###################################
# 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 50945
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name NDM-1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_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
3 '3D HNCACB' . . . 50945 1
4 '3D HN(CO)CACB' . . . 50945 1
5 '3D HNCO' . . . 50945 1
6 '3D HN(CA)CO' . . . 50945 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 . . 50945 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 . 2 . 1 3 3 GLN C C 13 175.079 0.000 . 1 . . . . . 38 GLN C . 50945 1
2 . 2 . 1 3 3 GLN CB C 13 28.712 0.000 . 1 . . . . . 38 GLN CB . 50945 1
3 . 2 . 1 4 4 MET H H 1 8.323 0.000 . 1 . . . . . 39 MET H . 50945 1
4 . 2 . 1 4 4 MET C C 13 175.432 0.021 . 1 . . . . . 39 MET C . 50945 1
5 . 2 . 1 4 4 MET CA C 13 54.922 0.026 . 1 . . . . . 39 MET CA . 50945 1
6 . 2 . 1 4 4 MET CB C 13 32.664 0.065 . 1 . . . . . 39 MET CB . 50945 1
7 . 2 . 1 4 4 MET N N 15 122.190 0.000 . 1 . . . . . 39 MET N . 50945 1
8 . 2 . 1 5 5 GLU H H 1 8.513 0.000 . 1 . . . . . 40 GLU H . 50945 1
9 . 2 . 1 5 5 GLU C C 13 176.170 0.021 . 1 . . . . . 40 GLU C . 50945 1
10 . 2 . 1 5 5 GLU CA C 13 55.834 0.099 . 1 . . . . . 40 GLU CA . 50945 1
11 . 2 . 1 5 5 GLU CB C 13 29.790 0.035 . 1 . . . . . 40 GLU CB . 50945 1
12 . 2 . 1 5 5 GLU N N 15 123.093 0.000 . 1 . . . . . 40 GLU N . 50945 1
13 . 2 . 1 6 6 THR H H 1 8.144 0.000 . 1 . . . . . 41 THR H . 50945 1
14 . 2 . 1 6 6 THR C C 13 174.482 0.004 . 1 . . . . . 41 THR C . 50945 1
15 . 2 . 1 6 6 THR CA C 13 61.768 0.030 . 1 . . . . . 41 THR CA . 50945 1
16 . 2 . 1 6 6 THR CB C 13 69.153 0.020 . 1 . . . . . 41 THR CB . 50945 1
17 . 2 . 1 6 6 THR N N 15 114.976 0.000 . 1 . . . . . 41 THR N . 50945 1
18 . 2 . 1 7 7 GLY H H 1 8.328 0.000 . 1 . . . . . 42 GLY H . 50945 1
19 . 2 . 1 7 7 GLY C C 13 173.112 0.011 . 1 . . . . . 42 GLY C . 50945 1
20 . 2 . 1 7 7 GLY CA C 13 44.401 0.006 . 1 . . . . . 42 GLY CA . 50945 1
21 . 2 . 1 7 7 GLY N N 15 111.141 0.000 . 1 . . . . . 42 GLY N . 50945 1
22 . 2 . 1 8 8 ASP H H 1 8.054 0.000 . 1 . . . . . 43 ASP H . 50945 1
23 . 2 . 1 8 8 ASP C C 13 175.530 0.003 . 1 . . . . . 43 ASP C . 50945 1
24 . 2 . 1 8 8 ASP CA C 13 54.294 0.005 . 1 . . . . . 43 ASP CA . 50945 1
25 . 2 . 1 8 8 ASP CB C 13 40.966 0.011 . 1 . . . . . 43 ASP CB . 50945 1
26 . 2 . 1 8 8 ASP N N 15 121.597 0.000 . 1 . . . . . 43 ASP N . 50945 1
27 . 2 . 1 9 9 GLN H H 1 9.051 0.000 . 1 . . . . . 44 GLN H . 50945 1
28 . 2 . 1 9 9 GLN C C 13 174.268 0.002 . 1 . . . . . 44 GLN C . 50945 1
29 . 2 . 1 9 9 GLN CA C 13 54.269 0.019 . 1 . . . . . 44 GLN CA . 50945 1
30 . 2 . 1 9 9 GLN CB C 13 30.396 0.037 . 1 . . . . . 44 GLN CB . 50945 1
31 . 2 . 1 9 9 GLN N N 15 122.445 0.000 . 1 . . . . . 44 GLN N . 50945 1
32 . 2 . 1 10 10 ARG H H 1 8.676 0.000 . 1 . . . . . 45 ARG H . 50945 1
33 . 2 . 1 10 10 ARG C C 13 175.464 0.005 . 1 . . . . . 45 ARG C . 50945 1
34 . 2 . 1 10 10 ARG CA C 13 55.166 0.029 . 1 . . . . . 45 ARG CA . 50945 1
35 . 2 . 1 10 10 ARG CB C 13 30.536 0.001 . 1 . . . . . 45 ARG CB . 50945 1
36 . 2 . 1 10 10 ARG N N 15 125.276 0.000 . 1 . . . . . 45 ARG N . 50945 1
37 . 2 . 1 11 11 PHE H H 1 8.592 0.000 . 1 . . . . . 46 PHE H . 50945 1
38 . 2 . 1 11 11 PHE C C 13 173.808 0.001 . 1 . . . . . 46 PHE C . 50945 1
39 . 2 . 1 11 11 PHE CA C 13 57.036 0.006 . 1 . . . . . 46 PHE CA . 50945 1
40 . 2 . 1 11 11 PHE CB C 13 40.921 0.053 . 1 . . . . . 46 PHE CB . 50945 1
41 . 2 . 1 11 11 PHE N N 15 128.013 0.000 . 1 . . . . . 46 PHE N . 50945 1
42 . 2 . 1 12 12 GLY H H 1 8.508 0.000 . 1 . . . . . 47 GLY H . 50945 1
43 . 2 . 1 12 12 GLY C C 13 174.501 0.000 . 1 . . . . . 47 GLY C . 50945 1
44 . 2 . 1 12 12 GLY CA C 13 46.354 0.021 . 1 . . . . . 47 GLY CA . 50945 1
45 . 2 . 1 12 12 GLY N N 15 116.444 0.000 . 1 . . . . . 47 GLY N . 50945 1
46 . 2 . 1 13 13 ASP H H 1 9.153 0.000 . 1 . . . . . 48 ASP H . 50945 1
47 . 2 . 1 13 13 ASP C C 13 174.801 0.003 . 1 . . . . . 48 ASP C . 50945 1
48 . 2 . 1 13 13 ASP CA C 13 54.299 0.004 . 1 . . . . . 48 ASP CA . 50945 1
49 . 2 . 1 13 13 ASP CB C 13 40.882 0.048 . 1 . . . . . 48 ASP CB . 50945 1
50 . 2 . 1 13 13 ASP N N 15 127.053 0.000 . 1 . . . . . 48 ASP N . 50945 1
51 . 2 . 1 14 14 LEU H H 1 8.339 0.000 . 1 . . . . . 49 LEU H . 50945 1
52 . 2 . 1 14 14 LEU C C 13 175.926 0.012 . 1 . . . . . 49 LEU C . 50945 1
53 . 2 . 1 14 14 LEU CA C 13 53.780 0.007 . 1 . . . . . 49 LEU CA . 50945 1
54 . 2 . 1 14 14 LEU CB C 13 45.186 0.013 . 1 . . . . . 49 LEU CB . 50945 1
55 . 2 . 1 14 14 LEU N N 15 124.172 0.000 . 1 . . . . . 49 LEU N . 50945 1
56 . 2 . 1 15 15 VAL H H 1 8.001 0.000 . 1 . . . . . 50 VAL H . 50945 1
57 . 2 . 1 15 15 VAL C C 13 172.744 0.014 . 1 . . . . . 50 VAL C . 50945 1
58 . 2 . 1 15 15 VAL CA C 13 60.448 0.008 . 1 . . . . . 50 VAL CA . 50945 1
59 . 2 . 1 15 15 VAL CB C 13 34.935 0.042 . 1 . . . . . 50 VAL CB . 50945 1
60 . 2 . 1 15 15 VAL N N 15 119.449 0.000 . 1 . . . . . 50 VAL N . 50945 1
61 . 2 . 1 16 16 PHE H H 1 8.739 0.000 . 1 . . . . . 51 PHE H . 50945 1
62 . 2 . 1 16 16 PHE C C 13 174.494 0.001 . 1 . . . . . 51 PHE C . 50945 1
63 . 2 . 1 16 16 PHE CA C 13 55.638 0.010 . 1 . . . . . 51 PHE CA . 50945 1
64 . 2 . 1 16 16 PHE CB C 13 42.488 0.047 . 1 . . . . . 51 PHE CB . 50945 1
65 . 2 . 1 16 16 PHE N N 15 123.274 0.000 . 1 . . . . . 51 PHE N . 50945 1
66 . 2 . 1 17 17 ARG H H 1 8.460 0.000 . 1 . . . . . 52 ARG H . 50945 1
67 . 2 . 1 17 17 ARG C C 13 174.296 0.017 . 1 . . . . . 52 ARG C . 50945 1
68 . 2 . 1 17 17 ARG CA C 13 54.086 0.019 . 1 . . . . . 52 ARG CA . 50945 1
69 . 2 . 1 17 17 ARG CB C 13 34.277 0.009 . 1 . . . . . 52 ARG CB . 50945 1
70 . 2 . 1 17 17 ARG N N 15 121.234 0.000 . 1 . . . . . 52 ARG N . 50945 1
71 . 2 . 1 18 18 GLN H H 1 9.492 0.000 . 1 . . . . . 53 GLN H . 50945 1
72 . 2 . 1 18 18 GLN C C 13 174.469 0.025 . 1 . . . . . 53 GLN C . 50945 1
73 . 2 . 1 18 18 GLN CA C 13 56.978 0.013 . 1 . . . . . 53 GLN CA . 50945 1
74 . 2 . 1 18 18 GLN CB C 13 27.598 0.019 . 1 . . . . . 53 GLN CB . 50945 1
75 . 2 . 1 18 18 GLN N N 15 130.695 0.000 . 1 . . . . . 53 GLN N . 50945 1
76 . 2 . 1 19 19 LEU H H 1 8.724 0.000 . 1 . . . . . 54 LEU H . 50945 1
77 . 2 . 1 19 19 LEU C C 13 174.832 0.004 . 1 . . . . . 54 LEU C . 50945 1
78 . 2 . 1 19 19 LEU CA C 13 54.414 0.021 . 1 . . . . . 54 LEU CA . 50945 1
79 . 2 . 1 19 19 LEU CB C 13 43.528 0.050 . 1 . . . . . 54 LEU CB . 50945 1
80 . 2 . 1 19 19 LEU N N 15 127.946 0.000 . 1 . . . . . 54 LEU N . 50945 1
81 . 2 . 1 20 20 ALA H H 1 8.228 0.000 . 1 . . . . . 55 ALA H . 50945 1
82 . 2 . 1 20 20 ALA C C 13 173.725 0.000 . 1 . . . . . 55 ALA C . 50945 1
83 . 2 . 1 20 20 ALA CA C 13 49.588 0.000 . 1 . . . . . 55 ALA CA . 50945 1
84 . 2 . 1 20 20 ALA CB C 13 18.338 0.000 . 1 . . . . . 55 ALA CB . 50945 1
85 . 2 . 1 20 20 ALA N N 15 121.835 0.000 . 1 . . . . . 55 ALA N . 50945 1
86 . 2 . 1 21 21 PRO C C 13 175.003 0.000 . 1 . . . . . 56 PRO C . 50945 1
87 . 2 . 1 21 21 PRO CA C 13 65.560 0.000 . 1 . . . . . 56 PRO CA . 50945 1
88 . 2 . 1 21 21 PRO CB C 13 30.768 0.000 . 1 . . . . . 56 PRO CB . 50945 1
89 . 2 . 1 22 22 ASN H H 1 7.884 0.000 . 1 . . . . . 57 ASN H . 50945 1
90 . 2 . 1 22 22 ASN C C 13 173.136 0.025 . 1 . . . . . 57 ASN C . 50945 1
91 . 2 . 1 22 22 ASN CA C 13 52.180 0.010 . 1 . . . . . 57 ASN CA . 50945 1
92 . 2 . 1 22 22 ASN CB C 13 38.914 0.010 . 1 . . . . . 57 ASN CB . 50945 1
93 . 2 . 1 22 22 ASN N N 15 109.406 0.000 . 1 . . . . . 57 ASN N . 50945 1
94 . 2 . 1 23 23 VAL H H 1 7.008 0.000 . 1 . . . . . 58 VAL H . 50945 1
95 . 2 . 1 23 23 VAL C C 13 173.114 0.003 . 1 . . . . . 58 VAL C . 50945 1
96 . 2 . 1 23 23 VAL CA C 13 61.213 0.002 . 1 . . . . . 58 VAL CA . 50945 1
97 . 2 . 1 23 23 VAL CB C 13 35.202 0.019 . 1 . . . . . 58 VAL CB . 50945 1
98 . 2 . 1 23 23 VAL N N 15 116.496 0.000 . 1 . . . . . 58 VAL N . 50945 1
99 . 2 . 1 24 24 TRP H H 1 9.881 0.000 . 1 . . . . . 59 TRP H . 50945 1
100 . 2 . 1 24 24 TRP C C 13 172.840 0.010 . 1 . . . . . 59 TRP C . 50945 1
101 . 2 . 1 24 24 TRP CA C 13 56.597 0.014 . 1 . . . . . 59 TRP CA . 50945 1
102 . 2 . 1 24 24 TRP CB C 13 33.513 0.036 . 1 . . . . . 59 TRP CB . 50945 1
103 . 2 . 1 24 24 TRP N N 15 128.535 0.000 . 1 . . . . . 59 TRP N . 50945 1
104 . 2 . 1 25 25 GLN H H 1 9.610 0.000 . 1 . . . . . 60 GLN H . 50945 1
105 . 2 . 1 25 25 GLN C C 13 175.473 0.007 . 1 . . . . . 60 GLN C . 50945 1
106 . 2 . 1 25 25 GLN CA C 13 53.429 0.028 . 1 . . . . . 60 GLN CA . 50945 1
107 . 2 . 1 25 25 GLN CB C 13 34.173 0.003 . 1 . . . . . 60 GLN CB . 50945 1
108 . 2 . 1 25 25 GLN N N 15 123.104 0.000 . 1 . . . . . 60 GLN N . 50945 1
109 . 2 . 1 26 26 HIS H H 1 8.024 0.000 . 1 . . . . . 61 HIS H . 50945 1
110 . 2 . 1 26 26 HIS C C 13 172.904 0.007 . 1 . . . . . 61 HIS C . 50945 1
111 . 2 . 1 26 26 HIS CA C 13 52.824 0.013 . 1 . . . . . 61 HIS CA . 50945 1
112 . 2 . 1 26 26 HIS CB C 13 34.681 0.025 . 1 . . . . . 61 HIS CB . 50945 1
113 . 2 . 1 26 26 HIS N N 15 127.649 0.000 . 1 . . . . . 61 HIS N . 50945 1
114 . 2 . 1 27 27 THR H H 1 8.463 0.000 . 1 . . . . . 62 THR H . 50945 1
115 . 2 . 1 27 27 THR C C 13 171.077 0.099 . 1 . . . . . 62 THR C . 50945 1
116 . 2 . 1 27 27 THR CA C 13 61.455 0.022 . 1 . . . . . 62 THR CA . 50945 1
117 . 2 . 1 27 27 THR CB C 13 71.027 0.092 . 1 . . . . . 62 THR CB . 50945 1
118 . 2 . 1 27 27 THR N N 15 118.506 0.000 . 1 . . . . . 62 THR N . 50945 1
119 . 2 . 1 28 28 SER H H 1 8.432 0.000 . 1 . . . . . 63 SER H . 50945 1
120 . 2 . 1 28 28 SER C C 13 173.040 0.019 . 1 . . . . . 63 SER C . 50945 1
121 . 2 . 1 28 28 SER CA C 13 55.555 0.033 . 1 . . . . . 63 SER CA . 50945 1
122 . 2 . 1 28 28 SER CB C 13 66.655 0.010 . 1 . . . . . 63 SER CB . 50945 1
123 . 2 . 1 28 28 SER N N 15 119.071 0.000 . 1 . . . . . 63 SER N . 50945 1
124 . 2 . 1 29 29 TYR H H 1 9.032 0.000 . 1 . . . . . 64 TYR H . 50945 1
125 . 2 . 1 29 29 TYR C C 13 174.270 0.010 . 1 . . . . . 64 TYR C . 50945 1
126 . 2 . 1 29 29 TYR CA C 13 56.919 0.014 . 1 . . . . . 64 TYR CA . 50945 1
127 . 2 . 1 29 29 TYR CB C 13 41.977 0.013 . 1 . . . . . 64 TYR CB . 50945 1
128 . 2 . 1 29 29 TYR N N 15 118.994 0.000 . 1 . . . . . 64 TYR N . 50945 1
129 . 2 . 1 30 30 LEU H H 1 7.785 0.000 . 1 . . . . . 65 LEU H . 50945 1
130 . 2 . 1 30 30 LEU C C 13 174.632 0.016 . 1 . . . . . 65 LEU C . 50945 1
131 . 2 . 1 30 30 LEU CA C 13 52.672 0.027 . 1 . . . . . 65 LEU CA . 50945 1
132 . 2 . 1 30 30 LEU CB C 13 42.964 0.004 . 1 . . . . . 65 LEU CB . 50945 1
