###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
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 51518
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Two Ca2+ Bound CaBP1 C-lobe complexed with the CaV1.2 IQ motif'
_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 .
_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' . . . 51518 1
2 '3D CBCA(CO)NH' . . . 51518 1
3 '3D HNCACB' . . . 51518 1
4 '3D HCCH-TOCSY' . . . 51518 1
5 '3D HBHA(CO)NH' . . . 51518 1
6 '3D HNCO' . . . 51518 1
7 '3D HNCA' . . . 51518 1
8 '2D 1H-13C HSQC aliphatic' . . . 51518 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
1 $software_1 . . 51518 1
2 $software_2 . . 51518 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 2 2 ILE HA H 1 4.089 0 . 1 . . . . . 2 ILE HA . 51518 1
2 . 1 . 1 2 2 ILE HB H 1 1.822 0 . 1 . . . . . 2 ILE HB . 51518 1
3 . 1 . 1 2 2 ILE HG21 H 1 0.74 0 . 1 . . . . . 2 ILE HG2 . 51518 1
4 . 1 . 1 2 2 ILE HG22 H 1 0.74 0 . 1 . . . . . 2 ILE HG2 . 51518 1
5 . 1 . 1 2 2 ILE HG23 H 1 0.74 0 . 1 . . . . . 2 ILE HG2 . 51518 1
6 . 1 . 1 2 2 ILE HD11 H 1 0.839 0 . 1 . . . . . 2 ILE HD1 . 51518 1
7 . 1 . 1 2 2 ILE HD12 H 1 0.839 0 . 1 . . . . . 2 ILE HD1 . 51518 1
8 . 1 . 1 2 2 ILE HD13 H 1 0.839 0 . 1 . . . . . 2 ILE HD1 . 51518 1
9 . 1 . 1 2 2 ILE CA C 13 61.088 0.04 . 1 . . . . . 2 ILE CA . 51518 1
10 . 1 . 1 2 2 ILE CB C 13 38.245 0.18 . 1 . . . . . 2 ILE CB . 51518 1
11 . 1 . 1 2 2 ILE CD1 C 13 13.343 0 . 1 . . . . . 2 ILE CD1 . 51518 1
12 . 1 . 1 3 3 GLY H H 1 8.436 0.01 . 1 . . . . . 3 GLY H . 51518 1
13 . 1 . 1 3 3 GLY HA2 H 1 3.974 0 . 1 . . . . . 3 GLY HA . 51518 1
14 . 1 . 1 3 3 GLY HA3 H 1 3.974 0 . 1 . . . . . 3 GLY HA . 51518 1
15 . 1 . 1 3 3 GLY C C 13 175.024 0 . 1 . . . . . 3 GLY C . 51518 1
16 . 1 . 1 3 3 GLY CA C 13 44.598 0.05 . 1 . . . . . 3 GLY CA . 51518 1
17 . 1 . 1 3 3 GLY N N 15 114.321 0.07 . 1 . . . . . 3 GLY N . 51518 1
18 . 1 . 1 4 4 VAL H H 1 8.224 0.01 . 1 . . . . . 4 VAL H . 51518 1
19 . 1 . 1 4 4 VAL HA H 1 3.863 0.01 . 1 . . . . . 4 VAL HA . 51518 1
20 . 1 . 1 4 4 VAL HB H 1 2.171 0.01 . 1 . . . . . 4 VAL HB . 51518 1
21 . 1 . 1 4 4 VAL HG11 H 1 1.145 0.01 . 2 . . . . . 4 VAL HG1 . 51518 1
22 . 1 . 1 4 4 VAL HG12 H 1 1.145 0.01 . 2 . . . . . 4 VAL HG1 . 51518 1
23 . 1 . 1 4 4 VAL HG13 H 1 1.145 0.01 . 2 . . . . . 4 VAL HG1 . 51518 1
24 . 1 . 1 4 4 VAL HG21 H 1 1.073 0 . 2 . . . . . 4 VAL HG2 . 51518 1
25 . 1 . 1 4 4 VAL HG22 H 1 1.073 0 . 2 . . . . . 4 VAL HG2 . 51518 1
26 . 1 . 1 4 4 VAL HG23 H 1 1.073 0 . 2 . . . . . 4 VAL HG2 . 51518 1
27 . 1 . 1 4 4 VAL C C 13 173.841 0 . 1 . . . . . 4 VAL C . 51518 1
28 . 1 . 1 4 4 VAL CA C 13 66.435 0.13 . 1 . . . . . 4 VAL CA . 51518 1
29 . 1 . 1 4 4 VAL CB C 13 31.704 0.09 . 1 . . . . . 4 VAL CB . 51518 1
30 . 1 . 1 4 4 VAL CG1 C 13 22.296 0 . 2 . . . . . 4 VAL CG1 . 51518 1
31 . 1 . 1 4 4 VAL CG2 C 13 21.142 0 . 2 . . . . . 4 VAL CG2 . 51518 1
32 . 1 . 1 4 4 VAL N N 15 119.743 0.04 . 1 . . . . . 4 VAL N . 51518 1
33 . 1 . 1 5 5 LYS H H 1 8.377 0.07 . 1 . . . . . 5 LYS H . 51518 1
34 . 1 . 1 5 5 LYS HB2 H 1 1.92 0 . 2 . . . . . 5 LYS HB1 . 51518 1
35 . 1 . 1 5 5 LYS HB3 H 1 1.746 0 . 2 . . . . . 5 LYS HB2 . 51518 1
36 . 1 . 1 5 5 LYS C C 13 177.338 0 . 1 . . . . . 5 LYS C . 51518 1
37 . 1 . 1 5 5 LYS CA C 13 60.195 0.08 . 1 . . . . . 5 LYS CA . 51518 1
38 . 1 . 1 5 5 LYS CB C 13 32.014 0.02 . 1 . . . . . 5 LYS CB . 51518 1
39 . 1 . 1 5 5 LYS N N 15 121.23 0.09 . 1 . . . . . 5 LYS N . 51518 1
40 . 1 . 1 6 6 GLU H H 1 8.278 0.01 . 1 . . . . . 6 GLU H . 51518 1
41 . 1 . 1 6 6 GLU HA H 1 4.034 0 . 1 . . . . . 6 GLU HA . 51518 1
42 . 1 . 1 6 6 GLU HB2 H 1 2.199 0 . 2 . . . . . 6 GLU HB1 . 51518 1
43 . 1 . 1 6 6 GLU HB3 H 1 1.286 0 . 2 . . . . . 6 GLU HB2 . 51518 1
44 . 1 . 1 6 6 GLU C C 13 178.623 0 . 1 . . . . . 6 GLU C . 51518 1
45 . 1 . 1 6 6 GLU CA C 13 61.134 0.1 . 1 . . . . . 6 GLU CA . 51518 1
46 . 1 . 1 6 6 GLU CB C 13 28.511 0.04 . 1 . . . . . 6 GLU CB . 51518 1
47 . 1 . 1 6 6 GLU N N 15 119.474 0.03 . 1 . . . . . 6 GLU N . 51518 1
48 . 1 . 1 7 7 LEU H H 1 8.249 0.01 . 1 . . . . . 7 LEU H . 51518 1
49 . 1 . 1 7 7 LEU C C 13 179.406 0 . 1 . . . . . 7 LEU C . 51518 1
