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 26003
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $Standard
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC/HMQC' 1 $15N-13C isotropic 26003 1
2 '2D 1H-15N HSQC/HMQC' 1 $15N-13C isotropic 26003 1
3 '2D 1H-13C HSQC/HMQC' 1 $15N-13C isotropic 26003 1
4 '2D 1H-13C HSQC/HMQC' 1 $15N-13C isotropic 26003 1
5 '2D 1H-13C HSQC/HMQC' 1 $15N-13C isotropic 26003 1
6 '3D HNCO' 1 $15N-13C isotropic 26003 1
7 'HNCACO (H[N[ca[CO]]])' 1 $15N-13C isotropic 26003 1
8 'HNCOCACB (H[N[co[{CA|ca[C]}]]])' 1 $15N-13C isotropic 26003 1
9 '3D HNCACB' 1 $15N-13C isotropic 26003 1
10 '2D 1H-1H TOCSY' 1 $15N-13C isotropic 26003 1
11 '2D 1H-1H NOESY' 1 $15N-13C isotropic 26003 1
12 '3D HCCH-TOCSY' 1 $15N-13C isotropic 26003 1
13 '13C HSQC NOESY (H_H[{N|C}].through-space)' 1 $15N-13C isotropic 26003 1
14 '13C Aro HSQC NOESY (H_H[{N|C}].through-space)' 1 $15N-13C isotropic 26003 1
15 '15N HSQC NOESY (H_H[{N|C}].through-space)' 1 $15N-13C isotropic 26003 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
4 $CcpNmr_Analysis . . 26003 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.Ambiguity_set_ID
_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 GLY HA2 H 1 3.772 0.005 . 1 . . 288 . . 1 GLY HA2 . 26003 1
2 . 1 1 1 1 GLY HA3 H 1 3.772 0.005 . 1 . . 287 . . 1 GLY HA3 . 26003 1
3 . 1 1 1 1 GLY C C 13 169.781 0.014 . 1 . . 92 . . 1 GLY C . 26003 1
4 . 1 1 1 1 GLY CA C 13 43.151 0.064 . 1 . . 91 . . 1 GLY CA . 26003 1
5 . 1 1 2 2 LEU H H 1 8.469 0.008 . 1 . . 280 . . 2 LEU H . 26003 1
6 . 1 1 2 2 LEU HA H 1 4.291 0.003 . 1 . . 281 . . 2 LEU HA . 26003 1
7 . 1 1 2 2 LEU HB2 H 1 1.524 0.002 . 1 . . 283 . . 2 LEU HB2 . 26003 1
8 . 1 1 2 2 LEU HB3 H 1 1.524 0.002 . 1 . . 282 . . 2 LEU HB3 . 26003 1
9 . 1 1 2 2 LEU HG H 1 1.527 0.004 . 1 . . 284 . . 2 LEU HG . 26003 1
10 . 1 1 2 2 LEU HD11 H 1 0.802 0.003 . 2 . . 285 . . 2 LEU HD11 . 26003 1
11 . 1 1 2 2 LEU HD12 H 1 0.802 0.003 . 2 . . 285 . . 2 LEU HD12 . 26003 1
12 . 1 1 2 2 LEU HD13 H 1 0.802 0.003 . 2 . . 285 . . 2 LEU HD13 . 26003 1
13 . 1 1 2 2 LEU HD21 H 1 0.839 0.005 . 2 . . 286 . . 2 LEU HD21 . 26003 1
14 . 1 1 2 2 LEU HD22 H 1 0.839 0.005 . 2 . . 286 . . 2 LEU HD22 . 26003 1
15 . 1 1 2 2 LEU HD23 H 1 0.839 0.005 . 2 . . 286 . . 2 LEU HD23 . 26003 1
16 . 1 1 2 2 LEU C C 13 177.323 0.007 . 1 . . 88 . . 2 LEU C . 26003 1
17 . 1 1 2 2 LEU CA C 13 55.569 0.022 . 1 . . 90 . . 2 LEU CA . 26003 1
18 . 1 1 2 2 LEU CB C 13 42.598 0.036 . 1 . . 89 . . 2 LEU CB . 26003 1
19 . 1 1 2 2 LEU CG C 13 26.926 0.043 . 1 . . 251 . . 2 LEU CG . 26003 1
20 . 1 1 2 2 LEU CD1 C 13 23.608 0.017 . 2 . . 250 . . 2 LEU CD1 . 26003 1
21 . 1 1 2 2 LEU CD2 C 13 24.626 0.028 . 2 . . 249 . . 2 LEU CD2 . 26003 1
22 . 1 1 2 2 LEU N N 15 121.784 0.058 . 1 . . 294 . . 2 LEU N . 26003 1
23 . 1 1 3 3 ILE H H 1 8.173 0.008 . 1 . . 22 . . 3 ILE H . 26003 1
24 . 1 1 3 3 ILE HA H 1 4.094 0.002 . 1 . . 201 . . 3 ILE HA . 26003 1
25 . 1 1 3 3 ILE HB H 1 1.772 0.003 . 1 . . 184 . . 3 ILE HB . 26003 1
26 . 1 1 3 3 ILE HG12 H 1 1.119 0.003 . 2 . . 346 . . 3 ILE HG12 . 26003 1
27 . 1 1 3 3 ILE HG13 H 1 1.409 0.003 . 2 . . 347 . . 3 ILE HG13 . 26003 1
28 . 1 1 3 3 ILE HG21 H 1 0.820 0.003 . 1 . . 247 . . 3 ILE HG21 . 26003 1
29 . 1 1 3 3 ILE HG22 H 1 0.820 0.003 . 1 . . 247 . . 3 ILE HG22 . 26003 1
30 . 1 1 3 3 ILE HG23 H 1 0.820 0.003 . 1 . . 247 . . 3 ILE HG23 . 26003 1
31 . 1 1 3 3 ILE HD11 H 1 0.777 0.002 . 1 . . 345 . . 3 ILE HD11 . 26003 1
32 . 1 1 3 3 ILE HD12 H 1 0.777 0.002 . 1 . . 345 . . 3 ILE HD12 . 26003 1
33 . 1 1 3 3 ILE HD13 H 1 0.777 0.002 . 1 . . 345 . . 3 ILE HD13 . 26003 1
34 . 1 1 3 3 ILE C C 13 176.124 0.008 . 1 . . 87 . . 3 ILE C . 26003 1
35 . 1 1 3 3 ILE CA C 13 61.078 0.025 . 1 . . 86 . . 3 ILE CA . 26003 1
36 . 1 1 3 3 ILE CB C 13 38.485 0.011 . 1 . . 85 . . 3 ILE CB . 26003 1
37 . 1 1 3 3 ILE CG1 C 13 27.322 0.011 . 1 . . 245 . . 3 ILE CG1 . 26003 1
