Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 11592
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 11592 1
2 '3D HNCO' 1 $sample_1 isotropic 11592 1
3 '3D HNCA' 1 $sample_1 isotropic 11592 1
4 '3D HNCACB' 1 $sample_1 isotropic 11592 1
5 '3D HBHA(CO)NH' 1 $sample_1 isotropic 11592 1
6 '3D 1H-15N NOESY' 1 $sample_1 isotropic 11592 1
7 '3D CBCA(CO)NH' 1 $sample_1 isotropic 11592 1
8 '2D 1H-13C HSQC' 2 $sample_2 isotropic 11592 1
9 '3D HCCH-TOCSY' 2 $sample_2 isotropic 11592 1
10 '3D 1H-13C NOESY' 2 $sample_2 isotropic 11592 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 ASN C C 13 175.981 0.048 . 1 . . . A 1 ASN C . 11592 1
2 . 1 1 1 1 ASN CA C 13 52.514 0.051 . 1 . . . A 1 ASN CA . 11592 1
3 . 1 1 1 1 ASN CB C 13 36.893 0.047 . 1 . . . A 1 ASN CB . 11592 1
4 . 1 1 1 1 ASN H H 1 8.506 0.009 . 1 . . . A 1 ASN H . 11592 1
5 . 1 1 1 1 ASN HA H 1 4.114 0.021 . 1 . . . A 1 ASN HA . 11592 1
6 . 1 1 1 1 ASN HB2 H 1 2.908 0 . 2 . . . A 1 ASN HB2 . 11592 1
7 . 1 1 1 1 ASN HB3 H 1 2.731 0 . 2 . . . A 1 ASN HB3 . 11592 1
8 . 1 1 1 1 ASN N N 15 120.629 0 . 1 . . . A 1 ASN N . 11592 1
9 . 1 1 2 2 LEU C C 13 176.751 0.003 . 1 . . . A 2 LEU C . 11592 1
10 . 1 1 2 2 LEU CA C 13 55.83 0.083 . 1 . . . A 2 LEU CA . 11592 1
11 . 1 1 2 2 LEU CB C 13 42.174 0.069 . 1 . . . A 2 LEU CB . 11592 1
12 . 1 1 2 2 LEU H H 1 9.106 0.005 . 1 . . . A 2 LEU H . 11592 1
13 . 1 1 2 2 LEU HA H 1 3.855 0.022 . 1 . . . A 2 LEU HA . 11592 1
14 . 1 1 2 2 LEU HB2 H 1 1.269 0.044 . 2 . . . A 2 LEU HB2 . 11592 1
15 . 1 1 2 2 LEU N N 15 129.252 0.005 . 1 . . . A 2 LEU N . 11592 1
16 . 1 1 3 3 ALA C C 13 176.405 0 . 1 . . . A 3 ALA C . 11592 1
17 . 1 1 3 3 ALA CA C 13 52.868 0.266 . 1 . . . A 3 ALA CA . 11592 1
18 . 1 1 3 3 ALA CB C 13 21.722 0.073 . 1 . . . A 3 ALA CB . 11592 1
19 . 1 1 3 3 ALA H H 1 7.68 0.01 . 1 . . . A 3 ALA H . 11592 1
20 . 1 1 3 3 ALA HA H 1 3.666 0.023 . 1 . . . A 3 ALA HA . 11592 1
21 . 1 1 3 3 ALA N N 15 117.308 0 . 1 . . . A 3 ALA N . 11592 1
22 . 1 1 3 3 ALA HB1 H 1 1.311 0.025 . 1 . . . A 3 ALA HB1 . 11592 1
23 . 1 1 3 3 ALA HB2 H 1 1.311 0.025 . 1 . . . A 3 ALA HB2 . 11592 1
24 . 1 1 3 3 ALA HB3 H 1 1.311 0.025 . 1 . . . A 3 ALA HB3 . 11592 1
25 . 1 1 4 4 LEU C C 13 178.148 0 . 1 . . . A 4 LEU C . 11592 1
26 . 1 1 4 4 LEU CA C 13 56.3 0.133 . 1 . . . A 4 LEU CA . 11592 1
27 . 1 1 4 4 LEU CB C 13 42.527 0.129 . 1 . . . A 4 LEU CB . 11592 1
28 . 1 1 4 4 LEU CD1 C 13 25.452 0.104 . 1 . . . A 4 LEU CD1 . 11592 1
29 . 1 1 4 4 LEU HA H 1 3.943 0.022 . 1 . . . A 4 LEU HA . 11592 1
30 . 1 1 4 4 LEU HB2 H 1 1.607 0.027 . 2 . . . A 4 LEU HB2 . 11592 1
31 . 1 1 4 4 LEU HB3 H 1 1.336 0 . 2 . . . A 4 LEU HB3 . 11592 1
32 . 1 1 4 4 LEU HD11 H 1 0.774 0.018 . 1 . . . A 4 LEU HD11 . 11592 1
33 . 1 1 4 4 LEU HD12 H 1 0.774 0.018 . 1 . . . A 4 LEU HD12 . 11592 1
34 . 1 1 4 4 LEU HD13 H 1 0.774 0.018 . 1 . . . A 4 LEU HD13 . 11592 1
35 . 1 1 5 5 ASN C C 13 174.256 0.003 . 1 . . . A 5 ASN C . 11592 1
36 . 1 1 5 5 ASN CA C 13 55.116 0.078 . 1 . . . A 5 ASN CA . 11592 1
37 . 1 1 5 5 ASN CB C 13 37.339 0.084 . 1 . . . A 5 ASN CB . 11592 1
38 . 1 1 5 5 ASN H H 1 9.849 0.007 . 1 . . . A 5 ASN H . 11592 1
39 . 1 1 5 5 ASN HA H 1 4.244 0.029 . 1 . . . A 5 ASN HA . 11592 1
40 . 1 1 5 5 ASN HB2 H 1 3.055 0.013 . 2 . . . A 5 ASN HB2 . 11592 1
41 . 1 1 5 5 ASN HB3 H 1 2.821 0.031 . 2 . . . A 5 ASN HB3 . 11592 1
42 . 1 1 5 5 ASN HD21 H 1 7.068 0.004 . 2 . . . A 5 ASN HD21 . 11592 1
43 . 1 1 5 5 ASN HD22 H 1 7.529 0.005 . 2 . . . A 5 ASN HD22 . 11592 1
44 . 1 1 5 5 ASN N N 15 118.595 0.008 . 1 . . . A 5 ASN N . 11592 1
45 . 1 1 5 5 ASN ND2 N 15 112.521 0 . 1 . . . A 5 ASN ND2 . 11592 1
46 . 1 1 6 6 LYS C C 13 175.786 0.02 . 1 . . . A 6 LYS C . 11592 1
47 . 1 1 6 6 LYS CA C 13 53.333 0.144 . 1 . . . A 6 LYS CA . 11592 1
48 . 1 1 6 6 LYS CB C 13 31.449 0.126 . 1 . . . A 6 LYS CB . 11592 1
49 . 1 1 6 6 LYS H H 1 7.654 0.01 . 1 . . . A 6 LYS H . 11592 1
50 . 1 1 6 6 LYS HA H 1 4.348 0.025 . 1 . . . A 6 LYS HA . 11592 1
51 . 1 1 6 6 LYS HB2 H 1 2.066 0.032 . 2 . . . A 6 LYS HB2 . 11592 1
52 . 1 1 6 6 LYS HB3 H 1 1.672 0.031 . 2 . . . A 6 LYS HB3 . 11592 1
53 . 1 1 6 6 LYS N N 15 119.047 0.054 . 1 . . . A 6 LYS N . 11592 1
54 . 1 1 7 7 ALA C C 13 176.923 0.011 . 1 . . . A 7 ALA C . 11592 1
55 . 1 1 7 7 ALA CA C 13 53.456 0.126 . 1 . . . A 7 ALA CA . 11592 1
56 . 1 1 7 7 ALA CB C 13 19.351 0.052 . 1 . . . A 7 ALA CB . 11592 1
57 . 1 1 7 7 ALA H H 1 7.995 0.007 . 1 . . . A 7 ALA H . 11592 1
58 . 1 1 7 7 ALA HA H 1 4.243 0.027 . 1 . . . A 7 ALA HA . 11592 1
59 . 1 1 7 7 ALA N N 15 121.758 0.091 . 1 . . . A 7 ALA N . 11592 1
60 . 1 1 7 7 ALA HB1 H 1 1.509 0.023 . 1 . . . A 7 ALA HB1 . 11592 1
61 . 1 1 7 7 ALA HB2 H 1 1.509 0.023 . 1 . . . A 7 ALA HB2 . 11592 1
62 . 1 1 7 7 ALA HB3 H 1 1.509 0.023 . 1 . . . A 7 ALA HB3 . 11592 1
63 . 1 1 8 8 THR C C 13 174.745 0.003 . 1 . . . A 8 THR C . 11592 1
64 . 1 1 8 8 THR CA C 13 59.127 0.059 . 1 . . . A 8 THR CA . 11592 1
65 . 1 1 8 8 THR CB C 13 74.78 0.1 . 1 . . . A 8 THR CB . 11592 1
66 . 1 1 8 8 THR CG2 C 13 22.401 0.134 . 1 . . . A 8 THR CG2 . 11592 1
67 . 1 1 8 8 THR H H 1 7.989 0.007 . 1 . . . A 8 THR H . 11592 1
68 . 1 1 8 8 THR HA H 1 5.426 0.022 . 1 . . . A 8 THR HA . 11592 1
69 . 1 1 8 8 THR HB H 1 3.67 0.037 . 1 . . . A 8 THR HB . 11592 1
70 . 1 1 8 8 THR N N 15 110.064 0.06 . 1 . . . A 8 THR N . 11592 1
71 . 1 1 8 8 THR HG21 H 1 1.003 0.017 . 1 . . . A 8 THR HG21 . 11592 1
72 . 1 1 8 8 THR HG22 H 1 1.003 0.017 . 1 . . . A 8 THR HG22 . 11592 1
73 . 1 1 8 8 THR HG23 H 1 1.003 0.017 . 1 . . . A 8 THR HG23 . 11592 1
74 . 1 1 9 9 ALA C C 13 175.372 0 . 1 . . . A 9 ALA C . 11592 1
75 . 1 1 9 9 ALA CA C 13 51.498 0.237 . 1 . . . A 9 ALA CA . 11592 1
76 . 1 1 9 9 ALA CB C 13 21.565 0.048 . 1 . . . A 9 ALA CB . 11592 1
77 . 1 1 9 9 ALA H H 1 8.186 0.008 . 1 . . . A 9 ALA H . 11592 1
78 . 1 1 9 9 ALA HA H 1 4.543 0.028 . 1 . . . A 9 ALA HA . 11592 1
79 . 1 1 9 9 ALA N N 15 121.445 0.043 . 1 . . . A 9 ALA N . 11592 1
80 . 1 1 9 9 ALA HB1 H 1 0.83 0.028 . 1 . . . A 9 ALA HB1 . 11592 1
81 . 1 1 9 9 ALA HB2 H 1 0.83 0.028 . 1 . . . A 9 ALA HB2 . 11592 1
82 . 1 1 9 9 ALA HB3 H 1 0.83 0.028 . 1 . . . A 9 ALA HB3 . 11592 1
83 . 1 1 10 10 THR C C 13 174.256 0.007 . 1 . . . A 10 THR C . 11592 1
84 . 1 1 10 10 THR CA C 13 58.441 0.096 . 1 . . . A 10 THR CA . 11592 1
85 . 1 1 10 10 THR CB C 13 72.633 0.084 . 1 . . . A 10 THR CB . 11592 1
86 . 1 1 10 10 THR CG2 C 13 21.082 0.083 . 1 . . . A 10 THR CG2 . 11592 1
87 . 1 1 10 10 THR H H 1 8.373 0.009 . 1 . . . A 10 THR H . 11592 1
88 . 1 1 10 10 THR HA H 1 4.569 0.031 . 1 . . . A 10 THR HA . 11592 1
89 . 1 1 10 10 THR HB H 1 4.035 0.022 . 1 . . . A 10 THR HB . 11592 1
90 . 1 1 10 10 THR N N 15 108.591 0.052 . 1 . . . A 10 THR N . 11592 1
91 . 1 1 10 10 THR HG21 H 1 0.182 0.023 . 1 . . . A 10 THR HG21 . 11592 1
92 . 1 1 10 10 THR HG22 H 1 0.182 0.023 . 1 . . . A 10 THR HG22 . 11592 1
93 . 1 1 10 10 THR HG23 H 1 0.182 0.023 . 1 . . . A 10 THR HG23 . 11592 1
94 . 1 1 11 11 SER C C 13 175.141 0 . 1 . . . A 11 SER C . 11592 1
95 . 1 1 11 11 SER CA C 13 59.963 0.101 . 1 . . . A 11 SER CA . 11592 1
96 . 1 1 11 11 SER CB C 13 59.721 0.099 . 1 . . . A 11 SER CB . 11592 1
97 . 1 1 11 11 SER H H 1 7.82 0.011 . 1 . . . A 11 SER H . 11592 1
98 . 1 1 11 11 SER HA H 1 3.558 0.032 . 1 . . . A 11 SER HA . 11592 1
99 . 1 1 11 11 SER HB2 H 1 1.445 0.024 . 2 . . . A 11 SER HB2 . 11592 1
100 . 1 1 11 11 SER HB3 H 1 3.034 0.015 . 2 . . . A 11 SER HB3 . 11592 1
101 . 1 1 11 11 SER N N 15 115.767 0.065 . 1 . . . A 11 SER N . 11592 1
102 . 1 1 12 12 SER C C 13 172.578 0.007 . 1 . . . A 12 SER C . 11592 1
103 . 1 1 12 12 SER CA C 13 58.085 0.117 . 1 . . . A 12 SER CA . 11592 1
104 . 1 1 12 12 SER CB C 13 64.446 0.308 . 1 . . . A 12 SER CB . 11592 1
105 . 1 1 12 12 SER H H 1 7.402 0.007 . 1 . . . A 12 SER H . 11592 1
106 . 1 1 12 12 SER HA H 1 4.503 0.024 . 1 . . . A 12 SER HA . 11592 1
107 . 1 1 12 12 SER HB2 H 1 4.196 0.034 . 2 . . . A 12 SER HB2 . 11592 1
108 . 1 1 12 12 SER HB3 H 1 3.803 0.019 . 2 . . . A 12 SER HB3 . 11592 1
109 . 1 1 12 12 SER N N 15 111.486 0.078 . 1 . . . A 12 SER N . 11592 1
110 . 1 1 13 13 ILE C C 13 175.919 0.019 . 1 . . . A 13 ILE C . 11592 1
111 . 1 1 13 13 ILE CA C 13 59.192 0.105 . 1 . . . A 13 ILE CA . 11592 1
112 . 1 1 13 13 ILE CB C 13 42.836 0.116 . 1 . . . A 13 ILE CB . 11592 1
113 . 1 1 13 13 ILE CD1 C 13 19.436 0.236 . 1 . . . A 13 ILE CD1 . 11592 1
114 . 1 1 13 13 ILE CG1 C 13 25.686 0.117 . 1 . . . A 13 ILE CG1 . 11592 1
115 . 1 1 13 13 ILE CG2 C 13 14.386 0.077 . 1 . . . A 13 ILE CG2 . 11592 1
116 . 1 1 13 13 ILE H H 1 8.348 0.008 . 1 . . . A 13 ILE H . 11592 1
117 . 1 1 13 13 ILE HA H 1 5.199 0.019 . 1 . . . A 13 ILE HA . 11592 1
118 . 1 1 13 13 ILE HB H 1 1.646 0.022 . 1 . . . A 13 ILE HB . 11592 1
119 . 1 1 13 13 ILE HG12 H 1 1.223 0.038 . 1 . . . A 13 ILE HG12 . 11592 1
120 . 1 1 13 13 ILE N N 15 113.453 0.055 . 1 . . . A 13 ILE N . 11592 1
121 . 1 1 13 13 ILE HD11 H 1 0.968 0.018 . 1 . . . A 13 ILE HD11 . 11592 1
122 . 1 1 13 13 ILE HD12 H 1 0.968 0.018 . 1 . . . A 13 ILE HD12 . 11592 1
123 . 1 1 13 13 ILE HD13 H 1 0.968 0.018 . 1 . . . A 13 ILE HD13 . 11592 1
124 . 1 1 13 13 ILE HG21 H 1 0.783 0.008 . 1 . . . A 13 ILE HG21 . 11592 1
125 . 1 1 13 13 ILE HG22 H 1 0.783 0.008 . 1 . . . A 13 ILE HG22 . 11592 1
126 . 1 1 13 13 ILE HG23 H 1 0.783 0.008 . 1 . . . A 13 ILE HG23 . 11592 1
127 . 1 1 14 14 GLU C C 13 175.814 0.052 . 1 . . . A 14 GLU C . 11592 1
128 . 1 1 14 14 GLU CA C 13 59.185 0.083 . 1 . . . A 14 GLU CA . 11592 1
129 . 1 1 14 14 GLU CB C 13 32.134 0.357 . 1 . . . A 14 GLU CB . 11592 1
130 . 1 1 14 14 GLU CG C 13 34.917 0.188 . 1 . . . A 14 GLU CG . 11592 1
131 . 1 1 14 14 GLU H H 1 8.442 0.011 . 1 . . . A 14 GLU H . 11592 1
132 . 1 1 14 14 GLU HA H 1 3.305 0.028 . 1 . . . A 14 GLU HA . 11592 1
133 . 1 1 14 14 GLU HB2 H 1 1.867 0.025 . 2 . . . A 14 GLU HB2 . 11592 1
134 . 1 1 14 14 GLU HB3 H 1 1.274 0.03 . 2 . . . A 14 GLU HB3 . 11592 1
135 . 1 1 14 14 GLU HG2 H 1 1.679 0.013 . 2 . . . A 14 GLU HG2 . 11592 1
136 . 1 1 14 14 GLU N N 15 124.457 0.055 . 1 . . . A 14 GLU N . 11592 1
137 . 1 1 15 15 THR C C 13 171.526 0.026 . 1 . . . A 15 THR C . 11592 1
138 . 1 1 15 15 THR CA C 13 58.596 0.159 . 1 . . . A 15 THR CA . 11592 1
139 . 1 1 15 15 THR CB C 13 68.486 0.112 . 1 . . . A 15 THR CB . 11592 1
140 . 1 1 15 15 THR CG2 C 13 18.706 0.084 . 1 . . . A 15 THR CG2 . 11592 1
141 . 1 1 15 15 THR H H 1 6.771 0.008 . 1 . . . A 15 THR H . 11592 1
142 . 1 1 15 15 THR HA H 1 4.284 0.04 . 1 . . . A 15 THR HA . 11592 1
143 . 1 1 15 15 THR HB H 1 4.2 0.012 . 1 . . . A 15 THR HB . 11592 1
144 . 1 1 15 15 THR N N 15 105.688 0.056 . 1 . . . A 15 THR N . 11592 1
145 . 1 1 15 15 THR HG21 H 1 0.917 0.023 . 1 . . . A 15 THR HG21 . 11592 1
146 . 1 1 15 15 THR HG22 H 1 0.917 0.023 . 1 . . . A 15 THR HG22 . 11592 1
147 . 1 1 15 15 THR HG23 H 1 0.917 0.023 . 1 . . . A 15 THR HG23 . 11592 1
148 . 1 1 16 16 ALA C C 13 177.803 0.017 . 1 . . . A 16 ALA C . 11592 1
149 . 1 1 16 16 ALA CA C 13 53.202 0.179 . 1 . . . A 16 ALA CA . 11592 1
150 . 1 1 16 16 ALA CB C 13 18.202 0.126 . 1 . . . A 16 ALA CB . 11592 1
151 . 1 1 16 16 ALA H H 1 7.949 0.007 . 1 . . . A 16 ALA H . 11592 1
152 . 1 1 16 16 ALA HA H 1 4.208 0.024 . 1 . . . A 16 ALA HA . 11592 1
153 . 1 1 16 16 ALA N N 15 126.25 0.059 . 1 . . . A 16 ALA N . 11592 1
154 . 1 1 16 16 ALA HB1 H 1 1.331 0.023 . 1 . . . A 16 ALA HB1 . 11592 1
155 . 1 1 16 16 ALA HB2 H 1 1.331 0.023 . 1 . . . A 16 ALA HB2 . 11592 1
156 . 1 1 16 16 ALA HB3 H 1 1.331 0.023 . 1 . . . A 16 ALA HB3 . 11592 1
157 . 1 1 17 17 GLY C C 13 174.324 0.007 . 1 . . . A 17 GLY C . 11592 1
158 . 1 1 17 17 GLY CA C 13 45.624 0.227 . 1 . . . A 17 GLY CA . 11592 1
159 . 1 1 17 17 GLY H H 1 9.716 0.007 . 1 . . . A 17 GLY H . 11592 1
