###################################
# 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_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 6504
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing
_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 $sample_1 isotropic 6504 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 THR HA H 1 3.85 0.05 . . . . . . 1 THR HA . 6504 1
2 . 1 1 1 1 THR HB H 1 4.024 0.05 . . . . . . 1 THR HB . 6504 1
3 . 1 1 1 1 THR HG21 H 1 1.089 0.05 . . . . . . 1 THR HG2 . 6504 1
4 . 1 1 1 1 THR HG22 H 1 1.089 0.05 . . . . . . 1 THR HG2 . 6504 1
5 . 1 1 1 1 THR HG23 H 1 1.089 0.05 . . . . . . 1 THR HG2 . 6504 1
6 . 1 1 1 1 THR C C 13 169.985 0.4 . . . . . . 1 THR C . 6504 1
7 . 1 1 1 1 THR CA C 13 61.966 0.4 . . . . . . 1 THR CA . 6504 1
8 . 1 1 1 1 THR CB C 13 68.971 0.4 . . . . . . 1 THR CB . 6504 1
9 . 1 1 1 1 THR CG2 C 13 21.69 0.4 . . . . . . 1 THR CG2 . 6504 1
10 . 1 1 2 2 THR H H 1 8.961 0.05 . . . . . . 2 THR H . 6504 1
11 . 1 1 2 2 THR HA H 1 4.987 0.05 . . . . . . 2 THR HA . 6504 1
12 . 1 1 2 2 THR HB H 1 3.688 0.05 . . . . . . 2 THR HB . 6504 1
13 . 1 1 2 2 THR HG21 H 1 0.506 0.05 . . . . . . 2 THR HG2 . 6504 1
14 . 1 1 2 2 THR HG22 H 1 0.506 0.05 . . . . . . 2 THR HG2 . 6504 1
15 . 1 1 2 2 THR HG23 H 1 0.506 0.05 . . . . . . 2 THR HG2 . 6504 1
16 . 1 1 2 2 THR C C 13 173.824 0.4 . . . . . . 2 THR C . 6504 1
17 . 1 1 2 2 THR CA C 13 61.5 0.4 . . . . . . 2 THR CA . 6504 1
18 . 1 1 2 2 THR CB C 13 69.644 0.4 . . . . . . 2 THR CB . 6504 1
19 . 1 1 2 2 THR CG2 C 13 21.906 0.4 . . . . . . 2 THR CG2 . 6504 1
20 . 1 1 2 2 THR N N 15 123.243 0.4 . . . . . . 2 THR N . 6504 1
21 . 1 1 3 3 CYS H H 1 9.181 0.05 . . . . . . 3 CYS H . 6504 1
22 . 1 1 3 3 CYS HA H 1 4.871 0.05 . . . . . . 3 CYS HA . 6504 1
23 . 1 1 3 3 CYS HB2 H 1 4.39 0.05 . . . . . . 3 CYS HB2 . 6504 1
24 . 1 1 3 3 CYS HB3 H 1 2.472 0.05 . . . . . . 3 CYS HB3 . 6504 1
25 . 1 1 3 3 CYS C C 13 173.769 0.4 . . . . . . 3 CYS C . 6504 1
26 . 1 1 3 3 CYS CA C 13 54.08 0.4 . . . . . . 3 CYS CA . 6504 1
27 . 1 1 3 3 CYS CB C 13 41.531 0.4 . . . . . . 3 CYS CB . 6504 1
28 . 1 1 3 3 CYS N N 15 126.517 0.4 . . . . . . 3 CYS N . 6504 1
29 . 1 1 4 4 CYS H H 1 8.673 0.05 . . . . . . 4 CYS H . 6504 1
30 . 1 1 4 4 CYS HA H 1 5.389 0.05 . . . . . . 4 CYS HA . 6504 1
31 . 1 1 4 4 CYS HB2 H 1 2.81 0.05 . . . . . . 4 CYS HB2 . 6504 1
32 . 1 1 4 4 CYS CA C 13 53.476 0.4 . . . . . . 4 CYS CA . 6504 1
33 . 1 1 4 4 CYS CB C 13 45.46 0.4 . . . . . . 4 CYS CB . 6504 1
34 . 1 1 4 4 CYS N N 15 121.95 0.4 . . . . . . 4 CYS N . 6504 1
35 . 1 1 5 5 PRO HA H 1 4.556 0.05 . . . . . . 5 PRO HA . 6504 1
36 . 1 1 5 5 PRO HB2 H 1 2.011 0.05 . . . . . . 5 PRO HB2 . 6504 1
37 . 1 1 5 5 PRO HB3 H 1 1.693 0.05 . . . . . . 5 PRO HB3 . 6504 1
38 . 1 1 5 5 PRO HD2 H 1 3.941 0.05 . . . . . . 5 PRO HD2 . 6504 1
39 . 1 1 5 5 PRO HD3 H 1 3.743 0.05 . . . . . . 5 PRO HD3 . 6504 1
40 . 1 1 5 5 PRO C C 13 174.733 0.4 . . . . . . 5 PRO C . 6504 1
41 . 1 1 5 5 PRO CA C 13 64.241 0.4 . . . . . . 5 PRO CA . 6504 1
42 . 1 1 5 5 PRO CB C 13 31.691 0.4 . . . . . . 5 PRO CB . 6504 1
43 . 1 1 5 5 PRO CD C 13 51.53 0.4 . . . . . . 5 PRO CD . 6504 1
44 . 1 1 6 6 SER H H 1 6.939 0.05 . . . . . . 6 SER H . 6504 1
45 . 1 1 6 6 SER HA H 1 4.67 0.05 . . . . . . 6 SER HA . 6504 1
46 . 1 1 6 6 SER HB2 H 1 4.199 0.05 . . . . . . 6 SER HB2 . 6504 1
47 . 1 1 6 6 SER HB3 H 1 3.924 0.05 . . . . . . 6 SER HB3 . 6504 1
48 . 1 1 6 6 SER C C 13 173.973 0.4 . . . . . . 6 SER C . 6504 1
49 . 1 1 6 6 SER CA C 13 56.491 0.4 . . . . . . 6 SER CA . 6504 1
50 . 1 1 6 6 SER CB C 13 66.298 0.4 . . . . . . 6 SER CB . 6504 1
51 . 1 1 6 6 SER N N 15 110.827 0.4 . . . . . . 6 SER N . 6504 1
52 . 1 1 7 7 ILE H H 1 8.909 0.05 . . . . . . 7 ILE H . 6504 1
53 . 1 1 7 7 ILE HA H 1 3.91 0.05 . . . . . . 7 ILE HA . 6504 1
54 . 1 1 7 7 ILE HB H 1 1.868 0.05 . . . . . . 7 ILE HB . 6504 1
55 . 1 1 7 7 ILE HG12 H 1 1.597 0.05 . . . . . . 7 ILE HG12 . 6504 1
56 . 1 1 7 7 ILE HG13 H 1 1.247 0.05 . . . . . . 7 ILE HG13 . 6504 1
57 . 1 1 7 7 ILE HG21 H 1 0.972 0.05 . . . . . . 7 ILE HG2 . 6504 1
58 . 1 1 7 7 ILE HG22 H 1 0.972 0.05 . . . . . . 7 ILE HG2 . 6504 1
59 . 1 1 7 7 ILE HG23 H 1 0.972 0.05 . . . . . . 7 ILE HG2 . 6504 1
60 . 1 1 7 7 ILE HD11 H 1 0.939 0.05 . . . . . . 7 ILE HD1 . 6504 1