38 . 1 1 3 3 ILE CG2 C 13 17.344 0.011 . 1 . . 246 . . 3 ILE CG2 . 26003 1
39 . 1 1 3 3 ILE CD1 C 13 12.642 0.021 . 1 . . 248 . . 3 ILE CD1 . 26003 1
40 . 1 1 3 3 ILE N N 15 121.967 0.018 . 1 . . 23 . . 3 ILE N . 26003 1
41 . 1 1 4 4 GLU H H 1 8.430 0.008 . 1 . . 47 . . 4 GLU H . 26003 1
42 . 1 1 4 4 GLU HA H 1 4.250 0.003 . 1 . . 314 . . 4 GLU HA . 26003 1
43 . 1 1 4 4 GLU HB2 H 1 1.866 0.003 . 2 . . 63 . . 4 GLU HB2 . 26003 1
44 . 1 1 4 4 GLU HB3 H 1 1.976 0.004 . 2 . . 313 . . 4 GLU HB3 . 26003 1
45 . 1 1 4 4 GLU HG2 H 1 2.212 0.003 . 1 . . 178 . . 4 GLU HG2 . 26003 1
46 . 1 1 4 4 GLU HG3 H 1 2.212 0.003 . 1 . . 177 . . 4 GLU HG3 . 26003 1
47 . 1 1 4 4 GLU C C 13 176.124 0.014 . 1 . . 82 . . 4 GLU C . 26003 1
48 . 1 1 4 4 GLU CA C 13 56.472 0.027 . 1 . . 84 . . 4 GLU CA . 26003 1
49 . 1 1 4 4 GLU CB C 13 30.043 0.022 . 1 . . 83 . . 4 GLU CB . 26003 1
50 . 1 1 4 4 GLU CG C 13 35.591 0.007 . 1 . . 229 . . 4 GLU CG . 26003 1
51 . 1 1 4 4 GLU N N 15 125.313 0.027 . 1 . . 48 . . 4 GLU N . 26003 1
52 . 1 1 5 5 SER H H 1 8.230 0.007 . 1 . . 17 . . 5 SER H . 26003 1
53 . 1 1 5 5 SER HA H 1 4.377 0.003 . 1 . . 296 . . 5 SER HA . 26003 1
54 . 1 1 5 5 SER HB2 H 1 3.764 0.004 . 1 . . 129 . . 5 SER HB2 . 26003 1
55 . 1 1 5 5 SER HB3 H 1 3.764 0.004 . 1 . . 130 . . 5 SER HB3 . 26003 1
56 . 1 1 5 5 SER C C 13 174.195 0.012 . 1 . . 79 . . 5 SER C . 26003 1
57 . 1 1 5 5 SER CA C 13 58.215 0.032 . 1 . . 80 . . 5 SER CA . 26003 1
58 . 1 1 5 5 SER CB C 13 63.800 0.025 . 1 . . 81 . . 5 SER CB . 26003 1
59 . 1 1 5 5 SER N N 15 117.155 0.028 . 1 . . 295 . . 5 SER N . 26003 1
60 . 1 1 6 6 ILE H H 1 8.054 0.008 . 1 . . 13 . . 6 ILE H . 26003 1
61 . 1 1 6 6 ILE HA H 1 4.130 0.004 . 1 . . 138 . . 6 ILE HA . 26003 1
62 . 1 1 6 6 ILE HB H 1 1.803 0.003 . 1 . . 137 . . 6 ILE HB . 26003 1
63 . 1 1 6 6 ILE HG12 H 1 1.108 0.004 . 2 . . 343 . . 6 ILE HG12 . 26003 1
64 . 1 1 6 6 ILE HG13 H 1 1.383 0.003 . 2 . . 344 . . 6 ILE HG13 . 26003 1
65 . 1 1 6 6 ILE HG21 H 1 0.847 0.003 . 1 . . 242 . . 6 ILE HG21 . 26003 1
66 . 1 1 6 6 ILE HG22 H 1 0.847 0.003 . 1 . . 242 . . 6 ILE HG22 . 26003 1
67 . 1 1 6 6 ILE HG23 H 1 0.847 0.003 . 1 . . 242 . . 6 ILE HG23 . 26003 1
68 . 1 1 6 6 ILE HD11 H 1 0.784 0.003 . 1 . . 342 . . 6 ILE HD11 . 26003 1
69 . 1 1 6 6 ILE HD12 H 1 0.784 0.003 . 1 . . 342 . . 6 ILE HD12 . 26003 1
70 . 1 1 6 6 ILE HD13 H 1 0.784 0.003 . 1 . . 342 . . 6 ILE HD13 . 26003 1
71 . 1 1 6 6 ILE C C 13 175.751 0.005 . 1 . . 76 . . 6 ILE C . 26003 1
72 . 1 1 6 6 ILE CA C 13 61.144 0.023 . 1 . . 78 . . 6 ILE CA . 26003 1
73 . 1 1 6 6 ILE CB C 13 38.864 0.038 . 1 . . 77 . . 6 ILE CB . 26003 1
74 . 1 1 6 6 ILE CG1 C 13 27.084 0.013 . 1 . . 241 . . 6 ILE CG1 . 26003 1
75 . 1 1 6 6 ILE CG2 C 13 17.495 0.041 . 1 . . 243 . . 6 ILE CG2 . 26003 1
76 . 1 1 6 6 ILE CD1 C 13 13.029 0.014 . 1 . . 244 . . 6 ILE CD1 . 26003 1
77 . 1 1 6 6 ILE N N 15 122.530 0.035 . 1 . . 14 . . 6 ILE N . 26003 1
78 . 1 1 7 7 ALA H H 1 8.288 0.007 . 1 . . 45 . . 7 ALA H . 26003 1
79 . 1 1 7 7 ALA HA H 1 4.363 0.005 . 1 . . 289 . . 7 ALA HA . 26003 1
80 . 1 1 7 7 ALA HB1 H 1 1.310 0.003 . 1 . . 66 . . 7 ALA HB1 . 26003 1
81 . 1 1 7 7 ALA HB2 H 1 1.310 0.003 . 1 . . 66 . . 7 ALA HB2 . 26003 1
82 . 1 1 7 7 ALA HB3 H 1 1.310 0.003 . 1 . . 66 . . 7 ALA HB3 . 26003 1
83 . 1 1 7 7 ALA C C 13 176.569 0.001 . 1 . . 74 . . 7 ALA C . 26003 1
84 . 1 1 7 7 ALA CA C 13 52.089 0.03 . 1 . . 70 . . 7 ALA CA . 26003 1
85 . 1 1 7 7 ALA CB C 13 19.111 0.038 . 1 . . 69 . . 7 ALA CB . 26003 1
86 . 1 1 7 7 ALA N N 15 128.324 0.042 . 1 . . 46 . . 7 ALA N . 26003 1
87 . 1 1 8 8 CYS H H 1 7.877 0.007 . 1 . . 55 . . 8 CYS H . 26003 1
88 . 1 1 8 8 CYS HA H 1 4.720 0.001 . 1 . . 73 . . 8 CYS HA . 26003 1
89 . 1 1 8 8 CYS HB2 H 1 2.861 0.006 . 2 . . 292 . . 8 CYS HB2 . 26003 1
90 . 1 1 8 8 CYS HB3 H 1 3.130 0.008 . 2 . . 293 . . 8 CYS HB3 . 26003 1
91 . 1 1 8 8 CYS C C 13 173.374 0.009 . 1 . . 75 . . 8 CYS C . 26003 1
