###################################
# 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_CD2AP_SH3-A
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode CD2AP_SH3-A
_Assigned_chem_shift_list.Entry_ID 19447
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference
_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' . . . 19447 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 VAL H H 1 7.1985 . . 1 . . . A 2 VAL H1 . 19447 1
2 . 1 1 1 1 VAL N N 15 104.2422 . . 1 . . . A 2 VAL N . 19447 1
3 . 1 1 2 2 ASP H H 1 9.2149 . . 1 . . . A 3 ASP H . 19447 1
4 . 1 1 2 2 ASP N N 15 128.6060 . . 1 . . . A 3 ASP N . 19447 1
5 . 1 1 3 3 TYR H H 1 9.3242 . . 1 . . . A 4 TYR H . 19447 1
6 . 1 1 3 3 TYR N N 15 120.1495 . . 1 . . . A 4 TYR N . 19447 1
7 . 1 1 4 4 ILE H H 1 9.4176 . . 1 . . . A 5 ILE H . 19447 1
8 . 1 1 4 4 ILE N N 15 119.2504 . . 1 . . . A 5 ILE N . 19447 1
9 . 1 1 5 5 VAL H H 1 8.5314 . . 1 . . . A 6 VAL H . 19447 1
10 . 1 1 5 5 VAL N N 15 126.1500 . . 1 . . . A 6 VAL N . 19447 1
11 . 1 1 6 6 GLU H H 1 9.2403 . . 1 . . . A 7 GLU H . 19447 1
12 . 1 1 6 6 GLU N N 15 129.2890 . . 1 . . . A 7 GLU N . 19447 1
13 . 1 1 7 7 TYR H H 1 7.7246 . . 1 . . . A 8 TYR H . 19447 1
14 . 1 1 7 7 TYR N N 15 117.5000 . . 1 . . . A 8 TYR N . 19447 1
15 . 1 1 8 8 ASP H H 1 8.0263 . . 1 . . . A 9 ASP H . 19447 1
16 . 1 1 8 8 ASP N N 15 118.9636 . . 1 . . . A 9 ASP N . 19447 1
17 . 1 1 9 9 TYR H H 1 8.1342 . . 1 . . . A 10 TYR H . 19447 1
18 . 1 1 9 9 TYR N N 15 118.3098 . . 1 . . . A 10 TYR N . 19447 1
19 . 1 1 10 10 ASP H H 1 7.8067 . . 1 . . . A 11 ASP H . 19447 1
20 . 1 1 10 10 ASP N N 15 128.4192 . . 1 . . . A 11 ASP N . 19447 1
21 . 1 1 11 11 ALA H H 1 7.7854 . . 1 . . . A 12 ALA H . 19447 1
22 . 1 1 11 11 ALA N N 15 123.0842 . . 1 . . . A 12 ALA N . 19447 1
23 . 1 1 12 12 VAL H H 1 8.5167 . . 1 . . . A 13 VAL H . 19447 1
24 . 1 1 12 12 VAL N N 15 118.5913 . . 1 . . . A 13 VAL N . 19447 1
25 . 1 1 13 13 HIS H H 1 7.0489 . . 1 . . . A 14 HIS H . 19447 1
26 . 1 1 13 13 HIS N N 15 115.1454 . . 1 . . . A 14 HIS N . 19447 1
27 . 1 1 14 14 ASP H H 1 8.8229 . . 1 . . . A 15 ASP H . 19447 1
28 . 1 1 14 14 ASP N N 15 120.6948 . . 1 . . . A 15 ASP N . 19447 1
29 . 1 1 15 15 ASP H H 1 8.4443 . . 1 . . . A 16 ASP H . 19447 1
30 . 1 1 15 15 ASP N N 15 115.8856 . . 1 . . . A 16 ASP N . 19447 1
