###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 52393
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name StREM13_150-198
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_4
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 52393 1
2 '2D 1H-1H TOCSY' . . . 52393 1
3 '2D 1H-1H NOESY' . . . 52393 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 52393 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 1 1 ASN H H 1 8.294 0.008 . 1 . . 815 . . 1 ASN H . 52393 1
2 . 1 . 1 1 1 ASN HA H 1 4.542 0.001 . 1 . . 817 . . 1 ASN HA . 52393 1
3 . 1 . 1 1 1 ASN HB2 H 1 2.736 0.008 . 1 . . 816 . . 1 ASN HB2 . 52393 1
4 . 1 . 1 1 1 ASN HD21 H 1 7.576 0.002 . 1 . . 911 . . 1 ASN HD21 . 52393 1
5 . 1 . 1 1 1 ASN HD22 H 1 6.857 0.002 . 1 . . 912 . . 1 ASN HD22 . 52393 1
6 . 1 . 1 1 1 ASN N N 15 124.799 . . 1 . . 900 . . 1 ASN N . 52393 1
7 . 1 . 1 1 1 ASN ND2 N 15 112.690 . . 1 . . 1146 . . 1 ASN ND2 . 52393 1
8 . 1 . 1 2 2 LYS H H 1 8.393 0.006 . 1 . . 735 . . 2 LYS H . 52393 1
9 . 1 . 1 2 2 LYS HA H 1 4.113 0.001 . 1 . . 737 . . 2 LYS HA . 52393 1
10 . 1 . 1 2 2 LYS HB2 H 1 1.782 0.001 . 2 . . 741 . . 2 LYS HB2 . 52393 1
11 . 1 . 1 2 2 LYS HB3 H 1 1.745 0.001 . 2 . . 742 . . 2 LYS HB3 . 52393 1
12 . 1 . 1 2 2 LYS HG2 H 1 1.416 0.002 . 2 . . 743 . . 2 LYS HG2 . 52393 1
13 . 1 . 1 2 2 LYS HG3 H 1 1.329 0.002 . 2 . . 744 . . 2 LYS HG3 . 52393 1
14 . 1 . 1 2 2 LYS HD2 H 1 1.608 0.002 . 2 . . 740 . . 2 LYS HD2 . 52393 1
15 . 1 . 1 2 2 LYS HD3 H 1 1.556 0.009 . 2 . . 1032 . . 2 LYS HD3 . 52393 1
16 . 1 . 1 2 2 LYS HE2 H 1 2.911 0.004 . 1 . . 739 . . 2 LYS HE2 . 52393 1
17 . 1 . 1 2 2 LYS HZ1 H 1 7.473 0.002 . 1 . . 738 . . 2 LYS HZ1 . 52393 1
18 . 1 . 1 2 2 LYS HZ2 H 1 7.473 0.002 . 1 . . 738 . . 2 LYS HZ2 . 52393 1
19 . 1 . 1 2 2 LYS HZ3 H 1 7.473 0.002 . 1 . . 738 . . 2 LYS HZ3 . 52393 1
20 . 1 . 1 2 2 LYS N N 15 121.862 . . 1 . . 736 . . 2 LYS N . 52393 1
21 . 1 . 1 3 3 ILE H H 1 7.853 0.001 . 1 . . 785 . . 3 ILE H . 52393 1
22 . 1 . 1 3 3 ILE HA H 1 3.827 0.006 . 1 . . 787 . . 3 ILE HA . 52393 1
23 . 1 . 1 3 3 ILE HB H 1 1.801 0.002 . 1 . . 789 . . 3 ILE HB . 52393 1
24 . 1 . 1 3 3 ILE HG12 H 1 1.144 0.002 . 2 . . 790 . . 3 ILE HG12 . 52393 1
25 . 1 . 1 3 3 ILE HG13 H 1 1.397 0.006 . 2 . . 791 . . 3 ILE HG13 . 52393 1
26 . 1 . 1 3 3 ILE HG21 H 1 0.823 0.005 . 1 . . 1148 . . 3 ILE HG21 . 52393 1
27 . 1 . 1 3 3 ILE HG22 H 1 0.823 0.005 . 1 . . 1148 . . 3 ILE HG22 . 52393 1
28 . 1 . 1 3 3 ILE HG23 H 1 0.823 0.005 . 1 . . 1148 . . 3 ILE HG23 . 52393 1
29 . 1 . 1 3 3 ILE HD11 H 1 0.780 0.001 . 1 . . 788 . . 3 ILE HD11 . 52393 1
30 . 1 . 1 3 3 ILE HD12 H 1 0.780 0.001 . 1 . . 788 . . 3 ILE HD12 . 52393 1
31 . 1 . 1 3 3 ILE HD13 H 1 0.780 0.001 . 1 . . 788 . . 3 ILE HD13 . 52393 1
32 . 1 . 1 3 3 ILE N N 15 120.367 . . 1 . . 786 . . 3 ILE N . 52393 1
33 . 1 . 1 4 4 ALA H H 1 8.032 0.002 . 1 . . 913 . . 4 ALA H . 52393 1
34 . 1 . 1 4 4 ALA HA H 1 4.145 0.0 . 1 . . 916 . . 4 ALA HA . 52393 1
35 . 1 . 1 4 4 ALA HB1 H 1 1.346 0.002 . 1 . . 915 . . 4 ALA HB1 . 52393 1
36 . 1 . 1 4 4 ALA HB2 H 1 1.346 0.002 . 1 . . 915 . . 4 ALA HB2 . 52393 1
37 . 1 . 1 4 4 ALA HB3 H 1 1.346 0.002 . 1 . . 915 . . 4 ALA HB3 . 52393 1
38 . 1 . 1 4 4 ALA N N 15 125.394 . . 1 . . 914 . . 4 ALA N . 52393 1
39 . 1 . 1 5 5 LEU H H 1 7.924 0.002 . 1 . . 917 . . 5 LEU H . 52393 1
40 . 1 . 1 5 5 LEU HA H 1 4.123 0.002 . 1 . . 920 . . 5 LEU HA . 52393 1
41 . 1 . 1 5 5 LEU HB2 H 1 1.620 0.0 . 1 . . 922 . . 5 LEU HB2 . 52393 1
42 . 1 . 1 5 5 LEU HG H 1 1.559 0.001 . 1 . . 1031 . . 5 LEU HG . 52393 1
43 . 1 . 1 5 5 LEU HD11 H 1 0.842 0.003 . 2 . . 918 . . 5 LEU HD11 . 52393 1
44 . 1 . 1 5 5 LEU HD12 H 1 0.842 0.003 . 2 . . 918 . . 5 LEU HD12 . 52393 1
45 . 1 . 1 5 5 LEU HD13 H 1 0.842 0.003 . 2 . . 918 . . 5 LEU HD13 . 52393 1
46 . 1 . 1 5 5 LEU HD21 H 1 0.795 0.001 . 2 . . 919 . . 5 LEU HD21 . 52393 1
