . 1 1 6 6 ILE HG21 H 1 1.025 0.05 . 1 . . . A 6 ILE HG21 . 30088 1
79 . 1 1 6 6 ILE HG22 H 1 1.025 0.05 . 1 . . . A 6 ILE HG22 . 30088 1
80 . 1 1 6 6 ILE HG23 H 1 1.025 0.05 . 1 . . . A 6 ILE HG23 . 30088 1
81 . 1 1 6 6 ILE HD11 H 1 0.989 0.05 . 1 . . . A 6 ILE HD11 . 30088 1
82 . 1 1 6 6 ILE HD12 H 1 0.989 0.05 . 1 . . . A 6 ILE HD12 . 30088 1
83 . 1 1 6 6 ILE HD13 H 1 0.989 0.05 . 1 . . . A 6 ILE HD13 . 30088 1
84 . 1 1 6 6 ILE C C 13 175.037 0.1 . 1 . . . A 6 ILE C . 30088 1
85 . 1 1 6 6 ILE CA C 13 59.993 0.1 . 1 . . . A 6 ILE CA . 30088 1
86 . 1 1 6 6 ILE CB C 13 37.745 0.1 . 1 . . . A 6 ILE CB . 30088 1
87 . 1 1 6 6 ILE CG1 C 13 27.323 0.1 . 1 . . . A 6 ILE CG1 . 30088 1
88 . 1 1 6 6 ILE CG2 C 13 17.576 0.1 . 1 . . . A 6 ILE CG2 . 30088 1
89 . 1 1 6 6 ILE CD1 C 13 12.560 0.1 . 1 . . . A 6 ILE CD1 . 30088 1
90 . 1 1 6 6 ILE N N 15 126.454 0.4 . 1 . . . A 6 ILE N . 30088 1
91 . 1 1 7 7 LEU H H 1 9.365 0.05 . 1 . . . A 7 LEU H . 30088 1
92 . 1 1 7 7 LEU HA H 1 4.493 0.05 . 1 . . . A 7 LEU HA . 30088 1
93 . 1 1 7 7 LEU HB2 H 1 1.831 0.05 . 2 . . . A 7 LEU HB2 . 30088 1
94 . 1 1 7 7 LEU HB3 H 1 1.405 0.05 . 2 . . . A 7 LEU HB3 . 30088 1
95 . 1 1 7 7 LEU HG H 1 1.440 0.05 . 1 . . . A 7 LEU HG . 30088 1
96 . 1 1 7 7 LEU HD11 H 1 0.855 0.05 . 2 . . . A 7 LEU HD11 . 30088 1
97 . 1 1 7 7 LEU HD12 H 1 0.855 0.05 . 2 . . . A 7 LEU HD12 . 30088 1
98 . 1 1 7 7 LEU HD13 H 1 0.855 0.05 . 2 . . . A 7 LEU HD13 . 30088 1
99 . 1 1 7 7 LEU HD21 H 1 0.876 0.05 . 2 . . . A 7 LEU HD21 . 30088 1
100 . 1 1 7 7 LEU HD22 H 1 0.876 0.05 . 2 . . . A 7 LEU HD22 . 30088 1
101 . 1 1 7 7 LEU HD23 H 1 0.876 0.05 . 2 . . . A 7 LEU HD23 . 30088 1
102 . 1 1 7 7 LEU C C 13 174.894 0.1 . 1 . . . A 7 LEU C . 30088 1
103 . 1 1 7 7 LEU CA C 13 54.761 0.1 . 1 . . . A 7 LEU CA . 30088 1
104 . 1 1 7 7 LEU CB C 13 42.917 0.1 . 1 . . . A 7 LEU CB . 30088 1
105 . 1 1 7 7 LEU CG C 13 26.971 0.1 . 1 . . . A 7 LEU CG . 30088 1
106 . 1 1 7 7 LEU CD1 C 13 26.063 0.1 . 2 . . . A 7 LEU CD1 . 30088 1
107 . 1 1 7 7 LEU CD2 C 13 24.964 0.1 . 2 . . . A 7 LEU CD2 . 30088 1
108 . 1 1 7 7 LEU N N 15 127.325 0.4 . 1 . . . A 7 LEU N . 30088 1
109 . 1 1 8 8 ASN H H 1 9.133 0.05 . 1 . . . A 8 ASN H . 30088 1
110 . 1 1 8 8 ASN HA H 1 5.531 0.05 . 1 . . . A 8 ASN HA . 30088 1
111 . 1 1 8 8 ASN HB2 H 1 3.387 0.05 . 2 . . . A 8 ASN HB2 . 30088 1
112 . 1 1 8 8 ASN HB3 H 1 2.478 0.05 . 2 . . . A 8 ASN HB3 . 30088 1
113 . 1 1 8 8 ASN HD21 H 1 7.829 0.05 . 1 . . . A 8 ASN HD21 . 30088 1
114 . 1 1 8 8 ASN HD22 H 1 7.049 0.05 . 1 . . . A 8 ASN HD22 . 30088 1
115 . 1 1 8 8 ASN C C 13 176.335 0.1 . 1 . . . A 8 ASN C . 30088 1
116 . 1 1 8 8 ASN CA C 13 50.695 0.1 . 1 . . . A 8 ASN CA . 30088 1
117 . 1 1 8 8 ASN CB C 13 38.278 0.1 . 1 . . . A 8 ASN CB . 30088 1
118 . 1 1 8 8 ASN N N 15 125.205 0.4 . 1 . . . A 8 ASN N . 30088 1
119 . 1 1 8 8 ASN ND2 N 15 110.882 0.4 . 1 . . . A 8 ASN ND2 . 30088 1
120 . 1 1 9 9 GLY H H 1 8.359 0.05 . 1 . . . A 9 GLY H . 30088 1
121 . 1 1 9 9 GLY HA2 H 1 4.166 0.05 . 2 . . . A 9 GLY HA2 . 30088 1
122 . 1 1 9 9 GLY HA3 H 1 4.477 0.05 . 2 . . . A 9 GLY HA3 . 30088 1
123 . 1 1 9 9 GLY C C 13 172.931 0.1 . 1 . . . A 9 GLY C . 30088 1
124 . 1 1 9 9 GLY CA C 13 44.670 0.1 . 1 . . . A 9 GLY CA . 30088 1
125 . 1 1 9 9 GLY N N 15 110.043 0.4 . 1 . . . A 9 GLY N . 30088 1
126 . 1 1 10 10 LYS H H 1 10.086 0.05 . 1 . . . A 10 LYS H . 30088 1
127 . 1 1 10 10 LYS HA H 1 4.210 0.05 . 1 . . . A 10 LYS HA . 30088 1
128 . 1 1 10 10 LYS HB2 H 1 2.021 0.05 . 1 . . . A 10 LYS HB2 . 30088 1
129 . 1 1 10 10 LYS HB3 H 1 2.021 0.05 . 1 . . . A 10 LYS HB3 . 30088 1
130 . 1 1 10 10 LYS HG2 H 1 1.638 0.05 . 1 . . . A 10 LYS HG2 . 30088 1
131 . 1 1 10 10 LYS HG3 H 1 1.638 0.05 . 1 . . . A 10 LYS HG3 . 30088 1
132 . 1 1 10 10 LYS HD2 H 1 1.864 0.05 . 1 . . . A 10 LYS HD2 . 30088 1
133 . 1 1 10 10 LYS HD3 H 1 1.864 0.05 . 1 . . . A 10 LYS HD3 . 30088 1
134 . 1 1 10 10 LYS HE2 H 1 3.147 0.05 . 2 . . . A 10 LYS HE2 . 30088 1
135 . 1 1 10 10 LYS HE3 H 1 2.974 0.05 . 2 . . . A 10 LYS HE3 . 30088 1
136 . 1 1 10 10 LYS C C 13 178.981 0.1 . 1 . . . A 10 LYS C . 30088 1
137 . 1 1 10 10 LYS CA C 13 59.323 0.1 . 1 . . . A 10 LYS CA . 30088 1
138 . 1 1 10 10 LYS CB C 13 32.687 0.1 . 1 . . . A 10 LYS CB . 30088 1
139 . 1 1 10 10 LYS CG C 13 25.613 0.1 . 1 . . . A 10 LYS CG . 30088 1
140 . 1 1 10 10 LYS CD C 13 29.102 0.1 . 1 . . . A 10 LYS CD . 30088 1
141 . 1 1 10 10 LYS CE C 13 42.084 0.1 . 1 . . . A 10 LYS CE . 30088 1
142 . 1 1 10 10 LYS N N 15 121.363 0.4 . 1 . . . A 10 LYS N . 30088 1
143 . 1 1 11 11 THR H H 1 9.124 0.05 . 1 . . . A 11 THR H . 30088 1
144 . 1 1 11 11 THR HA H 1 4.611 0.05 . 1 . . . A 11 THR HA . 30088 1
145 . 1 1 11 11 THR HB H 1 4.321 0.05 . 1 . . . A 11 THR HB . 30088 1
146 . 1 1 11 11 THR HG21 H 1 1.282 0.05 . 1 . . . A 11 THR HG21 . 30088 1
147 . 1 1 11 11 THR HG22 H 1 1.282 0.05 . 1 . . . A 11 THR HG22 . 30088 1
148 . 1 1 11 11 THR HG23 H 1 1.282 0.05 . 1 . . . A 11 THR HG23 . 30088 1
149 . 1 1 11 11 THR C C 13 173.305 0.1 . 1 . . . A 11 THR C . 30088 1
150 . 1 1 11 11 THR CA C 13 62.042 0.1 . 1 . . . A 11 THR CA . 30088 1