133 . 2 . 1 30 30 LEU N N 15 124.276 0.000 . 1 . . . . . 65 LEU N . 50945 1
134 . 2 . 1 31 31 ASP H H 1 8.063 0.000 . 1 . . . . . 66 ASP H . 50945 1
135 . 2 . 1 31 31 ASP C C 13 174.610 0.009 . 1 . . . . . 66 ASP C . 50945 1
136 . 2 . 1 31 31 ASP CA C 13 53.656 0.010 . 1 . . . . . 66 ASP CA . 50945 1
137 . 2 . 1 31 31 ASP CB C 13 40.398 0.003 . 1 . . . . . 66 ASP CB . 50945 1
138 . 2 . 1 31 31 ASP N N 15 126.708 0.000 . 1 . . . . . 66 ASP N . 50945 1
139 . 2 . 1 32 32 MET H H 1 8.245 0.000 . 1 . . . . . 67 MET H . 50945 1
140 . 2 . 1 32 32 MET C C 13 173.348 0.000 . 1 . . . . . 67 MET C . 50945 1
141 . 2 . 1 32 32 MET CA C 13 51.612 0.000 . 1 . . . . . 67 MET CA . 50945 1
142 . 2 . 1 32 32 MET CB C 13 33.634 0.000 . 1 . . . . . 67 MET CB . 50945 1
143 . 2 . 1 32 32 MET N N 15 125.971 0.000 . 1 . . . . . 67 MET N . 50945 1
144 . 2 . 1 34 34 GLY C C 13 173.461 0.000 . 1 . . . . . 69 GLY C . 50945 1
145 . 2 . 1 34 34 GLY CA C 13 44.809 0.000 . 1 . . . . . 69 GLY CA . 50945 1
146 . 2 . 1 35 35 PHE H H 1 8.029 0.001 . 1 . . . . . 70 PHE H . 50945 1
147 . 2 . 1 35 35 PHE C C 13 175.250 0.000 . 1 . . . . . 70 PHE C . 50945 1
148 . 2 . 1 35 35 PHE CA C 13 58.164 0.017 . 1 . . . . . 70 PHE CA . 50945 1
149 . 2 . 1 35 35 PHE CB C 13 41.277 0.062 . 1 . . . . . 70 PHE CB . 50945 1
150 . 2 . 1 35 35 PHE N N 15 118.884 0.002 . 1 . . . . . 70 PHE N . 50945 1
151 . 2 . 1 36 36 GLY H H 1 8.111 0.000 . 1 . . . . . 71 GLY H . 50945 1
152 . 2 . 1 36 36 GLY C C 13 171.898 0.002 . 1 . . . . . 71 GLY C . 50945 1
153 . 2 . 1 36 36 GLY CA C 13 43.867 0.019 . 1 . . . . . 71 GLY CA . 50945 1
154 . 2 . 1 36 36 GLY N N 15 109.348 0.000 . 1 . . . . . 71 GLY N . 50945 1
155 . 2 . 1 37 37 ALA H H 1 8.017 0.000 . 1 . . . . . 72 ALA H . 50945 1
156 . 2 . 1 37 37 ALA C C 13 177.241 0.007 . 1 . . . . . 72 ALA C . 50945 1
157 . 2 . 1 37 37 ALA CA C 13 51.733 0.003 . 1 . . . . . 72 ALA CA . 50945 1
158 . 2 . 1 37 37 ALA CB C 13 18.276 0.023 . 1 . . . . . 72 ALA CB . 50945 1
159 . 2 . 1 37 37 ALA N N 15 124.085 0.000 . 1 . . . . . 72 ALA N . 50945 1
160 . 2 . 1 38 38 VAL H H 1 8.649 0.000 . 1 . . . . . 73 VAL H . 50945 1
161 . 2 . 1 38 38 VAL C C 13 174.682 0.009 . 1 . . . . . 73 VAL C . 50945 1
162 . 2 . 1 38 38 VAL CA C 13 61.794 0.014 . 1 . . . . . 73 VAL CA . 50945 1
163 . 2 . 1 38 38 VAL CB C 13 32.766 0.025 . 1 . . . . . 73 VAL CB . 50945 1
164 . 2 . 1 38 38 VAL N N 15 126.591 0.000 . 1 . . . . . 73 VAL N . 50945 1
165 . 2 . 1 39 39 ALA H H 1 8.429 0.000 . 1 . . . . . 74 ALA H . 50945 1
166 . 2 . 1 39 39 ALA C C 13 177.895 0.003 . 1 . . . . . 74 ALA C . 50945 1
167 . 2 . 1 39 39 ALA CA C 13 50.682 0.001 . 1 . . . . . 74 ALA CA . 50945 1
168 . 2 . 1 39 39 ALA CB C 13 20.289 0.016 . 1 . . . . . 74 ALA CB . 50945 1
169 . 2 . 1 39 39 ALA N N 15 130.028 0.000 . 1 . . . . . 74 ALA N . 50945 1
170 . 2 . 1 40 40 SER H H 1 8.939 0.000 . 1 . . . . . 75 SER H . 50945 1
171 . 2 . 1 40 40 SER C C 13 173.744 0.000 . 1 . . . . . 75 SER C . 50945 1
172 . 2 . 1 40 40 SER CA C 13 56.989 0.002 . 1 . . . . . 75 SER CA . 50945 1
173 . 2 . 1 40 40 SER CB C 13 62.314 0.043 . 1 . . . . . 75 SER CB . 50945 1
174 . 2 . 1 40 40 SER N N 15 115.233 0.000 . 1 . . . . . 75 SER N . 50945 1
175 . 2 . 1 41 41 ASN H H 1 9.007 0.000 . 1 . . . . . 76 ASN H . 50945 1
176 . 2 . 1 41 41 ASN C C 13 174.341 0.006 . 1 . . . . . 76 ASN C . 50945 1
177 . 2 . 1 41 41 ASN CA C 13 50.425 0.038 . 1 . . . . . 76 ASN CA . 50945 1
178 . 2 . 1 41 41 ASN CB C 13 39.734 0.028 . 1 . . . . . 76 ASN CB . 50945 1
179 . 2 . 1 41 41 ASN N N 15 129.644 0.000 . 1 . . . . . 76 ASN N . 50945 1
180 . 2 . 1 42 42 GLY H H 1 7.797 0.000 . 1 . . . . . 77 GLY H . 50945 1
181 . 2 . 1 42 42 GLY C C 13 173.061 0.012 . 1 . . . . . 77 GLY C . 50945 1
182 . 2 . 1 42 42 GLY CA C 13 42.524 0.004 . 1 . . . . . 77 GLY CA . 50945 1
183 . 2 . 1 42 42 GLY N N 15 108.618 0.000 . 1 . . . . . 77 GLY N . 50945 1
184 . 2 . 1 43 43 LEU H H 1 8.730 0.000 . 1 . . . . . 78 LEU H . 50945 1
185 . 2 . 1 43 43 LEU C C 13 174.942 0.013 . 1 . . . . . 78 LEU C . 50945 1
186 . 2 . 1 43 43 LEU CA C 13 52.516 0.030 . 1 . . . . . 78 LEU CA . 50945 1
187 . 2 . 1 43 43 LEU CB C 13 47.842 0.032 . 1 . . . . . 78 LEU CB . 50945 1
188 . 2 . 1 43 43 LEU N N 15 116.677 0.000 . 1 . . . . . 78 LEU N . 50945 1
189 . 2 . 1 44 44 ILE H H 1 9.359 0.000 . 1 . . . . . 79 ILE H . 50945 1
190 . 2 . 1 44 44 ILE C C 13 173.991 0.009 . 1 . . . . . 79 ILE C . 50945 1
191 . 2 . 1 44 44 ILE CA C 13 60.424 0.044 . 1 . . . . . 79 ILE CA . 50945 1
192 . 2 . 1 44 44 ILE CB C 13 40.870 0.003 . 1 . . . . . 79 ILE CB . 50945 1
193 . 2 . 1 44 44 ILE N N 15 121.556 0.000 . 1 . . . . . 79 ILE N . 50945 1
194 . 2 . 1 45 45 VAL H H 1 9.436 0.000 . 1 . . . . . 80 VAL H . 50945 1
195 . 2 . 1 45 45 VAL C C 13 174.502 0.000 . 1 . . . . . 80 VAL C . 50945 1
196 . 2 . 1 45 45 VAL CA C 13 59.754 0.045 . 1 . . . . . 80 VAL CA . 50945 1
197 . 2 . 1 45 45 VAL CB C 13 35.276 0.017 . 1 . . . . . 80 VAL CB . 50945 1
198 . 2 . 1 45 45 VAL N N 15 126.788 0.000 . 1 . . . . . 80 VAL N . 50945 1
199 . 2 . 1 46 46 ARG H H 1 9.466 0.000 . 1 . . . . . 81 ARG H . 50945 1
200 . 2 . 1 46 46 ARG C C 13 173.021 0.004 . 1 . . . . . 81 ARG C . 50945 1
201 . 2 . 1 46 46 ARG CA C 13 55.266 0.049 . 1 . . . . . 81 ARG CA . 50945 1
202 . 2 . 1 46 46 ARG CB C 13 31.919 0.034 . 1 . . . . . 81 ARG CB . 50945 1
203 . 2 . 1 46 46 ARG N N 15 129.073 0.000 . 1 . . . . . 81 ARG N . 50945 1
204 . 2 . 1 47 47 ASP H H 1 8.910 0.000 . 1 . . . . . 82 ASP H . 50945 1
205 . 2 . 1 47 47 ASP C C 13 174.832 0.011 . 1 . . . . . 82 ASP C . 50945 1
206 . 2 . 1 47 47 ASP CA C 13 51.551 0.018 . 1 . . . . . 82 ASP CA . 50945 1
207 . 2 . 1 47 47 ASP CB C 13 43.321 0.015 . 1 . . . . . 82 ASP CB . 50945 1
208 . 2 . 1 47 47 ASP N N 15 129.706 0.000 . 1 . . . . . 82 ASP N . 50945 1
209 . 2 . 1 48 48 GLY H H 1 8.688 0.000 . 1 . . . . . 83 GLY H . 50945 1
210 . 2 . 1 48 48 GLY C C 13 173.881 0.000 . 1 . . . . . 83 GLY C . 50945 1
211 . 2 . 1 48 48 GLY CA C 13 47.057 0.000 . 1 . . . . . 83 GLY CA . 50945 1
212 . 2 . 1 48 48 GLY N N 15 113.694 0.000 . 1 . . . . . 83 GLY N . 50945 1
213 . 2 . 1 49 49 GLY H H 1 8.488 0.000 . 1 . . . . . 84 GLY H . 50945 1
214 . 2 . 1 49 49 GLY C C 13 172.226 0.000 . 1 . . . . . 84 GLY C . 50945 1
215 . 2 . 1 49 49 GLY CA C 13 45.369 0.046 . 1 . . . . . 84 GLY CA . 50945 1
216 . 2 . 1 49 49 GLY N N 15 116.449 0.000 . 1 . . . . . 84 GLY N . 50945 1
217 . 2 . 1 50 50 ARG H H 1 7.589 0.000 . 1 . . . . . 85 ARG H . 50945 1
218 . 2 . 1 50 50 ARG C C 13 172.245 0.019 . 1 . . . . . 85 ARG C . 50945 1
219 . 2 . 1 50 50 ARG CA C 13 53.354 0.014 . 1 . . . . . 85 ARG CA . 50945 1
220 . 2 . 1 50 50 ARG CB C 13 32.456 0.044 . 1 . . . . . 85 ARG CB . 50945 1
221 . 2 . 1 50 50 ARG N N 15 117.264 0.000 . 1 . . . . . 85 ARG N . 50945 1
222 . 2 . 1 51 51 VAL H H 1 8.730 0.000 . 1 . . . . . 86 VAL H . 50945 1
223 . 2 . 1 51 51 VAL C C 13 172.832 0.005 . 1 . . . . . 86 VAL C . 50945 1
224 . 2 . 1 51 51 VAL CA C 13 59.724 0.017 . 1 . . . . . 86 VAL CA . 50945 1
225 . 2 . 1 51 51 VAL CB C 13 33.657 0.004 . 1 . . . . . 86 VAL CB . 50945 1
226 . 2 . 1 51 51 VAL N N 15 119.026 0.000 . 1 . . . . . 86 VAL N . 50945 1
227 . 2 . 1 52 52 LEU H H 1 9.454 0.000 . 1 . . . . . 87 LEU H . 50945 1
228 . 2 . 1 52 52 LEU C C 13 174.717 0.012 . 1 . . . . . 87 LEU C . 50945 1
229 . 2 . 1 52 52 LEU CA C 13 52.395 0.014 . 1 . . . . . 87 LEU CA . 50945 1
230 . 2 . 1 52 52 LEU CB C 13 43.044 0.043 . 1 . . . . . 87 LEU CB . 50945 1
231 . 2 . 1 52 52 LEU N N 15 126.300 0.000 . 1 . . . . . 87 LEU N . 50945 1
232 . 2 . 1 53 53 VAL H H 1 8.062 0.000 . 1 . . . . . 88 VAL H . 50945 1
233 . 2 . 1 53 53 VAL C C 13 173.054 0.004 . 1 . . . . . 88 VAL C . 50945 1
234 . 2 . 1 53 53 VAL CA C 13 60.798 0.009 . 1 . . . . . 88 VAL CA . 50945 1
235 . 2 . 1 53 53 VAL CB C 13 34.627 0.019 . 1 . . . . . 88 VAL CB . 50945 1
236 . 2 . 1 53 53 VAL N N 15 122.794 0.000 . 1 . . . . . 88 VAL N . 50945 1
237 . 2 . 1 54 54 VAL H H 1 9.075 0.000 . 1 . . . . . 89 VAL H . 50945 1
238 . 2 . 1 54 54 VAL C C 13 175.159 0.015 . 1 . . . . . 89 VAL C . 50945 1
239 . 2 . 1 54 54 VAL CA C 13 60.750 0.055 . 1 . . . . . 89 VAL CA . 50945 1
240 . 2 . 1 54 54 VAL CB C 13 31.957 0.026 . 1 . . . . . 89 VAL CB . 50945 1
241 . 2 . 1 54 54 VAL N N 15 127.043 0.000 . 1 . . . . . 89 VAL N . 50945 1
242 . 2 . 1 55 55 ASP H H 1 8.966 0.000 . 1 . . . . . 90 ASP H . 50945 1
243 . 2 . 1 55 55 ASP C C 13 174.405 0.003 . 1 . . . . . 90 ASP C . 50945 1
244 . 2 . 1 55 55 ASP CA C 13 57.776 0.021 . 1 . . . . . 90 ASP CA . 50945 1
245 . 2 . 1 55 55 ASP CB C 13 39.676 0.026 . 1 . . . . . 90 ASP CB . 50945 1
246 . 2 . 1 55 55 ASP N N 15 119.542 0.000 . 1 . . . . . 90 ASP N . 50945 1
247 . 2 . 1 56 56 THR H H 1 7.535 0.000 . 1 . . . . . 91 THR H . 50945 1
248 . 2 . 1 56 56 THR C C 13 184.765 0.000 . 1 . . . . . 91 THR C . 50945 1
249 . 2 . 1 56 56 THR CA C 13 59.748 0.011 . 1 . . . . . 91 THR CA . 50945 1
250 . 2 . 1 56 56 THR CB C 13 67.564 0.022 . 1 . . . . . 91 THR CB . 50945 1
251 . 2 . 1 56 56 THR N N 15 106.283 0.000 . 1 . . . . . 91 THR N . 50945 1
252 . 2 . 1 57 57 ALA H H 1 6.519 0.000 . 1 . . . . . 92 ALA H . 50945 1
253 . 2 . 1 57 57 ALA C C 13 176.995 0.000 . 1 . . . . . 92 ALA C . 50945 1
254 . 2 . 1 57 57 ALA CA C 13 49.983 0.022 . 1 . . . . . 92 ALA CA . 50945 1
255 . 2 . 1 57 57 ALA CB C 13 21.659 0.023 . 1 . . . . . 92 ALA CB . 50945 1
256 . 2 . 1 57 57 ALA N N 15 114.160 0.000 . 1 . . . . . 92 ALA N . 50945 1
257 . 2 . 1 58 58 TRP H H 1 6.943 0.000 . 1 . . . . . 93 TRP H . 50945 1
258 . 2 . 1 58 58 TRP C C 13 176.259 0.000 . 1 . . . . . 93 TRP C . 50945 1
259 . 2 . 1 58 58 TRP CA C 13 59.474 0.000 . 1 . . . . . 93 TRP CA . 50945 1
260 . 2 . 1 58 58 TRP CB C 13 29.302 0.000 . 1 . . . . . 93 TRP CB . 50945 1
261 . 2 . 1 58 58 TRP N N 15 114.131 0.000 . 1 . . . . . 93 TRP N . 50945 1
262 . 2 . 1 59 59 THR H H 1 6.942 0.000 . 1 . . . . . 94 THR H . 50945 1
263 . 2 . 1 59 59 THR C C 13 176.715 0.000 . 1 . . . . . 94 THR C . 50945 1
264 . 2 . 1 59 59 THR CA C 13 57.173 0.000 . 1 . . . . . 94 THR CA . 50945 1
265 . 2 . 1 59 59 THR CB C 13 73.300 0.000 . 1 . . . . . 94 THR CB . 50945 1
266 . 2 . 1 59 59 THR N N 15 98.600 0.000 . 1 . . . . . 94 THR N . 50945 1
267 . 2 . 1 60 60 ASP H H 1 9.227 0.000 . 1 . . . . . 95 ASP H . 50945 1
268 . 2 . 1 60 60 ASP C C 13 177.277 0.037 . 1 . . . . . 95 ASP C . 50945 1
269 . 2 . 1 60 60 ASP CA C 13 57.853 0.002 . 1 . . . . . 95 ASP CA . 50945 1