92 . 1 1 8 8 CYS CA C 13 54.218 0.02 . 1 . . 71 . . 8 CYS CA . 26003 1
93 . 1 1 8 8 CYS CB C 13 42.154 0.032 . 1 . . 72 . . 8 CYS CB . 26003 1
94 . 1 1 8 8 CYS N N 15 115.591 0.06 . 1 . . 56 . . 8 CYS N . 26003 1
95 . 1 1 9 9 MET H H 1 9.109 0.01 . 1 . . 9 . . 9 MET H . 26003 1
96 . 1 1 9 9 MET HA H 1 4.882 0.006 . 1 . . 156 . . 9 MET HA . 26003 1
97 . 1 1 9 9 MET HB2 H 1 1.955 0.006 . 2 . . 157 . . 9 MET HB2 . 26003 1
98 . 1 1 9 9 MET HB3 H 1 2.288 0.004 . 2 . . 158 . . 9 MET HB3 . 26003 1
99 . 1 1 9 9 MET HG2 H 1 2.613 0.006 . 2 . . 159 . . 9 MET HG2 . 26003 1
100 . 1 1 9 9 MET HG3 H 1 3.035 0.006 . 2 . . 316 . . 9 MET HG3 . 26003 1
101 . 1 1 9 9 MET HE1 H 1 2.068 0.005 . 1 . . 318 . . 9 MET HE1 . 26003 1
102 . 1 1 9 9 MET HE2 H 1 2.068 0.005 . 1 . . 318 . . 9 MET HE2 . 26003 1
103 . 1 1 9 9 MET HE3 H 1 2.068 0.005 . 1 . . 318 . . 9 MET HE3 . 26003 1
104 . 1 1 9 9 MET C C 13 176.934 0.007 . 1 . . 93 . . 9 MET C . 26003 1
105 . 1 1 9 9 MET CA C 13 53.866 0.037 . 1 . . 95 . . 9 MET CA . 26003 1
106 . 1 1 9 9 MET CB C 13 34.470 0.027 . 1 . . 94 . . 9 MET CB . 26003 1
107 . 1 1 9 9 MET CG C 13 32.007 0.017 . 1 . . 160 . . 9 MET CG . 26003 1
108 . 1 1 9 9 MET CE C 13 18.298 0.018 . 1 . . 234 . . 9 MET CE . 26003 1
109 . 1 1 9 9 MET N N 15 117.859 0.023 . 1 . . 10 . . 9 MET N . 26003 1
110 . 1 1 10 10 GLN H H 1 8.124 0.008 . 1 . . 57 . . 10 GLN H . 26003 1
111 . 1 1 10 10 GLN HA H 1 4.327 0.004 . 1 . . 213 . . 10 GLN HA . 26003 1
112 . 1 1 10 10 GLN HB2 H 1 1.903 0.002 . 2 . . 169 . . 10 GLN HB2 . 26003 1
113 . 1 1 10 10 GLN HB3 H 1 2.318 0.003 . 2 . . 170 . . 10 GLN HB3 . 26003 1
114 . 1 1 10 10 GLN HG2 H 1 2.462 0.004 . 2 . . 320 . . 10 GLN HG2 . 26003 1
115 . 1 1 10 10 GLN HG3 H 1 2.517 0.003 . 2 . . 321 . . 10 GLN HG3 . 26003 1
116 . 1 1 10 10 GLN HE21 H 1 7.535 0.006 . 1 . . 26 . . 10 GLN HE21 . 26003 1
117 . 1 1 10 10 GLN HE22 H 1 6.808 0.005 . 1 . . 30 . . 10 GLN HE22 . 26003 1
118 . 1 1 10 10 GLN C C 13 172.974 0.019 . 1 . . 98 . . 10 GLN C . 26003 1
119 . 1 1 10 10 GLN CA C 13 55.201 0.012 . 1 . . 96 . . 10 GLN CA . 26003 1
120 . 1 1 10 10 GLN CB C 13 29.807 0.027 . 1 . . 97 . . 10 GLN CB . 26003 1
121 . 1 1 10 10 GLN CG C 13 33.544 0.036 . 1 . . 102 . . 10 GLN CG . 26003 1
122 . 1 1 10 10 GLN CD C 13 180.259 0.001 . 1 . . 103 . . 10 GLN CD . 26003 1
123 . 1 1 10 10 GLN N N 15 123.943 0.026 . 1 . . 58 . . 10 GLN N . 26003 1
124 . 1 1 10 10 GLN NE2 N 15 112.824 0.053 . 1 . . 27 . . 10 GLN NE2 . 26003 1
125 . 1 1 11 11 LYS H H 1 8.267 0.004 . 1 . . 49 . . 11 LYS H . 26003 1
126 . 1 1 11 11 LYS HA H 1 3.526 0.005 . 1 . . 329 . . 11 LYS HA . 26003 1
127 . 1 1 11 11 LYS HB2 H 1 1.496 0.003 . 2 . . 332 . . 11 LYS HB2 . 26003 1
128 . 1 1 11 11 LYS HB3 H 1 1.787 0.002 . 2 . . 335 . . 11 LYS HB3 . 26003 1
129 . 1 1 11 11 LYS HG2 H 1 1.078 0.003 . 2 . . 330 . . 11 LYS HG2 . 26003 1
130 . 1 1 11 11 LYS HG3 H 1 1.146 0.002 . 2 . . 331 . . 11 LYS HG3 . 26003 1
131 . 1 1 11 11 LYS HD2 H 1 1.568 0.004 . 2 . . 333 . . 11 LYS HD2 . 26003 1
132 . 1 1 11 11 LYS HD3 H 1 1.652 0.003 . 2 . . 334 . . 11 LYS HD3 . 26003 1
133 . 1 1 11 11 LYS HE2 H 1 2.961 0.002 . 2 . . 336 . . 11 LYS HE2 . 26003 1
134 . 1 1 11 11 LYS HE3 H 1 3.003 0.003 . 2 . . 337 . . 11 LYS HE3 . 26003 1
135 . 1 1 11 11 LYS HZ1 H 1 7.495 0.006 . 1 . . 67 . . 11 LYS HZ1 . 26003 1
136 . 1 1 11 11 LYS HZ2 H 1 7.495 0.006 . 1 . . 67 . . 11 LYS HZ2 . 26003 1
137 . 1 1 11 11 LYS HZ3 H 1 7.495 0.006 . 1 . . 67 . . 11 LYS HZ3 . 26003 1
138 . 1 1 11 11 LYS C C 13 177.296 0.018 . 1 . . 99 . . 11 LYS C . 26003 1
139 . 1 1 11 11 LYS CA C 13 58.665 0.018 . 1 . . 101 . . 11 LYS CA . 26003 1
140 . 1 1 11 11 LYS CB C 13 32.942 0.031 . 1 . . 100 . . 11 LYS CB . 26003 1
141 . 1 1 11 11 LYS CG C 13 23.972 0.003 . 1 . . 196 . . 11 LYS CG . 26003 1
142 . 1 1 11 11 LYS CD C 13 29.779 0.008 . 1 . . 195 . . 11 LYS CD . 26003 1
143 . 1 1 11 11 LYS CE C 13 42.050 0.007 . 1 . . 194 . . 11 LYS CE . 26003 1