160 . 1 1 17 17 GLY HA2 H 1 3.688 0.037 . 2 . . . A 17 GLY HA2 . 11592 1
161 . 1 1 17 17 GLY HA3 H 1 4.205 0.02 . 2 . . . A 17 GLY HA3 . 11592 1
162 . 1 1 17 17 GLY N N 15 113.438 0.047 . 1 . . . A 17 GLY N . 11592 1
163 . 1 1 18 18 HIS C C 13 174.488 0.006 . 1 . . . A 18 HIS C . 11592 1
164 . 1 1 18 18 HIS CA C 13 53.291 0.146 . 1 . . . A 18 HIS CA . 11592 1
165 . 1 1 18 18 HIS CB C 13 28.945 0.102 . 1 . . . A 18 HIS CB . 11592 1
166 . 1 1 18 18 HIS H H 1 7.382 0.013 . 1 . . . A 18 HIS H . 11592 1
167 . 1 1 18 18 HIS HA H 1 5.806 0.039 . 1 . . . A 18 HIS HA . 11592 1
168 . 1 1 18 18 HIS HB2 H 1 3.603 0.024 . 2 . . . A 18 HIS HB2 . 11592 1
169 . 1 1 18 18 HIS HB3 H 1 2.776 0.032 . 2 . . . A 18 HIS HB3 . 11592 1
170 . 1 1 18 18 HIS N N 15 117.342 0.046 . 1 . . . A 18 HIS N . 11592 1
171 . 1 1 19 19 GLU C C 13 177.423 0 . 1 . . . A 19 GLU C . 11592 1
172 . 1 1 19 19 GLU CA C 13 58.166 0.156 . 1 . . . A 19 GLU CA . 11592 1
173 . 1 1 19 19 GLU CB C 13 29.033 0.048 . 1 . . . A 19 GLU CB . 11592 1
174 . 1 1 19 19 GLU H H 1 8.722 0.008 . 1 . . . A 19 GLU H . 11592 1
175 . 1 1 19 19 GLU HA H 1 4.441 0.013 . 1 . . . A 19 GLU HA . 11592 1
176 . 1 1 19 19 GLU HB2 H 1 2.552 0.044 . 2 . . . A 19 GLU HB2 . 11592 1
177 . 1 1 19 19 GLU HB3 H 1 2.219 0.043 . 2 . . . A 19 GLU HB3 . 11592 1
178 . 1 1 19 19 GLU N N 15 116.275 0.046 . 1 . . . A 19 GLU N . 11592 1
179 . 1 1 20 20 GLY C C 13 175.167 0.019 . 1 . . . A 20 GLY C . 11592 1
180 . 1 1 20 20 GLY CA C 13 48.039 0.098 . 1 . . . A 20 GLY CA . 11592 1
181 . 1 1 20 20 GLY H H 1 9.183 0.01 . 1 . . . A 20 GLY H . 11592 1
182 . 1 1 20 20 GLY HA2 H 1 3.353 0.011 . 2 . . . A 20 GLY HA2 . 11592 1
183 . 1 1 20 20 GLY HA3 H 1 3.393 0.038 . 2 . . . A 20 GLY HA3 . 11592 1
184 . 1 1 20 20 GLY N N 15 106.995 0.017 . 1 . . . A 20 GLY N . 11592 1
185 . 1 1 21 21 ASP C C 13 177.887 0.008 . 1 . . . A 21 ASP C . 11592 1
186 . 1 1 21 21 ASP CA C 13 55.619 0.15 . 1 . . . A 21 ASP CA . 11592 1
187 . 1 1 21 21 ASP CB C 13 39.416 0.112 . 1 . . . A 21 ASP CB . 11592 1
188 . 1 1 21 21 ASP H H 1 8.045 0.009 . 1 . . . A 21 ASP H . 11592 1
189 . 1 1 21 21 ASP HA H 1 4.301 0.013 . 1 . . . A 21 ASP HA . 11592 1
190 . 1 1 21 21 ASP HB2 H 1 2.597 0.027 . 1 . . . A 21 ASP HB2 . 11592 1
191 . 1 1 21 21 ASP N N 15 115.124 0.056 . 1 . . . A 21 ASP N . 11592 1
192 . 1 1 22 22 LYS C C 13 178.627 0 . 1 . . . A 22 LYS C . 11592 1
193 . 1 1 22 22 LYS CA C 13 56.041 0.211 . 1 . . . A 22 LYS CA . 11592 1
194 . 1 1 22 22 LYS CB C 13 31.522 0.405 . 1 . . . A 22 LYS CB . 11592 1
195 . 1 1 22 22 LYS H H 1 7.887 0.019 . 1 . . . A 22 LYS H . 11592 1
196 . 1 1 22 22 LYS HA H 1 4.263 0.009 . 1 . . . A 22 LYS HA . 11592 1
197 . 1 1 22 22 LYS HB2 H 1 2.091 0.026 . 2 . . . A 22 LYS HB2 . 11592 1
198 . 1 1 22 22 LYS HB3 H 1 1.717 0.025 . 2 . . . A 22 LYS HB3 . 11592 1
199 . 1 1 22 22 LYS N N 15 117.459 0.079 . 1 . . . A 22 LYS N . 11592 1
200 . 1 1 23 23 ALA C C 13 175.03 0.019 . 1 . . . A 23 ALA C . 11592 1
201 . 1 1 23 23 ALA CA C 13 52.617 0.185 . 1 . . . A 23 ALA CA . 11592 1
202 . 1 1 23 23 ALA CB C 13 19.593 0.185 . 1 . . . A 23 ALA CB . 11592 1
203 . 1 1 23 23 ALA H H 1 8.529 0.015 . 1 . . . A 23 ALA H . 11592 1
204 . 1 1 23 23 ALA HA H 1 4.651 0.016 . 1 . . . A 23 ALA HA . 11592 1
205 . 1 1 23 23 ALA N N 15 123.985 0.03 . 1 . . . A 23 ALA N . 11592 1
206 . 1 1 23 23 ALA HB1 H 1 1.513 0.037 . 1 . . . A 23 ALA HB1 . 11592 1
207 . 1 1 23 23 ALA HB2 H 1 1.513 0.037 . 1 . . . A 23 ALA HB2 . 11592 1
208 . 1 1 23 23 ALA HB3 H 1 1.513 0.037 . 1 . . . A 23 ALA HB3 . 11592 1
209 . 1 1 24 24 VAL C C 13 174.661 0 . 1 . . . A 24 VAL C . 11592 1
210 . 1 1 24 24 VAL CA C 13 58.871 0.121 . 1 . . . A 24 VAL CA . 11592 1
211 . 1 1 24 24 VAL CB C 13 31.02 0.086 . 1 . . . A 24 VAL CB . 11592 1
212 . 1 1 24 24 VAL CG1 C 13 22.085 0.109 . 2 . . . A 24 VAL CG1 . 11592 1
213 . 1 1 24 24 VAL CG2 C 13 18.77 0.187 . 2 . . . A 24 VAL CG2 . 11592 1
214 . 1 1 24 24 VAL H H 1 6.987 0.009 . 1 . . . A 24 VAL H . 11592 1
215 . 1 1 24 24 VAL HA H 1 5.316 0.023 . 1 . . . A 24 VAL HA . 11592 1
216 . 1 1 24 24 VAL HB H 1 2.891 0.016 . 1 . . . A 24 VAL HB . 11592 1
217 . 1 1 24 24 VAL N N 15 108.314 0.035 . 1 . . . A 24 VAL N . 11592 1
218 . 1 1 24 24 VAL HG11 H 1 0.91 0.022 . 2 . . . A 24 VAL HG11 . 11592 1
219 . 1 1 24 24 VAL HG12 H 1 0.91 0.022 . 2 . . . A 24 VAL HG12 . 11592 1
220 . 1 1 24 24 VAL HG13 H 1 0.91 0.022 . 2 . . . A 24 VAL HG13 . 11592 1
221 . 1 1 24 24 VAL HG21 H 1 0.689 0.021 . 2 . . . A 24 VAL HG21 . 11592 1
222 . 1 1 24 24 VAL HG22 H 1 0.689 0.021 . 2 . . . A 24 VAL HG22 . 11592 1
223 . 1 1 24 24 VAL HG23 H 1 0.689 0.021 . 2 . . . A 24 VAL HG23 . 11592 1
224 . 1 1 25 25 ASP C C 13 177.897 0.007 . 1 . . . A 25 ASP C . 11592 1
225 . 1 1 25 25 ASP CA C 13 52.034 0.103 . 1 . . . A 25 ASP CA . 11592 1
226 . 1 1 25 25 ASP CB C 13 40.068 0.093 . 1 . . . A 25 ASP CB . 11592 1
227 . 1 1 25 25 ASP H H 1 7.873 0.015 . 1 . . . A 25 ASP H . 11592 1
228 . 1 1 25 25 ASP HA H 1 4.832 0.026 . 1 . . . A 25 ASP HA . 11592 1
229 . 1 1 25 25 ASP HB2 H 1 2.797 0.012 . 2 . . . A 25 ASP HB2 . 11592 1
230 . 1 1 25 25 ASP HB3 H 1 3.108 0.032 . 2 . . . A 25 ASP HB3 . 11592 1
231 . 1 1 25 25 ASP N N 15 117.259 0.032 . 1 . . . A 25 ASP N . 11592 1
232 . 1 1 26 26 GLY C C 13 172.779 0.003 . 1 . . . A 26 GLY C . 11592 1
233 . 1 1 26 26 GLY CA C 13 45.898 0.075 . 1 . . . A 26 GLY CA . 11592 1
234 . 1 1 26 26 GLY H H 1 9.254 0.009 . 1 . . . A 26 GLY H . 11592 1
235 . 1 1 26 26 GLY HA2 H 1 3.499 0.016 . 2 . . . A 26 GLY HA2 . 11592 1
236 . 1 1 26 26 GLY HA3 H 1 3.81 0.026 . 2 . . . A 26 GLY HA3 . 11592 1
237 . 1 1 26 26 GLY N N 15 113.636 0.039 . 1 . . . A 26 GLY N . 11592 1
238 . 1 1 27 27 ASN C C 13 176.893 0 . 1 . . . A 27 ASN C . 11592 1
239 . 1 1 27 27 ASN CA C 13 51.103 0.114 . 1 . . . A 27 ASN CA . 11592 1
240 . 1 1 27 27 ASN CB C 13 39.397 0 . 1 . . . A 27 ASN CB . 11592 1
241 . 1 1 27 27 ASN H H 1 7.87 0.011 . 1 . . . A 27 ASN H . 11592 1
242 . 1 1 27 27 ASN HA H 1 4.844 0.033 . 1 . . . A 27 ASN HA . 11592 1
243 . 1 1 27 27 ASN N N 15 117.899 0.07 . 1 . . . A 27 ASN N . 11592 1
244 . 1 1 28 28 ALA C C 13 173.483 0 . 1 . . . A 28 ALA C . 11592 1
245 . 1 1 28 28 ALA CA C 13 53.721 0.069 . 1 . . . A 28 ALA CA . 11592 1
246 . 1 1 28 28 ALA CB C 13 17.579 0.157 . 1 . . . A 28 ALA CB . 11592 1
247 . 1 1 28 28 ALA HA H 1 4.042 0.015 . 1 . . . A 28 ALA HA . 11592 1
248 . 1 1 28 28 ALA HB1 H 1 1.204 0.036 . 1 . . . A 28 ALA HB1 . 11592 1
249 . 1 1 28 28 ALA HB2 H 1 1.204 0.036 . 1 . . . A 28 ALA HB2 . 11592 1
250 . 1 1 28 28 ALA HB3 H 1 1.204 0.036 . 1 . . . A 28 ALA HB3 . 11592 1
251 . 1 1 29 29 ALA C C 13 177.866 0.013 . 1 . . . A 29 ALA C . 11592 1
252 . 1 1 29 29 ALA CA C 13 51.583 0.093 . 1 . . . A 29 ALA CA . 11592 1
253 . 1 1 29 29 ALA CB C 13 18.991 0.061 . 1 . . . A 29 ALA CB . 11592 1
254 . 1 1 29 29 ALA H H 1 8.551 0.01 . 1 . . . A 29 ALA H . 11592 1
255 . 1 1 29 29 ALA HA H 1 4.294 0.028 . 1 . . . A 29 ALA HA . 11592 1
256 . 1 1 29 29 ALA N N 15 116.082 0.081 . 1 . . . A 29 ALA N . 11592 1
257 . 1 1 29 29 ALA HB1 H 1 1.35 0.033 . 1 . . . A 29 ALA HB1 . 11592 1
258 . 1 1 29 29 ALA HB2 H 1 1.35 0.033 . 1 . . . A 29 ALA HB2 . 11592 1
259 . 1 1 29 29 ALA HB3 H 1 1.35 0.033 . 1 . . . A 29 ALA HB3 . 11592 1
260 . 1 1 30 30 THR C C 13 176.193 0.019 . 1 . . . A 30 THR C . 11592 1
261 . 1 1 30 30 THR CA C 13 58.285 0.091 . 1 . . . A 30 THR CA . 11592 1
262 . 1 1 30 30 THR CB C 13 70.865 0.106 . 1 . . . A 30 THR CB . 11592 1
263 . 1 1 30 30 THR CG2 C 13 21.531 0.051 . 1 . . . A 30 THR CG2 . 11592 1
264 . 1 1 30 30 THR H H 1 7.681 0.009 . 1 . . . A 30 THR H . 11592 1
265 . 1 1 30 30 THR HA H 1 5.154 0.025 . 1 . . . A 30 THR HA . 11592 1
266 . 1 1 30 30 THR HB H 1 4.451 0.035 . 1 . . . A 30 THR HB . 11592 1
267 . 1 1 30 30 THR N N 15 109.662 0.064 . 1 . . . A 30 THR N . 11592 1
268 . 1 1 30 30 THR HG21 H 1 1.149 0.02 . 1 . . . A 30 THR HG21 . 11592 1
269 . 1 1 30 30 THR HG22 H 1 1.149 0.02 . 1 . . . A 30 THR HG22 . 11592 1
270 . 1 1 30 30 THR HG23 H 1 1.149 0.02 . 1 . . . A 30 THR HG23 . 11592 1
271 . 1 1 31 31 ARG C C 13 175.268 0.013 . 1 . . . A 31 ARG C . 11592 1
272 . 1 1 31 31 ARG CA C 13 53.792 0.205 . 1 . . . A 31 ARG CA . 11592 1
273 . 1 1 31 31 ARG CB C 13 31.863 0.158 . 1 . . . A 31 ARG CB . 11592 1
274 . 1 1 31 31 ARG H H 1 10.175 0.019 . 1 . . . A 31 ARG H . 11592 1
275 . 1 1 31 31 ARG HA H 1 5.278 0.025 . 1 . . . A 31 ARG HA . 11592 1
276 . 1 1 31 31 ARG HB2 H 1 0.881 0.007 . 2 . . . A 31 ARG HB2 . 11592 1
277 . 1 1 31 31 ARG N N 15 124.487 0.061 . 1 . . . A 31 ARG N . 11592 1
278 . 1 1 32 32 TRP C C 13 176.444 0.026 . 1 . . . A 32 TRP C . 11592 1
279 . 1 1 32 32 TRP CA C 13 55.36 0.141 . 1 . . . A 32 TRP CA . 11592 1
280 . 1 1 32 32 TRP CB C 13 30.298 0.105 . 1 . . . A 32 TRP CB . 11592 1
281 . 1 1 32 32 TRP CD1 C 13 118.337 0 . 1 . . . A 32 TRP CD1 . 11592 1
282 . 1 1 32 32 TRP CE3 C 13 127.494 0 . 1 . . . A 32 TRP CE3 . 11592 1
283 . 1 1 32 32 TRP CZ2 C 13 114.106 0 . 1 . . . A 32 TRP CZ2 . 11592 1
284 . 1 1 32 32 TRP H H 1 7.731 0.004 . 1 . . . A 32 TRP H . 11592 1
285 . 1 1 32 32 TRP HA H 1 4.721 0.025 . 1 . . . A 32 TRP HA . 11592 1
286 . 1 1 32 32 TRP HB2 H 1 3.225 0.034 . 2 . . . A 32 TRP HB2 . 11592 1
287 . 1 1 32 32 TRP HB3 H 1 2.828 0.035 . 2 . . . A 32 TRP HB3 . 11592 1
288 . 1 1 32 32 TRP HD1 H 1 7.092 0.027 . 1 . . . A 32 TRP HD1 . 11592 1
289 . 1 1 32 32 TRP HE3 H 1 7.716 0.023 . 1 . . . A 32 TRP HE3 . 11592 1
290 . 1 1 32 32 TRP HZ2 H 1 7.139 0.026 . 1 . . . A 32 TRP HZ2 . 11592 1
291 . 1 1 32 32 TRP N N 15 120.618 0.02 . 1 . . . A 32 TRP N . 11592 1
292 . 1 1 33 33 ALA C C 13 174.502 0.007 . 1 . . . A 33 ALA C . 11592 1
293 . 1 1 33 33 ALA CA C 13 51.063 0.091 . 1 . . . A 33 ALA CA . 11592 1
294 . 1 1 33 33 ALA CB C 13 21.871 0.097 . 1 . . . A 33 ALA CB . 11592 1
295 . 1 1 33 33 ALA H H 1 8.035 0.007 . 1 . . . A 33 ALA H . 11592 1
296 . 1 1 33 33 ALA HA H 1 4.17 0.015 . 1 . . . A 33 ALA HA . 11592 1
297 . 1 1 33 33 ALA N N 15 136.843 0.046 . 1 . . . A 33 ALA N . 11592 1
298 . 1 1 33 33 ALA HB1 H 1 0.924 0.022 . 1 . . . A 33 ALA HB1 . 11592 1
299 . 1 1 33 33 ALA HB2 H 1 0.924 0.022 . 1 . . . A 33 ALA HB2 . 11592 1
300 . 1 1 33 33 ALA HB3 H 1 0.924 0.022 . 1 . . . A 33 ALA HB3 . 11592 1
301 . 1 1 34 34 SER C C 13 173.075 0.019 . 1 . . . A 34 SER C . 11592 1
302 . 1 1 34 34 SER CA C 13 57.564 0.093 . 1 . . . A 34 SER CA . 11592 1
303 . 1 1 34 34 SER CB C 13 65.971 0.149 . 1 . . . A 34 SER CB . 11592 1
304 . 1 1 34 34 SER H H 1 8.197 0.008 . 1 . . . A 34 SER H . 11592 1
305 . 1 1 34 34 SER HA H 1 4.095 0.023 . 1 . . . A 34 SER HA . 11592 1
306 . 1 1 34 34 SER HB2 H 1 3.415 0.019 . 2 . . . A 34 SER HB2 . 11592 1
307 . 1 1 34 34 SER N N 15 118.699 0.049 . 1 . . . A 34 SER N . 11592 1
308 . 1 1 35 35 ALA C C 13 178.49 0 . 1 . . . A 35 ALA C . 11592 1
309 . 1 1 35 35 ALA CA C 13 52.222 0.063 . 1 . . . A 35 ALA CA . 11592 1
310 . 1 1 35 35 ALA CB C 13 18.482 0.056 . 1 . . . A 35 ALA CB . 11592 1
311 . 1 1 35 35 ALA H H 1 8.484 0.014 . 1 . . . A 35 ALA H . 11592 1
312 . 1 1 35 35 ALA HA H 1 4.014 0.03 . 1 . . . A 35 ALA HA . 11592 1
313 . 1 1 35 35 ALA N N 15 118.18 0.062 . 1 . . . A 35 ALA N . 11592 1
314 . 1 1 35 35 ALA HB1 H 1 1.293 0.027 . 1 . . . A 35 ALA HB1 . 11592 1
315 . 1 1 35 35 ALA HB2 H 1 1.293 0.027 . 1 . . . A 35 ALA HB2 . 11592 1
316 . 1 1 35 35 ALA HB3 H 1 1.293 0.027 . 1 . . . A 35 ALA HB3 . 11592 1
317 . 1 1 36 36 TYR C C 13 177.127 0.032 . 1 . . . A 36 TYR C . 11592 1
318 . 1 1 36 36 TYR CA C 13 54.721 0.104 . 1 . . . A 36 TYR CA . 11592 1
319 . 1 1 36 36 TYR CB C 13 36.973 0.165 . 1 . . . A 36 TYR CB . 11592 1
320 . 1 1 36 36 TYR CD1 C 13 130.395 0 . 1 . . . A 36 TYR CD1 . 11592 1
321 . 1 1 36 36 TYR H H 1 8.582 0.014 . 1 . . . A 36 TYR H . 11592 1
322 . 1 1 36 36 TYR HA H 1 4.243 0.023 . 1 . . . A 36 TYR HA . 11592 1