270 . 2 . 1 60 60 ASP CB C 13 40.277 0.006 . 1 . . . . . 95 ASP CB . 50945 1
271 . 2 . 1 60 60 ASP N N 15 126.352 0.000 . 1 . . . . . 95 ASP N . 50945 1
272 . 2 . 1 61 61 ASP H H 1 8.572 0.000 . 1 . . . . . 96 ASP H . 50945 1
273 . 2 . 1 61 61 ASP C C 13 178.936 0.016 . 1 . . . . . 96 ASP C . 50945 1
274 . 2 . 1 61 61 ASP CA C 13 57.142 0.003 . 1 . . . . . 96 ASP CA . 50945 1
275 . 2 . 1 61 61 ASP CB C 13 40.469 0.008 . 1 . . . . . 96 ASP CB . 50945 1
276 . 2 . 1 61 61 ASP N N 15 120.283 0.000 . 1 . . . . . 96 ASP N . 50945 1
277 . 2 . 1 62 62 GLN H H 1 7.696 0.000 . 1 . . . . . 97 GLN H . 50945 1
278 . 2 . 1 62 62 GLN C C 13 177.578 0.006 . 1 . . . . . 97 GLN C . 50945 1
279 . 2 . 1 62 62 GLN CA C 13 57.779 0.002 . 1 . . . . . 97 GLN CA . 50945 1
280 . 2 . 1 62 62 GLN CB C 13 30.139 0.010 . 1 . . . . . 97 GLN CB . 50945 1
281 . 2 . 1 62 62 GLN N N 15 117.073 0.000 . 1 . . . . . 97 GLN N . 50945 1
282 . 2 . 1 63 63 THR H H 1 7.918 0.000 . 1 . . . . . 98 THR H . 50945 1
283 . 2 . 1 63 63 THR C C 13 175.112 0.000 . 1 . . . . . 98 THR C . 50945 1
284 . 2 . 1 63 63 THR CA C 13 66.766 0.023 . 1 . . . . . 98 THR CA . 50945 1
285 . 2 . 1 63 63 THR CB C 13 67.178 0.012 . 1 . . . . . 98 THR CB . 50945 1
286 . 2 . 1 63 63 THR N N 15 117.618 0.000 . 1 . . . . . 98 THR N . 50945 1
287 . 2 . 1 64 64 ALA H H 1 8.677 0.000 . 1 . . . . . 99 ALA H . 50945 1
288 . 2 . 1 64 64 ALA C C 13 179.812 0.001 . 1 . . . . . 99 ALA C . 50945 1
289 . 2 . 1 64 64 ALA CA C 13 54.860 0.026 . 1 . . . . . 99 ALA CA . 50945 1
290 . 2 . 1 64 64 ALA CB C 13 16.747 0.003 . 1 . . . . . 99 ALA CB . 50945 1
291 . 2 . 1 64 64 ALA N N 15 125.217 0.000 . 1 . . . . . 99 ALA N . 50945 1
292 . 2 . 1 65 65 GLN H H 1 7.461 0.000 . 1 . . . . . 100 GLN H . 50945 1
293 . 2 . 1 65 65 GLN C C 13 178.265 0.016 . 1 . . . . . 100 GLN C . 50945 1
294 . 2 . 1 65 65 GLN CA C 13 59.093 0.004 . 1 . . . . . 100 GLN CA . 50945 1
295 . 2 . 1 65 65 GLN CB C 13 28.103 0.013 . 1 . . . . . 100 GLN CB . 50945 1
296 . 2 . 1 65 65 GLN N N 15 117.255 0.000 . 1 . . . . . 100 GLN N . 50945 1
297 . 2 . 1 66 66 ILE H H 1 7.649 0.000 . 1 . . . . . 101 ILE H . 50945 1
298 . 2 . 1 66 66 ILE C C 13 177.213 0.023 . 1 . . . . . 101 ILE C . 50945 1
299 . 2 . 1 66 66 ILE CA C 13 66.155 0.045 . 1 . . . . . 101 ILE CA . 50945 1
300 . 2 . 1 66 66 ILE CB C 13 36.863 0.036 . 1 . . . . . 101 ILE CB . 50945 1
301 . 2 . 1 66 66 ILE N N 15 121.031 0.000 . 1 . . . . . 101 ILE N . 50945 1
302 . 2 . 1 67 67 LEU H H 1 7.423 0.000 . 1 . . . . . 102 LEU H . 50945 1
303 . 2 . 1 67 67 LEU C C 13 179.574 0.003 . 1 . . . . . 102 LEU C . 50945 1
304 . 2 . 1 67 67 LEU CA C 13 57.243 0.038 . 1 . . . . . 102 LEU CA . 50945 1
305 . 2 . 1 67 67 LEU CB C 13 38.850 0.030 . 1 . . . . . 102 LEU CB . 50945 1
306 . 2 . 1 67 67 LEU N N 15 116.577 0.000 . 1 . . . . . 102 LEU N . 50945 1
307 . 2 . 1 68 68 ASN H H 1 8.057 0.000 . 1 . . . . . 103 ASN H . 50945 1
308 . 2 . 1 68 68 ASN C C 13 176.280 0.012 . 1 . . . . . 103 ASN C . 50945 1
309 . 2 . 1 68 68 ASN CA C 13 55.146 0.000 . 1 . . . . . 103 ASN CA . 50945 1
310 . 2 . 1 68 68 ASN CB C 13 37.179 0.002 . 1 . . . . . 103 ASN CB . 50945 1
311 . 2 . 1 68 68 ASN N N 15 120.355 0.000 . 1 . . . . . 103 ASN N . 50945 1
312 . 2 . 1 69 69 TRP H H 1 8.321 0.000 . 1 . . . . . 104 TRP H . 50945 1
313 . 2 . 1 69 69 TRP C C 13 176.531 0.008 . 1 . . . . . 104 TRP C . 50945 1
314 . 2 . 1 69 69 TRP CA C 13 61.965 0.013 . 1 . . . . . 104 TRP CA . 50945 1
315 . 2 . 1 69 69 TRP CB C 13 26.973 0.037 . 1 . . . . . 104 TRP CB . 50945 1
316 . 2 . 1 69 69 TRP N N 15 125.509 0.000 . 1 . . . . . 104 TRP N . 50945 1
317 . 2 . 1 70 70 ILE H H 1 8.328 0.000 . 1 . . . . . 105 ILE H . 50945 1
318 . 2 . 1 70 70 ILE C C 13 177.631 0.006 . 1 . . . . . 105 ILE C . 50945 1
319 . 2 . 1 70 70 ILE CA C 13 65.052 0.016 . 1 . . . . . 105 ILE CA . 50945 1
320 . 2 . 1 70 70 ILE CB C 13 37.626 0.097 . 1 . . . . . 105 ILE CB . 50945 1
321 . 2 . 1 70 70 ILE N N 15 118.259 0.000 . 1 . . . . . 105 ILE N . 50945 1
322 . 2 . 1 71 71 LYS H H 1 7.554 0.000 . 1 . . . . . 106 LYS H . 50945 1
323 . 2 . 1 71 71 LYS C C 13 175.851 0.008 . 1 . . . . . 106 LYS C . 50945 1
324 . 2 . 1 71 71 LYS CA C 13 58.909 0.008 . 1 . . . . . 106 LYS CA . 50945 1
325 . 2 . 1 71 71 LYS CB C 13 31.348 0.044 . 1 . . . . . 106 LYS CB . 50945 1
326 . 2 . 1 71 71 LYS N N 15 121.045 0.000 . 1 . . . . . 106 LYS N . 50945 1
327 . 2 . 1 72 72 GLN H H 1 7.200 0.000 . 1 . . . . . 107 GLN H . 50945 1
328 . 2 . 1 72 72 GLN C C 13 176.507 0.045 . 1 . . . . . 107 GLN C . 50945 1
329 . 2 . 1 72 72 GLN CA C 13 57.647 0.017 . 1 . . . . . 107 GLN CA . 50945 1
330 . 2 . 1 72 72 GLN CB C 13 29.346 0.034 . 1 . . . . . 107 GLN CB . 50945 1
331 . 2 . 1 72 72 GLN N N 15 115.402 0.000 . 1 . . . . . 107 GLN N . 50945 1
332 . 2 . 1 73 73 GLU H H 1 7.952 0.000 . 1 . . . . . 108 GLU H . 50945 1
333 . 2 . 1 73 73 GLU C C 13 175.908 0.005 . 1 . . . . . 108 GLU C . 50945 1
334 . 2 . 1 73 73 GLU CA C 13 56.134 0.017 . 1 . . . . . 108 GLU CA . 50945 1
335 . 2 . 1 73 73 GLU CB C 13 28.555 0.005 . 1 . . . . . 108 GLU CB . 50945 1
336 . 2 . 1 73 73 GLU N N 15 115.737 0.000 . 1 . . . . . 108 GLU N . 50945 1
337 . 2 . 1 74 74 ILE H H 1 7.229 0.000 . 1 . . . . . 109 ILE H . 50945 1
338 . 2 . 1 74 74 ILE C C 13 175.616 0.004 . 1 . . . . . 109 ILE C . 50945 1
339 . 2 . 1 74 74 ILE CA C 13 61.646 0.007 . 1 . . . . . 109 ILE CA . 50945 1
340 . 2 . 1 74 74 ILE CB C 13 38.411 0.081 . 1 . . . . . 109 ILE CB . 50945 1
341 . 2 . 1 74 74 ILE N N 15 117.887 0.000 . 1 . . . . . 109 ILE N . 50945 1
342 . 2 . 1 75 75 ASN H H 1 8.578 0.000 . 1 . . . . . 110 ASN H . 50945 1
343 . 2 . 1 75 75 ASN C C 13 172.961 0.008 . 1 . . . . . 110 ASN C . 50945 1
344 . 2 . 1 75 75 ASN CA C 13 53.121 0.009 . 1 . . . . . 110 ASN CA . 50945 1
345 . 2 . 1 75 75 ASN CB C 13 35.954 0.018 . 1 . . . . . 110 ASN CB . 50945 1
346 . 2 . 1 75 75 ASN N N 15 115.551 0.000 . 1 . . . . . 110 ASN N . 50945 1
347 . 2 . 1 76 76 LEU H H 1 6.150 0.000 . 1 . . . . . 111 LEU H . 50945 1
348 . 2 . 1 76 76 LEU C C 13 172.628 0.000 . 1 . . . . . 111 LEU C . 50945 1
349 . 2 . 1 76 76 LEU CA C 13 50.851 0.000 . 1 . . . . . 111 LEU CA . 50945 1
350 . 2 . 1 76 76 LEU CB C 13 44.545 0.000 . 1 . . . . . 111 LEU CB . 50945 1
351 . 2 . 1 76 76 LEU N N 15 115.978 0.000 . 1 . . . . . 111 LEU N . 50945 1
352 . 2 . 1 77 77 PRO C C 13 175.100 0.000 . 1 . . . . . 112 PRO C . 50945 1
353 . 2 . 1 77 77 PRO CA C 13 61.567 0.000 . 1 . . . . . 112 PRO CA . 50945 1
354 . 2 . 1 77 77 PRO CB C 13 31.637 0.000 . 1 . . . . . 112 PRO CB . 50945 1
355 . 2 . 1 78 78 VAL H H 1 8.322 0.000 . 1 . . . . . 113 VAL H . 50945 1
356 . 2 . 1 78 78 VAL C C 13 175.303 0.060 . 1 . . . . . 113 VAL C . 50945 1
357 . 2 . 1 78 78 VAL CA C 13 60.629 0.031 . 1 . . . . . 113 VAL CA . 50945 1
358 . 2 . 1 78 78 VAL CB C 13 30.094 0.006 . 1 . . . . . 113 VAL CB . 50945 1
359 . 2 . 1 78 78 VAL N N 15 121.836 0.000 . 1 . . . . . 113 VAL N . 50945 1
360 . 2 . 1 79 79 ALA H H 1 9.036 0.000 . 1 . . . . . 114 ALA H . 50945 1
361 . 2 . 1 79 79 ALA C C 13 177.295 0.009 . 1 . . . . . 114 ALA C . 50945 1
362 . 2 . 1 79 79 ALA CA C 13 53.230 0.040 . 1 . . . . . 114 ALA CA . 50945 1
363 . 2 . 1 79 79 ALA CB C 13 21.115 0.010 . 1 . . . . . 114 ALA CB . 50945 1
364 . 2 . 1 79 79 ALA N N 15 129.780 0.000 . 1 . . . . . 114 ALA N . 50945 1
365 . 2 . 1 80 80 LEU H H 1 7.254 0.000 . 1 . . . . . 115 LEU H . 50945 1
366 . 2 . 1 80 80 LEU C C 13 173.000 0.001 . 1 . . . . . 115 LEU C . 50945 1
367 . 2 . 1 80 80 LEU CA C 13 53.617 0.008 . 1 . . . . . 115 LEU CA . 50945 1
368 . 2 . 1 80 80 LEU CB C 13 42.848 0.015 . 1 . . . . . 115 LEU CB . 50945 1
369 . 2 . 1 80 80 LEU N N 15 110.720 0.000 . 1 . . . . . 115 LEU N . 50945 1
370 . 2 . 1 81 81 ALA H H 1 8.663 0.000 . 1 . . . . . 116 ALA H . 50945 1
371 . 2 . 1 81 81 ALA C C 13 174.633 0.004 . 1 . . . . . 116 ALA C . 50945 1
372 . 2 . 1 81 81 ALA CA C 13 48.873 0.034 . 1 . . . . . 116 ALA CA . 50945 1
373 . 2 . 1 81 81 ALA CB C 13 23.507 0.011 . 1 . . . . . 116 ALA CB . 50945 1
374 . 2 . 1 81 81 ALA N N 15 120.649 0.000 . 1 . . . . . 116 ALA N . 50945 1
375 . 2 . 1 82 82 VAL H H 1 8.769 0.000 . 1 . . . . . 117 VAL H . 50945 1
376 . 2 . 1 82 82 VAL C C 13 172.888 0.004 . 1 . . . . . 117 VAL C . 50945 1
377 . 2 . 1 82 82 VAL CA C 13 58.392 0.024 . 1 . . . . . 117 VAL CA . 50945 1
378 . 2 . 1 82 82 VAL CB C 13 34.549 0.001 . 1 . . . . . 117 VAL CB . 50945 1
379 . 2 . 1 82 82 VAL N N 15 121.874 0.000 . 1 . . . . . 117 VAL N . 50945 1
380 . 2 . 1 83 83 VAL H H 1 8.040 0.000 . 1 . . . . . 118 VAL H . 50945 1
381 . 2 . 1 83 83 VAL C C 13 179.584 0.038 . 1 . . . . . 118 VAL C . 50945 1
382 . 2 . 1 83 83 VAL CA C 13 58.033 0.022 . 1 . . . . . 118 VAL CA . 50945 1
383 . 2 . 1 83 83 VAL CB C 13 33.234 0.026 . 1 . . . . . 118 VAL CB . 50945 1
384 . 2 . 1 83 83 VAL N N 15 119.459 0.000 . 1 . . . . . 118 VAL N . 50945 1
385 . 2 . 1 84 84 THR H H 1 10.417 0.000 . 1 . . . . . 119 THR H . 50945 1
386 . 2 . 1 84 84 THR C C 13 176.659 0.024 . 1 . . . . . 119 THR C . 50945 1
387 . 2 . 1 84 84 THR CA C 13 64.825 0.022 . 1 . . . . . 119 THR CA . 50945 1
388 . 2 . 1 84 84 THR CB C 13 69.919 0.021 . 1 . . . . . 119 THR CB . 50945 1
389 . 2 . 1 84 84 THR N N 15 112.782 0.000 . 1 . . . . . 119 THR N . 50945 1
390 . 2 . 1 85 85 HIS H H 1 6.815 0.000 . 1 . . . . . 120 HIS H . 50945 1
391 . 2 . 1 85 85 HIS C C 13 171.355 0.018 . 1 . . . . . 120 HIS C . 50945 1
392 . 2 . 1 85 85 HIS CA C 13 57.734 0.003 . 1 . . . . . 120 HIS CA . 50945 1
393 . 2 . 1 85 85 HIS CB C 13 28.329 0.028 . 1 . . . . . 120 HIS CB . 50945 1
394 . 2 . 1 85 85 HIS N N 15 107.810 0.000 . 1 . . . . . 120 HIS N . 50945 1
395 . 2 . 1 86 86 ALA H H 1 8.618 0.000 . 1 . . . . . 121 ALA H . 50945 1
396 . 2 . 1 86 86 ALA C C 13 174.753 0.016 . 1 . . . . . 121 ALA C . 50945 1
397 . 2 . 1 86 86 ALA CA C 13 50.931 0.034 . 1 . . . . . 121 ALA CA . 50945 1
398 . 2 . 1 86 86 ALA CB C 13 16.804 0.005 . 1 . . . . . 121 ALA CB . 50945 1
399 . 2 . 1 86 86 ALA N N 15 121.893 0.000 . 1 . . . . . 121 ALA N . 50945 1
400 . 2 . 1 87 87 HIS H H 1 7.042 0.000 . 1 . . . . . 122 HIS H . 50945 1
401 . 2 . 1 87 87 HIS C C 13 176.501 0.055 . 1 . . . . . 122 HIS C . 50945 1
402 . 2 . 1 87 87 HIS CA C 13 52.263 0.030 . 1 . . . . . 122 HIS CA . 50945 1
403 . 2 . 1 87 87 HIS CB C 13 36.570 0.016 . 1 . . . . . 122 HIS CB . 50945 1
404 . 2 . 1 87 87 HIS N N 15 118.223 0.000 . 1 . . . . . 122 HIS N . 50945 1