47 . 1 . 1 5 5 LEU HD22 H 1 0.795 0.001 . 2 . . 919 . . 5 LEU HD22 . 52393 1
48 . 1 . 1 5 5 LEU HD23 H 1 0.795 0.001 . 2 . . 919 . . 5 LEU HD23 . 52393 1
49 . 1 . 1 5 5 LEU N N 15 120.637 . . 1 . . 921 . . 5 LEU N . 52393 1
50 . 1 . 1 6 6 LEU H H 1 7.967 0.002 . 1 . . 994 . . 6 LEU H . 52393 1
51 . 1 . 1 6 6 LEU HA H 1 4.108 0.001 . 1 . . 999 . . 6 LEU HA . 52393 1
52 . 1 . 1 6 6 LEU HB2 H 1 1.609 0.002 . 2 . . 1036 . . 6 LEU HB2 . 52393 1
53 . 1 . 1 6 6 LEU HB3 H 1 1.686 0.001 . 2 . . 1149 . . 6 LEU HB3 . 52393 1
54 . 1 . 1 6 6 LEU HG H 1 1.458 0.005 . 1 . . 997 . . 6 LEU HG . 52393 1
55 . 1 . 1 6 6 LEU HD11 H 1 0.826 0.003 . 2 . . 996 . . 6 LEU HD11 . 52393 1
56 . 1 . 1 6 6 LEU HD12 H 1 0.826 0.003 . 2 . . 996 . . 6 LEU HD12 . 52393 1
57 . 1 . 1 6 6 LEU HD13 H 1 0.826 0.003 . 2 . . 996 . . 6 LEU HD13 . 52393 1
58 . 1 . 1 6 6 LEU HD21 H 1 0.783 0.002 . 2 . . 998 . . 6 LEU HD21 . 52393 1
59 . 1 . 1 6 6 LEU HD22 H 1 0.783 0.002 . 2 . . 998 . . 6 LEU HD22 . 52393 1
60 . 1 . 1 6 6 LEU HD23 H 1 0.783 0.002 . 2 . . 998 . . 6 LEU HD23 . 52393 1
61 . 1 . 1 6 6 LEU N N 15 120.904 . . 1 . . 995 . . 6 LEU N . 52393 1
62 . 1 . 1 7 7 HIS H H 1 8.252 0.002 . 1 . . 936 . . 7 HIS H . 52393 1
63 . 1 . 1 7 7 HIS HA H 1 4.506 0.003 . 1 . . 935 . . 7 HIS HA . 52393 1
64 . 1 . 1 7 7 HIS HB2 H 1 3.248 0.001 . 2 . . 933 . . 7 HIS HB2 . 52393 1
65 . 1 . 1 7 7 HIS HB3 H 1 3.212 0.001 . 2 . . 937 . . 7 HIS HB3 . 52393 1
66 . 1 . 1 7 7 HIS HD1 H 1 7.230 0.001 . 1 . . 932 . . 7 HIS HD1 . 52393 1
67 . 1 . 1 7 7 HIS HD2 H 1 8.542 0.002 . 1 . . 934 . . 7 HIS HD2 . 52393 1
68 . 1 . 1 7 7 HIS N N 15 118.300 . . 1 . . 931 . . 7 HIS N . 52393 1
69 . 1 . 1 8 8 LYS H H 1 8.154 0.002 . 1 . . 939 . . 8 LYS H . 52393 1
70 . 1 . 1 8 8 LYS HA H 1 4.090 0.0 . 1 . . 1043 . . 8 LYS HA . 52393 1
71 . 1 . 1 8 8 LYS HB2 H 1 1.862 0.004 . 1 . . 942 . . 8 LYS HB2 . 52393 1
72 . 1 . 1 8 8 LYS HG2 H 1 1.372 0.002 . 1 . . 1011 . . 8 LYS HG2 . 52393 1
73 . 1 . 1 8 8 LYS HD2 H 1 1.614 0.002 . 1 . . 1044 . . 8 LYS HD2 . 52393 1
74 . 1 . 1 8 8 LYS HE2 H 1 2.907 0.0 . 1 . . 847 . . 8 LYS HE2 . 52393 1
75 . 1 . 1 8 8 LYS N N 15 121.964 . . 1 . . 1010 . . 8 LYS N . 52393 1
76 . 1 . 1 9 9 GLU H H 1 8.356 0.004 . 1 . . 745 . . 9 GLU H . 52393 1
77 . 1 . 1 9 9 GLU HA H 1 4.097 0.0 . 1 . . 747 . . 9 GLU HA . 52393 1
78 . 1 . 1 9 9 GLU HB2 H 1 2.020 0.001 . 2 . . 750 . . 9 GLU HB2 . 52393 1
79 . 1 . 1 9 9 GLU HB3 H 1 2.061 0.003 . 2 . . 1150 . . 9 GLU HB3 . 52393 1
80 . 1 . 1 9 9 GLU HG2 H 1 2.507 0.008 . 2 . . 748 . . 9 GLU HG2 . 52393 1
81 . 1 . 1 9 9 GLU HG3 H 1 2.391 0.005 . 2 . . 749 . . 9 GLU HG3 . 52393 1
82 . 1 . 1 9 9 GLU N N 15 119.838 . . 1 . . 746 . . 9 GLU N . 52393 1
83 . 1 . 1 10 10 ALA H H 1 8.105 0.004 . 1 . . 943 . . 10 ALA H . 52393 1
84 . 1 . 1 10 10 ALA HA H 1 4.147 0.0 . 1 . . 946 . . 10 ALA HA . 52393 1
85 . 1 . 1 10 10 ALA HB1 H 1 1.404 0.003 . 1 . . 945 . . 10 ALA HB1 . 52393 1
86 . 1 . 1 10 10 ALA HB2 H 1 1.404 0.003 . 1 . . 945 . . 10 ALA HB2 . 52393 1
87 . 1 . 1 10 10 ALA HB3 H 1 1.404 0.003 . 1 . . 945 . . 10 ALA HB3 . 52393 1
88 . 1 . 1 10 10 ALA N N 15 123.402 . . 1 . . 944 . . 10 ALA N . 52393 1
89 . 1 . 1 11 11 GLU H H 1 8.051 0.002 . 1 . . 854 . . 11 GLU H . 52393 1
90 . 1 . 1 11 11 GLU HA H 1 4.094 0.001 . 1 . . 855 . . 11 GLU HA . 52393 1
91 . 1 . 1 11 11 GLU HB2 H 1 2.043 0.003 . 2 . . 857 . . 11 GLU HB2 . 52393 1
92 . 1 . 1 11 11 GLU HB3 H 1 2.009 0.0 . 2 . . 1147 . . 11 GLU HB3 . 52393 1
93 . 1 . 1 11 11 GLU HG2 H 1 2.332 0.009 . 2 . . 853 . . 11 GLU HG2 . 52393 1
94 . 1 . 1 11 11 GLU HG3 H 1 2.378 0.001 . 2 . . 856 . . 11 GLU HG3 . 52393 1
95 . 1 . 1 11 11 GLU N N 15 118.888 . . 1 . . 976 . . 11 GLU N . 52393 1
96 . 1 . 1 12 12 GLU H H 1 8.182 0.002 . 1 . . 1026 . . 12 GLU H . 52393 1
97 . 1 . 1 12 12 GLU HA H 1 4.100 0.0 . 1 . . 1027 . . 12 GLU HA . 52393 1
98 . 1 . 1 12 12 GLU HB2 H 1 2.049 0.002 . 1 . . 1030 . . 12 GLU HB2 . 52393 1