151 . 1 1 11 11 THR CB C 13 69.293 0.1 . 1 . . . A 11 THR CB . 30088 1
152 . 1 1 11 11 THR CG2 C 13 22.418 0.1 . 1 . . . A 11 THR CG2 . 30088 1
153 . 1 1 11 11 THR N N 15 106.517 0.4 . 1 . . . A 11 THR N . 30088 1
154 . 1 1 12 12 LEU H H 1 7.567 0.05 . 1 . . . A 12 LEU H . 30088 1
155 . 1 1 12 12 LEU HA H 1 5.451 0.05 . 1 . . . A 12 LEU HA . 30088 1
156 . 1 1 12 12 LEU HB2 H 1 1.838 0.05 . 2 . . . A 12 LEU HB2 . 30088 1
157 . 1 1 12 12 LEU HB3 H 1 1.403 0.05 . 2 . . . A 12 LEU HB3 . 30088 1
158 . 1 1 12 12 LEU HG H 1 1.443 0.05 . 1 . . . A 12 LEU HG . 30088 1
159 . 1 1 12 12 LEU HD11 H 1 0.834 0.05 . 2 . . . A 12 LEU HD11 . 30088 1
160 . 1 1 12 12 LEU HD12 H 1 0.834 0.05 . 2 . . . A 12 LEU HD12 . 30088 1
161 . 1 1 12 12 LEU HD13 H 1 0.834 0.05 . 2 . . . A 12 LEU HD13 . 30088 1
162 . 1 1 12 12 LEU HD21 H 1 0.966 0.05 . 2 . . . A 12 LEU HD21 . 30088 1
163 . 1 1 12 12 LEU HD22 H 1 0.966 0.05 . 2 . . . A 12 LEU HD22 . 30088 1
164 . 1 1 12 12 LEU HD23 H 1 0.966 0.05 . 2 . . . A 12 LEU HD23 . 30088 1
165 . 1 1 12 12 LEU C C 13 173.626 0.1 . 1 . . . A 12 LEU C . 30088 1
166 . 1 1 12 12 LEU CA C 13 54.534 0.1 . 1 . . . A 12 LEU CA . 30088 1
167 . 1 1 12 12 LEU CB C 13 42.844 0.1 . 1 . . . A 12 LEU CB . 30088 1
168 . 1 1 12 12 LEU CG C 13 27.834 0.1 . 1 . . . A 12 LEU CG . 30088 1
169 . 1 1 12 12 LEU CD1 C 13 25.965 0.1 . 2 . . . A 12 LEU CD1 . 30088 1
170 . 1 1 12 12 LEU CD2 C 13 22.912 0.1 . 2 . . . A 12 LEU CD2 . 30088 1
171 . 1 1 12 12 LEU N N 15 128.400 0.4 . 1 . . . A 12 LEU N . 30088 1
172 . 1 1 13 13 LYS H H 1 8.977 0.05 . 1 . . . A 13 LYS H . 30088 1
173 . 1 1 13 13 LYS HA H 1 5.216 0.05 . 1 . . . A 13 LYS HA . 30088 1
174 . 1 1 13 13 LYS HB2 H 1 2.220 0.05 . 2 . . . A 13 LYS HB2 . 30088 1
175 . 1 1 13 13 LYS HB3 H 1 1.815 0.05 . 2 . . . A 13 LYS HB3 . 30088 1
176 . 1 1 13 13 LYS HG2 H 1 1.540 0.05 . 2 . . . A 13 LYS HG2 . 30088 1
177 . 1 1 13 13 LYS HG3 H 1 1.768 0.05 . 2 . . . A 13 LYS HG3 . 30088 1
178 . 1 1 13 13 LYS HD2 H 1 1.804 0.05 . 2 . . . A 13 LYS HD2 . 30088 1
179 . 1 1 13 13 LYS HD3 H 1 1.970 0.05 . 2 . . . A 13 LYS HD3 . 30088 1
180 . 1 1 13 13 LYS HE2 H 1 3.287 0.05 . 2 . . . A 13 LYS HE2 . 30088 1
181 . 1 1 13 13 LYS HE3 H 1 3.097 0.05 . 2 . . . A 13 LYS HE3 . 30088 1
182 . 1 1 13 13 LYS C C 13 175.551 0.1 . 1 . . . A 13 LYS C . 30088 1
183 . 1 1 13 13 LYS CA C 13 53.422 0.1 . 1 . . . A 13 LYS CA . 30088 1
184 . 1 1 13 13 LYS CB C 13 39.007 0.1 . 1 . . . A 13 LYS CB . 30088 1
185 . 1 1 13 13 LYS CG C 13 26.151 0.1 . 1 . . . A 13 LYS CG . 30088 1
186 . 1 1 13 13 LYS CD C 13 29.753 0.1 . 1 . . . A 13 LYS CD . 30088 1
187 . 1 1 13 13 LYS CE C 13 42.968 0.1 . 1 . . . A 13 LYS CE . 30088 1
188 . 1 1 13 13 LYS N N 15 123.763 0.4 . 1 . . . A 13 LYS N . 30088 1
189 . 1 1 14 14 GLY H H 1 8.667 0.05 . 1 . . . A 14 GLY H . 30088 1
190 . 1 1 14 14 GLY HA2 H 1 3.822 0.05 . 2 . . . A 14 GLY HA2 . 30088 1
191 . 1 1 14 14 GLY HA3 H 1 5.484 0.05 . 2 . . . A 14 GLY HA3 . 30088 1
192 . 1 1 14 14 GLY C C 13 171.163 0.1 . 1 . . . A 14 GLY C . 30088 1
193 . 1 1 14 14 GLY CA C 13 44.873 0.1 . 1 . . . A 14 GLY CA . 30088 1
194 . 1 1 14 14 GLY N N 15 105.880 0.4 . 1 . . . A 14 GLY N . 30088 1
195 . 1 1 15 15 GLU H H 1 9.011 0.05 . 1 . . . A 15 GLU H . 30088 1
196 . 1 1 15 15 GLU HA H 1 5.832 0.05 . 1 . . . A 15 GLU HA . 30088 1
197 . 1 1 15 15 GLU HB2 H 1 2.142 0.05 . 1 . . . A 15 GLU HB2 . 30088 1
198 . 1 1 15 15 GLU HB3 H 1 2.142 0.05 . 1 . . . A 15 GLU HB3 . 30088 1
199 . 1 1 15 15 GLU HG2 H 1 2.486 0.05 . 1 . . . A 15 GLU HG2 . 30088 1
200 . 1 1 15 15 GLU HG3 H 1 2.486 0.05 . 1 . . . A 15 GLU HG3 . 30088 1
201 . 1 1 15 15 GLU C C 13 174.058 0.1 . 1 . . . A 15 GLU C . 30088 1
202 . 1 1 15 15 GLU CA C 13 53.943 0.1 . 1 . . . A 15 GLU CA . 30088 1
203 . 1 1 15 15 GLU CB C 13 34.166 0.1 . 1 . . . A 15 GLU CB . 30088 1
204 . 1 1 15 15 GLU CG C 13 35.486 0.1 . 1 . . . A 15 GLU CG . 30088 1
205 . 1 1 15 15 GLU N N 15 121.404 0.4 . 1 . . . A 15 GLU N . 30088 1
206 . 1 1 16 16 THR H H 1 8.995 0.05 . 1 . . . A 16 THR H . 30088 1
207 . 1 1 16 16 THR HA H 1 4.779 0.05 . 1 . . . A 16 THR HA . 30088 1
208 . 1 1 16 16 THR HB H 1 3.955 0.05 . 1 . . . A 16 THR HB . 30088 1
209 . 1 1 16 16 THR HG21 H 1 0.970 0.05 . 1 . . . A 16 THR HG21 . 30088 1
210 . 1 1 16 16 THR HG22 H 1 0.970 0.05 . 1 . . . A 16 THR HG22 . 30088 1
211 . 1 1 16 16 THR HG23 H 1 0.970 0.05 . 1 . . . A 16 THR HG23 . 30088 1
212 . 1 1 16 16 THR C C 13 171.666 0.1 . 1 . . . A 16 THR C . 30088 1
213 . 1 1 16 16 THR CA C 13 60.185 0.1 . 1 . . . A 16 THR CA . 30088 1
214 . 1 1 16 16 THR CB C 13 70.438 0.1 . 1 . . . A 16 THR CB . 30088 1
215 . 1 1 16 16 THR CG2 C 13 19.963 0.1 . 1 . . . A 16 THR CG2 . 30088 1
216 . 1 1 16 16 THR N N 15 115.207 0.4 . 1 . . . A 16 THR N . 30088 1
217 . 1 1 17 17 THR H H 1 8.476 0.05 . 1 . . . A 17 THR H . 30088 1
218 . 1 1 17 17 THR HA H 1 5.924 0.05 . 1 . . . A 17 THR HA . 30088 1
219 . 1 1 17 17 THR HB H 1 4.278 0.05 . 1 . . . A 17 THR HB . 30088 1
220 . 1 1 17 17 THR HG21 H 1 1.299 0.05 . 1 . . . A 17 THR HG21 . 30088 1
221 . 1 1 17 17 THR HG22 H 1 1.299 0.05 . 1 . . . A 17 THR HG22 . 30088 1
