###################################
# 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_chem_shift_list
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list
_Assigned_chem_shift_list.Entry_ID 19779
_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 $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4cpg/ebi/bmrb_construct.csh'
_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' 1 $sample_1 solution 19779 1
2 '3D HNCACB' 1 $sample_1 solution 19779 1
3 '3D CBCA(CO)NH' 1 $sample_1 solution 19779 1
4 '3D HNCO' 1 $sample_1 solution 19779 1
5 '3D HN(CA)CO' 1 $sample_1 solution 19779 1
6 '3D HBHA(CO)NH' 1 $sample_1 solution 19779 1
7 '3D H(CCCO)NH' 1 $sample_1 solution 19779 1
8 '3D (H)CCCONH' 1 $sample_1 solution 19779 1
9 '3D 1H-15N NOESY' 1 $sample_1 solution 19779 1
10 '3D HCCH-TOCSY' 2 $sample_2 solution 19779 1
11 '3D (H)CCH-TOCSY' 2 $sample_2 solution 19779 1
12 '3D 1H-13C NOESY' 2 $sample_2 solution 19779 1
13 '3D F1 1H(13C' 3 $sample_3 solution 19779 1
14 '15N)-reject 13C NOESY' 3 $sample_3 solution 19779 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 $ARIA 1 $method_ARIA 19779 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 . 2 1 15 15 MET H H 1 7.973 . . 1 . 5 . . 15 MET H . 19779 1
2 . 2 1 15 15 MET HA H 1 4.435 . . 1 . 6 . . 15 MET HA . 19779 1
3 . 2 1 15 15 MET HB2 H 1 2.011 . . 1 . 7 . . 15 MET HB2 . 19779 1
4 . 2 1 15 15 MET HB3 H 1 2.011 . . 1 . 8 . . 15 MET HB3 . 19779 1
5 . 2 1 15 15 MET HG2 H 1 2.570 . . 2 . 9 . . 15 MET HG2 . 19779 1
6 . 2 1 15 15 MET HG3 H 1 2.475 . . 2 . 10 . . 15 MET HG3 . 19779 1
7 . 2 1 15 15 MET C C 13 175.826 . . 1 . 1 . . 15 MET C . 19779 1
8 . 2 1 15 15 MET CA C 13 55.375 . . 1 . 2 . . 15 MET CA . 19779 1
9 . 2 1 15 15 MET CB C 13 32.392 . . 1 . 3 . . 15 MET CB . 19779 1
10 . 2 1 15 15 MET CG C 13 32.376 . . 1 . 4 . . 15 MET CG . 19779 1
11 . 2 1 15 15 MET N N 15 118.186 . . 1 . 11 . . 15 MET N . 19779 1
12 . 2 1 16 16 ASP H H 1 7.976 . . 1 . 15 . . 16 ASP H . 19779 1
13 . 2 1 16 16 ASP HA H 1 4.587 . . 1 . 16 . . 16 ASP HA . 19779 1
14 . 2 1 16 16 ASP HB2 H 1 2.714 . . 2 . 17 . . 16 ASP HB2 . 19779 1
15 . 2 1 16 16 ASP HB3 H 1 2.869 . . 2 . 18 . . 16 ASP HB3 . 19779 1
16 . 2 1 16 16 ASP C C 13 177.130 . . 1 . 12 . . 16 ASP C . 19779 1
17 . 2 1 16 16 ASP CA C 13 54.280 . . 1 . 13 . . 16 ASP CA . 19779 1
18 . 2 1 16 16 ASP CB C 13 41.538 . . 1 . 14 . . 16 ASP CB . 19779 1
19 . 2 1 16 16 ASP N N 15 121.227 . . 1 . 19 . . 16 ASP N . 19779 1
20 . 2 1 17 17 ASN H H 1 8.778 . . 1 . 23 . . 17 ASN H . 19779 1
21 . 2 1 17 17 ASN HA H 1 4.633 . . 1 . 24 . . 17 ASN HA . 19779 1
22 . 2 1 17 17 ASN HB2 H 1 2.847 . . 2 . 25 . . 17 ASN HB2 . 19779 1
23 . 2 1 17 17 ASN HB3 H 1 2.935 . . 2 . 26 . . 17 ASN HB3 . 19779 1
24 . 2 1 17 17 ASN HD21 H 1 7.832 . . 1 . 27 . . 17 ASN HD21 . 19779 1
25 . 2 1 17 17 ASN HD22 H 1 6.828 . . 1 . 28 . . 17 ASN HD22 . 19779 1
26 . 2 1 17 17 ASN C C 13 177.702 . . 1 . 20 . . 17 ASN C . 19779 1
27 . 2 1 17 17 ASN CA C 13 56.000 . . 1 . 21 . . 17 ASN CA . 19779 1
28 . 2 1 17 17 ASN CB C 13 38.099 . . 1 . 22 . . 17 ASN CB . 19779 1
29 . 2 1 17 17 ASN N N 15 121.490 . . 1 . 29 . . 17 ASN N . 19779 1
30 . 2 1 17 17 ASN ND2 N 15 111.380 . . 1 . 30 . . 17 ASN ND2 . 19779 1
31 . 2 1 18 18 LYS H H 1 8.445 . . 1 . 37 . . 18 LYS H . 19779 1
32 . 2 1 18 18 LYS HA H 1 3.929 . . 1 . 38 . . 18 LYS HA . 19779 1
33 . 2 1 18 18 LYS HB2 H 1 1.980 . . 2 . 39 . . 18 LYS HB2 . 19779 1
34 . 2 1 18 18 LYS HB3 H 1 2.050 . . 2 . 40 . . 18 LYS HB3 . 19779 1
35 . 2 1 18 18 LYS HG2 H 1 1.490 . . 2 . 45 . . 18 LYS HG2 . 19779 1
36 . 2 1 18 18 LYS HG3 H 1 1.597 . . 2 . 46 . . 18 LYS HG3 . 19779 1
37 . 2 1 18 18 LYS HD2 H 1 1.867 . . 2 . 41 . . 18 LYS HD2 . 19779 1
38 . 2 1 18 18 LYS HD3 H 1 1.868 . . 2 . 42 . . 18 LYS HD3 . 19779 1
39 . 2 1 18 18 LYS HE2 H 1 3.112 . . 1 . 43 . . 18 LYS HE2 . 19779 1
40 . 2 1 18 18 LYS HE3 H 1 3.112 . . 1 . 44 . . 18 LYS HE3 . 19779 1
41 . 2 1 18 18 LYS C C 13 178.274 . . 1 . 31 . . 18 LYS C . 19779 1
42 . 2 1 18 18 LYS CA C 13 60.292 . . 1 . 32 . . 18 LYS CA . 19779 1
43 . 2 1 18 18 LYS CB C 13 31.454 . . 1 . 33 . . 18 LYS CB . 19779 1
44 . 2 1 18 18 LYS CG C 13 25.447 . . 1 . 36 . . 18 LYS CG . 19779 1
45 . 2 1 18 18 LYS CD C 13 29.166 . . 1 . 34 . . 18 LYS CD . 19779 1
46 . 2 1 18 18 LYS CE C 13 41.715 . . 1 . 35 . . 18 LYS CE . 19779 1
47 . 2 1 18 18 LYS N N 15 122.962 . . 1 . 47 . . 18 LYS N . 19779 1
48 . 2 1 19 19 LYS H H 1 7.758 . . 1 . 54 . . 19 LYS H . 19779 1
49 . 2 1 19 19 LYS HA H 1 3.833 . . 1 . 55 . . 19 LYS HA . 19779 1
50 . 2 1 19 19 LYS HB2 H 1 1.746 . . 2 . 56 . . 19 LYS HB2 . 19779 1
51 . 2 1 19 19 LYS HB3 H 1 2.006 . . 2 . 57 . . 19 LYS HB3 . 19779 1
52 . 2 1 19 19 LYS HG2 H 1 1.424 . . 1 . 62 . . 19 LYS HG2 . 19779 1
53 . 2 1 19 19 LYS HG3 H 1 1.424 . . 1 . 63 . . 19 LYS HG3 . 19779 1
54 . 2 1 19 19 LYS HD2 H 1 1.706 . . 1 . 58 . . 19 LYS HD2 . 19779 1
55 . 2 1 19 19 LYS HD3 H 1 1.706 . . 1 . 59 . . 19 LYS HD3 . 19779 1
56 . 2 1 19 19 LYS HE2 H 1 3.100 . . 1 . 60 . . 19 LYS HE2 . 19779 1
57 . 2 1 19 19 LYS HE3 H 1 3.100 . . 1 . 61 . . 19 LYS HE3 . 19779 1
58 . 2 1 19 19 LYS C C 13 178.810 . . 1 . 48 . . 19 LYS C . 19779 1
59 . 2 1 19 19 LYS CA C 13 60.192 . . 1 . 49 . . 19 LYS CA . 19779 1
60 . 2 1 19 19 LYS CB C 13 32.627 . . 1 . 50 . . 19 LYS CB . 19779 1
61 . 2 1 19 19 LYS CG C 13 26.853 . . 1 . 53 . . 19 LYS CG . 19779 1
62 . 2 1 19 19 LYS CD C 13 29.166 . . 1 . 51 . . 19 LYS CD . 19779 1
63 . 2 1 19 19 LYS CE C 13 42.116 . . 1 . 52 . . 19 LYS CE . 19779 1
64 . 2 1 19 19 LYS N N 15 118.748 . . 1 . 64 . . 19 LYS N . 19779 1
65 . 2 1 20 20 ARG H H 1 8.136 . . 1 . 70 . . 20 ARG H . 19779 1
66 . 2 1 20 20 ARG HA H 1 4.074 . . 1 . 71 . . 20 ARG HA . 19779 1
67 . 2 1 20 20 ARG HB2 H 1 2.146 . . 1 . 72 . . 20 ARG HB2 . 19779 1
68 . 2 1 20 20 ARG HB3 H 1 2.146 . . 1 . 73 . . 20 ARG HB3 . 19779 1
69 . 2 1 20 20 ARG HG2 H 1 1.738 . . 2 . 76 . . 20 ARG HG2 . 19779 1
70 . 2 1 20 20 ARG HG3 H 1 1.758 . . 2 . 77 . . 20 ARG HG3 . 19779 1
71 . 2 1 20 20 ARG HD2 H 1 3.298 . . 2 . 74 . . 20 ARG HD2 . 19779 1
72 . 2 1 20 20 ARG HD3 H 1 3.294 . . 2 . 75 . . 20 ARG HD3 . 19779 1
73 . 2 1 20 20 ARG C C 13 178.828 . . 1 . 65 . . 20 ARG C . 19779 1
74 . 2 1 20 20 ARG CA C 13 60.894 . . 1 . 66 . . 20 ARG CA . 19779 1
75 . 2 1 20 20 ARG CB C 13 30.438 . . 1 . 67 . . 20 ARG CB . 19779 1
76 . 2 1 20 20 ARG CG C 13 28.680 . . 1 . 69 . . 20 ARG CG . 19779 1
77 . 2 1 20 20 ARG CD C 13 44.526 . . 1 . 68 . . 20 ARG CD . 19779 1
78 . 2 1 20 20 ARG N N 15 116.501 . . 1 . 78 . . 20 ARG N . 19779 1
79 . 2 1 21 21 LEU H H 1 7.940 . . 1 . 85 . . 21 LEU H . 19779 1
80 . 2 1 21 21 LEU HA H 1 2.981 . . 1 . 86 . . 21 LEU HA . 19779 1
81 . 2 1 21 21 LEU HB2 H 1 1.321 . . 2 . 87 . . 21 LEU HB2 . 19779 1
82 . 2 1 21 21 LEU HB3 H 1 0.424 . . 2 . 88 . . 21 LEU HB3 . 19779 1
83 . 2 1 21 21 LEU HG H 1 0.576 . . 1 . 91 . . 21 LEU HG . 19779 1
84 . 2 1 21 21 LEU HD11 H 1 0.082 . . 1 . 89 . . 21 LEU HD11 . 19779 1
85 . 2 1 21 21 LEU HD12 H 1 0.082 . . 1 . 89 . . 21 LEU HD12 . 19779 1
86 . 2 1 21 21 LEU HD13 H 1 0.082 . . 1 . 89 . . 21 LEU HD13 . 19779 1
87 . 2 1 21 21 LEU HD21 H 1 -0.313 . . 1 . 90 . . 21 LEU HD21 . 19779 1
88 . 2 1 21 21 LEU HD22 H 1 -0.313 . . 1 . 90 . . 21 LEU HD22 . 19779 1
89 . 2 1 21 21 LEU HD23 H 1 -0.313 . . 1 . 90 . . 21 LEU HD23 . 19779 1
90 . 2 1 21 21 LEU C C 13 177.363 . . 1 . 79 . . 21 LEU C . 19779 1
91 . 2 1 21 21 LEU CA C 13 57.296 . . 1 . 80 . . 21 LEU CA . 19779 1
92 . 2 1 21 21 LEU CB C 13 39.733 . . 1 . 81 . . 21 LEU CB . 19779 1
93 . 2 1 21 21 LEU CG C 13 26.441 . . 1 . 84 . . 21 LEU CG . 19779 1
94 . 2 1 21 21 LEU CD1 C 13 21.671 . . 2 . 82 . . 21 LEU CD1 . 19779 1
95 . 2 1 21 21 LEU CD2 C 13 24.984 . . 2 . 83 . . 21 LEU CD2 . 19779 1
96 . 2 1 21 21 LEU N N 15 123.996 . . 1 . 92 . . 21 LEU N . 19779 1