323 . 1 1 36 36 TYR HB2 H 1 3.019 0.013 . 1 . . . A 36 TYR HB2 . 11592 1
324 . 1 1 36 36 TYR HD1 H 1 6.841 0.021 . 3 . . . A 36 TYR HD1 . 11592 1
325 . 1 1 36 36 TYR HD2 H 1 6.752 0 . 3 . . . A 36 TYR HD2 . 11592 1
326 . 1 1 36 36 TYR N N 15 120.816 0.088 . 1 . . . A 36 TYR N . 11592 1
327 . 1 1 37 37 GLY C C 13 174.128 0 . 1 . . . A 37 GLY C . 11592 1
328 . 1 1 37 37 GLY CA C 13 44.601 0.118 . 1 . . . A 37 GLY CA . 11592 1
329 . 1 1 37 37 GLY H H 1 7.304 0.009 . 1 . . . A 37 GLY H . 11592 1
330 . 1 1 37 37 GLY HA2 H 1 3.689 0.045 . 2 . . . A 37 GLY HA2 . 11592 1
331 . 1 1 37 37 GLY HA3 H 1 4.661 0.025 . 2 . . . A 37 GLY HA3 . 11592 1
332 . 1 1 37 37 GLY N N 15 105.609 0.053 . 1 . . . A 37 GLY N . 11592 1
333 . 1 1 38 38 ALA C C 13 177.938 0.007 . 1 . . . A 38 ALA C . 11592 1
334 . 1 1 38 38 ALA CA C 13 52.933 0.117 . 1 . . . A 38 ALA CA . 11592 1
335 . 1 1 38 38 ALA CB C 13 19.204 0.049 . 1 . . . A 38 ALA CB . 11592 1
336 . 1 1 38 38 ALA H H 1 8.382 0.015 . 1 . . . A 38 ALA H . 11592 1
337 . 1 1 38 38 ALA HA H 1 4.134 0.023 . 1 . . . A 38 ALA HA . 11592 1
338 . 1 1 38 38 ALA N N 15 119.979 0.049 . 1 . . . A 38 ALA N . 11592 1
339 . 1 1 38 38 ALA HB1 H 1 1.404 0.03 . 1 . . . A 38 ALA HB1 . 11592 1
340 . 1 1 38 38 ALA HB2 H 1 1.404 0.03 . 1 . . . A 38 ALA HB2 . 11592 1
341 . 1 1 38 38 ALA HB3 H 1 1.404 0.03 . 1 . . . A 38 ALA HB3 . 11592 1
342 . 1 1 39 39 SER CA C 13 57.184 0.489 . 1 . . . A 39 SER CA . 11592 1
343 . 1 1 39 39 SER CB C 13 62.088 0.375 . 1 . . . A 39 SER CB . 11592 1
344 . 1 1 39 39 SER H H 1 8.076 0.008 . 1 . . . A 39 SER H . 11592 1
345 . 1 1 39 39 SER HA H 1 4.717 0.015 . 1 . . . A 39 SER HA . 11592 1
346 . 1 1 39 39 SER HB2 H 1 3.776 0.033 . 2 . . . A 39 SER HB2 . 11592 1
347 . 1 1 39 39 SER N N 15 118.012 0.025 . 1 . . . A 39 SER N . 11592 1
348 . 1 1 40 40 PRO C C 13 176.179 0 . 1 . . . A 40 PRO C . 11592 1
349 . 1 1 40 40 PRO CA C 13 63.361 0.138 . 1 . . . A 40 PRO CA . 11592 1
350 . 1 1 40 40 PRO CB C 13 32.517 0.071 . 1 . . . A 40 PRO CB . 11592 1
351 . 1 1 40 40 PRO CD C 13 50.621 0.072 . 1 . . . A 40 PRO CD . 11592 1
352 . 1 1 40 40 PRO CG C 13 28.066 0.122 . 1 . . . A 40 PRO CG . 11592 1
353 . 1 1 40 40 PRO HA H 1 4.647 0.017 . 1 . . . A 40 PRO HA . 11592 1
354 . 1 1 40 40 PRO HB2 H 1 1.875 0.063 . 2 . . . A 40 PRO HB2 . 11592 1
355 . 1 1 40 40 PRO HB3 H 1 1.498 0.019 . 2 . . . A 40 PRO HB3 . 11592 1
356 . 1 1 40 40 PRO HD2 H 1 3.837 0.021 . 2 . . . A 40 PRO HD2 . 11592 1
357 . 1 1 40 40 PRO HD3 H 1 3.658 0.028 . 2 . . . A 40 PRO HD3 . 11592 1
358 . 1 1 40 40 PRO HG2 H 1 2.082 0.017 . 2 . . . A 40 PRO HG2 . 11592 1
359 . 1 1 40 40 PRO HG3 H 1 2.002 0.019 . 2 . . . A 40 PRO HG3 . 11592 1
360 . 1 1 41 41 GLN C C 13 172.815 0 . 1 . . . A 41 GLN C . 11592 1
361 . 1 1 41 41 GLN CA C 13 52.291 0.225 . 1 . . . A 41 GLN CA . 11592 1
362 . 1 1 41 41 GLN CB C 13 31.199 0.144 . 1 . . . A 41 GLN CB . 11592 1
363 . 1 1 41 41 GLN H H 1 8.222 0.01 . 1 . . . A 41 GLN H . 11592 1
364 . 1 1 41 41 GLN HA H 1 4.621 0.023 . 1 . . . A 41 GLN HA . 11592 1
365 . 1 1 41 41 GLN HB2 H 1 2.782 0.028 . 2 . . . A 41 GLN HB2 . 11592 1
366 . 1 1 41 41 GLN N N 15 117.026 0.052 . 1 . . . A 41 GLN N . 11592 1
367 . 1 1 42 42 TRP C C 13 173.236 0.007 . 1 . . . A 42 TRP C . 11592 1
368 . 1 1 42 42 TRP CA C 13 54.349 0.084 . 1 . . . A 42 TRP CA . 11592 1
369 . 1 1 42 42 TRP CB C 13 33.875 0.026 . 1 . . . A 42 TRP CB . 11592 1
370 . 1 1 42 42 TRP CH2 C 13 123.921 0 . 1 . . . A 42 TRP CH2 . 11592 1
371 . 1 1 42 42 TRP CZ2 C 13 114.667 0 . 1 . . . A 42 TRP CZ2 . 11592 1
372 . 1 1 42 42 TRP H H 1 9.151 0.008 . 1 . . . A 42 TRP H . 11592 1
373 . 1 1 42 42 TRP HA H 1 5.541 0.021 . 1 . . . A 42 TRP HA . 11592 1
374 . 1 1 42 42 TRP HB2 H 1 3.431 0.026 . 2 . . . A 42 TRP HB2 . 11592 1
375 . 1 1 42 42 TRP HB3 H 1 3.021 0.022 . 2 . . . A 42 TRP HB3 . 11592 1
376 . 1 1 42 42 TRP HE1 H 1 10.44 0.004 . 1 . . . A 42 TRP HE1 . 11592 1
377 . 1 1 42 42 TRP HH2 H 1 7.059 0.039 . 1 . . . A 42 TRP HH2 . 11592 1
378 . 1 1 42 42 TRP HZ2 H 1 7.479 0.027 . 1 . . . A 42 TRP HZ2 . 11592 1
379 . 1 1 42 42 TRP N N 15 112.597 0.031 . 1 . . . A 42 TRP N . 11592 1
380 . 1 1 42 42 TRP NE1 N 15 130.802 0 . 1 . . . A 42 TRP NE1 . 11592 1
381 . 1 1 43 43 ILE C C 13 173.836 0.007 . 1 . . . A 43 ILE C . 11592 1
382 . 1 1 43 43 ILE CA C 13 57.761 0.128 . 1 . . . A 43 ILE CA . 11592 1
383 . 1 1 43 43 ILE CB C 13 39.704 0.128 . 1 . . . A 43 ILE CB . 11592 1
384 . 1 1 43 43 ILE CD1 C 13 14.212 0.047 . 1 . . . A 43 ILE CD1 . 11592 1
385 . 1 1 43 43 ILE CG1 C 13 27.903 0.077 . 1 . . . A 43 ILE CG1 . 11592 1
386 . 1 1 43 43 ILE CG2 C 13 14.369 0.095 . 1 . . . A 43 ILE CG2 . 11592 1
387 . 1 1 43 43 ILE H H 1 7.985 0.01 . 1 . . . A 43 ILE H . 11592 1
388 . 1 1 43 43 ILE HA H 1 4.9 0.028 . 1 . . . A 43 ILE HA . 11592 1
389 . 1 1 43 43 ILE HB H 1 0.031 0.017 . 1 . . . A 43 ILE HB . 11592 1
390 . 1 1 43 43 ILE N N 15 115.026 0.054 . 1 . . . A 43 ILE N . 11592 1
391 . 1 1 43 43 ILE HD11 H 1 0.243 0.045 . 1 . . . A 43 ILE HD11 . 11592 1
392 . 1 1 43 43 ILE HD12 H 1 0.243 0.045 . 1 . . . A 43 ILE HD12 . 11592 1
393 . 1 1 43 43 ILE HD13 H 1 0.243 0.045 . 1 . . . A 43 ILE HD13 . 11592 1
394 . 1 1 43 43 ILE HG21 H 1 0.49 0.033 . 1 . . . A 43 ILE HG21 . 11592 1
395 . 1 1 43 43 ILE HG22 H 1 0.49 0.033 . 1 . . . A 43 ILE HG22 . 11592 1
396 . 1 1 43 43 ILE HG23 H 1 0.49 0.033 . 1 . . . A 43 ILE HG23 . 11592 1
397 . 1 1 44 44 TYR C C 13 172.437 0.007 . 1 . . . A 44 TYR C . 11592 1
398 . 1 1 44 44 TYR CA C 13 54.702 0.075 . 1 . . . A 44 TYR CA . 11592 1
399 . 1 1 44 44 TYR CB C 13 44.174 0.104 . 1 . . . A 44 TYR CB . 11592 1
400 . 1 1 44 44 TYR CD1 C 13 133.755 0 . 1 . . . A 44 TYR CD1 . 11592 1
401 . 1 1 44 44 TYR H H 1 9.441 0.011 . 1 . . . A 44 TYR H . 11592 1
402 . 1 1 44 44 TYR HA H 1 6.306 0.027 . 1 . . . A 44 TYR HA . 11592 1
403 . 1 1 44 44 TYR HB2 H 1 3.466 0.03 . 2 . . . A 44 TYR HB2 . 11592 1
404 . 1 1 44 44 TYR HB3 H 1 2.334 0.037 . 2 . . . A 44 TYR HB3 . 11592 1
405 . 1 1 44 44 TYR HD2 H 1 6.853 0.009 . 1 . . . A 44 TYR HD2 . 11592 1
406 . 1 1 44 44 TYR N N 15 123.45 0.048 . 1 . . . A 44 TYR N . 11592 1
407 . 1 1 45 45 ILE C C 13 175.545 0.007 . 1 . . . A 45 ILE C . 11592 1
408 . 1 1 45 45 ILE CA C 13 59.122 0.106 . 1 . . . A 45 ILE CA . 11592 1
409 . 1 1 45 45 ILE CB C 13 42.379 0.128 . 1 . . . A 45 ILE CB . 11592 1
410 . 1 1 45 45 ILE CD1 C 13 13.403 0.141 . 1 . . . A 45 ILE CD1 . 11592 1
411 . 1 1 45 45 ILE CG1 C 13 26.896 0.106 . 1 . . . A 45 ILE CG1 . 11592 1
412 . 1 1 45 45 ILE CG2 C 13 18.79 0.062 . 1 . . . A 45 ILE CG2 . 11592 1
413 . 1 1 45 45 ILE H H 1 9.038 0.008 . 1 . . . A 45 ILE H . 11592 1
414 . 1 1 45 45 ILE HA H 1 4.653 0.025 . 1 . . . A 45 ILE HA . 11592 1
415 . 1 1 45 45 ILE HB H 1 1.227 0.031 . 1 . . . A 45 ILE HB . 11592 1
416 . 1 1 45 45 ILE HG12 H 1 0.917 0.033 . 2 . . . A 45 ILE HG12 . 11592 1
417 . 1 1 45 45 ILE HG13 H 1 0.51 0.006 . 2 . . . A 45 ILE HG13 . 11592 1
418 . 1 1 45 45 ILE N N 15 118.037 0.042 . 1 . . . A 45 ILE N . 11592 1
419 . 1 1 45 45 ILE HD11 H 1 -0.381 0.03 . 1 . . . A 45 ILE HD11 . 11592 1
420 . 1 1 45 45 ILE HD12 H 1 -0.381 0.03 . 1 . . . A 45 ILE HD12 . 11592 1
421 . 1 1 45 45 ILE HD13 H 1 -0.381 0.03 . 1 . . . A 45 ILE HD13 . 11592 1
422 . 1 1 45 45 ILE HG21 H 1 0.574 0.054 . 1 . . . A 45 ILE HG21 . 11592 1
423 . 1 1 45 45 ILE HG22 H 1 0.574 0.054 . 1 . . . A 45 ILE HG22 . 11592 1
424 . 1 1 45 45 ILE HG23 H 1 0.574 0.054 . 1 . . . A 45 ILE HG23 . 11592 1
425 . 1 1 46 46 ASN C C 13 175.288 0.017 . 1 . . . A 46 ASN C . 11592 1
426 . 1 1 46 46 ASN CA C 13 51.004 0.16 . 1 . . . A 46 ASN CA . 11592 1
427 . 1 1 46 46 ASN CB C 13 38.881 0.128 . 1 . . . A 46 ASN CB . 11592 1
428 . 1 1 46 46 ASN H H 1 8.783 0.009 . 1 . . . A 46 ASN H . 11592 1
429 . 1 1 46 46 ASN HA H 1 4.893 0.017 . 1 . . . A 46 ASN HA . 11592 1
430 . 1 1 46 46 ASN HB2 H 1 3.187 0.032 . 2 . . . A 46 ASN HB2 . 11592 1
431 . 1 1 46 46 ASN HB3 H 1 2.756 0.03 . 2 . . . A 46 ASN HB3 . 11592 1
432 . 1 1 46 46 ASN HD21 H 1 6.695 0.005 . 2 . . . A 46 ASN HD21 . 11592 1
433 . 1 1 46 46 ASN HD22 H 1 7.624 0.003 . 2 . . . A 46 ASN HD22 . 11592 1
434 . 1 1 46 46 ASN N N 15 123.689 0.027 . 1 . . . A 46 ASN N . 11592 1
435 . 1 1 46 46 ASN ND2 N 15 107.357 0.011 . 1 . . . A 46 ASN ND2 . 11592 1
436 . 1 1 47 47 LEU C C 13 178.335 0.006 . 1 . . . A 47 LEU C . 11592 1
437 . 1 1 47 47 LEU CA C 13 56.471 0.113 . 1 . . . A 47 LEU CA . 11592 1
438 . 1 1 47 47 LEU CB C 13 41.276 0.163 . 1 . . . A 47 LEU CB . 11592 1
439 . 1 1 47 47 LEU CD1 C 13 22.107 0.053 . 1 . . . A 47 LEU CD1 . 11592 1
440 . 1 1 47 47 LEU CD2 C 13 25.721 0.147 . 1 . . . A 47 LEU CD2 . 11592 1
441 . 1 1 47 47 LEU H H 1 9.293 0.009 . 1 . . . A 47 LEU H . 11592 1
442 . 1 1 47 47 LEU HA H 1 3.801 0.027 . 1 . . . A 47 LEU HA . 11592 1
443 . 1 1 47 47 LEU HB2 H 1 2.05 0.016 . 2 . . . A 47 LEU HB2 . 11592 1
444 . 1 1 47 47 LEU HB3 H 1 1.468 0.02 . 2 . . . A 47 LEU HB3 . 11592 1
445 . 1 1 47 47 LEU N N 15 122.996 0.06 . 1 . . . A 47 LEU N . 11592 1
446 . 1 1 47 47 LEU HD11 H 1 0.445 0.005 . 2 . . . A 47 LEU HD11 . 11592 1
447 . 1 1 47 47 LEU HD12 H 1 0.445 0.005 . 2 . . . A 47 LEU HD12 . 11592 1
448 . 1 1 47 47 LEU HD13 H 1 0.445 0.005 . 2 . . . A 47 LEU HD13 . 11592 1
449 . 1 1 47 47 LEU HD21 H 1 0.631 0.015 . 2 . . . A 47 LEU HD21 . 11592 1
450 . 1 1 47 47 LEU HD22 H 1 0.631 0.015 . 2 . . . A 47 LEU HD22 . 11592 1
451 . 1 1 47 47 LEU HD23 H 1 0.631 0.015 . 2 . . . A 47 LEU HD23 . 11592 1
452 . 1 1 48 48 GLY C C 13 172.838 0.007 . 1 . . . A 48 GLY C . 11592 1
453 . 1 1 48 48 GLY CA C 13 45.754 0.127 . 1 . . . A 48 GLY CA . 11592 1
454 . 1 1 48 48 GLY H H 1 8.625 0.009 . 1 . . . A 48 GLY H . 11592 1
455 . 1 1 48 48 GLY HA2 H 1 3.239 0.023 . 2 . . . A 48 GLY HA2 . 11592 1
456 . 1 1 48 48 GLY HA3 H 1 4.27 0.031 . 2 . . . A 48 GLY HA3 . 11592 1
457 . 1 1 48 48 GLY N N 15 108.717 0.039 . 1 . . . A 48 GLY N . 11592 1
458 . 1 1 49 49 SER C C 13 172.259 0.026 . 1 . . . A 49 SER C . 11592 1
459 . 1 1 49 49 SER CA C 13 56.354 0.143 . 1 . . . A 49 SER CA . 11592 1
460 . 1 1 49 49 SER CB C 13 63.835 0.117 . 1 . . . A 49 SER CB . 11592 1
461 . 1 1 49 49 SER H H 1 7.459 0.008 . 1 . . . A 49 SER H . 11592 1
462 . 1 1 49 49 SER HA H 1 4.269 0.027 . 1 . . . A 49 SER HA . 11592 1
463 . 1 1 49 49 SER HB2 H 1 3.889 0.022 . 2 . . . A 49 SER HB2 . 11592 1
464 . 1 1 49 49 SER N N 15 112.267 0.033 . 1 . . . A 49 SER N . 11592 1
465 . 1 1 50 50 THR C C 13 174.014 0.007 . 1 . . . A 50 THR C . 11592 1
466 . 1 1 50 50 THR CA C 13 65.081 0.066 . 1 . . . A 50 THR CA . 11592 1
467 . 1 1 50 50 THR CB C 13 68.755 0.116 . 1 . . . A 50 THR CB . 11592 1
468 . 1 1 50 50 THR CG2 C 13 21.768 0.133 . 1 . . . A 50 THR CG2 . 11592 1
469 . 1 1 50 50 THR H H 1 8.43 0.009 . 1 . . . A 50 THR H . 11592 1
470 . 1 1 50 50 THR HA H 1 3.818 0.028 . 1 . . . A 50 THR HA . 11592 1
471 . 1 1 50 50 THR HB H 1 3.72 0.014 . 1 . . . A 50 THR HB . 11592 1
472 . 1 1 50 50 THR N N 15 116.917 0.055 . 1 . . . A 50 THR N . 11592 1
473 . 1 1 50 50 THR HG21 H 1 1.003 0.032 . 1 . . . A 50 THR HG21 . 11592 1
474 . 1 1 50 50 THR HG22 H 1 1.003 0.032 . 1 . . . A 50 THR HG22 . 11592 1
475 . 1 1 50 50 THR HG23 H 1 1.003 0.032 . 1 . . . A 50 THR HG23 . 11592 1
476 . 1 1 51 51 GLN C C 13 173.636 0 . 1 . . . A 51 GLN C . 11592 1
477 . 1 1 51 51 GLN CA C 13 53.289 0.15 . 1 . . . A 51 GLN CA . 11592 1
478 . 1 1 51 51 GLN CB C 13 32.447 0.096 . 1 . . . A 51 GLN CB . 11592 1
479 . 1 1 51 51 GLN H H 1 8.799 0.008 . 1 . . . A 51 GLN H . 11592 1
480 . 1 1 51 51 GLN HA H 1 4.528 0.038 . 1 . . . A 51 GLN HA . 11592 1
481 . 1 1 51 51 GLN HB2 H 1 2.017 0.017 . 2 . . . A 51 GLN HB2 . 11592 1
482 . 1 1 51 51 GLN HB3 H 1 2.374 0.019 . 2 . . . A 51 GLN HB3 . 11592 1
483 . 1 1 51 51 GLN N N 15 127.348 0.068 . 1 . . . A 51 GLN N . 11592 1
484 . 1 1 52 52 SER C C 13 174.839 0 . 1 . . . A 52 SER C . 11592 1