222 . 1 1 17 17 THR HG23 H 1 1.299 0.05 . 1 . . . A 17 THR HG23 . 30088 1
223 . 1 1 17 17 THR C C 13 173.996 0.1 . 1 . . . A 17 THR C . 30088 1
224 . 1 1 17 17 THR CA C 13 60.299 0.1 . 1 . . . A 17 THR CA . 30088 1
225 . 1 1 17 17 THR CB C 13 72.547 0.1 . 1 . . . A 17 THR CB . 30088 1
226 . 1 1 17 17 THR CG2 C 13 21.634 0.1 . 1 . . . A 17 THR CG2 . 30088 1
227 . 1 1 17 17 THR N N 15 116.739 0.4 . 1 . . . A 17 THR N . 30088 1
228 . 1 1 18 18 THR H H 1 9.304 0.05 . 1 . . . A 18 THR H . 30088 1
229 . 1 1 18 18 THR HA H 1 4.836 0.05 . 1 . . . A 18 THR HA . 30088 1
230 . 1 1 18 18 THR HB H 1 3.876 0.05 . 1 . . . A 18 THR HB . 30088 1
231 . 1 1 18 18 THR HG21 H 1 0.607 0.05 . 1 . . . A 18 THR HG21 . 30088 1
232 . 1 1 18 18 THR HG22 H 1 0.607 0.05 . 1 . . . A 18 THR HG22 . 30088 1
233 . 1 1 18 18 THR HG23 H 1 0.607 0.05 . 1 . . . A 18 THR HG23 . 30088 1
234 . 1 1 18 18 THR C C 13 170.874 0.1 . 1 . . . A 18 THR C . 30088 1
235 . 1 1 18 18 THR CA C 13 61.444 0.1 . 1 . . . A 18 THR CA . 30088 1
236 . 1 1 18 18 THR CB C 13 70.998 0.1 . 1 . . . A 18 THR CB . 30088 1
237 . 1 1 18 18 THR CG2 C 13 18.727 0.1 . 1 . . . A 18 THR CG2 . 30088 1
238 . 1 1 18 18 THR N N 15 116.544 0.4 . 1 . . . A 18 THR N . 30088 1
239 . 1 1 19 19 GLU H H 1 7.956 0.05 . 1 . . . A 19 GLU H . 30088 1
240 . 1 1 19 19 GLU HA H 1 5.257 0.05 . 1 . . . A 19 GLU HA . 30088 1
241 . 1 1 19 19 GLU C C 13 175.589 0.1 . 1 . . . A 19 GLU C . 30088 1
242 . 1 1 19 19 GLU CA C 13 54.271 0.1 . 1 . . . A 19 GLU CA . 30088 1
243 . 1 1 19 19 GLU N N 15 126.049 0.4 . 1 . . . A 19 GLU N . 30088 1
244 . 1 1 20 20 ALA H H 1 9.575 0.05 . 1 . . . A 20 ALA H . 30088 1
245 . 1 1 20 20 ALA HA H 1 5.059 0.05 . 1 . . . A 20 ALA HA . 30088 1
246 . 1 1 20 20 ALA HB1 H 1 1.459 0.05 . 1 . . . A 20 ALA HB1 . 30088 1
247 . 1 1 20 20 ALA HB2 H 1 1.459 0.05 . 1 . . . A 20 ALA HB2 . 30088 1
248 . 1 1 20 20 ALA HB3 H 1 1.459 0.05 . 1 . . . A 20 ALA HB3 . 30088 1
249 . 1 1 20 20 ALA C C 13 177.589 0.1 . 1 . . . A 20 ALA C . 30088 1
250 . 1 1 20 20 ALA CA C 13 50.719 0.1 . 1 . . . A 20 ALA CA . 30088 1
251 . 1 1 20 20 ALA CB C 13 23.643 0.1 . 1 . . . A 20 ALA CB . 30088 1
252 . 1 1 20 20 ALA N N 15 126.302 0.4 . 1 . . . A 20 ALA N . 30088 1
253 . 1 1 21 21 VAL H H 1 8.824 0.05 . 1 . . . A 21 VAL H . 30088 1
254 . 1 1 21 21 VAL HA H 1 4.114 0.05 . 1 . . . A 21 VAL HA . 30088 1
255 . 1 1 21 21 VAL HB H 1 2.527 0.05 . 1 . . . A 21 VAL HB . 30088 1
256 . 1 1 21 21 VAL HG11 H 1 1.311 0.05 . 2 . . . A 21 VAL HG11 . 30088 1
257 . 1 1 21 21 VAL HG12 H 1 1.311 0.05 . 2 . . . A 21 VAL HG12 . 30088 1
258 . 1 1 21 21 VAL HG13 H 1 1.311 0.05 . 2 . . . A 21 VAL HG13 . 30088 1
259 . 1 1 21 21 VAL HG21 H 1 1.209 0.05 . 2 . . . A 21 VAL HG21 . 30088 1
260 . 1 1 21 21 VAL HG22 H 1 1.209 0.05 . 2 . . . A 21 VAL HG22 . 30088 1
261 . 1 1 21 21 VAL HG23 H 1 1.209 0.05 . 2 . . . A 21 VAL HG23 . 30088 1
262 . 1 1 21 21 VAL C C 13 174.917 0.1 . 1 . . . A 21 VAL C . 30088 1
263 . 1 1 21 21 VAL CA C 13 63.643 0.1 . 1 . . . A 21 VAL CA . 30088 1
264 . 1 1 21 21 VAL CB C 13 31.994 0.1 . 1 . . . A 21 VAL CB . 30088 1
265 . 1 1 21 21 VAL CG1 C 13 21.566 0.1 . 2 . . . A 21 VAL CG1 . 30088 1
266 . 1 1 21 21 VAL CG2 C 13 19.897 0.1 . 2 . . . A 21 VAL CG2 . 30088 1
267 . 1 1 21 21 VAL N N 15 115.969 0.4 . 1 . . . A 21 VAL N . 30088 1
268 . 1 1 22 22 ASP H H 1 7.408 0.05 . 1 . . . A 22 ASP H . 30088 1
269 . 1 1 22 22 ASP HA H 1 4.951 0.05 . 1 . . . A 22 ASP HA . 30088 1
270 . 1 1 22 22 ASP HB2 H 1 3.324 0.05 . 2 . . . A 22 ASP HB2 . 30088 1
271 . 1 1 22 22 ASP HB3 H 1 3.214 0.05 . 2 . . . A 22 ASP HB3 . 30088 1
272 . 1 1 22 22 ASP C C 13 175.028 0.1 . 1 . . . A 22 ASP C . 30088 1
273 . 1 1 22 22 ASP CA C 13 52.511 0.1 . 1 . . . A 22 ASP CA . 30088 1
274 . 1 1 22 22 ASP CB C 13 42.494 0.1 . 1 . . . A 22 ASP CB . 30088 1
275 . 1 1 22 22 ASP N N 15 115.525 0.4 . 1 . . . A 22 ASP N . 30088 1
276 . 1 1 23 23 ALA H H 1 9.422 0.05 . 1 . . . A 23 ALA H . 30088 1
277 . 1 1 23 23 ALA HA H 1 3.375 0.05 . 1 . . . A 23 ALA HA . 30088 1
278 . 1 1 23 23 ALA HB1 H 1 1.533 0.05 . 1 . . . A 23 ALA HB1 . 30088 1
279 . 1 1 23 23 ALA HB2 H 1 1.533 0.05 . 1 . . . A 23 ALA HB2 . 30088 1
280 . 1 1 23 23 ALA HB3 H 1 1.533 0.05 . 1 . . . A 23 ALA HB3 . 30088 1
281 . 1 1 23 23 ALA C C 13 179.736 0.1 . 1 . . . A 23 ALA C . 30088 1
282 . 1 1 23 23 ALA CA C 13 54.581 0.1 . 1 . . . A 23 ALA CA . 30088 1
283 . 1 1 23 23 ALA CB C 13 18.301 0.1 . 1 . . . A 23 ALA CB . 30088 1
284 . 1 1 23 23 ALA N N 15 123.421 0.4 . 1 . . . A 23 ALA N . 30088 1
285 . 1 1 24 24 ALA H H 1 8.294 0.05 . 1 . . . A 24 ALA H . 30088 1
286 . 1 1 24 24 ALA HA H 1 4.224 0.05 . 1 . . . A 24 ALA HA . 30088 1
287 . 1 1 24 24 ALA HB1 H 1 1.483 0.05 . 1 . . . A 24 ALA HB1 . 30088 1
288 . 1 1 24 24 ALA HB2 H 1 1.483 0.05 . 1 . . . A 24 ALA HB2 . 30088 1
289 . 1 1 24 24 ALA HB3 H 1 1.483 0.05 . 1 . . . A 24 ALA HB3 . 30088 1
290 . 1 1 24 24 ALA C C 13 181.361 0.1 . 1 . . . A 24 ALA C . 30088 1
291 . 1 1 24 24 ALA CA C 13 54.573 0.1 . 1 . . . A 24 ALA CA . 30088 1
292 . 1 1 24 24 ALA CB C 13 18.115 0.1 . 1 . . . A 24 ALA CB . 30088 1
293 . 1 1 24 24 ALA N N 15 121.052 0.4 . 1 . . . A 24 ALA N . 30088 1