405 . 2 . 1 88 88 GLN H H 1 9.352 0.000 . 1 . . . . . 123 GLN H . 50945 1
406 . 2 . 1 88 88 GLN C C 13 174.145 0.041 . 1 . . . . . 123 GLN C . 50945 1
407 . 2 . 1 88 88 GLN CA C 13 59.284 0.024 . 1 . . . . . 123 GLN CA . 50945 1
408 . 2 . 1 88 88 GLN CB C 13 28.393 0.002 . 1 . . . . . 123 GLN CB . 50945 1
409 . 2 . 1 88 88 GLN N N 15 123.380 0.000 . 1 . . . . . 123 GLN N . 50945 1
410 . 2 . 1 89 89 ASP H H 1 8.882 0.000 . 1 . . . . . 124 ASP H . 50945 1
411 . 2 . 1 89 89 ASP CA C 13 54.632 0.000 . 1 . . . . . 124 ASP CA . 50945 1
412 . 2 . 1 89 89 ASP CB C 13 32.848 0.000 . 1 . . . . . 124 ASP CB . 50945 1
413 . 2 . 1 89 89 ASP N N 15 109.126 0.000 . 1 . . . . . 124 ASP N . 50945 1
414 . 2 . 1 91 91 MET CA C 13 54.617 0.000 . 1 . . . . . 126 MET CA . 50945 1
415 . 2 . 1 91 91 MET CB C 13 36.018 0.000 . 1 . . . . . 126 MET CB . 50945 1
416 . 2 . 1 92 92 GLY H H 1 7.845 0.000 . 1 . . . . . 127 GLY H . 50945 1
417 . 2 . 1 92 92 GLY C C 13 173.247 0.014 . 1 . . . . . 127 GLY C . 50945 1
418 . 2 . 1 92 92 GLY CA C 13 46.698 0.011 . 1 . . . . . 127 GLY CA . 50945 1
419 . 2 . 1 92 92 GLY N N 15 111.861 0.000 . 1 . . . . . 127 GLY N . 50945 1
420 . 2 . 1 93 93 GLY H H 1 7.943 0.000 . 1 . . . . . 128 GLY H . 50945 1
421 . 2 . 1 93 93 GLY C C 13 174.910 0.000 . 1 . . . . . 128 GLY C . 50945 1
422 . 2 . 1 93 93 GLY CA C 13 43.990 0.008 . 1 . . . . . 128 GLY CA . 50945 1
423 . 2 . 1 93 93 GLY N N 15 105.360 0.000 . 1 . . . . . 128 GLY N . 50945 1
424 . 2 . 1 94 94 MET H H 1 6.552 0.000 . 1 . . . . . 129 MET H . 50945 1
425 . 2 . 1 94 94 MET C C 13 177.642 0.014 . 1 . . . . . 129 MET C . 50945 1
426 . 2 . 1 94 94 MET CA C 13 56.335 0.039 . 1 . . . . . 129 MET CA . 50945 1
427 . 2 . 1 94 94 MET CB C 13 30.836 0.008 . 1 . . . . . 129 MET CB . 50945 1
428 . 2 . 1 94 94 MET N N 15 116.398 0.000 . 1 . . . . . 129 MET N . 50945 1
429 . 2 . 1 95 95 ASP H H 1 8.814 0.000 . 1 . . . . . 130 ASP H . 50945 1
430 . 2 . 1 95 95 ASP C C 13 178.462 0.013 . 1 . . . . . 130 ASP C . 50945 1
431 . 2 . 1 95 95 ASP CA C 13 57.465 0.060 . 1 . . . . . 130 ASP CA . 50945 1
432 . 2 . 1 95 95 ASP CB C 13 40.059 0.029 . 1 . . . . . 130 ASP CB . 50945 1
433 . 2 . 1 95 95 ASP N N 15 117.875 0.000 . 1 . . . . . 130 ASP N . 50945 1
434 . 2 . 1 96 96 ALA H H 1 7.577 0.000 . 1 . . . . . 131 ALA H . 50945 1
435 . 2 . 1 96 96 ALA C C 13 180.268 0.007 . 1 . . . . . 131 ALA C . 50945 1
436 . 2 . 1 96 96 ALA CA C 13 54.212 0.044 . 1 . . . . . 131 ALA CA . 50945 1
437 . 2 . 1 96 96 ALA CB C 13 18.242 0.007 . 1 . . . . . 131 ALA CB . 50945 1
438 . 2 . 1 96 96 ALA N N 15 121.640 0.000 . 1 . . . . . 131 ALA N . 50945 1
439 . 2 . 1 97 97 LEU H H 1 7.024 0.000 . 1 . . . . . 132 LEU H . 50945 1
440 . 2 . 1 97 97 LEU C C 13 178.502 0.033 . 1 . . . . . 132 LEU C . 50945 1
441 . 2 . 1 97 97 LEU CA C 13 56.780 0.025 . 1 . . . . . 132 LEU CA . 50945 1
442 . 2 . 1 97 97 LEU CB C 13 39.658 0.032 . 1 . . . . . 132 LEU CB . 50945 1
443 . 2 . 1 97 97 LEU N N 15 115.346 0.000 . 1 . . . . . 132 LEU N . 50945 1
444 . 2 . 1 98 98 HIS H H 1 8.146 0.000 . 1 . . . . . 133 HIS H . 50945 1
445 . 2 . 1 98 98 HIS C C 13 179.656 0.009 . 1 . . . . . 133 HIS C . 50945 1
446 . 2 . 1 98 98 HIS CA C 13 56.443 0.021 . 1 . . . . . 133 HIS CA . 50945 1
447 . 2 . 1 98 98 HIS CB C 13 27.507 0.002 . 1 . . . . . 133 HIS CB . 50945 1
448 . 2 . 1 98 98 HIS N N 15 120.636 0.000 . 1 . . . . . 133 HIS N . 50945 1
449 . 2 . 1 99 99 ALA H H 1 8.756 0.000 . 1 . . . . . 134 ALA H . 50945 1
450 . 2 . 1 99 99 ALA C C 13 177.932 0.008 . 1 . . . . . 134 ALA C . 50945 1
451 . 2 . 1 99 99 ALA CA C 13 54.072 0.016 . 1 . . . . . 134 ALA CA . 50945 1
452 . 2 . 1 99 99 ALA CB C 13 17.186 0.006 . 1 . . . . . 134 ALA CB . 50945 1
453 . 2 . 1 99 99 ALA N N 15 124.807 0.000 . 1 . . . . . 134 ALA N . 50945 1
454 . 2 . 1 100 100 ALA H H 1 6.948 0.000 . 1 . . . . . 135 ALA H . 50945 1
455 . 2 . 1 100 100 ALA C C 13 176.908 0.011 . 1 . . . . . 135 ALA C . 50945 1
456 . 2 . 1 100 100 ALA CA C 13 51.008 0.007 . 1 . . . . . 135 ALA CA . 50945 1
457 . 2 . 1 100 100 ALA CB C 13 18.860 0.006 . 1 . . . . . 135 ALA CB . 50945 1
458 . 2 . 1 100 100 ALA N N 15 118.373 0.000 . 1 . . . . . 135 ALA N . 50945 1
459 . 2 . 1 101 101 GLY H H 1 7.868 0.000 . 1 . . . . . 136 GLY H . 50945 1
460 . 2 . 1 101 101 GLY C C 13 173.715 0.004 . 1 . . . . . 136 GLY C . 50945 1
461 . 2 . 1 101 101 GLY CA C 13 45.385 0.024 . 1 . . . . . 136 GLY CA . 50945 1
462 . 2 . 1 101 101 GLY N N 15 108.161 0.000 . 1 . . . . . 136 GLY N . 50945 1
463 . 2 . 1 102 102 ILE H H 1 7.534 0.000 . 1 . . . . . 137 ILE H . 50945 1
464 . 2 . 1 102 102 ILE C C 13 174.311 0.002 . 1 . . . . . 137 ILE C . 50945 1
465 . 2 . 1 102 102 ILE CA C 13 60.625 0.006 . 1 . . . . . 137 ILE CA . 50945 1
466 . 2 . 1 102 102 ILE CB C 13 38.304 0.044 . 1 . . . . . 137 ILE CB . 50945 1
467 . 2 . 1 102 102 ILE N N 15 122.453 0.000 . 1 . . . . . 137 ILE N . 50945 1
468 . 2 . 1 103 103 ALA H H 1 7.663 0.000 . 1 . . . . . 138 ALA H . 50945 1
469 . 2 . 1 103 103 ALA C C 13 176.512 0.007 . 1 . . . . . 138 ALA C . 50945 1
470 . 2 . 1 103 103 ALA CA C 13 51.817 0.017 . 1 . . . . . 138 ALA CA . 50945 1
471 . 2 . 1 103 103 ALA CB C 13 19.394 0.031 . 1 . . . . . 138 ALA CB . 50945 1
472 . 2 . 1 103 103 ALA N N 15 130.582 0.000 . 1 . . . . . 138 ALA N . 50945 1
473 . 2 . 1 104 104 THR H H 1 7.162 0.000 . 1 . . . . . 139 THR H . 50945 1
474 . 2 . 1 104 104 THR C C 13 173.393 0.032 . 1 . . . . . 139 THR C . 50945 1
475 . 2 . 1 104 104 THR CA C 13 58.754 0.020 . 1 . . . . . 139 THR CA . 50945 1
476 . 2 . 1 104 104 THR CB C 13 71.174 0.009 . 1 . . . . . 139 THR CB . 50945 1
477 . 2 . 1 104 104 THR N N 15 109.839 0.000 . 1 . . . . . 139 THR N . 50945 1
478 . 2 . 1 105 105 TYR H H 1 8.824 0.000 . 1 . . . . . 140 TYR H . 50945 1
479 . 2 . 1 105 105 TYR C C 13 173.394 0.016 . 1 . . . . . 140 TYR C . 50945 1
480 . 2 . 1 105 105 TYR CA C 13 56.503 0.008 . 1 . . . . . 140 TYR CA . 50945 1
481 . 2 . 1 105 105 TYR CB C 13 42.656 0.011 . 1 . . . . . 140 TYR CB . 50945 1
482 . 2 . 1 105 105 TYR N N 15 119.981 0.000 . 1 . . . . . 140 TYR N . 50945 1
483 . 2 . 1 106 106 ALA H H 1 8.063 0.000 . 1 . . . . . 141 ALA H . 50945 1
484 . 2 . 1 106 106 ALA C C 13 175.492 0.000 . 1 . . . . . 141 ALA C . 50945 1
485 . 2 . 1 106 106 ALA CA C 13 49.966 0.017 . 1 . . . . . 141 ALA CA . 50945 1
486 . 2 . 1 106 106 ALA CB C 13 23.097 0.034 . 1 . . . . . 141 ALA CB . 50945 1
487 . 2 . 1 106 106 ALA N N 15 119.332 0.000 . 1 . . . . . 141 ALA N . 50945 1
488 . 2 . 1 107 107 ASN H H 1 10.197 0.000 . 1 . . . . . 142 ASN H . 50945 1
489 . 2 . 1 107 107 ASN C C 13 175.698 0.018 . 1 . . . . . 142 ASN C . 50945 1
490 . 2 . 1 107 107 ASN CA C 13 53.579 0.011 . 1 . . . . . 142 ASN CA . 50945 1
491 . 2 . 1 107 107 ASN CB C 13 36.626 0.023 . 1 . . . . . 142 ASN CB . 50945 1
492 . 2 . 1 107 107 ASN N N 15 120.305 0.000 . 1 . . . . . 142 ASN N . 50945 1
493 . 2 . 1 108 108 ALA H H 1 9.270 0.000 . 1 . . . . . 143 ALA H . 50945 1
494 . 2 . 1 108 108 ALA C C 13 179.766 0.008 . 1 . . . . . 143 ALA C . 50945 1
495 . 2 . 1 108 108 ALA CA C 13 55.372 0.028 . 1 . . . . . 143 ALA CA . 50945 1
496 . 2 . 1 108 108 ALA CB C 13 17.975 0.042 . 1 . . . . . 143 ALA CB . 50945 1
497 . 2 . 1 108 108 ALA N N 15 134.335 0.000 . 1 . . . . . 143 ALA N . 50945 1
498 . 2 . 1 109 109 LEU H H 1 7.298 0.000 . 1 . . . . . 144 LEU H . 50945 1
499 . 2 . 1 109 109 LEU C C 13 178.615 0.005 . 1 . . . . . 144 LEU C . 50945 1
500 . 2 . 1 109 109 LEU CA C 13 56.618 0.016 . 1 . . . . . 144 LEU CA . 50945 1
501 . 2 . 1 109 109 LEU CB C 13 41.621 0.009 . 1 . . . . . 144 LEU CB . 50945 1
502 . 2 . 1 109 109 LEU N N 15 114.765 0.000 . 1 . . . . . 144 LEU N . 50945 1
503 . 2 . 1 110 110 SER H H 1 7.327 0.000 . 1 . . . . . 145 SER H . 50945 1
504 . 2 . 1 110 110 SER C C 13 174.783 0.000 . 1 . . . . . 145 SER C . 50945 1
505 . 2 . 1 110 110 SER CA C 13 60.574 0.022 . 1 . . . . . 145 SER CA . 50945 1
506 . 2 . 1 110 110 SER CB C 13 61.583 0.000 . 1 . . . . . 145 SER CB . 50945 1
507 . 2 . 1 110 110 SER N N 15 114.743 0.000 . 1 . . . . . 145 SER N . 50945 1
508 . 2 . 1 111 111 ASN H H 1 7.233 0.000 . 1 . . . . . 146 ASN H . 50945 1
509 . 2 . 1 111 111 ASN C C 13 176.276 0.011 . 1 . . . . . 146 ASN C . 50945 1
510 . 2 . 1 111 111 ASN CA C 13 54.561 0.033 . 1 . . . . . 146 ASN CA . 50945 1
511 . 2 . 1 111 111 ASN CB C 13 36.692 0.002 . 1 . . . . . 146 ASN CB . 50945 1
512 . 2 . 1 111 111 ASN N N 15 117.905 0.000 . 1 . . . . . 146 ASN N . 50945 1
513 . 2 . 1 112 112 GLN H H 1 7.393 0.000 . 1 . . . . . 147 GLN H . 50945 1
514 . 2 . 1 112 112 GLN C C 13 177.414 0.016 . 1 . . . . . 147 GLN C . 50945 1
515 . 2 . 1 112 112 GLN CA C 13 57.328 0.006 . 1 . . . . . 147 GLN CA . 50945 1
516 . 2 . 1 112 112 GLN CB C 13 28.174 0.044 . 1 . . . . . 147 GLN CB . 50945 1
517 . 2 . 1 112 112 GLN N N 15 119.515 0.000 . 1 . . . . . 147 GLN N . 50945 1
518 . 2 . 1 113 113 LEU H H 1 7.680 0.000 . 1 . . . . . 148 LEU H . 50945 1
519 . 2 . 1 113 113 LEU C C 13 177.971 0.010 . 1 . . . . . 148 LEU C . 50945 1
520 . 2 . 1 113 113 LEU CA C 13 56.085 0.054 . 1 . . . . . 148 LEU CA . 50945 1
521 . 2 . 1 113 113 LEU CB C 13 42.369 0.019 . 1 . . . . . 148 LEU CB . 50945 1
522 . 2 . 1 113 113 LEU N N 15 119.029 0.000 . 1 . . . . . 148 LEU N . 50945 1
523 . 2 . 1 114 114 ALA H H 1 7.945 0.000 . 1 . . . . . 149 ALA H . 50945 1
524 . 2 . 1 114 114 ALA CA C 13 57.208 0.000 . 1 . . . . . 149 ALA CA . 50945 1
525 . 2 . 1 114 114 ALA CB C 13 14.038 0.000 . 1 . . . . . 149 ALA CB . 50945 1
526 . 2 . 1 114 114 ALA N N 15 120.073 0.000 . 1 . . . . . 149 ALA N . 50945 1
527 . 2 . 1 115 115 PRO C C 13 179.750 0.000 . 1 . . . . . 150 PRO C . 50945 1
528 . 2 . 1 115 115 PRO CA C 13 65.138 0.000 . 1 . . . . . 150 PRO CA . 50945 1
529 . 2 . 1 115 115 PRO CB C 13 30.097 0.000 . 1 . . . . . 150 PRO CB . 50945 1
530 . 2 . 1 116 116 GLN H H 1 7.373 0.000 . 1 . . . . . 151 GLN H . 50945 1
531 . 2 . 1 116 116 GLN C C 13 176.647 0.010 . 1 . . . . . 151 GLN C . 50945 1
532 . 2 . 1 116 116 GLN CA C 13 57.412 0.001 . 1 . . . . . 151 GLN CA . 50945 1
533 . 2 . 1 116 116 GLN CB C 13 27.774 0.023 . 1 . . . . . 151 GLN CB . 50945 1
534 . 2 . 1 116 116 GLN N N 15 117.201 0.000 . 1 . . . . . 151 GLN N . 50945 1
535 . 2 . 1 117 117 GLU H H 1 7.500 0.000 . 1 . . . . . 152 GLU H . 50945 1
536 . 2 . 1 117 117 GLU C C 13 175.806 0.004 . 1 . . . . . 152 GLU C . 50945 1