31 . 1 1 16 16 GLU H H 1 7.7616 . . 1 . . . A 17 GLU H . 19447 1
32 . 1 1 16 16 GLU N N 15 119.6430 . . 1 . . . A 17 GLU N . 19447 1
33 . 1 1 17 17 LEU H H 1 8.9244 . . 1 . . . A 18 LEU H . 19447 1
34 . 1 1 17 17 LEU N N 15 120.6865 . . 1 . . . A 18 LEU N . 19447 1
35 . 1 1 18 18 THR H H 1 7.4620 . . 1 . . . A 19 THR H . 19447 1
36 . 1 1 18 18 THR N N 15 117.2276 . . 1 . . . A 19 THR N . 19447 1
37 . 1 1 19 19 ILE H H 1 9.2689 . . 1 . . . A 20 ILE H . 19447 1
38 . 1 1 19 19 ILE N N 15 121.4752 . . 1 . . . A 20 ILE N . 19447 1
39 . 1 1 20 20 ARG H H 1 8.8093 . . 1 . . . A 21 ARG H . 19447 1
40 . 1 1 20 20 ARG N N 15 124.9405 . . 1 . . . A 21 ARG N . 19447 1
41 . 1 1 21 21 VAL H H 1 7.9940 . . 1 . . . A 22 VAL H . 19447 1
42 . 1 1 21 21 VAL N N 15 118.2997 . . 1 . . . A 22 VAL N . 19447 1
43 . 1 1 22 22 GLY H H 1 8.6898 . . 1 . . . A 23 GLY H . 19447 1
44 . 1 1 22 22 GLY N N 15 114.5722 . . 1 . . . A 23 GLY N . 19447 1
45 . 1 1 23 23 GLU H H 1 8.0757 . . 1 . . . A 24 GLU H . 19447 1
46 . 1 1 23 23 GLU N N 15 120.0048 . . 1 . . . A 24 GLU N . 19447 1
47 . 1 1 24 24 ILE H H 1 7.9721 . . 1 . . . A 25 ILE H . 19447 1
48 . 1 1 24 24 ILE N N 15 119.3760 . . 1 . . . A 25 ILE N . 19447 1
49 . 1 1 25 25 ILE H H 1 9.3210 . . 1 . . . A 26 ILE H . 19447 1
50 . 1 1 25 25 ILE N N 15 128.3572 . . 1 . . . A 26 ILE N . 19447 1
51 . 1 1 26 26 ARG H H 1 8.6547 . . 1 . . . A 27 ARG H . 19447 1
52 . 1 1 26 26 ARG N N 15 123.6202 . . 1 . . . A 27 ARG N . 19447 1
53 . 1 1 27 27 ASN H H 1 8.6079 . . 1 . . . A 28 ASN H . 19447 1
54 . 1 1 27 27 ASN N N 15 117.4519 . . 1 . . . A 28 ASN N . 19447 1
55 . 1 1 28 28 VAL H H 1 8.6610 . . 1 . . . A 29 VAL H . 19447 1
56 . 1 1 28 28 VAL N N 15 120.5800 . . 1 . . . A 29 VAL N . 19447 1
57 . 1 1 29 29 LYS H H 1 9.3840 . . 1 . . . A 30 LYS H . 19447 1
58 . 1 1 29 29 LYS N N 15 127.3724 . . 1 . . . A 30 LYS N . 19447 1
59 . 1 1 30 30 LYS H H 1 8.4928 . . 1 . . . A 31 LYS H . 19447 1
60 . 1 1 30 30 LYS N N 15 121.8100 . . 1 . . . A 31 LYS N . 19447 1
61 . 1 1 31 31 LEU H H 1 7.6534 . . 1 . . . A 32 LEU H . 19447 1
62 . 1 1 31 31 LEU N N 15 123.3408 . . 1 . . . A 32 LEU N . 19447 1
63 . 1 1 32 32 GLN H H 1 8.4348 . . 1 . . . A 33 GLN H . 19447 1
64 . 1 1 32 32 GLN N N 15 118.3678 . . 1 . . . A 33 GLN N . 19447 1