294 . 1 1 25 25 THR H H 1 8.582 0.05 . 1 . . . A 25 THR H . 30088 1
295 . 1 1 25 25 THR HA H 1 3.841 0.05 . 1 . . . A 25 THR HA . 30088 1
296 . 1 1 25 25 THR HB H 1 4.218 0.05 . 1 . . . A 25 THR HB . 30088 1
297 . 1 1 25 25 THR HG21 H 1 1.387 0.05 . 1 . . . A 25 THR HG21 . 30088 1
298 . 1 1 25 25 THR HG22 H 1 1.387 0.05 . 1 . . . A 25 THR HG22 . 30088 1
299 . 1 1 25 25 THR HG23 H 1 1.387 0.05 . 1 . . . A 25 THR HG23 . 30088 1
300 . 1 1 25 25 THR C C 13 175.607 0.1 . 1 . . . A 25 THR C . 30088 1
301 . 1 1 25 25 THR CA C 13 67.640 0.1 . 1 . . . A 25 THR CA . 30088 1
302 . 1 1 25 25 THR CB C 13 67.707 0.1 . 1 . . . A 25 THR CB . 30088 1
303 . 1 1 25 25 THR CG2 C 13 21.338 0.1 . 1 . . . A 25 THR CG2 . 30088 1
304 . 1 1 25 25 THR N N 15 117.731 0.4 . 1 . . . A 25 THR N . 30088 1
305 . 1 1 26 26 ALA H H 1 7.465 0.05 . 1 . . . A 26 ALA H . 30088 1
306 . 1 1 26 26 ALA HA H 1 3.195 0.05 . 1 . . . A 26 ALA HA . 30088 1
307 . 1 1 26 26 ALA HB1 H 1 0.695 0.05 . 1 . . . A 26 ALA HB1 . 30088 1
308 . 1 1 26 26 ALA HB2 H 1 0.695 0.05 . 1 . . . A 26 ALA HB2 . 30088 1
309 . 1 1 26 26 ALA HB3 H 1 0.695 0.05 . 1 . . . A 26 ALA HB3 . 30088 1
310 . 1 1 26 26 ALA C C 13 177.150 0.1 . 1 . . . A 26 ALA C . 30088 1
311 . 1 1 26 26 ALA CA C 13 55.150 0.1 . 1 . . . A 26 ALA CA . 30088 1
312 . 1 1 26 26 ALA CB C 13 17.439 0.1 . 1 . . . A 26 ALA CB . 30088 1
313 . 1 1 26 26 ALA N N 15 124.204 0.4 . 1 . . . A 26 ALA N . 30088 1
314 . 1 1 27 27 GLU H H 1 8.812 0.05 . 1 . . . A 27 GLU H . 30088 1
315 . 1 1 27 27 GLU HA H 1 3.007 0.05 . 1 . . . A 27 GLU HA . 30088 1
316 . 1 1 27 27 GLU HB2 H 1 2.262 0.05 . 2 . . . A 27 GLU HB2 . 30088 1
317 . 1 1 27 27 GLU HB3 H 1 2.096 0.05 . 2 . . . A 27 GLU HB3 . 30088 1
318 . 1 1 27 27 GLU HG2 H 1 1.986 0.05 . 1 . . . A 27 GLU HG2 . 30088 1
319 . 1 1 27 27 GLU HG3 H 1 1.986 0.05 . 1 . . . A 27 GLU HG3 . 30088 1
320 . 1 1 27 27 GLU C C 13 177.733 0.1 . 1 . . . A 27 GLU C . 30088 1
321 . 1 1 27 27 GLU CA C 13 59.175 0.1 . 1 . . . A 27 GLU CA . 30088 1
322 . 1 1 27 27 GLU CB C 13 28.941 0.1 . 1 . . . A 27 GLU CB . 30088 1
323 . 1 1 27 27 GLU CG C 13 35.640 0.1 . 1 . . . A 27 GLU CG . 30088 1
324 . 1 1 27 27 GLU N N 15 116.577 0.4 . 1 . . . A 27 GLU N . 30088 1
325 . 1 1 28 28 LYS H H 1 7.131 0.05 . 1 . . . A 28 LYS H . 30088 1
326 . 1 1 28 28 LYS HA H 1 3.775 0.05 . 1 . . . A 28 LYS HA . 30088 1
327 . 1 1 28 28 LYS HB2 H 1 2.077 0.05 . 2 . . . A 28 LYS HB2 . 30088 1
328 . 1 1 28 28 LYS HB3 H 1 1.953 0.05 . 2 . . . A 28 LYS HB3 . 30088 1
329 . 1 1 28 28 LYS HG2 H 1 1.856 0.05 . 2 . . . A 28 LYS HG2 . 30088 1
330 . 1 1 28 28 LYS HG3 H 1 1.374 0.05 . 2 . . . A 28 LYS HG3 . 30088 1
331 . 1 1 28 28 LYS HD2 H 1 1.811 0.05 . 2 . . . A 28 LYS HD2 . 30088 1
332 . 1 1 28 28 LYS HD3 H 1 1.682 0.05 . 2 . . . A 28 LYS HD3 . 30088 1
333 . 1 1 28 28 LYS HE2 H 1 2.974 0.05 . 1 . . . A 28 LYS HE2 . 30088 1
334 . 1 1 28 28 LYS HE3 H 1 2.974 0.05 . 1 . . . A 28 LYS HE3 . 30088 1
335 . 1 1 28 28 LYS C C 13 178.531 0.1 . 1 . . . A 28 LYS C . 30088 1
336 . 1 1 28 28 LYS CA C 13 60.385 0.1 . 1 . . . A 28 LYS CA . 30088 1
337 . 1 1 28 28 LYS CB C 13 32.713 0.1 . 1 . . . A 28 LYS CB . 30088 1
338 . 1 1 28 28 LYS CG C 13 26.551 0.1 . 1 . . . A 28 LYS CG . 30088 1
339 . 1 1 28 28 LYS CD C 13 30.139 0.1 . 1 . . . A 28 LYS CD . 30088 1
340 . 1 1 28 28 LYS CE C 13 42.226 0.1 . 1 . . . A 28 LYS CE . 30088 1
341 . 1 1 28 28 LYS N N 15 117.709 0.4 . 1 . . . A 28 LYS N . 30088 1
342 . 1 1 28 28 LYS NZ N 15 33.221 0.4 . 1 . . . A 28 LYS NZ . 30088 1
343 . 1 1 29 29 VAL H H 1 7.653 0.05 . 1 . . . A 29 VAL H . 30088 1
344 . 1 1 29 29 VAL HA H 1 3.567 0.05 . 1 . . . A 29 VAL HA . 30088 1
345 . 1 1 29 29 VAL HB H 1 1.828 0.05 . 1 . . . A 29 VAL HB . 30088 1
346 . 1 1 29 29 VAL HG11 H 1 1.018 0.05 . 2 . . . A 29 VAL HG11 . 30088 1
347 . 1 1 29 29 VAL HG12 H 1 1.018 0.05 . 2 . . . A 29 VAL HG12 . 30088 1
348 . 1 1 29 29 VAL HG13 H 1 1.018 0.05 . 2 . . . A 29 VAL HG13 . 30088 1
349 . 1 1 29 29 VAL HG21 H 1 0.868 0.05 . 2 . . . A 29 VAL HG21 . 30088 1
350 . 1 1 29 29 VAL HG22 H 1 0.868 0.05 . 2 . . . A 29 VAL HG22 . 30088 1
351 . 1 1 29 29 VAL HG23 H 1 0.868 0.05 . 2 . . . A 29 VAL HG23 . 30088 1
352 . 1 1 29 29 VAL C C 13 178.327 0.1 . 1 . . . A 29 VAL C . 30088 1
353 . 1 1 29 29 VAL CA C 13 66.526 0.1 . 1 . . . A 29 VAL CA . 30088 1
354 . 1 1 29 29 VAL CB C 13 31.801 0.1 . 1 . . . A 29 VAL CB . 30088 1
355 . 1 1 29 29 VAL CG1 C 13 22.240 0.1 . 2 . . . A 29 VAL CG1 . 30088 1
356 . 1 1 29 29 VAL CG2 C 13 21.100 0.1 . 2 . . . A 29 VAL CG2 . 30088 1
357 . 1 1 29 29 VAL N N 15 119.265 0.4 . 1 . . . A 29 VAL N . 30088 1
358 . 1 1 30 30 PHE H H 1 8.821 0.05 . 1 . . . A 30 PHE H . 30088 1
359 . 1 1 30 30 PHE HA H 1 4.874 0.05 . 1 . . . A 30 PHE HA . 30088 1
360 . 1 1 30 30 PHE HB2 H 1 3.373 0.05 . 2 . . . A 30 PHE HB2 . 30088 1
361 . 1 1 30 30 PHE HB3 H 1 2.775 0.05 . 2 . . . A 30 PHE HB3 . 30088 1
362 . 1 1 30 30 PHE C C 13 178.986 0.1 . 1 . . . A 30 PHE C . 30088 1
363 . 1 1 30 30 PHE CA C 13 57.529 0.1 . 1 . . . A 30 PHE CA . 30088 1
364 . 1 1 30 30 PHE CB C 13 37.630 0.1 . 1 . . . A 30 PHE CB . 30088 1