537 . 2 . 1 117 117 GLU CA C 13 54.144 0.022 . 1 . . . . . 152 GLU CA . 50945 1
538 . 2 . 1 117 117 GLU CB C 13 29.709 0.006 . 1 . . . . . 152 GLU CB . 50945 1
539 . 2 . 1 117 117 GLU N N 15 117.292 0.000 . 1 . . . . . 152 GLU N . 50945 1
540 . 2 . 1 118 118 GLY H H 1 7.580 0.000 . 1 . . . . . 153 GLY H . 50945 1
541 . 2 . 1 118 118 GLY C C 13 173.855 0.040 . 1 . . . . . 153 GLY C . 50945 1
542 . 2 . 1 118 118 GLY CA C 13 45.342 0.006 . 1 . . . . . 153 GLY CA . 50945 1
543 . 2 . 1 118 118 GLY N N 15 107.026 0.000 . 1 . . . . . 153 GLY N . 50945 1
544 . 2 . 1 119 119 MET H H 1 7.856 0.000 . 1 . . . . . 154 MET H . 50945 1
545 . 2 . 1 119 119 MET C C 13 173.723 0.013 . 1 . . . . . 154 MET C . 50945 1
546 . 2 . 1 119 119 MET CA C 13 52.499 0.018 . 1 . . . . . 154 MET CA . 50945 1
547 . 2 . 1 119 119 MET CB C 13 35.961 0.004 . 1 . . . . . 154 MET CB . 50945 1
548 . 2 . 1 119 119 MET N N 15 119.190 0.000 . 1 . . . . . 154 MET N . 50945 1
549 . 2 . 1 120 120 VAL H H 1 8.223 0.000 . 1 . . . . . 155 VAL H . 50945 1
550 . 2 . 1 120 120 VAL C C 13 173.238 0.003 . 1 . . . . . 155 VAL C . 50945 1
551 . 2 . 1 120 120 VAL CA C 13 61.532 0.021 . 1 . . . . . 155 VAL CA . 50945 1
552 . 2 . 1 120 120 VAL CB C 13 32.451 0.029 . 1 . . . . . 155 VAL CB . 50945 1
553 . 2 . 1 120 120 VAL N N 15 123.881 0.000 . 1 . . . . . 155 VAL N . 50945 1
554 . 2 . 1 121 121 ALA H H 1 7.634 0.000 . 1 . . . . . 156 ALA H . 50945 1
555 . 2 . 1 121 121 ALA C C 13 177.755 0.000 . 1 . . . . . 156 ALA C . 50945 1
556 . 2 . 1 121 121 ALA CA C 13 51.513 0.024 . 1 . . . . . 156 ALA CA . 50945 1
557 . 2 . 1 121 121 ALA CB C 13 18.732 0.002 . 1 . . . . . 156 ALA CB . 50945 1
558 . 2 . 1 121 121 ALA N N 15 123.935 0.000 . 1 . . . . . 156 ALA N . 50945 1
559 . 2 . 1 122 122 ALA H H 1 7.536 0.000 . 1 . . . . . 157 ALA H . 50945 1
560 . 2 . 1 122 122 ALA C C 13 175.803 0.006 . 1 . . . . . 157 ALA C . 50945 1
561 . 2 . 1 122 122 ALA CA C 13 50.689 0.003 . 1 . . . . . 157 ALA CA . 50945 1
562 . 2 . 1 122 122 ALA CB C 13 18.978 0.001 . 1 . . . . . 157 ALA CB . 50945 1
563 . 2 . 1 122 122 ALA N N 15 119.481 0.000 . 1 . . . . . 157 ALA N . 50945 1
564 . 2 . 1 123 123 GLN H H 1 8.479 0.000 . 1 . . . . . 158 GLN H . 50945 1
565 . 2 . 1 123 123 GLN C C 13 175.601 0.011 . 1 . . . . . 158 GLN C . 50945 1
566 . 2 . 1 123 123 GLN CA C 13 56.807 0.011 . 1 . . . . . 158 GLN CA . 50945 1
567 . 2 . 1 123 123 GLN CB C 13 28.323 0.024 . 1 . . . . . 158 GLN CB . 50945 1
568 . 2 . 1 123 123 GLN N N 15 118.871 0.000 . 1 . . . . . 158 GLN N . 50945 1
569 . 2 . 1 124 124 HIS H H 1 7.826 0.000 . 1 . . . . . 159 HIS H . 50945 1
570 . 2 . 1 124 124 HIS C C 13 175.023 0.015 . 1 . . . . . 159 HIS C . 50945 1
571 . 2 . 1 124 124 HIS CA C 13 53.657 0.018 . 1 . . . . . 159 HIS CA . 50945 1
572 . 2 . 1 124 124 HIS CB C 13 32.405 0.039 . 1 . . . . . 159 HIS CB . 50945 1
573 . 2 . 1 124 124 HIS N N 15 114.987 0.000 . 1 . . . . . 159 HIS N . 50945 1
574 . 2 . 1 125 125 SER H H 1 8.942 0.000 . 1 . . . . . 160 SER H . 50945 1
575 . 2 . 1 125 125 SER C C 13 173.369 0.003 . 1 . . . . . 160 SER C . 50945 1
576 . 2 . 1 125 125 SER CA C 13 56.939 0.020 . 1 . . . . . 160 SER CA . 50945 1
577 . 2 . 1 125 125 SER CB C 13 64.476 0.046 . 1 . . . . . 160 SER CB . 50945 1
578 . 2 . 1 125 125 SER N N 15 119.074 0.000 . 1 . . . . . 160 SER N . 50945 1
579 . 2 . 1 126 126 LEU H H 1 9.095 0.000 . 1 . . . . . 161 LEU H . 50945 1
580 . 2 . 1 126 126 LEU C C 13 175.227 0.005 . 1 . . . . . 161 LEU C . 50945 1
581 . 2 . 1 126 126 LEU CA C 13 52.983 0.062 . 1 . . . . . 161 LEU CA . 50945 1
582 . 2 . 1 126 126 LEU CB C 13 43.250 0.035 . 1 . . . . . 161 LEU CB . 50945 1
583 . 2 . 1 126 126 LEU N N 15 126.086 0.000 . 1 . . . . . 161 LEU N . 50945 1
584 . 2 . 1 127 127 THR H H 1 7.419 0.000 . 1 . . . . . 162 THR H . 50945 1
585 . 2 . 1 127 127 THR C C 13 171.713 0.003 . 1 . . . . . 162 THR C . 50945 1
586 . 2 . 1 127 127 THR CA C 13 59.661 0.021 . 1 . . . . . 162 THR CA . 50945 1
587 . 2 . 1 127 127 THR CB C 13 69.934 0.023 . 1 . . . . . 162 THR CB . 50945 1
588 . 2 . 1 127 127 THR N N 15 113.045 0.000 . 1 . . . . . 162 THR N . 50945 1
589 . 2 . 1 128 128 PHE H H 1 8.588 0.000 . 1 . . . . . 163 PHE H . 50945 1
590 . 2 . 1 128 128 PHE C C 13 174.802 0.001 . 1 . . . . . 163 PHE C . 50945 1
591 . 2 . 1 128 128 PHE CA C 13 57.380 0.030 . 1 . . . . . 163 PHE CA . 50945 1
592 . 2 . 1 128 128 PHE CB C 13 41.293 0.042 . 1 . . . . . 163 PHE CB . 50945 1
593 . 2 . 1 128 128 PHE N N 15 118.723 0.000 . 1 . . . . . 163 PHE N . 50945 1
594 . 2 . 1 129 129 ALA H H 1 8.653 0.000 . 1 . . . . . 164 ALA H . 50945 1
595 . 2 . 1 129 129 ALA C C 13 178.395 0.000 . 1 . . . . . 164 ALA C . 50945 1
596 . 2 . 1 129 129 ALA CA C 13 50.656 0.000 . 1 . . . . . 164 ALA CA . 50945 1
597 . 2 . 1 129 129 ALA CB C 13 19.522 0.000 . 1 . . . . . 164 ALA CB . 50945 1
598 . 2 . 1 129 129 ALA N N 15 125.247 0.000 . 1 . . . . . 164 ALA N . 50945 1
599 . 2 . 1 130 130 ALA C C 13 177.827 0.000 . 1 . . . . . 165 ALA C . 50945 1
600 . 2 . 1 130 130 ALA CA C 13 54.385 0.000 . 1 . . . . . 165 ALA CA . 50945 1
601 . 2 . 1 130 130 ALA CB C 13 17.217 0.000 . 1 . . . . . 165 ALA CB . 50945 1
602 . 2 . 1 131 131 ASN H H 1 7.582 0.000 . 1 . . . . . 166 ASN H . 50945 1
603 . 2 . 1 131 131 ASN C C 13 175.161 0.000 . 1 . . . . . 166 ASN C . 50945 1
604 . 2 . 1 131 131 ASN CA C 13 51.799 0.007 . 1 . . . . . 166 ASN CA . 50945 1
605 . 2 . 1 131 131 ASN CB C 13 36.850 0.023 . 1 . . . . . 166 ASN CB . 50945 1
606 . 2 . 1 131 131 ASN N N 15 112.178 0.000 . 1 . . . . . 166 ASN N . 50945 1
607 . 2 . 1 132 132 GLY H H 1 7.954 0.000 . 1 . . . . . 167 GLY H . 50945 1
608 . 2 . 1 132 132 GLY C C 13 173.508 0.006 . 1 . . . . . 167 GLY C . 50945 1
609 . 2 . 1 132 132 GLY CA C 13 45.396 0.002 . 1 . . . . . 167 GLY CA . 50945 1
610 . 2 . 1 132 132 GLY N N 15 107.690 0.000 . 1 . . . . . 167 GLY N . 50945 1
611 . 2 . 1 133 133 TRP H H 1 7.585 0.000 . 1 . . . . . 168 TRP H . 50945 1
612 . 2 . 1 133 133 TRP C C 13 176.792 0.005 . 1 . . . . . 168 TRP C . 50945 1
613 . 2 . 1 133 133 TRP CA C 13 57.359 0.031 . 1 . . . . . 168 TRP CA . 50945 1
614 . 2 . 1 133 133 TRP CB C 13 29.230 0.008 . 1 . . . . . 168 TRP CB . 50945 1
615 . 2 . 1 133 133 TRP N N 15 121.641 0.000 . 1 . . . . . 168 TRP N . 50945 1
616 . 2 . 1 134 134 VAL H H 1 8.069 0.000 . 1 . . . . . 169 VAL H . 50945 1
617 . 2 . 1 134 134 VAL C C 13 173.871 0.006 . 1 . . . . . 169 VAL C . 50945 1
618 . 2 . 1 134 134 VAL CA C 13 61.398 0.013 . 1 . . . . . 169 VAL CA . 50945 1
619 . 2 . 1 134 134 VAL CB C 13 31.736 0.060 . 1 . . . . . 169 VAL CB . 50945 1
620 . 2 . 1 134 134 VAL N N 15 122.302 0.000 . 1 . . . . . 169 VAL N . 50945 1
621 . 2 . 1 135 135 GLU H H 1 8.592 0.000 . 1 . . . . . 170 GLU H . 50945 1
622 . 2 . 1 135 135 GLU C C 13 176.092 0.000 . 1 . . . . . 170 GLU C . 50945 1
623 . 2 . 1 135 135 GLU CA C 13 53.659 0.000 . 1 . . . . . 170 GLU CA . 50945 1
624 . 2 . 1 135 135 GLU CB C 13 28.205 0.000 . 1 . . . . . 170 GLU CB . 50945 1
625 . 2 . 1 135 135 GLU N N 15 128.835 0.000 . 1 . . . . . 170 GLU N . 50945 1
626 . 2 . 1 136 136 PRO C C 13 177.932 0.000 . 1 . . . . . 171 PRO C . 50945 1
627 . 2 . 1 136 136 PRO CA C 13 64.945 0.000 . 1 . . . . . 171 PRO CA . 50945 1
628 . 2 . 1 136 136 PRO CB C 13 31.547 0.000 . 1 . . . . . 171 PRO CB . 50945 1
629 . 2 . 1 137 137 ALA H H 1 8.615 0.000 . 1 . . . . . 172 ALA H . 50945 1
630 . 2 . 1 137 137 ALA C C 13 178.488 0.005 . 1 . . . . . 172 ALA C . 50945 1
631 . 2 . 1 137 137 ALA CA C 13 53.855 0.029 . 1 . . . . . 172 ALA CA . 50945 1
632 . 2 . 1 137 137 ALA CB C 13 17.943 0.021 . 1 . . . . . 172 ALA CB . 50945 1
633 . 2 . 1 137 137 ALA N N 15 118.928 0.000 . 1 . . . . . 172 ALA N . 50945 1
634 . 2 . 1 138 138 THR H H 1 7.805 0.000 . 1 . . . . . 173 THR H . 50945 1
635 . 2 . 1 138 138 THR C C 13 171.495 0.011 . 1 . . . . . 173 THR C . 50945 1
636 . 2 . 1 138 138 THR CA C 13 60.567 0.042 . 1 . . . . . 173 THR CA . 50945 1
637 . 2 . 1 138 138 THR CB C 13 69.708 0.030 . 1 . . . . . 173 THR CB . 50945 1
638 . 2 . 1 138 138 THR N N 15 105.192 0.000 . 1 . . . . . 173 THR N . 50945 1
639 . 2 . 1 139 139 ALA H H 1 6.769 0.000 . 1 . . . . . 174 ALA H . 50945 1
640 . 2 . 1 139 139 ALA C C 13 172.269 0.000 . 1 . . . . . 174 ALA C . 50945 1
641 . 2 . 1 139 139 ALA CA C 13 48.573 0.000 . 1 . . . . . 174 ALA CA . 50945 1
642 . 2 . 1 139 139 ALA CB C 13 18.253 0.000 . 1 . . . . . 174 ALA CB . 50945 1
643 . 2 . 1 139 139 ALA N N 15 124.526 0.000 . 1 . . . . . 174 ALA N . 50945 1
644 . 2 . 1 140 140 PRO C C 13 176.316 0.000 . 1 . . . . . 175 PRO C . 50945 1
645 . 2 . 1 140 140 PRO CA C 13 62.009 0.000 . 1 . . . . . 175 PRO CA . 50945 1
646 . 2 . 1 140 140 PRO CB C 13 30.977 0.000 . 1 . . . . . 175 PRO CB . 50945 1
647 . 2 . 1 141 141 ASN H H 1 8.547 0.000 . 1 . . . . . 176 ASN H . 50945 1
648 . 2 . 1 141 141 ASN C C 13 175.118 0.009 . 1 . . . . . 176 ASN C . 50945 1
649 . 2 . 1 141 141 ASN CA C 13 52.668 0.003 . 1 . . . . . 176 ASN CA . 50945 1
650 . 2 . 1 141 141 ASN CB C 13 36.549 0.016 . 1 . . . . . 176 ASN CB . 50945 1
651 . 2 . 1 141 141 ASN N N 15 116.096 0.000 . 1 . . . . . 176 ASN N . 50945 1
652 . 2 . 1 142 142 PHE H H 1 8.036 0.000 . 1 . . . . . 177 PHE H . 50945 1
653 . 2 . 1 142 142 PHE C C 13 175.950 0.011 . 1 . . . . . 177 PHE C . 50945 1
654 . 2 . 1 142 142 PHE CA C 13 57.986 0.068 . 1 . . . . . 177 PHE CA . 50945 1
655 . 2 . 1 142 142 PHE CB C 13 37.837 0.035 . 1 . . . . . 177 PHE CB . 50945 1
656 . 2 . 1 142 142 PHE N N 15 122.679 0.000 . 1 . . . . . 177 PHE N . 50945 1
657 . 2 . 1 143 143 GLY H H 1 8.278 0.000 . 1 . . . . . 178 GLY H . 50945 1
658 . 2 . 1 143 143 GLY C C 13 172.660 0.000 . 1 . . . . . 178 GLY C . 50945 1
659 . 2 . 1 143 143 GLY CA C 13 44.344 0.000 . 1 . . . . . 178 GLY CA . 50945 1
660 . 2 . 1 143 143 GLY N N 15 108.280 0.000 . 1 . . . . . 178 GLY N . 50945 1
661 . 2 . 1 144 144 PRO C C 13 175.357 0.000 . 1 . . . . . 179 PRO C . 50945 1
662 . 2 . 1 144 144 PRO CA C 13 62.409 0.000 . 1 . . . . . 179 PRO CA . 50945 1
663 . 2 . 1 144 144 PRO CB C 13 32.045 0.000 . 1 . . . . . 179 PRO CB . 50945 1
664 . 2 . 1 145 145 LEU H H 1 7.687 0.000 . 1 . . . . . 180 LEU H . 50945 1
665 . 2 . 1 145 145 LEU C C 13 175.023 0.004 . 1 . . . . . 180 LEU C . 50945 1
666 . 2 . 1 145 145 LEU CA C 13 54.868 0.020 . 1 . . . . . 180 LEU CA . 50945 1
667 . 2 . 1 145 145 LEU CB C 13 40.649 0.026 . 1 . . . . . 180 LEU CB . 50945 1