97 . 2 1 22 22 ALA H H 1 7.962 . . 1 . 96 . . 22 ALA H . 19779 1
98 . 2 1 22 22 ALA HA H 1 3.437 . . 1 . 97 . . 22 ALA HA . 19779 1
99 . 2 1 22 22 ALA HB1 H 1 0.859 . . 1 . 98 . . 22 ALA HB1 . 19779 1
100 . 2 1 22 22 ALA HB2 H 1 0.859 . . 1 . 98 . . 22 ALA HB2 . 19779 1
101 . 2 1 22 22 ALA HB3 H 1 0.859 . . 1 . 98 . . 22 ALA HB3 . 19779 1
102 . 2 1 22 22 ALA C C 13 178.971 . . 1 . 93 . . 22 ALA C . 19779 1
103 . 2 1 22 22 ALA CA C 13 56.000 . . 1 . 94 . . 22 ALA CA . 19779 1
104 . 2 1 22 22 ALA CB C 13 16.999 . . 1 . 95 . . 22 ALA CB . 19779 1
105 . 2 1 22 22 ALA N N 15 121.227 . . 1 . 99 . . 22 ALA N . 19779 1
106 . 2 1 23 23 TYR H H 1 8.302 . . 1 . 107 . . 23 TYR H . 19779 1
107 . 2 1 23 23 TYR HA H 1 3.699 . . 1 . 108 . . 23 TYR HA . 19779 1
108 . 2 1 23 23 TYR HB2 H 1 2.946 . . 2 . 109 . . 23 TYR HB2 . 19779 1
109 . 2 1 23 23 TYR HB3 H 1 3.046 . . 2 . 110 . . 23 TYR HB3 . 19779 1
110 . 2 1 23 23 TYR HD1 H 1 6.940 . . 1 . 111 . . 23 TYR HD1 . 19779 1
111 . 2 1 23 23 TYR HD2 H 1 6.940 . . 1 . 112 . . 23 TYR HD2 . 19779 1
112 . 2 1 23 23 TYR HE1 H 1 6.681 . . 1 . 113 . . 23 TYR HE1 . 19779 1
113 . 2 1 23 23 TYR HE2 H 1 6.681 . . 1 . 114 . . 23 TYR HE2 . 19779 1
114 . 2 1 23 23 TYR C C 13 175.844 . . 1 . 100 . . 23 TYR C . 19779 1
115 . 2 1 23 23 TYR CA C 13 62.702 . . 1 . 101 . . 23 TYR CA . 19779 1
116 . 2 1 23 23 TYR CB C 13 38.830 . . 1 . 102 . . 23 TYR CB . 19779 1
117 . 2 1 23 23 TYR CD1 C 13 133.335 . . 1 . 103 . . 23 TYR CD1 . 19779 1
118 . 2 1 23 23 TYR CD2 C 13 133.335 . . 1 . 104 . . 23 TYR CD2 . 19779 1
119 . 2 1 23 23 TYR CE1 C 13 118.025 . . 1 . 105 . . 23 TYR CE1 . 19779 1
120 . 2 1 23 23 TYR CE2 C 13 118.025 . . 1 . 106 . . 23 TYR CE2 . 19779 1
121 . 2 1 23 23 TYR N N 15 117.019 . . 1 . 115 . . 23 TYR N . 19779 1
122 . 2 1 24 24 ALA H H 1 7.979 . . 1 . 119 . . 24 ALA H . 19779 1
123 . 2 1 24 24 ALA HA H 1 4.114 . . 1 . 120 . . 24 ALA HA . 19779 1
124 . 2 1 24 24 ALA HB1 H 1 1.659 . . 1 . 121 . . 24 ALA HB1 . 19779 1
125 . 2 1 24 24 ALA HB2 H 1 1.659 . . 1 . 121 . . 24 ALA HB2 . 19779 1
126 . 2 1 24 24 ALA HB3 H 1 1.659 . . 1 . 121 . . 24 ALA HB3 . 19779 1
127 . 2 1 24 24 ALA C C 13 181.509 . . 1 . 116 . . 24 ALA C . 19779 1
128 . 2 1 24 24 ALA CA C 13 55.062 . . 1 . 117 . . 24 ALA CA . 19779 1
129 . 2 1 24 24 ALA CB C 13 18.790 . . 1 . 118 . . 24 ALA CB . 19779 1
130 . 2 1 24 24 ALA N N 15 121.551 . . 1 . 122 . . 24 ALA N . 19779 1
131 . 2 1 25 25 ILE H H 1 8.464 . . 1 . 129 . . 25 ILE H . 19779 1
132 . 2 1 25 25 ILE HA H 1 3.537 . . 1 . 130 . . 25 ILE HA . 19779 1
133 . 2 1 25 25 ILE HB H 1 1.976 . . 1 . 131 . . 25 ILE HB . 19779 1
134 . 2 1 25 25 ILE HG12 H 1 0.472 . . 1 . 133 . . 25 ILE HG12 . 19779 1
135 . 2 1 25 25 ILE HG13 H 1 0.472 . . 1 . 134 . . 25 ILE HG13 . 19779 1
136 . 2 1 25 25 ILE HG21 H 1 0.814 . . 1 . 135 . . 25 ILE HG21 . 19779 1
137 . 2 1 25 25 ILE HG22 H 1 0.814 . . 1 . 135 . . 25 ILE HG22 . 19779 1
138 . 2 1 25 25 ILE HG23 H 1 0.814 . . 1 . 135 . . 25 ILE HG23 . 19779 1
139 . 2 1 25 25 ILE HD11 H 1 0.613 . . 1 . 132 . . 25 ILE HD11 . 19779 1
140 . 2 1 25 25 ILE HD12 H 1 0.613 . . 1 . 132 . . 25 ILE HD12 . 19779 1
141 . 2 1 25 25 ILE HD13 H 1 0.613 . . 1 . 132 . . 25 ILE HD13 . 19779 1
142 . 2 1 25 25 ILE C C 13 177.059 . . 1 . 123 . . 25 ILE C . 19779 1
143 . 2 1 25 25 ILE CA C 13 66.241 . . 1 . 124 . . 25 ILE CA . 19779 1
144 . 2 1 25 25 ILE CB C 13 38.200 . . 1 . 125 . . 25 ILE CB . 19779 1
145 . 2 1 25 25 ILE CG1 C 13 29.520 . . 1 . 127 . . 25 ILE CG1 . 19779 1
146 . 2 1 25 25 ILE CG2 C 13 17.816 . . 1 . 128 . . 25 ILE CG2 . 19779 1
147 . 2 1 25 25 ILE CD1 C 13 14.903 . . 1 . 126 . . 25 ILE CD1 . 19779 1
148 . 2 1 25 25 ILE N N 15 119.375 . . 1 . 136 . . 25 ILE N . 19779 1
149 . 2 1 26 26 ILE H H 1 8.382 . . 1 . 143 . . 26 ILE H . 19779 1
150 . 2 1 26 26 ILE HA H 1 3.456 . . 1 . 144 . . 26 ILE HA . 19779 1
151 . 2 1 26 26 ILE HB H 1 1.808 . . 1 . 145 . . 26 ILE HB . 19779 1
152 . 2 1 26 26 ILE HG12 H 1 1.656 . . 2 . 147 . . 26 ILE HG12 . 19779 1
153 . 2 1 26 26 ILE HG13 H 1 1.048 . . 2 . 148 . . 26 ILE HG13 . 19779 1
154 . 2 1 26 26 ILE HG21 H 1 0.870 . . 1 . 149 . . 26 ILE HG21 . 19779 1
155 . 2 1 26 26 ILE HG22 H 1 0.870 . . 1 . 149 . . 26 ILE HG22 . 19779 1
156 . 2 1 26 26 ILE HG23 H 1 0.870 . . 1 . 149 . . 26 ILE HG23 . 19779 1
157 . 2 1 26 26 ILE HD11 H 1 0.703 . . 1 . 146 . . 26 ILE HD11 . 19779 1
158 . 2 1 26 26 ILE HD12 H 1 0.703 . . 1 . 146 . . 26 ILE HD12 . 19779 1
159 . 2 1 26 26 ILE HD13 H 1 0.703 . . 1 . 146 . . 26 ILE HD13 . 19779 1
160 . 2 1 26 26 ILE C C 13 177.595 . . 1 . 137 . . 26 ILE C . 19779 1
161 . 2 1 26 26 ILE CA C 13 67.123 . . 1 . 138 . . 26 ILE CA . 19779 1
162 . 2 1 26 26 ILE CB C 13 38.100 . . 1 . 139 . . 26 ILE CB . 19779 1
163 . 2 1 26 26 ILE CG1 C 13 30.769 . . 1 . 141 . . 26 ILE CG1 . 19779 1
164 . 2 1 26 26 ILE CG2 C 13 18.418 . . 1 . 142 . . 26 ILE CG2 . 19779 1
165 . 2 1 26 26 ILE CD1 C 13 14.602 . . 1 . 140 . . 26 ILE CD1 . 19779 1
166 . 2 1 26 26 ILE N N 15 120.990 . . 1 . 150 . . 26 ILE N . 19779 1
167 . 2 1 27 27 GLN H H 1 8.718 . . 1 . 155 . . 27 GLN H . 19779 1
168 . 2 1 27 27 GLN HA H 1 3.925 . . 1 . 156 . . 27 GLN HA . 19779 1
169 . 2 1 27 27 GLN HB2 H 1 1.712 . . 2 . 157 . . 27 GLN HB2 . 19779 1
170 . 2 1 27 27 GLN HB3 H 1 2.089 . . 2 . 158 . . 27 GLN HB3 . 19779 1
171 . 2 1 27 27 GLN HG2 H 1 2.261 . . 2 . 161 . . 27 GLN HG2 . 19779 1
172 . 2 1 27 27 GLN HG3 H 1 1.937 . . 2 . 162 . . 27 GLN HG3 . 19779 1
173 . 2 1 27 27 GLN HE21 H 1 6.938 . . 1 . 159 . . 27 GLN HE21 . 19779 1
174 . 2 1 27 27 GLN HE22 H 1 6.801 . . 1 . 160 . . 27 GLN HE22 . 19779 1
175 . 2 1 27 27 GLN C C 13 178.417 . . 1 . 151 . . 27 GLN C . 19779 1
176 . 2 1 27 27 GLN CA C 13 59.518 . . 1 . 152 . . 27 GLN CA . 19779 1
177 . 2 1 27 27 GLN CB C 13 28.405 . . 1 . 153 . . 27 GLN CB . 19779 1
178 . 2 1 27 27 GLN CG C 13 33.681 . . 1 . 154 . . 27 GLN CG . 19779 1
179 . 2 1 27 27 GLN N N 15 119.674 . . 1 . 163 . . 27 GLN N . 19779 1
180 . 2 1 27 27 GLN NE2 N 15 112.000 . . 1 . 164 . . 27 GLN NE2 . 19779 1
181 . 2 1 28 28 PHE H H 1 7.656 . . 1 . 173 . . 28 PHE H . 19779 1
182 . 2 1 28 28 PHE HA H 1 4.749 . . 1 . 174 . . 28 PHE HA . 19779 1
183 . 2 1 28 28 PHE HB2 H 1 3.330 . . 2 . 175 . . 28 PHE HB2 . 19779 1
184 . 2 1 28 28 PHE HB3 H 1 3.380 . . 2 . 176 . . 28 PHE HB3 . 19779 1
185 . 2 1 28 28 PHE HD1 H 1 7.180 . . 1 . 177 . . 28 PHE HD1 . 19779 1
186 . 2 1 28 28 PHE HD2 H 1 7.180 . . 1 . 178 . . 28 PHE HD2 . 19779 1
187 . 2 1 28 28 PHE HE1 H 1 6.955 . . 1 . 179 . . 28 PHE HE1 . 19779 1
188 . 2 1 28 28 PHE HE2 H 1 6.955 . . 1 . 180 . . 28 PHE HE2 . 19779 1
189 . 2 1 28 28 PHE HZ H 1 6.840 . . 1 . 181 . . 28 PHE HZ . 19779 1
190 . 2 1 28 28 PHE C C 13 176.916 . . 1 . 165 . . 28 PHE C . 19779 1
191 . 2 1 28 28 PHE CA C 13 59.991 . . 1 . 166 . . 28 PHE CA . 19779 1
192 . 2 1 28 28 PHE CB C 13 39.305 . . 1 . 167 . . 28 PHE CB . 19779 1
193 . 2 1 28 28 PHE CD1 C 13 132.242 . . 1 . 168 . . 28 PHE CD1 . 19779 1
194 . 2 1 28 28 PHE CD2 C 13 132.242 . . 1 . 169 . . 28 PHE CD2 . 19779 1
195 . 2 1 28 28 PHE CE1 C 13 131.148 . . 1 . 170 . . 28 PHE CE1 . 19779 1
196 . 2 1 28 28 PHE CE2 C 13 131.148 . . 1 . 171 . . 28 PHE CE2 . 19779 1
197 . 2 1 28 28 PHE CZ C 13 129.508 . . 1 . 172 . . 28 PHE CZ . 19779 1
198 . 2 1 28 28 PHE N N 15 120.724 . . 1 . 182 . . 28 PHE N . 19779 1
199 . 2 1 29 29 LEU H H 1 8.531 . . 1 . 189 . . 29 LEU H . 19779 1
200 . 2 1 29 29 LEU HA H 1 3.517 . . 1 . 190 . . 29 LEU HA . 19779 1
201 . 2 1 29 29 LEU HB2 H 1 1.155 . . 2 . 191 . . 29 LEU HB2 . 19779 1
202 . 2 1 29 29 LEU HB3 H 1 1.937 . . 2 . 192 . . 29 LEU HB3 . 19779 1
203 . 2 1 29 29 LEU HG H 1 0.803 . . 1 . 195 . . 29 LEU HG . 19779 1
204 . 2 1 29 29 LEU HD11 H 1 0.860 . . 1 . 193 . . 29 LEU HD11 . 19779 1
205 . 2 1 29 29 LEU HD12 H 1 0.860 . . 1 . 193 . . 29 LEU HD12 . 19779 1