365 . 1 1 30 30 PHE N N 15 118.772 0.4 . 1 . . . A 30 PHE N . 30088 1
366 . 1 1 31 31 LYS H H 1 9.179 0.05 . 1 . . . A 31 LYS H . 30088 1
367 . 1 1 31 31 LYS HA H 1 4.372 0.05 . 1 . . . A 31 LYS HA . 30088 1
368 . 1 1 31 31 LYS HB2 H 1 1.882 0.05 . 2 . . . A 31 LYS HB2 . 30088 1
369 . 1 1 31 31 LYS HB3 H 1 1.702 0.05 . 2 . . . A 31 LYS HB3 . 30088 1
370 . 1 1 31 31 LYS HG2 H 1 0.486 0.05 . 2 . . . A 31 LYS HG2 . 30088 1
371 . 1 1 31 31 LYS HG3 H 1 0.820 0.05 . 2 . . . A 31 LYS HG3 . 30088 1
372 . 1 1 31 31 LYS HD2 H 1 1.423 0.05 . 2 . . . A 31 LYS HD2 . 30088 1
373 . 1 1 31 31 LYS HD3 H 1 1.136 0.05 . 2 . . . A 31 LYS HD3 . 30088 1
374 . 1 1 31 31 LYS HE2 H 1 1.807 0.05 . 2 . . . A 31 LYS HE2 . 30088 1
375 . 1 1 31 31 LYS HE3 H 1 1.638 0.05 . 2 . . . A 31 LYS HE3 . 30088 1
376 . 1 1 31 31 LYS C C 13 179.683 0.1 . 1 . . . A 31 LYS C . 30088 1
377 . 1 1 31 31 LYS CA C 13 60.190 0.1 . 1 . . . A 31 LYS CA . 30088 1
378 . 1 1 31 31 LYS CB C 13 31.620 0.1 . 1 . . . A 31 LYS CB . 30088 1
379 . 1 1 31 31 LYS CG C 13 27.242 0.1 . 1 . . . A 31 LYS CG . 30088 1
380 . 1 1 31 31 LYS CD C 13 29.483 0.1 . 1 . . . A 31 LYS CD . 30088 1
381 . 1 1 31 31 LYS CE C 13 40.984 0.1 . 1 . . . A 31 LYS CE . 30088 1
382 . 1 1 31 31 LYS N N 15 120.812 0.4 . 1 . . . A 31 LYS N . 30088 1
383 . 1 1 31 31 LYS NZ N 15 32.547 0.4 . 1 . . . A 31 LYS NZ . 30088 1
384 . 1 1 32 32 GLN H H 1 8.058 0.05 . 1 . . . A 32 GLN H . 30088 1
385 . 1 1 32 32 GLN HA H 1 4.106 0.05 . 1 . . . A 32 GLN HA . 30088 1
386 . 1 1 32 32 GLN HB2 H 1 2.403 0.05 . 1 . . . A 32 GLN HB2 . 30088 1
387 . 1 1 32 32 GLN HB3 H 1 2.403 0.05 . 1 . . . A 32 GLN HB3 . 30088 1
388 . 1 1 32 32 GLN HG2 H 1 2.456 0.05 . 1 . . . A 32 GLN HG2 . 30088 1
389 . 1 1 32 32 GLN HG3 H 1 2.456 0.05 . 1 . . . A 32 GLN HG3 . 30088 1
390 . 1 1 32 32 GLN HE21 H 1 8.201 0.05 . 1 . . . A 32 GLN HE21 . 30088 1
391 . 1 1 32 32 GLN HE22 H 1 7.106 0.05 . 1 . . . A 32 GLN HE22 . 30088 1
392 . 1 1 32 32 GLN C C 13 177.375 0.1 . 1 . . . A 32 GLN C . 30088 1
393 . 1 1 32 32 GLN CA C 13 58.916 0.1 . 1 . . . A 32 GLN CA . 30088 1
394 . 1 1 32 32 GLN CB C 13 28.857 0.1 . 1 . . . A 32 GLN CB . 30088 1
395 . 1 1 32 32 GLN CG C 13 34.225 0.1 . 1 . . . A 32 GLN CG . 30088 1
396 . 1 1 32 32 GLN N N 15 121.684 0.4 . 1 . . . A 32 GLN N . 30088 1
397 . 1 1 32 32 GLN NE2 N 15 116.383 0.4 . 1 . . . A 32 GLN NE2 . 30088 1
398 . 1 1 33 33 TYR H H 1 8.771 0.05 . 1 . . . A 33 TYR H . 30088 1
399 . 1 1 33 33 TYR HA H 1 4.336 0.05 . 1 . . . A 33 TYR HA . 30088 1
400 . 1 1 33 33 TYR HB2 H 1 3.489 0.05 . 2 . . . A 33 TYR HB2 . 30088 1
401 . 1 1 33 33 TYR HB3 H 1 3.358 0.05 . 2 . . . A 33 TYR HB3 . 30088 1
402 . 1 1 33 33 TYR C C 13 178.450 0.1 . 1 . . . A 33 TYR C . 30088 1
403 . 1 1 33 33 TYR CA C 13 61.664 0.1 . 1 . . . A 33 TYR CA . 30088 1
404 . 1 1 33 33 TYR CB C 13 38.803 0.1 . 1 . . . A 33 TYR CB . 30088 1
405 . 1 1 33 33 TYR N N 15 121.199 0.4 . 1 . . . A 33 TYR N . 30088 1
406 . 1 1 34 34 ALA H H 1 9.288 0.05 . 1 . . . A 34 ALA H . 30088 1
407 . 1 1 34 34 ALA HA H 1 3.811 0.05 . 1 . . . A 34 ALA HA . 30088 1
408 . 1 1 34 34 ALA HB1 H 1 1.988 0.05 . 1 . . . A 34 ALA HB1 . 30088 1
409 . 1 1 34 34 ALA HB2 H 1 1.988 0.05 . 1 . . . A 34 ALA HB2 . 30088 1
410 . 1 1 34 34 ALA HB3 H 1 1.988 0.05 . 1 . . . A 34 ALA HB3 . 30088 1
411 . 1 1 34 34 ALA C C 13 179.369 0.1 . 1 . . . A 34 ALA C . 30088 1
412 . 1 1 34 34 ALA CA C 13 56.152 0.1 . 1 . . . A 34 ALA CA . 30088 1
413 . 1 1 34 34 ALA CB C 13 17.991 0.1 . 1 . . . A 34 ALA CB . 30088 1
414 . 1 1 34 34 ALA N N 15 122.840 0.4 . 1 . . . A 34 ALA N . 30088 1
415 . 1 1 35 35 ASN H H 1 8.544 0.05 . 1 . . . A 35 ASN H . 30088 1
416 . 1 1 35 35 ASN HA H 1 4.559 0.05 . 1 . . . A 35 ASN HA . 30088 1
417 . 1 1 35 35 ASN HB2 H 1 3.083 0.05 . 1 . . . A 35 ASN HB2 . 30088 1
418 . 1 1 35 35 ASN HB3 H 1 3.083 0.05 . 1 . . . A 35 ASN HB3 . 30088 1
419 . 1 1 35 35 ASN HD21 H 1 7.799 0.05 . 1 . . . A 35 ASN HD21 . 30088 1
420 . 1 1 35 35 ASN HD22 H 1 7.362 0.05 . 1 . . . A 35 ASN HD22 . 30088 1
421 . 1 1 35 35 ASN C C 13 179.346 0.1 . 1 . . . A 35 ASN C . 30088 1
422 . 1 1 35 35 ASN CA C 13 57.204 0.1 . 1 . . . A 35 ASN CA . 30088 1
423 . 1 1 35 35 ASN CB C 13 39.441 0.1 . 1 . . . A 35 ASN CB . 30088 1
424 . 1 1 35 35 ASN N N 15 118.505 0.4 . 1 . . . A 35 ASN N . 30088 1
425 . 1 1 35 35 ASN ND2 N 15 113.977 0.4 . 1 . . . A 35 ASN ND2 . 30088 1
426 . 1 1 36 36 ASP H H 1 9.146 0.05 . 1 . . . A 36 ASP H . 30088 1
427 . 1 1 36 36 ASP HA H 1 4.400 0.05 . 1 . . . A 36 ASP HA . 30088 1
428 . 1 1 36 36 ASP HB2 H 1 2.947 0.05 . 2 . . . A 36 ASP HB2 . 30088 1
429 . 1 1 36 36 ASP HB3 H 1 2.646 0.05 . 2 . . . A 36 ASP HB3 . 30088 1
430 . 1 1 36 36 ASP C C 13 175.772 0.1 . 1 . . . A 36 ASP C . 30088 1
431 . 1 1 36 36 ASP CA C 13 55.949 0.1 . 1 . . . A 36 ASP CA . 30088 1
432 . 1 1 36 36 ASP CB C 13 38.261 0.1 . 1 . . . A 36 ASP CB . 30088 1
433 . 1 1 36 36 ASP N N 15 121.443 0.4 . 1 . . . A 36 ASP N . 30088 1
434 . 1 1 37 37 ASN H H 1 7.432 0.05 . 1 . . . A 37 ASN H . 30088 1
435 . 1 1 37 37 ASN HA H 1 4.765 0.05 . 1 . . . A 37 ASN HA . 30088 1
436 . 1 1 37 37 ASN HB2 H 1 2.848 0.05 . 2 . . . A 37 ASN HB2 . 30088 1