65 . 1 1 33 33 GLU H H 1 7.3361 . . 1 . . . A 34 GLU H . 19447 1
66 . 1 1 33 33 GLU N N 15 119.3453 . . 1 . . . A 34 GLU N . 19447 1
67 . 1 1 34 34 GLU H H 1 8.3521 . . 1 . . . A 35 GLU H . 19447 1
68 . 1 1 34 34 GLU N N 15 126.2513 . . 1 . . . A 35 GLU N . 19447 1
69 . 1 1 35 35 GLY H H 1 8.5104 . . 1 . . . A 36 GLY H . 19447 1
70 . 1 1 35 35 GLY N N 15 111.3438 . . 1 . . . A 36 GLY N . 19447 1
71 . 1 1 36 36 TRP H H 1 7.7272 . . 1 . . . A 37 TRP H . 19447 1
72 . 1 1 36 36 TRP N N 15 119.2001 . . 1 . . . A 37 TRP N . 19447 1
73 . 1 1 37 37 LEU H H 1 8.4018 . . 1 . . . A 38 LEU H . 19447 1
74 . 1 1 37 37 LEU N N 15 123.0249 . . 1 . . . A 38 LEU N . 19447 1
75 . 1 1 38 38 GLU H H 1 8.4573 . . 1 . . . A 39 GLU H . 19447 1
76 . 1 1 38 38 GLU N N 15 117.5759 . . 1 . . . A 39 GLU N . 19447 1
77 . 1 1 39 39 GLY H H 1 8.7652 . . 1 . . . A 40 GLY H . 19447 1
78 . 1 1 39 39 GLY N N 15 110.7932 . . 1 . . . A 40 GLY N . 19447 1
79 . 1 1 40 40 GLU H H 1 9.0394 . . 1 . . . A 41 GLU H . 19447 1
80 . 1 1 40 40 GLU N N 15 118.9580 . . 1 . . . A 41 GLU N . 19447 1
81 . 1 1 41 41 LEU H H 1 9.0324 . . 1 . . . A 42 LEU H . 19447 1
82 . 1 1 41 41 LEU N N 15 127.6811 . . 1 . . . A 42 LEU N . 19447 1
83 . 1 1 42 42 ASN H H 1 9.5823 . . 1 . . . A 43 ASN H . 19447 1
84 . 1 1 42 42 ASN N N 15 126.6870 . . 1 . . . A 43 ASN N . 19447 1
85 . 1 1 43 43 GLY H H 1 8.9839 . . 1 . . . A 44 GLY H . 19447 1
86 . 1 1 43 43 GLY N N 15 104.0386 . . 1 . . . A 44 GLY N . 19447 1
87 . 1 1 44 44 ARG H H 1 7.7144 . . 1 . . . A 45 ARG H . 19447 1
88 . 1 1 44 44 ARG N N 15 120.1037 . . 1 . . . A 45 ARG N . 19447 1
89 . 1 1 45 45 ARG H H 1 8.5652 . . 1 . . . A 46 ARG H . 19447 1
90 . 1 1 45 45 ARG N N 15 121.8399 . . 1 . . . A 46 ARG N . 19447 1
91 . 1 1 46 46 GLY H H 1 8.6619 . . 1 . . . A 47 GLY H . 19447 1
92 . 1 1 46 46 GLY N N 15 109.6915 . . 1 . . . A 47 GLY N . 19447 1
93 . 1 1 47 47 MET H H 1 8.8615 . . 1 . . . A 48 MET H . 19447 1
94 . 1 1 47 47 MET N N 15 117.1998 . . 1 . . . A 48 MET N . 19447 1
95 . 1 1 48 48 PHE H H 1 8.8294 . . 1 . . . A 49 PHE H . 19447 1
96 . 1 1 48 48 PHE N N 15 116.7175 . . 1 . . . A 49 PHE N . 19447 1
97 . 1 1 50 50 ASP H H 1 8.1756 . . 1 . . . A 51 ASP H . 19447 1
98 . 1 1 50 50 ASP N N 15 120.4852 . . 1 . . . A 51 ASP N . 19447 1
99 . 1 1 51 51 ASN H H 1 8.7211 . . 1 . . . A 52 ASN H . 19447 1