668 . 2 . 1 145 145 LEU N N 15 120.124 0.000 . 1 . . . . . 180 LEU N . 50945 1
669 . 2 . 1 146 146 LYS H H 1 8.988 0.000 . 1 . . . . . 181 LYS H . 50945 1
670 . 2 . 1 146 146 LYS C C 13 175.344 0.001 . 1 . . . . . 181 LYS C . 50945 1
671 . 2 . 1 146 146 LYS CA C 13 53.572 0.015 . 1 . . . . . 181 LYS CA . 50945 1
672 . 2 . 1 146 146 LYS CB C 13 32.493 0.006 . 1 . . . . . 181 LYS CB . 50945 1
673 . 2 . 1 146 146 LYS N N 15 127.559 0.000 . 1 . . . . . 181 LYS N . 50945 1
674 . 2 . 1 147 147 VAL H H 1 8.404 0.000 . 1 . . . . . 182 VAL H . 50945 1
675 . 2 . 1 147 147 VAL C C 13 172.663 0.005 . 1 . . . . . 182 VAL C . 50945 1
676 . 2 . 1 147 147 VAL CA C 13 62.606 0.012 . 1 . . . . . 182 VAL CA . 50945 1
677 . 2 . 1 147 147 VAL CB C 13 32.103 0.009 . 1 . . . . . 182 VAL CB . 50945 1
678 . 2 . 1 147 147 VAL N N 15 124.545 0.000 . 1 . . . . . 182 VAL N . 50945 1
679 . 2 . 1 148 148 PHE H H 1 8.709 0.000 . 1 . . . . . 183 PHE H . 50945 1
680 . 2 . 1 148 148 PHE C C 13 173.566 0.007 . 1 . . . . . 183 PHE C . 50945 1
681 . 2 . 1 148 148 PHE CA C 13 55.574 0.055 . 1 . . . . . 183 PHE CA . 50945 1
682 . 2 . 1 148 148 PHE CB C 13 43.153 0.007 . 1 . . . . . 183 PHE CB . 50945 1
683 . 2 . 1 148 148 PHE N N 15 128.130 0.000 . 1 . . . . . 183 PHE N . 50945 1
684 . 2 . 1 149 149 TYR H H 1 9.149 0.000 . 1 . . . . . 184 TYR H . 50945 1
685 . 2 . 1 149 149 TYR C C 13 170.858 0.000 . 1 . . . . . 184 TYR C . 50945 1
686 . 2 . 1 149 149 TYR CA C 13 51.785 0.000 . 1 . . . . . 184 TYR CA . 50945 1
687 . 2 . 1 149 149 TYR CB C 13 36.762 0.000 . 1 . . . . . 184 TYR CB . 50945 1
688 . 2 . 1 149 149 TYR N N 15 133.985 0.000 . 1 . . . . . 184 TYR N . 50945 1
689 . 2 . 1 152 152 PRO C C 13 176.803 0.000 . 1 . . . . . 187 PRO C . 50945 1
690 . 2 . 1 152 152 PRO CA C 13 61.701 0.000 . 1 . . . . . 187 PRO CA . 50945 1
691 . 2 . 1 152 152 PRO CB C 13 33.089 0.000 . 1 . . . . . 187 PRO CB . 50945 1
692 . 2 . 1 153 153 GLY H H 1 7.440 0.000 . 1 . . . . . 188 GLY H . 50945 1
693 . 2 . 1 153 153 GLY C C 13 184.939 0.000 . 1 . . . . . 188 GLY C . 50945 1
694 . 2 . 1 153 153 GLY CA C 13 46.515 0.031 . 1 . . . . . 188 GLY CA . 50945 1
695 . 2 . 1 153 153 GLY N N 15 108.291 0.000 . 1 . . . . . 188 GLY N . 50945 1
696 . 2 . 1 154 154 HIS H H 1 7.109 0.000 . 1 . . . . . 189 HIS H . 50945 1
697 . 2 . 1 154 154 HIS C C 13 172.757 0.015 . 1 . . . . . 189 HIS C . 50945 1
698 . 2 . 1 154 154 HIS CA C 13 59.952 0.015 . 1 . . . . . 189 HIS CA . 50945 1
699 . 2 . 1 154 154 HIS CB C 13 26.317 0.011 . 1 . . . . . 189 HIS CB . 50945 1
700 . 2 . 1 154 154 HIS N N 15 132.195 0.000 . 1 . . . . . 189 HIS N . 50945 1
701 . 2 . 1 155 155 THR H H 1 7.292 0.000 . 1 . . . . . 190 THR H . 50945 1
702 . 2 . 1 155 155 THR C C 13 176.348 0.003 . 1 . . . . . 190 THR C . 50945 1
703 . 2 . 1 155 155 THR CA C 13 59.098 0.033 . 1 . . . . . 190 THR CA . 50945 1
704 . 2 . 1 155 155 THR CB C 13 72.418 0.002 . 1 . . . . . 190 THR CB . 50945 1
705 . 2 . 1 155 155 THR N N 15 103.046 0.000 . 1 . . . . . 190 THR N . 50945 1
706 . 2 . 1 156 156 SER H H 1 9.328 0.000 . 1 . . . . . 191 SER H . 50945 1
707 . 2 . 1 156 156 SER C C 13 173.481 0.000 . 1 . . . . . 191 SER C . 50945 1
708 . 2 . 1 156 156 SER CA C 13 61.011 0.014 . 1 . . . . . 191 SER CA . 50945 1
709 . 2 . 1 156 156 SER CB C 13 62.285 0.035 . 1 . . . . . 191 SER CB . 50945 1
710 . 2 . 1 156 156 SER N N 15 116.187 0.000 . 1 . . . . . 191 SER N . 50945 1
711 . 2 . 1 157 157 ASP H H 1 9.120 0.000 . 1 . . . . . 192 ASP H . 50945 1
712 . 2 . 1 157 157 ASP C C 13 174.049 0.001 . 1 . . . . . 192 ASP C . 50945 1
713 . 2 . 1 157 157 ASP CA C 13 52.286 0.013 . 1 . . . . . 192 ASP CA . 50945 1
714 . 2 . 1 157 157 ASP CB C 13 39.830 0.030 . 1 . . . . . 192 ASP CB . 50945 1
715 . 2 . 1 157 157 ASP N N 15 114.116 0.000 . 1 . . . . . 192 ASP N . 50945 1
716 . 2 . 1 158 158 ASN H H 1 6.481 0.000 . 1 . . . . . 193 ASN H . 50945 1
717 . 2 . 1 158 158 ASN C C 13 174.610 0.019 . 1 . . . . . 193 ASN C . 50945 1
718 . 2 . 1 158 158 ASN CA C 13 53.891 0.017 . 1 . . . . . 193 ASN CA . 50945 1
719 . 2 . 1 158 158 ASN CB C 13 38.226 0.039 . 1 . . . . . 193 ASN CB . 50945 1
720 . 2 . 1 158 158 ASN N N 15 116.555 0.000 . 1 . . . . . 193 ASN N . 50945 1
721 . 2 . 1 159 159 ILE H H 1 8.522 0.000 . 1 . . . . . 194 ILE H . 50945 1
722 . 2 . 1 159 159 ILE C C 13 174.150 0.000 . 1 . . . . . 194 ILE C . 50945 1
723 . 2 . 1 159 159 ILE CA C 13 59.454 0.018 . 1 . . . . . 194 ILE CA . 50945 1
724 . 2 . 1 159 159 ILE CB C 13 41.363 0.001 . 1 . . . . . 194 ILE CB . 50945 1
725 . 2 . 1 159 159 ILE N N 15 114.182 0.000 . 1 . . . . . 194 ILE N . 50945 1
726 . 2 . 1 160 160 THR H H 1 8.797 0.000 . 1 . . . . . 195 THR H . 50945 1
727 . 2 . 1 160 160 THR C C 13 172.339 0.008 . 1 . . . . . 195 THR C . 50945 1
728 . 2 . 1 160 160 THR CA C 13 59.637 0.012 . 1 . . . . . 195 THR CA . 50945 1
729 . 2 . 1 160 160 THR CB C 13 71.811 0.029 . 1 . . . . . 195 THR CB . 50945 1
730 . 2 . 1 160 160 THR N N 15 110.838 0.000 . 1 . . . . . 195 THR N . 50945 1
731 . 2 . 1 161 161 VAL H H 1 8.310 0.001 . 1 . . . . . 196 VAL H . 50945 1
732 . 2 . 1 161 161 VAL C C 13 172.942 0.001 . 1 . . . . . 196 VAL C . 50945 1
733 . 2 . 1 161 161 VAL CA C 13 59.826 0.007 . 1 . . . . . 196 VAL CA . 50945 1
734 . 2 . 1 161 161 VAL CB C 13 36.837 0.017 . 1 . . . . . 196 VAL CB . 50945 1
735 . 2 . 1 161 161 VAL N N 15 116.164 0.000 . 1 . . . . . 196 VAL N . 50945 1
736 . 2 . 1 162 162 GLY H H 1 9.516 0.000 . 1 . . . . . 197 GLY H . 50945 1
737 . 2 . 1 162 162 GLY C C 13 171.249 0.030 . 1 . . . . . 197 GLY C . 50945 1
738 . 2 . 1 162 162 GLY CA C 13 42.600 0.007 . 1 . . . . . 197 GLY CA . 50945 1
739 . 2 . 1 162 162 GLY N N 15 116.646 0.000 . 1 . . . . . 197 GLY N . 50945 1
740 . 2 . 1 163 163 ILE H H 1 6.905 0.000 . 1 . . . . . 198 ILE H . 50945 1
741 . 2 . 1 163 163 ILE C C 13 175.215 0.031 . 1 . . . . . 198 ILE C . 50945 1
742 . 2 . 1 163 163 ILE CA C 13 58.939 0.001 . 1 . . . . . 198 ILE CA . 50945 1
743 . 2 . 1 163 163 ILE CB C 13 35.634 0.001 . 1 . . . . . 198 ILE CB . 50945 1
744 . 2 . 1 163 163 ILE N N 15 119.270 0.000 . 1 . . . . . 198 ILE N . 50945 1
745 . 2 . 1 164 164 ASP H H 1 9.624 0.000 . 1 . . . . . 199 ASP H . 50945 1
746 . 2 . 1 164 164 ASP C C 13 175.521 0.000 . 1 . . . . . 199 ASP C . 50945 1
747 . 2 . 1 164 164 ASP CA C 13 55.840 0.000 . 1 . . . . . 199 ASP CA . 50945 1
748 . 2 . 1 164 164 ASP CB C 13 40.979 0.000 . 1 . . . . . 199 ASP CB . 50945 1
749 . 2 . 1 164 164 ASP N N 15 131.739 0.000 . 1 . . . . . 199 ASP N . 50945 1
750 . 2 . 1 165 165 GLY C C 13 173.025 0.053 . 1 . . . . . 200 GLY C . 50945 1
751 . 2 . 1 165 165 GLY CA C 13 44.420 0.000 . 1 . . . . . 200 GLY CA . 50945 1
752 . 2 . 1 166 166 THR H H 1 7.755 0.000 . 1 . . . . . 201 THR H . 50945 1
753 . 2 . 1 166 166 THR C C 13 173.055 0.023 . 1 . . . . . 201 THR C . 50945 1
754 . 2 . 1 166 166 THR CA C 13 59.313 0.005 . 1 . . . . . 201 THR CA . 50945 1
755 . 2 . 1 166 166 THR CB C 13 72.015 0.015 . 1 . . . . . 201 THR CB . 50945 1
756 . 2 . 1 166 166 THR N N 15 109.065 0.000 . 1 . . . . . 201 THR N . 50945 1
757 . 2 . 1 167 167 ASP H H 1 8.719 0.000 . 1 . . . . . 202 ASP H . 50945 1
758 . 2 . 1 167 167 ASP C C 13 174.756 0.020 . 1 . . . . . 202 ASP C . 50945 1
759 . 2 . 1 167 167 ASP CA C 13 53.012 0.014 . 1 . . . . . 202 ASP CA . 50945 1
760 . 2 . 1 167 167 ASP CB C 13 40.515 0.056 . 1 . . . . . 202 ASP CB . 50945 1
761 . 2 . 1 167 167 ASP N N 15 119.587 0.000 . 1 . . . . . 202 ASP N . 50945 1
762 . 2 . 1 168 168 ILE H H 1 8.209 0.000 . 1 . . . . . 203 ILE H . 50945 1
763 . 2 . 1 168 168 ILE C C 13 175.951 0.006 . 1 . . . . . 203 ILE C . 50945 1
764 . 2 . 1 168 168 ILE CA C 13 61.129 0.027 . 1 . . . . . 203 ILE CA . 50945 1
765 . 2 . 1 168 168 ILE CB C 13 39.377 0.010 . 1 . . . . . 203 ILE CB . 50945 1
766 . 2 . 1 168 168 ILE N N 15 119.614 0.000 . 1 . . . . . 203 ILE N . 50945 1
767 . 2 . 1 169 169 ALA H H 1 8.448 0.000 . 1 . . . . . 204 ALA H . 50945 1
768 . 2 . 1 169 169 ALA C C 13 173.249 0.008 . 1 . . . . . 204 ALA C . 50945 1
769 . 2 . 1 169 169 ALA CA C 13 51.157 0.037 . 1 . . . . . 204 ALA CA . 50945 1
770 . 2 . 1 169 169 ALA CB C 13 21.194 0.019 . 1 . . . . . 204 ALA CB . 50945 1
771 . 2 . 1 169 169 ALA N N 15 128.339 0.000 . 1 . . . . . 204 ALA N . 50945 1
772 . 2 . 1 170 170 PHE H H 1 9.696 0.000 . 1 . . . . . 205 PHE H . 50945 1
773 . 2 . 1 170 170 PHE C C 13 173.834 0.012 . 1 . . . . . 205 PHE C . 50945 1
774 . 2 . 1 170 170 PHE CA C 13 54.753 0.001 . 1 . . . . . 205 PHE CA . 50945 1
775 . 2 . 1 170 170 PHE CB C 13 40.885 0.029 . 1 . . . . . 205 PHE CB . 50945 1
776 . 2 . 1 170 170 PHE N N 15 122.655 0.000 . 1 . . . . . 205 PHE N . 50945 1
777 . 2 . 1 171 171 GLY H H 1 8.797 0.000 . 1 . . . . . 206 GLY H . 50945 1
778 . 2 . 1 171 171 GLY C C 13 173.686 0.000 . 1 . . . . . 206 GLY C . 50945 1
779 . 2 . 1 171 171 GLY CA C 13 43.363 0.000 . 1 . . . . . 206 GLY CA . 50945 1
780 . 2 . 1 171 171 GLY N N 15 112.106 0.000 . 1 . . . . . 206 GLY N . 50945 1
781 . 2 . 1 173 173 CYS C C 13 173.526 0.000 . 1 . . . . . 208 CYS C . 50945 1
782 . 2 . 1 173 173 CYS CA C 13 58.667 0.000 . 1 . . . . . 208 CYS CA . 50945 1
783 . 2 . 1 173 173 CYS CB C 13 25.180 0.000 . 1 . . . . . 208 CYS CB . 50945 1
784 . 2 . 1 174 174 LEU H H 1 6.798 0.000 . 1 . . . . . 209 LEU H . 50945 1
785 . 2 . 1 174 174 LEU C C 13 175.443 0.015 . 1 . . . . . 209 LEU C . 50945 1
786 . 2 . 1 174 174 LEU CA C 13 56.137 0.000 . 1 . . . . . 209 LEU CA . 50945 1
787 . 2 . 1 174 174 LEU CB C 13 42.489 0.000 . 1 . . . . . 209 LEU CB . 50945 1
788 . 2 . 1 174 174 LEU N N 15 116.364 0.000 . 1 . . . . . 209 LEU N . 50945 1
789 . 2 . 1 175 175 ILE H H 1 5.630 0.000 . 1 . . . . . 210 ILE H . 50945 1
790 . 2 . 1 175 175 ILE C C 13 171.482 0.032 . 1 . . . . . 210 ILE C . 50945 1
791 . 2 . 1 175 175 ILE CA C 13 56.135 0.033 . 1 . . . . . 210 ILE CA . 50945 1
792 . 2 . 1 175 175 ILE CB C 13 37.019 0.000 . 1 . . . . . 210 ILE CB . 50945 1
793 . 2 . 1 175 175 ILE N N 15 115.434 0.000 . 1 . . . . . 210 ILE N . 50945 1
794 . 2 . 1 176 176 LYS H H 1 8.074 0.000 . 1 . . . . . 211 LYS H . 50945 1
795 . 2 . 1 176 176 LYS C C 13 173.721 0.012 . 1 . . . . . 211 LYS C . 50945 1
796 . 2 . 1 176 176 LYS CA C 13 52.321 0.020 . 1 . . . . . 211 LYS CA . 50945 1
797 . 2 . 1 176 176 LYS CB C 13 33.037 0.044 . 1 . . . . . 211 LYS CB . 50945 1
798 . 2 . 1 176 176 LYS N N 15 125.288 0.000 . 1 . . . . . 211 LYS N . 50945 1
799 . 2 . 1 177 177 ASP H H 1 6.856 0.000 . 1 . . . . . 212 ASP H . 50945 1