206 . 2 1 29 29 LEU HD13 H 1 0.860 . . 1 . 193 . . 29 LEU HD13 . 19779 1
207 . 2 1 29 29 LEU HD21 H 1 0.581 . . 1 . 194 . . 29 LEU HD21 . 19779 1
208 . 2 1 29 29 LEU HD22 H 1 0.581 . . 1 . 194 . . 29 LEU HD22 . 19779 1
209 . 2 1 29 29 LEU HD23 H 1 0.581 . . 1 . 194 . . 29 LEU HD23 . 19779 1
210 . 2 1 29 29 LEU C C 13 178.703 . . 1 . 183 . . 29 LEU C . 19779 1
211 . 2 1 29 29 LEU CA C 13 58.033 . . 1 . 184 . . 29 LEU CA . 19779 1
212 . 2 1 29 29 LEU CB C 13 40.911 . . 1 . 185 . . 29 LEU CB . 19779 1
213 . 2 1 29 29 LEU CG C 13 27.219 . . 1 . 188 . . 29 LEU CG . 19779 1
214 . 2 1 29 29 LEU CD1 C 13 22.255 . . 2 . 186 . . 29 LEU CD1 . 19779 1
215 . 2 1 29 29 LEU CD2 C 13 27.219 . . 2 . 187 . . 29 LEU CD2 . 19779 1
216 . 2 1 29 29 LEU N N 15 118.987 . . 1 . 196 . . 29 LEU N . 19779 1
217 . 2 1 30 30 HIS H H 1 8.741 . . 1 . 202 . . 30 HIS H . 19779 1
218 . 2 1 30 30 HIS HA H 1 3.953 . . 1 . 203 . . 30 HIS HA . 19779 1
219 . 2 1 30 30 HIS HB2 H 1 3.127 . . 2 . 204 . . 30 HIS HB2 . 19779 1
220 . 2 1 30 30 HIS HB3 H 1 3.125 . . 2 . 205 . . 30 HIS HB3 . 19779 1
221 . 2 1 30 30 HIS HD2 H 1 7.162 . . 1 . 206 . . 30 HIS HD2 . 19779 1
222 . 2 1 30 30 HIS HE1 H 1 8.366 . . 1 . 207 . . 30 HIS HE1 . 19779 1
223 . 2 1 30 30 HIS C C 13 177.613 . . 1 . 197 . . 30 HIS C . 19779 1
224 . 2 1 30 30 HIS CA C 13 60.493 . . 1 . 198 . . 30 HIS CA . 19779 1
225 . 2 1 30 30 HIS CB C 13 29.866 . . 1 . 199 . . 30 HIS CB . 19779 1
226 . 2 1 30 30 HIS CD2 C 13 119.666 . . 1 . 200 . . 30 HIS CD2 . 19779 1
227 . 2 1 30 30 HIS CE1 C 13 137.163 . . 1 . 201 . . 30 HIS CE1 . 19779 1
228 . 2 1 30 30 HIS N N 15 118.717 . . 1 . 208 . . 30 HIS N . 19779 1
229 . 2 1 31 31 ASP H H 1 8.314 . . 1 . 212 . . 31 ASP H . 19779 1
230 . 2 1 31 31 ASP HA H 1 4.361 . . 1 . 213 . . 31 ASP HA . 19779 1
231 . 2 1 31 31 ASP HB2 H 1 2.808 . . 2 . 214 . . 31 ASP HB2 . 19779 1
232 . 2 1 31 31 ASP HB3 H 1 2.928 . . 2 . 215 . . 31 ASP HB3 . 19779 1
233 . 2 1 31 31 ASP C C 13 179.007 . . 1 . 209 . . 31 ASP C . 19779 1
234 . 2 1 31 31 ASP CA C 13 57.798 . . 1 . 210 . . 31 ASP CA . 19779 1
235 . 2 1 31 31 ASP CB C 13 41.414 . . 1 . 211 . . 31 ASP CB . 19779 1
236 . 2 1 31 31 ASP N N 15 120.434 . . 1 . 216 . . 31 ASP N . 19779 1
237 . 2 1 32 32 GLN H H 1 8.054 . . 1 . 221 . . 32 GLN H . 19779 1
238 . 2 1 32 32 GLN HA H 1 3.666 . . 1 . 222 . . 32 GLN HA . 19779 1
239 . 2 1 32 32 GLN HB2 H 1 1.885 . . 2 . 223 . . 32 GLN HB2 . 19779 1
240 . 2 1 32 32 GLN HB3 H 1 1.884 . . 2 . 224 . . 32 GLN HB3 . 19779 1
241 . 2 1 32 32 GLN HG2 H 1 1.885 . . 2 . 227 . . 32 GLN HG2 . 19779 1
242 . 2 1 32 32 GLN HG3 H 1 1.454 . . 2 . 228 . . 32 GLN HG3 . 19779 1
243 . 2 1 32 32 GLN HE21 H 1 7.063 . . 1 . 225 . . 32 GLN HE21 . 19779 1
244 . 2 1 32 32 GLN HE22 H 1 6.987 . . 1 . 226 . . 32 GLN HE22 . 19779 1
245 . 2 1 32 32 GLN C C 13 178.417 . . 1 . 217 . . 32 GLN C . 19779 1
246 . 2 1 32 32 GLN CA C 13 57.485 . . 1 . 218 . . 32 GLN CA . 19779 1
247 . 2 1 32 32 GLN CB C 13 28.500 . . 1 . 219 . . 32 GLN CB . 19779 1
248 . 2 1 32 32 GLN CG C 13 34.786 . . 1 . 220 . . 32 GLN CG . 19779 1
249 . 2 1 32 32 GLN N N 15 118.070 . . 1 . 229 . . 32 GLN N . 19779 1
250 . 2 1 32 32 GLN NE2 N 15 114.810 . . 1 . 230 . . 32 GLN NE2 . 19779 1
251 . 2 1 33 33 LEU H H 1 7.928 . . 1 . 237 . . 33 LEU H . 19779 1
252 . 2 1 33 33 LEU HA H 1 3.772 . . 1 . 238 . . 33 LEU HA . 19779 1
253 . 2 1 33 33 LEU HB2 H 1 1.678 . . 2 . 239 . . 33 LEU HB2 . 19779 1
254 . 2 1 33 33 LEU HB3 H 1 1.677 . . 2 . 240 . . 33 LEU HB3 . 19779 1
255 . 2 1 33 33 LEU HG H 1 1.488 . . 1 . 243 . . 33 LEU HG . 19779 1
256 . 2 1 33 33 LEU HD11 H 1 0.816 . . 1 . 241 . . 33 LEU HD11 . 19779 1
257 . 2 1 33 33 LEU HD12 H 1 0.816 . . 1 . 241 . . 33 LEU HD12 . 19779 1
258 . 2 1 33 33 LEU HD13 H 1 0.816 . . 1 . 241 . . 33 LEU HD13 . 19779 1
259 . 2 1 33 33 LEU HD21 H 1 0.815 . . 1 . 242 . . 33 LEU HD21 . 19779 1
260 . 2 1 33 33 LEU HD22 H 1 0.815 . . 1 . 242 . . 33 LEU HD22 . 19779 1
261 . 2 1 33 33 LEU HD23 H 1 0.815 . . 1 . 242 . . 33 LEU HD23 . 19779 1
262 . 2 1 33 33 LEU C C 13 177.863 . . 1 . 231 . . 33 LEU C . 19779 1
263 . 2 1 33 33 LEU CA C 13 58.183 . . 1 . 232 . . 33 LEU CA . 19779 1
264 . 2 1 33 33 LEU CB C 13 42.164 . . 1 . 233 . . 33 LEU CB . 19779 1
265 . 2 1 33 33 LEU CG C 13 26.954 . . 1 . 236 . . 33 LEU CG . 19779 1
266 . 2 1 33 33 LEU CD1 C 13 25.347 . . 1 . 234 . . 33 LEU CD1 . 19779 1
267 . 2 1 33 33 LEU CD2 C 13 25.347 . . 1 . 235 . . 33 LEU CD2 . 19779 1
268 . 2 1 33 33 LEU N N 15 120.749 . . 1 . 244 . . 33 LEU N . 19779 1
269 . 2 1 34 34 ARG H H 1 7.426 . . 1 . 250 . . 34 ARG H . 19779 1
270 . 2 1 34 34 ARG HA H 1 4.035 . . 1 . 251 . . 34 ARG HA . 19779 1
271 . 2 1 34 34 ARG HB2 H 1 1.307 . . 2 . 252 . . 34 ARG HB2 . 19779 1
272 . 2 1 34 34 ARG HB3 H 1 1.370 . . 2 . 253 . . 34 ARG HB3 . 19779 1
273 . 2 1 34 34 ARG HG2 H 1 1.315 . . 1 . 256 . . 34 ARG HG2 . 19779 1
274 . 2 1 34 34 ARG HG3 H 1 1.315 . . 1 . 257 . . 34 ARG HG3 . 19779 1
275 . 2 1 34 34 ARG HD2 H 1 2.998 . . 1 . 254 . . 34 ARG HD2 . 19779 1
276 . 2 1 34 34 ARG HD3 H 1 2.998 . . 1 . 255 . . 34 ARG HD3 . 19779 1
277 . 2 1 34 34 ARG C C 13 178.292 . . 1 . 245 . . 34 ARG C . 19779 1
278 . 2 1 34 34 ARG CA C 13 57.279 . . 1 . 246 . . 34 ARG CA . 19779 1
279 . 2 1 34 34 ARG CB C 13 30.672 . . 1 . 247 . . 34 ARG CB . 19779 1
280 . 2 1 34 34 ARG CG C 13 27.054 . . 1 . 249 . . 34 ARG CG . 19779 1
281 . 2 1 34 34 ARG CD C 13 42.920 . . 1 . 248 . . 34 ARG CD . 19779 1
282 . 2 1 34 34 ARG N N 15 114.680 . . 1 . 258 . . 34 ARG N . 19779 1
283 . 2 1 35 35 HIS H H 1 8.170 . . 1 . 264 . . 35 HIS H . 19779 1
284 . 2 1 35 35 HIS HA H 1 4.910 . . 1 . 265 . . 35 HIS HA . 19779 1
285 . 2 1 35 35 HIS HB2 H 1 3.048 . . 2 . 266 . . 35 HIS HB2 . 19779 1
286 . 2 1 35 35 HIS HB3 H 1 3.342 . . 2 . 267 . . 35 HIS HB3 . 19779 1
287 . 2 1 35 35 HIS HD2 H 1 7.270 . . 1 . 268 . . 35 HIS HD2 . 19779 1
288 . 2 1 35 35 HIS HE1 H 1 8.392 . . 1 . 269 . . 35 HIS HE1 . 19779 1
289 . 2 1 35 35 HIS C C 13 176.022 . . 1 . 259 . . 35 HIS C . 19779 1
290 . 2 1 35 35 HIS CA C 13 55.773 . . 1 . 260 . . 35 HIS CA . 19779 1
291 . 2 1 35 35 HIS CB C 13 30.368 . . 1 . 261 . . 35 HIS CB . 19779 1
292 . 2 1 35 35 HIS CD2 C 13 120.759 . . 1 . 262 . . 35 HIS CD2 . 19779 1
293 . 2 1 35 35 HIS CE1 C 13 136.616 . . 1 . 263 . . 35 HIS CE1 . 19779 1
294 . 2 1 35 35 HIS N N 15 114.239 . . 1 . 270 . . 35 HIS N . 19779 1
295 . 2 1 36 36 GLY H H 1 8.004 . . 1 . 273 . . 36 GLY H . 19779 1
296 . 2 1 36 36 GLY HA2 H 1 3.817 . . 2 . 274 . . 36 GLY HA2 . 19779 1
297 . 2 1 36 36 GLY HA3 H 1 4.015 . . 2 . 275 . . 36 GLY HA3 . 19779 1
298 . 2 1 36 36 GLY C C 13 174.289 . . 1 . 271 . . 36 GLY C . 19779 1
299 . 2 1 36 36 GLY CA C 13 45.916 . . 1 . 272 . . 36 GLY CA . 19779 1
300 . 2 1 36 36 GLY N N 15 107.930 . . 1 . 276 . . 36 GLY N . 19779 1
301 . 2 1 37 37 GLY H H 1 8.462 . . 1 . 279 . . 37 GLY H . 19779 1
302 . 2 1 37 37 GLY HA2 H 1 3.757 . . 2 . 280 . . 37 GLY HA2 . 19779 1
303 . 2 1 37 37 GLY HA3 H 1 3.832 . . 2 . 281 . . 37 GLY HA3 . 19779 1
304 . 2 1 37 37 GLY C C 13 175.021 . . 1 . 277 . . 37 GLY C . 19779 1
305 . 2 1 37 37 GLY CA C 13 46.355 . . 1 . 278 . . 37 GLY CA . 19779 1
306 . 2 1 37 37 GLY N N 15 109.713 . . 1 . 282 . . 37 GLY N . 19779 1
307 . 2 1 38 38 LEU H H 1 8.098 . . 1 . 289 . . 38 LEU H . 19779 1
308 . 2 1 38 38 LEU HA H 1 4.346 . . 1 . 290 . . 38 LEU HA . 19779 1
309 . 2 1 38 38 LEU HB2 H 1 1.480 . . 2 . 291 . . 38 LEU HB2 . 19779 1
310 . 2 1 38 38 LEU HB3 H 1 1.678 . . 2 . 292 . . 38 LEU HB3 . 19779 1
311 . 2 1 38 38 LEU HG H 1 1.417 . . 1 . 295 . . 38 LEU HG . 19779 1
312 . 2 1 38 38 LEU HD11 H 1 0.663 . . 1 . 293 . . 38 LEU HD11 . 19779 1
313 . 2 1 38 38 LEU HD12 H 1 0.663 . . 1 . 293 . . 38 LEU HD12 . 19779 1
314 . 2 1 38 38 LEU HD13 H 1 0.663 . . 1 . 293 . . 38 LEU HD13 . 19779 1