485 . 1 1 52 52 SER CA C 13 57.448 0.193 . 1 . . . A 52 SER CA . 11592 1
486 . 1 1 52 52 SER CB C 13 62.528 0.071 . 1 . . . A 52 SER CB . 11592 1
487 . 1 1 52 52 SER H H 1 8.29 0.01 . 1 . . . A 52 SER H . 11592 1
488 . 1 1 52 52 SER HA H 1 4.728 0.029 . 1 . . . A 52 SER HA . 11592 1
489 . 1 1 52 52 SER HB2 H 1 3.743 0.02 . 2 . . . A 52 SER HB2 . 11592 1
490 . 1 1 52 52 SER N N 15 115.666 0.074 . 1 . . . A 52 SER N . 11592 1
491 . 1 1 53 53 ILE C C 13 174.584 0.013 . 1 . . . A 53 ILE C . 11592 1
492 . 1 1 53 53 ILE CA C 13 59.797 0.097 . 1 . . . A 53 ILE CA . 11592 1
493 . 1 1 53 53 ILE CB C 13 42.18 0.148 . 1 . . . A 53 ILE CB . 11592 1
494 . 1 1 53 53 ILE CG1 C 13 25.467 0 . 1 . . . A 53 ILE CG1 . 11592 1
495 . 1 1 53 53 ILE CG2 C 13 18.081 0.11 . 1 . . . A 53 ILE CG2 . 11592 1
496 . 1 1 53 53 ILE H H 1 9.034 0.011 . 1 . . . A 53 ILE H . 11592 1
497 . 1 1 53 53 ILE HA H 1 5.036 0.03 . 1 . . . A 53 ILE HA . 11592 1
498 . 1 1 53 53 ILE HB H 1 1.889 0.022 . 1 . . . A 53 ILE HB . 11592 1
499 . 1 1 53 53 ILE N N 15 121.893 0.048 . 1 . . . A 53 ILE N . 11592 1
500 . 1 1 53 53 ILE HG21 H 1 0.714 0.039 . 1 . . . A 53 ILE HG21 . 11592 1
501 . 1 1 53 53 ILE HG22 H 1 0.714 0.039 . 1 . . . A 53 ILE HG22 . 11592 1
502 . 1 1 53 53 ILE HG23 H 1 0.714 0.039 . 1 . . . A 53 ILE HG23 . 11592 1
503 . 1 1 54 54 SER C C 13 170.929 0.009 . 1 . . . A 54 SER C . 11592 1
504 . 1 1 54 54 SER CA C 13 57.85 0.256 . 1 . . . A 54 SER CA . 11592 1
505 . 1 1 54 54 SER CB C 13 65.732 0.09 . 1 . . . A 54 SER CB . 11592 1
506 . 1 1 54 54 SER H H 1 8.541 0.012 . 1 . . . A 54 SER H . 11592 1
507 . 1 1 54 54 SER HA H 1 4.073 0.019 . 1 . . . A 54 SER HA . 11592 1
508 . 1 1 54 54 SER HB2 H 1 3.456 0.03 . 2 . . . A 54 SER HB2 . 11592 1
509 . 1 1 54 54 SER HB3 H 1 3.993 0.005 . 2 . . . A 54 SER HB3 . 11592 1
510 . 1 1 54 54 SER N N 15 111.947 0.005 . 1 . . . A 54 SER N . 11592 1
511 . 1 1 55 55 ARG C C 13 174.326 0.005 . 1 . . . A 55 ARG C . 11592 1
512 . 1 1 55 55 ARG CA C 13 54.378 0.03 . 1 . . . A 55 ARG CA . 11592 1
513 . 1 1 55 55 ARG CB C 13 34.484 0.056 . 1 . . . A 55 ARG CB . 11592 1
514 . 1 1 55 55 ARG CG C 13 26.906 0 . 1 . . . A 55 ARG CG . 11592 1
515 . 1 1 55 55 ARG H H 1 7.576 0.014 . 1 . . . A 55 ARG H . 11592 1
516 . 1 1 55 55 ARG HA H 1 5.217 0.016 . 1 . . . A 55 ARG HA . 11592 1
517 . 1 1 55 55 ARG HB2 H 1 1.741 0.026 . 2 . . . A 55 ARG HB2 . 11592 1
518 . 1 1 55 55 ARG HB3 H 1 1.481 0 . 2 . . . A 55 ARG HB3 . 11592 1
519 . 1 1 55 55 ARG HE H 1 8.516 0.004 . 1 . . . A 55 ARG HE . 11592 1
520 . 1 1 55 55 ARG N N 15 121.916 0 . 1 . . . A 55 ARG N . 11592 1
521 . 1 1 55 55 ARG NE N 15 134.819 0 . 1 . . . A 55 ARG NE . 11592 1
522 . 1 1 56 56 VAL C C 13 173.066 0.013 . 1 . . . A 56 VAL C . 11592 1
523 . 1 1 56 56 VAL CA C 13 59.56 0.148 . 1 . . . A 56 VAL CA . 11592 1
524 . 1 1 56 56 VAL CB C 13 36.932 0.029 . 1 . . . A 56 VAL CB . 11592 1
525 . 1 1 56 56 VAL CG1 C 13 22.219 0.06 . 1 . . . A 56 VAL CG1 . 11592 1
526 . 1 1 56 56 VAL H H 1 9.235 0.036 . 1 . . . A 56 VAL H . 11592 1
527 . 1 1 56 56 VAL HA H 1 5.149 0.021 . 1 . . . A 56 VAL HA . 11592 1
528 . 1 1 56 56 VAL HB H 1 1.984 0.034 . 1 . . . A 56 VAL HB . 11592 1
529 . 1 1 56 56 VAL N N 15 125.448 0.018 . 1 . . . A 56 VAL N . 11592 1
530 . 1 1 56 56 VAL HG11 H 1 1.242 0.019 . 1 . . . A 56 VAL HG11 . 11592 1
531 . 1 1 56 56 VAL HG12 H 1 1.242 0.019 . 1 . . . A 56 VAL HG12 . 11592 1
532 . 1 1 56 56 VAL HG13 H 1 1.242 0.019 . 1 . . . A 56 VAL HG13 . 11592 1
533 . 1 1 57 57 LYS C C 13 174.324 0.007 . 1 . . . A 57 LYS C . 11592 1
534 . 1 1 57 57 LYS CA C 13 54.546 0.078 . 1 . . . A 57 LYS CA . 11592 1
535 . 1 1 57 57 LYS CB C 13 35.958 0.156 . 1 . . . A 57 LYS CB . 11592 1
536 . 1 1 57 57 LYS H H 1 8.801 0.009 . 1 . . . A 57 LYS H . 11592 1
537 . 1 1 57 57 LYS HA H 1 5.404 0.023 . 1 . . . A 57 LYS HA . 11592 1
538 . 1 1 57 57 LYS HB2 H 1 1.9 0.004 . 2 . . . A 57 LYS HB2 . 11592 1
539 . 1 1 57 57 LYS HB3 H 1 1.62 0.019 . 2 . . . A 57 LYS HB3 . 11592 1
540 . 1 1 57 57 LYS N N 15 126.019 0.048 . 1 . . . A 57 LYS N . 11592 1
541 . 1 1 58 58 LEU C C 13 174.265 0 . 1 . . . A 58 LEU C . 11592 1
542 . 1 1 58 58 LEU CA C 13 52.472 0.184 . 1 . . . A 58 LEU CA . 11592 1
543 . 1 1 58 58 LEU CB C 13 42.425 0.098 . 1 . . . A 58 LEU CB . 11592 1
544 . 1 1 58 58 LEU CD1 C 13 25.834 0.091 . 2 . . . A 58 LEU CD1 . 11592 1
545 . 1 1 58 58 LEU CD2 C 13 23.38 0.077 . 2 . . . A 58 LEU CD2 . 11592 1
546 . 1 1 58 58 LEU H H 1 9.236 0.011 . 1 . . . A 58 LEU H . 11592 1
547 . 1 1 58 58 LEU HA H 1 4.638 0.027 . 1 . . . A 58 LEU HA . 11592 1
548 . 1 1 58 58 LEU HB2 H 1 1.547 0.03 . 2 . . . A 58 LEU HB2 . 11592 1
549 . 1 1 58 58 LEU HB3 H 1 0.301 0.031 . 2 . . . A 58 LEU HB3 . 11592 1
550 . 1 1 58 58 LEU N N 15 126.375 0.07 . 1 . . . A 58 LEU N . 11592 1
551 . 1 1 58 58 LEU HD11 H 1 0.548 0.038 . 2 . . . A 58 LEU HD11 . 11592 1
552 . 1 1 58 58 LEU HD12 H 1 0.548 0.038 . 2 . . . A 58 LEU HD12 . 11592 1
553 . 1 1 58 58 LEU HD13 H 1 0.548 0.038 . 2 . . . A 58 LEU HD13 . 11592 1
554 . 1 1 58 58 LEU HD21 H 1 0.071 0.046 . 2 . . . A 58 LEU HD21 . 11592 1
555 . 1 1 58 58 LEU HD22 H 1 0.071 0.046 . 2 . . . A 58 LEU HD22 . 11592 1
556 . 1 1 58 58 LEU HD23 H 1 0.071 0.046 . 2 . . . A 58 LEU HD23 . 11592 1
557 . 1 1 59 59 ASN C C 13 174.793 0.013 . 1 . . . A 59 ASN C . 11592 1
558 . 1 1 59 59 ASN CA C 13 51.132 0.075 . 1 . . . A 59 ASN CA . 11592 1
559 . 1 1 59 59 ASN CB C 13 38.671 0.468 . 1 . . . A 59 ASN CB . 11592 1
560 . 1 1 59 59 ASN H H 1 8.183 0.018 . 1 . . . A 59 ASN H . 11592 1
561 . 1 1 59 59 ASN HA H 1 5.062 0.02 . 1 . . . A 59 ASN HA . 11592 1
562 . 1 1 59 59 ASN HB2 H 1 3.034 0.03 . 2 . . . A 59 ASN HB2 . 11592 1
563 . 1 1 59 59 ASN HB3 H 1 2.575 0.032 . 2 . . . A 59 ASN HB3 . 11592 1
564 . 1 1 59 59 ASN HD21 H 1 6.607 0.01 . 2 . . . A 59 ASN HD21 . 11592 1
565 . 1 1 59 59 ASN HD22 H 1 7.221 0.002 . 2 . . . A 59 ASN HD22 . 11592 1
566 . 1 1 59 59 ASN N N 15 121.133 0.063 . 1 . . . A 59 ASN N . 11592 1
567 . 1 1 59 59 ASN ND2 N 15 106.119 0.006 . 1 . . . A 59 ASN ND2 . 11592 1
568 . 1 1 60 60 TRP C C 13 176.603 0 . 1 . . . A 60 TRP C . 11592 1
569 . 1 1 60 60 TRP CA C 13 58.286 0.155 . 1 . . . A 60 TRP CA . 11592 1
570 . 1 1 60 60 TRP CB C 13 31.121 0.047 . 1 . . . A 60 TRP CB . 11592 1
571 . 1 1 60 60 TRP CE3 C 13 122.63 0 . 1 . . . A 60 TRP CE3 . 11592 1
572 . 1 1 60 60 TRP CZ3 C 13 122.989 0 . 1 . . . A 60 TRP CZ3 . 11592 1
573 . 1 1 60 60 TRP H H 1 9.041 0.012 . 1 . . . A 60 TRP H . 11592 1
574 . 1 1 60 60 TRP HA H 1 4.75 0.012 . 1 . . . A 60 TRP HA . 11592 1
575 . 1 1 60 60 TRP HB2 H 1 3.901 0.032 . 2 . . . A 60 TRP HB2 . 11592 1
576 . 1 1 60 60 TRP HB3 H 1 3.477 0.024 . 2 . . . A 60 TRP HB3 . 11592 1
577 . 1 1 60 60 TRP HE1 H 1 10.255 0.008 . 1 . . . A 60 TRP HE1 . 11592 1
578 . 1 1 60 60 TRP HE3 H 1 8.245 0.007 . 1 . . . A 60 TRP HE3 . 11592 1
579 . 1 1 60 60 TRP HZ3 H 1 6.434 0.027 . 1 . . . A 60 TRP HZ3 . 11592 1
580 . 1 1 60 60 TRP N N 15 124.346 0.05 . 1 . . . A 60 TRP N . 11592 1
581 . 1 1 60 60 TRP NE1 N 15 129.01 0 . 1 . . . A 60 TRP NE1 . 11592 1
582 . 1 1 61 61 GLU C C 13 176.193 0 . 1 . . . A 61 GLU C . 11592 1
583 . 1 1 61 61 GLU CA C 13 56.105 0.134 . 1 . . . A 61 GLU CA . 11592 1
584 . 1 1 61 61 GLU CB C 13 27.763 0.037 . 1 . . . A 61 GLU CB . 11592 1
585 . 1 1 61 61 GLU H H 1 7.774 0.013 . 1 . . . A 61 GLU H . 11592 1
586 . 1 1 61 61 GLU HA H 1 4.703 0.028 . 1 . . . A 61 GLU HA . 11592 1
587 . 1 1 61 61 GLU HB2 H 1 1.839 0.029 . 2 . . . A 61 GLU HB2 . 11592 1
588 . 1 1 61 61 GLU HB3 H 1 0.35 0.029 . 2 . . . A 61 GLU HB3 . 11592 1
589 . 1 1 61 61 GLU N N 15 122.251 0.035 . 1 . . . A 61 GLU N . 11592 1
590 . 1 1 62 62 ASP C C 13 176.471 0.034 . 1 . . . A 62 ASP C . 11592 1
591 . 1 1 62 62 ASP CA C 13 57.826 0.173 . 1 . . . A 62 ASP CA . 11592 1
592 . 1 1 62 62 ASP CB C 13 39.803 0.129 . 1 . . . A 62 ASP CB . 11592 1
593 . 1 1 62 62 ASP H H 1 7.16 0.008 . 1 . . . A 62 ASP H . 11592 1
594 . 1 1 62 62 ASP HA H 1 4.3 0.026 . 1 . . . A 62 ASP HA . 11592 1
595 . 1 1 62 62 ASP HB2 H 1 2.535 0.023 . 1 . . . A 62 ASP HB2 . 11592 1
596 . 1 1 62 62 ASP N N 15 118.453 0 . 1 . . . A 62 ASP N . 11592 1
597 . 1 1 63 63 ALA C C 13 174.47 0.019 . 1 . . . A 63 ALA C . 11592 1
598 . 1 1 63 63 ALA CA C 13 50.5 0.12 . 1 . . . A 63 ALA CA . 11592 1
599 . 1 1 63 63 ALA CB C 13 16.062 0.126 . 1 . . . A 63 ALA CB . 11592 1
600 . 1 1 63 63 ALA H H 1 8.42 0.007 . 1 . . . A 63 ALA H . 11592 1
601 . 1 1 63 63 ALA HA H 1 4.449 0.025 . 1 . . . A 63 ALA HA . 11592 1
602 . 1 1 63 63 ALA N N 15 121.653 0.041 . 1 . . . A 63 ALA N . 11592 1
603 . 1 1 63 63 ALA HB1 H 1 0.995 0.024 . 1 . . . A 63 ALA HB1 . 11592 1
604 . 1 1 63 63 ALA HB2 H 1 0.995 0.024 . 1 . . . A 63 ALA HB2 . 11592 1
605 . 1 1 63 63 ALA HB3 H 1 0.995 0.024 . 1 . . . A 63 ALA HB3 . 11592 1
606 . 1 1 64 64 TYR C C 13 174.689 0 . 1 . . . A 64 TYR C . 11592 1
607 . 1 1 64 64 TYR CA C 13 54.852 0 . 1 . . . A 64 TYR CA . 11592 1
608 . 1 1 64 64 TYR CB C 13 39.244 0 . 1 . . . A 64 TYR CB . 11592 1
609 . 1 1 64 64 TYR CD1 C 13 133.483 0 . 1 . . . A 64 TYR CD1 . 11592 1
610 . 1 1 64 64 TYR H H 1 7.298 0.007 . 1 . . . A 64 TYR H . 11592 1
611 . 1 1 64 64 TYR HD2 H 1 6.061 0.023 . 1 . . . A 64 TYR HD2 . 11592 1
612 . 1 1 64 64 TYR N N 15 117.859 0.079 . 1 . . . A 64 TYR N . 11592 1
613 . 1 1 65 65 ALA C C 13 175.887 0 . 1 . . . A 65 ALA C . 11592 1
614 . 1 1 65 65 ALA CA C 13 49.892 0.134 . 1 . . . A 65 ALA CA . 11592 1
615 . 1 1 65 65 ALA CB C 13 21.687 0.091 . 1 . . . A 65 ALA CB . 11592 1
616 . 1 1 65 65 ALA HA H 1 4.985 0.032 . 1 . . . A 65 ALA HA . 11592 1
617 . 1 1 65 65 ALA HB1 H 1 1.383 0.034 . 1 . . . A 65 ALA HB1 . 11592 1
618 . 1 1 65 65 ALA HB2 H 1 1.383 0.034 . 1 . . . A 65 ALA HB2 . 11592 1
619 . 1 1 65 65 ALA HB3 H 1 1.383 0.034 . 1 . . . A 65 ALA HB3 . 11592 1
620 . 1 1 66 66 THR C C 13 174.693 0.006 . 1 . . . A 66 THR C . 11592 1
621 . 1 1 66 66 THR CA C 13 62.223 0.305 . 1 . . . A 66 THR CA . 11592 1
622 . 1 1 66 66 THR CB C 13 68.19 0.15 . 1 . . . A 66 THR CB . 11592 1
623 . 1 1 66 66 THR CG2 C 13 21.513 0.207 . 1 . . . A 66 THR CG2 . 11592 1
624 . 1 1 66 66 THR H H 1 8.045 0.019 . 1 . . . A 66 THR H . 11592 1
625 . 1 1 66 66 THR HA H 1 4.347 0.029 . 1 . . . A 66 THR HA . 11592 1
626 . 1 1 66 66 THR HB H 1 4.062 0.018 . 1 . . . A 66 THR HB . 11592 1
627 . 1 1 66 66 THR N N 15 114.102 0.025 . 1 . . . A 66 THR N . 11592 1
628 . 1 1 66 66 THR HG21 H 1 1.044 0.036 . 1 . . . A 66 THR HG21 . 11592 1
629 . 1 1 66 66 THR HG22 H 1 1.044 0.036 . 1 . . . A 66 THR HG22 . 11592 1
630 . 1 1 66 66 THR HG23 H 1 1.044 0.036 . 1 . . . A 66 THR HG23 . 11592 1
631 . 1 1 67 67 ALA C C 13 175.735 0.025 . 1 . . . A 67 ALA C . 11592 1
632 . 1 1 67 67 ALA CA C 13 50.738 0.063 . 1 . . . A 67 ALA CA . 11592 1
633 . 1 1 67 67 ALA CB C 13 21.596 0.039 . 1 . . . A 67 ALA CB . 11592 1
634 . 1 1 67 67 ALA H H 1 7.354 0.009 . 1 . . . A 67 ALA H . 11592 1
635 . 1 1 67 67 ALA HA H 1 5.484 0.018 . 1 . . . A 67 ALA HA . 11592 1
636 . 1 1 67 67 ALA N N 15 121.103 0.057 . 1 . . . A 67 ALA N . 11592 1
637 . 1 1 67 67 ALA HB1 H 1 1.414 0.018 . 1 . . . A 67 ALA HB1 . 11592 1
638 . 1 1 67 67 ALA HB2 H 1 1.414 0.018 . 1 . . . A 67 ALA HB2 . 11592 1
639 . 1 1 67 67 ALA HB3 H 1 1.414 0.018 . 1 . . . A 67 ALA HB3 . 11592 1
640 . 1 1 68 68 TYR C C 13 172.387 0.013 . 1 . . . A 68 TYR C . 11592 1
641 . 1 1 68 68 TYR CA C 13 56.574 0.059 . 1 . . . A 68 TYR CA . 11592 1
642 . 1 1 68 68 TYR CB C 13 39.492 0.073 . 1 . . . A 68 TYR CB . 11592 1
643 . 1 1 68 68 TYR CD2 C 13 129.61 0 . 1 . . . A 68 TYR CD2 . 11592 1
644 . 1 1 68 68 TYR CE1 C 13 113.979 0 . 1 . . . A 68 TYR CE1 . 11592 1
645 . 1 1 68 68 TYR H H 1 7.869 0.009 . 1 . . . A 68 TYR H . 11592 1
646 . 1 1 68 68 TYR HA H 1 5.514 0.021 . 1 . . . A 68 TYR HA . 11592 1