800 . 2 . 1 177 177 ASP C C 13 175.085 0.026 . 1 . . . . . 212 ASP C . 50945 1
801 . 2 . 1 177 177 ASP CA C 13 53.471 0.005 . 1 . . . . . 212 ASP CA . 50945 1
802 . 2 . 1 177 177 ASP CB C 13 41.636 0.004 . 1 . . . . . 212 ASP CB . 50945 1
803 . 2 . 1 177 177 ASP N N 15 112.711 0.000 . 1 . . . . . 212 ASP N . 50945 1
804 . 2 . 1 178 178 SER H H 1 8.600 0.000 . 1 . . . . . 213 SER H . 50945 1
805 . 2 . 1 178 178 SER C C 13 172.792 0.000 . 1 . . . . . 213 SER C . 50945 1
806 . 2 . 1 178 178 SER CA C 13 60.496 0.064 . 1 . . . . . 213 SER CA . 50945 1
807 . 2 . 1 178 178 SER CB C 13 62.388 0.010 . 1 . . . . . 213 SER CB . 50945 1
808 . 2 . 1 178 178 SER N N 15 110.673 0.000 . 1 . . . . . 213 SER N . 50945 1
809 . 2 . 1 179 179 LYS H H 1 7.955 0.000 . 1 . . . . . 214 LYS H . 50945 1
810 . 2 . 1 179 179 LYS C C 13 176.258 0.008 . 1 . . . . . 214 LYS C . 50945 1
811 . 2 . 1 179 179 LYS CA C 13 54.282 0.008 . 1 . . . . . 214 LYS CA . 50945 1
812 . 2 . 1 179 179 LYS CB C 13 31.479 0.013 . 1 . . . . . 214 LYS CB . 50945 1
813 . 2 . 1 179 179 LYS N N 15 119.779 0.000 . 1 . . . . . 214 LYS N . 50945 1
814 . 2 . 1 180 180 ALA H H 1 7.502 0.000 . 1 . . . . . 215 ALA H . 50945 1
815 . 2 . 1 180 180 ALA C C 13 178.112 0.000 . 1 . . . . . 215 ALA C . 50945 1
816 . 2 . 1 180 180 ALA CA C 13 52.813 0.000 . 1 . . . . . 215 ALA CA . 50945 1
817 . 2 . 1 180 180 ALA CB C 13 19.731 0.000 . 1 . . . . . 215 ALA CB . 50945 1
818 . 2 . 1 180 180 ALA N N 15 125.436 0.000 . 1 . . . . . 215 ALA N . 50945 1
819 . 2 . 1 181 181 LYS C C 13 175.661 0.000 . 1 . . . . . 216 LYS C . 50945 1
820 . 2 . 1 181 181 LYS CA C 13 55.021 0.000 . 1 . . . . . 216 LYS CA . 50945 1
821 . 2 . 1 181 181 LYS CB C 13 33.837 0.000 . 1 . . . . . 216 LYS CB . 50945 1
822 . 2 . 1 182 182 SER H H 1 7.270 0.000 . 1 . . . . . 217 SER H . 50945 1
823 . 2 . 1 182 182 SER CA C 13 54.801 0.000 . 1 . . . . . 217 SER CA . 50945 1
824 . 2 . 1 182 182 SER N N 15 111.685 0.000 . 1 . . . . . 217 SER N . 50945 1
825 . 2 . 1 186 186 LEU C C 13 178.271 0.000 . 1 . . . . . 221 LEU C . 50945 1
826 . 2 . 1 186 186 LEU CA C 13 53.609 0.000 . 1 . . . . . 221 LEU CA . 50945 1
827 . 2 . 1 186 186 LEU CB C 13 41.333 0.000 . 1 . . . . . 221 LEU CB . 50945 1
828 . 2 . 1 187 187 GLY H H 1 8.438 0.000 . 1 . . . . . 222 GLY H . 50945 1
829 . 2 . 1 187 187 GLY C C 13 173.746 0.001 . 1 . . . . . 222 GLY C . 50945 1
830 . 2 . 1 187 187 GLY CA C 13 47.246 0.009 . 1 . . . . . 222 GLY CA . 50945 1
831 . 2 . 1 187 187 GLY N N 15 110.107 0.000 . 1 . . . . . 222 GLY N . 50945 1
832 . 2 . 1 188 188 ASP H H 1 7.987 0.000 . 1 . . . . . 223 ASP H . 50945 1
833 . 2 . 1 188 188 ASP C C 13 174.185 0.013 . 1 . . . . . 223 ASP C . 50945 1
834 . 2 . 1 188 188 ASP CA C 13 52.752 0.012 . 1 . . . . . 223 ASP CA . 50945 1
835 . 2 . 1 188 188 ASP CB C 13 41.816 0.010 . 1 . . . . . 223 ASP CB . 50945 1
836 . 2 . 1 188 188 ASP N N 15 118.886 0.000 . 1 . . . . . 223 ASP N . 50945 1
837 . 2 . 1 189 189 ALA H H 1 7.156 0.000 . 1 . . . . . 224 ALA H . 50945 1
838 . 2 . 1 189 189 ALA C C 13 176.591 0.026 . 1 . . . . . 224 ALA C . 50945 1
839 . 2 . 1 189 189 ALA CA C 13 51.429 0.027 . 1 . . . . . 224 ALA CA . 50945 1
840 . 2 . 1 189 189 ALA CB C 13 20.754 0.020 . 1 . . . . . 224 ALA CB . 50945 1
841 . 2 . 1 189 189 ALA N N 15 122.018 0.000 . 1 . . . . . 224 ALA N . 50945 1
842 . 2 . 1 190 190 ASP H H 1 8.195 0.000 . 1 . . . . . 225 ASP H . 50945 1
843 . 2 . 1 190 190 ASP C C 13 175.986 0.010 . 1 . . . . . 225 ASP C . 50945 1
844 . 2 . 1 190 190 ASP CA C 13 51.453 0.010 . 1 . . . . . 225 ASP CA . 50945 1
845 . 2 . 1 190 190 ASP CB C 13 40.796 0.015 . 1 . . . . . 225 ASP CB . 50945 1
846 . 2 . 1 190 190 ASP N N 15 120.469 0.000 . 1 . . . . . 225 ASP N . 50945 1
847 . 2 . 1 191 191 THR H H 1 8.210 0.000 . 1 . . . . . 226 THR H . 50945 1
848 . 2 . 1 191 191 THR C C 13 175.077 0.012 . 1 . . . . . 226 THR C . 50945 1
849 . 2 . 1 191 191 THR CA C 13 64.388 0.047 . 1 . . . . . 226 THR CA . 50945 1
850 . 2 . 1 191 191 THR CB C 13 67.156 0.009 . 1 . . . . . 226 THR CB . 50945 1
851 . 2 . 1 191 191 THR N N 15 114.227 0.000 . 1 . . . . . 226 THR N . 50945 1
852 . 2 . 1 192 192 GLU H H 1 7.900 0.000 . 1 . . . . . 227 GLU H . 50945 1
853 . 2 . 1 192 192 GLU C C 13 177.420 0.013 . 1 . . . . . 227 GLU C . 50945 1
854 . 2 . 1 192 192 GLU CA C 13 57.782 0.044 . 1 . . . . . 227 GLU CA . 50945 1
855 . 2 . 1 192 192 GLU CB C 13 28.854 0.024 . 1 . . . . . 227 GLU CB . 50945 1
856 . 2 . 1 192 192 GLU N N 15 121.752 0.000 . 1 . . . . . 227 GLU N . 50945 1
857 . 2 . 1 193 193 HIS H H 1 7.555 0.000 . 1 . . . . . 228 HIS H . 50945 1
858 . 2 . 1 193 193 HIS C C 13 174.042 0.027 . 1 . . . . . 228 HIS C . 50945 1
859 . 2 . 1 193 193 HIS CA C 13 56.543 0.038 . 1 . . . . . 228 HIS CA . 50945 1
860 . 2 . 1 193 193 HIS CB C 13 29.615 0.026 . 1 . . . . . 228 HIS CB . 50945 1
861 . 2 . 1 193 193 HIS N N 15 114.210 0.000 . 1 . . . . . 228 HIS N . 50945 1
862 . 2 . 1 194 194 TYR H H 1 7.347 0.000 . 1 . . . . . 229 TYR H . 50945 1
863 . 2 . 1 194 194 TYR C C 13 177.606 0.021 . 1 . . . . . 229 TYR C . 50945 1
864 . 2 . 1 194 194 TYR CA C 13 60.907 0.055 . 1 . . . . . 229 TYR CA . 50945 1
865 . 2 . 1 194 194 TYR CB C 13 36.621 0.024 . 1 . . . . . 229 TYR CB . 50945 1
866 . 2 . 1 194 194 TYR N N 15 121.110 0.000 . 1 . . . . . 229 TYR N . 50945 1
867 . 2 . 1 195 195 ALA H H 1 8.805 0.000 . 1 . . . . . 230 ALA H . 50945 1
868 . 2 . 1 195 195 ALA C C 13 178.100 0.002 . 1 . . . . . 230 ALA C . 50945 1
869 . 2 . 1 195 195 ALA CA C 13 56.260 0.024 . 1 . . . . . 230 ALA CA . 50945 1
870 . 2 . 1 195 195 ALA CB C 13 18.061 0.000 . 1 . . . . . 230 ALA CB . 50945 1
871 . 2 . 1 195 195 ALA N N 15 121.465 0.000 . 1 . . . . . 230 ALA N . 50945 1
872 . 2 . 1 196 196 ALA H H 1 7.836 0.000 . 1 . . . . . 231 ALA H . 50945 1
873 . 2 . 1 196 196 ALA C C 13 180.589 0.000 . 1 . . . . . 231 ALA C . 50945 1
874 . 2 . 1 196 196 ALA CA C 13 54.261 0.027 . 1 . . . . . 231 ALA CA . 50945 1
875 . 2 . 1 196 196 ALA CB C 13 17.240 0.001 . 1 . . . . . 231 ALA CB . 50945 1
876 . 2 . 1 196 196 ALA N N 15 119.669 0.000 . 1 . . . . . 231 ALA N . 50945 1
877 . 2 . 1 197 197 SER H H 1 8.535 0.000 . 1 . . . . . 232 SER H . 50945 1
878 . 2 . 1 197 197 SER C C 13 175.731 0.000 . 1 . . . . . 232 SER C . 50945 1
879 . 2 . 1 197 197 SER CA C 13 60.046 0.022 . 1 . . . . . 232 SER CA . 50945 1
880 . 2 . 1 197 197 SER CB C 13 61.452 0.021 . 1 . . . . . 232 SER CB . 50945 1
881 . 2 . 1 197 197 SER N N 15 119.384 0.000 . 1 . . . . . 232 SER N . 50945 1
882 . 2 . 1 198 198 ALA H H 1 8.518 0.000 . 1 . . . . . 233 ALA H . 50945 1
883 . 2 . 1 198 198 ALA C C 13 178.377 0.038 . 1 . . . . . 233 ALA C . 50945 1
884 . 2 . 1 198 198 ALA CA C 13 55.292 0.017 . 1 . . . . . 233 ALA CA . 50945 1
885 . 2 . 1 198 198 ALA CB C 13 16.440 0.028 . 1 . . . . . 233 ALA CB . 50945 1
886 . 2 . 1 198 198 ALA N N 15 123.769 0.000 . 1 . . . . . 233 ALA N . 50945 1
887 . 2 . 1 199 199 ARG H H 1 7.985 0.000 . 1 . . . . . 234 ARG H . 50945 1
888 . 2 . 1 199 199 ARG C C 13 178.884 0.013 . 1 . . . . . 234 ARG C . 50945 1
889 . 2 . 1 199 199 ARG CA C 13 59.762 0.001 . 1 . . . . . 234 ARG CA . 50945 1
890 . 2 . 1 199 199 ARG CB C 13 28.959 0.015 . 1 . . . . . 234 ARG CB . 50945 1
891 . 2 . 1 199 199 ARG N N 15 115.030 0.000 . 1 . . . . . 234 ARG N . 50945 1
892 . 2 . 1 200 200 ALA H H 1 8.604 0.000 . 1 . . . . . 235 ALA H . 50945 1
893 . 2 . 1 200 200 ALA C C 13 179.603 0.002 . 1 . . . . . 235 ALA C . 50945 1
894 . 2 . 1 200 200 ALA CA C 13 54.581 0.039 . 1 . . . . . 235 ALA CA . 50945 1
895 . 2 . 1 200 200 ALA CB C 13 17.168 0.034 . 1 . . . . . 235 ALA CB . 50945 1
896 . 2 . 1 200 200 ALA N N 15 124.949 0.000 . 1 . . . . . 235 ALA N . 50945 1
897 . 2 . 1 201 201 PHE H H 1 7.882 0.000 . 1 . . . . . 236 PHE H . 50945 1
898 . 2 . 1 201 201 PHE C C 13 174.895 0.008 . 1 . . . . . 236 PHE C . 50945 1
899 . 2 . 1 201 201 PHE CA C 13 59.998 0.027 . 1 . . . . . 236 PHE CA . 50945 1
900 . 2 . 1 201 201 PHE CB C 13 37.786 0.062 . 1 . . . . . 236 PHE CB . 50945 1
901 . 2 . 1 201 201 PHE N N 15 118.690 0.000 . 1 . . . . . 236 PHE N . 50945 1
902 . 2 . 1 202 202 GLY H H 1 7.456 0.000 . 1 . . . . . 237 GLY H . 50945 1
903 . 2 . 1 202 202 GLY C C 13 177.667 0.000 . 1 . . . . . 237 GLY C . 50945 1
904 . 2 . 1 202 202 GLY CA C 13 47.162 0.035 . 1 . . . . . 237 GLY CA . 50945 1
905 . 2 . 1 202 202 GLY N N 15 102.997 0.000 . 1 . . . . . 237 GLY N . 50945 1
906 . 2 . 1 203 203 ALA H H 1 7.542 0.000 . 1 . . . . . 238 ALA H . 50945 1
907 . 2 . 1 203 203 ALA C C 13 177.739 0.030 . 1 . . . . . 238 ALA C . 50945 1
908 . 2 . 1 203 203 ALA CA C 13 52.475 0.042 . 1 . . . . . 238 ALA CA . 50945 1
909 . 2 . 1 203 203 ALA CB C 13 17.659 0.011 . 1 . . . . . 238 ALA CB . 50945 1
910 . 2 . 1 203 203 ALA N N 15 121.052 0.000 . 1 . . . . . 238 ALA N . 50945 1
911 . 2 . 1 204 204 ALA H H 1 7.214 0.000 . 1 . . . . . 239 ALA H . 50945 1
912 . 2 . 1 204 204 ALA C C 13 176.214 0.004 . 1 . . . . . 239 ALA C . 50945 1
913 . 2 . 1 204 204 ALA CA C 13 53.009 0.061 . 1 . . . . . 239 ALA CA . 50945 1
914 . 2 . 1 204 204 ALA CB C 13 16.004 0.017 . 1 . . . . . 239 ALA CB . 50945 1
915 . 2 . 1 204 204 ALA N N 15 122.060 0.000 . 1 . . . . . 239 ALA N . 50945 1
916 . 2 . 1 205 205 PHE H H 1 6.093 0.000 . 1 . . . . . 240 PHE H . 50945 1
917 . 2 . 1 205 205 PHE C C 13 174.166 0.000 . 1 . . . . . 240 PHE C . 50945 1
918 . 2 . 1 205 205 PHE CA C 13 53.597 0.000 . 1 . . . . . 240 PHE CA . 50945 1
919 . 2 . 1 205 205 PHE CB C 13 38.099 0.000 . 1 . . . . . 240 PHE CB . 50945 1
920 . 2 . 1 205 205 PHE N N 15 112.298 0.000 . 1 . . . . . 240 PHE N . 50945 1
921 . 2 . 1 206 206 PRO C C 13 176.798 0.000 . 1 . . . . . 241 PRO C . 50945 1
922 . 2 . 1 206 206 PRO CA C 13 64.169 0.000 . 1 . . . . . 241 PRO CA . 50945 1
923 . 2 . 1 206 206 PRO CB C 13 31.580 0.000 . 1 . . . . . 241 PRO CB . 50945 1
924 . 2 . 1 207 207 LYS H H 1 8.382 0.000 . 1 . . . . . 242 LYS H . 50945 1
925 . 2 . 1 207 207 LYS C C 13 175.789 0.008 . 1 . . . . . 242 LYS C . 50945 1
926 . 2 . 1 207 207 LYS CA C 13 54.411 0.007 . 1 . . . . . 242 LYS CA . 50945 1
927 . 2 . 1 207 207 LYS CB C 13 31.606 0.029 . 1 . . . . . 242 LYS CB . 50945 1
928 . 2 . 1 207 207 LYS N N 15 116.800 0.000 . 1 . . . . . 242 LYS N . 50945 1
929 . 2 . 1 208 208 ALA H H 1 6.820 0.000 . 1 . . . . . 243 ALA H . 50945 1
930 . 2 . 1 208 208 ALA C C 13 175.618 0.007 . 1 . . . . . 243 ALA C . 50945 1
