Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 30075
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_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' . . . 30075 1
2 '3D HNCO' . . . 30075 1
3 '3D HNCA' . . . 30075 1
4 '3D HNCACB' . . . 30075 1
5 '3D HN(CO)CA' . . . 30075 1
7 '3D CBCA(CO)NH' . . . 30075 1
10 '2D 1H-13C HSQC aliphatic' . . . 30075 1
11 '2D 1H-13C HSQC aromatic' . . . 30075 1
12 '3D HCCH-TOCSY' . . . 30075 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
4 $software_4 . . 30075 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 GLY H H 1 8.421 0.04 . 1 . . . . 86 GLY H . 30075 1
2 . 1 1 1 1 GLY HA2 H 1 4.022 0.04 . 2 . . . . 86 GLY HA2 . 30075 1
3 . 1 1 1 1 GLY HA3 H 1 4.022 0.04 . 2 . . . . 86 GLY HA3 . 30075 1
4 . 1 1 1 1 GLY C C 13 174.435 0.40 . 1 . . . . 86 GLY C . 30075 1
5 . 1 1 1 1 GLY CA C 13 45.352 0.40 . 1 . . . . 86 GLY CA . 30075 1
6 . 1 1 1 1 GLY N N 15 109.994 0.40 . 1 . . . . 86 GLY N . 30075 1
7 . 1 1 2 2 THR H H 1 8.152 0.04 . 1 . . . . 87 THR H . 30075 1
8 . 1 1 2 2 THR HA H 1 4.367 0.04 . 1 . . . . 87 THR HA . 30075 1
9 . 1 1 2 2 THR HB H 1 4.271 0.04 . 1 . . . . 87 THR HB . 30075 1
10 . 1 1 2 2 THR HG21 H 1 1.194 0.04 . 1 . . . . 87 THR HG21 . 30075 1
11 . 1 1 2 2 THR HG22 H 1 1.194 0.04 . 1 . . . . 87 THR HG22 . 30075 1
12 . 1 1 2 2 THR HG23 H 1 1.194 0.04 . 1 . . . . 87 THR HG23 . 30075 1
13 . 1 1 2 2 THR C C 13 174.957 0.40 . 1 . . . . 87 THR C . 30075 1
14 . 1 1 2 2 THR CA C 13 61.888 0.40 . 1 . . . . 87 THR CA . 30075 1
15 . 1 1 2 2 THR CB C 13 69.839 0.40 . 1 . . . . 87 THR CB . 30075 1
16 . 1 1 2 2 THR CG2 C 13 21.648 0.40 . 1 . . . . 87 THR CG2 . 30075 1
17 . 1 1 2 2 THR N N 15 113.323 0.40 . 1 . . . . 87 THR N . 30075 1
18 . 1 1 3 3 GLN H H 1 8.563 0.04 . 1 . . . . 88 GLN H . 30075 1
19 . 1 1 3 3 GLN HA H 1 4.342 0.04 . 1 . . . . 88 GLN HA . 30075 1
20 . 1 1 3 3 GLN HB2 H 1 2.016 0.04 . 2 . . . . 88 GLN HB2 . 30075 1
21 . 1 1 3 3 GLN HB3 H 1 2.153 0.04 . 2 . . . . 88 GLN HB3 . 30075 1
22 . 1 1 3 3 GLN HG2 H 1 2.386 0.04 . 2 . . . . 88 GLN HG2 . 30075 1
23 . 1 1 3 3 GLN HG3 H 1 2.386 0.04 . 2 . . . . 88 GLN HG3 . 30075 1
24 . 1 1 3 3 GLN C C 13 176.427 0.40 . 1 . . . . 88 GLN C . 30075 1
25 . 1 1 3 3 GLN CA C 13 56.325 0.40 . 1 . . . . 88 GLN CA . 30075 1
26 . 1 1 3 3 GLN CB C 13 29.215 0.40 . 1 . . . . 88 GLN CB . 30075 1
27 . 1 1 3 3 GLN CG C 13 33.886 0.40 . 1 . . . . 88 GLN CG . 30075 1
28 . 1 1 3 3 GLN N N 15 122.337 0.40 . 1 . . . . 88 GLN N . 30075 1
29 . 1 1 4 4 GLY H H 1 8.398 0.04 . 1 . . . . 89 GLY H . 30075 1
30 . 1 1 4 4 GLY HA2 H 1 3.909 0.04 . 2 . . . . 89 GLY HA2 . 30075 1
31 . 1 1 4 4 GLY HA3 H 1 4.018 0.04 . 2 . . . . 89 GLY HA3 . 30075 1
32 . 1 1 4 4 GLY C C 13 173.841 0.40 . 1 . . . . 89 GLY C . 30075 1
33 . 1 1 4 4 GLY CA C 13 45.076 0.40 . 1 . . . . 89 GLY CA . 30075 1
34 . 1 1 4 4 GLY N N 15 109.658 0.40 . 1 . . . . 89 GLY N . 30075 1
35 . 1 1 5 5 GLU H H 1 8.302 0.04 . 1 . . . . 90 GLU H . 30075 1
36 . 1 1 5 5 GLU HA H 1 4.318 0.04 . 1 . . . . 90 GLU HA . 30075 1
37 . 1 1 5 5 GLU HB2 H 1 1.990 0.04 . 2 . . . . 90 GLU HB2 . 30075 1
38 . 1 1 5 5 GLU HB3 H 1 2.034 0.04 . 2 . . . . 90 GLU HB3 . 30075 1
39 . 1 1 5 5 GLU HG2 H 1 2.248 0.04 . 2 . . . . 90 GLU HG2 . 30075 1
40 . 1 1 5 5 GLU HG3 H 1 2.317 0.04 . 2 . . . . 90 GLU HG3 . 30075 1
41 . 1 1 5 5 GLU C C 13 176.238 0.40 . 1 . . . . 90 GLU C . 30075 1
42 . 1 1 5 5 GLU CA C 13 56.718 0.40 . 1 . . . . 90 GLU CA . 30075 1
43 . 1 1 5 5 GLU CB C 13 30.970 0.40 . 1 . . . . 90 GLU CB . 30075 1
44 . 1 1 5 5 GLU CG C 13 36.444 0.40 . 1 . . . . 90 GLU CG . 30075 1