100 . 1 1 51 51 ASN N N 15 110.0397 . . 1 . . . A 52 ASN N . 19447 1
101 . 1 1 52 52 PHE H H 1 7.5357 . . 1 . . . A 53 PHE H . 19447 1
102 . 1 1 52 52 PHE N N 15 117.9612 . . 1 . . . A 53 PHE N . 19447 1
103 . 1 1 53 53 VAL H H 1 7.4643 . . 1 . . . A 54 VAL H . 19447 1
104 . 1 1 53 53 VAL N N 15 109.9805 . . 1 . . . A 54 VAL N . 19447 1
105 . 1 1 54 54 LYS H H 1 9.1562 . . 1 . . . A 55 LYS H . 19447 1
106 . 1 1 54 54 LYS N N 15 120.3570 . . 1 . . . A 55 LYS N . 19447 1
107 . 1 1 55 55 GLU H H 1 8.6768 . . 1 . . . A 56 GLU H . 19447 1
108 . 1 1 55 55 GLU N N 15 128.6891 . . 1 . . . A 56 GLU N . 19447 1
109 . 1 1 56 56 ILE H H 1 8.4395 . . 1 . . . A 57 ILE H . 19447 1
110 . 1 1 56 56 ILE N N 15 127.1399 . . 1 . . . A 57 ILE N . 19447 1
111 . 1 1 57 57 LYS H H 1 8.3463 . . 1 . . . A 58 LYS H . 19447 1
112 . 1 1 57 57 LYS N N 15 128.7337 . . 1 . . . A 58 LYS N . 19447 1
113 . 1 1 58 58 ARG H H 1 8.5355 . . 1 . . . . 59 ARG HN . 19447 1
114 . 1 1 58 58 ARG N N 15 123.6777 . . 1 . . . . 59 ARG N . 19447 1
115 . 1 1 59 59 GLU H H 1 8.6789 . . 1 . . . . 60 GLU HN . 19447 1
116 . 1 1 59 59 GLU N N 15 122.6065 . . 1 . . . . 60 GLU N . 19447 1
117 . 1 1 60 60 THR H H 1 8.0855 . . 1 . . . . 61 THR HN . 19447 1
118 . 1 1 60 60 THR N N 15 114.0068 . . 1 . . . . 61 THR N . 19447 1
119 . 1 1 61 61 GLU H H 1 8.0214 . . 1 . . . . 62 GLU HN . 19447 1
120 . 1 1 61 61 GLU N N 15 128.0030 . . 1 . . . . 62 GLU N . 19447 1
stop_
save_
###################################
# 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_Ubiquitin-CS
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode Ubiquitin-CS
_Assigned_chem_shift_list.Entry_ID 19447
_Assigned_chem_shift_list.ID 2
_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
_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
6 '2D 1H-15N HSQC' . . . 19447 2
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 . 2 2 2 2 GLN H H 1 8.9406 . . 1 . . . B 2 GLN H . 19447 2
2 . 2 2 2 2 GLN N N 15 122.7356 . . 1 . . . B 2 GLN N . 19447 2
3 . 2 2 3 3 ILE H H 1 8.2877 . . 1 . . . B 3 ILE H . 19447 2
4 . 2 2 3 3 ILE N N 15 114.9128 . . 1 . . . B 3 ILE N . 19447 2
5 . 2 2 4 4 PHE H H 1 8.6037 . . 1 . . . B 4 PHE H . 19447 2
6 . 2 2 4 4 PHE N N 15 119.0784 . . 1 . . . B 4 PHE N . 19447 2
7 . 2 2 5 5 VAL H H 1 9.2264 . . 1 . . . B 5 VAL H . 19447 2