437 . 1 1 37 37 ASN HB3 H 1 2.089 0.05 . 2 . . . A 37 ASN HB3 . 30088 1
438 . 1 1 37 37 ASN HD21 H 1 6.549 0.05 . 1 . . . A 37 ASN HD21 . 30088 1
439 . 1 1 37 37 ASN HD22 H 1 6.217 0.05 . 1 . . . A 37 ASN HD22 . 30088 1
440 . 1 1 37 37 ASN C C 13 173.992 0.1 . 1 . . . A 37 ASN C . 30088 1
441 . 1 1 37 37 ASN CA C 13 53.597 0.1 . 1 . . . A 37 ASN CA . 30088 1
442 . 1 1 37 37 ASN CB C 13 40.370 0.1 . 1 . . . A 37 ASN CB . 30088 1
443 . 1 1 37 37 ASN N N 15 115.282 0.4 . 1 . . . A 37 ASN N . 30088 1
444 . 1 1 37 37 ASN ND2 N 15 114.570 0.4 . 1 . . . A 37 ASN ND2 . 30088 1
445 . 1 1 38 38 GLY H H 1 8.033 0.05 . 1 . . . A 38 GLY H . 30088 1
446 . 1 1 38 38 GLY HA2 H 1 3.942 0.05 . 2 . . . A 38 GLY HA2 . 30088 1
447 . 1 1 38 38 GLY HA3 H 1 4.137 0.05 . 2 . . . A 38 GLY HA3 . 30088 1
448 . 1 1 38 38 GLY C C 13 173.844 0.1 . 1 . . . A 38 GLY C . 30088 1
449 . 1 1 38 38 GLY CA C 13 46.873 0.1 . 1 . . . A 38 GLY CA . 30088 1
450 . 1 1 38 38 GLY N N 15 108.643 0.4 . 1 . . . A 38 GLY N . 30088 1
451 . 1 1 39 39 VAL H H 1 8.342 0.05 . 1 . . . A 39 VAL H . 30088 1
452 . 1 1 39 39 VAL HA H 1 4.205 0.05 . 1 . . . A 39 VAL HA . 30088 1
453 . 1 1 39 39 VAL HB H 1 2.023 0.05 . 1 . . . A 39 VAL HB . 30088 1
454 . 1 1 39 39 VAL HG11 H 1 0.822 0.05 . 2 . . . A 39 VAL HG11 . 30088 1
455 . 1 1 39 39 VAL HG12 H 1 0.822 0.05 . 2 . . . A 39 VAL HG12 . 30088 1
456 . 1 1 39 39 VAL HG13 H 1 0.822 0.05 . 2 . . . A 39 VAL HG13 . 30088 1
457 . 1 1 39 39 VAL HG21 H 1 0.960 0.05 . 2 . . . A 39 VAL HG21 . 30088 1
458 . 1 1 39 39 VAL HG22 H 1 0.960 0.05 . 2 . . . A 39 VAL HG22 . 30088 1
459 . 1 1 39 39 VAL HG23 H 1 0.960 0.05 . 2 . . . A 39 VAL HG23 . 30088 1
460 . 1 1 39 39 VAL C C 13 174.944 0.1 . 1 . . . A 39 VAL C . 30088 1
461 . 1 1 39 39 VAL CA C 13 61.874 0.1 . 1 . . . A 39 VAL CA . 30088 1
462 . 1 1 39 39 VAL CB C 13 31.664 0.1 . 1 . . . A 39 VAL CB . 30088 1
463 . 1 1 39 39 VAL CG1 C 13 21.989 0.1 . 2 . . . A 39 VAL CG1 . 30088 1
464 . 1 1 39 39 VAL CG2 C 13 21.909 0.1 . 2 . . . A 39 VAL CG2 . 30088 1
465 . 1 1 39 39 VAL N N 15 122.050 0.4 . 1 . . . A 39 VAL N . 30088 1
466 . 1 1 40 40 ASP H H 1 9.261 0.05 . 1 . . . A 40 ASP H . 30088 1
467 . 1 1 40 40 ASP HA H 1 5.163 0.05 . 1 . . . A 40 ASP HA . 30088 1
468 . 1 1 40 40 ASP HB2 H 1 3.068 0.05 . 2 . . . A 40 ASP HB2 . 30088 1
469 . 1 1 40 40 ASP HB3 H 1 2.679 0.05 . 2 . . . A 40 ASP HB3 . 30088 1
470 . 1 1 40 40 ASP C C 13 174.938 0.1 . 1 . . . A 40 ASP C . 30088 1
471 . 1 1 40 40 ASP CA C 13 52.725 0.1 . 1 . . . A 40 ASP CA . 30088 1
472 . 1 1 40 40 ASP CB C 13 41.554 0.1 . 1 . . . A 40 ASP CB . 30088 1
473 . 1 1 40 40 ASP N N 15 131.577 0.4 . 1 . . . A 40 ASP N . 30088 1
474 . 1 1 41 41 GLY H H 1 8.160 0.05 . 1 . . . A 41 GLY H . 30088 1
475 . 1 1 41 41 GLY HA2 H 1 4.874 0.05 . 2 . . . A 41 GLY HA2 . 30088 1
476 . 1 1 41 41 GLY HA3 H 1 3.476 0.05 . 2 . . . A 41 GLY HA3 . 30088 1
477 . 1 1 41 41 GLY C C 13 172.591 0.1 . 1 . . . A 41 GLY C . 30088 1
478 . 1 1 41 41 GLY CA C 13 45.129 0.1 . 1 . . . A 41 GLY CA . 30088 1
479 . 1 1 41 41 GLY N N 15 108.748 0.4 . 1 . . . A 41 GLY N . 30088 1
480 . 1 1 42 42 GLU H H 1 8.724 0.05 . 1 . . . A 42 GLU H . 30088 1
481 . 1 1 42 42 GLU HA H 1 5.320 0.05 . 1 . . . A 42 GLU HA . 30088 1
482 . 1 1 42 42 GLU HB2 H 1 2.295 0.05 . 2 . . . A 42 GLU HB2 . 30088 1
483 . 1 1 42 42 GLU HB3 H 1 2.156 0.05 . 2 . . . A 42 GLU HB3 . 30088 1
484 . 1 1 42 42 GLU HG2 H 1 2.495 0.05 . 1 . . . A 42 GLU HG2 . 30088 1
485 . 1 1 42 42 GLU HG3 H 1 2.495 0.05 . 1 . . . A 42 GLU HG3 . 30088 1
486 . 1 1 42 42 GLU C C 13 177.880 0.1 . 1 . . . A 42 GLU C . 30088 1
487 . 1 1 42 42 GLU CA C 13 55.241 0.1 . 1 . . . A 42 GLU CA . 30088 1
488 . 1 1 42 42 GLU CB C 13 31.465 0.1 . 1 . . . A 42 GLU CB . 30088 1
489 . 1 1 42 42 GLU CG C 13 36.221 0.1 . 1 . . . A 42 GLU CG . 30088 1
490 . 1 1 42 42 GLU N N 15 119.574 0.4 . 1 . . . A 42 GLU N . 30088 1
491 . 1 1 43 43 TRP H H 1 9.466 0.05 . 1 . . . A 43 TRP H . 30088 1
492 . 1 1 43 43 TRP HA H 1 6.050 0.05 . 1 . . . A 43 TRP HA . 30088 1
493 . 1 1 43 43 TRP HB2 H 1 3.740 0.05 . 2 . . . A 43 TRP HB2 . 30088 1
494 . 1 1 43 43 TRP HB3 H 1 3.345 0.05 . 2 . . . A 43 TRP HB3 . 30088 1
495 . 1 1 43 43 TRP HD1 H 1 7.622 0.05 . 1 . . . A 43 TRP HD1 . 30088 1
496 . 1 1 43 43 TRP HE1 H 1 10.743 0.05 . 1 . . . A 43 TRP HE1 . 30088 1
497 . 1 1 43 43 TRP HE3 H 1 7.952 0.05 . 1 . . . A 43 TRP HE3 . 30088 1
498 . 1 1 43 43 TRP HZ2 H 1 7.535 0.05 . 1 . . . A 43 TRP HZ2 . 30088 1
499 . 1 1 43 43 TRP HZ3 H 1 6.846 0.05 . 1 . . . A 43 TRP HZ3 . 30088 1
500 . 1 1 43 43 TRP HH2 H 1 6.891 0.05 . 1 . . . A 43 TRP HH2 . 30088 1
501 . 1 1 43 43 TRP C C 13 176.791 0.1 . 1 . . . A 43 TRP C . 30088 1
502 . 1 1 43 43 TRP CA C 13 57.607 0.1 . 1 . . . A 43 TRP CA . 30088 1
503 . 1 1 43 43 TRP CB C 13 33.505 0.1 . 1 . . . A 43 TRP CB . 30088 1
504 . 1 1 43 43 TRP CD1 C 13 126.362 0.1 . 1 . . . A 43 TRP CD1 . 30088 1
505 . 1 1 43 43 TRP CE3 C 13 119.538 0.1 . 1 . . . A 43 TRP CE3 . 30088 1
506 . 1 1 43 43 TRP CZ2 C 13 114.039 0.1 . 1 . . . A 43 TRP CZ2 . 30088 1
507 . 1 1 43 43 TRP CZ3 C 13 119.632 0.1 . 1 . . . A 43 TRP CZ3 . 30088 1