647 . 1 1 68 68 TYR HB2 H 1 3.196 0.035 . 2 . . . A 68 TYR HB2 . 11592 1
648 . 1 1 68 68 TYR HB3 H 1 2.928 0.031 . 2 . . . A 68 TYR HB3 . 11592 1
649 . 1 1 68 68 TYR HD1 H 1 6.896 0.028 . 3 . . . A 68 TYR HD1 . 11592 1
650 . 1 1 68 68 TYR HD2 H 1 7.167 0.031 . 3 . . . A 68 TYR HD2 . 11592 1
651 . 1 1 68 68 TYR N N 15 116.927 0.054 . 1 . . . A 68 TYR N . 11592 1
652 . 1 1 68 68 TYR HE1 H 1 5.966 0.022 . 1 . . . A 68 TYR HE1 . 11592 1
653 . 1 1 68 68 TYR HE2 H 1 5.966 0.022 . 1 . . . A 68 TYR HE2 . 11592 1
654 . 1 1 69 69 SER C C 13 173.239 0.019 . 1 . . . A 69 SER C . 11592 1
655 . 1 1 69 69 SER CA C 13 56.579 0.09 . 1 . . . A 69 SER CA . 11592 1
656 . 1 1 69 69 SER CB C 13 66.725 0.06 . 1 . . . A 69 SER CB . 11592 1
657 . 1 1 69 69 SER H H 1 9.403 0.006 . 1 . . . A 69 SER H . 11592 1
658 . 1 1 69 69 SER HA H 1 5.443 0.024 . 1 . . . A 69 SER HA . 11592 1
659 . 1 1 69 69 SER HB2 H 1 3.905 0.009 . 2 . . . A 69 SER HB2 . 11592 1
660 . 1 1 69 69 SER HB3 H 1 3.772 0.005 . 2 . . . A 69 SER HB3 . 11592 1
661 . 1 1 69 69 SER N N 15 112.355 0.056 . 1 . . . A 69 SER N . 11592 1
662 . 1 1 70 70 ILE C C 13 175.732 0.006 . 1 . . . A 70 ILE C . 11592 1
663 . 1 1 70 70 ILE CA C 13 58.81 0.16 . 1 . . . A 70 ILE CA . 11592 1
664 . 1 1 70 70 ILE CB C 13 37.757 0.109 . 1 . . . A 70 ILE CB . 11592 1
665 . 1 1 70 70 ILE CD1 C 13 12.324 0.097 . 1 . . . A 70 ILE CD1 . 11592 1
666 . 1 1 70 70 ILE CG1 C 13 27.494 0.146 . 1 . . . A 70 ILE CG1 . 11592 1
667 . 1 1 70 70 ILE CG2 C 13 16.887 0.11 . 1 . . . A 70 ILE CG2 . 11592 1
668 . 1 1 70 70 ILE H H 1 9.35 0.01 . 1 . . . A 70 ILE H . 11592 1
669 . 1 1 70 70 ILE HA H 1 5.308 0.026 . 1 . . . A 70 ILE HA . 11592 1
670 . 1 1 70 70 ILE HB H 1 1.897 0.018 . 1 . . . A 70 ILE HB . 11592 1
671 . 1 1 70 70 ILE HG12 H 1 1.704 0.01 . 1 . . . A 70 ILE HG12 . 11592 1
672 . 1 1 70 70 ILE HG13 H 1 1.581 0.003 . 1 . . . A 70 ILE HG13 . 11592 1
673 . 1 1 70 70 ILE N N 15 121.774 0.048 . 1 . . . A 70 ILE N . 11592 1
674 . 1 1 70 70 ILE HD11 H 1 0.978 0.043 . 1 . . . A 70 ILE HD11 . 11592 1
675 . 1 1 70 70 ILE HD12 H 1 0.978 0.043 . 1 . . . A 70 ILE HD12 . 11592 1
676 . 1 1 70 70 ILE HD13 H 1 0.978 0.043 . 1 . . . A 70 ILE HD13 . 11592 1
677 . 1 1 70 70 ILE HG21 H 1 0.752 0.025 . 1 . . . A 70 ILE HG21 . 11592 1
678 . 1 1 70 70 ILE HG22 H 1 0.752 0.025 . 1 . . . A 70 ILE HG22 . 11592 1
679 . 1 1 70 70 ILE HG23 H 1 0.752 0.025 . 1 . . . A 70 ILE HG23 . 11592 1
680 . 1 1 71 71 GLN C C 13 174.538 0 . 1 . . . A 71 GLN C . 11592 1
681 . 1 1 71 71 GLN CA C 13 52.599 0.071 . 1 . . . A 71 GLN CA . 11592 1
682 . 1 1 71 71 GLN CB C 13 34.498 0.055 . 1 . . . A 71 GLN CB . 11592 1
683 . 1 1 71 71 GLN H H 1 9.492 0.01 . 1 . . . A 71 GLN H . 11592 1
684 . 1 1 71 71 GLN HA H 1 5.661 0.027 . 1 . . . A 71 GLN HA . 11592 1
685 . 1 1 71 71 GLN HB2 H 1 1.937 0.04 . 2 . . . A 71 GLN HB2 . 11592 1
686 . 1 1 71 71 GLN HB3 H 1 1.653 0.032 . 2 . . . A 71 GLN HB3 . 11592 1
687 . 1 1 71 71 GLN N N 15 125.576 0.063 . 1 . . . A 71 GLN N . 11592 1
688 . 1 1 72 72 VAL C C 13 175.131 0.013 . 1 . . . A 72 VAL C . 11592 1
689 . 1 1 72 72 VAL CA C 13 58.412 0.077 . 1 . . . A 72 VAL CA . 11592 1
690 . 1 1 72 72 VAL CB C 13 35.972 0.203 . 1 . . . A 72 VAL CB . 11592 1
691 . 1 1 72 72 VAL CG1 C 13 18.066 0.082 . 2 . . . A 72 VAL CG1 . 11592 1
692 . 1 1 72 72 VAL CG2 C 13 21.969 0.312 . 2 . . . A 72 VAL CG2 . 11592 1
693 . 1 1 72 72 VAL H H 1 9.46 0.008 . 1 . . . A 72 VAL H . 11592 1
694 . 1 1 72 72 VAL HA H 1 5.863 0.026 . 1 . . . A 72 VAL HA . 11592 1
695 . 1 1 72 72 VAL HB H 1 2.345 0.025 . 1 . . . A 72 VAL HB . 11592 1
696 . 1 1 72 72 VAL N N 15 112.335 0.045 . 1 . . . A 72 VAL N . 11592 1
697 . 1 1 72 72 VAL HG21 H 1 0.875 0.026 . 1 . . . A 72 VAL HG21 . 11592 1
698 . 1 1 72 72 VAL HG22 H 1 0.875 0.026 . 1 . . . A 72 VAL HG22 . 11592 1
699 . 1 1 72 72 VAL HG23 H 1 0.875 0.026 . 1 . . . A 72 VAL HG23 . 11592 1
700 . 1 1 73 73 SER C C 13 174.921 0 . 1 . . . A 73 SER C . 11592 1
701 . 1 1 73 73 SER CA C 13 56.488 0.091 . 1 . . . A 73 SER CA . 11592 1
702 . 1 1 73 73 SER CB C 13 64.909 0.036 . 1 . . . A 73 SER CB . 11592 1
703 . 1 1 73 73 SER H H 1 8.491 0.007 . 1 . . . A 73 SER H . 11592 1
704 . 1 1 73 73 SER HA H 1 4.649 0.064 . 1 . . . A 73 SER HA . 11592 1
705 . 1 1 73 73 SER HB2 H 1 2.598 0.012 . 2 . . . A 73 SER HB2 . 11592 1
706 . 1 1 73 73 SER HB3 H 1 2.435 0.011 . 2 . . . A 73 SER HB3 . 11592 1
707 . 1 1 73 73 SER N N 15 113.704 0.051 . 1 . . . A 73 SER N . 11592 1
708 . 1 1 74 74 ASN C C 13 173.63 0 . 1 . . . A 74 ASN C . 11592 1
709 . 1 1 74 74 ASN CA C 13 52.572 0.125 . 1 . . . A 74 ASN CA . 11592 1
710 . 1 1 74 74 ASN CB C 13 39.61 0.143 . 1 . . . A 74 ASN CB . 11592 1
711 . 1 1 74 74 ASN H H 1 9.429 0.02 . 1 . . . A 74 ASN H . 11592 1
712 . 1 1 74 74 ASN HA H 1 5.082 0.035 . 1 . . . A 74 ASN HA . 11592 1
713 . 1 1 74 74 ASN HB2 H 1 2.82 0.024 . 2 . . . A 74 ASN HB2 . 11592 1
714 . 1 1 74 74 ASN HD21 H 1 6.524 0.004 . 2 . . . A 74 ASN HD21 . 11592 1
715 . 1 1 74 74 ASN HD22 H 1 6.84 0.007 . 2 . . . A 74 ASN HD22 . 11592 1
716 . 1 1 74 74 ASN N N 15 129.714 0.042 . 1 . . . A 74 ASN N . 11592 1
717 . 1 1 74 74 ASN ND2 N 15 111.492 0.018 . 1 . . . A 74 ASN ND2 . 11592 1
718 . 1 1 75 75 ASP C C 13 175.368 0.026 . 1 . . . A 75 ASP C . 11592 1
719 . 1 1 75 75 ASP CA C 13 55.68 0.114 . 1 . . . A 75 ASP CA . 11592 1
720 . 1 1 75 75 ASP CB C 13 41.347 0.162 . 1 . . . A 75 ASP CB . 11592 1
721 . 1 1 75 75 ASP H H 1 7.745 0.007 . 1 . . . A 75 ASP H . 11592 1
722 . 1 1 75 75 ASP HA H 1 4.279 0.024 . 1 . . . A 75 ASP HA . 11592 1
723 . 1 1 75 75 ASP HB2 H 1 2.73 0.017 . 2 . . . A 75 ASP HB2 . 11592 1
724 . 1 1 75 75 ASP HB3 H 1 1.922 0.026 . 2 . . . A 75 ASP HB3 . 11592 1
725 . 1 1 75 75 ASP N N 15 121.176 0.045 . 1 . . . A 75 ASP N . 11592 1
726 . 1 1 76 76 SER C C 13 175.254 0.065 . 1 . . . A 76 SER C . 11592 1
727 . 1 1 76 76 SER CA C 13 58.557 0.162 . 1 . . . A 76 SER CA . 11592 1
728 . 1 1 76 76 SER CB C 13 63.837 0.11 . 1 . . . A 76 SER CB . 11592 1
729 . 1 1 76 76 SER H H 1 8.28 0.008 . 1 . . . A 76 SER H . 11592 1
730 . 1 1 76 76 SER HA H 1 4.231 0.018 . 1 . . . A 76 SER HA . 11592 1
731 . 1 1 76 76 SER HB2 H 1 3.82 0.029 . 2 . . . A 76 SER HB2 . 11592 1
732 . 1 1 76 76 SER N N 15 113.755 0.063 . 1 . . . A 76 SER N . 11592 1
733 . 1 1 77 77 GLY C C 13 173.786 0 . 1 . . . A 77 GLY C . 11592 1
734 . 1 1 77 77 GLY CA C 13 44.534 0.061 . 1 . . . A 77 GLY CA . 11592 1
735 . 1 1 77 77 GLY H H 1 8.167 0.009 . 1 . . . A 77 GLY H . 11592 1
736 . 1 1 77 77 GLY HA3 H 1 4.008 0.008 . 1 . . . A 77 GLY HA3 . 11592 1
737 . 1 1 77 77 GLY N N 15 109.596 0.059 . 1 . . . A 77 GLY N . 11592 1
738 . 1 1 78 78 SER C C 13 174.265 0 . 1 . . . A 78 SER C . 11592 1
739 . 1 1 78 78 SER CA C 13 59.69 0.174 . 1 . . . A 78 SER CA . 11592 1
740 . 1 1 78 78 SER CB C 13 63.908 0.051 . 1 . . . A 78 SER CB . 11592 1
741 . 1 1 78 78 SER H H 1 8.447 0.009 . 1 . . . A 78 SER H . 11592 1
742 . 1 1 78 78 SER HA H 1 4.476 0.035 . 1 . . . A 78 SER HA . 11592 1
743 . 1 1 78 78 SER HB2 H 1 3.92 0.034 . 2 . . . A 78 SER HB2 . 11592 1
744 . 1 1 78 78 SER N N 15 112.704 0.033 . 1 . . . A 78 SER N . 11592 1
745 . 1 1 79 79 THR C C 13 171.174 0 . 1 . . . A 79 THR C . 11592 1
746 . 1 1 79 79 THR CA C 13 58.202 0.147 . 1 . . . A 79 THR CA . 11592 1
747 . 1 1 79 79 THR CB C 13 70.365 0.077 . 1 . . . A 79 THR CB . 11592 1
748 . 1 1 79 79 THR CG2 C 13 21.565 0.157 . 1 . . . A 79 THR CG2 . 11592 1
749 . 1 1 79 79 THR H H 1 7.759 0.01 . 1 . . . A 79 THR H . 11592 1
750 . 1 1 79 79 THR HA H 1 4.502 0.036 . 1 . . . A 79 THR HA . 11592 1
751 . 1 1 79 79 THR N N 15 114.775 0.051 . 1 . . . A 79 THR N . 11592 1
752 . 1 1 79 79 THR HG21 H 1 1.003 0.026 . 1 . . . A 79 THR HG21 . 11592 1
753 . 1 1 79 79 THR HG22 H 1 1.003 0.026 . 1 . . . A 79 THR HG22 . 11592 1
754 . 1 1 79 79 THR HG23 H 1 1.003 0.026 . 1 . . . A 79 THR HG23 . 11592 1
755 . 1 1 80 80 PRO C C 13 175.687 0 . 1 . . . A 80 PRO C . 11592 1
756 . 1 1 80 80 PRO CA C 13 61.525 0.075 . 1 . . . A 80 PRO CA . 11592 1
757 . 1 1 80 80 PRO CB C 13 31.199 0.029 . 1 . . . A 80 PRO CB . 11592 1
758 . 1 1 80 80 PRO CD C 13 49.833 0.062 . 1 . . . A 80 PRO CD . 11592 1
759 . 1 1 80 80 PRO CG C 13 26.637 0.184 . 1 . . . A 80 PRO CG . 11592 1
760 . 1 1 80 80 PRO HA H 1 3.612 0.026 . 1 . . . A 80 PRO HA . 11592 1
761 . 1 1 80 80 PRO HB2 H 1 -0.009 0.021 . 2 . . . A 80 PRO HB2 . 11592 1
762 . 1 1 80 80 PRO HB3 H 1 -0.145 0.035 . 2 . . . A 80 PRO HB3 . 11592 1
763 . 1 1 80 80 PRO HD2 H 1 3.214 0.023 . 2 . . . A 80 PRO HD2 . 11592 1
764 . 1 1 80 80 PRO HD3 H 1 2.134 0.032 . 2 . . . A 80 PRO HD3 . 11592 1
765 . 1 1 80 80 PRO HG2 H 1 -0.088 0.51 . 1 . . . A 80 PRO HG2 . 11592 1
766 . 1 1 81 81 THR C C 13 172.779 0.007 . 1 . . . A 81 THR C . 11592 1
767 . 1 1 81 81 THR CA C 13 62.42 0.029 . 1 . . . A 81 THR CA . 11592 1
768 . 1 1 81 81 THR CB C 13 70.689 0.096 . 1 . . . A 81 THR CB . 11592 1
769 . 1 1 81 81 THR CG2 C 13 21.362 0.283 . 1 . . . A 81 THR CG2 . 11592 1
770 . 1 1 81 81 THR H H 1 8.547 0.008 . 1 . . . A 81 THR H . 11592 1
771 . 1 1 81 81 THR HA H 1 3.937 0.013 . 1 . . . A 81 THR HA . 11592 1
772 . 1 1 81 81 THR HB H 1 3.747 0.028 . 1 . . . A 81 THR HB . 11592 1
773 . 1 1 81 81 THR N N 15 113.755 0.051 . 1 . . . A 81 THR N . 11592 1
774 . 1 1 81 81 THR HG21 H 1 0.863 0.029 . 1 . . . A 81 THR HG21 . 11592 1
775 . 1 1 81 81 THR HG22 H 1 0.863 0.029 . 1 . . . A 81 THR HG22 . 11592 1
776 . 1 1 81 81 THR HG23 H 1 0.863 0.029 . 1 . . . A 81 THR HG23 . 11592 1
777 . 1 1 82 82 ASN C C 13 173.321 0.019 . 1 . . . A 82 ASN C . 11592 1
778 . 1 1 82 82 ASN CA C 13 53.087 0.141 . 1 . . . A 82 ASN CA . 11592 1
779 . 1 1 82 82 ASN CB C 13 39.365 0.101 . 1 . . . A 82 ASN CB . 11592 1
780 . 1 1 82 82 ASN H H 1 9.105 0.006 . 1 . . . A 82 ASN H . 11592 1
781 . 1 1 82 82 ASN HA H 1 4.608 0.025 . 1 . . . A 82 ASN HA . 11592 1
782 . 1 1 82 82 ASN HB2 H 1 2.876 0.03 . 2 . . . A 82 ASN HB2 . 11592 1
783 . 1 1 82 82 ASN HB3 H 1 2.367 0.042 . 2 . . . A 82 ASN HB3 . 11592 1
784 . 1 1 82 82 ASN HD21 H 1 8.305 0.007 . 2 . . . A 82 ASN HD21 . 11592 1
785 . 1 1 82 82 ASN HD22 H 1 6.815 0.01 . 2 . . . A 82 ASN HD22 . 11592 1
786 . 1 1 82 82 ASN N N 15 123.502 0.059 . 1 . . . A 82 ASN N . 11592 1
787 . 1 1 82 82 ASN ND2 N 15 118.082 0.002 . 1 . . . A 82 ASN ND2 . 11592 1
788 . 1 1 83 83 TRP C C 13 176.411 0 . 1 . . . A 83 TRP C . 11592 1
789 . 1 1 83 83 TRP CA C 13 55.205 0.144 . 1 . . . A 83 TRP CA . 11592 1
790 . 1 1 83 83 TRP CB C 13 32.536 0.096 . 1 . . . A 83 TRP CB . 11592 1
791 . 1 1 83 83 TRP H H 1 8.421 0.01 . 1 . . . A 83 TRP H . 11592 1
792 . 1 1 83 83 TRP HA H 1 4.906 0.021 . 1 . . . A 83 TRP HA . 11592 1
793 . 1 1 83 83 TRP HB2 H 1 2.609 0.018 . 2 . . . A 83 TRP HB2 . 11592 1
794 . 1 1 83 83 TRP HE1 H 1 9.281 0.013 . 1 . . . A 83 TRP HE1 . 11592 1
795 . 1 1 83 83 TRP N N 15 123.505 0.058 . 1 . . . A 83 TRP N . 11592 1
796 . 1 1 83 83 TRP NE1 N 15 127.475 0 . 1 . . . A 83 TRP NE1 . 11592 1
797 . 1 1 84 84 THR C C 13 174.589 0 . 1 . . . A 84 THR C . 11592 1
798 . 1 1 84 84 THR CA C 13 61.635 0.081 . 1 . . . A 84 THR CA . 11592 1
799 . 1 1 84 84 THR CB C 13 70.936 0.239 . 1 . . . A 84 THR CB . 11592 1
800 . 1 1 84 84 THR CG2 C 13 21.024 0.143 . 1 . . . A 84 THR CG2 . 11592 1
801 . 1 1 84 84 THR H H 1 9.562 0.005 . 1 . . . A 84 THR H . 11592 1
802 . 1 1 84 84 THR HA H 1 4.614 0.035 . 1 . . . A 84 THR HA . 11592 1
803 . 1 1 84 84 THR HB H 1 3.975 0.016 . 1 . . . A 84 THR HB . 11592 1
804 . 1 1 84 84 THR N N 15 120.065 0.053 . 1 . . . A 84 THR N . 11592 1
805 . 1 1 84 84 THR HG21 H 1 1.084 0.019 . 1 . . . A 84 THR HG21 . 11592 1
806 . 1 1 84 84 THR HG22 H 1 1.084 0.019 . 1 . . . A 84 THR HG22 . 11592 1
807 . 1 1 84 84 THR HG23 H 1 1.084 0.019 . 1 . . . A 84 THR HG23 . 11592 1
808 . 1 1 85 85 THR C C 13 174.306 0 . 1 . . . A 85 THR C . 11592 1