99 . 1 . 1 12 12 GLU HG2 H 1 2.499 0.006 . 2 . . 1028 . . 12 GLU HG2 . 52393 1
100 . 1 . 1 12 12 GLU HG3 H 1 2.402 0.003 . 2 . . 1029 . . 12 GLU HG3 . 52393 1
101 . 1 . 1 12 12 GLU N N 15 120.878 . . 1 . . 1045 . . 12 GLU N . 52393 1
102 . 1 . 1 13 13 LYS H H 1 8.073 0.002 . 1 . . 948 . . 13 LYS H . 52393 1
103 . 1 . 1 13 13 LYS HA H 1 4.140 0.003 . 1 . . 1049 . . 13 LYS HA . 52393 1
104 . 1 . 1 13 13 LYS HB2 H 1 1.793 0.001 . 1 . . 1051 . . 13 LYS HB2 . 52393 1
105 . 1 . 1 13 13 LYS HG2 H 1 1.369 0.002 . 2 . . 1053 . . 13 LYS HG2 . 52393 1
106 . 1 . 1 13 13 LYS HG3 H 1 1.472 0.005 . 2 . . 1152 . . 13 LYS HG3 . 52393 1
107 . 1 . 1 13 13 LYS HD2 H 1 1.617 0.001 . 1 . . 1052 . . 13 LYS HD2 . 52393 1
108 . 1 . 1 13 13 LYS HE2 H 1 2.912 0.003 . 1 . . 1050 . . 13 LYS HE2 . 52393 1
109 . 1 . 1 13 13 LYS HZ1 H 1 7.487 0.012 . 1 . . 1151 . . 13 LYS HZ1 . 52393 1
110 . 1 . 1 13 13 LYS HZ2 H 1 7.487 0.012 . 1 . . 1151 . . 13 LYS HZ2 . 52393 1
111 . 1 . 1 13 13 LYS HZ3 H 1 7.487 0.012 . 1 . . 1151 . . 13 LYS HZ3 . 52393 1
112 . 1 . 1 13 13 LYS N N 15 121.274 . . 1 . . 1048 . . 13 LYS N . 52393 1
113 . 1 . 1 14 14 ARG H H 1 7.940 0.005 . 1 . . 992 . . 14 ARG H . 52393 1
114 . 1 . 1 14 14 ARG HA H 1 4.077 0.003 . 1 . . 1145 . . 14 ARG HA . 52393 1
115 . 1 . 1 14 14 ARG HB2 H 1 1.796 0.002 . 1 . . 960 . . 14 ARG HB2 . 52393 1
116 . 1 . 1 14 14 ARG HG2 H 1 1.536 0.002 . 2 . . 958 . . 14 ARG HG2 . 52393 1
117 . 1 . 1 14 14 ARG HG3 H 1 1.644 0.002 . 2 . . 959 . . 14 ARG HG3 . 52393 1
118 . 1 . 1 14 14 ARG HD2 H 1 3.128 0.001 . 1 . . 957 . . 14 ARG HD2 . 52393 1
119 . 1 . 1 14 14 ARG HE H 1 7.171 0.004 . 1 . . 981 . . 14 ARG HE . 52393 1
120 . 1 . 1 14 14 ARG N N 15 120.332 . . 1 . . 993 . . 14 ARG N . 52393 1
121 . 1 . 1 15 15 ALA H H 1 8.075 0.001 . 1 . . 1068 . . 15 ALA H . 52393 1
122 . 1 . 1 15 15 ALA HA H 1 4.128 0.0 . 1 . . 1071 . . 15 ALA HA . 52393 1
123 . 1 . 1 15 15 ALA HB1 H 1 1.370 0.002 . 1 . . 1047 . . 15 ALA HB1 . 52393 1
124 . 1 . 1 15 15 ALA HB2 H 1 1.370 0.002 . 1 . . 1047 . . 15 ALA HB2 . 52393 1
125 . 1 . 1 15 15 ALA HB3 H 1 1.370 0.002 . 1 . . 1047 . . 15 ALA HB3 . 52393 1
126 . 1 . 1 15 15 ALA N N 15 122.906 . . 1 . . 1069 . . 15 ALA N . 52393 1
127 . 1 . 1 16 16 MET H H 1 8.018 0.007 . 1 . . 798 . . 16 MET H . 52393 1
128 . 1 . 1 16 16 MET HA H 1 4.276 0.007 . 1 . . 801 . . 16 MET HA . 52393 1
129 . 1 . 1 16 16 MET HB2 H 1 2.075 0.014 . 1 . . 802 . . 16 MET HB2 . 52393 1
130 . 1 . 1 16 16 MET HG2 H 1 2.613 0.003 . 2 . . 799 . . 16 MET HG2 . 52393 1
131 . 1 . 1 16 16 MET HG3 H 1 2.507 0.008 . 2 . . 800 . . 16 MET HG3 . 52393 1
132 . 1 . 1 16 16 MET N N 15 119.153 . . 1 . . 986 . . 16 MET N . 52393 1
133 . 1 . 1 17 17 ILE H H 1 7.949 0.007 . 1 . . 923 . . 17 ILE H . 52393 1
134 . 1 . 1 17 17 ILE HA H 1 3.886 0.006 . 1 . . 926 . . 17 ILE HA . 52393 1
135 . 1 . 1 17 17 ILE HB H 1 1.850 0.005 . 1 . . 928 . . 17 ILE HB . 52393 1
136 . 1 . 1 17 17 ILE HG12 H 1 1.520 0.001 . 2 . . 927 . . 17 ILE HG12 . 52393 1
137 . 1 . 1 17 17 ILE HG13 H 1 1.132 0.006 . 2 . . 929 . . 17 ILE HG13 . 52393 1
138 . 1 . 1 17 17 ILE HG21 H 1 0.837 0.003 . 1 . . 924 . . 17 ILE HG21 . 52393 1
139 . 1 . 1 17 17 ILE HG22 H 1 0.837 0.003 . 1 . . 924 . . 17 ILE HG22 . 52393 1
140 . 1 . 1 17 17 ILE HG23 H 1 0.837 0.003 . 1 . . 924 . . 17 ILE HG23 . 52393 1
141 . 1 . 1 17 17 ILE HD11 H 1 0.784 0.003 . 1 . . 925 . . 17 ILE HD11 . 52393 1
142 . 1 . 1 17 17 ILE HD12 H 1 0.784 0.003 . 1 . . 925 . . 17 ILE HD12 . 52393 1
143 . 1 . 1 17 17 ILE HD13 H 1 0.784 0.003 . 1 . . 925 . . 17 ILE HD13 . 52393 1
144 . 1 . 1 17 17 ILE N N 15 121.756 . . 1 . . 987 . . 17 ILE N . 52393 1
145 . 1 . 1 18 18 GLU H H 1 8.220 0.002 . 1 . . 904 . . 18 GLU H . 52393 1
146 . 1 . 1 18 18 GLU HA H 1 4.143 0.0 . 1 . . 930 . . 18 GLU HA . 52393 1
147 . 1 . 1 18 18 GLU HB2 H 1 2.016 0.001 . 2 . . 905 . . 18 GLU HB2 . 52393 1
148 . 1 . 1 18 18 GLU HB3 H 1 1.973 0.006 . 2 . . 1193 . . 18 GLU HB3 . 52393 1