45 . 1 1 5 5 GLU N N 15 120.120 0.40 . 1 . . . . 90 GLU N . 30075 1
46 . 1 1 6 6 ARG H H 1 8.462 0.04 . 1 . . . . 91 ARG H . 30075 1
47 . 1 1 6 6 ARG HA H 1 4.576 0.04 . 1 . . . . 91 ARG HA . 30075 1
48 . 1 1 6 6 ARG HB2 H 1 1.390 0.04 . 2 . . . . 91 ARG HB2 . 30075 1
49 . 1 1 6 6 ARG HB3 H 1 1.569 0.04 . 2 . . . . 91 ARG HB3 . 30075 1
50 . 1 1 6 6 ARG HG2 H 1 1.563 0.04 . 2 . . . . 91 ARG HG2 . 30075 1
51 . 1 1 6 6 ARG HG3 H 1 1.563 0.04 . 2 . . . . 91 ARG HG3 . 30075 1
52 . 1 1 6 6 ARG HD2 H 1 3.036 0.04 . 2 . . . . 91 ARG HD2 . 30075 1
53 . 1 1 6 6 ARG HD3 H 1 3.072 0.04 . 2 . . . . 91 ARG HD3 . 30075 1
54 . 1 1 6 6 ARG C C 13 175.150 0.40 . 1 . . . . 91 ARG C . 30075 1
55 . 1 1 6 6 ARG CA C 13 54.231 0.40 . 1 . . . . 91 ARG CA . 30075 1
56 . 1 1 6 6 ARG CB C 13 32.864 0.40 . 1 . . . . 91 ARG CB . 30075 1
57 . 1 1 6 6 ARG CG C 13 27.721 0.40 . 1 . . . . 91 ARG CG . 30075 1
58 . 1 1 6 6 ARG CD C 13 42.871 0.40 . 1 . . . . 91 ARG CD . 30075 1
59 . 1 1 6 6 ARG N N 15 120.260 0.40 . 1 . . . . 91 ARG N . 30075 1
60 . 1 1 7 7 CYS H H 1 9.014 0.04 . 1 . . . . 92 CYS H . 30075 1
61 . 1 1 7 7 CYS HA H 1 4.202 0.04 . 1 . . . . 92 CYS HA . 30075 1
62 . 1 1 7 7 CYS HB2 H 1 3.029 0.04 . 2 . . . . 92 CYS HB2 . 30075 1
63 . 1 1 7 7 CYS HB3 H 1 3.060 0.04 . 2 . . . . 92 CYS HB3 . 30075 1
64 . 1 1 7 7 CYS C C 13 177.325 0.40 . 1 . . . . 92 CYS C . 30075 1
65 . 1 1 7 7 CYS CA C 13 59.498 0.40 . 1 . . . . 92 CYS CA . 30075 1
66 . 1 1 7 7 CYS CB C 13 29.721 0.40 . 1 . . . . 92 CYS CB . 30075 1
67 . 1 1 7 7 CYS N N 15 123.453 0.40 . 1 . . . . 92 CYS N . 30075 1
68 . 1 1 8 8 ALA H H 1 9.441 0.04 . 1 . . . . 93 ALA H . 30075 1
69 . 1 1 8 8 ALA HA H 1 4.121 0.04 . 1 . . . . 93 ALA HA . 30075 1
70 . 1 1 8 8 ALA HB1 H 1 1.482 0.04 . 1 . . . . 93 ALA HB1 . 30075 1
71 . 1 1 8 8 ALA HB2 H 1 1.482 0.04 . 1 . . . . 93 ALA HB2 . 30075 1
72 . 1 1 8 8 ALA HB3 H 1 1.482 0.04 . 1 . . . . 93 ALA HB3 . 30075 1
73 . 1 1 8 8 ALA C C 13 177.984 0.40 . 1 . . . . 93 ALA C . 30075 1
74 . 1 1 8 8 ALA CA C 13 54.681 0.40 . 1 . . . . 93 ALA CA . 30075 1
75 . 1 1 8 8 ALA CB C 13 18.906 0.40 . 1 . . . . 93 ALA CB . 30075 1
76 . 1 1 8 8 ALA N N 15 135.100 0.40 . 1 . . . . 93 ALA N . 30075 1
77 . 1 1 9 9 VAL H H 1 8.168 0.04 . 1 . . . . 94 VAL H . 30075 1
78 . 1 1 9 9 VAL HA H 1 3.745 0.04 . 1 . . . . 94 VAL HA . 30075 1
79 . 1 1 9 9 VAL HB H 1 1.128 0.04 . 1 . . . . 94 VAL HB . 30075 1
80 . 1 1 9 9 VAL HG11 H 1 0.720 0.04 . 2 . . . . 94 VAL HG11 . 30075 1
81 . 1 1 9 9 VAL HG12 H 1 0.720 0.04 . 2 . . . . 94 VAL HG12 . 30075 1
82 . 1 1 9 9 VAL HG13 H 1 0.720 0.04 . 2 . . . . 94 VAL HG13 . 30075 1
83 . 1 1 9 9 VAL HG21 H 1 0.307 0.04 . 2 . . . . 94 VAL HG21 . 30075 1
84 . 1 1 9 9 VAL HG22 H 1 0.307 0.04 . 2 . . . . 94 VAL HG22 . 30075 1
85 . 1 1 9 9 VAL HG23 H 1 0.307 0.04 . 2 . . . . 94 VAL HG23 . 30075 1
86 . 1 1 9 9 VAL C C 13 177.912 0.40 . 1 . . . . 94 VAL C . 30075 1
87 . 1 1 9 9 VAL CA C 13 64.441 0.40 . 1 . . . . 94 VAL CA . 30075 1
88 . 1 1 9 9 VAL CB C 13 33.206 0.40 . 1 . . . . 94 VAL CB . 30075 1
89 . 1 1 9 9 VAL CG1 C 13 20.972 0.40 . 2 . . . . 94 VAL CG1 . 30075 1
90 . 1 1 9 9 VAL CG2 C 13 20.188 0.40 . 2 . . . . 94 VAL CG2 . 30075 1
91 . 1 1 9 9 VAL N N 15 118.031 0.40 . 1 . . . . 94 VAL N . 30075 1
92 . 1 1 10 10 HIS H H 1 8.652 0.04 . 1 . . . . 95 HIS H . 30075 1
93 . 1 1 10 10 HIS HA H 1 4.719 0.04 . 1 . . . . 95 HIS HA . 30075 1
94 . 1 1 10 10 HIS HB2 H 1 3.278 0.04 . 2 . . . . 95 HIS HB2 . 30075 1
95 . 1 1 10 10 HIS HB3 H 1 3.414 0.04 . 2 . . . . 95 HIS HB3 . 30075 1
96 . 1 1 10 10 HIS HE1 H 1 8.025 0.04 . 1 . . . . 95 HIS HE1 . 30075 1