809 . 1 1 85 85 THR CA C 13 64.546 0.18 . 1 . . . A 85 THR CA . 11592 1
810 . 1 1 85 85 THR CB C 13 68.948 0.174 . 1 . . . A 85 THR CB . 11592 1
811 . 1 1 85 85 THR CG2 C 13 22.461 0.077 . 1 . . . A 85 THR CG2 . 11592 1
812 . 1 1 85 85 THR H H 1 9.438 0.005 . 1 . . . A 85 THR H . 11592 1
813 . 1 1 85 85 THR HA H 1 4.385 0.032 . 1 . . . A 85 THR HA . 11592 1
814 . 1 1 85 85 THR HB H 1 4.067 0.014 . 1 . . . A 85 THR HB . 11592 1
815 . 1 1 85 85 THR N N 15 126.651 0.057 . 1 . . . A 85 THR N . 11592 1
816 . 1 1 85 85 THR HG21 H 1 1.183 0.027 . 1 . . . A 85 THR HG21 . 11592 1
817 . 1 1 85 85 THR HG22 H 1 1.183 0.027 . 1 . . . A 85 THR HG22 . 11592 1
818 . 1 1 85 85 THR HG23 H 1 1.183 0.027 . 1 . . . A 85 THR HG23 . 11592 1
819 . 1 1 86 86 VAL C C 13 174.804 0.004 . 1 . . . A 86 VAL C . 11592 1
820 . 1 1 86 86 VAL CA C 13 60.519 0.105 . 1 . . . A 86 VAL CA . 11592 1
821 . 1 1 86 86 VAL CB C 13 32.623 0.119 . 1 . . . A 86 VAL CB . 11592 1
822 . 1 1 86 86 VAL CG1 C 13 17.096 0.083 . 2 . . . A 86 VAL CG1 . 11592 1
823 . 1 1 86 86 VAL CG2 C 13 21.932 0.079 . 2 . . . A 86 VAL CG2 . 11592 1
824 . 1 1 86 86 VAL H H 1 8.725 0.008 . 1 . . . A 86 VAL H . 11592 1
825 . 1 1 86 86 VAL HA H 1 4.486 0.026 . 1 . . . A 86 VAL HA . 11592 1
826 . 1 1 86 86 VAL HB H 1 1.769 0.04 . 1 . . . A 86 VAL HB . 11592 1
827 . 1 1 86 86 VAL N N 15 119.745 0.053 . 1 . . . A 86 VAL N . 11592 1
828 . 1 1 86 86 VAL HG11 H 1 -0.19 0.026 . 2 . . . A 86 VAL HG11 . 11592 1
829 . 1 1 86 86 VAL HG12 H 1 -0.19 0.026 . 2 . . . A 86 VAL HG12 . 11592 1
830 . 1 1 86 86 VAL HG13 H 1 -0.19 0.026 . 2 . . . A 86 VAL HG13 . 11592 1
831 . 1 1 86 86 VAL HG21 H 1 0.702 0.052 . 2 . . . A 86 VAL HG21 . 11592 1
832 . 1 1 86 86 VAL HG22 H 1 0.702 0.052 . 2 . . . A 86 VAL HG22 . 11592 1
833 . 1 1 86 86 VAL HG23 H 1 0.702 0.052 . 2 . . . A 86 VAL HG23 . 11592 1
834 . 1 1 87 87 TYR C C 13 172.98 0.009 . 1 . . . A 87 TYR C . 11592 1
835 . 1 1 87 87 TYR CA C 13 58.101 0.055 . 1 . . . A 87 TYR CA . 11592 1
836 . 1 1 87 87 TYR CB C 13 42.084 0.126 . 1 . . . A 87 TYR CB . 11592 1
837 . 1 1 87 87 TYR H H 1 7.549 0.007 . 1 . . . A 87 TYR H . 11592 1
838 . 1 1 87 87 TYR HA H 1 4.627 0.013 . 1 . . . A 87 TYR HA . 11592 1
839 . 1 1 87 87 TYR HB2 H 1 3.237 0.023 . 2 . . . A 87 TYR HB2 . 11592 1
840 . 1 1 87 87 TYR HB3 H 1 2.288 0.025 . 2 . . . A 87 TYR HB3 . 11592 1
841 . 1 1 87 87 TYR N N 15 121.195 0.077 . 1 . . . A 87 TYR N . 11592 1
842 . 1 1 88 88 SER C C 13 170.693 0.002 . 1 . . . A 88 SER C . 11592 1
843 . 1 1 88 88 SER CA C 13 57.06 0.089 . 1 . . . A 88 SER CA . 11592 1
844 . 1 1 88 88 SER CB C 13 65.609 0.094 . 1 . . . A 88 SER CB . 11592 1
845 . 1 1 88 88 SER H H 1 7.563 0.011 . 1 . . . A 88 SER H . 11592 1
846 . 1 1 88 88 SER HA H 1 4.755 0.039 . 1 . . . A 88 SER HA . 11592 1
847 . 1 1 88 88 SER HB2 H 1 3.566 0.027 . 2 . . . A 88 SER HB2 . 11592 1
848 . 1 1 88 88 SER N N 15 121.641 0.081 . 1 . . . A 88 SER N . 11592 1
849 . 1 1 89 89 THR C C 13 173.321 0 . 1 . . . A 89 THR C . 11592 1
850 . 1 1 89 89 THR CA C 13 59.606 0.189 . 1 . . . A 89 THR CA . 11592 1
851 . 1 1 89 89 THR CB C 13 70.088 0.127 . 1 . . . A 89 THR CB . 11592 1
852 . 1 1 89 89 THR CG2 C 13 19.455 0.641 . 1 . . . A 89 THR CG2 . 11592 1
853 . 1 1 89 89 THR H H 1 8.06 0.007 . 1 . . . A 89 THR H . 11592 1
854 . 1 1 89 89 THR HA H 1 4.625 0.039 . 1 . . . A 89 THR HA . 11592 1
855 . 1 1 89 89 THR HB H 1 3.816 0.023 . 1 . . . A 89 THR HB . 11592 1
856 . 1 1 89 89 THR N N 15 114.258 0.022 . 1 . . . A 89 THR N . 11592 1
857 . 1 1 89 89 THR HG21 H 1 0.519 0.042 . 1 . . . A 89 THR HG21 . 11592 1
858 . 1 1 89 89 THR HG22 H 1 0.519 0.042 . 1 . . . A 89 THR HG22 . 11592 1
859 . 1 1 89 89 THR HG23 H 1 0.519 0.042 . 1 . . . A 89 THR HG23 . 11592 1
860 . 1 1 90 90 THR C C 13 175.686 0.02 . 1 . . . A 90 THR C . 11592 1
861 . 1 1 90 90 THR CA C 13 62.04 0.04 . 1 . . . A 90 THR CA . 11592 1
862 . 1 1 90 90 THR CB C 13 69.01 0.07 . 1 . . . A 90 THR CB . 11592 1
863 . 1 1 90 90 THR CG2 C 13 21.712 0 . 1 . . . A 90 THR CG2 . 11592 1
864 . 1 1 90 90 THR H H 1 8.536 0.014 . 1 . . . A 90 THR H . 11592 1
865 . 1 1 90 90 THR HA H 1 4.693 0.046 . 1 . . . A 90 THR HA . 11592 1
866 . 1 1 90 90 THR HB H 1 4.474 0.017 . 1 . . . A 90 THR HB . 11592 1
867 . 1 1 90 90 THR N N 15 115.967 0.053 . 1 . . . A 90 THR N . 11592 1
868 . 1 1 90 90 THR HG21 H 1 1.108 0.003 . 1 . . . A 90 THR HG21 . 11592 1
869 . 1 1 90 90 THR HG22 H 1 1.108 0.003 . 1 . . . A 90 THR HG22 . 11592 1
870 . 1 1 90 90 THR HG23 H 1 1.108 0.003 . 1 . . . A 90 THR HG23 . 11592 1
871 . 1 1 91 91 THR C C 13 174.967 0.007 . 1 . . . A 91 THR C . 11592 1
872 . 1 1 91 91 THR CA C 13 59.67 0.212 . 1 . . . A 91 THR CA . 11592 1
873 . 1 1 91 91 THR CB C 13 68.167 0.309 . 1 . . . A 91 THR CB . 11592 1
874 . 1 1 91 91 THR CG2 C 13 20.908 0.092 . 1 . . . A 91 THR CG2 . 11592 1
875 . 1 1 91 91 THR H H 1 8.985 0.01 . 1 . . . A 91 THR H . 11592 1
876 . 1 1 91 91 THR HA H 1 4.65 0.021 . 1 . . . A 91 THR HA . 11592 1
877 . 1 1 91 91 THR HB H 1 4.555 0.017 . 1 . . . A 91 THR HB . 11592 1
878 . 1 1 91 91 THR N N 15 116.628 0.037 . 1 . . . A 91 THR N . 11592 1
879 . 1 1 91 91 THR HG21 H 1 1.041 0.028 . 1 . . . A 91 THR HG21 . 11592 1
880 . 1 1 91 91 THR HG22 H 1 1.041 0.028 . 1 . . . A 91 THR HG22 . 11592 1
881 . 1 1 91 91 THR HG23 H 1 1.041 0.028 . 1 . . . A 91 THR HG23 . 11592 1
882 . 1 1 92 92 GLY C C 13 174.128 0 . 1 . . . A 92 GLY C . 11592 1
883 . 1 1 92 92 GLY CA C 13 46.614 0.072 . 1 . . . A 92 GLY CA . 11592 1
884 . 1 1 92 92 GLY H H 1 9.646 0.007 . 1 . . . A 92 GLY H . 11592 1
885 . 1 1 92 92 GLY HA2 H 1 3.915 0.028 . 1 . . . A 92 GLY HA2 . 11592 1
886 . 1 1 92 92 GLY HA3 H 1 4.225 0.027 . 1 . . . A 92 GLY HA3 . 11592 1
887 . 1 1 92 92 GLY N N 15 113.94 0.063 . 1 . . . A 92 GLY N . 11592 1
888 . 1 1 93 93 ASP C C 13 177.651 0.025 . 1 . . . A 93 ASP C . 11592 1
889 . 1 1 93 93 ASP CA C 13 51.994 0.136 . 1 . . . A 93 ASP CA . 11592 1
890 . 1 1 93 93 ASP CB C 13 41.177 0.065 . 1 . . . A 93 ASP CB . 11592 1
891 . 1 1 93 93 ASP H H 1 8.148 0.009 . 1 . . . A 93 ASP H . 11592 1
892 . 1 1 93 93 ASP HA H 1 4.633 0.011 . 1 . . . A 93 ASP HA . 11592 1
893 . 1 1 93 93 ASP HB2 H 1 3.099 0.001 . 2 . . . A 93 ASP HB2 . 11592 1
894 . 1 1 93 93 ASP HB3 H 1 2.511 0.001 . 2 . . . A 93 ASP HB3 . 11592 1
895 . 1 1 93 93 ASP N N 15 122.333 0.005 . 1 . . . A 93 ASP N . 11592 1
896 . 1 1 94 94 GLY C C 13 172.966 0 . 1 . . . A 94 GLY C . 11592 1
897 . 1 1 94 94 GLY CA C 13 43.772 0.284 . 1 . . . A 94 GLY CA . 11592 1
898 . 1 1 94 94 GLY H H 1 9.095 0.007 . 1 . . . A 94 GLY H . 11592 1
899 . 1 1 94 94 GLY HA2 H 1 2.205 0.035 . 2 . . . A 94 GLY HA2 . 11592 1
900 . 1 1 94 94 GLY HA3 H 1 2.624 0.031 . 2 . . . A 94 GLY HA3 . 11592 1
901 . 1 1 94 94 GLY N N 15 113.069 0 . 1 . . . A 94 GLY N . 11592 1
902 . 1 1 95 95 ALA C C 13 175.509 0.019 . 1 . . . A 95 ALA C . 11592 1
903 . 1 1 95 95 ALA CA C 13 53.433 0.299 . 1 . . . A 95 ALA CA . 11592 1
904 . 1 1 95 95 ALA CB C 13 17.431 0.058 . 1 . . . A 95 ALA CB . 11592 1
905 . 1 1 95 95 ALA H H 1 9.465 0.005 . 1 . . . A 95 ALA H . 11592 1
906 . 1 1 95 95 ALA HA H 1 4.059 0.027 . 1 . . . A 95 ALA HA . 11592 1
907 . 1 1 95 95 ALA N N 15 127.24 0 . 1 . . . A 95 ALA N . 11592 1
908 . 1 1 95 95 ALA HB1 H 1 1.476 0.023 . 1 . . . A 95 ALA HB1 . 11592 1
909 . 1 1 95 95 ALA HB2 H 1 1.476 0.023 . 1 . . . A 95 ALA HB2 . 11592 1
910 . 1 1 95 95 ALA HB3 H 1 1.476 0.023 . 1 . . . A 95 ALA HB3 . 11592 1
911 . 1 1 96 96 ILE C C 13 179.671 0.013 . 1 . . . A 96 ILE C . 11592 1
912 . 1 1 96 96 ILE CA C 13 59.657 0.275 . 1 . . . A 96 ILE CA . 11592 1
913 . 1 1 96 96 ILE CB C 13 36.684 0.131 . 1 . . . A 96 ILE CB . 11592 1
914 . 1 1 96 96 ILE CD1 C 13 10.786 0.237 . 1 . . . A 96 ILE CD1 . 11592 1
915 . 1 1 96 96 ILE CG1 C 13 27.811 0.506 . 1 . . . A 96 ILE CG1 . 11592 1
916 . 1 1 96 96 ILE CG2 C 13 18.209 0.265 . 1 . . . A 96 ILE CG2 . 11592 1
917 . 1 1 96 96 ILE H H 1 7.749 0.007 . 1 . . . A 96 ILE H . 11592 1
918 . 1 1 96 96 ILE HA H 1 5.156 0.022 . 1 . . . A 96 ILE HA . 11592 1
919 . 1 1 96 96 ILE HB H 1 2.035 0.031 . 1 . . . A 96 ILE HB . 11592 1
920 . 1 1 96 96 ILE HG12 H 1 1.493 0.02 . 1 . . . A 96 ILE HG12 . 11592 1
921 . 1 1 96 96 ILE HG13 H 1 1.372 0.003 . 1 . . . A 96 ILE HG13 . 11592 1
922 . 1 1 96 96 ILE N N 15 120.865 0.005 . 1 . . . A 96 ILE N . 11592 1
923 . 1 1 96 96 ILE HD11 H 1 0.744 0.037 . 1 . . . A 96 ILE HD11 . 11592 1
924 . 1 1 96 96 ILE HD12 H 1 0.744 0.037 . 1 . . . A 96 ILE HD12 . 11592 1
925 . 1 1 96 96 ILE HD13 H 1 0.744 0.037 . 1 . . . A 96 ILE HD13 . 11592 1
926 . 1 1 96 96 ILE HG21 H 1 0.806 0.025 . 1 . . . A 96 ILE HG21 . 11592 1
927 . 1 1 96 96 ILE HG22 H 1 0.806 0.025 . 1 . . . A 96 ILE HG22 . 11592 1
928 . 1 1 96 96 ILE HG23 H 1 0.806 0.025 . 1 . . . A 96 ILE HG23 . 11592 1
929 . 1 1 97 97 ASP C C 13 172.164 0.013 . 1 . . . A 97 ASP C . 11592 1
930 . 1 1 97 97 ASP CA C 13 53.438 0.044 . 1 . . . A 97 ASP CA . 11592 1
931 . 1 1 97 97 ASP CB C 13 42.177 0.107 . 1 . . . A 97 ASP CB . 11592 1
932 . 1 1 97 97 ASP H H 1 9.716 0.012 . 1 . . . A 97 ASP H . 11592 1
933 . 1 1 97 97 ASP HA H 1 5.059 0.029 . 1 . . . A 97 ASP HA . 11592 1
934 . 1 1 97 97 ASP HB2 H 1 2.949 0.028 . 2 . . . A 97 ASP HB2 . 11592 1
935 . 1 1 97 97 ASP N N 15 133.154 0.014 . 1 . . . A 97 ASP N . 11592 1
936 . 1 1 98 98 ASP C C 13 174.816 0.013 . 1 . . . A 98 ASP C . 11592 1
937 . 1 1 98 98 ASP CA C 13 53.389 0.116 . 1 . . . A 98 ASP CA . 11592 1
938 . 1 1 98 98 ASP CB C 13 41.502 0.222 . 1 . . . A 98 ASP CB . 11592 1
939 . 1 1 98 98 ASP H H 1 8.881 0.01 . 1 . . . A 98 ASP H . 11592 1
940 . 1 1 98 98 ASP HA H 1 5.049 0.033 . 1 . . . A 98 ASP HA . 11592 1
941 . 1 1 98 98 ASP HB2 H 1 2.948 0.018 . 2 . . . A 98 ASP HB2 . 11592 1
942 . 1 1 98 98 ASP HB3 H 1 2.132 0.01 . 2 . . . A 98 ASP HB3 . 11592 1
943 . 1 1 98 98 ASP N N 15 126.899 0.012 . 1 . . . A 98 ASP N . 11592 1
944 . 1 1 99 99 ILE C C 13 174.356 0.006 . 1 . . . A 99 ILE C . 11592 1
945 . 1 1 99 99 ILE CA C 13 60.174 0.128 . 1 . . . A 99 ILE CA . 11592 1
946 . 1 1 99 99 ILE CB C 13 40.489 0.143 . 1 . . . A 99 ILE CB . 11592 1
947 . 1 1 99 99 ILE CD1 C 13 13.949 0.032 . 1 . . . A 99 ILE CD1 . 11592 1
948 . 1 1 99 99 ILE CG1 C 13 26.299 0.286 . 1 . . . A 99 ILE CG1 . 11592 1
949 . 1 1 99 99 ILE CG2 C 13 17.829 0.077 . 1 . . . A 99 ILE CG2 . 11592 1
950 . 1 1 99 99 ILE H H 1 9.211 0.007 . 1 . . . A 99 ILE H . 11592 1
951 . 1 1 99 99 ILE HA H 1 4.09 0.025 . 1 . . . A 99 ILE HA . 11592 1
952 . 1 1 99 99 ILE HB H 1 1.873 0.022 . 1 . . . A 99 ILE HB . 11592 1
953 . 1 1 99 99 ILE HG12 H 1 0.731 0.022 . 1 . . . A 99 ILE HG12 . 11592 1
954 . 1 1 99 99 ILE HG13 H 1 1.066 0.003 . 1 . . . A 99 ILE HG13 . 11592 1
955 . 1 1 99 99 ILE N N 15 128.71 0.008 . 1 . . . A 99 ILE N . 11592 1
956 . 1 1 99 99 ILE HD11 H 1 0.735 0.029 . 1 . . . A 99 ILE HD11 . 11592 1
957 . 1 1 99 99 ILE HD12 H 1 0.735 0.029 . 1 . . . A 99 ILE HD12 . 11592 1
958 . 1 1 99 99 ILE HD13 H 1 0.735 0.029 . 1 . . . A 99 ILE HD13 . 11592 1
959 . 1 1 99 99 ILE HG21 H 1 0.283 0.031 . 1 . . . A 99 ILE HG21 . 11592 1
960 . 1 1 99 99 ILE HG22 H 1 0.283 0.031 . 1 . . . A 99 ILE HG22 . 11592 1
961 . 1 1 99 99 ILE HG23 H 1 0.283 0.031 . 1 . . . A 99 ILE HG23 . 11592 1
962 . 1 1 100 100 THR C C 13 173.272 0.003 . 1 . . . A 100 THR C . 11592 1
963 . 1 1 100 100 THR CA C 13 60.285 0.262 . 1 . . . A 100 THR CA . 11592 1
964 . 1 1 100 100 THR CB C 13 71.119 0.116 . 1 . . . A 100 THR CB . 11592 1
965 . 1 1 100 100 THR CG2 C 13 22.06 0.113 . 1 . . . A 100 THR CG2 . 11592 1
966 . 1 1 100 100 THR H H 1 8.033 0.006 . 1 . . . A 100 THR H . 11592 1
967 . 1 1 100 100 THR HA H 1 4.974 0.012 . 1 . . . A 100 THR HA . 11592 1
968 . 1 1 100 100 THR HB H 1 4.003 0.023 . 1 . . . A 100 THR HB . 11592 1
969 . 1 1 100 100 THR N N 15 118.635 0.034 . 1 . . . A 100 THR N . 11592 1
970 . 1 1 100 100 THR HG21 H 1 1.111 0.037 . 1 . . . A 100 THR HG21 . 11592 1