144 . 1 1 11 11 LYS N N 15 118.817 0.049 . 1 . . 50 . . 11 LYS N . 26003 1
145 . 1 1 11 11 LYS NZ N 15 32.610 0.009 . 1 . . 68 . . 11 LYS NZ . 26003 1
146 . 1 1 12 12 GLY H H 1 9.436 0.007 . 1 . . 20 . . 12 GLY H . 26003 1
147 . 1 1 12 12 GLY HA2 H 1 3.619 0.006 . 2 . . 290 . . 12 GLY HA2 . 26003 1
148 . 1 1 12 12 GLY HA3 H 1 4.147 0.004 . 2 . . 291 . . 12 GLY HA3 . 26003 1
149 . 1 1 12 12 GLY C C 13 173.552 0.019 . 1 . . 116 . . 12 GLY C . 26003 1
150 . 1 1 12 12 GLY CA C 13 44.979 0.02 . 1 . . 112 . . 12 GLY CA . 26003 1
151 . 1 1 12 12 GLY N N 15 113.396 0.029 . 1 . . 21 . . 12 GLY N . 26003 1
152 . 1 1 13 13 LEU H H 1 7.574 0.01 . 1 . . 5 . . 13 LEU H . 26003 1
153 . 1 1 13 13 LEU HA H 1 4.864 0.003 . 1 . . 207 . . 13 LEU HA . 26003 1
154 . 1 1 13 13 LEU HB2 H 1 2.008 0.003 . 2 . . 139 . . 13 LEU HB2 . 26003 1
155 . 1 1 13 13 LEU HB3 H 1 1.692 0.005 . 2 . . 348 . . 13 LEU HB3 . 26003 1
156 . 1 1 13 13 LEU HG H 1 1.724 0.004 . 1 . . 254 . . 13 LEU HG . 26003 1
157 . 1 1 13 13 LEU HD11 H 1 0.878 0.007 . 2 . . 349 . . 13 LEU HD11 . 26003 1
158 . 1 1 13 13 LEU HD12 H 1 0.878 0.007 . 2 . . 349 . . 13 LEU HD12 . 26003 1
159 . 1 1 13 13 LEU HD13 H 1 0.878 0.007 . 2 . . 349 . . 13 LEU HD13 . 26003 1
160 . 1 1 13 13 LEU HD21 H 1 0.989 0.003 . 2 . . 350 . . 13 LEU HD21 . 26003 1
161 . 1 1 13 13 LEU HD22 H 1 0.989 0.003 . 2 . . 350 . . 13 LEU HD22 . 26003 1
162 . 1 1 13 13 LEU HD23 H 1 0.989 0.003 . 2 . . 350 . . 13 LEU HD23 . 26003 1
163 . 1 1 13 13 LEU C C 13 173.727 . . 1 . . 115 . . 13 LEU C . 26003 1
164 . 1 1 13 13 LEU CA C 13 52.748 0.044 . 1 . . 114 . . 13 LEU CA . 26003 1
165 . 1 1 13 13 LEU CB C 13 40.034 0.03 . 1 . . 113 . . 13 LEU CB . 26003 1
166 . 1 1 13 13 LEU CG C 13 28.301 0.055 . 1 . . 255 . . 13 LEU CG . 26003 1
167 . 1 1 13 13 LEU CD1 C 13 22.836 0.057 . 2 . . 252 . . 13 LEU CD1 . 26003 1
168 . 1 1 13 13 LEU CD2 C 13 25.528 0.047 . 2 . . 253 . . 13 LEU CD2 . 26003 1
169 . 1 1 13 13 LEU N N 15 123.385 0.028 . 1 . . 6 . . 13 LEU N . 26003 1
170 . 1 1 14 14 PRO HA H 1 4.476 0.003 . 1 . . 328 . . 14 PRO HA . 26003 1
171 . 1 1 14 14 PRO HB2 H 1 1.622 0.004 . 2 . . 322 . . 14 PRO HB2 . 26003 1
172 . 1 1 14 14 PRO HB3 H 1 2.112 0.002 . 2 . . 323 . . 14 PRO HB3 . 26003 1
173 . 1 1 14 14 PRO HG2 H 1 1.915 0.004 . 2 . . 324 . . 14 PRO HG2 . 26003 1
174 . 1 1 14 14 PRO HG3 H 1 2.011 0.005 . 2 . . 325 . . 14 PRO HG3 . 26003 1
175 . 1 1 14 14 PRO HD2 H 1 3.599 0.004 . 2 . . 326 . . 14 PRO HD2 . 26003 1
176 . 1 1 14 14 PRO HD3 H 1 3.928 0.004 . 2 . . 327 . . 14 PRO HD3 . 26003 1
177 . 1 1 14 14 PRO C C 13 174.875 . . 1 . . 220 . . 14 PRO C . 26003 1
178 . 1 1 14 14 PRO CA C 13 62.899 0.048 . 1 . . 168 . . 14 PRO CA . 26003 1
179 . 1 1 14 14 PRO CB C 13 32.786 0.028 . 1 . . 167 . . 14 PRO CB . 26003 1
180 . 1 1 14 14 PRO CG C 13 27.917 0.021 . 1 . . 235 . . 14 PRO CG . 26003 1
181 . 1 1 14 14 PRO CD C 13 51.038 0.036 . 1 . . 227 . . 14 PRO CD . 26003 1
182 . 1 1 15 15 CYS H H 1 7.766 0.008 . 1 . . 1 . . 15 CYS H . 26003 1
183 . 1 1 15 15 CYS HA H 1 4.555 0.004 . 1 . . 262 . . 15 CYS HA . 26003 1
184 . 1 1 15 15 CYS HB2 H 1 2.976 0.006 . 2 . . 310 . . 15 CYS HB2 . 26003 1
185 . 1 1 15 15 CYS HB3 H 1 3.022 0.004 . 2 . . 311 . . 15 CYS HB3 . 26003 1
186 . 1 1 15 15 CYS C C 13 172.360 0.042 . 1 . . 133 . . 15 CYS C . 26003 1
187 . 1 1 15 15 CYS CA C 13 53.543 0.045 . 1 . . 123 . . 15 CYS CA . 26003 1
188 . 1 1 15 15 CYS CB C 13 47.719 0.033 . 1 . . 122 . . 15 CYS CB . 26003 1
189 . 1 1 15 15 CYS N N 15 114.567 0.051 . 1 . . 2 . . 15 CYS N . 26003 1
190 . 1 1 16 16 MET H H 1 8.910 0.008 . 1 . . 24 . . 16 MET H . 26003 1
191 . 1 1 16 16 MET HA H 1 4.509 0.007 . 1 . . 134 . . 16 MET HA . 26003 1
192 . 1 1 16 16 MET HB2 H 1 1.944 0.003 . 2 . . 171 . . 16 MET HB2 . 26003 1
193 . 1 1 16 16 MET HB3 H 1 1.911 0.002 . 2 . . 319 . . 16 MET HB3 . 26003 1
194 . 1 1 16 16 MET HG2 H 1 2.328 0.005 . 2 . . 172 . . 16 MET HG2 . 26003 1