61 . 1 1 7 7 ILE HD12 H 1 0.939 0.05 . . . . . . 7 ILE HD1 . 6504 1
62 . 1 1 7 7 ILE HD13 H 1 0.939 0.05 . . . . . . 7 ILE HD1 . 6504 1
63 . 1 1 7 7 ILE C C 13 178.399 0.4 . . . . . . 7 ILE C . 6504 1
64 . 1 1 7 7 ILE CA C 13 64.556 0.4 . . . . . . 7 ILE CA . 6504 1
65 . 1 1 7 7 ILE CB C 13 38.056 0.4 . . . . . . 7 ILE CB . 6504 1
66 . 1 1 7 7 ILE CG1 C 13 28.58 0.4 . . . . . . 7 ILE CG1 . 6504 1
67 . 1 1 7 7 ILE CG2 C 13 17.381 0.4 . . . . . . 7 ILE CG2 . 6504 1
68 . 1 1 7 7 ILE CD1 C 13 13.348 0.4 . . . . . . 7 ILE CD1 . 6504 1
69 . 1 1 7 7 ILE N N 15 121.933 0.4 . . . . . . 7 ILE N . 6504 1
70 . 1 1 8 8 VAL H H 1 7.763 0.05 . . . . . . 8 VAL H . 6504 1
71 . 1 1 8 8 VAL HA H 1 3.817 0.05 . . . . . . 8 VAL HA . 6504 1
72 . 1 1 8 8 VAL HB H 1 1.964 0.05 . . . . . . 8 VAL HB . 6504 1
73 . 1 1 8 8 VAL HG11 H 1 1.059 0.05 . . . . . . 8 VAL HG1 . 6504 1
74 . 1 1 8 8 VAL HG12 H 1 1.059 0.05 . . . . . . 8 VAL HG1 . 6504 1
75 . 1 1 8 8 VAL HG13 H 1 1.059 0.05 . . . . . . 8 VAL HG1 . 6504 1
76 . 1 1 8 8 VAL HG21 H 1 0.959 0.05 . . . . . . 8 VAL HG2 . 6504 1
77 . 1 1 8 8 VAL HG22 H 1 0.959 0.05 . . . . . . 8 VAL HG2 . 6504 1
78 . 1 1 8 8 VAL HG23 H 1 0.959 0.05 . . . . . . 8 VAL HG2 . 6504 1
79 . 1 1 8 8 VAL C C 13 177.203 0.4 . . . . . . 8 VAL C . 6504 1
80 . 1 1 8 8 VAL CA C 13 66.009 0.4 . . . . . . 8 VAL CA . 6504 1
81 . 1 1 8 8 VAL CB C 13 31.961 0.4 . . . . . . 8 VAL CB . 6504 1
82 . 1 1 8 8 VAL CG1 C 13 22.85 0.4 . . . . . . 8 VAL CG1 . 6504 1
83 . 1 1 8 8 VAL CG2 C 13 20.85 0.4 . . . . . . 8 VAL CG2 . 6504 1
84 . 1 1 8 8 VAL N N 15 122.132 0.4 . . . . . . 8 VAL N . 6504 1
85 . 1 1 9 9 ALA H H 1 8.064 0.05 . . . . . . 9 ALA H . 6504 1
86 . 1 1 9 9 ALA HA H 1 4.38 0.05 . . . . . . 9 ALA HA . 6504 1
87 . 1 1 9 9 ALA HB1 H 1 1.575 0.05 . . . . . . 9 ALA HB . 6504 1
88 . 1 1 9 9 ALA HB2 H 1 1.575 0.05 . . . . . . 9 ALA HB . 6504 1
89 . 1 1 9 9 ALA HB3 H 1 1.575 0.05 . . . . . . 9 ALA HB . 6504 1
90 . 1 1 9 9 ALA C C 13 179.275 0.4 . . . . . . 9 ALA C . 6504 1
91 . 1 1 9 9 ALA CA C 13 55.539 0.4 . . . . . . 9 ALA CA . 6504 1
92 . 1 1 9 9 ALA CB C 13 19.616 0.4 . . . . . . 9 ALA CB . 6504 1
93 . 1 1 9 9 ALA N N 15 123.08 0.4 . . . . . . 9 ALA N . 6504 1
94 . 1 1 10 10 ARG H H 1 7.622 0.05 . . . . . . 10 ARG H . 6504 1
95 . 1 1 10 10 ARG HA H 1 4.481 0.05 . . . . . . 10 ARG HA . 6504 1
96 . 1 1 10 10 ARG HB2 H 1 1.911 0.05 . . . . . . 10 ARG HB2 . 6504 1
97 . 1 1 10 10 ARG HB3 H 1 2.126 0.05 . . . . . . 10 ARG HB3 . 6504 1
98 . 1 1 10 10 ARG HG2 H 1 1.716 0.05 . . . . . . 10 ARG HG2 . 6504 1
99 . 1 1 10 10 ARG HD2 H 1 3.359 0.05 . . . . . . 10 ARG HD2 . 6504 1
100 . 1 1 10 10 ARG HD3 H 1 3.245 0.05 . . . . . . 10 ARG HD3 . 6504 1
101 . 1 1 10 10 ARG HE H 1 9.005 0.05 . . . . . . 10 ARG HE . 6504 1
102 . 1 1 10 10 ARG C C 13 177.657 0.4 . . . . . . 10 ARG C . 6504 1
103 . 1 1 10 10 ARG CA C 13 57.506 0.4 . . . . . . 10 ARG CA . 6504 1
104 . 1 1 10 10 ARG CB C 13 27.791 0.4 . . . . . . 10 ARG CB . 6504 1
105 . 1 1 10 10 ARG CD C 13 40.48 0.4 . . . . . . 10 ARG CD . 6504 1
106 . 1 1 10 10 ARG N N 15 116.294 0.4 . . . . . . 10 ARG N . 6504 1
107 . 1 1 10 10 ARG NE N 15 84.21 0.4 . . . . . . 10 ARG NE . 6504 1
108 . 1 1 11 11 SER H H 1 8.379 0.05 . . . . . . 11 SER H . 6504 1
109 . 1 1 11 11 SER HA H 1 4.343 0.05 . . . . . . 11 SER HA . 6504 1
110 . 1 1 11 11 SER HB2 H 1 4.07 0.05 . . . . . . 11 SER HB2 . 6504 1
111 . 1 1 11 11 SER C C 13 177.252 0.4 . . . . . . 11 SER C . 6504 1
112 . 1 1 11 11 SER CA C 13 62.195 0.4 . . . . . . 11 SER CA . 6504 1
113 . 1 1 11 11 SER CB C 13 62.62 0.4 . . . . . . 11 SER CB . 6504 1
114 . 1 1 11 11 SER N N 15 115.991 0.4 . . . . . . 11 SER N . 6504 1
115 . 1 1 12 12 ASN H H 1 8.68 0.05 . . . . . . 12 ASN H . 6504 1
116 . 1 1 12 12 ASN HA H 1 4.446 0.05 . . . . . . 12 ASN HA . 6504 1
117 . 1 1 12 12 ASN HB2 H 1 3.123 0.05 . . . . . . 12 ASN HB2 . 6504 1
118 . 1 1 12 12 ASN HB3 H 1 2.587 0.05 . . . . . . 12 ASN HB3 . 6504 1
119 . 1 1 12 12 ASN HD21 H 1 7.585 0.05 . . . . . . 12 ASN HD21 . 6504 1
120 . 1 1 12 12 ASN HD22 H 1 6.669 0.05 . . . . . . 12 ASN HD22 . 6504 1
121 . 1 1 12 12 ASN C C 13 177.255 0.4 . . . . . . 12 ASN C . 6504 1
122 . 1 1 12 12 ASN CA C 13 55.753 0.4 . . . . . . 12 ASN CA . 6504 1
123 . 1 1 12 12 ASN CB C 13 37.642 0.4 . . . . . . 12 ASN CB . 6504 1