8 . 2 2 5 5 VAL N N 15 120.9824 . . 1 . . . B 5 VAL N . 19447 2
9 . 2 2 6 6 LYS H H 1 8.7626 . . 1 . . . B 6 LYS H . 19447 2
10 . 2 2 6 6 LYS N N 15 127.9308 . . 1 . . . B 6 LYS N . 19447 2
11 . 2 2 7 7 THR H H 1 8.8171 . . 1 . . . B 7 THR H . 19447 2
12 . 2 2 7 7 THR N N 15 116.7931 . . 1 . . . B 7 THR N . 19447 2
13 . 2 2 8 8 LEU H H 1 8.8958 . . 1 . . . B 8 LEU H . 19447 2
14 . 2 2 8 8 LEU N N 15 121.0708 . . 1 . . . B 8 LEU N . 19447 2
15 . 2 2 9 9 THR H H 1 7.7265 . . 1 . . . B 9 THR H . 19447 2
16 . 2 2 9 9 THR N N 15 106.1762 . . 1 . . . B 9 THR N . 19447 2
17 . 2 2 10 10 GLY H H 1 7.8418 . . 1 . . . B 10 GLY H . 19447 2
18 . 2 2 10 10 GLY N N 15 110.0909 . . 1 . . . B 10 GLY N . 19447 2
19 . 2 2 11 11 LYS H H 1 7.2077 . . 1 . . . B 11 LYS H . 19447 2
20 . 2 2 11 11 LYS N N 15 121.6026 . . 1 . . . B 11 LYS N . 19447 2
21 . 2 2 12 12 THR H H 1 8.6550 . . 1 . . . B 12 THR H . 19447 2
22 . 2 2 12 12 THR N N 15 120.6988 . . 1 . . . B 12 THR N . 19447 2
23 . 2 2 13 13 ILE H H 1 9.4433 . . 1 . . . B 13 ILE H . 19447 2
24 . 2 2 13 13 ILE N N 15 126.8434 . . 1 . . . B 13 ILE N . 19447 2
25 . 2 2 14 14 THR H H 1 8.7054 . . 1 . . . B 14 THR H . 19447 2
26 . 2 2 14 14 THR N N 15 121.2559 . . 1 . . . B 14 THR N . 19447 2
27 . 2 2 15 15 LEU H H 1 8.7480 . . 1 . . . B 15 LEU H . 19447 2
28 . 2 2 15 15 LEU N N 15 125.3824 . . 1 . . . B 15 LEU N . 19447 2
29 . 2 2 16 16 GLU H H 1 8.1422 . . 1 . . . B 16 GLU H . 19447 2
30 . 2 2 16 16 GLU N N 15 122.6980 . . 1 . . . B 16 GLU N . 19447 2
31 . 2 2 17 17 VAL H H 1 8.9398 . . 1 . . . B 17 VAL H . 19447 2
32 . 2 2 17 17 VAL N N 15 117.8273 . . 1 . . . B 17 VAL N . 19447 2
33 . 2 2 18 18 GLU H H 1 8.6633 . . 1 . . . B 18 GLU H . 19447 2
34 . 2 2 18 18 GLU N N 15 119.4972 . . 1 . . . B 18 GLU N . 19447 2
35 . 2 2 20 20 SER H H 1 7.0325 . . 1 . . . B 20 SER H . 19447 2
36 . 2 2 20 20 SER N N 15 103.5587 . . 1 . . . B 20 SER N . 19447 2
37 . 2 2 21 21 ASP H H 1 8.0019 . . 1 . . . B 21 ASP H . 19447 2
38 . 2 2 21 21 ASP N N 15 123.6872 . . 1 . . . B 21 ASP N . 19447 2
39 . 2 2 22 22 THR H H 1 7.9010 . . 1 . . . B 22 THR H . 19447 2
40 . 2 2 22 22 THR N N 15 109.1640 . . 1 . . . B 22 THR N . 19447 2
41 . 2 2 23 23 ILE H H 1 8.5541 . . 1 . . . B 23 ILE H . 19447 2
42 . 2 2 23 23 ILE N N 15 121.5496 . . 1 . . . B 23 ILE N . 19447 2