50 . 1 . 1 7 7 LEU N N 15 119.427 0.05 . 1 . . . . . 7 LEU N . 51518 1
51 . 1 . 1 8 8 ARG H H 1 8.641 0.01 . 1 . . . . . 8 ARG H . 51518 1
52 . 1 . 1 8 8 ARG HA H 1 4.029 0 . 1 . . . . . 8 ARG HA . 51518 1
53 . 1 . 1 8 8 ARG HB2 H 1 1.924 0 . 2 . . . . . 8 ARG HB1 . 51518 1
54 . 1 . 1 8 8 ARG C C 13 180.407 0 . 1 . . . . . 8 ARG C . 51518 1
55 . 1 . 1 8 8 ARG CA C 13 59.539 0.06 . 1 . . . . . 8 ARG CA . 51518 1
56 . 1 . 1 8 8 ARG CB C 13 29.118 0.03 . 1 . . . . . 8 ARG CB . 51518 1
57 . 1 . 1 8 8 ARG N N 15 121.106 0.07 . 1 . . . . . 8 ARG N . 51518 1
58 . 1 . 1 9 9 ASP H H 1 8.035 0.01 . 1 . . . . . 9 ASP H . 51518 1
59 . 1 . 1 9 9 ASP HA H 1 4.54 0 . 1 . . . . . 9 ASP HA . 51518 1
60 . 1 . 1 9 9 ASP HB2 H 1 3.01 0 . 2 . . . . . 9 ASP HB1 . 51518 1
61 . 1 . 1 9 9 ASP HB3 H 1 2.646 0 . 2 . . . . . 9 ASP HB2 . 51518 1
62 . 1 . 1 9 9 ASP C C 13 178.823 0 . 1 . . . . . 9 ASP C . 51518 1
63 . 1 . 1 9 9 ASP CA C 13 57.781 0.08 . 1 . . . . . 9 ASP CA . 51518 1
64 . 1 . 1 9 9 ASP CB C 13 40.153 0.09 . 1 . . . . . 9 ASP CB . 51518 1
65 . 1 . 1 9 9 ASP N N 15 120.353 0.04 . 1 . . . . . 9 ASP N . 51518 1
66 . 1 . 1 10 10 ALA H H 1 8.418 0.01 . 1 . . . . . 10 ALA H . 51518 1
67 . 1 . 1 10 10 ALA HA H 1 4.392 0 . 1 . . . . . 10 ALA HA . 51518 1
68 . 1 . 1 10 10 ALA HB1 H 1 1.783 0 . 1 . . . . . 10 ALA HB1 . 51518 1
69 . 1 . 1 10 10 ALA HB2 H 1 1.783 0 . 1 . . . . . 10 ALA HB1 . 51518 1
70 . 1 . 1 10 10 ALA HB3 H 1 1.783 0 . 1 . . . . . 10 ALA HB1 . 51518 1
71 . 1 . 1 10 10 ALA C C 13 179.339 0 . 1 . . . . . 10 ALA C . 51518 1
72 . 1 . 1 10 10 ALA CA C 13 55.188 0.08 . 1 . . . . . 10 ALA CA . 51518 1
73 . 1 . 1 10 10 ALA CB C 13 18.486 0.02 . 1 . . . . . 10 ALA CB . 51518 1
74 . 1 . 1 10 10 ALA N N 15 122.353 0.04 . 1 . . . . . 10 ALA N . 51518 1
75 . 1 . 1 11 11 PHE H H 1 8.68 0.01 . 1 . . . . . 11 PHE H . 51518 1
76 . 1 . 1 11 11 PHE C C 13 178.956 0 . 1 . . . . . 11 PHE C . 51518 1
77 . 1 . 1 11 11 PHE CA C 13 61.406 0 . 1 . . . . . 11 PHE CA . 51518 1
78 . 1 . 1 11 11 PHE N N 15 119.354 0.03 . 1 . . . . . 11 PHE N . 51518 1
79 . 1 . 1 13 13 GLU HA H 1 4.255 0 . 1 . . . . . 13 GLU HA . 51518 1
80 . 1 . 1 13 13 GLU HB2 H 1 2.104 0 . 2 . . . . . 13 GLU HB1 . 51518 1
81 . 1 . 1 13 13 GLU CA C 13 56.489 0.02 . 1 . . . . . 13 GLU CA . 51518 1
82 . 1 . 1 13 13 GLU CB C 13 29.257 0 . 1 . . . . . 13 GLU CB . 51518 1
83 . 1 . 1 14 14 PHE H H 1 7.71 0.01 . 1 . . . . . 14 PHE H . 51518 1
84 . 1 . 1 14 14 PHE C C 13 175.625 0 . 1 . . . . . 14 PHE C . 51518 1
85 . 1 . 1 14 14 PHE CA C 13 59.012 0 . 1 . . . . . 14 PHE CA . 51518 1
86 . 1 . 1 14 14 PHE N N 15 120.641 0.13 . 1 . . . . . 14 PHE N . 51518 1
87 . 1 . 1 15 15 ASP H H 1 7.621 0 . 1 . . . . . 15 ASP H . 51518 1
88 . 1 . 1 15 15 ASP HA H 1 4.533 0 . 1 . . . . . 15 ASP HA . 51518 1
89 . 1 . 1 15 15 ASP HB2 H 1 2.336 0 . 2 . . . . . 15 ASP HB1 . 51518 1
90 . 1 . 1 15 15 ASP HB3 H 1 1.544 0 . 2 . . . . . 15 ASP HB2 . 51518 1
91 . 1 . 1 15 15 ASP CA C 13 52.089 0.04 . 1 . . . . . 15 ASP CA . 51518 1
92 . 1 . 1 15 15 ASP CB C 13 39.386 0.01 . 1 . . . . . 15 ASP CB . 51518 1
93 . 1 . 1 15 15 ASP N N 15 118.634 0 . 1 . . . . . 15 ASP N . 51518 1
94 . 1 . 1 16 16 THR H H 1 7.728 0.01 . 1 . . . . . 16 THR H . 51518 1
95 . 1 . 1 16 16 THR HA H 1 4.192 0 . 1 . . . . . 16 THR HA . 51518 1
96 . 1 . 1 16 16 THR HB H 1 3.931 0.01 . 1 . . . . . 16 THR HB . 51518 1
97 . 1 . 1 16 16 THR HG21 H 1 1.203 0 . 1 . . . . . 16 THR HG2 . 51518 1
98 . 1 . 1 16 16 THR HG22 H 1 1.203 0 . 1 . . . . . 16 THR HG2 . 51518 1
99 . 1 . 1 16 16 THR HG23 H 1 1.203 0 . 1 . . . . . 16 THR HG2 . 51518 1
100 . 1 . 1 16 16 THR C C 13 176.744 0 . 1 . . . . . 16 THR C . 51518 1
101 . 1 . 1 16 16 THR CA C 13 65.151 0.09 . 1 . . . . . 16 THR CA . 51518 1
102 . 1 . 1 16 16 THR CB C 13 68.805 0.04 . 1 . . . . . 16 THR CB . 51518 1
103 . 1 . 1 16 16 THR CG2 C 13 22.665 0 . 1 . . . . . 16 THR CG2 . 51518 1
104 . 1 . 1 16 16 THR N N 15 117.793 0.04 . 1 . . . . . 16 THR N . 51518 1
105 . 1 . 1 17 17 ASN H H 1 8.002 0.01 . 1 . . . . . 17 ASN H . 51518 1
106 . 1 . 1 17 17 ASN HA H 1 4.828 0 . 1 . . . . . 17 ASN HA . 51518 1