124 . 1 1 12 12 ASN N N 15 120.305 0.4 . . . . . . 12 ASN N . 6504 1
125 . 1 1 12 12 ASN ND2 N 15 109.152 0.4 . . . . . . 12 ASN ND2 . 6504 1
126 . 1 1 13 13 PHE H H 1 9.183 0.05 . . . . . . 13 PHE H . 6504 1
127 . 1 1 13 13 PHE HA H 1 3.8 0.05 . . . . . . 13 PHE HA . 6504 1
128 . 1 1 13 13 PHE HB2 H 1 3.693 0.05 . . . . . . 13 PHE HB2 . 6504 1
129 . 1 1 13 13 PHE HB3 H 1 3.457 0.05 . . . . . . 13 PHE HB3 . 6504 1
130 . 1 1 13 13 PHE HD1 H 1 6.977 0.05 . . . . . . 13 PHE HD1 . 6504 1
131 . 1 1 13 13 PHE HD2 H 1 7.14 0.05 . . . . . . 13 PHE HD2 . 6504 1
132 . 1 1 13 13 PHE HE1 H 1 7.205 0.05 . . . . . . 13 PHE HE1 . 6504 1
133 . 1 1 13 13 PHE HE2 H 1 7.388 0.05 . . . . . . 13 PHE HE2 . 6504 1
134 . 1 1 13 13 PHE C C 13 176.452 0.4 . . . . . . 13 PHE C . 6504 1
135 . 1 1 13 13 PHE CA C 13 63.4 0.4 . . . . . . 13 PHE CA . 6504 1
136 . 1 1 13 13 PHE CB C 13 38.85 0.4 . . . . . . 13 PHE CB . 6504 1
137 . 1 1 13 13 PHE N N 15 124.602 0.4 . . . . . . 13 PHE N . 6504 1
138 . 1 1 14 14 ASN H H 1 8.674 0.05 . . . . . . 14 ASN H . 6504 1
139 . 1 1 14 14 ASN HA H 1 4.388 0.05 . . . . . . 14 ASN HA . 6504 1
140 . 1 1 14 14 ASN HB2 H 1 3.153 0.05 . . . . . . 14 ASN HB2 . 6504 1
141 . 1 1 14 14 ASN HB3 H 1 2.818 0.05 . . . . . . 14 ASN HB3 . 6504 1
142 . 1 1 14 14 ASN HD21 H 1 7.823 0.05 . . . . . . 14 ASN HD21 . 6504 1
143 . 1 1 14 14 ASN HD22 H 1 6.969 0.05 . . . . . . 14 ASN HD22 . 6504 1
144 . 1 1 14 14 ASN C C 13 179.001 0.4 . . . . . . 14 ASN C . 6504 1
145 . 1 1 14 14 ASN CA C 13 55.6 0.4 . . . . . . 14 ASN CA . 6504 1
146 . 1 1 14 14 ASN CB C 13 37.655 0.4 . . . . . . 14 ASN CB . 6504 1
147 . 1 1 14 14 ASN N N 15 117.999 0.4 . . . . . . 14 ASN N . 6504 1
148 . 1 1 14 14 ASN ND2 N 15 111.06 0.4 . . . . . . 14 ASN ND2 . 6504 1
149 . 1 1 15 15 VAL H H 1 8.12 0.05 . . . . . . 15 VAL H . 6504 1
150 . 1 1 15 15 VAL HA H 1 3.71 0.05 . . . . . . 15 VAL HA . 6504 1
151 . 1 1 15 15 VAL HB H 1 2.176 0.05 . . . . . . 15 VAL HB . 6504 1
152 . 1 1 15 15 VAL HG11 H 1 1.139 0.05 . . . . . . 15 VAL HG1 . 6504 1
153 . 1 1 15 15 VAL HG12 H 1 1.139 0.05 . . . . . . 15 VAL HG1 . 6504 1
154 . 1 1 15 15 VAL HG13 H 1 1.139 0.05 . . . . . . 15 VAL HG1 . 6504 1
155 . 1 1 15 15 VAL HG21 H 1 0.958 0.05 . . . . . . 15 VAL HG2 . 6504 1
156 . 1 1 15 15 VAL HG22 H 1 0.958 0.05 . . . . . . 15 VAL HG2 . 6504 1
157 . 1 1 15 15 VAL HG23 H 1 0.958 0.05 . . . . . . 15 VAL HG2 . 6504 1
158 . 1 1 15 15 VAL C C 13 176.91 0.4 . . . . . . 15 VAL C . 6504 1
159 . 1 1 15 15 VAL CA C 13 66.78 0.4 . . . . . . 15 VAL CA . 6504 1
160 . 1 1 15 15 VAL CB C 13 31.628 0.4 . . . . . . 15 VAL CB . 6504 1
161 . 1 1 15 15 VAL CG1 C 13 23.31 0.4 . . . . . . 15 VAL CG1 . 6504 1
162 . 1 1 15 15 VAL CG2 C 13 22.222 0.4 . . . . . . 15 VAL CG2 . 6504 1
163 . 1 1 15 15 VAL N N 15 121.358 0.4 . . . . . . 15 VAL N . 6504 1
164 . 1 1 16 16 CYS H H 1 8.07 0.05 . . . . . . 16 CYS H . 6504 1
165 . 1 1 16 16 CYS HA H 1 3.87 0.05 . . . . . . 16 CYS HA . 6504 1
166 . 1 1 16 16 CYS HB2 H 1 3.442 0.05 . . . . . . 16 CYS HB2 . 6504 1
167 . 1 1 16 16 CYS HB3 H 1 3.004 0.05 . . . . . . 16 CYS HB3 . 6504 1
168 . 1 1 16 16 CYS C C 13 175.004 0.4 . . . . . . 16 CYS C . 6504 1
169 . 1 1 16 16 CYS CA C 13 59.56 0.4 . . . . . . 16 CYS CA . 6504 1
170 . 1 1 16 16 CYS CB C 13 38.596 0.4 . . . . . . 16 CYS CB . 6504 1
171 . 1 1 16 16 CYS N N 15 117.466 0.4 . . . . . . 16 CYS N . 6504 1
172 . 1 1 17 17 ARG H H 1 7.749 0.05 . . . . . . 17 ARG H . 6504 1
173 . 1 1 17 17 ARG HA H 1 3.939 0.05 . . . . . . 17 ARG HA . 6504 1
174 . 1 1 17 17 ARG HB2 H 1 1.76 0.05 . . . . . . 17 ARG HB2 . 6504 1
175 . 1 1 17 17 ARG HB3 H 1 1.654 0.05 . . . . . . 17 ARG HB3 . 6504 1
176 . 1 1 17 17 ARG HG2 H 1 1.17 0.05 . . . . . . 17 ARG HG2 . 6504 1
177 . 1 1 17 17 ARG HD2 H 1 3.255 0.05 . . . . . . 17 ARG HD2 . 6504 1
178 . 1 1 17 17 ARG HD3 H 1 2.547 0.05 . . . . . . 17 ARG HD3 . 6504 1
179 . 1 1 17 17 ARG HE H 1 7.34 0.05 . . . . . . 17 ARG HE . 6504 1
180 . 1 1 17 17 ARG C C 13 178.954 0.4 . . . . . . 17 ARG C . 6504 1
181 . 1 1 17 17 ARG CA C 13 56.287 0.4 . . . . . . 17 ARG CA . 6504 1
182 . 1 1 17 17 ARG CB C 13 29.596 0.4 . . . . . . 17 ARG CB . 6504 1
183 . 1 1 17 17 ARG CG C 13 26.818 0.4 . . . . . . 17 ARG CG . 6504 1
184 . 1 1 17 17 ARG CD C 13 41.771 0.4 . . . . . . 17 ARG CD . 6504 1