508 . 1 1 43 43 TRP CH2 C 13 121.980 0.1 . 1 . . . A 43 TRP CH2 . 30088 1
509 . 1 1 43 43 TRP N N 15 125.468 0.4 . 1 . . . A 43 TRP N . 30088 1
510 . 1 1 43 43 TRP NE1 N 15 131.870 0.4 . 1 . . . A 43 TRP NE1 . 30088 1
511 . 1 1 44 44 THR H H 1 9.041 0.05 . 1 . . . A 44 THR H . 30088 1
512 . 1 1 44 44 THR HA H 1 5.670 0.05 . 1 . . . A 44 THR HA . 30088 1
513 . 1 1 44 44 THR HB H 1 4.294 0.05 . 1 . . . A 44 THR HB . 30088 1
514 . 1 1 44 44 THR HG21 H 1 1.200 0.05 . 1 . . . A 44 THR HG21 . 30088 1
515 . 1 1 44 44 THR HG22 H 1 1.200 0.05 . 1 . . . A 44 THR HG22 . 30088 1
516 . 1 1 44 44 THR HG23 H 1 1.200 0.05 . 1 . . . A 44 THR HG23 . 30088 1
517 . 1 1 44 44 THR C C 13 173.810 0.1 . 1 . . . A 44 THR C . 30088 1
518 . 1 1 44 44 THR CA C 13 60.960 0.1 . 1 . . . A 44 THR CA . 30088 1
519 . 1 1 44 44 THR CB C 13 73.154 0.1 . 1 . . . A 44 THR CB . 30088 1
520 . 1 1 44 44 THR CG2 C 13 20.900 0.1 . 1 . . . A 44 THR CG2 . 30088 1
521 . 1 1 44 44 THR N N 15 108.848 0.4 . 1 . . . A 44 THR N . 30088 1
522 . 1 1 45 45 TYR H H 1 9.389 0.05 . 1 . . . A 45 TYR H . 30088 1
523 . 1 1 45 45 TYR HA H 1 5.061 0.05 . 1 . . . A 45 TYR HA . 30088 1
524 . 1 1 45 45 TYR HB2 H 1 3.141 0.05 . 2 . . . A 45 TYR HB2 . 30088 1
525 . 1 1 45 45 TYR HB3 H 1 2.406 0.05 . 2 . . . A 45 TYR HB3 . 30088 1
526 . 1 1 45 45 TYR C C 13 171.739 0.1 . 1 . . . A 45 TYR C . 30088 1
527 . 1 1 45 45 TYR CA C 13 57.909 0.1 . 1 . . . A 45 TYR CA . 30088 1
528 . 1 1 45 45 TYR CB C 13 42.855 0.1 . 1 . . . A 45 TYR CB . 30088 1
529 . 1 1 45 45 TYR N N 15 118.922 0.4 . 1 . . . A 45 TYR N . 30088 1
530 . 1 1 46 46 ASP H H 1 7.522 0.05 . 1 . . . A 46 ASP H . 30088 1
531 . 1 1 46 46 ASP HA H 1 5.234 0.05 . 1 . . . A 46 ASP HA . 30088 1
532 . 1 1 46 46 ASP HB2 H 1 2.416 0.05 . 2 . . . A 46 ASP HB2 . 30088 1
533 . 1 1 46 46 ASP HB3 H 1 3.024 0.05 . 2 . . . A 46 ASP HB3 . 30088 1
534 . 1 1 46 46 ASP C C 13 176.173 0.1 . 1 . . . A 46 ASP C . 30088 1
535 . 1 1 46 46 ASP CA C 13 50.984 0.1 . 1 . . . A 46 ASP CA . 30088 1
536 . 1 1 46 46 ASP CB C 13 42.718 0.1 . 1 . . . A 46 ASP CB . 30088 1
537 . 1 1 46 46 ASP N N 15 126.724 0.4 . 1 . . . A 46 ASP N . 30088 1
538 . 1 1 47 47 ASP H H 1 8.823 0.05 . 1 . . . A 47 ASP H . 30088 1
539 . 1 1 47 47 ASP HA H 1 4.615 0.05 . 1 . . . A 47 ASP HA . 30088 1
540 . 1 1 47 47 ASP HB2 H 1 3.007 0.05 . 2 . . . A 47 ASP HB2 . 30088 1
541 . 1 1 47 47 ASP HB3 H 1 2.549 0.05 . 2 . . . A 47 ASP HB3 . 30088 1
542 . 1 1 47 47 ASP C C 13 177.072 0.1 . 1 . . . A 47 ASP C . 30088 1
543 . 1 1 47 47 ASP CA C 13 54.471 0.1 . 1 . . . A 47 ASP CA . 30088 1
544 . 1 1 47 47 ASP CB C 13 42.998 0.1 . 1 . . . A 47 ASP CB . 30088 1
545 . 1 1 47 47 ASP N N 15 123.755 0.4 . 1 . . . A 47 ASP N . 30088 1
546 . 1 1 48 48 ALA H H 1 8.713 0.05 . 1 . . . A 48 ALA H . 30088 1
547 . 1 1 48 48 ALA HA H 1 4.406 0.05 . 1 . . . A 48 ALA HA . 30088 1
548 . 1 1 48 48 ALA HB1 H 1 1.596 0.05 . 1 . . . A 48 ALA HB1 . 30088 1
549 . 1 1 48 48 ALA HB2 H 1 1.596 0.05 . 1 . . . A 48 ALA HB2 . 30088 1
550 . 1 1 48 48 ALA HB3 H 1 1.596 0.05 . 1 . . . A 48 ALA HB3 . 30088 1
551 . 1 1 48 48 ALA C C 13 179.072 0.1 . 1 . . . A 48 ALA C . 30088 1
552 . 1 1 48 48 ALA CA C 13 53.921 0.1 . 1 . . . A 48 ALA CA . 30088 1
553 . 1 1 48 48 ALA CB C 13 19.104 0.1 . 1 . . . A 48 ALA CB . 30088 1
554 . 1 1 48 48 ALA N N 15 119.072 0.4 . 1 . . . A 48 ALA N . 30088 1
555 . 1 1 49 49 THR H H 1 7.117 0.05 . 1 . . . A 49 THR H . 30088 1
556 . 1 1 49 49 THR HA H 1 4.394 0.05 . 1 . . . A 49 THR HA . 30088 1
557 . 1 1 49 49 THR HB H 1 4.525 0.05 . 1 . . . A 49 THR HB . 30088 1
558 . 1 1 49 49 THR HG21 H 1 1.169 0.05 . 1 . . . A 49 THR HG21 . 30088 1
559 . 1 1 49 49 THR HG22 H 1 1.169 0.05 . 1 . . . A 49 THR HG22 . 30088 1
560 . 1 1 49 49 THR HG23 H 1 1.169 0.05 . 1 . . . A 49 THR HG23 . 30088 1
561 . 1 1 49 49 THR C C 13 175.519 0.1 . 1 . . . A 49 THR C . 30088 1
562 . 1 1 49 49 THR CA C 13 60.441 0.1 . 1 . . . A 49 THR CA . 30088 1
563 . 1 1 49 49 THR CB C 13 69.934 0.1 . 1 . . . A 49 THR CB . 30088 1
564 . 1 1 49 49 THR CG2 C 13 21.499 0.1 . 1 . . . A 49 THR CG2 . 30088 1
565 . 1 1 49 49 THR N N 15 104.581 0.4 . 1 . . . A 49 THR N . 30088 1
566 . 1 1 50 50 LYS H H 1 8.043 0.05 . 1 . . . A 50 LYS H . 30088 1
567 . 1 1 50 50 LYS HA H 1 4.426 0.05 . 1 . . . A 50 LYS HA . 30088 1
568 . 1 1 50 50 LYS HB2 H 1 2.464 0.05 . 2 . . . A 50 LYS HB2 . 30088 1
569 . 1 1 50 50 LYS HB3 H 1 2.115 0.05 . 2 . . . A 50 LYS HB3 . 30088 1
570 . 1 1 50 50 LYS HG2 H 1 0.977 0.05 . 2 . . . A 50 LYS HG2 . 30088 1
571 . 1 1 50 50 LYS HG3 H 1 1.374 0.05 . 2 . . . A 50 LYS HG3 . 30088 1
572 . 1 1 50 50 LYS HD2 H 1 1.762 0.05 . 1 . . . A 50 LYS HD2 . 30088 1
573 . 1 1 50 50 LYS HD3 H 1 1.762 0.05 . 1 . . . A 50 LYS HD3 . 30088 1
574 . 1 1 50 50 LYS HE2 H 1 3.136 0.05 . 2 . . . A 50 LYS HE2 . 30088 1
575 . 1 1 50 50 LYS HE3 H 1 2.912 0.05 . 2 . . . A 50 LYS HE3 . 30088 1
576 . 1 1 50 50 LYS C C 13 175.259 0.1 . 1 . . . A 50 LYS C . 30088 1
577 . 1 1 50 50 LYS CA C 13 55.456 0.1 . 1 . . . A 50 LYS CA . 30088 1
578 . 1 1 50 50 LYS CB C 13 27.745 0.1 . 1 . . . A 50 LYS CB . 30088 1