107 . 1 . 1 17 17 ASN HB2 H 1 3.334 0 . 2 . . . . . 17 ASN HB1 . 51518 1
108 . 1 . 1 17 17 ASN HB3 H 1 2.931 0 . 2 . . . . . 17 ASN HB2 . 51518 1
109 . 1 . 1 17 17 ASN C C 13 176.368 0 . 1 . . . . . 17 ASN C . 51518 1
110 . 1 . 1 17 17 ASN CA C 13 51.908 0.1 . 1 . . . . . 17 ASN CA . 51518 1
111 . 1 . 1 17 17 ASN CB C 13 37.174 0.01 . 1 . . . . . 17 ASN CB . 51518 1
112 . 1 . 1 17 17 ASN N N 15 115.929 0.03 . 1 . . . . . 17 ASN N . 51518 1
113 . 1 . 1 18 18 GLY H H 1 7.56 0.01 . 1 . . . . . 18 GLY H . 51518 1
114 . 1 . 1 18 18 GLY HA2 H 1 3.859 0 . 1 . . . . . 18 GLY HA . 51518 1
115 . 1 . 1 18 18 GLY HA3 H 1 3.859 0 . 1 . . . . . 18 GLY HA . 51518 1
116 . 1 . 1 18 18 GLY C C 13 176.586 0 . 1 . . . . . 18 GLY C . 51518 1
117 . 1 . 1 18 18 GLY CA C 13 47.537 0.04 . 1 . . . . . 18 GLY CA . 51518 1
118 . 1 . 1 18 18 GLY N N 15 109.169 0.05 . 1 . . . . . 18 GLY N . 51518 1
119 . 1 . 1 19 19 ASP H H 1 7.952 0.01 . 1 . . . . . 19 ASP H . 51518 1
120 . 1 . 1 19 19 ASP HA H 1 4.554 0 . 1 . . . . . 19 ASP HA . 51518 1
121 . 1 . 1 19 19 ASP HB2 H 1 3.101 0 . 2 . . . . . 19 ASP HB1 . 51518 1
122 . 1 . 1 19 19 ASP HB3 H 1 2.443 0 . 2 . . . . . 19 ASP HB2 . 51518 1
123 . 1 . 1 19 19 ASP C C 13 174.784 0 . 1 . . . . . 19 ASP C . 51518 1
124 . 1 . 1 19 19 ASP CA C 13 53.413 0.07 . 1 . . . . . 19 ASP CA . 51518 1
125 . 1 . 1 19 19 ASP CB C 13 40.566 0 . 1 . . . . . 19 ASP CB . 51518 1
126 . 1 . 1 19 19 ASP N N 15 119.118 0.03 . 1 . . . . . 19 ASP N . 51518 1
127 . 1 . 1 20 20 GLY H H 1 10.375 0.01 . 1 . . . . . 20 GLY H . 51518 1
128 . 1 . 1 20 20 GLY HA2 H 1 4.14 0 . 1 . . . . . 20 GLY HA . 51518 1
129 . 1 . 1 20 20 GLY HA3 H 1 4.14 0 . 1 . . . . . 20 GLY HA . 51518 1
130 . 1 . 1 20 20 GLY C C 13 177.743 0 . 1 . . . . . 20 GLY C . 51518 1
131 . 1 . 1 20 20 GLY CA C 13 45.87 0.06 . 1 . . . . . 20 GLY CA . 51518 1
132 . 1 . 1 20 20 GLY N N 15 113.003 0.04 . 1 . . . . . 20 GLY N . 51518 1
133 . 1 . 1 21 21 GLU H H 1 7.93 0.01 . 1 . . . . . 21 GLU H . 51518 1
134 . 1 . 1 21 21 GLU HA H 1 5.006 0 . 1 . . . . . 21 GLU HA . 51518 1
135 . 1 . 1 21 21 GLU HB2 H 1 1.756 0 . 2 . . . . . 21 GLU HB1 . 51518 1
136 . 1 . 1 21 21 GLU C C 13 173.324 0 . 1 . . . . . 21 GLU C . 51518 1
137 . 1 . 1 21 21 GLU CA C 13 53.942 0.13 . 1 . . . . . 21 GLU CA . 51518 1
138 . 1 . 1 21 21 GLU CB C 13 33.503 0.3 . 1 . . . . . 21 GLU CB . 51518 1
139 . 1 . 1 21 21 GLU N N 15 117.605 0.02 . 1 . . . . . 21 GLU N . 51518 1
140 . 1 . 1 22 22 ILE H H 1 9.457 0.01 . 1 . . . . . 22 ILE H . 51518 1
141 . 1 . 1 22 22 ILE HB H 1 1.926 0 . 1 . . . . . 22 ILE HB . 51518 1
142 . 1 . 1 22 22 ILE HG21 H 1 0.9 0 . 1 . . . . . 22 ILE HG2 . 51518 1
143 . 1 . 1 22 22 ILE HG22 H 1 0.9 0 . 1 . . . . . 22 ILE HG2 . 51518 1
144 . 1 . 1 22 22 ILE HG23 H 1 0.9 0 . 1 . . . . . 22 ILE HG2 . 51518 1
145 . 1 . 1 22 22 ILE HD11 H 1 0.252 0 . 1 . . . . . 22 ILE HD1 . 51518 1
146 . 1 . 1 22 22 ILE HD12 H 1 0.252 0 . 1 . . . . . 22 ILE HD1 . 51518 1
147 . 1 . 1 22 22 ILE HD13 H 1 0.252 0 . 1 . . . . . 22 ILE HD1 . 51518 1
148 . 1 . 1 22 22 ILE C C 13 174.407 0 . 1 . . . . . 22 ILE C . 51518 1
149 . 1 . 1 22 22 ILE CA C 13 60.031 0.05 . 1 . . . . . 22 ILE CA . 51518 1
150 . 1 . 1 22 22 ILE CB C 13 38.427 0.06 . 1 . . . . . 22 ILE CB . 51518 1
151 . 1 . 1 22 22 ILE CG2 C 13 17.646 0 . 1 . . . . . 22 ILE CG2 . 51518 1
152 . 1 . 1 22 22 ILE CD1 C 13 15.138 0 . 1 . . . . . 22 ILE CD1 . 51518 1
153 . 1 . 1 22 22 ILE N N 15 126.676 0.05 . 1 . . . . . 22 ILE N . 51518 1
154 . 1 . 1 23 23 SER H H 1 9.288 0.01 . 1 . . . . . 23 SER H . 51518 1
155 . 1 . 1 23 23 SER HA H 1 4.82 0 . 1 . . . . . 23 SER HA . 51518 1
156 . 1 . 1 23 23 SER HB2 H 1 4.505 0 . 2 . . . . . 23 SER HB1 . 51518 1
157 . 1 . 1 23 23 SER HB3 H 1 4.018 0 . 2 . . . . . 23 SER HB2 . 51518 1
158 . 1 . 1 23 23 SER C C 13 175.821 0 . 1 . . . . . 23 SER C . 51518 1
159 . 1 . 1 23 23 SER CA C 13 56.869 0.09 . 1 . . . . . 23 SER CA . 51518 1
160 . 1 . 1 23 23 SER CB C 13 65.667 0.02 . 1 . . . . . 23 SER CB . 51518 1
161 . 1 . 1 23 23 SER N N 15 124.296 0.07 . 1 . . . . . 23 SER N . 51518 1
162 . 1 . 1 24 24 THR H H 1 8.851 0.01 . 1 . . . . . 24 THR H . 51518 1