149 . 1 . 1 18 18 GLU HG2 H 1 2.408 0.003 . 2 . . 906 . . 18 GLU HG2 . 52393 1
150 . 1 . 1 18 18 GLU HG3 H 1 2.445 0.002 . 2 . . 1192 . . 18 GLU HG3 . 52393 1
151 . 1 . 1 18 18 GLU N N 15 122.057 . . 1 . . 903 . . 18 GLU N . 52393 1
152 . 1 . 1 19 19 ALA H H 1 8.094 0.004 . 1 . . 1007 . . 19 ALA H . 52393 1
153 . 1 . 1 19 19 ALA HA H 1 4.167 0.001 . 1 . . 1008 . . 19 ALA HA . 52393 1
154 . 1 . 1 19 19 ALA HB1 H 1 1.376 0.003 . 1 . . 1070 . . 19 ALA HB1 . 52393 1
155 . 1 . 1 19 19 ALA HB2 H 1 1.376 0.003 . 1 . . 1070 . . 19 ALA HB2 . 52393 1
156 . 1 . 1 19 19 ALA HB3 H 1 1.376 0.003 . 1 . . 1070 . . 19 ALA HB3 . 52393 1
157 . 1 . 1 19 19 ALA N N 15 124.040 . . 1 . . 1009 . . 19 ALA N . 52393 1
158 . 1 . 1 20 20 LYS H H 1 7.991 0.0 . 1 . . 1001 . . 20 LYS H . 52393 1
159 . 1 . 1 20 20 LYS HA H 1 4.147 0.0 . 1 . . 1006 . . 20 LYS HA . 52393 1
160 . 1 . 1 20 20 LYS HB2 H 1 1.762 0.001 . 2 . . 1004 . . 20 LYS HB2 . 52393 1
161 . 1 . 1 20 20 LYS HB3 H 1 1.811 0.005 . 2 . . 1194 . . 20 LYS HB3 . 52393 1
162 . 1 . 1 20 20 LYS HG2 H 1 1.443 0.007 . 2 . . 1195 . . 20 LYS HG2 . 52393 1
163 . 1 . 1 20 20 LYS HG3 H 1 1.382 0.002 . 2 . . 1206 . . 20 LYS HG3 . 52393 1
164 . 1 . 1 20 20 LYS HD2 H 1 1.618 0.002 . 1 . . 1003 . . 20 LYS HD2 . 52393 1
165 . 1 . 1 20 20 LYS HE2 H 1 2.922 0.0 . 1 . . 1005 . . 20 LYS HE2 . 52393 1
166 . 1 . 1 20 20 LYS N N 15 119.895 . . 1 . . 1002 . . 20 LYS N . 52393 1
167 . 1 . 1 21 21 ARG H H 1 8.141 0.002 . 1 . . 1074 . . 21 ARG H . 52393 1
168 . 1 . 1 21 21 ARG HA H 1 4.193 0.002 . 1 . . 971 . . 21 ARG HA . 52393 1
169 . 1 . 1 21 21 ARG HB2 H 1 1.815 0.006 . 2 . . 1199 . . 21 ARG HB2 . 52393 1
170 . 1 . 1 21 21 ARG HB3 H 1 1.779 0.0 . 2 . . 1200 . . 21 ARG HB3 . 52393 1
171 . 1 . 1 21 21 ARG HG2 H 1 1.564 0.001 . 2 . . 1203 . . 21 ARG HG2 . 52393 1
172 . 1 . 1 21 21 ARG HG3 H 1 1.650 0.007 . 2 . . 1204 . . 21 ARG HG3 . 52393 1
173 . 1 . 1 21 21 ARG HD2 H 1 3.129 0.002 . 1 . . 1073 . . 21 ARG HD2 . 52393 1
174 . 1 . 1 21 21 ARG HE H 1 7.160 0.003 . 1 . . 1072 . . 21 ARG HE . 52393 1
175 . 1 . 1 21 21 ARG N N 15 121.011 . . 1 . . 1076 . . 21 ARG N . 52393 1
176 . 1 . 1 22 22 GLY H H 1 8.288 0.003 . 1 . . 901 . . 22 GLY H . 52393 1
177 . 1 . 1 22 22 GLY HA2 H 1 3.881 0.013 . 1 . . 1205 . . 22 GLY HA2 . 52393 1
178 . 1 . 1 22 22 GLY N N 15 108.525 . . 1 . . 902 . . 22 GLY N . 52393 1
179 . 1 . 1 23 23 GLU H H 1 8.140 0.003 . 1 . . 849 . . 23 GLU H . 52393 1
180 . 1 . 1 23 23 GLU HA H 1 4.170 0.002 . 1 . . 852 . . 23 GLU HA . 52393 1
181 . 1 . 1 23 23 GLU HB2 H 1 2.035 0.004 . 1 . . 850 . . 23 GLU HB2 . 52393 1
182 . 1 . 1 23 23 GLU HG2 H 1 2.411 0.003 . 1 . . 851 . . 23 GLU HG2 . 52393 1
183 . 1 . 1 23 23 GLU N N 15 120.882 . . 1 . . 907 . . 23 GLU N . 52393 1
184 . 1 . 1 24 24 ASP H H 1 8.429 0.005 . 1 . . 732 . . 24 ASP H . 52393 1
185 . 1 . 1 24 24 ASP HA H 1 4.472 0.006 . 1 . . 731 . . 24 ASP HA . 52393 1
186 . 1 . 1 24 24 ASP HB2 H 1 2.777 0.001 . 1 . . 734 . . 24 ASP HB2 . 52393 1
187 . 1 . 1 24 24 ASP N N 15 120.096 . . 1 . . 733 . . 24 ASP N . 52393 1
188 . 1 . 1 25 25 LEU H H 1 8.012 0.003 . 1 . . 969 . . 25 LEU H . 52393 1
189 . 1 . 1 25 25 LEU HA H 1 4.146 0.0 . 1 . . 972 . . 25 LEU HA . 52393 1
190 . 1 . 1 25 25 LEU HB2 H 1 1.590 0.008 . 1 . . 1018 . . 25 LEU HB2 . 52393 1
191 . 1 . 1 25 25 LEU HD11 H 1 0.796 0.001 . 2 . . 973 . . 25 LEU HD11 . 52393 1
192 . 1 . 1 25 25 LEU HD12 H 1 0.796 0.001 . 2 . . 973 . . 25 LEU HD12 . 52393 1
193 . 1 . 1 25 25 LEU HD13 H 1 0.796 0.001 . 2 . . 973 . . 25 LEU HD13 . 52393 1
194 . 1 . 1 25 25 LEU HD21 H 1 0.846 0.003 . 2 . . 974 . . 25 LEU HD21 . 52393 1
195 . 1 . 1 25 25 LEU HD22 H 1 0.846 0.003 . 2 . . 974 . . 25 LEU HD22 . 52393 1
196 . 1 . 1 25 25 LEU HD23 H 1 0.846 0.003 . 2 . . 974 . . 25 LEU HD23 . 52393 1
197 . 1 . 1 25 25 LEU N N 15 122.974 . . 1 . . 970 . . 25 LEU N . 52393 1