315 . 2 1 38 38 LEU HD21 H 1 0.563 . . 1 . 294 . . 38 LEU HD21 . 19779 1
316 . 2 1 38 38 LEU HD22 H 1 0.563 . . 1 . 294 . . 38 LEU HD22 . 19779 1
317 . 2 1 38 38 LEU HD23 H 1 0.563 . . 1 . 294 . . 38 LEU HD23 . 19779 1
318 . 2 1 38 38 LEU C C 13 177.684 . . 1 . 283 . . 38 LEU C . 19779 1
319 . 2 1 38 38 LEU CA C 13 54.066 . . 1 . 284 . . 38 LEU CA . 19779 1
320 . 2 1 38 38 LEU CB C 13 43.024 . . 1 . 285 . . 38 LEU CB . 19779 1
321 . 2 1 38 38 LEU CG C 13 27.122 . . 1 . 288 . . 38 LEU CG . 19779 1
322 . 2 1 38 38 LEU CD1 C 13 22.736 . . 2 . 286 . . 38 LEU CD1 . 19779 1
323 . 2 1 38 38 LEU CD2 C 13 26.343 . . 2 . 287 . . 38 LEU CD2 . 19779 1
324 . 2 1 38 38 LEU N N 15 119.422 . . 1 . 296 . . 38 LEU N . 19779 1
325 . 2 1 39 39 SER H H 1 8.550 . . 1 . 300 . . 39 SER H . 19779 1
326 . 2 1 39 39 SER HA H 1 4.386 . . 1 . 301 . . 39 SER HA . 19779 1
327 . 2 1 39 39 SER HB2 H 1 4.032 . . 2 . 302 . . 39 SER HB2 . 19779 1
328 . 2 1 39 39 SER HB3 H 1 4.320 . . 2 . 303 . . 39 SER HB3 . 19779 1
329 . 2 1 39 39 SER C C 13 175.093 . . 1 . 297 . . 39 SER C . 19779 1
330 . 2 1 39 39 SER CA C 13 57.876 . . 1 . 298 . . 39 SER CA . 19779 1
331 . 2 1 39 39 SER CB C 13 64.409 . . 1 . 299 . . 39 SER CB . 19779 1
332 . 2 1 39 39 SER N N 15 117.108 . . 1 . 304 . . 39 SER N . 19779 1
333 . 2 1 40 40 SER H H 1 8.907 . . 1 . 308 . . 40 SER H . 19779 1
334 . 2 1 40 40 SER HA H 1 3.890 . . 1 . 309 . . 40 SER HA . 19779 1
335 . 2 1 40 40 SER HB2 H 1 4.050 . . 2 . 310 . . 40 SER HB2 . 19779 1
336 . 2 1 40 40 SER HB3 H 1 4.054 . . 2 . 311 . . 40 SER HB3 . 19779 1
337 . 2 1 40 40 SER C C 13 176.773 . . 1 . 305 . . 40 SER C . 19779 1
338 . 2 1 40 40 SER CA C 13 62.300 . . 1 . 306 . . 40 SER CA . 19779 1
339 . 2 1 40 40 SER CB C 13 62.356 . . 1 . 307 . . 40 SER CB . 19779 1
340 . 2 1 40 40 SER N N 15 117.332 . . 1 . 312 . . 40 SER N . 19779 1
341 . 2 1 41 41 ASP H H 1 8.333 . . 1 . 316 . . 41 ASP H . 19779 1
342 . 2 1 41 41 ASP HA H 1 4.368 . . 1 . 317 . . 41 ASP HA . 19779 1
343 . 2 1 41 41 ASP HB2 H 1 2.590 . . 2 . 318 . . 41 ASP HB2 . 19779 1
344 . 2 1 41 41 ASP HB3 H 1 2.470 . . 2 . 319 . . 41 ASP HB3 . 19779 1
345 . 2 1 41 41 ASP C C 13 178.471 . . 1 . 313 . . 41 ASP C . 19779 1
346 . 2 1 41 41 ASP CA C 13 56.978 . . 1 . 314 . . 41 ASP CA . 19779 1
347 . 2 1 41 41 ASP CB C 13 40.131 . . 1 . 315 . . 41 ASP CB . 19779 1
348 . 2 1 41 41 ASP N N 15 120.010 . . 1 . 320 . . 41 ASP N . 19779 1
349 . 2 1 42 42 ALA H H 1 7.666 . . 1 . 324 . . 42 ALA H . 19779 1
350 . 2 1 42 42 ALA HA H 1 3.842 . . 1 . 325 . . 42 ALA HA . 19779 1
351 . 2 1 42 42 ALA HB1 H 1 1.451 . . 1 . 326 . . 42 ALA HB1 . 19779 1
352 . 2 1 42 42 ALA HB2 H 1 1.451 . . 1 . 326 . . 42 ALA HB2 . 19779 1
353 . 2 1 42 42 ALA HB3 H 1 1.451 . . 1 . 326 . . 42 ALA HB3 . 19779 1
354 . 2 1 42 42 ALA C C 13 179.221 . . 1 . 321 . . 42 ALA C . 19779 1
355 . 2 1 42 42 ALA CA C 13 55.184 . . 1 . 322 . . 42 ALA CA . 19779 1
356 . 2 1 42 42 ALA CB C 13 19.221 . . 1 . 323 . . 42 ALA CB . 19779 1
357 . 2 1 42 42 ALA N N 15 124.527 . . 1 . 327 . . 42 ALA N . 19779 1
358 . 2 1 43 43 GLN H H 1 8.399 . . 1 . 332 . . 43 GLN H . 19779 1
359 . 2 1 43 43 GLN HA H 1 3.606 . . 1 . 333 . . 43 GLN HA . 19779 1
360 . 2 1 43 43 GLN HB2 H 1 2.023 . . 2 . 334 . . 43 GLN HB2 . 19779 1
361 . 2 1 43 43 GLN HB3 H 1 2.126 . . 2 . 335 . . 43 GLN HB3 . 19779 1
362 . 2 1 43 43 GLN HG2 H 1 2.407 . . 1 . 338 . . 43 GLN HG2 . 19779 1
363 . 2 1 43 43 GLN HG3 H 1 2.407 . . 1 . 339 . . 43 GLN HG3 . 19779 1
364 . 2 1 43 43 GLN HE21 H 1 7.172 . . 1 . 336 . . 43 GLN HE21 . 19779 1
365 . 2 1 43 43 GLN HE22 H 1 6.680 . . 1 . 337 . . 43 GLN HE22 . 19779 1
366 . 2 1 43 43 GLN C C 13 177.756 . . 1 . 328 . . 43 GLN C . 19779 1
367 . 2 1 43 43 GLN CA C 13 59.909 . . 1 . 329 . . 43 GLN CA . 19779 1
368 . 2 1 43 43 GLN CB C 13 28.405 . . 1 . 330 . . 43 GLN CB . 19779 1
369 . 2 1 43 43 GLN CG C 13 34.485 . . 1 . 331 . . 43 GLN CG . 19779 1
370 . 2 1 43 43 GLN N N 15 117.454 . . 1 . 340 . . 43 GLN N . 19779 1
371 . 2 1 43 43 GLN NE2 N 15 111.380 . . 1 . 341 . . 43 GLN NE2 . 19779 1
372 . 2 1 44 44 GLU H H 1 7.852 . . 1 . 346 . . 44 GLU H . 19779 1
373 . 2 1 44 44 GLU HA H 1 4.024 . . 1 . 347 . . 44 GLU HA . 19779 1
374 . 2 1 44 44 GLU HB2 H 1 2.111 . . 1 . 348 . . 44 GLU HB2 . 19779 1
375 . 2 1 44 44 GLU HB3 H 1 2.111 . . 1 . 349 . . 44 GLU HB3 . 19779 1
376 . 2 1 44 44 GLU HG2 H 1 2.424 . . 2 . 350 . . 44 GLU HG2 . 19779 1
377 . 2 1 44 44 GLU HG3 H 1 2.238 . . 2 . 351 . . 44 GLU HG3 . 19779 1
378 . 2 1 44 44 GLU C C 13 179.150 . . 1 . 342 . . 44 GLU C . 19779 1
379 . 2 1 44 44 GLU CA C 13 59.689 . . 1 . 343 . . 44 GLU CA . 19779 1
380 . 2 1 44 44 GLU CB C 13 28.680 . . 1 . 344 . . 44 GLU CB . 19779 1
381 . 2 1 44 44 GLU CG C 13 36.192 . . 1 . 345 . . 44 GLU CG . 19779 1
382 . 2 1 44 44 GLU N N 15 118.355 . . 1 . 352 . . 44 GLU N . 19779 1
383 . 2 1 45 45 SER H H 1 7.661 . . 1 . 356 . . 45 SER H . 19779 1
384 . 2 1 45 45 SER HA H 1 3.950 . . 1 . 357 . . 45 SER HA . 19779 1
385 . 2 1 45 45 SER HB2 H 1 3.950 . . 1 . 358 . . 45 SER HB2 . 19779 1
386 . 2 1 45 45 SER HB3 H 1 3.950 . . 1 . 359 . . 45 SER HB3 . 19779 1
387 . 2 1 45 45 SER C C 13 176.362 . . 1 . 353 . . 45 SER C . 19779 1
388 . 2 1 45 45 SER CA C 13 63.329 . . 1 . 354 . . 45 SER CA . 19779 1
389 . 2 1 45 45 SER CB C 13 63.232 . . 1 . 355 . . 45 SER CB . 19779 1
390 . 2 1 45 45 SER N N 15 114.328 . . 1 . 360 . . 45 SER N . 19779 1
391 . 2 1 46 46 LEU H H 1 8.155 . . 1 . 367 . . 46 LEU H . 19779 1
392 . 2 1 46 46 LEU HA H 1 3.903 . . 1 . 368 . . 46 LEU HA . 19779 1
393 . 2 1 46 46 LEU HB2 H 1 1.186 . . 2 . 369 . . 46 LEU HB2 . 19779 1
394 . 2 1 46 46 LEU HB3 H 1 1.864 . . 2 . 370 . . 46 LEU HB3 . 19779 1
395 . 2 1 46 46 LEU HG H 1 1.574 . . 1 . 373 . . 46 LEU HG . 19779 1
396 . 2 1 46 46 LEU HD11 H 1 0.560 . . 1 . 371 . . 46 LEU HD11 . 19779 1
397 . 2 1 46 46 LEU HD12 H 1 0.560 . . 1 . 371 . . 46 LEU HD12 . 19779 1
398 . 2 1 46 46 LEU HD13 H 1 0.560 . . 1 . 371 . . 46 LEU HD13 . 19779 1
399 . 2 1 46 46 LEU HD21 H 1 0.560 . . 1 . 372 . . 46 LEU HD21 . 19779 1
400 . 2 1 46 46 LEU HD22 H 1 0.560 . . 1 . 372 . . 46 LEU HD22 . 19779 1
401 . 2 1 46 46 LEU HD23 H 1 0.560 . . 1 . 372 . . 46 LEU HD23 . 19779 1
402 . 2 1 46 46 LEU C C 13 178.203 . . 1 . 361 . . 46 LEU C . 19779 1
403 . 2 1 46 46 LEU CA C 13 58.111 . . 1 . 362 . . 46 LEU CA . 19779 1
404 . 2 1 46 46 LEU CB C 13 41.616 . . 1 . 363 . . 46 LEU CB . 19779 1
405 . 2 1 46 46 LEU CG C 13 26.927 . . 1 . 366 . . 46 LEU CG . 19779 1
406 . 2 1 46 46 LEU CD1 C 13 24.700 . . 1 . 364 . . 46 LEU CD1 . 19779 1
407 . 2 1 46 46 LEU CD2 C 13 24.700 . . 1 . 365 . . 46 LEU CD2 . 19779 1
408 . 2 1 46 46 LEU N N 15 121.812 . . 1 . 374 . . 46 LEU N . 19779 1
409 . 2 1 47 47 GLU H H 1 8.115 . . 1 . 379 . . 47 GLU H . 19779 1
410 . 2 1 47 47 GLU HA H 1 3.850 . . 1 . 380 . . 47 GLU HA . 19779 1
411 . 2 1 47 47 GLU HB2 H 1 2.006 . . 2 . 381 . . 47 GLU HB2 . 19779 1
412 . 2 1 47 47 GLU HB3 H 1 2.187 . . 2 . 382 . . 47 GLU HB3 . 19779 1
413 . 2 1 47 47 GLU HG2 H 1 2.445 . . 1 . 383 . . 47 GLU HG2 . 19779 1
414 . 2 1 47 47 GLU HG3 H 1 2.445 . . 1 . 384 . . 47 GLU HG3 . 19779 1
415 . 2 1 47 47 GLU C C 13 179.918 . . 1 . 375 . . 47 GLU C . 19779 1
416 . 2 1 47 47 GLU CA C 13 60.534 . . 1 . 376 . . 47 GLU CA . 19779 1
417 . 2 1 47 47 GLU CB C 13 29.265 . . 1 . 377 . . 47 GLU CB . 19779 1
418 . 2 1 47 47 GLU CG C 13 36.794 . . 1 . 378 . . 47 GLU CG . 19779 1
419 . 2 1 47 47 GLU N N 15 119.194 . . 1 . 385 . . 47 GLU N . 19779 1
420 . 2 1 48 48 VAL H H 1 7.669 . . 1 . 391 . . 48 VAL H . 19779 1
421 . 2 1 48 48 VAL HA H 1 3.651 . . 1 . 392 . . 48 VAL HA . 19779 1
422 . 2 1 48 48 VAL HB H 1 2.302 . . 1 . 393 . . 48 VAL HB . 19779 1
423 . 2 1 48 48 VAL HG11 H 1 1.022 . . 1 . 394 . . 48 VAL HG11 . 19779 1
424 . 2 1 48 48 VAL HG12 H 1 1.022 . . 1 . 394 . . 48 VAL HG12 . 19779 1