971 . 1 1 100 100 THR HG22 H 1 1.111 0.037 . 1 . . . A 100 THR HG22 . 11592 1
972 . 1 1 100 100 THR HG23 H 1 1.111 0.037 . 1 . . . A 100 THR HG23 . 11592 1
973 . 1 1 101 101 PHE C C 13 173.959 0.007 . 1 . . . A 101 PHE C . 11592 1
974 . 1 1 101 101 PHE CA C 13 54.783 0.192 . 1 . . . A 101 PHE CA . 11592 1
975 . 1 1 101 101 PHE CB C 13 40.1 0.135 . 1 . . . A 101 PHE CB . 11592 1
976 . 1 1 101 101 PHE CD2 C 13 133.11 0 . 1 . . . A 101 PHE CD2 . 11592 1
977 . 1 1 101 101 PHE CE2 C 13 129.517 0 . 1 . . . A 101 PHE CE2 . 11592 1
978 . 1 1 101 101 PHE H H 1 8.008 0.008 . 1 . . . A 101 PHE H . 11592 1
979 . 1 1 101 101 PHE HA H 1 4.89 0.023 . 1 . . . A 101 PHE HA . 11592 1
980 . 1 1 101 101 PHE HB2 H 1 3.323 0.008 . 2 . . . A 101 PHE HB2 . 11592 1
981 . 1 1 101 101 PHE HB3 H 1 3.117 0.009 . 2 . . . A 101 PHE HB3 . 11592 1
982 . 1 1 101 101 PHE HD2 H 1 7.064 0.023 . 1 . . . A 101 PHE HD2 . 11592 1
983 . 1 1 101 101 PHE HE2 H 1 6.911 0.013 . 1 . . . A 101 PHE HE2 . 11592 1
984 . 1 1 101 101 PHE N N 15 120.822 0.063 . 1 . . . A 101 PHE N . 11592 1
985 . 1 1 102 102 ALA C C 13 177.264 0.013 . 1 . . . A 102 ALA C . 11592 1
986 . 1 1 102 102 ALA CA C 13 52.774 0.062 . 1 . . . A 102 ALA CA . 11592 1
987 . 1 1 102 102 ALA CB C 13 18.231 0.053 . 1 . . . A 102 ALA CB . 11592 1
988 . 1 1 102 102 ALA H H 1 8.458 0.009 . 1 . . . A 102 ALA H . 11592 1
989 . 1 1 102 102 ALA HA H 1 4.109 0.009 . 1 . . . A 102 ALA HA . 11592 1
990 . 1 1 102 102 ALA N N 15 122.101 0.064 . 1 . . . A 102 ALA N . 11592 1
991 . 1 1 102 102 ALA HB1 H 1 1.423 0.026 . 1 . . . A 102 ALA HB1 . 11592 1
992 . 1 1 102 102 ALA HB2 H 1 1.423 0.026 . 1 . . . A 102 ALA HB2 . 11592 1
993 . 1 1 102 102 ALA HB3 H 1 1.423 0.026 . 1 . . . A 102 ALA HB3 . 11592 1
994 . 1 1 103 103 ALA C C 13 178.39 0.007 . 1 . . . A 103 ALA C . 11592 1
995 . 1 1 103 103 ALA CA C 13 52.851 0.218 . 1 . . . A 103 ALA CA . 11592 1
996 . 1 1 103 103 ALA CB C 13 18.224 0.128 . 1 . . . A 103 ALA CB . 11592 1
997 . 1 1 103 103 ALA H H 1 8.083 0.008 . 1 . . . A 103 ALA H . 11592 1
998 . 1 1 103 103 ALA HA H 1 4.461 0.031 . 1 . . . A 103 ALA HA . 11592 1
999 . 1 1 103 103 ALA N N 15 123.307 0.061 . 1 . . . A 103 ALA N . 11592 1
1000 . 1 1 103 103 ALA HB1 H 1 1.185 0.025 . 1 . . . A 103 ALA HB1 . 11592 1
1001 . 1 1 103 103 ALA HB2 H 1 1.185 0.025 . 1 . . . A 103 ALA HB2 . 11592 1
1002 . 1 1 103 103 ALA HB3 H 1 1.185 0.025 . 1 . . . A 103 ALA HB3 . 11592 1
1003 . 1 1 104 104 THR C C 13 171.789 0.001 . 1 . . . A 104 THR C . 11592 1
1004 . 1 1 104 104 THR CA C 13 60.412 0.122 . 1 . . . A 104 THR CA . 11592 1
1005 . 1 1 104 104 THR CB C 13 71.492 0.109 . 1 . . . A 104 THR CB . 11592 1
1006 . 1 1 104 104 THR CG2 C 13 20.028 0.1 . 1 . . . A 104 THR CG2 . 11592 1
1007 . 1 1 104 104 THR H H 1 9.075 0.007 . 1 . . . A 104 THR H . 11592 1
1008 . 1 1 104 104 THR HA H 1 4.584 0.028 . 1 . . . A 104 THR HA . 11592 1
1009 . 1 1 104 104 THR HB H 1 3.998 0.02 . 1 . . . A 104 THR HB . 11592 1
1010 . 1 1 104 104 THR N N 15 118.842 0.066 . 1 . . . A 104 THR N . 11592 1
1011 . 1 1 104 104 THR HG21 H 1 1.188 0.02 . 1 . . . A 104 THR HG21 . 11592 1
1012 . 1 1 104 104 THR HG22 H 1 1.188 0.02 . 1 . . . A 104 THR HG22 . 11592 1
1013 . 1 1 104 104 THR HG23 H 1 1.188 0.02 . 1 . . . A 104 THR HG23 . 11592 1
1014 . 1 1 105 105 ASN C C 13 175.208 0.019 . 1 . . . A 105 ASN C . 11592 1
1015 . 1 1 105 105 ASN CA C 13 52.634 0.086 . 1 . . . A 105 ASN CA . 11592 1
1016 . 1 1 105 105 ASN CB C 13 38.435 0.127 . 1 . . . A 105 ASN CB . 11592 1
1017 . 1 1 105 105 ASN H H 1 8.284 0.006 . 1 . . . A 105 ASN H . 11592 1
1018 . 1 1 105 105 ASN HA H 1 5.231 0.024 . 1 . . . A 105 ASN HA . 11592 1
1019 . 1 1 105 105 ASN HB2 H 1 2.643 0.014 . 2 . . . A 105 ASN HB2 . 11592 1
1020 . 1 1 105 105 ASN HB3 H 1 2.215 0.031 . 2 . . . A 105 ASN HB3 . 11592 1
1021 . 1 1 105 105 ASN HD21 H 1 7.421 0.001 . 1 . . . A 105 ASN HD21 . 11592 1
1022 . 1 1 105 105 ASN N N 15 124.547 0.038 . 1 . . . A 105 ASN N . 11592 1
1023 . 1 1 105 105 ASN ND2 N 15 112.257 0 . 1 . . . A 105 ASN ND2 . 11592 1
1024 . 1 1 106 106 ALA C C 13 174.402 0.019 . 1 . . . A 106 ALA C . 11592 1
1025 . 1 1 106 106 ALA CA C 13 52.688 0.092 . 1 . . . A 106 ALA CA . 11592 1
1026 . 1 1 106 106 ALA CB C 13 23.532 0.117 . 1 . . . A 106 ALA CB . 11592 1
1027 . 1 1 106 106 ALA H H 1 9.402 0.007 . 1 . . . A 106 ALA H . 11592 1
1028 . 1 1 106 106 ALA HA H 1 4.377 0.033 . 1 . . . A 106 ALA HA . 11592 1
1029 . 1 1 106 106 ALA N N 15 125.495 0.067 . 1 . . . A 106 ALA N . 11592 1
1030 . 1 1 106 106 ALA HB1 H 1 1.298 0.017 . 1 . . . A 106 ALA HB1 . 11592 1
1031 . 1 1 106 106 ALA HB2 H 1 1.298 0.017 . 1 . . . A 106 ALA HB2 . 11592 1
1032 . 1 1 106 106 ALA HB3 H 1 1.298 0.017 . 1 . . . A 106 ALA HB3 . 11592 1
1033 . 1 1 107 107 LYS C C 13 173.267 0.019 . 1 . . . A 107 LYS C . 11592 1
1034 . 1 1 107 107 LYS CA C 13 56.231 0.172 . 1 . . . A 107 LYS CA . 11592 1
1035 . 1 1 107 107 LYS CB C 13 35.56 0.169 . 1 . . . A 107 LYS CB . 11592 1
1036 . 1 1 107 107 LYS H H 1 8.091 0.016 . 1 . . . A 107 LYS H . 11592 1
1037 . 1 1 107 107 LYS HA H 1 4.585 0.04 . 1 . . . A 107 LYS HA . 11592 1
1038 . 1 1 107 107 LYS HB2 H 1 1.448 0.032 . 1 . . . A 107 LYS HB2 . 11592 1
1039 . 1 1 107 107 LYS N N 15 120.276 0.04 . 1 . . . A 107 LYS N . 11592 1
1040 . 1 1 108 108 PHE C C 13 176.042 0 . 1 . . . A 108 PHE C . 11592 1
1041 . 1 1 108 108 PHE CA C 13 54.192 0.104 . 1 . . . A 108 PHE CA . 11592 1
1042 . 1 1 108 108 PHE CB C 13 43.458 0.157 . 1 . . . A 108 PHE CB . 11592 1
1043 . 1 1 108 108 PHE CD2 C 13 132.95 0 . 1 . . . A 108 PHE CD2 . 11592 1
1044 . 1 1 108 108 PHE H H 1 8.255 0.01 . 1 . . . A 108 PHE H . 11592 1
1045 . 1 1 108 108 PHE HA H 1 6.022 0.023 . 1 . . . A 108 PHE HA . 11592 1
1046 . 1 1 108 108 PHE HB2 H 1 2.774 0.018 . 2 . . . A 108 PHE HB2 . 11592 1
1047 . 1 1 108 108 PHE HB3 H 1 2.525 0.019 . 2 . . . A 108 PHE HB3 . 11592 1
1048 . 1 1 108 108 PHE HD2 H 1 6.771 0.03 . 3 . . . A 108 PHE HD2 . 11592 1
1049 . 1 1 108 108 PHE N N 15 113.466 0.04 . 1 . . . A 108 PHE N . 11592 1
1050 . 1 1 109 109 VAL C C 13 173.285 0.013 . 1 . . . A 109 VAL C . 11592 1
1051 . 1 1 109 109 VAL CA C 13 60.121 0.127 . 1 . . . A 109 VAL CA . 11592 1
1052 . 1 1 109 109 VAL CB C 13 34.964 0.183 . 1 . . . A 109 VAL CB . 11592 1
1053 . 1 1 109 109 VAL CG1 C 13 21.31 0.026 . 1 . . . A 109 VAL CG1 . 11592 1
1054 . 1 1 109 109 VAL H H 1 8.502 0.008 . 1 . . . A 109 VAL H . 11592 1
1055 . 1 1 109 109 VAL HA H 1 5.402 0.019 . 1 . . . A 109 VAL HA . 11592 1
1056 . 1 1 109 109 VAL HB H 1 1.902 0.037 . 1 . . . A 109 VAL HB . 11592 1
1057 . 1 1 109 109 VAL N N 15 119.497 0.049 . 1 . . . A 109 VAL N . 11592 1
1058 . 1 1 110 110 ARG C C 13 174.955 0.005 . 1 . . . A 110 ARG C . 11592 1
1059 . 1 1 110 110 ARG CA C 13 54.284 0.147 . 1 . . . A 110 ARG CA . 11592 1
1060 . 1 1 110 110 ARG CB C 13 37.581 0.115 . 1 . . . A 110 ARG CB . 11592 1
1061 . 1 1 110 110 ARG H H 1 9.948 0.007 . 1 . . . A 110 ARG H . 11592 1
1062 . 1 1 110 110 ARG HA H 1 5.668 0.026 . 1 . . . A 110 ARG HA . 11592 1
1063 . 1 1 110 110 ARG HB2 H 1 1.036 0.029 . 2 . . . A 110 ARG HB2 . 11592 1
1064 . 1 1 110 110 ARG HB3 H 1 0.947 0.001 . 2 . . . A 110 ARG HB3 . 11592 1
1065 . 1 1 110 110 ARG N N 15 128.115 0.054 . 1 . . . A 110 ARG N . 11592 1
1066 . 1 1 111 111 VAL C C 13 173.294 0 . 1 . . . A 111 VAL C . 11592 1
1067 . 1 1 111 111 VAL CA C 13 61.692 0.125 . 1 . . . A 111 VAL CA . 11592 1
1068 . 1 1 111 111 VAL CB C 13 32.729 0.101 . 1 . . . A 111 VAL CB . 11592 1
1069 . 1 1 111 111 VAL CG1 C 13 21.923 0.14 . 2 . . . A 111 VAL CG1 . 11592 1
1070 . 1 1 111 111 VAL CG2 C 13 20.108 0.059 . 2 . . . A 111 VAL CG2 . 11592 1
1071 . 1 1 111 111 VAL H H 1 8.542 0.008 . 1 . . . A 111 VAL H . 11592 1
1072 . 1 1 111 111 VAL HA H 1 4.706 0.047 . 1 . . . A 111 VAL HA . 11592 1
1073 . 1 1 111 111 VAL HB H 1 1.615 0.023 . 1 . . . A 111 VAL HB . 11592 1
1074 . 1 1 111 111 VAL N N 15 124.103 0.107 . 1 . . . A 111 VAL N . 11592 1
1075 . 1 1 111 111 VAL HG11 H 1 0.156 0.022 . 2 . . . A 111 VAL HG11 . 11592 1
1076 . 1 1 111 111 VAL HG12 H 1 0.156 0.022 . 2 . . . A 111 VAL HG12 . 11592 1
1077 . 1 1 111 111 VAL HG13 H 1 0.156 0.022 . 2 . . . A 111 VAL HG13 . 11592 1
1078 . 1 1 111 111 VAL HG21 H 1 0.617 0.024 . 2 . . . A 111 VAL HG21 . 11592 1
1079 . 1 1 111 111 VAL HG22 H 1 0.617 0.024 . 2 . . . A 111 VAL HG22 . 11592 1
1080 . 1 1 111 111 VAL HG23 H 1 0.617 0.024 . 2 . . . A 111 VAL HG23 . 11592 1
1081 . 1 1 112 112 TYR C C 13 173.116 0 . 1 . . . A 112 TYR C . 11592 1
1082 . 1 1 112 112 TYR CA C 13 56.694 0.176 . 1 . . . A 112 TYR CA . 11592 1
1083 . 1 1 112 112 TYR CB C 13 40.572 0.11 . 1 . . . A 112 TYR CB . 11592 1
1084 . 1 1 112 112 TYR CD1 C 13 132.942 0 . 1 . . . A 112 TYR CD1 . 11592 1
1085 . 1 1 112 112 TYR CE1 C 13 118.793 0 . 1 . . . A 112 TYR CE1 . 11592 1
1086 . 1 1 112 112 TYR H H 1 9.039 0.009 . 1 . . . A 112 TYR H . 11592 1
1087 . 1 1 112 112 TYR HA H 1 4.835 0.241 . 1 . . . A 112 TYR HA . 11592 1
1088 . 1 1 112 112 TYR HB2 H 1 2.971 0.013 . 2 . . . A 112 TYR HB2 . 11592 1
1089 . 1 1 112 112 TYR HB3 H 1 2.103 0.007 . 2 . . . A 112 TYR HB3 . 11592 1
1090 . 1 1 112 112 TYR HD2 H 1 6.606 0.004 . 1 . . . A 112 TYR HD2 . 11592 1
1091 . 1 1 112 112 TYR N N 15 130.642 0.063 . 1 . . . A 112 TYR N . 11592 1
1092 . 1 1 112 112 TYR HE1 H 1 6.752 0.028 . 1 . . . A 112 TYR HE1 . 11592 1
1093 . 1 1 112 112 TYR HE2 H 1 6.752 0.028 . 1 . . . A 112 TYR HE2 . 11592 1
1094 . 1 1 113 113 ALA C C 13 174.93 0.025 . 1 . . . A 113 ALA C . 11592 1
1095 . 1 1 113 113 ALA CA C 13 51.414 0.195 . 1 . . . A 113 ALA CA . 11592 1
1096 . 1 1 113 113 ALA CB C 13 19.611 0.064 . 1 . . . A 113 ALA CB . 11592 1
1097 . 1 1 113 113 ALA H H 1 9.261 0.009 . 1 . . . A 113 ALA H . 11592 1
1098 . 1 1 113 113 ALA HA H 1 4.707 0.007 . 1 . . . A 113 ALA HA . 11592 1
1099 . 1 1 113 113 ALA N N 15 132.682 0.047 . 1 . . . A 113 ALA N . 11592 1
1100 . 1 1 113 113 ALA HB1 H 1 0.52 0.043 . 1 . . . A 113 ALA HB1 . 11592 1
1101 . 1 1 113 113 ALA HB2 H 1 0.52 0.043 . 1 . . . A 113 ALA HB2 . 11592 1
1102 . 1 1 113 113 ALA HB3 H 1 0.52 0.043 . 1 . . . A 113 ALA HB3 . 11592 1
1103 . 1 1 114 114 THR C C 13 176.616 0.019 . 1 . . . A 114 THR C . 11592 1
1104 . 1 1 114 114 THR CA C 13 61.717 0.269 . 1 . . . A 114 THR CA . 11592 1
1105 . 1 1 114 114 THR CB C 13 70.65 0.134 . 1 . . . A 114 THR CB . 11592 1
1106 . 1 1 114 114 THR CG2 C 13 22.161 0.062 . 1 . . . A 114 THR CG2 . 11592 1
1107 . 1 1 114 114 THR H H 1 8.029 0.009 . 1 . . . A 114 THR H . 11592 1
1108 . 1 1 114 114 THR HA H 1 4.545 0.032 . 1 . . . A 114 THR HA . 11592 1
1109 . 1 1 114 114 THR HB H 1 4.151 0.007 . 1 . . . A 114 THR HB . 11592 1
1110 . 1 1 114 114 THR N N 15 106.92 0.042 . 1 . . . A 114 THR N . 11592 1
1111 . 1 1 114 114 THR HG21 H 1 0.906 0.081 . 1 . . . A 114 THR HG21 . 11592 1
1112 . 1 1 114 114 THR HG22 H 1 0.906 0.081 . 1 . . . A 114 THR HG22 . 11592 1
1113 . 1 1 114 114 THR HG23 H 1 0.906 0.081 . 1 . . . A 114 THR HG23 . 11592 1
1114 . 1 1 115 115 THR C C 13 173.758 0.019 . 1 . . . A 115 THR C . 11592 1
1115 . 1 1 115 115 THR CA C 13 63.264 0.093 . 1 . . . A 115 THR CA . 11592 1
1116 . 1 1 115 115 THR CB C 13 70.756 0.062 . 1 . . . A 115 THR CB . 11592 1
1117 . 1 1 115 115 THR CG2 C 13 20.961 0 . 1 . . . A 115 THR CG2 . 11592 1
1118 . 1 1 115 115 THR H H 1 7.731 0.014 . 1 . . . A 115 THR H . 11592 1
1119 . 1 1 115 115 THR HA H 1 4.675 0.018 . 1 . . . A 115 THR HA . 11592 1
1120 . 1 1 115 115 THR HB H 1 3.891 0.019 . 1 . . . A 115 THR HB . 11592 1
1121 . 1 1 115 115 THR N N 15 117.642 0.061 . 1 . . . A 115 THR N . 11592 1
1122 . 1 1 116 116 ARG C C 13 176.826 0.013 . 1 . . . A 116 ARG C . 11592 1
1123 . 1 1 116 116 ARG CA C 13 55.396 0.11 . 1 . . . A 116 ARG CA . 11592 1
1124 . 1 1 116 116 ARG CB C 13 33.982 0.111 . 1 . . . A 116 ARG CB . 11592 1