97 . 1 1 10 10 HIS C C 13 176.767 0.40 . 1 . . . . 95 HIS C . 30075 1
98 . 1 1 10 10 HIS CA C 13 58.068 0.40 . 1 . . . . 95 HIS CA . 30075 1
99 . 1 1 10 10 HIS CB C 13 33.081 0.40 . 1 . . . . 95 HIS CB . 30075 1
100 . 1 1 10 10 HIS CE1 C 13 135.517 0.40 . 1 . . . . 95 HIS CE1 . 30075 1
101 . 1 1 10 10 HIS N N 15 116.916 0.40 . 1 . . . . 95 HIS N . 30075 1
102 . 1 1 11 11 GLY H H 1 8.389 0.04 . 1 . . . . 96 GLY H . 30075 1
103 . 1 1 11 11 GLY HA2 H 1 3.846 0.04 . 2 . . . . 96 GLY HA2 . 30075 1
104 . 1 1 11 11 GLY HA3 H 1 4.211 0.04 . 2 . . . . 96 GLY HA3 . 30075 1
105 . 1 1 11 11 GLY C C 13 173.304 0.40 . 1 . . . . 96 GLY C . 30075 1
106 . 1 1 11 11 GLY CA C 13 46.032 0.40 . 1 . . . . 96 GLY CA . 30075 1
107 . 1 1 11 11 GLY N N 15 107.364 0.40 . 1 . . . . 96 GLY N . 30075 1
108 . 1 1 12 12 GLU H H 1 6.117 0.04 . 1 . . . . 97 GLU H . 30075 1
109 . 1 1 12 12 GLU HA H 1 4.683 0.04 . 1 . . . . 97 GLU HA . 30075 1
110 . 1 1 12 12 GLU HB2 H 1 2.355 0.04 . 2 . . . . 97 GLU HB2 . 30075 1
111 . 1 1 12 12 GLU HB3 H 1 2.589 0.04 . 2 . . . . 97 GLU HB3 . 30075 1
112 . 1 1 12 12 GLU HG2 H 1 2.172 0.04 . 2 . . . . 97 GLU HG2 . 30075 1
113 . 1 1 12 12 GLU HG3 H 1 2.198 0.04 . 2 . . . . 97 GLU HG3 . 30075 1
114 . 1 1 12 12 GLU C C 13 175.594 0.40 . 1 . . . . 97 GLU C . 30075 1
115 . 1 1 12 12 GLU CA C 13 54.279 0.40 . 1 . . . . 97 GLU CA . 30075 1
116 . 1 1 12 12 GLU CB C 13 31.857 0.40 . 1 . . . . 97 GLU CB . 30075 1
117 . 1 1 12 12 GLU CG C 13 35.406 0.40 . 1 . . . . 97 GLU CG . 30075 1
118 . 1 1 12 12 GLU N N 15 116.776 0.40 . 1 . . . . 97 GLU N . 30075 1
119 . 1 1 13 13 ARG H H 1 9.294 0.04 . 1 . . . . 98 ARG H . 30075 1
120 . 1 1 13 13 ARG HA H 1 4.165 0.04 . 1 . . . . 98 ARG HA . 30075 1
121 . 1 1 13 13 ARG HB2 H 1 1.740 0.04 . 2 . . . . 98 ARG HB2 . 30075 1
122 . 1 1 13 13 ARG HB3 H 1 1.774 0.04 . 2 . . . . 98 ARG HB3 . 30075 1
123 . 1 1 13 13 ARG HG2 H 1 1.705 0.04 . 2 . . . . 98 ARG HG2 . 30075 1
124 . 1 1 13 13 ARG HG3 H 1 1.705 0.04 . 2 . . . . 98 ARG HG3 . 30075 1
125 . 1 1 13 13 ARG HD2 H 1 3.193 0.04 . 2 . . . . 98 ARG HD2 . 30075 1
126 . 1 1 13 13 ARG HD3 H 1 3.193 0.04 . 2 . . . . 98 ARG HD3 . 30075 1
127 . 1 1 13 13 ARG C C 13 176.181 0.40 . 1 . . . . 98 ARG C . 30075 1
128 . 1 1 13 13 ARG CA C 13 57.287 0.40 . 1 . . . . 98 ARG CA . 30075 1
129 . 1 1 13 13 ARG CB C 13 30.670 0.40 . 1 . . . . 98 ARG CB . 30075 1
130 . 1 1 13 13 ARG CG C 13 27.741 0.40 . 1 . . . . 98 ARG CG . 30075 1
131 . 1 1 13 13 ARG CD C 13 43.222 0.40 . 1 . . . . 98 ARG CD . 30075 1
132 . 1 1 13 13 ARG N N 15 121.435 0.40 . 1 . . . . 98 ARG N . 30075 1
133 . 1 1 14 14 LEU H H 1 8.323 0.04 . 1 . . . . 99 LEU H . 30075 1
134 . 1 1 14 14 LEU HA H 1 4.139 0.04 . 1 . . . . 99 LEU HA . 30075 1
135 . 1 1 14 14 LEU HB2 H 1 1.068 0.04 . 2 . . . . 99 LEU HB2 . 30075 1
136 . 1 1 14 14 LEU HB3 H 1 1.725 0.04 . 2 . . . . 99 LEU HB3 . 30075 1
137 . 1 1 14 14 LEU HG H 1 1.411 0.04 . 1 . . . . 99 LEU HG . 30075 1
138 . 1 1 14 14 LEU HD11 H 1 0.752 0.04 . 2 . . . . 99 LEU HD11 . 30075 1
139 . 1 1 14 14 LEU HD12 H 1 0.752 0.04 . 2 . . . . 99 LEU HD12 . 30075 1
140 . 1 1 14 14 LEU HD13 H 1 0.752 0.04 . 2 . . . . 99 LEU HD13 . 30075 1
141 . 1 1 14 14 LEU HD21 H 1 0.682 0.04 . 2 . . . . 99 LEU HD21 . 30075 1
142 . 1 1 14 14 LEU HD22 H 1 0.682 0.04 . 2 . . . . 99 LEU HD22 . 30075 1
143 . 1 1 14 14 LEU HD23 H 1 0.682 0.04 . 2 . . . . 99 LEU HD23 . 30075 1
144 . 1 1 14 14 LEU C C 13 176.316 0.40 . 1 . . . . 99 LEU C . 30075 1
145 . 1 1 14 14 LEU CA C 13 54.903 0.40 . 1 . . . . 99 LEU CA . 30075 1