425 . 2 1 48 48 VAL HG13 H 1 1.022 . . 1 . 394 . . 48 VAL HG13 . 19779 1
426 . 2 1 48 48 VAL HG21 H 1 0.820 . . 1 . 395 . . 48 VAL HG21 . 19779 1
427 . 2 1 48 48 VAL HG22 H 1 0.820 . . 1 . 395 . . 48 VAL HG22 . 19779 1
428 . 2 1 48 48 VAL HG23 H 1 0.820 . . 1 . 395 . . 48 VAL HG23 . 19779 1
429 . 2 1 48 48 VAL C C 13 178.560 . . 1 . 386 . . 48 VAL C . 19779 1
430 . 2 1 48 48 VAL CA C 13 66.618 . . 1 . 387 . . 48 VAL CA . 19779 1
431 . 2 1 48 48 VAL CB C 13 31.974 . . 1 . 388 . . 48 VAL CB . 19779 1
432 . 2 1 48 48 VAL CG1 C 13 22.535 . . 1 . 389 . . 48 VAL CG1 . 19779 1
433 . 2 1 48 48 VAL CG2 C 13 22.535 . . 1 . 390 . . 48 VAL CG2 . 19779 1
434 . 2 1 48 48 VAL N N 15 120.187 . . 1 . 396 . . 48 VAL N . 19779 1
435 . 2 1 49 49 ALA H H 1 8.363 . . 1 . 400 . . 49 ALA H . 19779 1
436 . 2 1 49 49 ALA HA H 1 3.772 . . 1 . 401 . . 49 ALA HA . 19779 1
437 . 2 1 49 49 ALA HB1 H 1 1.440 . . 1 . 402 . . 49 ALA HB1 . 19779 1
438 . 2 1 49 49 ALA HB2 H 1 1.440 . . 1 . 402 . . 49 ALA HB2 . 19779 1
439 . 2 1 49 49 ALA HB3 H 1 1.440 . . 1 . 402 . . 49 ALA HB3 . 19779 1
440 . 2 1 49 49 ALA C C 13 179.328 . . 1 . 397 . . 49 ALA C . 19779 1
441 . 2 1 49 49 ALA CA C 13 56.376 . . 1 . 398 . . 49 ALA CA . 19779 1
442 . 2 1 49 49 ALA CB C 13 18.217 . . 1 . 399 . . 49 ALA CB . 19779 1
443 . 2 1 49 49 ALA N N 15 122.049 . . 1 . 403 . . 49 ALA N . 19779 1
444 . 2 1 50 50 ILE H H 1 8.446 . . 1 . 410 . . 50 ILE H . 19779 1
445 . 2 1 50 50 ILE HA H 1 3.350 . . 1 . 411 . . 50 ILE HA . 19779 1
446 . 2 1 50 50 ILE HB H 1 1.833 . . 1 . 412 . . 50 ILE HB . 19779 1
447 . 2 1 50 50 ILE HG12 H 1 0.686 . . 1 . 414 . . 50 ILE HG12 . 19779 1
448 . 2 1 50 50 ILE HG13 H 1 0.686 . . 1 . 415 . . 50 ILE HG13 . 19779 1
449 . 2 1 50 50 ILE HG21 H 1 0.816 . . 1 . 416 . . 50 ILE HG21 . 19779 1
450 . 2 1 50 50 ILE HG22 H 1 0.816 . . 1 . 416 . . 50 ILE HG22 . 19779 1
451 . 2 1 50 50 ILE HG23 H 1 0.816 . . 1 . 416 . . 50 ILE HG23 . 19779 1
452 . 2 1 50 50 ILE HD11 H 1 0.458 . . 1 . 413 . . 50 ILE HD11 . 19779 1
453 . 2 1 50 50 ILE HD12 H 1 0.458 . . 1 . 413 . . 50 ILE HD12 . 19779 1
454 . 2 1 50 50 ILE HD13 H 1 0.458 . . 1 . 413 . . 50 ILE HD13 . 19779 1
455 . 2 1 50 50 ILE C C 13 177.095 . . 1 . 404 . . 50 ILE C . 19779 1
456 . 2 1 50 50 ILE CA C 13 67.257 . . 1 . 405 . . 50 ILE CA . 19779 1
457 . 2 1 50 50 ILE CB C 13 38.602 . . 1 . 406 . . 50 ILE CB . 19779 1
458 . 2 1 50 50 ILE CG1 C 13 31.874 . . 1 . 408 . . 50 ILE CG1 . 19779 1
459 . 2 1 50 50 ILE CG2 C 13 17.514 . . 1 . 409 . . 50 ILE CG2 . 19779 1
460 . 2 1 50 50 ILE CD1 C 13 13.397 . . 1 . 407 . . 50 ILE CD1 . 19779 1
461 . 2 1 50 50 ILE N N 15 116.538 . . 1 . 417 . . 50 ILE N . 19779 1
462 . 2 1 51 51 GLN H H 1 7.336 . . 1 . 422 . . 51 GLN H . 19779 1
463 . 2 1 51 51 GLN HA H 1 4.180 . . 1 . 423 . . 51 GLN HA . 19779 1
464 . 2 1 51 51 GLN HB2 H 1 2.264 . . 1 . 424 . . 51 GLN HB2 . 19779 1
465 . 2 1 51 51 GLN HB3 H 1 2.264 . . 1 . 425 . . 51 GLN HB3 . 19779 1
466 . 2 1 51 51 GLN HG2 H 1 2.532 . . 2 . 428 . . 51 GLN HG2 . 19779 1
467 . 2 1 51 51 GLN HG3 H 1 2.428 . . 2 . 429 . . 51 GLN HG3 . 19779 1
468 . 2 1 51 51 GLN HE21 H 1 7.318 . . 1 . 426 . . 51 GLN HE21 . 19779 1
469 . 2 1 51 51 GLN HE22 H 1 6.723 . . 1 . 427 . . 51 GLN HE22 . 19779 1
470 . 2 1 51 51 GLN C C 13 179.704 . . 1 . 418 . . 51 GLN C . 19779 1
471 . 2 1 51 51 GLN CA C 13 59.096 . . 1 . 419 . . 51 GLN CA . 19779 1
472 . 2 1 51 51 GLN CB C 13 28.395 . . 1 . 420 . . 51 GLN CB . 19779 1
473 . 2 1 51 51 GLN CG C 13 34.083 . . 1 . 421 . . 51 GLN CG . 19779 1
474 . 2 1 51 51 GLN N N 15 118.646 . . 1 . 430 . . 51 GLN N . 19779 1
475 . 2 1 51 51 GLN NE2 N 15 111.380 . . 1 . 431 . . 51 GLN NE2 . 19779 1
476 . 2 1 52 52 CYS H H 1 8.497 . . 1 . 435 . . 52 CYS H . 19779 1
477 . 2 1 52 52 CYS HA H 1 4.119 . . 1 . 436 . . 52 CYS HA . 19779 1
478 . 2 1 52 52 CYS HB2 H 1 2.920 . . 2 . 437 . . 52 CYS HB2 . 19779 1
479 . 2 1 52 52 CYS HB3 H 1 3.160 . . 2 . 438 . . 52 CYS HB3 . 19779 1
480 . 2 1 52 52 CYS C C 13 177.148 . . 1 . 432 . . 52 CYS C . 19779 1
481 . 2 1 52 52 CYS CA C 13 64.208 . . 1 . 433 . . 52 CYS CA . 19779 1
482 . 2 1 52 52 CYS CB C 13 28.000 . . 1 . 434 . . 52 CYS CB . 19779 1
483 . 2 1 52 52 CYS N N 15 117.700 . . 1 . 439 . . 52 CYS N . 19779 1
484 . 2 1 53 53 LEU H H 1 8.453 . . 1 . 446 . . 53 LEU H . 19779 1
485 . 2 1 53 53 LEU HA H 1 4.006 . . 1 . 447 . . 53 LEU HA . 19779 1
486 . 2 1 53 53 LEU HB2 H 1 1.298 . . 2 . 448 . . 53 LEU HB2 . 19779 1
487 . 2 1 53 53 LEU HB3 H 1 2.042 . . 2 . 449 . . 53 LEU HB3 . 19779 1
488 . 2 1 53 53 LEU HG H 1 0.780 . . 1 . 452 . . 53 LEU HG . 19779 1
489 . 2 1 53 53 LEU HD11 H 1 0.846 . . 1 . 450 . . 53 LEU HD11 . 19779 1
490 . 2 1 53 53 LEU HD12 H 1 0.846 . . 1 . 450 . . 53 LEU HD12 . 19779 1
491 . 2 1 53 53 LEU HD13 H 1 0.846 . . 1 . 450 . . 53 LEU HD13 . 19779 1
492 . 2 1 53 53 LEU HD21 H 1 0.846 . . 1 . 451 . . 53 LEU HD21 . 19779 1
493 . 2 1 53 53 LEU HD22 H 1 0.846 . . 1 . 451 . . 53 LEU HD22 . 19779 1
494 . 2 1 53 53 LEU HD23 H 1 0.846 . . 1 . 451 . . 53 LEU HD23 . 19779 1
495 . 2 1 53 53 LEU C C 13 178.917 . . 1 . 440 . . 53 LEU C . 19779 1
496 . 2 1 53 53 LEU CA C 13 58.424 . . 1 . 441 . . 53 LEU CA . 19779 1
497 . 2 1 53 53 LEU CB C 13 41.929 . . 1 . 442 . . 53 LEU CB . 19779 1
498 . 2 1 53 53 LEU CG C 13 26.830 . . 1 . 445 . . 53 LEU CG . 19779 1
499 . 2 1 53 53 LEU CD1 C 13 24.644 . . 1 . 443 . . 53 LEU CD1 . 19779 1
500 . 2 1 53 53 LEU CD2 C 13 24.644 . . 1 . 444 . . 53 LEU CD2 . 19779 1
501 . 2 1 53 53 LEU N N 15 120.202 . . 1 . 453 . . 53 LEU N . 19779 1
502 . 2 1 54 54 GLU H H 1 8.582 . . 1 . 458 . . 54 GLU H . 19779 1
503 . 2 1 54 54 GLU HA H 1 4.407 . . 1 . 459 . . 54 GLU HA . 19779 1
504 . 2 1 54 54 GLU HB2 H 1 2.037 . . 2 . 460 . . 54 GLU HB2 . 19779 1
505 . 2 1 54 54 GLU HB3 H 1 2.354 . . 2 . 461 . . 54 GLU HB3 . 19779 1
506 . 2 1 54 54 GLU HG2 H 1 2.834 . . 2 . 462 . . 54 GLU HG2 . 19779 1
507 . 2 1 54 54 GLU HG3 H 1 2.486 . . 2 . 463 . . 54 GLU HG3 . 19779 1
508 . 2 1 54 54 GLU C C 13 180.740 . . 1 . 454 . . 54 GLU C . 19779 1
509 . 2 1 54 54 GLU CA C 13 59.831 . . 1 . 455 . . 54 GLU CA . 19779 1
510 . 2 1 54 54 GLU CB C 13 29.464 . . 1 . 456 . . 54 GLU CB . 19779 1
511 . 2 1 54 54 GLU CG C 13 37.096 . . 1 . 457 . . 54 GLU CG . 19779 1
512 . 2 1 54 54 GLU N N 15 120.210 . . 1 . 464 . . 54 GLU N . 19779 1
513 . 2 1 55 55 THR H H 1 7.845 . . 1 . 469 . . 55 THR H . 19779 1
514 . 2 1 55 55 THR HA H 1 3.938 . . 1 . 470 . . 55 THR HA . 19779 1
515 . 2 1 55 55 THR HB H 1 4.233 . . 1 . 471 . . 55 THR HB . 19779 1
516 . 2 1 55 55 THR HG21 H 1 1.143 . . 1 . 472 . . 55 THR HG21 . 19779 1
517 . 2 1 55 55 THR HG22 H 1 1.143 . . 1 . 472 . . 55 THR HG22 . 19779 1
518 . 2 1 55 55 THR HG23 H 1 1.143 . . 1 . 472 . . 55 THR HG23 . 19779 1
519 . 2 1 55 55 THR C C 13 176.594 . . 1 . 465 . . 55 THR C . 19779 1
520 . 2 1 55 55 THR CA C 13 65.815 . . 1 . 466 . . 55 THR CA . 19779 1
521 . 2 1 55 55 THR CB C 13 68.827 . . 1 . 467 . . 55 THR CB . 19779 1
522 . 2 1 55 55 THR CG2 C 13 22.255 . . 1 . 468 . . 55 THR CG2 . 19779 1
523 . 2 1 55 55 THR N N 15 114.490 . . 1 . 473 . . 55 THR N . 19779 1
524 . 2 1 56 56 ALA H H 1 8.355 . . 1 . 477 . . 56 ALA H . 19779 1
525 . 2 1 56 56 ALA HA H 1 3.851 . . 1 . 478 . . 56 ALA HA . 19779 1
526 . 2 1 56 56 ALA HB1 H 1 0.979 . . 1 . 479 . . 56 ALA HB1 . 19779 1
527 . 2 1 56 56 ALA HB2 H 1 0.979 . . 1 . 479 . . 56 ALA HB2 . 19779 1
528 . 2 1 56 56 ALA HB3 H 1 0.979 . . 1 . 479 . . 56 ALA HB3 . 19779 1
529 . 2 1 56 56 ALA C C 13 178.274 . . 1 . 474 . . 56 ALA C . 19779 1
530 . 2 1 56 56 ALA CA C 13 55.218 . . 1 . 475 . . 56 ALA CA . 19779 1
531 . 2 1 56 56 ALA CB C 13 18.947 . . 1 . 476 . . 56 ALA CB . 19779 1
532 . 2 1 56 56 ALA N N 15 122.339 . . 1 . 480 . . 56 ALA N . 19779 1
533 . 2 1 57 57 PHE H H 1 8.035 . . 1 . 489 . . 57 PHE H . 19779 1