195 . 1 1 16 16 MET HG3 H 1 2.446 0.003 . 2 . . 173 . . 16 MET HG3 . 26003 1
196 . 1 1 16 16 MET HE1 H 1 1.969 0.005 . 1 . . 317 . . 16 MET HE1 . 26003 1
197 . 1 1 16 16 MET HE2 H 1 1.969 0.005 . 1 . . 317 . . 16 MET HE2 . 26003 1
198 . 1 1 16 16 MET HE3 H 1 1.969 0.005 . 1 . . 317 . . 16 MET HE3 . 26003 1
199 . 1 1 16 16 MET C C 13 175.754 . . 1 . . 136 . . 16 MET C . 26003 1
200 . 1 1 16 16 MET CA C 13 55.834 0.047 . 1 . . 131 . . 16 MET CA . 26003 1
201 . 1 1 16 16 MET CB C 13 34.827 0.019 . 1 . . 132 . . 16 MET CB . 26003 1
202 . 1 1 16 16 MET CG C 13 32.300 0.014 . 1 . . 174 . . 16 MET CG . 26003 1
203 . 1 1 16 16 MET CE C 13 16.684 0.016 . 1 . . 233 . . 16 MET CE . 26003 1
204 . 1 1 16 16 MET N N 15 116.714 0.002 . 1 . . 25 . . 16 MET N . 26003 1
205 . 1 1 17 17 GLU H H 1 7.994 0.008 . 1 . . 35 . . 17 GLU H . 26003 1
206 . 1 1 17 17 GLU HA H 1 4.510 0.005 . 1 . . 64 . . 17 GLU HA . 26003 1
207 . 1 1 17 17 GLU HB2 H 1 1.609 0.006 . 1 . . 231 . . 17 GLU HB2 . 26003 1
208 . 1 1 17 17 GLU HB3 H 1 1.609 0.006 . 1 . . 230 . . 17 GLU HB3 . 26003 1
209 . 1 1 17 17 GLU HG2 H 1 2.168 0.004 . 2 . . 175 . . 17 GLU HG2 . 26003 1
210 . 1 1 17 17 GLU HG3 H 1 2.107 0.005 . 2 . . 315 . . 17 GLU HG3 . 26003 1
211 . 1 1 17 17 GLU C C 13 175.396 . . 1 . . 271 . . 17 GLU C . 26003 1
212 . 1 1 17 17 GLU CA C 13 53.378 0.012 . 1 . . 135 . . 17 GLU CA . 26003 1
213 . 1 1 17 17 GLU CB C 13 33.047 0.015 . 1 . . 232 . . 17 GLU CB . 26003 1
214 . 1 1 17 17 GLU CG C 13 34.486 0.014 . 1 . . 176 . . 17 GLU CG . 26003 1
215 . 1 1 17 17 GLU N N 15 118.189 0.038 . 1 . . 36 . . 17 GLU N . 26003 1
216 . 1 1 18 18 HIS H H 1 7.917 0.008 . 1 . . 212 . . 18 HIS H . 26003 1
217 . 1 1 18 18 HIS HA H 1 4.190 0.004 . 1 . . 210 . . 18 HIS HA . 26003 1
218 . 1 1 18 18 HIS HB2 H 1 2.926 0.004 . 2 . . 268 . . 18 HIS HB2 . 26003 1
219 . 1 1 18 18 HIS HB3 H 1 3.264 0.005 . 2 . . 269 . . 18 HIS HB3 . 26003 1
220 . 1 1 18 18 HIS HD2 H 1 7.108 0.005 . 1 . . 218 . . 18 HIS HD2 . 26003 1
221 . 1 1 18 18 HIS HE1 H 1 7.888 0.003 . 1 . . 216 . . 18 HIS HE1 . 26003 1
222 . 1 1 18 18 HIS C C 13 178.183 . . 1 . . 206 . . 18 HIS C . 26003 1
223 . 1 1 18 18 HIS CA C 13 60.510 0.049 . 1 . . 211 . . 18 HIS CA . 26003 1
224 . 1 1 18 18 HIS CB C 13 30.335 0.047 . 1 . . 226 . . 18 HIS CB . 26003 1
225 . 1 1 18 18 HIS CD2 C 13 118.592 . . 1 . . 219 . . 18 HIS CD2 . 26003 1
226 . 1 1 18 18 HIS CE1 C 13 139.787 . . 1 . . 217 . . 18 HIS CE1 . 26003 1
227 . 1 1 18 18 HIS N N 15 122.893 0.005 . 1 . . 270 . . 18 HIS N . 26003 1
228 . 1 1 19 19 VAL H H 1 7.487 0.01 . 1 . . 39 . . 19 VAL H . 26003 1
229 . 1 1 19 19 VAL HA H 1 4.059 0.003 . 1 . . 62 . . 19 VAL HA . 26003 1
230 . 1 1 19 19 VAL HB H 1 2.208 0.004 . 1 . . 302 . . 19 VAL HB . 26003 1
231 . 1 1 19 19 VAL HG11 H 1 0.889 0.005 . 2 . . 300 . . 19 VAL HG11 . 26003 1
232 . 1 1 19 19 VAL HG12 H 1 0.889 0.005 . 2 . . 300 . . 19 VAL HG12 . 26003 1
233 . 1 1 19 19 VAL HG13 H 1 0.889 0.005 . 2 . . 300 . . 19 VAL HG13 . 26003 1
234 . 1 1 19 19 VAL HG21 H 1 0.898 0.003 . 2 . . 301 . . 19 VAL HG21 . 26003 1
235 . 1 1 19 19 VAL HG22 H 1 0.898 0.003 . 2 . . 301 . . 19 VAL HG22 . 26003 1
236 . 1 1 19 19 VAL HG23 H 1 0.898 0.003 . 2 . . 301 . . 19 VAL HG23 . 26003 1
237 . 1 1 19 19 VAL C C 13 175.999 0.038 . 1 . . 204 . . 19 VAL C . 26003 1
238 . 1 1 19 19 VAL CA C 13 63.040 0.052 . 1 . . 154 . . 19 VAL CA . 26003 1
239 . 1 1 19 19 VAL CB C 13 31.595 0.051 . 1 . . 236 . . 19 VAL CB . 26003 1
240 . 1 1 19 19 VAL CG1 C 13 20.014 0.006 . 2 . . 237 . . 19 VAL CG1 . 26003 1
241 . 1 1 19 19 VAL CG2 C 13 20.389 0.07 . 2 . . 238 . . 19 VAL CG2 . 26003 1
242 . 1 1 19 19 VAL N N 15 109.681 0.02 . 1 . . 40 . . 19 VAL N . 26003 1
243 . 1 1 20 20 ASP H H 1 7.677 0.013 . 1 . . 41 . . 20 ASP H . 26003 1
244 . 1 1 20 20 ASP HA H 1 4.354 0.004 . 1 . . 197 . . 20 ASP HA . 26003 1
245 . 1 1 20 20 ASP HB2 H 1 2.740 0.011 . 2 . . 198 . . 20 ASP HB2 . 26003 1