146 . 1 1 14 14 LEU CB C 13 41.630 0.40 . 1 . . . . 99 LEU CB . 30075 1
147 . 1 1 14 14 LEU CG C 13 26.491 0.40 . 1 . . . . 99 LEU CG . 30075 1
148 . 1 1 14 14 LEU CD1 C 13 25.621 0.40 . 2 . . . . 99 LEU CD1 . 30075 1
149 . 1 1 14 14 LEU CD2 C 13 22.965 0.40 . 2 . . . . 99 LEU CD2 . 30075 1
150 . 1 1 14 14 LEU N N 15 123.080 0.40 . 1 . . . . 99 LEU N . 30075 1
151 . 1 1 15 15 HIS H H 1 8.320 0.04 . 1 . . . . 100 HIS H . 30075 1
152 . 1 1 15 15 HIS HA H 1 5.748 0.04 . 1 . . . . 100 HIS HA . 30075 1
153 . 1 1 15 15 HIS HB2 H 1 2.792 0.04 . 2 . . . . 100 HIS HB2 . 30075 1
154 . 1 1 15 15 HIS HB3 H 1 3.448 0.04 . 2 . . . . 100 HIS HB3 . 30075 1
155 . 1 1 15 15 HIS HE1 H 1 8.059 0.04 . 1 . . . . 100 HIS HE1 . 30075 1
156 . 1 1 15 15 HIS C C 13 174.055 0.40 . 1 . . . . 100 HIS C . 30075 1
157 . 1 1 15 15 HIS CA C 13 56.686 0.40 . 1 . . . . 100 HIS CA . 30075 1
158 . 1 1 15 15 HIS CB C 13 34.261 0.40 . 1 . . . . 100 HIS CB . 30075 1
159 . 1 1 15 15 HIS CE1 C 13 139.133 0.40 . 1 . . . . 100 HIS CE1 . 30075 1
160 . 1 1 15 15 HIS N N 15 120.448 0.40 . 1 . . . . 100 HIS N . 30075 1
161 . 1 1 16 16 LEU H H 1 8.178 0.04 . 1 . . . . 101 LEU H . 30075 1
162 . 1 1 16 16 LEU HA H 1 5.009 0.04 . 1 . . . . 101 LEU HA . 30075 1
163 . 1 1 16 16 LEU HB2 H 1 1.121 0.04 . 2 . . . . 101 LEU HB2 . 30075 1
164 . 1 1 16 16 LEU HB3 H 1 1.264 0.04 . 2 . . . . 101 LEU HB3 . 30075 1
165 . 1 1 16 16 LEU HD11 H 1 0.590 0.04 . 2 . . . . 101 LEU HD11 . 30075 1
166 . 1 1 16 16 LEU HD12 H 1 0.590 0.04 . 2 . . . . 101 LEU HD12 . 30075 1
167 . 1 1 16 16 LEU HD13 H 1 0.590 0.04 . 2 . . . . 101 LEU HD13 . 30075 1
168 . 1 1 16 16 LEU HD21 H 1 0.592 0.04 . 2 . . . . 101 LEU HD21 . 30075 1
169 . 1 1 16 16 LEU HD22 H 1 0.592 0.04 . 2 . . . . 101 LEU HD22 . 30075 1
170 . 1 1 16 16 LEU HD23 H 1 0.592 0.04 . 2 . . . . 101 LEU HD23 . 30075 1
171 . 1 1 16 16 LEU C C 13 174.227 0.40 . 1 . . . . 101 LEU C . 30075 1
172 . 1 1 16 16 LEU CA C 13 53.271 0.40 . 1 . . . . 101 LEU CA . 30075 1
173 . 1 1 16 16 LEU CB C 13 47.841 0.40 . 1 . . . . 101 LEU CB . 30075 1
174 . 1 1 16 16 LEU CD1 C 13 23.030 0.40 . 2 . . . . 101 LEU CD1 . 30075 1
175 . 1 1 16 16 LEU CD2 C 13 26.437 0.40 . 2 . . . . 101 LEU CD2 . 30075 1
176 . 1 1 16 16 LEU N N 15 122.877 0.40 . 1 . . . . 101 LEU N . 30075 1
177 . 1 1 17 17 PHE H H 1 9.607 0.04 . 1 . . . . 102 PHE H . 30075 1
178 . 1 1 17 17 PHE HA H 1 4.815 0.04 . 1 . . . . 102 PHE HA . 30075 1
179 . 1 1 17 17 PHE HB2 H 1 2.646 0.04 . 2 . . . . 102 PHE HB2 . 30075 1
180 . 1 1 17 17 PHE HB3 H 1 2.912 0.04 . 2 . . . . 102 PHE HB3 . 30075 1
181 . 1 1 17 17 PHE HD1 H 1 6.810 0.04 . 3 . . . . 102 PHE HD1 . 30075 1
182 . 1 1 17 17 PHE HD2 H 1 6.810 0.04 . 3 . . . . 102 PHE HD2 . 30075 1
183 . 1 1 17 17 PHE HE1 H 1 7.197 0.04 . 3 . . . . 102 PHE HE1 . 30075 1
184 . 1 1 17 17 PHE HE2 H 1 7.197 0.04 . 3 . . . . 102 PHE HE2 . 30075 1
185 . 1 1 17 17 PHE HZ H 1 7.122 0.04 . 3 . . . . 102 PHE HZ . 30075 1
186 . 1 1 17 17 PHE C C 13 173.776 0.40 . 1 . . . . 102 PHE C . 30075 1
187 . 1 1 17 17 PHE CA C 13 57.004 0.40 . 1 . . . . 102 PHE CA . 30075 1
188 . 1 1 17 17 PHE CB C 13 42.243 0.40 . 1 . . . . 102 PHE CB . 30075 1
189 . 1 1 17 17 PHE CD1 C 13 128.597 0.40 . 3 . . . . 102 PHE CD1 . 30075 1
190 . 1 1 17 17 PHE CE1 C 13 128.514 0.40 . 3 . . . . 102 PHE CE1 . 30075 1
191 . 1 1 17 17 PHE CZ C 13 126.650 0.40 . 1 . . . . 102 PHE CZ . 30075 1
192 . 1 1 17 17 PHE N N 15 122.553 0.40 . 1 . . . . 102 PHE N . 30075 1
193 . 1 1 18 18 CYS H H 1 8.337 0.04 . 1 . . . . 103 CYS H . 30075 1
194 . 1 1 18 18 CYS HA H 1 4.669 0.04 . 1 . . . . 103 CYS HA . 30075 1