185 . 1 1 17 17 ARG N N 15 115.134 0.4 . . . . . . 17 ARG N . 6504 1
186 . 1 1 17 17 ARG NE N 15 84.66 0.4 . . . . . . 17 ARG NE . 6504 1
187 . 1 1 18 18 LEU H H 1 7.714 0.05 . . . . . . 18 LEU H . 6504 1
188 . 1 1 18 18 LEU HA H 1 4.203 0.05 . . . . . . 18 LEU HA . 6504 1
189 . 1 1 18 18 LEU HB2 H 1 2.109 0.05 . . . . . . 18 LEU HB2 . 6504 1
190 . 1 1 18 18 LEU HB3 H 1 1.57 0.05 . . . . . . 18 LEU HB3 . 6504 1
191 . 1 1 18 18 LEU HG H 1 2.057 0.05 . . . . . . 18 LEU HG . 6504 1
192 . 1 1 18 18 LEU HD11 H 1 1.022 0.05 . . . . . . 18 LEU HD1 . 6504 1
193 . 1 1 18 18 LEU HD12 H 1 1.022 0.05 . . . . . . 18 LEU HD1 . 6504 1
194 . 1 1 18 18 LEU HD13 H 1 1.022 0.05 . . . . . . 18 LEU HD1 . 6504 1
195 . 1 1 18 18 LEU HD21 H 1 0.937 0.05 . . . . . . 18 LEU HD2 . 6504 1
196 . 1 1 18 18 LEU HD22 H 1 0.937 0.05 . . . . . . 18 LEU HD2 . 6504 1
197 . 1 1 18 18 LEU HD23 H 1 0.937 0.05 . . . . . . 18 LEU HD2 . 6504 1
198 . 1 1 18 18 LEU CA C 13 60.108 0.4 . . . . . . 18 LEU CA . 6504 1
199 . 1 1 18 18 LEU CB C 13 40.019 0.4 . . . . . . 18 LEU CB . 6504 1
200 . 1 1 18 18 LEU CG C 13 26.034 0.4 . . . . . . 18 LEU CG . 6504 1
201 . 1 1 18 18 LEU CD1 C 13 25.735 0.4 . . . . . . 18 LEU CD1 . 6504 1
202 . 1 1 18 18 LEU CD2 C 13 23.791 0.4 . . . . . . 18 LEU CD2 . 6504 1
203 . 1 1 18 18 LEU N N 15 123.63 0.4 . . . . . . 18 LEU N . 6504 1
204 . 1 1 19 19 PRO HA H 1 4.606 0.05 . . . . . . 19 PRO HA . 6504 1
205 . 1 1 19 19 PRO HB2 H 1 2.051 0.05 . . . . . . 19 PRO HB2 . 6504 1
206 . 1 1 19 19 PRO HG2 H 1 1.78 0.05 . . . . . . 19 PRO HG2 . 6504 1
207 . 1 1 19 19 PRO HD2 H 1 4.085 0.05 . . . . . . 19 PRO HD2 . 6504 1
208 . 1 1 19 19 PRO HD3 H 1 3.591 0.05 . . . . . . 19 PRO HD3 . 6504 1
209 . 1 1 19 19 PRO C C 13 174.923 0.4 . . . . . . 19 PRO C . 6504 1
210 . 1 1 19 19 PRO CA C 13 64.085 0.4 . . . . . . 19 PRO CA . 6504 1
211 . 1 1 19 19 PRO CB C 13 31.518 0.4 . . . . . . 19 PRO CB . 6504 1
212 . 1 1 19 19 PRO CG C 13 27.398 0.4 . . . . . . 19 PRO CG . 6504 1
213 . 1 1 19 19 PRO CD C 13 49.464 0.4 . . . . . . 19 PRO CD . 6504 1
214 . 1 1 20 20 GLY H H 1 7.926 0.05 . . . . . . 20 GLY H . 6504 1
215 . 1 1 20 20 GLY HA2 H 1 4.339 0.05 . . . . . . 20 GLY HA2 . 6504 1
216 . 1 1 20 20 GLY HA3 H 1 3.504 0.05 . . . . . . 20 GLY HA3 . 6504 1
217 . 1 1 20 20 GLY C C 13 173.019 0.4 . . . . . . 20 GLY C . 6504 1
218 . 1 1 20 20 GLY CA C 13 44.455 0.4 . . . . . . 20 GLY CA . 6504 1
219 . 1 1 20 20 GLY N N 15 103.237 0.4 . . . . . . 20 GLY N . 6504 1
220 . 1 1 21 21 THR H H 1 7.105 0.05 . . . . . . 21 THR H . 6504 1
221 . 1 1 21 21 THR HA H 1 3.845 0.05 . . . . . . 21 THR HA . 6504 1
222 . 1 1 21 21 THR HB H 1 3.902 0.05 . . . . . . 21 THR HB . 6504 1
223 . 1 1 21 21 THR HG21 H 1 1.19 0.05 . . . . . . 21 THR HG2 . 6504 1
224 . 1 1 21 21 THR HG22 H 1 1.19 0.05 . . . . . . 21 THR HG2 . 6504 1
225 . 1 1 21 21 THR HG23 H 1 1.19 0.05 . . . . . . 21 THR HG2 . 6504 1
226 . 1 1 21 21 THR CA C 13 60.512 0.4 . . . . . . 21 THR CA . 6504 1
227 . 1 1 21 21 THR CB C 13 69.351 0.4 . . . . . . 21 THR CB . 6504 1
228 . 1 1 21 21 THR CG2 C 13 23.811 0.4 . . . . . . 21 THR CG2 . 6504 1
229 . 1 1 21 21 THR N N 15 116.682 0.4 . . . . . . 21 THR N . 6504 1
230 . 1 1 22 22 PRO HA H 1 4.308 0.05 . . . . . . 22 PRO HA . 6504 1
231 . 1 1 22 22 PRO HB2 H 1 2.592 0.05 . . . . . . 22 PRO HB2 . 6504 1
232 . 1 1 22 22 PRO HB3 H 1 1.851 0.05 . . . . . . 22 PRO HB3 . 6504 1
233 . 1 1 22 22 PRO HG2 H 1 2.203 0.05 . . . . . . 22 PRO HG2 . 6504 1
234 . 1 1 22 22 PRO HG3 H 1 2.133 0.05 . . . . . . 22 PRO HG3 . 6504 1
235 . 1 1 22 22 PRO HD2 H 1 3.957 0.05 . . . . . . 22 PRO HD2 . 6504 1
236 . 1 1 22 22 PRO HD3 H 1 3.526 0.05 . . . . . . 22 PRO HD3 . 6504 1
237 . 1 1 22 22 PRO C C 13 176.967 0.4 . . . . . . 22 PRO C . 6504 1
238 . 1 1 22 22 PRO CA C 13 63.862 0.4 . . . . . . 22 PRO CA . 6504 1
239 . 1 1 22 22 PRO CB C 13 32.576 0.4 . . . . . . 22 PRO CB . 6504 1
240 . 1 1 22 22 PRO CG C 13 27.815 0.4 . . . . . . 22 PRO CG . 6504 1
241 . 1 1 22 22 PRO CD C 13 50.972 0.4 . . . . . . 22 PRO CD . 6504 1
242 . 1 1 23 23 GLU H H 1 9.129 0.05 . . . . . . 23 GLU H . 6504 1
243 . 1 1 23 23 GLU HA H 1 3.579 0.05 . . . . . . 23 GLU HA . 6504 1
244 . 1 1 23 23 GLU HB2 H 1 2.107 0.05 . . . . . . 23 GLU HB2 . 6504 1
245 . 1 1 23 23 GLU HG2 H 1 2.387 0.05 . . . . . . 23 GLU HG2 . 6504 1