198 . 1 . 1 26 26 LEU H H 1 7.797 0.002 . 1 . . 766 . . 26 LEU H . 52393 1
199 . 1 . 1 26 26 LEU HA H 1 4.100 0.003 . 1 . . 977 . . 26 LEU HA . 52393 1
200 . 1 . 1 26 26 LEU HB2 H 1 1.634 0.003 . 1 . . 978 . . 26 LEU HB2 . 52393 1
201 . 1 . 1 26 26 LEU HG H 1 1.563 0.007 . 1 . . 979 . . 26 LEU HG . 52393 1
202 . 1 . 1 26 26 LEU HD11 H 1 0.849 0.005 . 2 . . 769 . . 26 LEU HD11 . 52393 1
203 . 1 . 1 26 26 LEU HD12 H 1 0.849 0.005 . 2 . . 769 . . 26 LEU HD12 . 52393 1
204 . 1 . 1 26 26 LEU HD13 H 1 0.849 0.005 . 2 . . 769 . . 26 LEU HD13 . 52393 1
205 . 1 . 1 26 26 LEU HD21 H 1 0.809 0.003 . 2 . . 770 . . 26 LEU HD21 . 52393 1
206 . 1 . 1 26 26 LEU HD22 H 1 0.809 0.003 . 2 . . 770 . . 26 LEU HD22 . 52393 1
207 . 1 . 1 26 26 LEU HD23 H 1 0.809 0.003 . 2 . . 770 . . 26 LEU HD23 . 52393 1
208 . 1 . 1 26 26 LEU N N 15 120.719 . . 1 . . 767 . . 26 LEU N . 52393 1
209 . 1 . 1 27 27 LYS H H 1 7.945 0.002 . 1 . . 963 . . 27 LYS H . 52393 1
210 . 1 . 1 27 27 LYS HA H 1 4.018 0.008 . 1 . . 961 . . 27 LYS HA . 52393 1
211 . 1 . 1 27 27 LYS HB2 H 1 1.787 0.001 . 1 . . 964 . . 27 LYS HB2 . 52393 1
212 . 1 . 1 27 27 LYS HG2 H 1 1.375 0.002 . 1 . . 965 . . 27 LYS HG2 . 52393 1
213 . 1 . 1 27 27 LYS HD2 H 1 1.637 0.003 . 1 . . 966 . . 27 LYS HD2 . 52393 1
214 . 1 . 1 27 27 LYS HE2 H 1 2.913 0.001 . 1 . . 962 . . 27 LYS HE2 . 52393 1
215 . 1 . 1 27 27 LYS HZ1 H 1 7.457 0.0 . 1 . . 1201 . . 27 LYS HZ1 . 52393 1
216 . 1 . 1 27 27 LYS HZ2 H 1 7.457 0.0 . 1 . . 1201 . . 27 LYS HZ2 . 52393 1
217 . 1 . 1 27 27 LYS HZ3 H 1 7.457 0.0 . 1 . . 1201 . . 27 LYS HZ3 . 52393 1
218 . 1 . 1 27 27 LYS N N 15 119.666 . . 1 . . 1000 . . 27 LYS N . 52393 1
219 . 1 . 1 28 28 ALA H H 1 7.911 0.004 . 1 . . 988 . . 28 ALA H . 52393 1
220 . 1 . 1 28 28 ALA HA H 1 4.107 0.001 . 1 . . 991 . . 28 ALA HA . 52393 1
221 . 1 . 1 28 28 ALA HB1 H 1 1.412 0.004 . 1 . . 990 . . 28 ALA HB1 . 52393 1
222 . 1 . 1 28 28 ALA HB2 H 1 1.412 0.004 . 1 . . 990 . . 28 ALA HB2 . 52393 1
223 . 1 . 1 28 28 ALA HB3 H 1 1.412 0.004 . 1 . . 990 . . 28 ALA HB3 . 52393 1
224 . 1 . 1 28 28 ALA N N 15 122.134 . . 1 . . 989 . . 28 ALA N . 52393 1
225 . 1 . 1 29 29 GLU H H 1 8.200 0.002 . 1 . . 1012 . . 29 GLU H . 52393 1
226 . 1 . 1 29 29 GLU HA H 1 4.086 0.002 . 1 . . 1014 . . 29 GLU HA . 52393 1
227 . 1 . 1 29 29 GLU HB2 H 1 2.141 0.004 . 2 . . 1016 . . 29 GLU HB2 . 52393 1
228 . 1 . 1 29 29 GLU HB3 H 1 2.053 0.008 . 2 . . 1060 . . 29 GLU HB3 . 52393 1
229 . 1 . 1 29 29 GLU HG2 H 1 2.551 0.006 . 2 . . 1015 . . 29 GLU HG2 . 52393 1
230 . 1 . 1 29 29 GLU HG3 H 1 2.409 0.003 . 2 . . 1059 . . 29 GLU HG3 . 52393 1
231 . 1 . 1 29 29 GLU N N 15 118.813 . . 1 . . 1013 . . 29 GLU N . 52393 1
232 . 1 . 1 30 30 GLU H H 1 8.179 0.004 . 1 . . 1057 . . 30 GLU H . 52393 1
233 . 1 . 1 30 30 GLU HA H 1 4.099 0.001 . 1 . . 1065 . . 30 GLU HA . 52393 1
234 . 1 . 1 30 30 GLU HB2 H 1 2.108 0.002 . 2 . . 1061 . . 30 GLU HB2 . 52393 1
235 . 1 . 1 30 30 GLU HB3 H 1 2.026 0.003 . 2 . . 1062 . . 30 GLU HB3 . 52393 1
236 . 1 . 1 30 30 GLU HG2 H 1 2.543 0.009 . 2 . . 1063 . . 30 GLU HG2 . 52393 1
237 . 1 . 1 30 30 GLU HG3 H 1 2.385 0.001 . 2 . . 1064 . . 30 GLU HG3 . 52393 1
238 . 1 . 1 30 30 GLU N N 15 120.373 . . 1 . . 1058 . . 30 GLU N . 52393 1
239 . 1 . 1 31 31 LEU H H 1 7.983 0.005 . 1 . . 1038 . . 31 LEU H . 52393 1
240 . 1 . 1 31 31 LEU HA H 1 4.094 0.002 . 1 . . 1067 . . 31 LEU HA . 52393 1
241 . 1 . 1 31 31 LEU HB2 H 1 1.652 0.002 . 1 . . 1040 . . 31 LEU HB2 . 52393 1
242 . 1 . 1 31 31 LEU HG H 1 1.554 0.004 . 1 . . 1041 . . 31 LEU HG . 52393 1
243 . 1 . 1 31 31 LEU HD11 H 1 0.784 0.002 . 2 . . 1042 . . 31 LEU HD11 . 52393 1
244 . 1 . 1 31 31 LEU HD12 H 1 0.784 0.002 . 2 . . 1042 . . 31 LEU HD12 . 52393 1
245 . 1 . 1 31 31 LEU HD13 H 1 0.784 0.002 . 2 . . 1042 . . 31 LEU HD13 . 52393 1
246 . 1 . 1 31 31 LEU HD21 H 1 0.816 0.005 . 2 . . 1066 . . 31 LEU HD21 . 52393 1