195 . 1 1 18 18 CYS HB2 H 1 2.530 0.04 . 2 . . . . 103 CYS HB2 . 30075 1
196 . 1 1 18 18 CYS HB3 H 1 2.902 0.04 . 2 . . . . 103 CYS HB3 . 30075 1
197 . 1 1 18 18 CYS C C 13 175.637 0.40 . 1 . . . . 103 CYS C . 30075 1
198 . 1 1 18 18 CYS CA C 13 58.621 0.40 . 1 . . . . 103 CYS CA . 30075 1
199 . 1 1 18 18 CYS CB C 13 28.703 0.40 . 1 . . . . 103 CYS CB . 30075 1
200 . 1 1 18 18 CYS N N 15 128.073 0.40 . 1 . . . . 103 CYS N . 30075 1
201 . 1 1 19 19 GLU H H 1 9.120 0.04 . 1 . . . . 104 GLU H . 30075 1
202 . 1 1 19 19 GLU HA H 1 4.035 0.04 . 1 . . . . 104 GLU HA . 30075 1
203 . 1 1 19 19 GLU HB2 H 1 2.069 0.04 . 2 . . . . 104 GLU HB2 . 30075 1
204 . 1 1 19 19 GLU HB3 H 1 2.069 0.04 . 2 . . . . 104 GLU HB3 . 30075 1
205 . 1 1 19 19 GLU HG2 H 1 2.244 0.04 . 2 . . . . 104 GLU HG2 . 30075 1
206 . 1 1 19 19 GLU HG3 H 1 2.373 0.04 . 2 . . . . 104 GLU HG3 . 30075 1
207 . 1 1 19 19 GLU C C 13 178.298 0.40 . 1 . . . . 104 GLU C . 30075 1
208 . 1 1 19 19 GLU CA C 13 59.043 0.40 . 1 . . . . 104 GLU CA . 30075 1
209 . 1 1 19 19 GLU CB C 13 30.507 0.40 . 1 . . . . 104 GLU CB . 30075 1
210 . 1 1 19 19 GLU CG C 13 37.462 0.40 . 1 . . . . 104 GLU CG . 30075 1
211 . 1 1 19 19 GLU N N 15 129.386 0.40 . 1 . . . . 104 GLU N . 30075 1
212 . 1 1 20 20 LYS H H 1 7.932 0.04 . 1 . . . . 105 LYS H . 30075 1
213 . 1 1 20 20 LYS HA H 1 3.779 0.04 . 1 . . . . 105 LYS HA . 30075 1
214 . 1 1 20 20 LYS HB2 H 1 1.274 0.04 . 2 . . . . 105 LYS HB2 . 30075 1
215 . 1 1 20 20 LYS HB3 H 1 1.569 0.04 . 2 . . . . 105 LYS HB3 . 30075 1
216 . 1 1 20 20 LYS HG2 H 1 0.942 0.04 . 2 . . . . 105 LYS HG2 . 30075 1
217 . 1 1 20 20 LYS HG3 H 1 1.072 0.04 . 2 . . . . 105 LYS HG3 . 30075 1
218 . 1 1 20 20 LYS HD2 H 1 1.554 0.04 . 2 . . . . 105 LYS HD2 . 30075 1
219 . 1 1 20 20 LYS HD3 H 1 1.554 0.04 . 2 . . . . 105 LYS HD3 . 30075 1
220 . 1 1 20 20 LYS HE2 H 1 2.914 0.04 . 2 . . . . 105 LYS HE2 . 30075 1
221 . 1 1 20 20 LYS HE3 H 1 2.914 0.04 . 2 . . . . 105 LYS HE3 . 30075 1
222 . 1 1 20 20 LYS C C 13 177.640 0.40 . 1 . . . . 105 LYS C . 30075 1
223 . 1 1 20 20 LYS CA C 13 58.388 0.40 . 1 . . . . 105 LYS CA . 30075 1
224 . 1 1 20 20 LYS CB C 13 32.715 0.40 . 1 . . . . 105 LYS CB . 30075 1
225 . 1 1 20 20 LYS CG C 13 24.786 0.40 . 1 . . . . 105 LYS CG . 30075 1
226 . 1 1 20 20 LYS CD C 13 28.832 0.40 . 1 . . . . 105 LYS CD . 30075 1
227 . 1 1 20 20 LYS CE C 13 41.968 0.40 . 1 . . . . 105 LYS CE . 30075 1
228 . 1 1 20 20 LYS N N 15 120.403 0.40 . 1 . . . . 105 LYS N . 30075 1
229 . 1 1 21 21 ASP H H 1 8.111 0.04 . 1 . . . . 106 ASP H . 30075 1
230 . 1 1 21 21 ASP HA H 1 4.741 0.04 . 1 . . . . 106 ASP HA . 30075 1
231 . 1 1 21 21 ASP HB2 H 1 2.630 0.04 . 2 . . . . 106 ASP HB2 . 30075 1
232 . 1 1 21 21 ASP HB3 H 1 2.833 0.04 . 2 . . . . 106 ASP HB3 . 30075 1
233 . 1 1 21 21 ASP C C 13 175.966 0.40 . 1 . . . . 106 ASP C . 30075 1
234 . 1 1 21 21 ASP CA C 13 55.029 0.40 . 1 . . . . 106 ASP CA . 30075 1
235 . 1 1 21 21 ASP CB C 13 42.826 0.40 . 1 . . . . 106 ASP CB . 30075 1
236 . 1 1 21 21 ASP N N 15 115.224 0.40 . 1 . . . . 106 ASP N . 30075 1
237 . 1 1 22 22 GLY H H 1 8.138 0.04 . 1 . . . . 107 GLY H . 30075 1
238 . 1 1 22 22 GLY HA2 H 1 3.687 0.04 . 2 . . . . 107 GLY HA2 . 30075 1
239 . 1 1 22 22 GLY HA3 H 1 3.827 0.04 . 2 . . . . 107 GLY HA3 . 30075 1
240 . 1 1 22 22 GLY C C 13 174.077 0.40 . 1 . . . . 107 GLY C . 30075 1
241 . 1 1 22 22 GLY CA C 13 47.337 0.40 . 1 . . . . 107 GLY CA . 30075 1
242 . 1 1 22 22 GLY N N 15 111.884 0.40 . 1 . . . . 107 GLY N . 30075 1
243 . 1 1 23 23 LYS H H 1 6.639 0.04 . 1 . . . . 108 LYS H . 30075 1