163 . 1 . 1 24 24 THR HA H 1 4.235 0 . 1 . . . . . 24 THR HA . 51518 1
164 . 1 . 1 24 24 THR HB H 1 3.818 0 . 1 . . . . . 24 THR HB . 51518 1
165 . 1 . 1 24 24 THR HG21 H 1 1.274 0 . 1 . . . . . 24 THR HG2 . 51518 1
166 . 1 . 1 24 24 THR HG22 H 1 1.274 0 . 1 . . . . . 24 THR HG2 . 51518 1
167 . 1 . 1 24 24 THR HG23 H 1 1.274 0 . 1 . . . . . 24 THR HG2 . 51518 1
168 . 1 . 1 24 24 THR C C 13 175.471 0 . 1 . . . . . 24 THR C . 51518 1
169 . 1 . 1 24 24 THR CA C 13 66.905 0.13 . 1 . . . . . 24 THR CA . 51518 1
170 . 1 . 1 24 24 THR CB C 13 68.218 0.11 . 1 . . . . . 24 THR CB . 51518 1
171 . 1 . 1 24 24 THR CG2 C 13 22.746 0 . 1 . . . . . 24 THR CG2 . 51518 1
172 . 1 . 1 24 24 THR N N 15 114.452 0.04 . 1 . . . . . 24 THR N . 51518 1
173 . 1 . 1 25 25 SER H H 1 8.099 0.01 . 1 . . . . . 25 SER H . 51518 1
174 . 1 . 1 25 25 SER HA H 1 4.202 0 . 1 . . . . . 25 SER HA . 51518 1
175 . 1 . 1 25 25 SER HB2 H 1 3.924 0 . 2 . . . . . 25 SER HB1 . 51518 1
176 . 1 . 1 25 25 SER C C 13 176.93 0 . 1 . . . . . 25 SER C . 51518 1
177 . 1 . 1 25 25 SER CA C 13 61.849 0.29 . 1 . . . . . 25 SER CA . 51518 1
178 . 1 . 1 25 25 SER N N 15 115.836 0.07 . 1 . . . . . 25 SER N . 51518 1
179 . 1 . 1 26 26 GLU H H 1 7.764 0.01 . 1 . . . . . 26 GLU H . 51518 1
180 . 1 . 1 26 26 GLU HA H 1 4.129 0 . 1 . . . . . 26 GLU HA . 51518 1
181 . 1 . 1 26 26 GLU HB2 H 1 2.51 0 . 2 . . . . . 26 GLU HB1 . 51518 1
182 . 1 . 1 26 26 GLU C C 13 177.071 0 . 1 . . . . . 26 GLU C . 51518 1
183 . 1 . 1 26 26 GLU CA C 13 58.807 0.06 . 1 . . . . . 26 GLU CA . 51518 1
184 . 1 . 1 26 26 GLU CB C 13 29.226 0.04 . 1 . . . . . 26 GLU CB . 51518 1
185 . 1 . 1 26 26 GLU N N 15 123.085 0.06 . 1 . . . . . 26 GLU N . 51518 1
186 . 1 . 1 27 27 LEU H H 1 8.64 0.01 . 1 . . . . . 27 LEU H . 51518 1
187 . 1 . 1 27 27 LEU C C 13 180.432 0 . 1 . . . . . 27 LEU C . 51518 1
188 . 1 . 1 27 27 LEU N N 15 122.073 0.04 . 1 . . . . . 27 LEU N . 51518 1
189 . 1 . 1 28 28 ARG H H 1 8.265 0 . 1 . . . . . 28 ARG H . 51518 1
190 . 1 . 1 28 28 ARG HA H 1 3.741 0 . 1 . . . . . 28 ARG HA . 51518 1
191 . 1 . 1 28 28 ARG HB2 H 1 2.086 0 . 2 . . . . . 28 ARG HB1 . 51518 1
192 . 1 . 1 28 28 ARG CA C 13 59.957 0.03 . 1 . . . . . 28 ARG CA . 51518 1
193 . 1 . 1 28 28 ARG CB C 13 28.723 0 . 1 . . . . . 28 ARG CB . 51518 1
194 . 1 . 1 28 28 ARG N N 15 119.569 0 . 1 . . . . . 28 ARG N . 51518 1
195 . 1 . 1 29 29 GLU H H 1 8.692 0.01 . 1 . . . . . 29 GLU H . 51518 1
196 . 1 . 1 29 29 GLU HA H 1 4.152 0 . 1 . . . . . 29 GLU HA . 51518 1
197 . 1 . 1 29 29 GLU HB2 H 1 2.067 0 . 2 . . . . . 29 GLU HB1 . 51518 1
198 . 1 . 1 29 29 GLU C C 13 180.424 0 . 1 . . . . . 29 GLU C . 51518 1
199 . 1 . 1 29 29 GLU CA C 13 58.84 0.22 . 1 . . . . . 29 GLU CA . 51518 1
200 . 1 . 1 29 29 GLU CB C 13 29.451 0.03 . 1 . . . . . 29 GLU CB . 51518 1
201 . 1 . 1 29 29 GLU N N 15 120.781 0.05 . 1 . . . . . 29 GLU N . 51518 1
202 . 1 . 1 30 30 ALA H H 1 8.164 0.01 . 1 . . . . . 30 ALA H . 51518 1
203 . 1 . 1 30 30 ALA HA H 1 4.064 0 . 1 . . . . . 30 ALA HA . 51518 1
204 . 1 . 1 30 30 ALA HB1 H 1 1.263 0 . 1 . . . . . 30 ALA HB1 . 51518 1
205 . 1 . 1 30 30 ALA HB2 H 1 1.263 0 . 1 . . . . . 30 ALA HB1 . 51518 1
206 . 1 . 1 30 30 ALA HB3 H 1 1.263 0 . 1 . . . . . 30 ALA HB1 . 51518 1
207 . 1 . 1 30 30 ALA C C 13 178.675 0 . 1 . . . . . 30 ALA C . 51518 1
208 . 1 . 1 30 30 ALA CA C 13 55.221 0.28 . 1 . . . . . 30 ALA CA . 51518 1
209 . 1 . 1 30 30 ALA CB C 13 19.056 0.05 . 1 . . . . . 30 ALA CB . 51518 1
210 . 1 . 1 30 30 ALA N N 15 121.276 0.03 . 1 . . . . . 30 ALA N . 51518 1
211 . 1 . 1 31 31 MET H H 1 8.281 0.01 . 1 . . . . . 31 MET H . 51518 1
212 . 1 . 1 31 31 MET C C 13 179.927 0 . 1 . . . . . 31 MET C . 51518 1
213 . 1 . 1 31 31 MET CA C 13 60.181 0 . 1 . . . . . 31 MET CA . 51518 1
214 . 1 . 1 31 31 MET CB C 13 32.52 0 . 1 . . . . . 31 MET CB . 51518 1
215 . 1 . 1 31 31 MET N N 15 114.824 0.03 . 1 . . . . . 31 MET N . 51518 1
216 . 1 . 1 32 32 ARG H H 1 7.914 0 . 1 . . . . . 32 ARG H . 51518 1
217 . 1 . 1 32 32 ARG CB C 13 28.486 0 . 1 . . . . . 32 ARG CB . 51518 1
218 . 1 . 1 32 32 ARG N N 15 119.537 0 . 1 . . . . . 32 ARG N . 51518 1
219 . 1 . 1 33 33 LYS H H 1 8.297 0.01 . 1 . . . . . 33 LYS H . 51518 1