247 . 1 . 1 31 31 LEU HD22 H 1 0.816 0.005 . 2 . . 1066 . . 31 LEU HD22 . 52393 1
248 . 1 . 1 31 31 LEU HD23 H 1 0.816 0.005 . 2 . . 1066 . . 31 LEU HD23 . 52393 1
249 . 1 . 1 31 31 LEU N N 15 121.438 . . 1 . . 1039 . . 31 LEU N . 52393 1
250 . 1 . 1 32 32 ALA H H 1 7.839 0.001 . 1 . . 967 . . 32 ALA H . 52393 1
251 . 1 . 1 32 32 ALA HA H 1 4.129 0.004 . 1 . . 968 . . 32 ALA HA . 52393 1
252 . 1 . 1 32 32 ALA HB1 H 1 1.384 0.004 . 1 . . 1019 . . 32 ALA HB1 . 52393 1
253 . 1 . 1 32 32 ALA HB2 H 1 1.384 0.004 . 1 . . 1019 . . 32 ALA HB2 . 52393 1
254 . 1 . 1 32 32 ALA HB3 H 1 1.384 0.004 . 1 . . 1019 . . 32 ALA HB3 . 52393 1
255 . 1 . 1 32 32 ALA N N 15 121.942 . . 1 . . 1017 . . 32 ALA N . 52393 1
256 . 1 . 1 33 33 ALA H H 1 7.805 0.003 . 1 . . 1054 . . 33 ALA H . 52393 1
257 . 1 . 1 33 33 ALA HA H 1 4.098 0.001 . 1 . . 1056 . . 33 ALA HA . 52393 1
258 . 1 . 1 33 33 ALA HB1 H 1 1.357 0.002 . 1 . . 768 . . 33 ALA HB1 . 52393 1
259 . 1 . 1 33 33 ALA HB2 H 1 1.357 0.002 . 1 . . 768 . . 33 ALA HB2 . 52393 1
260 . 1 . 1 33 33 ALA HB3 H 1 1.357 0.002 . 1 . . 768 . . 33 ALA HB3 . 52393 1
261 . 1 . 1 33 33 ALA N N 15 120.843 . . 1 . . 1055 . . 33 ALA N . 52393 1
262 . 1 . 1 34 34 LYS H H 1 7.781 0.008 . 1 . . 759 . . 34 LYS H . 52393 1
263 . 1 . 1 34 34 LYS HA H 1 4.061 0.002 . 1 . . 765 . . 34 LYS HA . 52393 1
264 . 1 . 1 34 34 LYS HB2 H 1 1.663 0.001 . 2 . . 762 . . 34 LYS HB2 . 52393 1
265 . 1 . 1 34 34 LYS HB3 H 1 1.640 0.003 . 2 . . 1197 . . 34 LYS HB3 . 52393 1
266 . 1 . 1 34 34 LYS HG2 H 1 1.262 0.004 . 2 . . 751 . . 34 LYS HG2 . 52393 1
267 . 1 . 1 34 34 LYS HG3 H 1 1.152 0.008 . 2 . . 761 . . 34 LYS HG3 . 52393 1
268 . 1 . 1 34 34 LYS HD2 H 1 1.530 0.001 . 2 . . 763 . . 34 LYS HD2 . 52393 1
269 . 1 . 1 34 34 LYS HD3 H 1 1.556 0.001 . 2 . . 1198 . . 34 LYS HD3 . 52393 1
270 . 1 . 1 34 34 LYS HE2 H 1 2.855 0.004 . 1 . . 764 . . 34 LYS HE2 . 52393 1
271 . 1 . 1 34 34 LYS N N 15 118.833 . . 1 . . 760 . . 34 LYS N . 52393 1
272 . 1 . 1 35 35 TYR H H 1 7.834 0.001 . 1 . . 896 . . 35 TYR H . 52393 1
273 . 1 . 1 35 35 TYR HA H 1 4.455 0.004 . 1 . . 897 . . 35 TYR HA . 52393 1
274 . 1 . 1 35 35 TYR HB2 H 1 2.900 0.003 . 2 . . 940 . . 35 TYR HB2 . 52393 1
275 . 1 . 1 35 35 TYR HB3 H 1 3.023 0.009 . 2 . . 941 . . 35 TYR HB3 . 52393 1
276 . 1 . 1 35 35 TYR HD1 H 1 6.729 0.003 . 1 . . 909 . . 35 TYR HD1 . 52393 1
277 . 1 . 1 35 35 TYR HD2 H 1 6.729 0.003 . 1 . . 909 . . 35 TYR HD2 . 52393 1
278 . 1 . 1 35 35 TYR HE1 H 1 7.060 0.003 . 1 . . 910 . . 35 TYR HE1 . 52393 1
279 . 1 . 1 35 35 TYR HE2 H 1 7.060 0.003 . 1 . . 910 . . 35 TYR HE2 . 52393 1
280 . 1 . 1 35 35 TYR N N 15 122.161 . . 1 . . 908 . . 35 TYR N . 52393 1
281 . 1 . 1 36 36 ARG H H 1 7.830 0.001 . 1 . . 947 . . 36 ARG H . 52393 1
282 . 1 . 1 36 36 ARG HA H 1 4.163 0.001 . 1 . . 949 . . 36 ARG HA . 52393 1
283 . 1 . 1 36 36 ARG HB2 H 1 1.735 0.0 . 2 . . 953 . . 36 ARG HB2 . 52393 1
284 . 1 . 1 36 36 ARG HB3 H 1 1.693 0.0 . 2 . . 954 . . 36 ARG HB3 . 52393 1
285 . 1 . 1 36 36 ARG HG2 H 1 1.574 0.0 . 2 . . 951 . . 36 ARG HG2 . 52393 1
286 . 1 . 1 36 36 ARG HG3 H 1 1.506 0.0 . 2 . . 952 . . 36 ARG HG3 . 52393 1
287 . 1 . 1 36 36 ARG HD2 H 1 3.113 0.004 . 1 . . 955 . . 36 ARG HD2 . 52393 1
288 . 1 . 1 36 36 ARG HE H 1 7.108 0.001 . 1 . . 956 . . 36 ARG HE . 52393 1
289 . 1 . 1 36 36 ARG N N 15 119.423 . . 1 . . 950 . . 36 ARG N . 52393 1
290 . 1 . 1 37 37 ALA H H 1 8.104 0.006 . 1 . . 825 . . 37 ALA H . 52393 1
291 . 1 . 1 37 37 ALA HA H 1 4.271 0.0 . 1 . . 826 . . 37 ALA HA . 52393 1
292 . 1 . 1 37 37 ALA HB1 H 1 1.361 0.004 . 1 . . 827 . . 37 ALA HB1 . 52393 1
293 . 1 . 1 37 37 ALA HB2 H 1 1.361 0.004 . 1 . . 827 . . 37 ALA HB2 . 52393 1
294 . 1 . 1 37 37 ALA HB3 H 1 1.361 0.004 . 1 . . 827 . . 37 ALA HB3 . 52393 1
295 . 1 . 1 37 37 ALA N N 15 124.775 . . 1 . . 828 . . 37 ALA N . 52393 1
296 . 1 . 1 38 38 THR H H 1 8.013 0.002 . 1 . . 808 . . 38 THR H . 52393 1