1125 . 1 1 116 116 ARG H H 1 8.424 0.007 . 1 . . . A 116 ARG H . 11592 1
1126 . 1 1 116 116 ARG HA H 1 4.047 0.019 . 1 . . . A 116 ARG HA . 11592 1
1127 . 1 1 116 116 ARG HB2 H 1 1.985 0.014 . 2 . . . A 116 ARG HB2 . 11592 1
1128 . 1 1 116 116 ARG HB3 H 1 1.502 0.012 . 2 . . . A 116 ARG HB3 . 11592 1
1129 . 1 1 116 116 ARG N N 15 128.481 0.067 . 1 . . . A 116 ARG N . 11592 1
1130 . 1 1 117 117 ALA C C 13 177.41 0 . 1 . . . A 117 ALA C . 11592 1
1131 . 1 1 117 117 ALA CA C 13 52.825 0.091 . 1 . . . A 117 ALA CA . 11592 1
1132 . 1 1 117 117 ALA CB C 13 18.263 0.046 . 1 . . . A 117 ALA CB . 11592 1
1133 . 1 1 117 117 ALA H H 1 7.55 0.008 . 1 . . . A 117 ALA H . 11592 1
1134 . 1 1 117 117 ALA HA H 1 3.895 0.03 . 1 . . . A 117 ALA HA . 11592 1
1135 . 1 1 117 117 ALA N N 15 118.348 0.053 . 1 . . . A 117 ALA N . 11592 1
1136 . 1 1 117 117 ALA HB1 H 1 0.203 0.033 . 1 . . . A 117 ALA HB1 . 11592 1
1137 . 1 1 117 117 ALA HB2 H 1 0.203 0.033 . 1 . . . A 117 ALA HB2 . 11592 1
1138 . 1 1 117 117 ALA HB3 H 1 0.203 0.033 . 1 . . . A 117 ALA HB3 . 11592 1
1139 . 1 1 118 118 THR C C 13 173.389 0.019 . 1 . . . A 118 THR C . 11592 1
1140 . 1 1 118 118 THR CA C 13 59.888 0.138 . 1 . . . A 118 THR CA . 11592 1
1141 . 1 1 118 118 THR CB C 13 72.665 0.038 . 1 . . . A 118 THR CB . 11592 1
1142 . 1 1 118 118 THR H H 1 7.138 0.016 . 1 . . . A 118 THR H . 11592 1
1143 . 1 1 118 118 THR HA H 1 4.501 0.015 . 1 . . . A 118 THR HA . 11592 1
1144 . 1 1 118 118 THR HB H 1 4.059 0.016 . 1 . . . A 118 THR HB . 11592 1
1145 . 1 1 118 118 THR N N 15 106.406 0.026 . 1 . . . A 118 THR N . 11592 1
1146 . 1 1 119 119 ALA C C 13 176.348 0.013 . 1 . . . A 119 ALA C . 11592 1
1147 . 1 1 119 119 ALA CA C 13 50.975 0.188 . 1 . . . A 119 ALA CA . 11592 1
1148 . 1 1 119 119 ALA CB C 13 17.683 0.102 . 1 . . . A 119 ALA CB . 11592 1
1149 . 1 1 119 119 ALA H H 1 7.807 0.007 . 1 . . . A 119 ALA H . 11592 1
1150 . 1 1 119 119 ALA HA H 1 3.885 0.023 . 1 . . . A 119 ALA HA . 11592 1
1151 . 1 1 119 119 ALA N N 15 119.047 0.063 . 1 . . . A 119 ALA N . 11592 1
1152 . 1 1 119 119 ALA HB1 H 1 0.771 0.027 . 1 . . . A 119 ALA HB1 . 11592 1
1153 . 1 1 119 119 ALA HB2 H 1 0.771 0.027 . 1 . . . A 119 ALA HB2 . 11592 1
1154 . 1 1 119 119 ALA HB3 H 1 0.771 0.027 . 1 . . . A 119 ALA HB3 . 11592 1
1155 . 1 1 120 120 TYR C C 13 174.06 0 . 1 . . . A 120 TYR C . 11592 1
1156 . 1 1 120 120 TYR CA C 13 56.046 0.153 . 1 . . . A 120 TYR CA . 11592 1
1157 . 1 1 120 120 TYR CB C 13 36.148 0.125 . 1 . . . A 120 TYR CB . 11592 1
1158 . 1 1 120 120 TYR CD1 C 13 132.396 0 . 1 . . . A 120 TYR CD1 . 11592 1
1159 . 1 1 120 120 TYR H H 1 6.977 0.012 . 1 . . . A 120 TYR H . 11592 1
1160 . 1 1 120 120 TYR HA H 1 3.715 0.028 . 1 . . . A 120 TYR HA . 11592 1
1161 . 1 1 120 120 TYR HB2 H 1 2.145 0.021 . 2 . . . A 120 TYR HB2 . 11592 1
1162 . 1 1 120 120 TYR HD2 H 1 6.358 0.024 . 3 . . . A 120 TYR HD2 . 11592 1
1163 . 1 1 120 120 TYR N N 15 119.951 0.031 . 1 . . . A 120 TYR N . 11592 1
1164 . 1 1 121 121 GLY C C 13 168.67 0 . 1 . . . A 121 GLY C . 11592 1
1165 . 1 1 121 121 GLY CA C 13 44.692 0.172 . 1 . . . A 121 GLY CA . 11592 1
1166 . 1 1 121 121 GLY H H 1 8.112 0.016 . 1 . . . A 121 GLY H . 11592 1
1167 . 1 1 121 121 GLY HA3 H 1 2.854 0.018 . 1 . . . A 121 GLY HA3 . 11592 1
1168 . 1 1 121 121 GLY N N 15 117.299 0 . 1 . . . A 121 GLY N . 11592 1
1169 . 1 1 122 122 TYR C C 13 175.796 0.019 . 1 . . . A 122 TYR C . 11592 1
1170 . 1 1 122 122 TYR CA C 13 55.119 0.069 . 1 . . . A 122 TYR CA . 11592 1
1171 . 1 1 122 122 TYR CB C 13 41.764 0.054 . 1 . . . A 122 TYR CB . 11592 1
1172 . 1 1 122 122 TYR CE2 C 13 117.575 0 . 1 . . . A 122 TYR CE2 . 11592 1
1173 . 1 1 122 122 TYR H H 1 7.709 0.012 . 1 . . . A 122 TYR H . 11592 1
1174 . 1 1 122 122 TYR HA H 1 4.781 0.028 . 1 . . . A 122 TYR HA . 11592 1
1175 . 1 1 122 122 TYR HB2 H 1 2.777 0.039 . 2 . . . A 122 TYR HB2 . 11592 1
1176 . 1 1 122 122 TYR HB3 H 1 2.194 0.018 . 2 . . . A 122 TYR HB3 . 11592 1
1177 . 1 1 122 122 TYR HE2 H 1 6.609 0.038 . 1 . . . A 122 TYR HE2 . 11592 1
1178 . 1 1 122 122 TYR N N 15 120.698 0.032 . 1 . . . A 122 TYR N . 11592 1
1179 . 1 1 123 123 SER C C 13 172.46 0.019 . 1 . . . A 123 SER C . 11592 1
1180 . 1 1 123 123 SER CA C 13 56.477 0.476 . 1 . . . A 123 SER CA . 11592 1
1181 . 1 1 123 123 SER CB C 13 63.117 0.133 . 1 . . . A 123 SER CB . 11592 1
1182 . 1 1 123 123 SER H H 1 8.942 0.01 . 1 . . . A 123 SER H . 11592 1
1183 . 1 1 123 123 SER HA H 1 4.703 0.034 . 1 . . . A 123 SER HA . 11592 1
1184 . 1 1 123 123 SER HB2 H 1 3.742 0.024 . 2 . . . A 123 SER HB2 . 11592 1
1185 . 1 1 123 123 SER HB3 H 1 3.237 0.026 . 2 . . . A 123 SER HB3 . 11592 1
1186 . 1 1 123 123 SER N N 15 113.014 0.045 . 1 . . . A 123 SER N . 11592 1
1187 . 1 1 124 124 LEU C C 13 175.235 0.019 . 1 . . . A 124 LEU C . 11592 1
1188 . 1 1 124 124 LEU CA C 13 53.525 0.27 . 1 . . . A 124 LEU CA . 11592 1
1189 . 1 1 124 124 LEU CB C 13 47.362 0.082 . 1 . . . A 124 LEU CB . 11592 1
1190 . 1 1 124 124 LEU CD1 C 13 25.796 0.043 . 1 . . . A 124 LEU CD1 . 11592 1
1191 . 1 1 124 124 LEU CD2 C 13 25.505 0.091 . 1 . . . A 124 LEU CD2 . 11592 1
1192 . 1 1 124 124 LEU H H 1 7.646 0.009 . 1 . . . A 124 LEU H . 11592 1
1193 . 1 1 124 124 LEU HA H 1 4.706 0.019 . 1 . . . A 124 LEU HA . 11592 1
1194 . 1 1 124 124 LEU HB2 H 1 1.538 0.031 . 2 . . . A 124 LEU HB2 . 11592 1
1195 . 1 1 124 124 LEU HB3 H 1 1.152 0.03 . 2 . . . A 124 LEU HB3 . 11592 1
1196 . 1 1 124 124 LEU N N 15 126.178 0.055 . 1 . . . A 124 LEU N . 11592 1
1197 . 1 1 124 124 LEU HD11 H 1 0.408 0.02 . 2 . . . A 124 LEU HD11 . 11592 1
1198 . 1 1 124 124 LEU HD12 H 1 0.408 0.02 . 2 . . . A 124 LEU HD12 . 11592 1
1199 . 1 1 124 124 LEU HD13 H 1 0.408 0.02 . 2 . . . A 124 LEU HD13 . 11592 1
1200 . 1 1 124 124 LEU HD21 H 1 -0.451 0.035 . 2 . . . A 124 LEU HD21 . 11592 1
1201 . 1 1 124 124 LEU HD22 H 1 -0.451 0.035 . 2 . . . A 124 LEU HD22 . 11592 1
1202 . 1 1 124 124 LEU HD23 H 1 -0.451 0.035 . 2 . . . A 124 LEU HD23 . 11592 1
1203 . 1 1 125 125 TRP C C 13 178.663 0.007 . 1 . . . A 125 TRP C . 11592 1
1204 . 1 1 125 125 TRP CA C 13 57.617 0.281 . 1 . . . A 125 TRP CA . 11592 1
1205 . 1 1 125 125 TRP CB C 13 30.799 0.103 . 1 . . . A 125 TRP CB . 11592 1
1206 . 1 1 125 125 TRP CH2 C 13 123.656 0 . 1 . . . A 125 TRP CH2 . 11592 1
1207 . 1 1 125 125 TRP CZ2 C 13 114.683 0.022 . 1 . . . A 125 TRP CZ2 . 11592 1
1208 . 1 1 125 125 TRP H H 1 8.996 0.01 . 1 . . . A 125 TRP H . 11592 1
1209 . 1 1 125 125 TRP HA H 1 4.886 0.026 . 1 . . . A 125 TRP HA . 11592 1
1210 . 1 1 125 125 TRP HB2 H 1 3.323 0.038 . 2 . . . A 125 TRP HB2 . 11592 1
1211 . 1 1 125 125 TRP HB3 H 1 2.998 0.013 . 2 . . . A 125 TRP HB3 . 11592 1
1212 . 1 1 125 125 TRP HE1 H 1 10.039 0.005 . 1 . . . A 125 TRP HE1 . 11592 1
1213 . 1 1 125 125 TRP HH2 H 1 7.174 0.015 . 1 . . . A 125 TRP HH2 . 11592 1
1214 . 1 1 125 125 TRP HZ2 H 1 7.507 0.035 . 1 . . . A 125 TRP HZ2 . 11592 1
1215 . 1 1 125 125 TRP N N 15 123.551 0.068 . 1 . . . A 125 TRP N . 11592 1
1216 . 1 1 125 125 TRP NE1 N 15 129.924 0 . 1 . . . A 125 TRP NE1 . 11592 1
1217 . 1 1 126 126 GLU C C 13 173.367 0.013 . 1 . . . A 126 GLU C . 11592 1
1218 . 1 1 126 126 GLU CA C 13 55.059 0.113 . 1 . . . A 126 GLU CA . 11592 1
1219 . 1 1 126 126 GLU CB C 13 38.709 0.479 . 1 . . . A 126 GLU CB . 11592 1
1220 . 1 1 126 126 GLU H H 1 7.584 0.011 . 1 . . . A 126 GLU H . 11592 1
1221 . 1 1 126 126 GLU HA H 1 5.099 0.018 . 1 . . . A 126 GLU HA . 11592 1
1222 . 1 1 126 126 GLU HB2 H 1 2.316 0.049 . 1 . . . A 126 GLU HB2 . 11592 1
1223 . 1 1 126 126 GLU N N 15 114.999 0.057 . 1 . . . A 126 GLU N . 11592 1
1224 . 1 1 127 127 PHE C C 13 172.601 0.006 . 1 . . . A 127 PHE C . 11592 1
1225 . 1 1 127 127 PHE CA C 13 53.402 0.174 . 1 . . . A 127 PHE CA . 11592 1
1226 . 1 1 127 127 PHE CB C 13 40.079 0.088 . 1 . . . A 127 PHE CB . 11592 1
1227 . 1 1 127 127 PHE CD1 C 13 117.312 0 . 1 . . . A 127 PHE CD1 . 11592 1
1228 . 1 1 127 127 PHE CE2 C 13 121.768 0 . 3 . . . A 127 PHE CE2 . 11592 1
1229 . 1 1 127 127 PHE CE1 C 13 114.036 0 . 3 . . . A 127 PHE CE1 . 11592 1
1230 . 1 1 127 127 PHE CZ C 13 119.51 0.032 . 1 . . . A 127 PHE CZ . 11592 1
1231 . 1 1 127 127 PHE H H 1 8.863 0.008 . 1 . . . A 127 PHE H . 11592 1
1232 . 1 1 127 127 PHE HA H 1 4.861 0.046 . 1 . . . A 127 PHE HA . 11592 1
1233 . 1 1 127 127 PHE HB2 H 1 3.296 0.042 . 2 . . . A 127 PHE HB2 . 11592 1
1234 . 1 1 127 127 PHE HB3 H 1 2.71 0 . 2 . . . A 127 PHE HB3 . 11592 1
1235 . 1 1 127 127 PHE HD2 H 1 6.522 0.029 . 3 . . . A 127 PHE HD2 . 11592 1
1236 . 1 1 127 127 PHE HE1 H 1 5.941 0.038 . 3 . . . A 127 PHE HE1 . 11592 1
1237 . 1 1 127 127 PHE HE2 H 1 6.266 0.036 . 3 . . . A 127 PHE HE2 . 11592 1
1238 . 1 1 127 127 PHE HZ H 1 6.825 0.024 . 1 . . . A 127 PHE HZ . 11592 1
1239 . 1 1 127 127 PHE N N 15 125.917 0.071 . 1 . . . A 127 PHE N . 11592 1
1240 . 1 1 128 128 GLU C C 13 175.751 0.026 . 1 . . . A 128 GLU C . 11592 1
1241 . 1 1 128 128 GLU CA C 13 53.596 0.304 . 1 . . . A 128 GLU CA . 11592 1
1242 . 1 1 128 128 GLU CB C 13 33.014 0.151 . 1 . . . A 128 GLU CB . 11592 1
1243 . 1 1 128 128 GLU H H 1 9.295 0.008 . 1 . . . A 128 GLU H . 11592 1
1244 . 1 1 128 128 GLU HA H 1 4.695 0.01 . 1 . . . A 128 GLU HA . 11592 1
1245 . 1 1 128 128 GLU HB2 H 1 2.195 0.009 . 2 . . . A 128 GLU HB2 . 11592 1
1246 . 1 1 128 128 GLU HB3 H 1 1.758 0.021 . 2 . . . A 128 GLU HB3 . 11592 1
1247 . 1 1 128 128 GLU N N 15 123.371 0.021 . 1 . . . A 128 GLU N . 11592 1
1248 . 1 1 129 129 VAL C C 13 171.922 0.007 . 1 . . . A 129 VAL C . 11592 1
1249 . 1 1 129 129 VAL CA C 13 61.094 0.112 . 1 . . . A 129 VAL CA . 11592 1
1250 . 1 1 129 129 VAL CB C 13 35.976 0.114 . 1 . . . A 129 VAL CB . 11592 1
1251 . 1 1 129 129 VAL CG2 C 13 23.28 0.178 . 1 . . . A 129 VAL CG2 . 11592 1
1252 . 1 1 129 129 VAL H H 1 7.149 0.008 . 1 . . . A 129 VAL H . 11592 1
1253 . 1 1 129 129 VAL HA H 1 4.781 0.027 . 1 . . . A 129 VAL HA . 11592 1
1254 . 1 1 129 129 VAL HB H 1 1.427 0.018 . 1 . . . A 129 VAL HB . 11592 1
1255 . 1 1 129 129 VAL N N 15 119.618 0.013 . 1 . . . A 129 VAL N . 11592 1
1256 . 1 1 129 129 VAL HG11 H 1 1.068 0.018 . 2 . . . A 129 VAL HG11 . 11592 1
1257 . 1 1 129 129 VAL HG12 H 1 1.068 0.018 . 2 . . . A 129 VAL HG12 . 11592 1
1258 . 1 1 129 129 VAL HG13 H 1 1.068 0.018 . 2 . . . A 129 VAL HG13 . 11592 1
1259 . 1 1 129 129 VAL HG21 H 1 0.711 0.018 . 2 . . . A 129 VAL HG21 . 11592 1
1260 . 1 1 129 129 VAL HG22 H 1 0.711 0.018 . 2 . . . A 129 VAL HG22 . 11592 1
1261 . 1 1 129 129 VAL HG23 H 1 0.711 0.018 . 2 . . . A 129 VAL HG23 . 11592 1
1262 . 1 1 130 130 TYR C C 13 174.825 0 . 1 . . . A 130 TYR C . 11592 1
1263 . 1 1 130 130 TYR CA C 13 56.165 0.206 . 1 . . . A 130 TYR CA . 11592 1
1264 . 1 1 130 130 TYR CB C 13 43.041 0.113 . 1 . . . A 130 TYR CB . 11592 1
1265 . 1 1 130 130 TYR CD1 C 13 128.921 0 . 1 . . . A 130 TYR CD1 . 11592 1
1266 . 1 1 130 130 TYR H H 1 9.239 0.008 . 1 . . . A 130 TYR H . 11592 1
1267 . 1 1 130 130 TYR HA H 1 4.996 0.018 . 1 . . . A 130 TYR HA . 11592 1
1268 . 1 1 130 130 TYR HB2 H 1 3.232 0.017 . 2 . . . A 130 TYR HB2 . 11592 1
1269 . 1 1 130 130 TYR HB3 H 1 2.595 0.016 . 2 . . . A 130 TYR HB3 . 11592 1
1270 . 1 1 130 130 TYR HD2 H 1 6.635 0.028 . 1 . . . A 130 TYR HD2 . 11592 1
1271 . 1 1 130 130 TYR N N 15 122.722 0.007 . 1 . . . A 130 TYR N . 11592 1
1272 . 1 1 131 131 GLY C C 13 179.502 0 . 1 . . . A 131 GLY C . 11592 1
1273 . 1 1 131 131 GLY CA C 13 46.431 0.174 . 1 . . . A 131 GLY CA . 11592 1
1274 . 1 1 131 131 GLY H H 1 9.127 0.008 . 1 . . . A 131 GLY H . 11592 1
1275 . 1 1 131 131 GLY HA2 H 1 3.726 0.023 . 2 . . . A 131 GLY HA2 . 11592 1
1276 . 1 1 131 131 GLY HA3 H 1 4.452 0.029 . 2 . . . A 131 GLY HA3 . 11592 1
1277 . 1 1 131 131 GLY N N 15 114.87 0.044 . 1 . . . A 131 GLY N . 11592 1
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