579 . 1 1 50 50 LYS CG C 13 24.196 0.1 . 1 . . . A 50 LYS CG . 30088 1
580 . 1 1 50 50 LYS CD C 13 28.277 0.1 . 1 . . . A 50 LYS CD . 30088 1
581 . 1 1 50 50 LYS CE C 13 43.334 0.1 . 1 . . . A 50 LYS CE . 30088 1
582 . 1 1 50 50 LYS N N 15 119.411 0.4 . 1 . . . A 50 LYS N . 30088 1
583 . 1 1 51 51 THR H H 1 7.506 0.05 . 1 . . . A 51 THR H . 30088 1
584 . 1 1 51 51 THR HA H 1 5.594 0.05 . 1 . . . A 51 THR HA . 30088 1
585 . 1 1 51 51 THR HB H 1 3.905 0.05 . 1 . . . A 51 THR HB . 30088 1
586 . 1 1 51 51 THR HG21 H 1 1.220 0.05 . 1 . . . A 51 THR HG21 . 30088 1
587 . 1 1 51 51 THR HG22 H 1 1.220 0.05 . 1 . . . A 51 THR HG22 . 30088 1
588 . 1 1 51 51 THR HG23 H 1 1.220 0.05 . 1 . . . A 51 THR HG23 . 30088 1
589 . 1 1 51 51 THR C C 13 174.115 0.1 . 1 . . . A 51 THR C . 30088 1
590 . 1 1 51 51 THR CA C 13 62.559 0.1 . 1 . . . A 51 THR CA . 30088 1
591 . 1 1 51 51 THR CB C 13 71.600 0.1 . 1 . . . A 51 THR CB . 30088 1
592 . 1 1 51 51 THR CG2 C 13 21.186 0.1 . 1 . . . A 51 THR CG2 . 30088 1
593 . 1 1 51 51 THR N N 15 112.439 0.4 . 1 . . . A 51 THR N . 30088 1
594 . 1 1 52 52 PHE H H 1 10.846 0.05 . 1 . . . A 52 PHE H . 30088 1
595 . 1 1 52 52 PHE HA H 1 6.137 0.05 . 1 . . . A 52 PHE HA . 30088 1
596 . 1 1 52 52 PHE HB2 H 1 3.599 0.05 . 2 . . . A 52 PHE HB2 . 30088 1
597 . 1 1 52 52 PHE HB3 H 1 3.255 0.05 . 2 . . . A 52 PHE HB3 . 30088 1
598 . 1 1 52 52 PHE C C 13 175.683 0.1 . 1 . . . A 52 PHE C . 30088 1
599 . 1 1 52 52 PHE CA C 13 56.595 0.1 . 1 . . . A 52 PHE CA . 30088 1
600 . 1 1 52 52 PHE CB C 13 43.379 0.1 . 1 . . . A 52 PHE CB . 30088 1
601 . 1 1 52 52 PHE N N 15 130.499 0.4 . 1 . . . A 52 PHE N . 30088 1
602 . 1 1 53 53 THR H H 1 9.334 0.05 . 1 . . . A 53 THR H . 30088 1
603 . 1 1 53 53 THR HA H 1 5.546 0.05 . 1 . . . A 53 THR HA . 30088 1
604 . 1 1 53 53 THR HB H 1 4.000 0.05 . 1 . . . A 53 THR HB . 30088 1
605 . 1 1 53 53 THR HG21 H 1 1.337 0.05 . 1 . . . A 53 THR HG21 . 30088 1
606 . 1 1 53 53 THR HG22 H 1 1.337 0.05 . 1 . . . A 53 THR HG22 . 30088 1
607 . 1 1 53 53 THR HG23 H 1 1.337 0.05 . 1 . . . A 53 THR HG23 . 30088 1
608 . 1 1 53 53 THR C C 13 171.780 0.1 . 1 . . . A 53 THR C . 30088 1
609 . 1 1 53 53 THR CA C 13 60.350 0.1 . 1 . . . A 53 THR CA . 30088 1
610 . 1 1 53 53 THR CB C 13 71.961 0.1 . 1 . . . A 53 THR CB . 30088 1
611 . 1 1 53 53 THR CG2 C 13 20.970 0.1 . 1 . . . A 53 THR CG2 . 30088 1
612 . 1 1 53 53 THR N N 15 112.200 0.4 . 1 . . . A 53 THR N . 30088 1
613 . 1 1 54 54 VAL H H 1 8.263 0.05 . 1 . . . A 54 VAL H . 30088 1
614 . 1 1 54 54 VAL HA H 1 4.718 0.05 . 1 . . . A 54 VAL HA . 30088 1
615 . 1 1 54 54 VAL HB H 1 -0.344 0.05 . 1 . . . A 54 VAL HB . 30088 1
616 . 1 1 54 54 VAL HG11 H 1 0.023 0.05 . 2 . . . A 54 VAL HG11 . 30088 1
617 . 1 1 54 54 VAL HG12 H 1 0.023 0.05 . 2 . . . A 54 VAL HG12 . 30088 1
618 . 1 1 54 54 VAL HG13 H 1 0.023 0.05 . 2 . . . A 54 VAL HG13 . 30088 1
619 . 1 1 54 54 VAL HG21 H 1 0.655 0.05 . 2 . . . A 54 VAL HG21 . 30088 1
620 . 1 1 54 54 VAL HG22 H 1 0.655 0.05 . 2 . . . A 54 VAL HG22 . 30088 1
621 . 1 1 54 54 VAL HG23 H 1 0.655 0.05 . 2 . . . A 54 VAL HG23 . 30088 1
622 . 1 1 54 54 VAL C C 13 172.365 0.1 . 1 . . . A 54 VAL C . 30088 1
623 . 1 1 54 54 VAL CA C 13 58.621 0.1 . 1 . . . A 54 VAL CA . 30088 1
624 . 1 1 54 54 VAL CB C 13 32.614 0.1 . 1 . . . A 54 VAL CB . 30088 1
625 . 1 1 54 54 VAL CG1 C 13 21.886 0.1 . 2 . . . A 54 VAL CG1 . 30088 1
626 . 1 1 54 54 VAL CG2 C 13 19.664 0.1 . 2 . . . A 54 VAL CG2 . 30088 1
627 . 1 1 54 54 VAL N N 15 118.240 0.4 . 1 . . . A 54 VAL N . 30088 1
628 . 1 1 55 55 THR H H 1 8.517 0.05 . 1 . . . A 55 THR H . 30088 1
629 . 1 1 55 55 THR HA H 1 4.862 0.05 . 1 . . . A 55 THR HA . 30088 1
630 . 1 1 55 55 THR HB H 1 4.019 0.05 . 1 . . . A 55 THR HB . 30088 1
631 . 1 1 55 55 THR HG21 H 1 1.507 0.05 . 1 . . . A 55 THR HG21 . 30088 1
632 . 1 1 55 55 THR HG22 H 1 1.507 0.05 . 1 . . . A 55 THR HG22 . 30088 1
633 . 1 1 55 55 THR HG23 H 1 1.507 0.05 . 1 . . . A 55 THR HG23 . 30088 1
634 . 1 1 55 55 THR C C 13 173.940 0.1 . 1 . . . A 55 THR C . 30088 1
635 . 1 1 55 55 THR CA C 13 61.337 0.1 . 1 . . . A 55 THR CA . 30088 1
636 . 1 1 55 55 THR CB C 13 72.229 0.1 . 1 . . . A 55 THR CB . 30088 1
637 . 1 1 55 55 THR CG2 C 13 21.203 0.1 . 1 . . . A 55 THR CG2 . 30088 1
638 . 1 1 55 55 THR N N 15 124.280 0.4 . 1 . . . A 55 THR N . 30088 1
639 . 1 1 56 56 GLU H H 1 8.007 0.05 . 1 . . . A 56 GLU H . 30088 1
640 . 1 1 56 56 GLU HA H 1 4.595 0.05 . 1 . . . A 56 GLU HA . 30088 1
641 . 1 1 56 56 GLU HB2 H 1 2.432 0.05 . 2 . . . A 56 GLU HB2 . 30088 1
642 . 1 1 56 56 GLU HB3 H 1 2.097 0.05 . 2 . . . A 56 GLU HB3 . 30088 1
643 . 1 1 56 56 GLU HG2 H 1 2.347 0.05 . 1 . . . A 56 GLU HG2 . 30088 1
644 . 1 1 56 56 GLU HG3 H 1 2.347 0.05 . 1 . . . A 56 GLU HG3 . 30088 1
645 . 1 1 56 56 GLU C C 13 180.402 0.1 . 1 . . . A 56 GLU C . 30088 1
646 . 1 1 56 56 GLU CA C 13 57.562 0.1 . 1 . . . A 56 GLU CA . 30088 1
647 . 1 1 56 56 GLU CB C 13 33.265 0.1 . 1 . . . A 56 GLU CB . 30088 1
648 . 1 1 56 56 GLU CG C 13 38.915 0.1 . 1 . . . A 56 GLU CG . 30088 1
649 . 1 1 56 56 GLU N N 15 131.006 0.4 . 1 . . . A 56 GLU N . 30088 1
stop_
save_