534 . 2 1 57 57 PHE HA H 1 4.723 . . 1 . 490 . . 57 PHE HA . 19779 1
535 . 2 1 57 57 PHE HB2 H 1 2.799 . . 2 . 491 . . 57 PHE HB2 . 19779 1
536 . 2 1 57 57 PHE HB3 H 1 3.155 . . 2 . 492 . . 57 PHE HB3 . 19779 1
537 . 2 1 57 57 PHE HD1 H 1 7.413 . . 1 . 493 . . 57 PHE HD1 . 19779 1
538 . 2 1 57 57 PHE HD2 H 1 7.413 . . 1 . 494 . . 57 PHE HD2 . 19779 1
539 . 2 1 57 57 PHE HE1 H 1 7.118 . . 1 . 495 . . 57 PHE HE1 . 19779 1
540 . 2 1 57 57 PHE HE2 H 1 7.118 . . 1 . 496 . . 57 PHE HE2 . 19779 1
541 . 2 1 57 57 PHE HZ H 1 6.726 . . 1 . 497 . . 57 PHE HZ . 19779 1
542 . 2 1 57 57 PHE C C 13 176.344 . . 1 . 481 . . 57 PHE C . 19779 1
543 . 2 1 57 57 PHE CA C 13 58.033 . . 1 . 482 . . 57 PHE CA . 19779 1
544 . 2 1 57 57 PHE CB C 13 40.234 . . 1 . 483 . . 57 PHE CB . 19779 1
545 . 2 1 57 57 PHE CD1 C 13 131.695 . . 1 . 484 . . 57 PHE CD1 . 19779 1
546 . 2 1 57 57 PHE CD2 C 13 131.695 . . 1 . 485 . . 57 PHE CD2 . 19779 1
547 . 2 1 57 57 PHE CE1 C 13 130.055 . . 1 . 486 . . 57 PHE CE1 . 19779 1
548 . 2 1 57 57 PHE CE2 C 13 130.055 . . 1 . 487 . . 57 PHE CE2 . 19779 1
549 . 2 1 57 57 PHE CZ C 13 128.414 . . 1 . 488 . . 57 PHE CZ . 19779 1
550 . 2 1 57 57 PHE N N 15 109.086 . . 1 . 498 . . 57 PHE N . 19779 1
551 . 2 1 58 58 GLY H H 1 7.863 . . 1 . 501 . . 58 GLY H . 19779 1
552 . 2 1 58 58 GLY HA2 H 1 3.923 . . 1 . 502 . . 58 GLY HA2 . 19779 1
553 . 2 1 58 58 GLY HA3 H 1 3.923 . . 1 . 503 . . 58 GLY HA3 . 19779 1
554 . 2 1 58 58 GLY C C 13 174.217 . . 1 . 499 . . 58 GLY C . 19779 1
555 . 2 1 58 58 GLY CA C 13 47.479 . . 1 . 500 . . 58 GLY CA . 19779 1
556 . 2 1 58 58 GLY N N 15 110.173 . . 1 . 504 . . 58 GLY N . 19779 1
557 . 2 1 59 59 VAL H H 1 7.360 . . 1 . 510 . . 59 VAL H . 19779 1
558 . 2 1 59 59 VAL HA H 1 4.720 . . 1 . 511 . . 59 VAL HA . 19779 1
559 . 2 1 59 59 VAL HB H 1 1.990 . . 1 . 512 . . 59 VAL HB . 19779 1
560 . 2 1 59 59 VAL HG11 H 1 1.015 . . 1 . 513 . . 59 VAL HG11 . 19779 1
561 . 2 1 59 59 VAL HG12 H 1 1.015 . . 1 . 513 . . 59 VAL HG12 . 19779 1
562 . 2 1 59 59 VAL HG13 H 1 1.015 . . 1 . 513 . . 59 VAL HG13 . 19779 1
563 . 2 1 59 59 VAL HG21 H 1 0.841 . . 1 . 514 . . 59 VAL HG21 . 19779 1
564 . 2 1 59 59 VAL HG22 H 1 0.841 . . 1 . 514 . . 59 VAL HG22 . 19779 1
565 . 2 1 59 59 VAL HG23 H 1 0.841 . . 1 . 514 . . 59 VAL HG23 . 19779 1
566 . 2 1 59 59 VAL C C 13 173.467 . . 1 . 505 . . 59 VAL C . 19779 1
567 . 2 1 59 59 VAL CA C 13 59.288 . . 1 . 506 . . 59 VAL CA . 19779 1
568 . 2 1 59 59 VAL CB C 13 36.020 . . 1 . 507 . . 59 VAL CB . 19779 1
569 . 2 1 59 59 VAL CG1 C 13 22.435 . . 2 . 508 . . 59 VAL CG1 . 19779 1
570 . 2 1 59 59 VAL CG2 C 13 20.226 . . 2 . 509 . . 59 VAL CG2 . 19779 1
571 . 2 1 59 59 VAL N N 15 113.562 . . 1 . 515 . . 59 VAL N . 19779 1
572 . 2 1 60 60 THR H H 1 8.724 . . 1 . 520 . . 60 THR H . 19779 1
573 . 2 1 60 60 THR HA H 1 4.998 . . 1 . 521 . . 60 THR HA . 19779 1
574 . 2 1 60 60 THR HB H 1 4.420 . . 1 . 522 . . 60 THR HB . 19779 1
575 . 2 1 60 60 THR HG21 H 1 1.068 . . 1 . 523 . . 60 THR HG21 . 19779 1
576 . 2 1 60 60 THR HG22 H 1 1.068 . . 1 . 523 . . 60 THR HG22 . 19779 1
577 . 2 1 60 60 THR HG23 H 1 1.068 . . 1 . 523 . . 60 THR HG23 . 19779 1
578 . 2 1 60 60 THR C C 13 176.022 . . 1 . 516 . . 60 THR C . 19779 1
579 . 2 1 60 60 THR CA C 13 59.589 . . 1 . 517 . . 60 THR CA . 19779 1
580 . 2 1 60 60 THR CB C 13 73.346 . . 1 . 518 . . 60 THR CB . 19779 1
581 . 2 1 60 60 THR CG2 C 13 21.330 . . 1 . 519 . . 60 THR CG2 . 19779 1
582 . 2 1 60 60 THR N N 15 110.753 . . 1 . 524 . . 60 THR N . 19779 1
583 . 2 1 61 61 VAL H H 1 8.351 . . 1 . 530 . . 61 VAL H . 19779 1
584 . 2 1 61 61 VAL HA H 1 3.782 . . 1 . 531 . . 61 VAL HA . 19779 1
585 . 2 1 61 61 VAL HB H 1 1.920 . . 1 . 532 . . 61 VAL HB . 19779 1
586 . 2 1 61 61 VAL HG11 H 1 0.707 . . 1 . 533 . . 61 VAL HG11 . 19779 1
587 . 2 1 61 61 VAL HG12 H 1 0.707 . . 1 . 533 . . 61 VAL HG12 . 19779 1
588 . 2 1 61 61 VAL HG13 H 1 0.707 . . 1 . 533 . . 61 VAL HG13 . 19779 1
589 . 2 1 61 61 VAL HG21 H 1 0.656 . . 1 . 534 . . 61 VAL HG21 . 19779 1
590 . 2 1 61 61 VAL HG22 H 1 0.656 . . 1 . 534 . . 61 VAL HG22 . 19779 1
591 . 2 1 61 61 VAL HG23 H 1 0.656 . . 1 . 534 . . 61 VAL HG23 . 19779 1
592 . 2 1 61 61 VAL C C 13 176.129 . . 1 . 525 . . 61 VAL C . 19779 1
593 . 2 1 61 61 VAL CA C 13 64.409 . . 1 . 526 . . 61 VAL CA . 19779 1
594 . 2 1 61 61 VAL CB C 13 32.276 . . 1 . 527 . . 61 VAL CB . 19779 1
595 . 2 1 61 61 VAL CG1 C 13 20.828 . . 1 . 528 . . 61 VAL CG1 . 19779 1
596 . 2 1 61 61 VAL CG2 C 13 20.828 . . 1 . 529 . . 61 VAL CG2 . 19779 1
597 . 2 1 61 61 VAL N N 15 117.190 . . 1 . 535 . . 61 VAL N . 19779 1
598 . 2 1 62 62 GLU H H 1 7.913 . . 1 . 540 . . 62 GLU H . 19779 1
599 . 2 1 62 62 GLU HA H 1 4.285 . . 1 . 541 . . 62 GLU HA . 19779 1
600 . 2 1 62 62 GLU HB2 H 1 2.147 . . 2 . 542 . . 62 GLU HB2 . 19779 1
601 . 2 1 62 62 GLU HB3 H 1 1.742 . . 2 . 543 . . 62 GLU HB3 . 19779 1
602 . 2 1 62 62 GLU HG2 H 1 2.228 . . 1 . 544 . . 62 GLU HG2 . 19779 1
603 . 2 1 62 62 GLU HG3 H 1 2.228 . . 1 . 545 . . 62 GLU HG3 . 19779 1
604 . 2 1 62 62 GLU C C 13 177.649 . . 1 . 536 . . 62 GLU C . 19779 1
605 . 2 1 62 62 GLU CA C 13 56.978 . . 1 . 537 . . 62 GLU CA . 19779 1
606 . 2 1 62 62 GLU CB C 13 29.364 . . 1 . 538 . . 62 GLU CB . 19779 1
607 . 2 1 62 62 GLU CG C 13 36.794 . . 1 . 539 . . 62 GLU CG . 19779 1
608 . 2 1 62 62 GLU N N 15 118.377 . . 1 . 546 . . 62 GLU N . 19779 1
609 . 2 1 63 63 ASP H H 1 7.779 . . 1 . 550 . . 63 ASP H . 19779 1
610 . 2 1 63 63 ASP HA H 1 4.860 . . 1 . 551 . . 63 ASP HA . 19779 1
611 . 2 1 63 63 ASP HB2 H 1 2.772 . . 2 . 552 . . 63 ASP HB2 . 19779 1
612 . 2 1 63 63 ASP HB3 H 1 2.912 . . 2 . 553 . . 63 ASP HB3 . 19779 1
613 . 2 1 63 63 ASP C C 13 175.522 . . 1 . 547 . . 63 ASP C . 19779 1
614 . 2 1 63 63 ASP CA C 13 54.828 . . 1 . 548 . . 63 ASP CA . 19779 1
615 . 2 1 63 63 ASP CB C 13 39.584 . . 1 . 549 . . 63 ASP CB . 19779 1
616 . 2 1 63 63 ASP N N 15 123.590 . . 1 . 554 . . 63 ASP N . 19779 1
617 . 2 1 64 64 SER H H 1 8.063 . . 1 . 558 . . 64 SER H . 19779 1
618 . 2 1 64 64 SER HA H 1 3.817 . . 1 . 559 . . 64 SER HA . 19779 1
619 . 2 1 64 64 SER HB2 H 1 3.955 . . 1 . 560 . . 64 SER HB2 . 19779 1
620 . 2 1 64 64 SER HB3 H 1 3.955 . . 1 . 561 . . 64 SER HB3 . 19779 1
621 . 2 1 64 64 SER C C 13 175.522 . . 1 . 555 . . 64 SER C . 19779 1
622 . 2 1 64 64 SER CA C 13 60.593 . . 1 . 556 . . 64 SER CA . 19779 1
623 . 2 1 64 64 SER CB C 13 63.270 . . 1 . 557 . . 64 SER CB . 19779 1
624 . 2 1 64 64 SER N N 15 114.600 . . 1 . 562 . . 64 SER N . 19779 1
625 . 2 1 65 65 ASP H H 1 8.747 . . 1 . 566 . . 65 ASP H . 19779 1
626 . 2 1 65 65 ASP HA H 1 4.355 . . 1 . 567 . . 65 ASP HA . 19779 1
627 . 2 1 65 65 ASP HB2 H 1 2.475 . . 2 . 568 . . 65 ASP HB2 . 19779 1
628 . 2 1 65 65 ASP HB3 H 1 2.593 . . 2 . 569 . . 65 ASP HB3 . 19779 1
629 . 2 1 65 65 ASP C C 13 176.737 . . 1 . 563 . . 65 ASP C . 19779 1
630 . 2 1 65 65 ASP CA C 13 55.844 . . 1 . 564 . . 65 ASP CA . 19779 1
631 . 2 1 65 65 ASP CB C 13 39.706 . . 1 . 565 . . 65 ASP CB . 19779 1
632 . 2 1 65 65 ASP N N 15 121.842 . . 1 . 570 . . 65 ASP N . 19779 1
633 . 2 1 66 66 LEU H H 1 7.604 . . 1 . 577 . . 66 LEU H . 19779 1
634 . 2 1 66 66 LEU HA H 1 4.042 . . 1 . 578 . . 66 LEU HA . 19779 1
635 . 2 1 66 66 LEU HB2 H 1 1.255 . . 1 . 579 . . 66 LEU HB2 . 19779 1
636 . 2 1 66 66 LEU HB3 H 1 1.255 . . 1 . 580 . . 66 LEU HB3 . 19779 1
637 . 2 1 66 66 LEU HG H 1 1.523 . . 1 . 583 . . 66 LEU HG . 19779 1
638 . 2 1 66 66 LEU HD11 H 1 0.681 . . 1 . 581 . . 66 LEU HD11 . 19779 1
639 . 2 1 66 66 LEU HD12 H 1 0.681 . . 1 . 581 . . 66 LEU HD12 . 19779 1
640 . 2 1 66 66 LEU HD13 H 1 0.681 . . 1 . 581 . . 66 LEU HD13 . 19779 1
641 . 2 1 66 66 LEU HD21 H 1 0.908 . . 1 . 582 . . 66 LEU HD21 . 19779 1
642 . 2 1 66 66 LEU HD22 H 1 0.908 . . 1 . 582 . . 66 LEU HD22 . 19779 1