931 . 2 . 1 208 208 ALA CA C 13 52.688 0.035 . 1 . . . . . 243 ALA CA . 50945 1
932 . 2 . 1 208 208 ALA CB C 13 18.375 0.039 . 1 . . . . . 243 ALA CB . 50945 1
933 . 2 . 1 208 208 ALA N N 15 123.387 0.000 . 1 . . . . . 243 ALA N . 50945 1
934 . 2 . 1 209 209 SER H H 1 8.143 0.000 . 1 . . . . . 244 SER H . 50945 1
935 . 2 . 1 209 209 SER C C 13 172.886 0.001 . 1 . . . . . 244 SER C . 50945 1
936 . 2 . 1 209 209 SER CA C 13 56.944 0.045 . 1 . . . . . 244 SER CA . 50945 1
937 . 2 . 1 209 209 SER CB C 13 64.132 0.008 . 1 . . . . . 244 SER CB . 50945 1
938 . 2 . 1 209 209 SER N N 15 116.531 0.000 . 1 . . . . . 244 SER N . 50945 1
939 . 2 . 1 210 210 MET H H 1 8.235 0.000 . 1 . . . . . 245 MET H . 50945 1
940 . 2 . 1 210 210 MET C C 13 171.809 0.017 . 1 . . . . . 245 MET C . 50945 1
941 . 2 . 1 210 210 MET CA C 13 54.674 0.012 . 1 . . . . . 245 MET CA . 50945 1
942 . 2 . 1 210 210 MET CB C 13 33.717 0.077 . 1 . . . . . 245 MET CB . 50945 1
943 . 2 . 1 210 210 MET N N 15 125.964 0.000 . 1 . . . . . 245 MET N . 50945 1
944 . 2 . 1 211 211 ILE H H 1 9.008 0.000 . 1 . . . . . 246 ILE H . 50945 1
945 . 2 . 1 211 211 ILE C C 13 173.676 0.002 . 1 . . . . . 246 ILE C . 50945 1
946 . 2 . 1 211 211 ILE CA C 13 56.516 0.018 . 1 . . . . . 246 ILE CA . 50945 1
947 . 2 . 1 211 211 ILE CB C 13 33.908 0.068 . 1 . . . . . 246 ILE CB . 50945 1
948 . 2 . 1 211 211 ILE N N 15 127.776 0.000 . 1 . . . . . 246 ILE N . 50945 1
949 . 2 . 1 212 212 VAL H H 1 8.648 0.000 . 1 . . . . . 247 VAL H . 50945 1
950 . 2 . 1 212 212 VAL C C 13 173.918 0.015 . 1 . . . . . 247 VAL C . 50945 1
951 . 2 . 1 212 212 VAL CA C 13 60.250 0.045 . 1 . . . . . 247 VAL CA . 50945 1
952 . 2 . 1 212 212 VAL CB C 13 32.416 0.070 . 1 . . . . . 247 VAL CB . 50945 1
953 . 2 . 1 212 212 VAL N N 15 128.606 0.000 . 1 . . . . . 247 VAL N . 50945 1
954 . 2 . 1 213 213 MET H H 1 9.924 0.000 . 1 . . . . . 248 MET H . 50945 1
955 . 2 . 1 213 213 MET C C 13 174.396 0.005 . 1 . . . . . 248 MET C . 50945 1
956 . 2 . 1 213 213 MET CA C 13 53.753 0.033 . 1 . . . . . 248 MET CA . 50945 1
957 . 2 . 1 213 213 MET CB C 13 37.208 0.065 . 1 . . . . . 248 MET CB . 50945 1
958 . 2 . 1 213 213 MET N N 15 127.984 0.000 . 1 . . . . . 248 MET N . 50945 1
959 . 2 . 1 214 214 SER H H 1 7.259 0.000 . 1 . . . . . 249 SER H . 50945 1
960 . 2 . 1 214 214 SER CA C 13 60.010 0.000 . 1 . . . . . 249 SER CA . 50945 1
961 . 2 . 1 214 214 SER CB C 13 62.297 0.000 . 1 . . . . . 249 SER CB . 50945 1
962 . 2 . 1 214 214 SER N N 15 112.671 0.000 . 1 . . . . . 249 SER N . 50945 1
963 . 2 . 1 215 215 HIS C C 13 173.171 0.000 . 1 . . . . . 250 HIS C . 50945 1
964 . 2 . 1 215 215 HIS CA C 13 53.919 0.000 . 1 . . . . . 250 HIS CA . 50945 1
965 . 2 . 1 215 215 HIS CB C 13 28.216 0.000 . 1 . . . . . 250 HIS CB . 50945 1
966 . 2 . 1 216 216 SER H H 1 6.945 0.000 . 1 . . . . . 251 SER H . 50945 1
967 . 2 . 1 216 216 SER C C 13 171.138 0.029 . 1 . . . . . 251 SER C . 50945 1
968 . 2 . 1 216 216 SER CA C 13 56.522 0.012 . 1 . . . . . 251 SER CA . 50945 1
969 . 2 . 1 216 216 SER CB C 13 66.331 0.061 . 1 . . . . . 251 SER CB . 50945 1
970 . 2 . 1 216 216 SER N N 15 113.219 0.000 . 1 . . . . . 251 SER N . 50945 1
971 . 2 . 1 217 217 ALA H H 1 8.179 0.000 . 1 . . . . . 252 ALA H . 50945 1
972 . 2 . 1 217 217 ALA C C 13 172.779 0.000 . 1 . . . . . 252 ALA C . 50945 1
973 . 2 . 1 217 217 ALA CA C 13 50.844 0.000 . 1 . . . . . 252 ALA CA . 50945 1
974 . 2 . 1 217 217 ALA CB C 13 16.333 0.000 . 1 . . . . . 252 ALA CB . 50945 1
975 . 2 . 1 217 217 ALA N N 15 125.709 0.000 . 1 . . . . . 252 ALA N . 50945 1
976 . 2 . 1 218 218 PRO C C 13 175.050 0.000 . 1 . . . . . 253 PRO C . 50945 1
977 . 2 . 1 218 218 PRO CA C 13 63.419 0.000 . 1 . . . . . 253 PRO CA . 50945 1
978 . 2 . 1 218 218 PRO CB C 13 31.443 0.000 . 1 . . . . . 253 PRO CB . 50945 1
979 . 2 . 1 219 219 ASP H H 1 8.660 0.000 . 1 . . . . . 254 ASP H . 50945 1
980 . 2 . 1 219 219 ASP C C 13 174.479 0.008 . 1 . . . . . 254 ASP C . 50945 1
981 . 2 . 1 219 219 ASP CA C 13 50.407 0.010 . 1 . . . . . 254 ASP CA . 50945 1
982 . 2 . 1 219 219 ASP CB C 13 46.060 0.025 . 1 . . . . . 254 ASP CB . 50945 1
983 . 2 . 1 219 219 ASP N N 15 123.022 0.000 . 1 . . . . . 254 ASP N . 50945 1
984 . 2 . 1 220 220 SER H H 1 9.251 0.000 . 1 . . . . . 255 SER H . 50945 1
985 . 2 . 1 220 220 SER C C 13 174.470 0.005 . 1 . . . . . 255 SER C . 50945 1
986 . 2 . 1 220 220 SER CA C 13 56.324 0.050 . 1 . . . . . 255 SER CA . 50945 1
987 . 2 . 1 220 220 SER CB C 13 64.961 0.001 . 1 . . . . . 255 SER CB . 50945 1
988 . 2 . 1 220 220 SER N N 15 116.371 0.000 . 1 . . . . . 255 SER N . 50945 1
989 . 2 . 1 221 221 ARG H H 1 8.432 0.000 . 1 . . . . . 256 ARG H . 50945 1
990 . 2 . 1 221 221 ARG C C 13 177.117 0.000 . 1 . . . . . 256 ARG C . 50945 1
991 . 2 . 1 221 221 ARG CA C 13 59.885 0.000 . 1 . . . . . 256 ARG CA . 50945 1
992 . 2 . 1 221 221 ARG CB C 13 29.604 0.000 . 1 . . . . . 256 ARG CB . 50945 1
993 . 2 . 1 221 221 ARG N N 15 115.591 0.000 . 1 . . . . . 256 ARG N . 50945 1
994 . 2 . 1 222 222 ALA C C 13 178.641 0.000 . 1 . . . . . 257 ALA C . 50945 1
995 . 2 . 1 222 222 ALA CA C 13 54.080 0.000 . 1 . . . . . 257 ALA CA . 50945 1
996 . 2 . 1 222 222 ALA CB C 13 17.508 0.000 . 1 . . . . . 257 ALA CB . 50945 1
997 . 2 . 1 223 223 ALA H H 1 7.889 0.000 . 1 . . . . . 258 ALA H . 50945 1
998 . 2 . 1 223 223 ALA C C 13 179.455 0.003 . 1 . . . . . 258 ALA C . 50945 1
999 . 2 . 1 223 223 ALA CA C 13 55.432 0.030 . 1 . . . . . 258 ALA CA . 50945 1
1000 . 2 . 1 223 223 ALA CB C 13 18.962 0.045 . 1 . . . . . 258 ALA CB . 50945 1
1001 . 2 . 1 223 223 ALA N N 15 119.817 0.000 . 1 . . . . . 258 ALA N . 50945 1
1002 . 2 . 1 224 224 ILE H H 1 7.676 0.000 . 1 . . . . . 259 ILE H . 50945 1
1003 . 2 . 1 224 224 ILE C C 13 176.616 0.028 . 1 . . . . . 259 ILE C . 50945 1
1004 . 2 . 1 224 224 ILE CA C 13 65.396 0.010 . 1 . . . . . 259 ILE CA . 50945 1
1005 . 2 . 1 224 224 ILE CB C 13 37.665 0.019 . 1 . . . . . 259 ILE CB . 50945 1
1006 . 2 . 1 224 224 ILE N N 15 118.576 0.000 . 1 . . . . . 259 ILE N . 50945 1
1007 . 2 . 1 225 225 THR H H 1 7.112 0.000 . 1 . . . . . 260 THR H . 50945 1
1008 . 2 . 1 225 225 THR C C 13 176.079 0.001 . 1 . . . . . 260 THR C . 50945 1
1009 . 2 . 1 225 225 THR CA C 13 65.068 0.035 . 1 . . . . . 260 THR CA . 50945 1
1010 . 2 . 1 225 225 THR CB C 13 68.053 0.018 . 1 . . . . . 260 THR CB . 50945 1
1011 . 2 . 1 225 225 THR N N 15 113.342 0.000 . 1 . . . . . 260 THR N . 50945 1
1012 . 2 . 1 226 226 HIS H H 1 8.599 0.000 . 1 . . . . . 261 HIS H . 50945 1
1013 . 2 . 1 226 226 HIS C C 13 176.506 0.008 . 1 . . . . . 261 HIS C . 50945 1
1014 . 2 . 1 226 226 HIS CA C 13 59.247 0.007 . 1 . . . . . 261 HIS CA . 50945 1
1015 . 2 . 1 226 226 HIS CB C 13 31.398 0.013 . 1 . . . . . 261 HIS CB . 50945 1
1016 . 2 . 1 226 226 HIS N N 15 121.835 0.000 . 1 . . . . . 261 HIS N . 50945 1
1017 . 2 . 1 227 227 THR H H 1 7.925 0.000 . 1 . . . . . 262 THR H . 50945 1
1018 . 2 . 1 227 227 THR C C 13 174.875 0.000 . 1 . . . . . 262 THR C . 50945 1
1019 . 2 . 1 227 227 THR CA C 13 67.829 0.029 . 1 . . . . . 262 THR CA . 50945 1
1020 . 2 . 1 227 227 THR N N 15 115.542 0.000 . 1 . . . . . 262 THR N . 50945 1
1021 . 2 . 1 228 228 ALA H H 1 8.135 0.000 . 1 . . . . . 263 ALA H . 50945 1
1022 . 2 . 1 228 228 ALA C C 13 177.051 0.001 . 1 . . . . . 263 ALA C . 50945 1
1023 . 2 . 1 228 228 ALA CA C 13 55.389 0.057 . 1 . . . . . 263 ALA CA . 50945 1
1024 . 2 . 1 228 228 ALA CB C 13 17.498 0.007 . 1 . . . . . 263 ALA CB . 50945 1
1025 . 2 . 1 228 228 ALA N N 15 121.950 0.000 . 1 . . . . . 263 ALA N . 50945 1
1026 . 2 . 1 229 229 ARG H H 1 7.888 0.000 . 1 . . . . . 264 ARG H . 50945 1
1027 . 2 . 1 229 229 ARG C C 13 179.402 0.004 . 1 . . . . . 264 ARG C . 50945 1
1028 . 2 . 1 229 229 ARG CA C 13 58.586 0.009 . 1 . . . . . 264 ARG CA . 50945 1
1029 . 2 . 1 229 229 ARG CB C 13 29.202 0.014 . 1 . . . . . 264 ARG CB . 50945 1
1030 . 2 . 1 229 229 ARG N N 15 117.123 0.000 . 1 . . . . . 264 ARG N . 50945 1
1031 . 2 . 1 230 230 MET H H 1 7.883 0.000 . 1 . . . . . 265 MET H . 50945 1
1032 . 2 . 1 230 230 MET C C 13 178.753 0.014 . 1 . . . . . 265 MET C . 50945 1
1033 . 2 . 1 230 230 MET CA C 13 59.129 0.002 . 1 . . . . . 265 MET CA . 50945 1
1034 . 2 . 1 230 230 MET CB C 13 33.303 0.004 . 1 . . . . . 265 MET CB . 50945 1
1035 . 2 . 1 230 230 MET N N 15 118.526 0.000 . 1 . . . . . 265 MET N . 50945 1
1036 . 2 . 1 231 231 ALA H H 1 8.134 0.000 . 1 . . . . . 266 ALA H . 50945 1
1037 . 2 . 1 231 231 ALA C C 13 179.739 0.015 . 1 . . . . . 266 ALA C . 50945 1
1038 . 2 . 1 231 231 ALA CA C 13 53.344 0.067 . 1 . . . . . 266 ALA CA . 50945 1
1039 . 2 . 1 231 231 ALA CB C 13 16.064 0.032 . 1 . . . . . 266 ALA CB . 50945 1
1040 . 2 . 1 231 231 ALA N N 15 122.140 0.000 . 1 . . . . . 266 ALA N . 50945 1
1041 . 2 . 1 232 232 ASP H H 1 8.393 0.000 . 1 . . . . . 267 ASP H . 50945 1
1042 . 2 . 1 232 232 ASP C C 13 177.488 0.013 . 1 . . . . . 267 ASP C . 50945 1
1043 . 2 . 1 232 232 ASP CA C 13 56.426 0.038 . 1 . . . . . 267 ASP CA . 50945 1
1044 . 2 . 1 232 232 ASP CB C 13 40.024 0.008 . 1 . . . . . 267 ASP CB . 50945 1
1045 . 2 . 1 232 232 ASP N N 15 123.781 0.000 . 1 . . . . . 267 ASP N . 50945 1
1046 . 2 . 1 233 233 LYS H H 1 6.993 0.000 . 1 . . . . . 268 LYS H . 50945 1
1047 . 2 . 1 233 233 LYS C C 13 176.240 0.014 . 1 . . . . . 268 LYS C . 50945 1
1048 . 2 . 1 233 233 LYS CA C 13 55.944 0.004 . 1 . . . . . 268 LYS CA . 50945 1
1049 . 2 . 1 233 233 LYS CB C 13 31.455 0.021 . 1 . . . . . 268 LYS CB . 50945 1
1050 . 2 . 1 233 233 LYS N N 15 115.906 0.000 . 1 . . . . . 268 LYS N . 50945 1
1051 . 2 . 1 234 234 LEU H H 1 7.301 0.000 . 1 . . . . . 269 LEU H . 50945 1
1052 . 2 . 1 234 234 LEU C C 13 175.561 0.009 . 1 . . . . . 269 LEU C . 50945 1
1053 . 2 . 1 234 234 LEU CA C 13 54.524 0.039 . 1 . . . . . 269 LEU CA . 50945 1
1054 . 2 . 1 234 234 LEU CB C 13 41.984 0.027 . 1 . . . . . 269 LEU CB . 50945 1
1055 . 2 . 1 234 234 LEU N N 15 118.139 0.000 . 1 . . . . . 269 LEU N . 50945 1
1056 . 2 . 1 235 235 ARG H H 1 7.047 0.000 . 1 . . . . . 270 ARG H . 50945 1
1057 . 2 . 1 235 235 ARG C C 13 180.011 0.000 . 1 . . . . . 270 ARG C . 50945 1
1058 . 2 . 1 235 235 ARG CA C 13 56.882 0.000 . 1 . . . . . 270 ARG CA . 50945 1
1059 . 2 . 1 235 235 ARG CB C 13 31.018 0.000 . 1 . . . . . 270 ARG CB . 50945 1
1060 . 2 . 1 235 235 ARG N N 15 123.417 0.000 . 1 . . . . . 270 ARG N . 50945 1
stop_
save_