246 . 1 1 23 23 GLU HG3 H 1 2.279 0.05 . . . . . . 23 GLU HG3 . 6504 1
247 . 1 1 23 23 GLU C C 13 177.841 0.4 . . . . . . 23 GLU C . 6504 1
248 . 1 1 23 23 GLU CA C 13 61.212 0.4 . . . . . . 23 GLU CA . 6504 1
249 . 1 1 23 23 GLU CB C 13 30.1 0.4 . . . . . . 23 GLU CB . 6504 1
250 . 1 1 23 23 GLU CG C 13 36.908 0.4 . . . . . . 23 GLU CG . 6504 1
251 . 1 1 23 23 GLU N N 15 124.992 0.4 . . . . . . 23 GLU N . 6504 1
252 . 1 1 24 24 ALA H H 1 9.284 0.05 . . . . . . 24 ALA H . 6504 1
253 . 1 1 24 24 ALA HA H 1 4.081 0.05 . . . . . . 24 ALA HA . 6504 1
254 . 1 1 24 24 ALA HB1 H 1 1.432 0.05 . . . . . . 24 ALA HB . 6504 1
255 . 1 1 24 24 ALA HB2 H 1 1.432 0.05 . . . . . . 24 ALA HB . 6504 1
256 . 1 1 24 24 ALA HB3 H 1 1.432 0.05 . . . . . . 24 ALA HB . 6504 1
257 . 1 1 24 24 ALA C C 13 180.514 0.4 . . . . . . 24 ALA C . 6504 1
258 . 1 1 24 24 ALA CA C 13 55.358 0.4 . . . . . . 24 ALA CA . 6504 1
259 . 1 1 24 24 ALA CB C 13 18.428 0.4 . . . . . . 24 ALA CB . 6504 1
260 . 1 1 24 24 ALA N N 15 119.535 0.4 . . . . . . 24 ALA N . 6504 1
261 . 1 1 25 25 LEU H H 1 6.935 0.05 . . . . . . 25 LEU H . 6504 1
262 . 1 1 25 25 LEU HA H 1 4.224 0.05 . . . . . . 25 LEU HA . 6504 1
263 . 1 1 25 25 LEU HB2 H 1 1.635 0.05 . . . . . . 25 LEU HB2 . 6504 1
264 . 1 1 25 25 LEU HB3 H 1 1.729 0.05 . . . . . . 25 LEU HB3 . 6504 1
265 . 1 1 25 25 LEU HG H 1 1.642 0.05 . . . . . . 25 LEU HG . 6504 1
266 . 1 1 25 25 LEU HD11 H 1 0.966 0.05 . . . . . . 25 LEU HD1 . 6504 1
267 . 1 1 25 25 LEU HD12 H 1 0.966 0.05 . . . . . . 25 LEU HD1 . 6504 1
268 . 1 1 25 25 LEU HD13 H 1 0.966 0.05 . . . . . . 25 LEU HD1 . 6504 1
269 . 1 1 25 25 LEU HD21 H 1 0.893 0.05 . . . . . . 25 LEU HD2 . 6504 1
270 . 1 1 25 25 LEU HD22 H 1 0.893 0.05 . . . . . . 25 LEU HD2 . 6504 1
271 . 1 1 25 25 LEU HD23 H 1 0.893 0.05 . . . . . . 25 LEU HD2 . 6504 1
272 . 1 1 25 25 LEU C C 13 178.277 0.4 . . . . . . 25 LEU C . 6504 1
273 . 1 1 25 25 LEU CA C 13 57.39 0.4 . . . . . . 25 LEU CA . 6504 1
274 . 1 1 25 25 LEU CB C 13 41.913 0.4 . . . . . . 25 LEU CB . 6504 1
275 . 1 1 25 25 LEU CG C 13 27.36 0.4 . . . . . . 25 LEU CG . 6504 1
276 . 1 1 25 25 LEU CD1 C 13 24.899 0.4 . . . . . . 25 LEU CD1 . 6504 1
277 . 1 1 25 25 LEU CD2 C 13 24.336 0.4 . . . . . . 25 LEU CD2 . 6504 1
278 . 1 1 25 25 LEU N N 15 117.504 0.4 . . . . . . 25 LEU N . 6504 1
279 . 1 1 26 26 CYS H H 1 7.685 0.05 . . . . . . 26 CYS H . 6504 1
280 . 1 1 26 26 CYS HA H 1 4.543 0.05 . . . . . . 26 CYS HA . 6504 1
281 . 1 1 26 26 CYS HB2 H 1 2.625 0.05 . . . . . . 26 CYS HB2 . 6504 1
282 . 1 1 26 26 CYS HB3 H 1 2.44 0.05 . . . . . . 26 CYS HB3 . 6504 1
283 . 1 1 26 26 CYS C C 13 178.393 0.4 . . . . . . 26 CYS C . 6504 1
284 . 1 1 26 26 CYS CA C 13 56.673 0.4 . . . . . . 26 CYS CA . 6504 1
285 . 1 1 26 26 CYS CB C 13 38.213 0.4 . . . . . . 26 CYS CB . 6504 1
286 . 1 1 26 26 CYS N N 15 115.132 0.4 . . . . . . 26 CYS N . 6504 1
287 . 1 1 27 27 ALA H H 1 9.34 0.05 . . . . . . 27 ALA H . 6504 1
288 . 1 1 27 27 ALA HA H 1 3.961 0.05 . . . . . . 27 ALA HA . 6504 1
289 . 1 1 27 27 ALA HB1 H 1 1.461 0.05 . . . . . . 27 ALA HB . 6504 1
290 . 1 1 27 27 ALA HB2 H 1 1.461 0.05 . . . . . . 27 ALA HB . 6504 1
291 . 1 1 27 27 ALA HB3 H 1 1.461 0.05 . . . . . . 27 ALA HB . 6504 1
292 . 1 1 27 27 ALA C C 13 177.447 0.4 . . . . . . 27 ALA C . 6504 1
293 . 1 1 27 27 ALA CA C 13 56.836 0.4 . . . . . . 27 ALA CA . 6504 1
294 . 1 1 27 27 ALA CB C 13 17.119 0.4 . . . . . . 27 ALA CB . 6504 1
295 . 1 1 27 27 ALA N N 15 125.624 0.4 . . . . . . 27 ALA N . 6504 1
296 . 1 1 28 28 THR H H 1 7.732 0.05 . . . . . . 28 THR H . 6504 1
297 . 1 1 28 28 THR HA H 1 3.956 0.05 . . . . . . 28 THR HA . 6504 1
298 . 1 1 28 28 THR HB H 1 4.235 0.05 . . . . . . 28 THR HB . 6504 1
299 . 1 1 28 28 THR HG21 H 1 1.113 0.05 . . . . . . 28 THR HG2 . 6504 1
300 . 1 1 28 28 THR HG22 H 1 1.113 0.05 . . . . . . 28 THR HG2 . 6504 1
301 . 1 1 28 28 THR HG23 H 1 1.113 0.05 . . . . . . 28 THR HG2 . 6504 1
302 . 1 1 28 28 THR C C 13 176.91 0.4 . . . . . . 28 THR C . 6504 1
303 . 1 1 28 28 THR CA C 13 66.83 0.4 . . . . . . 28 THR CA . 6504 1
304 . 1 1 28 28 THR CB C 13 68.822 0.4 . . . . . . 28 THR CB . 6504 1
305 . 1 1 28 28 THR CG2 C 13 21.705 0.4 . . . . . . 28 THR CG2 . 6504 1
306 . 1 1 28 28 THR N N 15 114.182 0.4 . . . . . . 28 THR N . 6504 1
307 . 1 1 29 29 TYR H H 1 7.948 0.05 . . . . . . 29 TYR H . 6504 1