43 . 2 2 24 24 GLU H H 1 9.7612 . . 1 . . . B 24 GLU H . 19447 2
44 . 2 2 24 24 GLU N N 15 121.3562 . . 1 . . . B 24 GLU N . 19447 2
45 . 2 2 25 25 ASN H H 1 7.9271 . . 1 . . . B 25 ASN H . 19447 2
46 . 2 2 25 25 ASN N N 15 121.4736 . . 1 . . . B 25 ASN N . 19447 2
47 . 2 2 26 26 VAL H H 1 8.1056 . . 1 . . . B 26 VAL H . 19447 2
48 . 2 2 26 26 VAL N N 15 122.2827 . . 1 . . . B 26 VAL N . 19447 2
49 . 2 2 27 27 LYS H H 1 8.5966 . . 1 . . . B 27 LYS H . 19447 2
50 . 2 2 27 27 LYS N N 15 119.0579 . . 1 . . . B 27 LYS N . 19447 2
51 . 2 2 28 28 ALA H H 1 8.0587 . . 1 . . . B 28 ALA H . 19447 2
52 . 2 2 28 28 ALA N N 15 124.0684 . . 1 . . . B 28 ALA N . 19447 2
53 . 2 2 29 29 LYS H H 1 7.8509 . . 1 . . . B 29 LYS H . 19447 2
54 . 2 2 29 29 LYS N N 15 120.3390 . . 1 . . . B 29 LYS N . 19447 2
55 . 2 2 30 30 ILE H H 1 8.2675 . . 1 . . . B 30 ILE H . 19447 2
56 . 2 2 30 30 ILE N N 15 121.3845 . . 1 . . . B 30 ILE N . 19447 2
57 . 2 2 31 31 GLN H H 1 8.5770 . . 1 . . . B 31 GLN H . 19447 2
58 . 2 2 31 31 GLN N N 15 123.7750 . . 1 . . . B 31 GLN N . 19447 2
59 . 2 2 32 32 ASP H H 1 8.0106 . . 1 . . . B 32 ASP H . 19447 2
60 . 2 2 32 32 ASP N N 15 119.8750 . . 1 . . . B 32 ASP N . 19447 2
61 . 2 2 33 33 LYS H H 1 7.4134 . . 1 . . . B 33 LYS H . 19447 2
62 . 2 2 33 33 LYS N N 15 115.6012 . . 1 . . . B 33 LYS N . 19447 2
63 . 2 2 34 34 GLU H H 1 8.7332 . . 1 . . . B 34 GLU H . 19447 2
64 . 2 2 34 34 GLU N N 15 114.3947 . . 1 . . . B 34 GLU N . 19447 2
65 . 2 2 35 35 GLY H H 1 8.5128 . . 1 . . . B 35 GLY H . 19447 2
66 . 2 2 35 35 GLY N N 15 108.9926 . . 1 . . . B 35 GLY N . 19447 2
67 . 2 2 36 36 ILE H H 1 6.1512 . . 1 . . . B 36 ILE H . 19447 2
68 . 2 2 36 36 ILE N N 15 120.4212 . . 1 . . . B 36 ILE N . 19447 2
69 . 2 2 39 39 ASP H H 1 8.5464 . . 1 . . . B 39 ASP H . 19447 2
70 . 2 2 39 39 ASP N N 15 113.6537 . . 1 . . . B 39 ASP N . 19447 2
71 . 2 2 40 40 GLN H H 1 7.8016 . . 1 . . . B 40 GLN H . 19447 2
72 . 2 2 40 40 GLN N N 15 116.9316 . . 1 . . . B 40 GLN N . 19447 2
73 . 2 2 41 41 GLN H H 1 7.4604 . . 1 . . . B 41 GLN H . 19447 2
74 . 2 2 41 41 GLN N N 15 118.0586 . . 1 . . . B 41 GLN N . 19447 2
75 . 2 2 42 42 ARG H H 1 8.4036 . . 1 . . . B 42 ARG H . 19447 2
76 . 2 2 42 42 ARG N N 15 122.7206 . . 1 . . . B 42 ARG N . 19447 2