297 . 1 . 1 38 38 THR HA H 1 4.265 0.002 . 1 . . 811 . . 38 THR HA . 52393 1
298 . 1 . 1 38 38 THR HB H 1 4.188 0.004 . 1 . . 812 . . 38 THR HB . 52393 1
299 . 1 . 1 38 38 THR HG1 H 1 5.254 0.003 . 1 . . 1023 . . 38 THR HG1 . 52393 1
300 . 1 . 1 38 38 THR HG21 H 1 1.150 0.006 . 1 . . 810 . . 38 THR HG21 . 52393 1
301 . 1 . 1 38 38 THR HG22 H 1 1.150 0.006 . 1 . . 810 . . 38 THR HG22 . 52393 1
302 . 1 . 1 38 38 THR HG23 H 1 1.150 0.006 . 1 . . 810 . . 38 THR HG23 . 52393 1
303 . 1 . 1 38 38 THR N N 15 112.618 . . 1 . . 809 . . 38 THR N . 52393 1
304 . 1 . 1 39 39 GLY H H 1 8.274 0.006 . 1 . . 774 . . 39 GLY H . 52393 1
305 . 1 . 1 39 39 GLY HA2 H 1 3.940 0.005 . 1 . . 776 . . 39 GLY HA2 . 52393 1
306 . 1 . 1 39 39 GLY N N 15 110.993 . . 1 . . 775 . . 39 GLY N . 52393 1
307 . 1 . 1 40 40 THR H H 1 7.970 0.002 . 1 . . 803 . . 40 THR H . 52393 1
308 . 1 . 1 40 40 THR HA H 1 4.248 0.002 . 1 . . 806 . . 40 THR HA . 52393 1
309 . 1 . 1 40 40 THR HB H 1 4.085 0.004 . 1 . . 807 . . 40 THR HB . 52393 1
310 . 1 . 1 40 40 THR HG1 H 1 5.179 0.003 . 1 . . 1020 . . 40 THR HG1 . 52393 1
311 . 1 . 1 40 40 THR HG21 H 1 1.103 0.002 . 1 . . 805 . . 40 THR HG21 . 52393 1
312 . 1 . 1 40 40 THR HG22 H 1 1.103 0.002 . 1 . . 805 . . 40 THR HG22 . 52393 1
313 . 1 . 1 40 40 THR HG23 H 1 1.103 0.002 . 1 . . 805 . . 40 THR HG23 . 52393 1
314 . 1 . 1 40 40 THR N N 15 113.671 . . 1 . . 804 . . 40 THR N . 52393 1
315 . 1 . 1 41 41 ALA H H 1 8.255 0.003 . 1 . . 898 . . 41 ALA H . 52393 1
316 . 1 . 1 41 41 ALA HA H 1 4.491 0.004 . 1 . . 813 . . 41 ALA HA . 52393 1
317 . 1 . 1 41 41 ALA HB1 H 1 1.272 0.005 . 1 . . 814 . . 41 ALA HB1 . 52393 1
318 . 1 . 1 41 41 ALA HB2 H 1 1.272 0.005 . 1 . . 814 . . 41 ALA HB2 . 52393 1
319 . 1 . 1 41 41 ALA HB3 H 1 1.272 0.005 . 1 . . 814 . . 41 ALA HB3 . 52393 1
320 . 1 . 1 41 41 ALA N N 15 128.096 . . 1 . . 899 . . 41 ALA N . 52393 1
321 . 1 . 1 42 42 PRO HA H 1 4.315 0.008 . 1 . . 797 . . 42 PRO HA . 52393 1
322 . 1 . 1 42 42 PRO HB2 H 1 2.204 0.009 . 2 . . 792 . . 42 PRO HB2 . 52393 1
323 . 1 . 1 42 42 PRO HB3 H 1 1.791 0.003 . 2 . . 796 . . 42 PRO HB3 . 52393 1
324 . 1 . 1 42 42 PRO HG2 H 1 1.926 0.006 . 1 . . 795 . . 42 PRO HG2 . 52393 1
325 . 1 . 1 42 42 PRO HD2 H 1 3.703 0.01 . 2 . . 793 . . 42 PRO HD2 . 52393 1
326 . 1 . 1 42 42 PRO HD3 H 1 3.539 0.001 . 2 . . 794 . . 42 PRO HD3 . 52393 1
327 . 1 . 1 43 43 LYS H H 1 8.254 0.002 . 1 . . 838 . . 43 LYS H . 52393 1
328 . 1 . 1 43 43 LYS HA H 1 4.165 0.0 . 1 . . 837 . . 43 LYS HA . 52393 1
329 . 1 . 1 43 43 LYS HB2 H 1 1.701 0.002 . 2 . . 1034 . . 43 LYS HB2 . 52393 1
330 . 1 . 1 43 43 LYS HB3 H 1 1.659 0.002 . 2 . . 1035 . . 43 LYS HB3 . 52393 1
331 . 1 . 1 43 43 LYS HG2 H 1 1.371 0.004 . 1 . . 1196 . . 43 LYS HG2 . 52393 1
332 . 1 . 1 43 43 LYS HD2 H 1 1.591 0.001 . 1 . . 1033 . . 43 LYS HD2 . 52393 1
333 . 1 . 1 43 43 LYS HE2 H 1 2.910 0.0 . 1 . . 840 . . 43 LYS HE2 . 52393 1
334 . 1 . 1 43 43 LYS HZ1 H 1 7.452 0.001 . 1 . . 839 . . 43 LYS HZ1 . 52393 1
335 . 1 . 1 43 43 LYS HZ2 H 1 7.452 0.001 . 1 . . 839 . . 43 LYS HZ2 . 52393 1
336 . 1 . 1 43 43 LYS HZ3 H 1 7.452 0.001 . 1 . . 839 . . 43 LYS HZ3 . 52393 1
337 . 1 . 1 43 43 LYS N N 15 121.638 . . 1 . . 938 . . 43 LYS N . 52393 1
338 . 1 . 1 44 44 LYS H H 1 8.220 0.004 . 1 . . 831 . . 44 LYS H . 52393 1
339 . 1 . 1 44 44 LYS HA H 1 4.209 0.002 . 1 . . 830 . . 44 LYS HA . 52393 1
340 . 1 . 1 44 44 LYS HB2 H 1 1.656 0.001 . 1 . . 834 . . 44 LYS HB2 . 52393 1
341 . 1 . 1 44 44 LYS HG2 H 1 1.253 0.01 . 2 . . 833 . . 44 LYS HG2 . 52393 1
342 . 1 . 1 44 44 LYS HG3 H 1 1.327 0.004 . 2 . . 836 . . 44 LYS HG3 . 52393 1
343 . 1 . 1 44 44 LYS HD2 H 1 1.583 0.001 . 1 . . 835 . . 44 LYS HD2 . 52393 1
344 . 1 . 1 44 44 LYS HE2 H 1 2.883 0.003 . 1 . . 832 . . 44 LYS HE2 . 52393 1
345 . 1 . 1 44 44 LYS HZ1 H 1 7.460 0.007 . 1 . . 829 . . 44 LYS HZ1 . 52393 1
346 . 1 . 1 44 44 LYS HZ2 H 1 7.460 0.007 . 1 . . 829 . . 44 LYS HZ2 . 52393 1