308 . 1 1 29 29 TYR HA H 1 4.338 0.05 . . . . . . 29 TYR HA . 6504 1
309 . 1 1 29 29 TYR HB2 H 1 3.155 0.05 . . . . . . 29 TYR HB2 . 6504 1
310 . 1 1 29 29 TYR HB3 H 1 2.979 0.05 . . . . . . 29 TYR HB3 . 6504 1
311 . 1 1 29 29 TYR HD1 H 1 6.98 0.05 . . . . . . 29 TYR HD1 . 6504 1
312 . 1 1 29 29 TYR HD2 H 1 7.159 0.05 . . . . . . 29 TYR HD2 . 6504 1
313 . 1 1 29 29 TYR C C 13 175.769 0.4 . . . . . . 29 TYR C . 6504 1
314 . 1 1 29 29 TYR CA C 13 61.353 0.4 . . . . . . 29 TYR CA . 6504 1
315 . 1 1 29 29 TYR CB C 13 39.252 0.4 . . . . . . 29 TYR CB . 6504 1
316 . 1 1 29 29 TYR N N 15 117.116 0.4 . . . . . . 29 TYR N . 6504 1
317 . 1 1 30 30 THR H H 1 7.662 0.05 . . . . . . 30 THR H . 6504 1
318 . 1 1 30 30 THR HA H 1 4.501 0.05 . . . . . . 30 THR HA . 6504 1
319 . 1 1 30 30 THR HB H 1 4.68 0.05 . . . . . . 30 THR HB . 6504 1
320 . 1 1 30 30 THR HG21 H 1 1.384 0.05 . . . . . . 30 THR HG2 . 6504 1
321 . 1 1 30 30 THR HG22 H 1 1.384 0.05 . . . . . . 30 THR HG2 . 6504 1
322 . 1 1 30 30 THR HG23 H 1 1.384 0.05 . . . . . . 30 THR HG2 . 6504 1
323 . 1 1 30 30 THR C C 13 176.295 0.4 . . . . . . 30 THR C . 6504 1
324 . 1 1 30 30 THR CA C 13 62.632 0.4 . . . . . . 30 THR CA . 6504 1
325 . 1 1 30 30 THR CB C 13 71.955 0.4 . . . . . . 30 THR CB . 6504 1
326 . 1 1 30 30 THR CG2 C 13 21.932 0.4 . . . . . . 30 THR CG2 . 6504 1
327 . 1 1 30 30 THR N N 15 103.889 0.4 . . . . . . 30 THR N . 6504 1
328 . 1 1 31 31 GLY H H 1 8.091 0.05 . . . . . . 31 GLY H . 6504 1
329 . 1 1 31 31 GLY HA2 H 1 4.38 0.05 . . . . . . 31 GLY HA2 . 6504 1
330 . 1 1 31 31 GLY HA3 H 1 3.93 0.05 . . . . . . 31 GLY HA3 . 6504 1
331 . 1 1 31 31 GLY C C 13 175.302 0.4 . . . . . . 31 GLY C . 6504 1
332 . 1 1 31 31 GLY CA C 13 45.415 0.4 . . . . . . 31 GLY CA . 6504 1
333 . 1 1 31 31 GLY N N 15 108.845 0.4 . . . . . . 31 GLY N . 6504 1
334 . 1 1 32 32 CYS H H 1 7.699 0.05 . . . . . . 32 CYS H . 6504 1
335 . 1 1 32 32 CYS HA H 1 5.089 0.05 . . . . . . 32 CYS HA . 6504 1
336 . 1 1 32 32 CYS HB2 H 1 2.826 0.05 . . . . . . 32 CYS HB2 . 6504 1
337 . 1 1 32 32 CYS HB3 H 1 2.488 0.05 . . . . . . 32 CYS HB3 . 6504 1
338 . 1 1 32 32 CYS C C 13 171.336 0.4 . . . . . . 32 CYS C . 6504 1
339 . 1 1 32 32 CYS CA C 13 59.122 0.4 . . . . . . 32 CYS CA . 6504 1
340 . 1 1 32 32 CYS CB C 13 47.77 0.4 . . . . . . 32 CYS CB . 6504 1
341 . 1 1 32 32 CYS N N 15 116.879 0.4 . . . . . . 32 CYS N . 6504 1
342 . 1 1 33 33 ILE H H 1 9.019 0.05 . . . . . . 33 ILE H . 6504 1
343 . 1 1 33 33 ILE HA H 1 4.626 0.05 . . . . . . 33 ILE HA . 6504 1
344 . 1 1 33 33 ILE HB H 1 1.521 0.05 . . . . . . 33 ILE HB . 6504 1
345 . 1 1 33 33 ILE HG12 H 1 0.868 0.05 . . . . . . 33 ILE HG12 . 6504 1
346 . 1 1 33 33 ILE HG13 H 1 0.469 0.05 . . . . . . 33 ILE HG13 . 6504 1
347 . 1 1 33 33 ILE HG21 H 1 0.473 0.05 . . . . . . 33 ILE HG2 . 6504 1
348 . 1 1 33 33 ILE HG22 H 1 0.473 0.05 . . . . . . 33 ILE HG2 . 6504 1
349 . 1 1 33 33 ILE HG23 H 1 0.473 0.05 . . . . . . 33 ILE HG2 . 6504 1
350 . 1 1 33 33 ILE HD11 H 1 -0.022 0.05 . . . . . . 33 ILE HD1 . 6504 1
351 . 1 1 33 33 ILE HD12 H 1 -0.022 0.05 . . . . . . 33 ILE HD1 . 6504 1
352 . 1 1 33 33 ILE HD13 H 1 -0.022 0.05 . . . . . . 33 ILE HD1 . 6504 1
353 . 1 1 33 33 ILE C C 13 173.759 0.4 . . . . . . 33 ILE C . 6504 1
354 . 1 1 33 33 ILE CA C 13 59.827 0.4 . . . . . . 33 ILE CA . 6504 1
355 . 1 1 33 33 ILE CB C 13 41.718 0.4 . . . . . . 33 ILE CB . 6504 1
356 . 1 1 33 33 ILE CG1 C 13 25.755 0.4 . . . . . . 33 ILE CG1 . 6504 1
357 . 1 1 33 33 ILE CG2 C 13 16.925 0.4 . . . . . . 33 ILE CG2 . 6504 1
358 . 1 1 33 33 ILE CD1 C 13 12.722 0.4 . . . . . . 33 ILE CD1 . 6504 1
359 . 1 1 33 33 ILE N N 15 113.543 0.4 . . . . . . 33 ILE N . 6504 1
360 . 1 1 34 34 ILE H H 1 8.33 0.05 . . . . . . 34 ILE H . 6504 1
361 . 1 1 34 34 ILE HA H 1 4.721 0.05 . . . . . . 34 ILE HA . 6504 1
362 . 1 1 34 34 ILE HB H 1 1.631 0.05 . . . . . . 34 ILE HB . 6504 1
363 . 1 1 34 34 ILE HG12 H 1 1.198 0.05 . . . . . . 34 ILE HG12 . 6504 1
364 . 1 1 34 34 ILE HG13 H 1 1.086 0.05 . . . . . . 34 ILE HG13 . 6504 1
365 . 1 1 34 34 ILE HG21 H 1 0.695 0.05 . . . . . . 34 ILE HG2 . 6504 1
366 . 1 1 34 34 ILE HG22 H 1 0.695 0.05 . . . . . . 34 ILE HG2 . 6504 1
367 . 1 1 34 34 ILE HG23 H 1 0.695 0.05 . . . . . . 34 ILE HG2 . 6504 1