246 . 1 1 20 20 ASP HB3 H 1 2.966 0.007 . 2 . . 199 . . 20 ASP HB3 . 26003 1
247 . 1 1 20 20 ASP C C 13 177.457 0.041 . 1 . . 205 . . 20 ASP C . 26003 1
248 . 1 1 20 20 ASP CA C 13 56.242 0.029 . 1 . . 209 . . 20 ASP CA . 26003 1
249 . 1 1 20 20 ASP CB C 13 41.769 0.048 . 1 . . 200 . . 20 ASP CB . 26003 1
250 . 1 1 20 20 ASP N N 15 120.154 0.055 . 1 . . 42 . . 20 ASP N . 26003 1
251 . 1 1 21 21 CYS H H 1 7.843 0.014 . 1 . . 53 . . 21 CYS H . 26003 1
252 . 1 1 21 21 CYS HA H 1 5.070 0.008 . 1 . . 182 . . 21 CYS HA . 26003 1
253 . 1 1 21 21 CYS HB2 H 1 3.578 0.007 . 2 . . 181 . . 21 CYS HB2 . 26003 1
254 . 1 1 21 21 CYS HB3 H 1 2.709 0.004 . 2 . . 312 . . 21 CYS HB3 . 26003 1
255 . 1 1 21 21 CYS C C 13 176.411 0.005 . 1 . . 193 . . 21 CYS C . 26003 1
256 . 1 1 21 21 CYS CA C 13 54.252 0.052 . 1 . . 189 . . 21 CYS CA . 26003 1
257 . 1 1 21 21 CYS CB C 13 39.756 0.04 . 1 . . 180 . . 21 CYS CB . 26003 1
258 . 1 1 21 21 CYS N N 15 116.632 0.053 . 1 . . 54 . . 21 CYS N . 26003 1
259 . 1 1 22 22 CYS H H 1 9.733 0.004 . 1 . . 51 . . 22 CYS H . 26003 1
260 . 1 1 22 22 CYS HA H 1 4.354 0.004 . 1 . . 65 . . 22 CYS HA . 26003 1
261 . 1 1 22 22 CYS HB2 H 1 2.314 0.004 . 2 . . 187 . . 22 CYS HB2 . 26003 1
262 . 1 1 22 22 CYS HB3 H 1 2.908 0.005 . 2 . . 188 . . 22 CYS HB3 . 26003 1
263 . 1 1 22 22 CYS C C 13 176.512 . . 1 . . 203 . . 22 CYS C . 26003 1
264 . 1 1 22 22 CYS CA C 13 56.860 0.032 . 1 . . 185 . . 22 CYS CA . 26003 1
265 . 1 1 22 22 CYS CB C 13 38.289 0.024 . 1 . . 186 . . 22 CYS CB . 26003 1
266 . 1 1 22 22 CYS N N 15 127.308 0.034 . 1 . . 52 . . 22 CYS N . 26003 1
267 . 1 1 23 23 HIS H H 1 9.143 0.008 . 1 . . 11 . . 23 HIS H . 26003 1
268 . 1 1 23 23 HIS HA H 1 4.855 0.004 . 1 . . 274 . . 23 HIS HA . 26003 1
269 . 1 1 23 23 HIS HB2 H 1 2.786 0.003 . 2 . . 272 . . 23 HIS HB2 . 26003 1
270 . 1 1 23 23 HIS HB3 H 1 3.485 0.004 . 2 . . 273 . . 23 HIS HB3 . 26003 1
271 . 1 1 23 23 HIS HD2 H 1 7.290 0.004 . 1 . . 276 . . 23 HIS HD2 . 26003 1
272 . 1 1 23 23 HIS HE1 H 1 8.548 0.003 . 1 . . 275 . . 23 HIS HE1 . 26003 1
273 . 1 1 23 23 HIS C C 13 175.931 0.052 . 1 . . 202 . . 23 HIS C . 26003 1
274 . 1 1 23 23 HIS CA C 13 54.650 0.028 . 1 . . 183 . . 23 HIS CA . 26003 1
275 . 1 1 23 23 HIS CB C 13 28.101 0.046 . 1 . . 161 . . 23 HIS CB . 26003 1
276 . 1 1 23 23 HIS CD2 C 13 119.450 . . 1 . . 215 . . 23 HIS CD2 . 26003 1
277 . 1 1 23 23 HIS CE1 C 13 136.169 . . 1 . . 214 . . 23 HIS CE1 . 26003 1
278 . 1 1 23 23 HIS N N 15 113.422 0.037 . 1 . . 12 . . 23 HIS N . 26003 1
279 . 1 1 24 24 GLY H H 1 7.420 0.007 . 1 . . 18 . . 24 GLY H . 26003 1
280 . 1 1 24 24 GLY HA2 H 1 3.841 0.003 . 1 . . 264 . . 24 GLY HA2 . 26003 1
281 . 1 1 24 24 GLY HA3 H 1 3.844 0.008 . 1 . . 263 . . 24 GLY HA3 . 26003 1
282 . 1 1 24 24 GLY C C 13 173.518 . . 1 . . 127 . . 24 GLY C . 26003 1
283 . 1 1 24 24 GLY CA C 13 47.148 0.019 . 1 . . 124 . . 24 GLY CA . 26003 1
284 . 1 1 24 24 GLY N N 15 103.912 0.006 . 1 . . 19 . . 24 GLY N . 26003 1
285 . 1 1 25 25 VAL H H 1 7.744 0.008 . 1 . . 43 . . 25 VAL H . 26003 1
286 . 1 1 25 25 VAL HA H 1 4.620 0.004 . 1 . . 306 . . 25 VAL HA . 26003 1
287 . 1 1 25 25 VAL HB H 1 2.032 0.003 . 1 . . 305 . . 25 VAL HB . 26003 1
288 . 1 1 25 25 VAL HG11 H 1 0.857 0.003 . 2 . . 303 . . 25 VAL HG11 . 26003 1
289 . 1 1 25 25 VAL HG12 H 1 0.857 0.003 . 2 . . 303 . . 25 VAL HG12 . 26003 1
290 . 1 1 25 25 VAL HG13 H 1 0.857 0.003 . 2 . . 303 . . 25 VAL HG13 . 26003 1
291 . 1 1 25 25 VAL HG21 H 1 0.923 0.004 . 2 . . 304 . . 25 VAL HG21 . 26003 1
292 . 1 1 25 25 VAL HG22 H 1 0.923 0.004 . 2 . . 304 . . 25 VAL HG22 . 26003 1
293 . 1 1 25 25 VAL HG23 H 1 0.923 0.004 . 2 . . 304 . . 25 VAL HG23 . 26003 1
294 . 1 1 25 25 VAL C C 13 174.766 . . 1 . . 128 . . 25 VAL C . 26003 1
295 . 1 1 25 25 VAL CA C 13 61.625 0.056 . 1 . . 126 . . 25 VAL CA . 26003 1
296 . 1 1 25 25 VAL CB C 13 34.454 0.04 . 1 . . 125 . . 25 VAL CB . 26003 1