244 . 1 1 23 23 LYS HA H 1 4.555 0.04 . 1 . . . . 108 LYS HA . 30075 1
245 . 1 1 23 23 LYS HB2 H 1 1.413 0.04 . 2 . . . . 108 LYS HB2 . 30075 1
246 . 1 1 23 23 LYS HB3 H 1 1.602 0.04 . 2 . . . . 108 LYS HB3 . 30075 1
247 . 1 1 23 23 LYS HG2 H 1 1.311 0.04 . 2 . . . . 108 LYS HG2 . 30075 1
248 . 1 1 23 23 LYS HG3 H 1 1.371 0.04 . 2 . . . . 108 LYS HG3 . 30075 1
249 . 1 1 23 23 LYS HD2 H 1 1.681 0.04 . 2 . . . . 108 LYS HD2 . 30075 1
250 . 1 1 23 23 LYS HD3 H 1 1.681 0.04 . 2 . . . . 108 LYS HD3 . 30075 1
251 . 1 1 23 23 LYS HE2 H 1 3.037 0.04 . 2 . . . . 108 LYS HE2 . 30075 1
252 . 1 1 23 23 LYS HE3 H 1 3.037 0.04 . 2 . . . . 108 LYS HE3 . 30075 1
253 . 1 1 23 23 LYS C C 13 173.962 0.40 . 1 . . . . 108 LYS C . 30075 1
254 . 1 1 23 23 LYS CA C 13 53.824 0.40 . 1 . . . . 108 LYS CA . 30075 1
255 . 1 1 23 23 LYS CB C 13 36.311 0.40 . 1 . . . . 108 LYS CB . 30075 1
256 . 1 1 23 23 LYS CG C 13 23.959 0.40 . 1 . . . . 108 LYS CG . 30075 1
257 . 1 1 23 23 LYS CD C 13 28.754 0.40 . 1 . . . . 108 LYS CD . 30075 1
258 . 1 1 23 23 LYS CE C 13 42.248 0.40 . 1 . . . . 108 LYS CE . 30075 1
259 . 1 1 23 23 LYS N N 15 116.112 0.40 . 1 . . . . 108 LYS N . 30075 1
260 . 1 1 24 24 ALA H H 1 8.595 0.04 . 1 . . . . 109 ALA H . 30075 1
261 . 1 1 24 24 ALA HA H 1 5.056 0.04 . 1 . . . . 109 ALA HA . 30075 1
262 . 1 1 24 24 ALA HB1 H 1 1.514 0.04 . 1 . . . . 109 ALA HB1 . 30075 1
263 . 1 1 24 24 ALA HB2 H 1 1.514 0.04 . 1 . . . . 109 ALA HB2 . 30075 1
264 . 1 1 24 24 ALA HB3 H 1 1.514 0.04 . 1 . . . . 109 ALA HB3 . 30075 1
265 . 1 1 24 24 ALA C C 13 176.023 0.40 . 1 . . . . 109 ALA C . 30075 1
266 . 1 1 24 24 ALA CA C 13 51.369 0.40 . 1 . . . . 109 ALA CA . 30075 1
267 . 1 1 24 24 ALA CB C 13 20.734 0.40 . 1 . . . . 109 ALA CB . 30075 1
268 . 1 1 24 24 ALA N N 15 125.688 0.40 . 1 . . . . 109 ALA N . 30075 1
269 . 1 1 25 25 LEU H H 1 9.228 0.04 . 1 . . . . 110 LEU H . 30075 1
270 . 1 1 25 25 LEU HA H 1 4.843 0.04 . 1 . . . . 110 LEU HA . 30075 1
271 . 1 1 25 25 LEU HB2 H 1 1.435 0.04 . 2 . . . . 110 LEU HB2 . 30075 1
272 . 1 1 25 25 LEU HB3 H 1 1.473 0.04 . 2 . . . . 110 LEU HB3 . 30075 1
273 . 1 1 25 25 LEU HG H 1 1.386 0.04 . 1 . . . . 110 LEU HG . 30075 1
274 . 1 1 25 25 LEU HD11 H 1 0.240 0.04 . 2 . . . . 110 LEU HD11 . 30075 1
275 . 1 1 25 25 LEU HD12 H 1 0.240 0.04 . 2 . . . . 110 LEU HD12 . 30075 1
276 . 1 1 25 25 LEU HD13 H 1 0.240 0.04 . 2 . . . . 110 LEU HD13 . 30075 1
277 . 1 1 25 25 LEU HD21 H 1 0.289 0.04 . 2 . . . . 110 LEU HD21 . 30075 1
278 . 1 1 25 25 LEU HD22 H 1 0.289 0.04 . 2 . . . . 110 LEU HD22 . 30075 1
279 . 1 1 25 25 LEU HD23 H 1 0.289 0.04 . 2 . . . . 110 LEU HD23 . 30075 1
280 . 1 1 25 25 LEU C C 13 176.767 0.40 . 1 . . . . 110 LEU C . 30075 1
281 . 1 1 25 25 LEU CA C 13 54.067 0.40 . 1 . . . . 110 LEU CA . 30075 1
282 . 1 1 25 25 LEU CB C 13 46.090 0.40 . 1 . . . . 110 LEU CB . 30075 1
283 . 1 1 25 25 LEU CG C 13 25.804 0.40 . 1 . . . . 110 LEU CG . 30075 1
284 . 1 1 25 25 LEU CD1 C 13 26.535 0.40 . 2 . . . . 110 LEU CD1 . 30075 1
285 . 1 1 25 25 LEU CD2 C 13 21.963 0.40 . 2 . . . . 110 LEU CD2 . 30075 1
286 . 1 1 25 25 LEU N N 15 120.376 0.40 . 1 . . . . 110 LEU N . 30075 1
287 . 1 1 26 26 CYS H H 1 7.671 0.04 . 1 . . . . 111 CYS H . 30075 1
288 . 1 1 26 26 CYS HA H 1 5.097 0.04 . 1 . . . . 111 CYS HA . 30075 1
289 . 1 1 26 26 CYS HB2 H 1 2.888 0.04 . 2 . . . . 111 CYS HB2 . 30075 1
290 . 1 1 26 26 CYS HB3 H 1 3.183 0.04 . 2 . . . . 111 CYS HB3 . 30075 1
291 . 1 1 26 26 CYS C C 13 176.538 0.40 . 1 . . . . 111 CYS C . 30075 1
292 . 1 1 26 26 CYS CA C 13 56.767 0.40 . 1 . . . . 111 CYS CA . 30075 1