368 . 1 1 34 34 ILE HD11 H 1 0.714 0.05 . . . . . . 34 ILE HD1 . 6504 1
369 . 1 1 34 34 ILE HD12 H 1 0.714 0.05 . . . . . . 34 ILE HD1 . 6504 1
370 . 1 1 34 34 ILE HD13 H 1 0.714 0.05 . . . . . . 34 ILE HD1 . 6504 1
371 . 1 1 34 34 ILE C C 13 176.601 0.4 . . . . . . 34 ILE C . 6504 1
372 . 1 1 34 34 ILE CA C 13 59.992 0.4 . . . . . . 34 ILE CA . 6504 1
373 . 1 1 34 34 ILE CB C 13 38.346 0.4 . . . . . . 34 ILE CB . 6504 1
374 . 1 1 34 34 ILE CG1 C 13 27.2 0.4 . . . . . . 34 ILE CG1 . 6504 1
375 . 1 1 34 34 ILE CG2 C 13 17.267 0.4 . . . . . . 34 ILE CG2 . 6504 1
376 . 1 1 34 34 ILE CD1 C 13 13.144 0.4 . . . . . . 34 ILE CD1 . 6504 1
377 . 1 1 34 34 ILE N N 15 122.242 0.4 . . . . . . 34 ILE N . 6504 1
378 . 1 1 35 35 ILE H H 1 8.758 0.05 . . . . . . 35 ILE H . 6504 1
379 . 1 1 35 35 ILE HA H 1 4.92 0.05 . . . . . . 35 ILE HA . 6504 1
380 . 1 1 35 35 ILE HB H 1 1.99 0.05 . . . . . . 35 ILE HB . 6504 1
381 . 1 1 35 35 ILE HG12 H 1 1.41 0.05 . . . . . . 35 ILE HG12 . 6504 1
382 . 1 1 35 35 ILE HG13 H 1 0.84 0.05 . . . . . . 35 ILE HG13 . 6504 1
383 . 1 1 35 35 ILE HG21 H 1 0.715 0.05 . . . . . . 35 ILE HG2 . 6504 1
384 . 1 1 35 35 ILE HG22 H 1 0.715 0.05 . . . . . . 35 ILE HG2 . 6504 1
385 . 1 1 35 35 ILE HG23 H 1 0.715 0.05 . . . . . . 35 ILE HG2 . 6504 1
386 . 1 1 35 35 ILE HD11 H 1 0.591 0.05 . . . . . . 35 ILE HD1 . 6504 1
387 . 1 1 35 35 ILE HD12 H 1 0.591 0.05 . . . . . . 35 ILE HD1 . 6504 1
388 . 1 1 35 35 ILE HD13 H 1 0.591 0.05 . . . . . . 35 ILE HD1 . 6504 1
389 . 1 1 35 35 ILE CA C 13 57.593 0.4 . . . . . . 35 ILE CA . 6504 1
390 . 1 1 35 35 ILE CB C 13 39.429 0.4 . . . . . . 35 ILE CB . 6504 1
391 . 1 1 35 35 ILE CG1 C 13 25.832 0.4 . . . . . . 35 ILE CG1 . 6504 1
392 . 1 1 35 35 ILE CG2 C 13 17.565 0.4 . . . . . . 35 ILE CG2 . 6504 1
393 . 1 1 35 35 ILE CD1 C 13 14.875 0.4 . . . . . . 35 ILE CD1 . 6504 1
394 . 1 1 35 35 ILE N N 15 121.463 0.4 . . . . . . 35 ILE N . 6504 1
395 . 1 1 36 36 PRO HA H 1 4.541 0.05 . . . . . . 36 PRO HA . 6504 1
396 . 1 1 36 36 PRO HB2 H 1 2.228 0.05 . . . . . . 36 PRO HB2 . 6504 1
397 . 1 1 36 36 PRO HB3 H 1 1.981 0.05 . . . . . . 36 PRO HB3 . 6504 1
398 . 1 1 36 36 PRO HD2 H 1 3.788 0.05 . . . . . . 36 PRO HD2 . 6504 1
399 . 1 1 36 36 PRO HD3 H 1 3.714 0.05 . . . . . . 36 PRO HD3 . 6504 1
400 . 1 1 36 36 PRO C C 13 178.852 0.4 . . . . . . 36 PRO C . 6504 1
401 . 1 1 36 36 PRO CA C 13 63.393 0.4 . . . . . . 36 PRO CA . 6504 1
402 . 1 1 36 36 PRO CB C 13 32.068 0.4 . . . . . . 36 PRO CB . 6504 1
403 . 1 1 36 36 PRO CD C 13 50.52 0.4 . . . . . . 36 PRO CD . 6504 1
404 . 1 1 37 37 GLY H H 1 7.598 0.05 . . . . . . 37 GLY H . 6504 1
405 . 1 1 37 37 GLY HA2 H 1 4.18 0.05 . . . . . . 37 GLY HA2 . 6504 1
406 . 1 1 37 37 GLY HA3 H 1 3.815 0.05 . . . . . . 37 GLY HA3 . 6504 1
407 . 1 1 37 37 GLY C C 13 172.864 0.4 . . . . . . 37 GLY C . 6504 1
408 . 1 1 37 37 GLY CA C 13 44.395 0.4 . . . . . . 37 GLY CA . 6504 1
409 . 1 1 37 37 GLY N N 15 107.367 0.4 . . . . . . 37 GLY N . 6504 1
410 . 1 1 38 38 ALA H H 1 8.278 0.05 . . . . . . 38 ALA H . 6504 1
411 . 1 1 38 38 ALA HA H 1 4.281 0.05 . . . . . . 38 ALA HA . 6504 1
412 . 1 1 38 38 ALA HB1 H 1 1.403 0.05 . . . . . . 38 ALA HB . 6504 1
413 . 1 1 38 38 ALA HB2 H 1 1.403 0.05 . . . . . . 38 ALA HB . 6504 1
414 . 1 1 38 38 ALA HB3 H 1 1.403 0.05 . . . . . . 38 ALA HB . 6504 1
415 . 1 1 38 38 ALA C C 13 177.748 0.4 . . . . . . 38 ALA C . 6504 1
416 . 1 1 38 38 ALA CA C 13 53.124 0.4 . . . . . . 38 ALA CA . 6504 1
417 . 1 1 38 38 ALA CB C 13 20.491 0.4 . . . . . . 38 ALA CB . 6504 1
418 . 1 1 38 38 ALA N N 15 119.136 0.4 . . . . . . 38 ALA N . 6504 1
419 . 1 1 39 39 THR H H 1 7.705 0.05 . . . . . . 39 THR H . 6504 1
420 . 1 1 39 39 THR HA H 1 4.427 0.05 . . . . . . 39 THR HA . 6504 1
421 . 1 1 39 39 THR HB H 1 3.895 0.05 . . . . . . 39 THR HB . 6504 1
422 . 1 1 39 39 THR HG21 H 1 1.151 0.05 . . . . . . 39 THR HG2 . 6504 1
423 . 1 1 39 39 THR HG22 H 1 1.151 0.05 . . . . . . 39 THR HG2 . 6504 1
424 . 1 1 39 39 THR HG23 H 1 1.151 0.05 . . . . . . 39 THR HG2 . 6504 1
425 . 1 1 39 39 THR C C 13 173.824 0.4 . . . . . . 39 THR C . 6504 1
426 . 1 1 39 39 THR CA C 13 60.977 0.4 . . . . . . 39 THR CA . 6504 1
427 . 1 1 39 39 THR CB C 13 70.119 0.4 . . . . . . 39 THR CB . 6504 1
428 . 1 1 39 39 THR CG2 C 13 21.841 0.4 . . . . . . 39 THR CG2 . 6504 1