77 . 2 2 43 43 LEU H H 1 8.8891 . . 1 . . . B 43 LEU H . 19447 2
78 . 2 2 43 43 LEU N N 15 124.5336 . . 1 . . . B 43 LEU N . 19447 2
79 . 2 2 44 44 ILE H H 1 9.2342 . . 1 . . . B 44 ILE H . 19447 2
80 . 2 2 44 44 ILE N N 15 122.9075 . . 1 . . . B 44 ILE N . 19447 2
81 . 2 2 45 45 PHE H H 1 8.9617 . . 1 . . . B 45 PHE H . 19447 2
82 . 2 2 45 45 PHE N N 15 126.4654 . . 1 . . . B 45 PHE N . 19447 2
83 . 2 2 46 46 ALA H H 1 8.9254 . . 1 . . . B 46 ALA H . 19447 2
84 . 2 2 46 46 ALA N N 15 133.3630 . . 1 . . . B 46 ALA N . 19447 2
85 . 2 2 47 47 GLY H H 1 8.3916 . . 1 . . . B 47 GLY H . 19447 2
86 . 2 2 47 47 GLY N N 15 103.1330 . . 1 . . . B 47 GLY N . 19447 2
87 . 2 2 48 48 LYS H H 1 7.8460 . . 1 . . . B 48 LYS H . 19447 2
88 . 2 2 48 48 LYS N N 15 121.3570 . . 1 . . . B 48 LYS N . 19447 2
89 . 2 2 49 49 GLN H H 1 8.6081 . . 1 . . . B 49 GLN H . 19447 2
90 . 2 2 49 49 GLN N N 15 121.9214 . . 1 . . . B 49 GLN N . 19447 2
91 . 2 2 50 50 LEU H H 1 8.6235 . . 1 . . . B 50 LEU H . 19447 2
92 . 2 2 50 50 LEU N N 15 125.9136 . . 1 . . . B 50 LEU N . 19447 2
93 . 2 2 51 51 GLU H H 1 8.4386 . . 1 . . . B 51 GLU H . 19447 2
94 . 2 2 51 51 GLU N N 15 123.3652 . . 1 . . . B 51 GLU N . 19447 2
95 . 2 2 52 52 ASP H H 1 8.1692 . . 1 . . . B 52 ASP H . 19447 2
96 . 2 2 52 52 ASP N N 15 120.7119 . . 1 . . . B 52 ASP N . 19447 2
97 . 2 2 53 53 GLY H H 1 8.2322 . . 1 . . . B 53 GLY H . 19447 2
98 . 2 2 53 53 GLY N N 15 108.5236 . . 1 . . . B 53 GLY N . 19447 2
99 . 2 2 54 54 ARG H H 1 7.4811 . . 1 . . . B 54 ARG H . 19447 2
100 . 2 2 54 54 ARG N N 15 119.5451 . . 1 . . . B 54 ARG N . 19447 2
101 . 2 2 55 55 THR H H 1 8.8399 . . 1 . . . B 55 THR H . 19447 2
102 . 2 2 55 55 THR N N 15 108.9745 . . 1 . . . B 55 THR N . 19447 2
103 . 2 2 56 56 LEU H H 1 8.1351 . . 1 . . . B 56 LEU H . 19447 2
104 . 2 2 56 56 LEU N N 15 118.2391 . . 1 . . . B 56 LEU N . 19447 2
105 . 2 2 57 57 SER H H 1 8.4942 . . 1 . . . B 57 SER H . 19447 2
106 . 2 2 57 57 SER N N 15 113.6076 . . 1 . . . B 57 SER N . 19447 2
107 . 2 2 58 58 ASP H H 1 7.9472 . . 1 . . . B 58 ASP H . 19447 2
108 . 2 2 58 58 ASP N N 15 124.7085 . . 1 . . . B 58 ASP N . 19447 2
109 . 2 2 59 59 TYR H H 1 7.2603 . . 1 . . . B 59 TYR H . 19447 2
110 . 2 2 59 59 TYR N N 15 115.9306 . . 1 . . . B 59 TYR N . 19447 2
111 . 2 2 60 60 ASN H H 1 8.1617 . . 1 . . . B 60 ASN H . 19447 2