220 . 1 . 1 33 33 LYS HA H 1 3.759 0 . 1 . . . . . 33 LYS HA . 51518 1
221 . 1 . 1 33 33 LYS HB2 H 1 1.99 0 . 2 . . . . . 33 LYS HB1 . 51518 1
222 . 1 . 1 33 33 LYS C C 13 174.807 0 . 1 . . . . . 33 LYS C . 51518 1
223 . 1 . 1 33 33 LYS CA C 13 60.605 0.11 . 1 . . . . . 33 LYS CA . 51518 1
224 . 1 . 1 33 33 LYS CB C 13 30.554 0.05 . 1 . . . . . 33 LYS CB . 51518 1
225 . 1 . 1 33 33 LYS N N 15 118.817 0.13 . 1 . . . . . 33 LYS N . 51518 1
226 . 1 . 1 34 34 LEU H H 1 7.956 0.01 . 1 . . . . . 34 LEU H . 51518 1
227 . 1 . 1 34 34 LEU HA H 1 4.084 0 . 1 . . . . . 34 LEU HA . 51518 1
228 . 1 . 1 34 34 LEU HB2 H 1 2.344 0 . 2 . . . . . 34 LEU HB1 . 51518 1
229 . 1 . 1 34 34 LEU C C 13 178.518 0 . 1 . . . . . 34 LEU C . 51518 1
230 . 1 . 1 34 34 LEU CA C 13 58.773 0.03 . 1 . . . . . 34 LEU CA . 51518 1
231 . 1 . 1 34 34 LEU CB C 13 43.252 0 . 1 . . . . . 34 LEU CB . 51518 1
232 . 1 . 1 34 34 LEU N N 15 117.806 0.04 . 1 . . . . . 34 LEU N . 51518 1
233 . 1 . 1 36 36 GLY H H 1 7.421 0.01 . 1 . . . . . 36 GLY H . 51518 1
234 . 1 . 1 36 36 GLY CA C 13 46.062 0 . 1 . . . . . 36 GLY CA . 51518 1
235 . 1 . 1 36 36 GLY N N 15 106.841 0.05 . 1 . . . . . 36 GLY N . 51518 1
236 . 1 . 1 39 39 VAL HA H 1 4.356 0.01 . 1 . . . . . 39 VAL HA . 51518 1
237 . 1 . 1 39 39 VAL HB H 1 1.893 0 . 1 . . . . . 39 VAL HB . 51518 1
238 . 1 . 1 39 39 VAL HG11 H 1 0.917 0 . 2 . . . . . 39 VAL HG1 . 51518 1
239 . 1 . 1 39 39 VAL HG12 H 1 0.917 0 . 2 . . . . . 39 VAL HG1 . 51518 1
240 . 1 . 1 39 39 VAL HG13 H 1 0.917 0 . 2 . . . . . 39 VAL HG1 . 51518 1
241 . 1 . 1 39 39 VAL HG21 H 1 0.766 0 . 2 . . . . . 39 VAL HG2 . 51518 1
242 . 1 . 1 39 39 VAL HG22 H 1 0.766 0 . 2 . . . . . 39 VAL HG2 . 51518 1
243 . 1 . 1 39 39 VAL HG23 H 1 0.766 0 . 2 . . . . . 39 VAL HG2 . 51518 1
244 . 1 . 1 39 39 VAL CA C 13 61.162 0.04 . 1 . . . . . 39 VAL CA . 51518 1
245 . 1 . 1 39 39 VAL CB C 13 33.287 0.15 . 1 . . . . . 39 VAL CB . 51518 1
246 . 1 . 1 39 39 VAL CG1 C 13 21.929 0 . 2 . . . . . 39 VAL CG1 . 51518 1
247 . 1 . 1 39 39 VAL CG2 C 13 21.368 0 . 2 . . . . . 39 VAL CG2 . 51518 1
248 . 1 . 1 40 40 GLY H H 1 9.081 0.01 . 1 . . . . . 40 GLY H . 51518 1
249 . 1 . 1 40 40 GLY C C 13 175.338 0 . 1 . . . . . 40 GLY C . 51518 1
250 . 1 . 1 40 40 GLY CA C 13 44.796 0.02 . 1 . . . . . 40 GLY CA . 51518 1
251 . 1 . 1 40 40 GLY N N 15 114.046 0.09 . 1 . . . . . 40 GLY N . 51518 1
252 . 1 . 1 42 42 ARG HA H 1 4.133 0 . 1 . . . . . 42 ARG HA . 51518 1
253 . 1 . 1 42 42 ARG HB2 H 1 1.875 0 . 2 . . . . . 42 ARG HB1 . 51518 1
254 . 1 . 1 42 42 ARG CA C 13 58.63 0.02 . 1 . . . . . 42 ARG CA . 51518 1
255 . 1 . 1 42 42 ARG CB C 13 29.371 0.01 . 1 . . . . . 42 ARG CB . 51518 1
256 . 1 . 1 43 43 ASP H H 1 7.33 0.01 . 1 . . . . . 43 ASP H . 51518 1
257 . 1 . 1 43 43 ASP C C 13 178.36 0 . 1 . . . . . 43 ASP C . 51518 1
258 . 1 . 1 43 43 ASP CA C 13 57.553 0.07 . 1 . . . . . 43 ASP CA . 51518 1
259 . 1 . 1 43 43 ASP CB C 13 40.876 0 . 1 . . . . . 43 ASP CB . 51518 1
260 . 1 . 1 43 43 ASP N N 15 118.129 0.04 . 1 . . . . . 43 ASP N . 51518 1
261 . 1 . 1 44 44 ILE HB H 1 1.824 0 . 1 . . . . . 44 ILE HB . 51518 1
262 . 1 . 1 44 44 ILE HG21 H 1 0.739 0 . 1 . . . . . 44 ILE HG2 . 51518 1
263 . 1 . 1 44 44 ILE HG22 H 1 0.739 0 . 1 . . . . . 44 ILE HG2 . 51518 1
264 . 1 . 1 44 44 ILE HG23 H 1 0.739 0 . 1 . . . . . 44 ILE HG2 . 51518 1
265 . 1 . 1 44 44 ILE HD11 H 1 0.579 0 . 1 . . . . . 44 ILE HD1 . 51518 1
266 . 1 . 1 44 44 ILE HD12 H 1 0.579 0 . 1 . . . . . 44 ILE HD1 . 51518 1
267 . 1 . 1 44 44 ILE HD13 H 1 0.579 0 . 1 . . . . . 44 ILE HD1 . 51518 1
268 . 1 . 1 44 44 ILE CB C 13 38.101 0 . 1 . . . . . 44 ILE CB . 51518 1
269 . 1 . 1 44 44 ILE CG2 C 13 15.819 0 . 1 . . . . . 44 ILE CG2 . 51518 1
270 . 1 . 1 44 44 ILE CD1 C 13 13.813 0 . 1 . . . . . 44 ILE CD1 . 51518 1
271 . 1 . 1 47 47 ILE HA H 1 3.615 0 . 1 . . . . . 47 ILE HA . 51518 1
272 . 1 . 1 47 47 ILE HB H 1 2.122 0 . 1 . . . . . 47 ILE HB . 51518 1
273 . 1 . 1 47 47 ILE HG21 H 1 0.927 0 . 1 . . . . . 47 ILE HG2 . 51518 1
274 . 1 . 1 47 47 ILE HG22 H 1 0.927 0 . 1 . . . . . 47 ILE HG2 . 51518 1
275 . 1 . 1 47 47 ILE HG23 H 1 0.927 0 . 1 . . . . . 47 ILE HG2 . 51518 1