293 . 1 1 26 26 CYS CB C 13 34.254 0.40 . 1 . . . . 111 CYS CB . 30075 1
294 . 1 1 26 26 CYS N N 15 118.719 0.40 . 1 . . . . 111 CYS N . 30075 1
295 . 1 1 27 27 TRP H H 1 9.418 0.04 . 1 . . . . 112 TRP H . 30075 1
296 . 1 1 27 27 TRP HA H 1 4.285 0.04 . 1 . . . . 112 TRP HA . 30075 1
297 . 1 1 27 27 TRP HB2 H 1 3.148 0.04 . 2 . . . . 112 TRP HB2 . 30075 1
298 . 1 1 27 27 TRP HB3 H 1 3.475 0.04 . 2 . . . . 112 TRP HB3 . 30075 1
299 . 1 1 27 27 TRP HD1 H 1 7.546 0.04 . 1 . . . . 112 TRP HD1 . 30075 1
300 . 1 1 27 27 TRP HE1 H 1 10.207 0.04 . 1 . . . . 112 TRP HE1 . 30075 1
301 . 1 1 27 27 TRP HE3 H 1 7.272 0.04 . 1 . . . . 112 TRP HE3 . 30075 1
302 . 1 1 27 27 TRP HZ2 H 1 7.337 0.04 . 1 . . . . 112 TRP HZ2 . 30075 1
303 . 1 1 27 27 TRP HZ3 H 1 7.001 0.04 . 1 . . . . 112 TRP HZ3 . 30075 1
304 . 1 1 27 27 TRP HH2 H 1 7.119 0.04 . 1 . . . . 112 TRP HH2 . 30075 1
305 . 1 1 27 27 TRP C C 13 177.096 0.40 . 1 . . . . 112 TRP C . 30075 1
306 . 1 1 27 27 TRP CA C 13 60.376 0.40 . 1 . . . . 112 TRP CA . 30075 1
307 . 1 1 27 27 TRP CB C 13 27.906 0.40 . 1 . . . . 112 TRP CB . 30075 1
308 . 1 1 27 27 TRP CD1 C 13 135.599 0.40 . 1 . . . . 112 TRP CD1 . 30075 1
309 . 1 1 27 27 TRP CE3 C 13 117.689 0.40 . 1 . . . . 112 TRP CE3 . 30075 1
310 . 1 1 27 27 TRP CZ2 C 13 111.794 0.40 . 1 . . . . 112 TRP CZ2 . 30075 1
311 . 1 1 27 27 TRP CZ3 C 13 119.202 0.40 . 1 . . . . 112 TRP CZ3 . 30075 1
312 . 1 1 27 27 TRP CH2 C 13 121.899 0.40 . 1 . . . . 112 TRP CH2 . 30075 1
313 . 1 1 27 27 TRP N N 15 119.546 0.40 . 1 . . . . 112 TRP N . 30075 1
314 . 1 1 27 27 TRP NE1 N 15 129.604 0.40 . 1 . . . . 112 TRP NE1 . 30075 1
315 . 1 1 28 28 VAL H H 1 7.966 0.04 . 1 . . . . 113 VAL H . 30075 1
316 . 1 1 28 28 VAL HA H 1 3.019 0.04 . 1 . . . . 113 VAL HA . 30075 1
317 . 1 1 28 28 VAL HB H 1 0.464 0.04 . 1 . . . . 113 VAL HB . 30075 1
318 . 1 1 28 28 VAL HG11 H 1 0.091 0.04 . 2 . . . . 113 VAL HG11 . 30075 1
319 . 1 1 28 28 VAL HG12 H 1 0.091 0.04 . 2 . . . . 113 VAL HG12 . 30075 1
320 . 1 1 28 28 VAL HG13 H 1 0.091 0.04 . 2 . . . . 113 VAL HG13 . 30075 1
321 . 1 1 28 28 VAL HG21 H 1 -0.407 0.04 . 2 . . . . 113 VAL HG21 . 30075 1
322 . 1 1 28 28 VAL HG22 H 1 -0.407 0.04 . 2 . . . . 113 VAL HG22 . 30075 1
323 . 1 1 28 28 VAL HG23 H 1 -0.407 0.04 . 2 . . . . 113 VAL HG23 . 30075 1
324 . 1 1 28 28 VAL C C 13 180.416 0.40 . 1 . . . . 113 VAL C . 30075 1
325 . 1 1 28 28 VAL CA C 13 65.693 0.40 . 1 . . . . 113 VAL CA . 30075 1
326 . 1 1 28 28 VAL CB C 13 30.949 0.40 . 1 . . . . 113 VAL CB . 30075 1
327 . 1 1 28 28 VAL CG1 C 13 20.756 0.40 . 2 . . . . 113 VAL CG1 . 30075 1
328 . 1 1 28 28 VAL CG2 C 13 19.535 0.40 . 2 . . . . 113 VAL CG2 . 30075 1
329 . 1 1 28 28 VAL N N 15 125.174 0.40 . 1 . . . . 113 VAL N . 30075 1
330 . 1 1 29 29 CYS H H 1 8.094 0.04 . 1 . . . . 114 CYS H . 30075 1
331 . 1 1 29 29 CYS HA H 1 3.968 0.04 . 1 . . . . 114 CYS HA . 30075 1
332 . 1 1 29 29 CYS HB2 H 1 2.859 0.04 . 2 . . . . 114 CYS HB2 . 30075 1
333 . 1 1 29 29 CYS HB3 H 1 3.616 0.04 . 2 . . . . 114 CYS HB3 . 30075 1
334 . 1 1 29 29 CYS C C 13 179.400 0.40 . 1 . . . . 114 CYS C . 30075 1
335 . 1 1 29 29 CYS CA C 13 64.636 0.40 . 1 . . . . 114 CYS CA . 30075 1
336 . 1 1 29 29 CYS CB C 13 31.791 0.40 . 1 . . . . 114 CYS CB . 30075 1
337 . 1 1 29 29 CYS N N 15 124.250 0.40 . 1 . . . . 114 CYS N . 30075 1
338 . 1 1 30 30 ALA H H 1 8.080 0.04 . 1 . . . . 115 ALA H . 30075 1
339 . 1 1 30 30 ALA HA H 1 3.798 0.04 . 1 . . . . 115 ALA HA . 30075 1
340 . 1 1 30 30 ALA HB1 H 1 1.363 0.04 . 1 . . . . 115 ALA HB1 . 30075 1