347 . 1 . 1 44 44 LYS HZ3 H 1 7.460 0.007 . 1 . . 829 . . 44 LYS HZ3 . 52393 1
348 . 1 . 1 44 44 LYS N N 15 123.117 . . 1 . . 1046 . . 44 LYS N . 52393 1
349 . 1 . 1 45 45 ILE H H 1 8.158 0.006 . 1 . . 842 . . 45 ILE H . 52393 1
350 . 1 . 1 45 45 ILE HA H 1 4.074 0.004 . 1 . . 848 . . 45 ILE HA . 52393 1
351 . 1 . 1 45 45 ILE HB H 1 1.750 0.004 . 1 . . 846 . . 45 ILE HB . 52393 1
352 . 1 . 1 45 45 ILE HG12 H 1 1.077 0.004 . 2 . . 844 . . 45 ILE HG12 . 52393 1
353 . 1 . 1 45 45 ILE HG13 H 1 1.379 0.002 . 2 . . 845 . . 45 ILE HG13 . 52393 1
354 . 1 . 1 45 45 ILE HG21 H 1 0.804 0.001 . 1 . . 843 . . 45 ILE HG21 . 52393 1
355 . 1 . 1 45 45 ILE HG22 H 1 0.804 0.001 . 1 . . 843 . . 45 ILE HG22 . 52393 1
356 . 1 . 1 45 45 ILE HG23 H 1 0.804 0.001 . 1 . . 843 . . 45 ILE HG23 . 52393 1
357 . 1 . 1 45 45 ILE HD11 H 1 0.751 0.003 . 1 . . 841 . . 45 ILE HD11 . 52393 1
358 . 1 . 1 45 45 ILE HD12 H 1 0.751 0.003 . 1 . . 841 . . 45 ILE HD12 . 52393 1
359 . 1 . 1 45 45 ILE HD13 H 1 0.751 0.003 . 1 . . 841 . . 45 ILE HD13 . 52393 1
360 . 1 . 1 45 45 ILE N N 15 123.393 . . 1 . . 975 . . 45 ILE N . 52393 1
361 . 1 . 1 46 46 LEU H H 1 8.267 0.004 . 1 . . 818 . . 46 LEU H . 52393 1
362 . 1 . 1 46 46 LEU HA H 1 4.290 0.004 . 1 . . 820 . . 46 LEU HA . 52393 1
363 . 1 . 1 46 46 LEU HB2 H 1 1.569 0.004 . 1 . . 823 . . 46 LEU HB2 . 52393 1
364 . 1 . 1 46 46 LEU HG H 1 1.517 0.002 . 1 . . 824 . . 46 LEU HG . 52393 1
365 . 1 . 1 46 46 LEU HD11 H 1 0.790 0.001 . 2 . . 821 . . 46 LEU HD11 . 52393 1
366 . 1 . 1 46 46 LEU HD12 H 1 0.790 0.001 . 2 . . 821 . . 46 LEU HD12 . 52393 1
367 . 1 . 1 46 46 LEU HD13 H 1 0.790 0.001 . 2 . . 821 . . 46 LEU HD13 . 52393 1
368 . 1 . 1 46 46 LEU HD21 H 1 0.851 0.007 . 2 . . 822 . . 46 LEU HD21 . 52393 1
369 . 1 . 1 46 46 LEU HD22 H 1 0.851 0.007 . 2 . . 822 . . 46 LEU HD22 . 52393 1
370 . 1 . 1 46 46 LEU HD23 H 1 0.851 0.007 . 2 . . 822 . . 46 LEU HD23 . 52393 1
371 . 1 . 1 46 46 LEU N N 15 126.688 . . 1 . . 819 . . 46 LEU N . 52393 1
372 . 1 . 1 47 47 GLY H H 1 8.202 0.001 . 1 . . 771 . . 47 GLY H . 52393 1
373 . 1 . 1 47 47 GLY HA2 H 1 3.809 0.015 . 1 . . 772 . . 47 GLY HA2 . 52393 1
374 . 1 . 1 47 47 GLY N N 15 109.450 . . 1 . . 773 . . 47 GLY N . 52393 1
375 . 1 . 1 48 48 ILE H H 1 7.662 0.003 . 1 . . 752 . . 48 ILE H . 52393 1
376 . 1 . 1 48 48 ILE HA H 1 4.057 0.007 . 1 . . 758 . . 48 ILE HA . 52393 1
377 . 1 . 1 48 48 ILE HB H 1 1.678 0.001 . 1 . . 754 . . 48 ILE HB . 52393 1
378 . 1 . 1 48 48 ILE HG12 H 1 1.215 0.003 . 1 . . 755 . . 48 ILE HG12 . 52393 1
379 . 1 . 1 48 48 ILE HG21 H 1 0.972 0.006 . 1 . . 756 . . 48 ILE HG21 . 52393 1
380 . 1 . 1 48 48 ILE HG22 H 1 0.972 0.006 . 1 . . 756 . . 48 ILE HG22 . 52393 1
381 . 1 . 1 48 48 ILE HG23 H 1 0.972 0.006 . 1 . . 756 . . 48 ILE HG23 . 52393 1
382 . 1 . 1 48 48 ILE HD11 H 1 0.723 0.008 . 1 . . 757 . . 48 ILE HD11 . 52393 1
383 . 1 . 1 48 48 ILE HD12 H 1 0.723 0.008 . 1 . . 757 . . 48 ILE HD12 . 52393 1
384 . 1 . 1 48 48 ILE HD13 H 1 0.723 0.008 . 1 . . 757 . . 48 ILE HD13 . 52393 1
385 . 1 . 1 48 48 ILE N N 15 119.291 . . 1 . . 753 . . 48 ILE N . 52393 1
386 . 1 . 1 49 49 PHE H H 1 8.114 0.008 . 1 . . 777 . . 49 PHE H . 52393 1
387 . 1 . 1 49 49 PHE HA H 1 4.537 0.003 . 1 . . 781 . . 49 PHE HA . 52393 1
388 . 1 . 1 49 49 PHE HB2 H 1 3.134 0.003 . 2 . . 780 . . 49 PHE HB2 . 52393 1
389 . 1 . 1 49 49 PHE HB3 H 1 2.911 0.0 . 2 . . 782 . . 49 PHE HB3 . 52393 1
390 . 1 . 1 49 49 PHE HD1 H 1 7.170 0.006 . 1 . . 779 . . 49 PHE HD1 . 52393 1
391 . 1 . 1 49 49 PHE HD2 H 1 7.170 0.006 . 1 . . 779 . . 49 PHE HD2 . 52393 1
392 . 1 . 1 49 49 PHE HE1 H 1 7.205 0.001 . 1 . . 784 . . 49 PHE HE1 . 52393 1
393 . 1 . 1 49 49 PHE HE2 H 1 7.205 0.001 . 1 . . 784 . . 49 PHE HE2 . 52393 1
394 . 1 . 1 49 49 PHE HZ H 1 7.242 0.006 . 1 . . 783 . . 49 PHE HZ . 52393 1
395 . 1 . 1 49 49 PHE N N 15 125.861 . . 1 . . 778 . . 49 PHE N . 52393 1
stop_
save_