112 . 2 2 60 60 ASN N N 15 116.0464 . . 1 . . . B 60 ASN N . 19447 2
113 . 2 2 61 61 ILE H H 1 7.2489 . . 1 . . . B 61 ILE H . 19447 2
114 . 2 2 61 61 ILE N N 15 119.0773 . . 1 . . . B 61 ILE N . 19447 2
115 . 2 2 62 62 GLN H H 1 7.6501 . . 1 . . . B 62 GLN H . 19447 2
116 . 2 2 62 62 GLN N N 15 125.0868 . . 1 . . . B 62 GLN N . 19447 2
117 . 2 2 63 63 LYS H H 1 8.4949 . . 1 . . . B 63 LYS H . 19447 2
118 . 2 2 63 63 LYS N N 15 120.6913 . . 1 . . . B 63 LYS N . 19447 2
119 . 2 2 64 64 GLU H H 1 9.3047 . . 1 . . . B 64 GLU H . 19447 2
120 . 2 2 64 64 GLU N N 15 114.7634 . . 1 . . . B 64 GLU N . 19447 2
121 . 2 2 65 65 SER H H 1 7.6469 . . 1 . . . B 65 SER H . 19447 2
122 . 2 2 65 65 SER N N 15 114.9971 . . 1 . . . B 65 SER N . 19447 2
123 . 2 2 66 66 THR H H 1 8.7434 . . 1 . . . B 66 THR H . 19447 2
124 . 2 2 66 66 THR N N 15 117.8919 . . 1 . . . B 66 THR N . 19447 2
125 . 2 2 67 67 LEU H H 1 9.2992 . . 1 . . . B 67 LEU H . 19447 2
126 . 2 2 67 67 LEU N N 15 127.2772 . . 1 . . . B 67 LEU N . 19447 2
127 . 2 2 68 68 HIS H H 1 8.9807 . . 1 . . . B 68 HIS H . 19447 2
128 . 2 2 68 68 HIS N N 15 118.4695 . . 1 . . . B 68 HIS N . 19447 2
129 . 2 2 69 69 LEU H H 1 8.1310 . . 1 . . . B 69 LEU H . 19447 2
130 . 2 2 69 69 LEU N N 15 123.5272 . . 1 . . . B 69 LEU N . 19447 2
131 . 2 2 70 70 VAL H H 1 9.1458 . . 1 . . . B 70 VAL H . 19447 2
132 . 2 2 70 70 VAL N N 15 125.2070 . . 1 . . . B 70 VAL N . 19447 2
133 . 2 2 71 71 LEU H H 1 7.9182 . . 1 . . . B 71 LEU H . 19447 2
134 . 2 2 71 71 LEU N N 15 123.3845 . . 1 . . . B 71 LEU N . 19447 2
135 . 2 2 72 72 ARG H H 1 8.7248 . . 1 . . . B 72 ARG H . 19447 2
136 . 2 2 72 72 ARG N N 15 123.7981 . . 1 . . . B 72 ARG N . 19447 2
137 . 2 2 73 73 LEU H H 1 8.7052 . . 1 . . . B 73 LEU H . 19447 2
138 . 2 2 73 73 LEU N N 15 125.2946 . . 1 . . . B 73 LEU N . 19447 2
139 . 2 2 74 74 ARG H H 1 8.5483 . . 1 . . . B 74 ARG H . 19447 2
140 . 2 2 74 74 ARG N N 15 122.5154 . . 1 . . . B 74 ARG N . 19447 2
141 . 2 2 75 75 GLY H H 1 8.5294 . . 1 . . . B 75 GLY H . 19447 2
142 . 2 2 75 75 GLY N N 15 110.4934 . . 1 . . . B 75 GLY N . 19447 2
143 . 2 2 76 76 GLY H H 1 8.1557 . . 1 . . . B 76 GLY H . 19447 2
144 . 2 2 76 76 GLY N N 15 115.1597 . . 1 . . . B 76 GLY N . 19447 2
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