276 . 1 . 1 47 47 ILE HD11 H 1 0.742 0 . 1 . . . . . 47 ILE HD1 . 51518 1
277 . 1 . 1 47 47 ILE HD12 H 1 0.742 0 . 1 . . . . . 47 ILE HD1 . 51518 1
278 . 1 . 1 47 47 ILE HD13 H 1 0.742 0 . 1 . . . . . 47 ILE HD1 . 51518 1
279 . 1 . 1 47 47 ILE CA C 13 65.289 0.06 . 1 . . . . . 47 ILE CA . 51518 1
280 . 1 . 1 47 47 ILE CB C 13 36.045 0 . 1 . . . . . 47 ILE CB . 51518 1
281 . 1 . 1 47 47 ILE CG2 C 13 17.998 0 . 1 . . . . . 47 ILE CG2 . 51518 1
282 . 1 . 1 47 47 ILE CD1 C 13 11.63 0 . 1 . . . . . 47 ILE CD1 . 51518 1
283 . 1 . 1 48 48 ILE H H 1 8.154 0.01 . 1 . . . . . 48 ILE H . 51518 1
284 . 1 . 1 48 48 ILE HA H 1 3.503 0 . 1 . . . . . 48 ILE HA . 51518 1
285 . 1 . 1 48 48 ILE HB H 1 2.009 0 . 1 . . . . . 48 ILE HB . 51518 1
286 . 1 . 1 48 48 ILE HG21 H 1 0.866 0 . 1 . . . . . 48 ILE HG2 . 51518 1
287 . 1 . 1 48 48 ILE HG22 H 1 0.866 0 . 1 . . . . . 48 ILE HG2 . 51518 1
288 . 1 . 1 48 48 ILE HG23 H 1 0.866 0 . 1 . . . . . 48 ILE HG2 . 51518 1
289 . 1 . 1 48 48 ILE HD11 H 1 0.667 0 . 1 . . . . . 48 ILE HD1 . 51518 1
290 . 1 . 1 48 48 ILE HD12 H 1 0.667 0 . 1 . . . . . 48 ILE HD1 . 51518 1
291 . 1 . 1 48 48 ILE HD13 H 1 0.667 0 . 1 . . . . . 48 ILE HD1 . 51518 1
292 . 1 . 1 48 48 ILE CA C 13 64.668 0.24 . 1 . . . . . 48 ILE CA . 51518 1
293 . 1 . 1 48 48 ILE CB C 13 36.167 0.09 . 1 . . . . . 48 ILE CB . 51518 1
294 . 1 . 1 48 48 ILE CG2 C 13 17.4 0 . 1 . . . . . 48 ILE CG2 . 51518 1
295 . 1 . 1 48 48 ILE CD1 C 13 11.886 0 . 1 . . . . . 48 ILE CD1 . 51518 1
296 . 1 . 1 48 48 ILE N N 15 118.605 0.1 . 1 . . . . . 48 ILE N . 51518 1
297 . 1 . 1 49 49 ARG H H 1 7.695 0.01 . 1 . . . . . 49 ARG H . 51518 1
298 . 1 . 1 49 49 ARG HA H 1 4.126 0 . 1 . . . . . 49 ARG HA . 51518 1
299 . 1 . 1 49 49 ARG HB2 H 1 1.968 0 . 2 . . . . . 49 ARG HB1 . 51518 1
300 . 1 . 1 49 49 ARG C C 13 177.666 0 . 1 . . . . . 49 ARG C . 51518 1
301 . 1 . 1 49 49 ARG CA C 13 58.821 0.11 . 1 . . . . . 49 ARG CA . 51518 1
302 . 1 . 1 49 49 ARG CB C 13 30.114 0.03 . 1 . . . . . 49 ARG CB . 51518 1
303 . 1 . 1 49 49 ARG N N 15 116.515 0.06 . 1 . . . . . 49 ARG N . 51518 1
304 . 1 . 1 50 50 ASP H H 1 7.632 0.01 . 1 . . . . . 50 ASP H . 51518 1
305 . 1 . 1 50 50 ASP HA H 1 4.541 0 . 1 . . . . . 50 ASP HA . 51518 1
306 . 1 . 1 50 50 ASP HB2 H 1 3.138 0 . 2 . . . . . 50 ASP HB1 . 51518 1
307 . 1 . 1 50 50 ASP HB3 H 1 2.918 0 . 2 . . . . . 50 ASP HB2 . 51518 1
308 . 1 . 1 50 50 ASP C C 13 177.871 0 . 1 . . . . . 50 ASP C . 51518 1
309 . 1 . 1 50 50 ASP CA C 13 56.85 0.1 . 1 . . . . . 50 ASP CA . 51518 1
310 . 1 . 1 50 50 ASP CB C 13 43.227 0.04 . 1 . . . . . 50 ASP CB . 51518 1
311 . 1 . 1 50 50 ASP N N 15 117.393 0.09 . 1 . . . . . 50 ASP N . 51518 1
312 . 1 . 1 51 51 VAL H H 1 7.739 0.01 . 1 . . . . . 51 VAL H . 51518 1
313 . 1 . 1 51 51 VAL C C 13 177.182 0 . 1 . . . . . 51 VAL C . 51518 1
314 . 1 . 1 51 51 VAL CA C 13 61.883 0.07 . 1 . . . . . 51 VAL CA . 51518 1
315 . 1 . 1 51 51 VAL CB C 13 33.555 0 . 1 . . . . . 51 VAL CB . 51518 1
316 . 1 . 1 51 51 VAL N N 15 110.16 0.11 . 1 . . . . . 51 VAL N . 51518 1
317 . 1 . 1 52 52 ASP H H 1 8.253 0.01 . 1 . . . . . 52 ASP H . 51518 1
318 . 1 . 1 52 52 ASP HA H 1 4.683 0 . 1 . . . . . 52 ASP HA . 51518 1
319 . 1 . 1 52 52 ASP HB2 H 1 2.999 0 . 2 . . . . . 52 ASP HB1 . 51518 1
320 . 1 . 1 52 52 ASP HB3 H 1 2.268 0 . 2 . . . . . 52 ASP HB2 . 51518 1
321 . 1 . 1 52 52 ASP C C 13 176.936 0 . 1 . . . . . 52 ASP C . 51518 1
322 . 1 . 1 52 52 ASP CA C 13 52.931 0.07 . 1 . . . . . 52 ASP CA . 51518 1
323 . 1 . 1 52 52 ASP CB C 13 39.367 0.01 . 1 . . . . . 52 ASP CB . 51518 1
324 . 1 . 1 52 52 ASP N N 15 120.725 0.05 . 1 . . . . . 52 ASP N . 51518 1
325 . 1 . 1 53 53 LEU H H 1 7.736 0.01 . 1 . . . . . 53 LEU H . 51518 1
326 . 1 . 1 53 53 LEU C C 13 177.009 0 . 1 . . . . . 53 LEU C . 51518 1
327 . 1 . 1 53 53 LEU N N 15 126.282 0.02 . 1 . . . . . 53 LEU N . 51518 1
328 . 1 . 1 54 54 ASN H H 1 7.971 0 . 1 . . . . . 54 ASN H . 51518 1
329 . 1 . 1 54 54 ASN HA H 1 4.831 0 . 1 . . . . . 54 ASN HA . 51518 1
330 . 1 . 1 54 54 ASN HB2 H 1 3.329 0.01 . 2 . . . . . 54 ASN HB1 . 51518 1
331 . 1 . 1 54 54 ASN HB3 H 1 2.918 0 . 2 . . . . . 54 ASN HB2 . 51518 1