643 . 2 1 66 66 LEU HD23 H 1 0.908 . . 1 . 582 . . 66 LEU HD23 . 19779 1
644 . 2 1 66 66 LEU C C 13 177.077 . . 1 . 571 . . 66 LEU C . 19779 1
645 . 2 1 66 66 LEU CA C 13 54.669 . . 1 . 572 . . 66 LEU CA . 19779 1
646 . 2 1 66 66 LEU CB C 13 41.916 . . 1 . 573 . . 66 LEU CB . 19779 1
647 . 2 1 66 66 LEU CG C 13 26.954 . . 1 . 576 . . 66 LEU CG . 19779 1
648 . 2 1 66 66 LEU CD1 C 13 22.836 . . 2 . 574 . . 66 LEU CD1 . 19779 1
649 . 2 1 66 66 LEU CD2 C 13 26.954 . . 2 . 575 . . 66 LEU CD2 . 19779 1
650 . 2 1 66 66 LEU N N 15 117.138 . . 1 . 584 . . 66 LEU N . 19779 1
651 . 2 1 67 67 ALA H H 1 7.052 . . 1 . 588 . . 67 ALA H . 19779 1
652 . 2 1 67 67 ALA HA H 1 4.178 . . 1 . 589 . . 67 ALA HA . 19779 1
653 . 2 1 67 67 ALA HB1 H 1 1.502 . . 1 . 590 . . 67 ALA HB1 . 19779 1
654 . 2 1 67 67 ALA HB2 H 1 1.502 . . 1 . 590 . . 67 ALA HB2 . 19779 1
655 . 2 1 67 67 ALA HB3 H 1 1.502 . . 1 . 590 . . 67 ALA HB3 . 19779 1
656 . 2 1 67 67 ALA C C 13 177.827 . . 1 . 585 . . 67 ALA C . 19779 1
657 . 2 1 67 67 ALA CA C 13 53.264 . . 1 . 586 . . 67 ALA CA . 19779 1
658 . 2 1 67 67 ALA CB C 13 20.041 . . 1 . 587 . . 67 ALA CB . 19779 1
659 . 2 1 67 67 ALA N N 15 121.449 . . 1 . 591 . . 67 ALA N . 19779 1
660 . 2 1 68 68 LEU H H 1 8.531 . . 1 . 598 . . 68 LEU H . 19779 1
661 . 2 1 68 68 LEU HA H 1 4.769 . . 1 . 599 . . 68 LEU HA . 19779 1
662 . 2 1 68 68 LEU HB2 H 1 1.603 . . 2 . 600 . . 68 LEU HB2 . 19779 1
663 . 2 1 68 68 LEU HB3 H 1 1.929 . . 2 . 601 . . 68 LEU HB3 . 19779 1
664 . 2 1 68 68 LEU HG H 1 1.846 . . 1 . 604 . . 68 LEU HG . 19779 1
665 . 2 1 68 68 LEU HD11 H 1 0.486 . . 1 . 602 . . 68 LEU HD11 . 19779 1
666 . 2 1 68 68 LEU HD12 H 1 0.486 . . 1 . 602 . . 68 LEU HD12 . 19779 1
667 . 2 1 68 68 LEU HD13 H 1 0.486 . . 1 . 602 . . 68 LEU HD13 . 19779 1
668 . 2 1 68 68 LEU HD21 H 1 0.768 . . 1 . 603 . . 68 LEU HD21 . 19779 1
669 . 2 1 68 68 LEU HD22 H 1 0.768 . . 1 . 603 . . 68 LEU HD22 . 19779 1
670 . 2 1 68 68 LEU HD23 H 1 0.768 . . 1 . 603 . . 68 LEU HD23 . 19779 1
671 . 2 1 68 68 LEU C C 13 176.183 . . 1 . 592 . . 68 LEU C . 19779 1
672 . 2 1 68 68 LEU CA C 13 52.639 . . 1 . 593 . . 68 LEU CA . 19779 1
673 . 2 1 68 68 LEU CB C 13 42.007 . . 1 . 594 . . 68 LEU CB . 19779 1
674 . 2 1 68 68 LEU CG C 13 27.154 . . 1 . 597 . . 68 LEU CG . 19779 1
675 . 2 1 68 68 LEU CD1 C 13 26.351 . . 2 . 595 . . 68 LEU CD1 . 19779 1
676 . 2 1 68 68 LEU CD2 C 13 22.636 . . 2 . 596 . . 68 LEU CD2 . 19779 1
677 . 2 1 68 68 LEU N N 15 122.450 . . 1 . 605 . . 68 LEU N . 19779 1
678 . 2 1 69 69 PRO HA H 1 4.320 . . 1 . 611 . . 69 PRO HA . 19779 1
679 . 2 1 69 69 PRO HB2 H 1 1.902 . . 2 . 612 . . 69 PRO HB2 . 19779 1
680 . 2 1 69 69 PRO HB3 H 1 2.320 . . 2 . 613 . . 69 PRO HB3 . 19779 1
681 . 2 1 69 69 PRO HG2 H 1 1.990 . . 2 . 616 . . 69 PRO HG2 . 19779 1
682 . 2 1 69 69 PRO HG3 H 1 1.927 . . 2 . 617 . . 69 PRO HG3 . 19779 1
683 . 2 1 69 69 PRO HD2 H 1 3.720 . . 2 . 614 . . 69 PRO HD2 . 19779 1
684 . 2 1 69 69 PRO HD3 H 1 3.650 . . 2 . 615 . . 69 PRO HD3 . 19779 1
685 . 2 1 69 69 PRO C C 13 176.594 . . 1 . 606 . . 69 PRO C . 19779 1
686 . 2 1 69 69 PRO CA C 13 64.365 . . 1 . 607 . . 69 PRO CA . 19779 1
687 . 2 1 69 69 PRO CB C 13 31.845 . . 1 . 608 . . 69 PRO CB . 19779 1
688 . 2 1 69 69 PRO CG C 13 27.656 . . 1 . 610 . . 69 PRO CG . 19779 1
689 . 2 1 69 69 PRO CD C 13 50.451 . . 1 . 609 . . 69 PRO CD . 19779 1
690 . 2 1 70 70 GLN H H 1 6.746 . . 1 . 622 . . 70 GLN H . 19779 1
691 . 2 1 70 70 GLN HA H 1 4.633 . . 1 . 623 . . 70 GLN HA . 19779 1
692 . 2 1 70 70 GLN HB2 H 1 1.752 . . 2 . 624 . . 70 GLN HB2 . 19779 1
693 . 2 1 70 70 GLN HB3 H 1 1.968 . . 2 . 625 . . 70 GLN HB3 . 19779 1
694 . 2 1 70 70 GLN HG2 H 1 2.257 . . 2 . 628 . . 70 GLN HG2 . 19779 1
695 . 2 1 70 70 GLN HG3 H 1 2.121 . . 2 . 629 . . 70 GLN HG3 . 19779 1
696 . 2 1 70 70 GLN HE21 H 1 7.341 . . 1 . 626 . . 70 GLN HE21 . 19779 1
697 . 2 1 70 70 GLN HE22 H 1 6.535 . . 1 . 627 . . 70 GLN HE22 . 19779 1
698 . 2 1 70 70 GLN C C 13 174.968 . . 1 . 618 . . 70 GLN C . 19779 1
699 . 2 1 70 70 GLN CA C 13 54.437 . . 1 . 619 . . 70 GLN CA . 19779 1
700 . 2 1 70 70 GLN CB C 13 32.577 . . 1 . 620 . . 70 GLN CB . 19779 1
701 . 2 1 70 70 GLN CG C 13 34.686 . . 1 . 621 . . 70 GLN CG . 19779 1
702 . 2 1 70 70 GLN N N 15 113.440 . . 1 . 630 . . 70 GLN N . 19779 1
703 . 2 1 70 70 GLN NE2 N 15 110.440 . . 1 . 631 . . 70 GLN NE2 . 19779 1
704 . 2 1 71 71 THR H H 1 8.428 . . 1 . 636 . . 71 THR H . 19779 1
705 . 2 1 71 71 THR HA H 1 4.386 . . 1 . 637 . . 71 THR HA . 19779 1
706 . 2 1 71 71 THR HB H 1 4.581 . . 1 . 638 . . 71 THR HB . 19779 1
707 . 2 1 71 71 THR HG21 H 1 1.350 . . 1 . 639 . . 71 THR HG21 . 19779 1
708 . 2 1 71 71 THR HG22 H 1 1.350 . . 1 . 639 . . 71 THR HG22 . 19779 1
709 . 2 1 71 71 THR HG23 H 1 1.350 . . 1 . 639 . . 71 THR HG23 . 19779 1
710 . 2 1 71 71 THR C C 13 175.450 . . 1 . 632 . . 71 THR C . 19779 1
711 . 2 1 71 71 THR CA C 13 60.894 . . 1 . 633 . . 71 THR CA . 19779 1
712 . 2 1 71 71 THR CB C 13 71.166 . . 1 . 634 . . 71 THR CB . 19779 1
713 . 2 1 71 71 THR CG2 C 13 22.133 . . 1 . 635 . . 71 THR CG2 . 19779 1
714 . 2 1 71 71 THR N N 15 110.884 . . 1 . 640 . . 71 THR N . 19779 1
715 . 2 1 72 72 LEU H H 1 9.142 . . 1 . 647 . . 72 LEU H . 19779 1
716 . 2 1 72 72 LEU HA H 1 4.317 . . 1 . 648 . . 72 LEU HA . 19779 1
717 . 2 1 72 72 LEU HB2 H 1 1.620 . . 2 . 649 . . 72 LEU HB2 . 19779 1
718 . 2 1 72 72 LEU HB3 H 1 1.451 . . 2 . 650 . . 72 LEU HB3 . 19779 1
719 . 2 1 72 72 LEU HG H 1 0.572 . . 1 . 653 . . 72 LEU HG . 19779 1
720 . 2 1 72 72 LEU HD11 H 1 0.800 . . 1 . 651 . . 72 LEU HD11 . 19779 1
721 . 2 1 72 72 LEU HD12 H 1 0.800 . . 1 . 651 . . 72 LEU HD12 . 19779 1
722 . 2 1 72 72 LEU HD13 H 1 0.800 . . 1 . 651 . . 72 LEU HD13 . 19779 1
723 . 2 1 72 72 LEU HD21 H 1 0.800 . . 1 . 652 . . 72 LEU HD21 . 19779 1
724 . 2 1 72 72 LEU HD22 H 1 0.800 . . 1 . 652 . . 72 LEU HD22 . 19779 1
725 . 2 1 72 72 LEU HD23 H 1 0.800 . . 1 . 652 . . 72 LEU HD23 . 19779 1
726 . 2 1 72 72 LEU C C 13 175.057 . . 1 . 641 . . 72 LEU C . 19779 1
727 . 2 1 72 72 LEU CA C 13 58.886 . . 1 . 642 . . 72 LEU CA . 19779 1
728 . 2 1 72 72 LEU CB C 13 39.907 . . 1 . 643 . . 72 LEU CB . 19779 1
729 . 2 1 72 72 LEU CG C 13 26.652 . . 1 . 646 . . 72 LEU CG . 19779 1
730 . 2 1 72 72 LEU CD1 C 13 22.535 . . 1 . 644 . . 72 LEU CD1 . 19779 1
731 . 2 1 72 72 LEU CD2 C 13 22.535 . . 1 . 645 . . 72 LEU CD2 . 19779 1
732 . 2 1 72 72 LEU N N 15 119.613 . . 1 . 654 . . 72 LEU N . 19779 1
733 . 2 1 73 73 PRO HA H 1 4.015 . . 1 . 660 . . 73 PRO HA . 19779 1
734 . 2 1 73 73 PRO HB2 H 1 1.799 . . 2 . 661 . . 73 PRO HB2 . 19779 1
735 . 2 1 73 73 PRO HB3 H 1 2.158 . . 2 . 662 . . 73 PRO HB3 . 19779 1
736 . 2 1 73 73 PRO HG2 H 1 2.340 . . 2 . 665 . . 73 PRO HG2 . 19779 1
737 . 2 1 73 73 PRO HG3 H 1 1.710 . . 2 . 666 . . 73 PRO HG3 . 19779 1
738 . 2 1 73 73 PRO HD2 H 1 4.040 . . 2 . 663 . . 73 PRO HD2 . 19779 1
739 . 2 1 73 73 PRO HD3 H 1 3.350 . . 2 . 664 . . 73 PRO HD3 . 19779 1
740 . 2 1 73 73 PRO C C 13 178.453 . . 1 . 655 . . 73 PRO C . 19779 1
741 . 2 1 73 73 PRO CA C 13 66.710 . . 1 . 656 . . 73 PRO CA . 19779 1
742 . 2 1 73 73 PRO CB C 13 30.751 . . 1 . 657 . . 73 PRO CB . 19779 1
743 . 2 1 73 73 PRO CG C 13 29.250 . . 1 . 659 . . 73 PRO CG . 19779 1
744 . 2 1 73 73 PRO CD C 13 49.748 . . 1 . 658 . . 73 PRO CD . 19779 1
745 . 2 1 74 74 GLU H H 1 6.973 . . 1 . 671 . . 74 GLU H . 19779 1
746 . 2 1 74 74 GLU HA H 1 3.998 . . 1 . 672 . . 74 GLU HA . 19779 1
747 . 2 1 74 74 GLU HB2 H 1 1.961 . . 2 . 673 . . 74 GLU HB2 . 19779 1
748 . 2 1 74 74 GLU HB3 H 1 2.308 . . 2 . 674 . . 74 GLU HB3 . 19779 1
749 . 2 1 74 74 GLU HG2 H 1 2.218 . . 1 . 675 . . 74 GLU HG2 . 19779 1
750 . 2 1 74 74 GLU HG3 H 1 2.218 . . 1 . 676 . . 74 GLU HG3 . 19779 1
751 . 2 1 74 74 GLU C C 13 179.722 . . 1 . 667 . . 74 GLU C . 19779 1
752 . 2 1 74 74 GLU CA C 13 59.518 . . 1 . 668 . . 74 GLU CA . 19779 1