297 . 1 1 25 25 VAL CG1 C 13 22.165 0.057 . 2 . . 240 . . 25 VAL CG1 . 26003 1
298 . 1 1 25 25 VAL CG2 C 13 20.189 0.037 . 2 . . 239 . . 25 VAL CG2 . 26003 1
299 . 1 1 25 25 VAL N N 15 116.860 0.034 . 1 . . 44 . . 25 VAL N . 26003 1
300 . 1 1 26 26 CYS HA H 1 4.901 0.003 . 1 . . 279 . . 26 CYS HA . 26003 1
301 . 1 1 26 26 CYS HB2 H 1 2.587 0.009 . 2 . . 277 . . 26 CYS HB2 . 26003 1
302 . 1 1 26 26 CYS HB3 H 1 2.654 0.002 . 2 . . 278 . . 26 CYS HB3 . 26003 1
303 . 1 1 26 26 CYS C C 13 173.219 0.013 . 1 . . 109 . . 26 CYS C . 26003 1
304 . 1 1 26 26 CYS CA C 13 55.324 0.045 . 1 . . 110 . . 26 CYS CA . 26003 1
305 . 1 1 26 26 CYS CB C 13 40.279 0.009 . 1 . . 111 . . 26 CYS CB . 26003 1
306 . 1 1 27 27 ASP H H 1 8.779 0.011 . 1 . . 7 . . 27 ASP H . 26003 1
307 . 1 1 27 27 ASP HA H 1 4.935 0.003 . 1 . . 163 . . 27 ASP HA . 26003 1
308 . 1 1 27 27 ASP HB2 H 1 2.766 0.003 . 2 . . 162 . . 27 ASP HB2 . 26003 1
309 . 1 1 27 27 ASP HB3 H 1 2.315 0.007 . 2 . . 297 . . 27 ASP HB3 . 26003 1
310 . 1 1 27 27 ASP C C 13 174.619 0.001 . 1 . . 108 . . 27 ASP C . 26003 1
311 . 1 1 27 27 ASP CA C 13 53.434 0.045 . 1 . . 105 . . 27 ASP CA . 26003 1
312 . 1 1 27 27 ASP CB C 13 45.213 0.048 . 1 . . 104 . . 27 ASP CB . 26003 1
313 . 1 1 27 27 ASP N N 15 129.144 0.006 . 1 . . 8 . . 27 ASP N . 26003 1
314 . 1 1 28 28 SER H H 1 8.974 0.008 . 1 . . 31 . . 28 SER H . 26003 1
315 . 1 1 28 28 SER HA H 1 3.848 0.004 . 1 . . 146 . . 28 SER HA . 26003 1
316 . 1 1 28 28 SER HB2 H 1 3.975 0.004 . 1 . . 148 . . 28 SER HB2 . 26003 1
317 . 1 1 28 28 SER HB3 H 1 3.975 0.004 . 1 . . 147 . . 28 SER HB3 . 26003 1
318 . 1 1 28 28 SER C C 13 174.036 0.014 . 1 . . 153 . . 28 SER C . 26003 1
319 . 1 1 28 28 SER CA C 13 58.879 0.048 . 1 . . 106 . . 28 SER CA . 26003 1
320 . 1 1 28 28 SER CB C 13 61.798 0.043 . 1 . . 107 . . 28 SER CB . 26003 1
321 . 1 1 28 28 SER N N 15 121.156 0.033 . 1 . . 32 . . 28 SER N . 26003 1
322 . 1 1 29 29 LEU H H 1 7.930 0.008 . 1 . . 3 . . 29 LEU H . 26003 1
323 . 1 1 29 29 LEU HA H 1 3.717 0.004 . 1 . . 59 . . 29 LEU HA . 26003 1
324 . 1 1 29 29 LEU HB2 H 1 1.444 0.003 . 2 . . 60 . . 29 LEU HB2 . 26003 1
325 . 1 1 29 29 LEU HB3 H 1 1.923 0.003 . 2 . . 61 . . 29 LEU HB3 . 26003 1
326 . 1 1 29 29 LEU HG H 1 1.271 0.006 . 1 . . 256 . . 29 LEU HG . 26003 1
327 . 1 1 29 29 LEU HD11 H 1 0.781 0.003 . 2 . . 351 . . 29 LEU HD11 . 26003 1
328 . 1 1 29 29 LEU HD12 H 1 0.781 0.003 . 2 . . 351 . . 29 LEU HD12 . 26003 1
329 . 1 1 29 29 LEU HD13 H 1 0.781 0.003 . 2 . . 351 . . 29 LEU HD13 . 26003 1
330 . 1 1 29 29 LEU HD21 H 1 0.780 0.002 . 2 . . 352 . . 29 LEU HD21 . 26003 1
331 . 1 1 29 29 LEU HD22 H 1 0.780 0.002 . 2 . . 352 . . 29 LEU HD22 . 26003 1
332 . 1 1 29 29 LEU HD23 H 1 0.780 0.002 . 2 . . 352 . . 29 LEU HD23 . 26003 1
333 . 1 1 29 29 LEU C C 13 176.489 0.012 . 1 . . 121 . . 29 LEU C . 26003 1
334 . 1 1 29 29 LEU CA C 13 56.989 0.05 . 1 . . 120 . . 29 LEU CA . 26003 1
335 . 1 1 29 29 LEU CB C 13 37.962 0.028 . 1 . . 119 . . 29 LEU CB . 26003 1
336 . 1 1 29 29 LEU CG C 13 26.800 0.009 . 1 . . 257 . . 29 LEU CG . 26003 1
337 . 1 1 29 29 LEU CD1 C 13 25.678 0.006 . 2 . . 259 . . 29 LEU CD1 . 26003 1
338 . 1 1 29 29 LEU CD2 C 13 22.563 0.056 . 2 . . 258 . . 29 LEU CD2 . 26003 1
339 . 1 1 29 29 LEU N N 15 107.564 0.016 . 1 . . 4 . . 29 LEU N . 26003 1
340 . 1 1 30 30 PHE H H 1 7.630 0.009 . 1 . . 15 . . 30 PHE H . 26003 1
341 . 1 1 30 30 PHE HA H 1 5.087 0.003 . 1 . . 151 . . 30 PHE HA . 26003 1
342 . 1 1 30 30 PHE HB2 H 1 2.521 0.004 . 2 . . 149 . . 30 PHE HB2 . 26003 1
343 . 1 1 30 30 PHE HB3 H 1 2.614 0.003 . 2 . . 150 . . 30 PHE HB3 . 26003 1
344 . 1 1 30 30 PHE HD1 H 1 7.046 0.002 . 1 . . 308 . . 30 PHE HD1 . 26003 1
345 . 1 1 30 30 PHE HD2 H 1 7.046 0.002 . 1 . . 308 . . 30 PHE HD2 . 26003 1
346 . 1 1 30 30 PHE HE1 H 1 7.216 0.001 . 1 . . 307 . . 30 PHE HE1 . 26003 1
347 . 1 1 30 30 PHE HE2 H 1 7.216 0.001 . 1 . . 307 . . 30 PHE HE2 . 26003 1