332 . 1 . 1 54 54 ASN CA C 13 52.236 0.29 . 1 . . . . . 54 ASN CA . 51518 1
333 . 1 . 1 54 54 ASN CB C 13 37.28 0 . 1 . . . . . 54 ASN CB . 51518 1
334 . 1 . 1 54 54 ASN N N 15 112.924 0 . 1 . . . . . 54 ASN N . 51518 1
335 . 1 . 1 55 55 GLY H H 1 7.52 0.01 . 1 . . . . . 55 GLY H . 51518 1
336 . 1 . 1 55 55 GLY HA2 H 1 3.856 0 . 1 . . . . . 55 GLY HA . 51518 1
337 . 1 . 1 55 55 GLY HA3 H 1 3.856 0 . 1 . . . . . 55 GLY HA . 51518 1
338 . 1 . 1 55 55 GLY C C 13 176.633 0 . 1 . . . . . 55 GLY C . 51518 1
339 . 1 . 1 55 55 GLY CA C 13 47.526 0.04 . 1 . . . . . 55 GLY CA . 51518 1
340 . 1 . 1 55 55 GLY N N 15 108.785 0.05 . 1 . . . . . 55 GLY N . 51518 1
341 . 1 . 1 56 56 ASP H H 1 8.004 0.01 . 1 . . . . . 56 ASP H . 51518 1
342 . 1 . 1 56 56 ASP HA H 1 4.555 0 . 1 . . . . . 56 ASP HA . 51518 1
343 . 1 . 1 56 56 ASP HB2 H 1 3.181 0 . 2 . . . . . 56 ASP HB1 . 51518 1
344 . 1 . 1 56 56 ASP HB3 H 1 2.444 0 . 2 . . . . . 56 ASP HB2 . 51518 1
345 . 1 . 1 56 56 ASP C C 13 174.82 0 . 1 . . . . . 56 ASP C . 51518 1
346 . 1 . 1 56 56 ASP CA C 13 53.441 0.06 . 1 . . . . . 56 ASP CA . 51518 1
347 . 1 . 1 56 56 ASP CB C 13 40.359 0.02 . 1 . . . . . 56 ASP CB . 51518 1
348 . 1 . 1 56 56 ASP N N 15 119.222 0.01 . 1 . . . . . 56 ASP N . 51518 1
349 . 1 . 1 57 57 GLY H H 1 10.264 0.01 . 1 . . . . . 57 GLY H . 51518 1
350 . 1 . 1 57 57 GLY HA2 H 1 4.376 0 . 1 . . . . . 57 GLY HA . 51518 1
351 . 1 . 1 57 57 GLY HA3 H 1 4.376 0 . 1 . . . . . 57 GLY HA . 51518 1
352 . 1 . 1 57 57 GLY C C 13 177.431 0 . 1 . . . . . 57 GLY C . 51518 1
353 . 1 . 1 57 57 GLY CA C 13 45.563 0.03 . 1 . . . . . 57 GLY CA . 51518 1
354 . 1 . 1 57 57 GLY N N 15 112.168 0.03 . 1 . . . . . 57 GLY N . 51518 1
355 . 1 . 1 58 58 ARG H H 1 7.818 0.01 . 1 . . . . . 58 ARG H . 51518 1
356 . 1 . 1 58 58 ARG HA H 1 4.914 0 . 1 . . . . . 58 ARG HA . 51518 1
357 . 1 . 1 58 58 ARG HB2 H 1 1.542 0 . 2 . . . . . 58 ARG HB1 . 51518 1
358 . 1 . 1 58 58 ARG C C 13 173.083 0 . 1 . . . . . 58 ARG C . 51518 1
359 . 1 . 1 58 58 ARG CA C 13 53.908 0.14 . 1 . . . . . 58 ARG CA . 51518 1
360 . 1 . 1 58 58 ARG CB C 13 33.306 0.31 . 1 . . . . . 58 ARG CB . 51518 1
361 . 1 . 1 58 58 ARG N N 15 116.592 0.03 . 1 . . . . . 58 ARG N . 51518 1
362 . 1 . 1 59 59 VAL H H 1 9.259 0.01 . 1 . . . . . 59 VAL H . 51518 1
363 . 1 . 1 59 59 VAL HA H 1 5.079 0 . 1 . . . . . 59 VAL HA . 51518 1
364 . 1 . 1 59 59 VAL HB H 1 2.2 0.01 . 1 . . . . . 59 VAL HB . 51518 1
365 . 1 . 1 59 59 VAL HG11 H 1 1.058 0 . 2 . . . . . 59 VAL HG1 . 51518 1
366 . 1 . 1 59 59 VAL HG12 H 1 1.058 0 . 2 . . . . . 59 VAL HG1 . 51518 1
367 . 1 . 1 59 59 VAL HG13 H 1 1.058 0 . 2 . . . . . 59 VAL HG1 . 51518 1
368 . 1 . 1 59 59 VAL HG21 H 1 0.708 0 . 2 . . . . . 59 VAL HG2 . 51518 1
369 . 1 . 1 59 59 VAL HG22 H 1 0.708 0 . 2 . . . . . 59 VAL HG2 . 51518 1
370 . 1 . 1 59 59 VAL HG23 H 1 0.708 0 . 2 . . . . . 59 VAL HG2 . 51518 1
371 . 1 . 1 59 59 VAL C C 13 174.6 0 . 1 . . . . . 59 VAL C . 51518 1
372 . 1 . 1 59 59 VAL CA C 13 61.313 0.03 . 1 . . . . . 59 VAL CA . 51518 1
373 . 1 . 1 59 59 VAL CB C 13 32.478 0.21 . 1 . . . . . 59 VAL CB . 51518 1
374 . 1 . 1 59 59 VAL CG1 C 13 21.051 0 . 2 . . . . . 59 VAL CG1 . 51518 1
375 . 1 . 1 59 59 VAL CG2 C 13 21.103 0 . 2 . . . . . 59 VAL CG2 . 51518 1
376 . 1 . 1 59 59 VAL N N 15 125.871 0.05 . 1 . . . . . 59 VAL N . 51518 1
377 . 1 . 1 60 60 ASP H H 1 8.735 0.01 . 1 . . . . . 60 ASP H . 51518 1
378 . 1 . 1 60 60 ASP HA H 1 5.183 0 . 1 . . . . . 60 ASP HA . 51518 1
379 . 1 . 1 60 60 ASP HB2 H 1 3.398 0 . 2 . . . . . 60 ASP HB1 . 51518 1
380 . 1 . 1 60 60 ASP HB3 H 1 2.712 0 . 2 . . . . . 60 ASP HB2 . 51518 1
381 . 1 . 1 60 60 ASP C C 13 175.809 0 . 1 . . . . . 60 ASP C . 51518 1
382 . 1 . 1 60 60 ASP CA C 13 52.58 0.07 . 1 . . . . . 60 ASP CA . 51518 1
383 . 1 . 1 60 60 ASP CB C 13 41.566 0.02 . 1 . . . . . 60 ASP CB . 51518 1
384 . 1 . 1 60 60 ASP N N 15 128.023 0.06 . 1 . . . . . 60 ASP N . 51518 1
385 . 1 . 1 61 61 PHE H H 1 8.743 0.01 . 1 . . . . . 61 PHE H . 51518 1
386 . 1 . 1 61 61 PHE C C 13 175.897 0 . 1 . . . . . 61 PHE C . 51518 1
387 . 1 . 1 61 61 PHE CA C 13 57.071 0 . 1 . . . . . 61 PHE CA . 51518 1