753 . 2 1 74 74 GLU CB C 13 30.001 . . 1 . 669 . . 74 GLU CB . 19779 1
754 . 2 1 74 74 GLU CG C 13 37.296 . . 1 . 670 . . 74 GLU CG . 19779 1
755 . 2 1 74 74 GLU N N 15 117.145 . . 1 . 677 . . 74 GLU N . 19779 1
756 . 2 1 75 75 ILE H H 1 8.035 . . 1 . 684 . . 75 ILE H . 19779 1
757 . 2 1 75 75 ILE HA H 1 3.590 . . 1 . 685 . . 75 ILE HA . 19779 1
758 . 2 1 75 75 ILE HB H 1 1.826 . . 1 . 686 . . 75 ILE HB . 19779 1
759 . 2 1 75 75 ILE HG12 H 1 0.875 . . 2 . 688 . . 75 ILE HG12 . 19779 1
760 . 2 1 75 75 ILE HG13 H 1 1.580 . . 2 . 689 . . 75 ILE HG13 . 19779 1
761 . 2 1 75 75 ILE HG21 H 1 0.680 . . 1 . 690 . . 75 ILE HG21 . 19779 1
762 . 2 1 75 75 ILE HG22 H 1 0.680 . . 1 . 690 . . 75 ILE HG22 . 19779 1
763 . 2 1 75 75 ILE HG23 H 1 0.680 . . 1 . 690 . . 75 ILE HG23 . 19779 1
764 . 2 1 75 75 ILE HD11 H 1 0.596 . . 1 . 687 . . 75 ILE HD11 . 19779 1
765 . 2 1 75 75 ILE HD12 H 1 0.596 . . 1 . 687 . . 75 ILE HD12 . 19779 1
766 . 2 1 75 75 ILE HD13 H 1 0.596 . . 1 . 687 . . 75 ILE HD13 . 19779 1
767 . 2 1 75 75 ILE C C 13 178.292 . . 1 . 678 . . 75 ILE C . 19779 1
768 . 2 1 75 75 ILE CA C 13 64.710 . . 1 . 679 . . 75 ILE CA . 19779 1
769 . 2 1 75 75 ILE CB C 13 39.000 . . 1 . 680 . . 75 ILE CB . 19779 1
770 . 2 1 75 75 ILE CG1 C 13 28.874 . . 1 . 682 . . 75 ILE CG1 . 19779 1
771 . 2 1 75 75 ILE CG2 C 13 17.313 . . 1 . 683 . . 75 ILE CG2 . 19779 1
772 . 2 1 75 75 ILE CD1 C 13 14.501 . . 1 . 681 . . 75 ILE CD1 . 19779 1
773 . 2 1 75 75 ILE N N 15 120.314 . . 1 . 691 . . 75 ILE N . 19779 1
774 . 2 1 76 76 PHE H H 1 8.789 . . 1 . 699 . . 76 PHE H . 19779 1
775 . 2 1 76 76 PHE HA H 1 3.749 . . 1 . 700 . . 76 PHE HA . 19779 1
776 . 2 1 76 76 PHE HB2 H 1 2.716 . . 2 . 701 . . 76 PHE HB2 . 19779 1
777 . 2 1 76 76 PHE HB3 H 1 2.956 . . 2 . 702 . . 76 PHE HB3 . 19779 1
778 . 2 1 76 76 PHE HD1 H 1 6.857 . . 1 . 703 . . 76 PHE HD1 . 19779 1
779 . 2 1 76 76 PHE HD2 H 1 6.857 . . 1 . 704 . . 76 PHE HD2 . 19779 1
780 . 2 1 76 76 PHE HE1 H 1 7.059 . . 1 . 705 . . 76 PHE HE1 . 19779 1
781 . 2 1 76 76 PHE HE2 H 1 7.059 . . 1 . 706 . . 76 PHE HE2 . 19779 1
782 . 2 1 76 76 PHE C C 13 176.290 . . 1 . 692 . . 76 PHE C . 19779 1
783 . 2 1 76 76 PHE CA C 13 62.645 . . 1 . 693 . . 76 PHE CA . 19779 1
784 . 2 1 76 76 PHE CB C 13 40.811 . . 1 . 694 . . 76 PHE CB . 19779 1
785 . 2 1 76 76 PHE CD1 C 13 131.695 . . 1 . 695 . . 76 PHE CD1 . 19779 1
786 . 2 1 76 76 PHE CD2 C 13 131.695 . . 1 . 696 . . 76 PHE CD2 . 19779 1
787 . 2 1 76 76 PHE CE1 C 13 131.148 . . 1 . 697 . . 76 PHE CE1 . 19779 1
788 . 2 1 76 76 PHE CE2 C 13 131.148 . . 1 . 698 . . 76 PHE CE2 . 19779 1
789 . 2 1 76 76 PHE N N 15 121.192 . . 1 . 707 . . 76 PHE N . 19779 1
790 . 2 1 77 77 GLU H H 1 8.396 . . 1 . 712 . . 77 GLU H . 19779 1
791 . 2 1 77 77 GLU HA H 1 3.755 . . 1 . 713 . . 77 GLU HA . 19779 1
792 . 2 1 77 77 GLU HB2 H 1 1.990 . . 2 . 714 . . 77 GLU HB2 . 19779 1
793 . 2 1 77 77 GLU HB3 H 1 2.170 . . 2 . 715 . . 77 GLU HB3 . 19779 1
794 . 2 1 77 77 GLU HG2 H 1 2.325 . . 2 . 716 . . 77 GLU HG2 . 19779 1
795 . 2 1 77 77 GLU HG3 H 1 2.260 . . 2 . 717 . . 77 GLU HG3 . 19779 1
796 . 2 1 77 77 GLU C C 13 178.774 . . 1 . 708 . . 77 GLU C . 19779 1
797 . 2 1 77 77 GLU CA C 13 59.100 . . 1 . 709 . . 77 GLU CA . 19779 1
798 . 2 1 77 77 GLU CB C 13 29.298 . . 1 . 710 . . 77 GLU CB . 19779 1
799 . 2 1 77 77 GLU CG C 13 36.100 . . 1 . 711 . . 77 GLU CG . 19779 1
800 . 2 1 77 77 GLU N N 15 117.924 . . 1 . 718 . . 77 GLU N . 19779 1
801 . 2 1 78 78 ALA H H 1 7.238 . . 1 . 722 . . 78 ALA H . 19779 1
802 . 2 1 78 78 ALA HA H 1 4.030 . . 1 . 723 . . 78 ALA HA . 19779 1
803 . 2 1 78 78 ALA HB1 H 1 1.358 . . 1 . 724 . . 78 ALA HB1 . 19779 1
804 . 2 1 78 78 ALA HB2 H 1 1.358 . . 1 . 724 . . 78 ALA HB2 . 19779 1
805 . 2 1 78 78 ALA HB3 H 1 1.358 . . 1 . 724 . . 78 ALA HB3 . 19779 1
806 . 2 1 78 78 ALA C C 13 179.203 . . 1 . 719 . . 78 ALA C . 19779 1
807 . 2 1 78 78 ALA CA C 13 54.568 . . 1 . 720 . . 78 ALA CA . 19779 1
808 . 2 1 78 78 ALA CB C 13 18.016 . . 1 . 721 . . 78 ALA CB . 19779 1
809 . 2 1 78 78 ALA N N 15 119.676 . . 1 . 725 . . 78 ALA N . 19779 1
810 . 2 1 79 79 ALA H H 1 7.208 . . 1 . 729 . . 79 ALA H . 19779 1
811 . 2 1 79 79 ALA HA H 1 4.095 . . 1 . 730 . . 79 ALA HA . 19779 1
812 . 2 1 79 79 ALA HB1 H 1 1.177 . . 1 . 731 . . 79 ALA HB1 . 19779 1
813 . 2 1 79 79 ALA HB2 H 1 1.177 . . 1 . 731 . . 79 ALA HB2 . 19779 1
814 . 2 1 79 79 ALA HB3 H 1 1.177 . . 1 . 731 . . 79 ALA HB3 . 19779 1
815 . 2 1 79 79 ALA C C 13 178.757 . . 1 . 726 . . 79 ALA C . 19779 1
816 . 2 1 79 79 ALA CA C 13 53.464 . . 1 . 727 . . 79 ALA CA . 19779 1
817 . 2 1 79 79 ALA CB C 13 19.121 . . 1 . 728 . . 79 ALA CB . 19779 1
818 . 2 1 79 79 ALA N N 15 119.815 . . 1 . 732 . . 79 ALA N . 19779 1
819 . 2 1 80 80 ALA H H 1 7.893 . . 1 . 736 . . 80 ALA H . 19779 1
820 . 2 1 80 80 ALA HA H 1 3.963 . . 1 . 737 . . 80 ALA HA . 19779 1
821 . 2 1 80 80 ALA HB1 H 1 1.085 . . 1 . 738 . . 80 ALA HB1 . 19779 1
822 . 2 1 80 80 ALA HB2 H 1 1.085 . . 1 . 738 . . 80 ALA HB2 . 19779 1
823 . 2 1 80 80 ALA HB3 H 1 1.085 . . 1 . 738 . . 80 ALA HB3 . 19779 1
824 . 2 1 80 80 ALA C C 13 178.060 . . 1 . 733 . . 80 ALA C . 19779 1
825 . 2 1 80 80 ALA CA C 13 53.208 . . 1 . 734 . . 80 ALA CA . 19779 1
826 . 2 1 80 80 ALA CB C 13 18.849 . . 1 . 735 . . 80 ALA CB . 19779 1
827 . 2 1 80 80 ALA N N 15 119.921 . . 1 . 739 . . 80 ALA N . 19779 1
828 . 2 1 81 81 THR H H 1 7.511 . . 1 . 744 . . 81 THR H . 19779 1
829 . 2 1 81 81 THR HA H 1 4.220 . . 1 . 745 . . 81 THR HA . 19779 1
830 . 2 1 81 81 THR HB H 1 4.201 . . 1 . 746 . . 81 THR HB . 19779 1
831 . 2 1 81 81 THR HG21 H 1 1.186 . . 1 . 747 . . 81 THR HG21 . 19779 1
832 . 2 1 81 81 THR HG22 H 1 1.186 . . 1 . 747 . . 81 THR HG22 . 19779 1
833 . 2 1 81 81 THR HG23 H 1 1.186 . . 1 . 747 . . 81 THR HG23 . 19779 1
834 . 2 1 81 81 THR C C 13 175.272 . . 1 . 740 . . 81 THR C . 19779 1
835 . 2 1 81 81 THR CA C 13 62.802 . . 1 . 741 . . 81 THR CA . 19779 1
836 . 2 1 81 81 THR CB C 13 69.832 . . 1 . 742 . . 81 THR CB . 19779 1
837 . 2 1 81 81 THR CG2 C 13 21.431 . . 1 . 743 . . 81 THR CG2 . 19779 1
838 . 2 1 81 81 THR N N 15 110.532 . . 1 . 748 . . 81 THR N . 19779 1
839 . 2 1 82 82 GLY H H 1 8.068 . . 1 . 751 . . 82 GLY H . 19779 1
840 . 2 1 82 82 GLY HA2 H 1 3.871 . . 2 . 752 . . 82 GLY HA2 . 19779 1
841 . 2 1 82 82 GLY HA3 H 1 3.877 . . 2 . 753 . . 82 GLY HA3 . 19779 1
842 . 2 1 82 82 GLY C C 13 173.216 . . 1 . 749 . . 82 GLY C . 19779 1
843 . 2 1 82 82 GLY CA C 13 45.760 . . 1 . 750 . . 82 GLY CA . 19779 1
844 . 2 1 82 82 GLY N N 15 111.737 . . 1 . 754 . . 82 GLY N . 19779 1
845 . 2 1 83 83 LYS H H 1 7.721 . . 1 . 761 . . 83 LYS H . 19779 1
846 . 2 1 83 83 LYS HA H 1 4.146 . . 1 . 762 . . 83 LYS HA . 19779 1
847 . 2 1 83 83 LYS HB2 H 1 1.584 . . 2 . 763 . . 83 LYS HB2 . 19779 1
848 . 2 1 83 83 LYS HB3 H 1 1.781 . . 2 . 764 . . 83 LYS HB3 . 19779 1
849 . 2 1 83 83 LYS HG2 H 1 1.298 . . 1 . 769 . . 83 LYS HG2 . 19779 1
850 . 2 1 83 83 LYS HG3 H 1 1.298 . . 1 . 770 . . 83 LYS HG3 . 19779 1
851 . 2 1 83 83 LYS HD2 H 1 1.600 . . 1 . 765 . . 83 LYS HD2 . 19779 1
852 . 2 1 83 83 LYS HD3 H 1 1.600 . . 1 . 766 . . 83 LYS HD3 . 19779 1
853 . 2 1 83 83 LYS HE2 H 1 2.920 . . 1 . 767 . . 83 LYS HE2 . 19779 1
854 . 2 1 83 83 LYS HE3 H 1 2.920 . . 1 . 768 . . 83 LYS HE3 . 19779 1
855 . 2 1 83 83 LYS C C 13 181.223 . . 1 . 755 . . 83 LYS C . 19779 1
856 . 2 1 83 83 LYS CA C 13 57.179 . . 1 . 756 . . 83 LYS CA . 19779 1
857 . 2 1 83 83 LYS CB C 13 33.882 . . 1 . 757 . . 83 LYS CB . 19779 1
858 . 2 1 83 83 LYS CG C 13 24.845 . . 1 . 760 . . 83 LYS CG . 19779 1
859 . 2 1 83 83 LYS CD C 13 28.861 . . 1 . 758 . . 83 LYS CD . 19779 1
860 . 2 1 83 83 LYS CE C 13 42.016 . . 1 . 759 . . 83 LYS CE . 19779 1
861 . 2 1 83 83 LYS N N 15 125.680 . . 1 . 771 . . 83 LYS N . 19779 1
stop_
save_