429 . 1 1 39 39 THR N N 15 112.366 0.4 . . . . . . 39 THR N . 6504 1
430 . 1 1 40 40 CYS H H 1 9.036 0.05 . . . . . . 40 CYS H . 6504 1
431 . 1 1 40 40 CYS HA H 1 4.69 0.05 . . . . . . 40 CYS HA . 6504 1
432 . 1 1 40 40 CYS HB2 H 1 3.358 0.05 . . . . . . 40 CYS HB2 . 6504 1
433 . 1 1 40 40 CYS HB3 H 1 2.64 0.05 . . . . . . 40 CYS HB3 . 6504 1
434 . 1 1 40 40 CYS CA C 13 54.595 0.4 . . . . . . 40 CYS CA . 6504 1
435 . 1 1 40 40 CYS CB C 13 39.696 0.4 . . . . . . 40 CYS CB . 6504 1
436 . 1 1 40 40 CYS N N 15 126.779 0.4 . . . . . . 40 CYS N . 6504 1
437 . 1 1 41 41 PRO HA H 1 4.568 0.05 . . . . . . 41 PRO HA . 6504 1
438 . 1 1 41 41 PRO HB2 H 1 2.43 0.05 . . . . . . 41 PRO HB2 . 6504 1
439 . 1 1 41 41 PRO HB3 H 1 2.223 0.05 . . . . . . 41 PRO HB3 . 6504 1
440 . 1 1 41 41 PRO HG2 H 1 1.946 0.05 . . . . . . 41 PRO HG2 . 6504 1
441 . 1 1 41 41 PRO HD2 H 1 3.791 0.05 . . . . . . 41 PRO HD2 . 6504 1
442 . 1 1 41 41 PRO HD3 H 1 3.52 0.05 . . . . . . 41 PRO HD3 . 6504 1
443 . 1 1 41 41 PRO C C 13 178.117 0.4 . . . . . . 41 PRO C . 6504 1
444 . 1 1 41 41 PRO CA C 13 62.509 0.4 . . . . . . 41 PRO CA . 6504 1
445 . 1 1 41 41 PRO CB C 13 32.467 0.4 . . . . . . 41 PRO CB . 6504 1
446 . 1 1 41 41 PRO CD C 13 49.95 0.4 . . . . . . 41 PRO CD . 6504 1
447 . 1 1 42 42 GLY H H 1 8.706 0.05 . . . . . . 42 GLY H . 6504 1
448 . 1 1 42 42 GLY HA2 H 1 3.885 0.05 . . . . . . 42 GLY HA2 . 6504 1
449 . 1 1 42 42 GLY HA3 H 1 3.774 0.05 . . . . . . 42 GLY HA3 . 6504 1
450 . 1 1 42 42 GLY C C 13 174.441 0.4 . . . . . . 42 GLY C . 6504 1
451 . 1 1 42 42 GLY CA C 13 47.375 0.4 . . . . . . 42 GLY CA . 6504 1
452 . 1 1 42 42 GLY N N 15 107.63 0.4 . . . . . . 42 GLY N . 6504 1
453 . 1 1 43 43 ASP H H 1 8.876 0.05 . . . . . . 43 ASP H . 6504 1
454 . 1 1 43 43 ASP HA H 1 4.501 0.05 . . . . . . 43 ASP HA . 6504 1
455 . 1 1 43 43 ASP HB2 H 1 2.665 0.05 . . . . . . 43 ASP HB2 . 6504 1
456 . 1 1 43 43 ASP HB3 H 1 2.593 0.05 . . . . . . 43 ASP HB3 . 6504 1
457 . 1 1 43 43 ASP C C 13 175.339 0.4 . . . . . . 43 ASP C . 6504 1
458 . 1 1 43 43 ASP CA C 13 53.888 0.4 . . . . . . 43 ASP CA . 6504 1
459 . 1 1 43 43 ASP CB C 13 38.706 0.4 . . . . . . 43 ASP CB . 6504 1
460 . 1 1 43 43 ASP N N 15 114.881 0.4 . . . . . . 43 ASP N . 6504 1
461 . 1 1 44 44 TYR H H 1 7.963 0.05 . . . . . . 44 TYR H . 6504 1
462 . 1 1 44 44 TYR HA H 1 4.369 0.05 . . . . . . 44 TYR HA . 6504 1
463 . 1 1 44 44 TYR HB2 H 1 2.625 0.05 . . . . . . 44 TYR HB2 . 6504 1
464 . 1 1 44 44 TYR HB3 H 1 2.328 0.05 . . . . . . 44 TYR HB3 . 6504 1
465 . 1 1 44 44 TYR HD1 H 1 6.824 0.05 . . . . . . 44 TYR HD1 . 6504 1
466 . 1 1 44 44 TYR HD2 H 1 6.63 0.05 . . . . . . 44 TYR HD2 . 6504 1
467 . 1 1 44 44 TYR HE1 H 1 6.932 0.05 . . . . . . 44 TYR HE1 . 6504 1
468 . 1 1 44 44 TYR C C 13 174.435 0.4 . . . . . . 44 TYR C . 6504 1
469 . 1 1 44 44 TYR CA C 13 56.728 0.4 . . . . . . 44 TYR CA . 6504 1
470 . 1 1 44 44 TYR CB C 13 39.675 0.4 . . . . . . 44 TYR CB . 6504 1
471 . 1 1 44 44 TYR N N 15 121.898 0.4 . . . . . . 44 TYR N . 6504 1
472 . 1 1 45 45 ALA H H 1 7.774 0.05 . . . . . . 45 ALA H . 6504 1
473 . 1 1 45 45 ALA HA H 1 4.361 0.05 . . . . . . 45 ALA HA . 6504 1
474 . 1 1 45 45 ALA HB1 H 1 1.322 0.05 . . . . . . 45 ALA HB . 6504 1
475 . 1 1 45 45 ALA HB2 H 1 1.322 0.05 . . . . . . 45 ALA HB . 6504 1
476 . 1 1 45 45 ALA HB3 H 1 1.322 0.05 . . . . . . 45 ALA HB . 6504 1
477 . 1 1 45 45 ALA C C 13 177.373 0.4 . . . . . . 45 ALA C . 6504 1
478 . 1 1 45 45 ALA CA C 13 52.361 0.4 . . . . . . 45 ALA CA . 6504 1
479 . 1 1 45 45 ALA CB C 13 19.347 0.4 . . . . . . 45 ALA CB . 6504 1
480 . 1 1 45 45 ALA N N 15 120.755 0.4 . . . . . . 45 ALA N . 6504 1
481 . 1 1 46 46 ASN H H 1 8.138 0.05 . . . . . . 46 ASN H . 6504 1
482 . 1 1 46 46 ASN HA H 1 4.67 0.05 . . . . . . 46 ASN HA . 6504 1
483 . 1 1 46 46 ASN HB2 H 1 2.56 0.05 . . . . . . 46 ASN HB2 . 6504 1
484 . 1 1 46 46 ASN HB3 H 1 1.776 0.05 . . . . . . 46 ASN HB3 . 6504 1
485 . 1 1 46 46 ASN HD21 H 1 6.872 0.05 . . . . . . 46 ASN HD21 . 6504 1
486 . 1 1 46 46 ASN CA C 13 54.588 0.4 . . . . . . 46 ASN CA . 6504 1
487 . 1 1 46 46 ASN CB C 13 42.51 0.4 . . . . . . 46 ASN CB . 6504 1
488 . 1 1 46 46 ASN N N 15 121.95 0.4 . . . . . . 46 ASN N . 6504 1
489 . 1 1 46 46 ASN ND2 N 15 111.187 0.4 . . . . . . 46 ASN ND2 . 6504 1
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