388 . 1 . 1 61 61 PHE N N 15 118.01 0.04 . 1 . . . . . 61 PHE N . 51518 1
389 . 1 . 1 62 62 GLU HA H 1 3.94 0 . 1 . . . . . 62 GLU HA . 51518 1
390 . 1 . 1 62 62 GLU HB2 H 1 2.135 0 . 2 . . . . . 62 GLU HB1 . 51518 1
391 . 1 . 1 62 62 GLU CA C 13 59.631 0 . 1 . . . . . 62 GLU CA . 51518 1
392 . 1 . 1 62 62 GLU CB C 13 29.28 0 . 1 . . . . . 62 GLU CB . 51518 1
393 . 1 . 1 63 63 GLU H H 1 7.816 0.01 . 1 . . . . . 63 GLU H . 51518 1
394 . 1 . 1 63 63 GLU HA H 1 3.948 0 . 1 . . . . . 63 GLU HA . 51518 1
395 . 1 . 1 63 63 GLU HB2 H 1 2.544 0 . 2 . . . . . 63 GLU HB1 . 51518 1
396 . 1 . 1 63 63 GLU HB3 H 1 2.133 0 . 2 . . . . . 63 GLU HB2 . 51518 1
397 . 1 . 1 63 63 GLU C C 13 179.454 0 . 1 . . . . . 63 GLU C . 51518 1
398 . 1 . 1 63 63 GLU CA C 13 59.091 0.33 . 1 . . . . . 63 GLU CA . 51518 1
399 . 1 . 1 63 63 GLU CB C 13 29.641 0.04 . 1 . . . . . 63 GLU CB . 51518 1
400 . 1 . 1 63 63 GLU N N 15 118.816 0.07 . 1 . . . . . 63 GLU N . 51518 1
401 . 1 . 1 64 64 PHE H H 1 8.777 0.01 . 1 . . . . . 64 PHE H . 51518 1
402 . 1 . 1 64 64 PHE C C 13 179.687 0 . 1 . . . . . 64 PHE C . 51518 1
403 . 1 . 1 64 64 PHE N N 15 124.391 0.03 . 1 . . . . . 64 PHE N . 51518 1
404 . 1 . 1 65 65 VAL H H 1 8.468 0.01 . 1 . . . . . 65 VAL H . 51518 1
405 . 1 . 1 65 65 VAL HA H 1 3.066 0 . 1 . . . . . 65 VAL HA . 51518 1
406 . 1 . 1 65 65 VAL HB H 1 1.863 0.01 . 1 . . . . . 65 VAL HB . 51518 1
407 . 1 . 1 65 65 VAL HG11 H 1 0.677 0 . 2 . . . . . 65 VAL HG1 . 51518 1
408 . 1 . 1 65 65 VAL HG12 H 1 0.677 0 . 2 . . . . . 65 VAL HG1 . 51518 1
409 . 1 . 1 65 65 VAL HG13 H 1 0.677 0 . 2 . . . . . 65 VAL HG1 . 51518 1
410 . 1 . 1 65 65 VAL HG21 H 1 0.344 0 . 2 . . . . . 65 VAL HG2 . 51518 1
411 . 1 . 1 65 65 VAL HG22 H 1 0.344 0 . 2 . . . . . 65 VAL HG2 . 51518 1
412 . 1 . 1 65 65 VAL HG23 H 1 0.344 0 . 2 . . . . . 65 VAL HG2 . 51518 1
413 . 1 . 1 65 65 VAL C C 13 176.145 0 . 1 . . . . . 65 VAL C . 51518 1
414 . 1 . 1 65 65 VAL CA C 13 67.166 0.1 . 1 . . . . . 65 VAL CA . 51518 1
415 . 1 . 1 65 65 VAL CB C 13 31.206 0.01 . 1 . . . . . 65 VAL CB . 51518 1
416 . 1 . 1 65 65 VAL CG1 C 13 21.169 0 . 2 . . . . . 65 VAL CG1 . 51518 1
417 . 1 . 1 65 65 VAL CG2 C 13 23.36 0 . 2 . . . . . 65 VAL CG2 . 51518 1
418 . 1 . 1 65 65 VAL N N 15 120.107 0.04 . 1 . . . . . 65 VAL N . 51518 1
419 . 1 . 1 66 66 ARG H H 1 7.578 0.01 . 1 . . . . . 66 ARG H . 51518 1
420 . 1 . 1 66 66 ARG C C 13 179.317 0 . 1 . . . . . 66 ARG C . 51518 1
421 . 1 . 1 66 66 ARG CA C 13 59.539 0 . 1 . . . . . 66 ARG CA . 51518 1
422 . 1 . 1 66 66 ARG CB C 13 29.361 0 . 1 . . . . . 66 ARG CB . 51518 1
423 . 1 . 1 66 66 ARG N N 15 119.54 0.05 . 1 . . . . . 66 ARG N . 51518 1
424 . 1 . 1 67 67 MET HA H 1 4.03 0 . 1 . . . . . 67 MET HA . 51518 1
425 . 1 . 1 67 67 MET CA C 13 58.737 0.1 . 1 . . . . . 67 MET CA . 51518 1
426 . 1 . 1 68 68 MET H H 1 7.367 0.01 . 1 . . . . . 68 MET H . 51518 1
427 . 1 . 1 68 68 MET HA H 1 4.329 0 . 1 . . . . . 68 MET HA . 51518 1
428 . 1 . 1 68 68 MET C C 13 176.768 0 . 1 . . . . . 68 MET C . 51518 1
429 . 1 . 1 68 68 MET CA C 13 54.617 0.05 . 1 . . . . . 68 MET CA . 51518 1
430 . 1 . 1 68 68 MET CB C 13 31.854 0 . 1 . . . . . 68 MET CB . 51518 1
431 . 1 . 1 68 68 MET N N 15 111.945 0.1 . 1 . . . . . 68 MET N . 51518 1
432 . 1 . 1 69 69 SER H H 1 7.483 0.01 . 1 . . . . . 69 SER H . 51518 1
433 . 1 . 1 69 69 SER HA H 1 4.581 0 . 1 . . . . . 69 SER HA . 51518 1
434 . 1 . 1 69 69 SER HB2 H 1 3.872 0 . 2 . . . . . 69 SER HB1 . 51518 1
435 . 1 . 1 69 69 SER C C 13 176.384 0 . 1 . . . . . 69 SER C . 51518 1
436 . 1 . 1 69 69 SER CA C 13 58.523 0.06 . 1 . . . . . 69 SER CA . 51518 1
437 . 1 . 1 69 69 SER CB C 13 64.207 0.01 . 1 . . . . . 69 SER CB . 51518 1
438 . 1 . 1 69 69 SER N N 15 113.677 0.05 . 1 . . . . . 69 SER N . 51518 1
439 . 1 . 1 70 70 ARG H H 1 7.259 0.01 . 1 . . . . . 70 ARG H . 51518 1
440 . 1 . 1 70 70 ARG C C 13 173.312 0 . 1 . . . . . 70 ARG C . 51518 1
441 . 1 . 1 70 70 ARG CA C 13 58.046 0.12 . 1 . . . . . 70 ARG CA . 51518 1
442 . 1 . 1 70 70 ARG CB C 13 31.117 0 . 1 . . . . . 70 ARG CB . 51518 1
443 . 1 . 1 70 70 ARG N N 15 126.911 0.04 . 1 . . . . . 70 ARG N . 51518 1
stop_
save_