348 . 1 1 30 30 PHE HZ H 1 7.174 0.001 . 1 . . 309 . . 30 PHE HZ . 26003 1
349 . 1 1 30 30 PHE C C 13 177.461 0.018 . 1 . . 152 . . 30 PHE C . 26003 1
350 . 1 1 30 30 PHE CA C 13 57.505 0.059 . 1 . . 117 . . 30 PHE CA . 26003 1
351 . 1 1 30 30 PHE CB C 13 43.952 0.047 . 1 . . 118 . . 30 PHE CB . 26003 1
352 . 1 1 30 30 PHE CD1 C 13 132.667 . . 1 . . 225 . . 30 PHE CD1 . 26003 1
353 . 1 1 30 30 PHE CD2 C 13 132.667 . . 1 . . 225 . . 30 PHE CD2 . 26003 1
354 . 1 1 30 30 PHE CE1 C 13 130.610 . . 1 . . 224 . . 30 PHE CE1 . 26003 1
355 . 1 1 30 30 PHE CE2 C 13 130.610 . . 1 . . 224 . . 30 PHE CE2 . 26003 1
356 . 1 1 30 30 PHE CZ C 13 129.351 . . 1 . . 223 . . 30 PHE CZ . 26003 1
357 . 1 1 30 30 PHE N N 15 116.360 0.032 . 1 . . 16 . . 30 PHE N . 26003 1
358 . 1 1 31 31 CYS H H 1 9.089 0.007 . 1 . . 28 . . 31 CYS H . 26003 1
359 . 1 1 31 31 CYS HA H 1 5.104 0.006 . 1 . . 166 . . 31 CYS HA . 26003 1
360 . 1 1 31 31 CYS HB2 H 1 3.049 0.005 . 2 . . 164 . . 31 CYS HB2 . 26003 1
361 . 1 1 31 31 CYS HB3 H 1 2.955 0.007 . 2 . . 165 . . 31 CYS HB3 . 26003 1
362 . 1 1 31 31 CYS C C 13 176.647 0.03 . 1 . . 145 . . 31 CYS C . 26003 1
363 . 1 1 31 31 CYS CA C 13 55.478 0.045 . 1 . . 144 . . 31 CYS CA . 26003 1
364 . 1 1 31 31 CYS CB C 13 37.679 0.052 . 1 . . 142 . . 31 CYS CB . 26003 1
365 . 1 1 31 31 CYS N N 15 121.396 0.038 . 1 . . 29 . . 31 CYS N . 26003 1
366 . 1 1 32 32 LEU H H 1 8.212 0.008 . 1 . . 33 . . 32 LEU H . 26003 1
367 . 1 1 32 32 LEU HA H 1 4.022 0.004 . 1 . . 208 . . 32 LEU HA . 26003 1
368 . 1 1 32 32 LEU HB2 H 1 1.168 0.003 . 2 . . 338 . . 32 LEU HB2 . 26003 1
369 . 1 1 32 32 LEU HB3 H 1 1.246 0.005 . 2 . . 339 . . 32 LEU HB3 . 26003 1
370 . 1 1 32 32 LEU HG H 1 0.600 0.006 . 1 . . 341 . . 32 LEU HG . 26003 1
371 . 1 1 32 32 LEU HD11 H 1 0.633 0.002 . 2 . . 140 . . 32 LEU HD11 . 26003 1
372 . 1 1 32 32 LEU HD12 H 1 0.633 0.002 . 2 . . 140 . . 32 LEU HD12 . 26003 1
373 . 1 1 32 32 LEU HD13 H 1 0.633 0.002 . 2 . . 140 . . 32 LEU HD13 . 26003 1
374 . 1 1 32 32 LEU HD21 H 1 0.763 0.002 . 2 . . 340 . . 32 LEU HD21 . 26003 1
375 . 1 1 32 32 LEU HD22 H 1 0.763 0.002 . 2 . . 340 . . 32 LEU HD22 . 26003 1
376 . 1 1 32 32 LEU HD23 H 1 0.763 0.002 . 2 . . 340 . . 32 LEU HD23 . 26003 1
377 . 1 1 32 32 LEU C C 13 174.689 . . 1 . . 228 . . 32 LEU C . 26003 1
378 . 1 1 32 32 LEU CA C 13 57.593 0.067 . 1 . . 143 . . 32 LEU CA . 26003 1
379 . 1 1 32 32 LEU CB C 13 44.237 0.014 . 1 . . 141 . . 32 LEU CB . 26003 1
380 . 1 1 32 32 LEU CG C 13 26.470 0.018 . 1 . . 265 . . 32 LEU CG . 26003 1
381 . 1 1 32 32 LEU CD1 C 13 25.947 0.031 . 2 . . 261 . . 32 LEU CD1 . 26003 1
382 . 1 1 32 32 LEU CD2 C 13 22.419 0.049 . 2 . . 260 . . 32 LEU CD2 . 26003 1
383 . 1 1 32 32 LEU N N 15 131.050 0.004 . 1 . . 34 . . 32 LEU N . 26003 1
384 . 1 1 33 33 TYR H H 1 7.076 0.009 . 1 . . 37 . . 33 TYR H . 26003 1
385 . 1 1 33 33 TYR HA H 1 4.499 0.004 . 1 . . 155 . . 33 TYR HA . 26003 1
386 . 1 1 33 33 TYR HB2 H 1 3.124 0.007 . 2 . . 190 . . 33 TYR HB2 . 26003 1
387 . 1 1 33 33 TYR HB3 H 1 2.535 0.008 . 2 . . 191 . . 33 TYR HB3 . 26003 1
388 . 1 1 33 33 TYR HD1 H 1 6.951 0.003 . 1 . . 298 . . 33 TYR HD1 . 26003 1
389 . 1 1 33 33 TYR HD2 H 1 6.951 0.003 . 1 . . 298 . . 33 TYR HD2 . 26003 1
390 . 1 1 33 33 TYR HE1 H 1 6.740 0.007 . 1 . . 299 . . 33 TYR HE1 . 26003 1
391 . 1 1 33 33 TYR HE2 H 1 6.740 0.007 . 1 . . 299 . . 33 TYR HE2 . 26003 1
392 . 1 1 33 33 TYR CA C 13 56.654 0.047 . 1 . . 192 . . 33 TYR CA . 26003 1
393 . 1 1 33 33 TYR CB C 13 40.927 0.025 . 1 . . 179 . . 33 TYR CB . 26003 1
394 . 1 1 33 33 TYR CD1 C 13 132.758 . . 1 . . 222 . . 33 TYR CD1 . 26003 1
395 . 1 1 33 33 TYR CD2 C 13 132.758 . . 1 . . 222 . . 33 TYR CD2 . 26003 1
396 . 1 1 33 33 TYR CE1 C 13 118.040 . . 1 . . 221 . . 33 TYR CE1 . 26003 1
397 . 1 1 33 33 TYR CE2 C 13 118.040 . . 1 . . 221 . . 33 TYR CE2 . 26003 1
398 . 1 1 33 33 TYR N N 15 118.258 0.028 . 1 . . 38 . . 33 TYR N . 26003 1
stop_
save_