341 . 1 1 30 30 ALA HB2 H 1 1.363 0.04 . 1 . . . . 115 ALA HB2 . 30075 1
342 . 1 1 30 30 ALA HB3 H 1 1.363 0.04 . 1 . . . . 115 ALA HB3 . 30075 1
343 . 1 1 30 30 ALA C C 13 177.053 0.40 . 1 . . . . 115 ALA C . 30075 1
344 . 1 1 30 30 ALA CA C 13 54.604 0.40 . 1 . . . . 115 ALA CA . 30075 1
345 . 1 1 30 30 ALA CB C 13 19.007 0.40 . 1 . . . . 115 ALA CB . 30075 1
346 . 1 1 30 30 ALA N N 15 118.964 0.40 . 1 . . . . 115 ALA N . 30075 1
347 . 1 1 31 31 GLN H H 1 7.180 0.04 . 1 . . . . 116 GLN H . 30075 1
348 . 1 1 31 31 GLN HA H 1 4.298 0.04 . 1 . . . . 116 GLN HA . 30075 1
349 . 1 1 31 31 GLN HB2 H 1 2.015 0.04 . 2 . . . . 116 GLN HB2 . 30075 1
350 . 1 1 31 31 GLN HB3 H 1 2.221 0.04 . 2 . . . . 116 GLN HB3 . 30075 1
351 . 1 1 31 31 GLN HG2 H 1 2.417 0.04 . 2 . . . . 116 GLN HG2 . 30075 1
352 . 1 1 31 31 GLN HG3 H 1 2.541 0.04 . 2 . . . . 116 GLN HG3 . 30075 1
353 . 1 1 31 31 GLN C C 13 176.395 0.40 . 1 . . . . 116 GLN C . 30075 1
354 . 1 1 31 31 GLN CA C 13 55.369 0.40 . 1 . . . . 116 GLN CA . 30075 1
355 . 1 1 31 31 GLN CB C 13 28.970 0.40 . 1 . . . . 116 GLN CB . 30075 1
356 . 1 1 31 31 GLN CG C 13 33.601 0.40 . 1 . . . . 116 GLN CG . 30075 1
357 . 1 1 31 31 GLN N N 15 113.166 0.40 . 1 . . . . 116 GLN N . 30075 1
358 . 1 1 32 32 SER H H 1 7.500 0.04 . 1 . . . . 117 SER H . 30075 1
359 . 1 1 32 32 SER HA H 1 4.394 0.04 . 1 . . . . 117 SER HA . 30075 1
360 . 1 1 32 32 SER HB2 H 1 4.123 0.04 . 2 . . . . 117 SER HB2 . 30075 1
361 . 1 1 32 32 SER HB3 H 1 4.301 0.04 . 2 . . . . 117 SER HB3 . 30075 1
362 . 1 1 32 32 SER CA C 13 58.312 0.40 . 1 . . . . 117 SER CA . 30075 1
363 . 1 1 32 32 SER CB C 13 64.685 0.40 . 1 . . . . 117 SER CB . 30075 1
364 . 1 1 32 32 SER N N 15 115.613 0.40 . 1 . . . . 117 SER N . 30075 1
365 . 1 1 33 33 ARG HB2 H 1 1.677 0.04 . 2 . . . . 118 ARG HB2 . 30075 1
366 . 1 1 33 33 ARG HB3 H 1 1.797 0.04 . 2 . . . . 118 ARG HB3 . 30075 1
367 . 1 1 33 33 ARG HG2 H 1 1.583 0.04 . 2 . . . . 118 ARG HG2 . 30075 1
368 . 1 1 33 33 ARG HG3 H 1 1.583 0.04 . 2 . . . . 118 ARG HG3 . 30075 1
369 . 1 1 33 33 ARG HD2 H 1 3.094 0.04 . 2 . . . . 118 ARG HD2 . 30075 1
370 . 1 1 33 33 ARG HD3 H 1 3.154 0.04 . 2 . . . . 118 ARG HD3 . 30075 1
371 . 1 1 33 33 ARG CB C 13 29.483 0.40 . 1 . . . . 118 ARG CB . 30075 1
372 . 1 1 33 33 ARG CG C 13 26.021 0.40 . 1 . . . . 118 ARG CG . 30075 1
373 . 1 1 33 33 ARG CD C 13 43.520 0.40 . 1 . . . . 118 ARG CD . 30075 1
374 . 1 1 34 34 LYS HA H 1 4.027 0.04 . 1 . . . . 119 LYS HA . 30075 1
375 . 1 1 34 34 LYS HB2 H 1 1.102 0.04 . 2 . . . . 119 LYS HB2 . 30075 1
376 . 1 1 34 34 LYS HB3 H 1 1.706 0.04 . 2 . . . . 119 LYS HB3 . 30075 1
377 . 1 1 34 34 LYS HG2 H 1 0.694 0.04 . 2 . . . . 119 LYS HG2 . 30075 1
378 . 1 1 34 34 LYS HG3 H 1 1.015 0.04 . 2 . . . . 119 LYS HG3 . 30075 1
379 . 1 1 34 34 LYS HD2 H 1 1.351 0.04 . 2 . . . . 119 LYS HD2 . 30075 1
380 . 1 1 34 34 LYS HD3 H 1 1.065 0.04 . 2 . . . . 119 LYS HD3 . 30075 1
381 . 1 1 34 34 LYS HE2 H 1 2.815 0.04 . 2 . . . . 119 LYS HE2 . 30075 1
382 . 1 1 34 34 LYS HE3 H 1 2.815 0.04 . 2 . . . . 119 LYS HE3 . 30075 1
383 . 1 1 34 34 LYS CA C 13 58.312 0.40 . 1 . . . . 119 LYS CA . 30075 1
384 . 1 1 34 34 LYS CB C 13 32.618 0.40 . 1 . . . . 119 LYS CB . 30075 1
385 . 1 1 34 34 LYS CG C 13 23.941 0.40 . 1 . . . . 119 LYS CG . 30075 1
386 . 1 1 34 34 LYS CD C 13 27.758 0.40 . 1 . . . . 119 LYS CD . 30075 1
387 . 1 1 34 34 LYS CE C 13 42.086 0.40 . 1 . . . . 119 LYS CE . 30075 1
388 . 1 1 35 35 HIS HE1 H 1 7.958 0.04 . 1 . . . . 120 HIS HE1 . 30075 1
389 . 1 1 35 35 HIS CE1 C 13 138.257 0.40 . 1 . . . . 120 HIS CE1 . 30075 1
390 . 1 1 36 36 ARG HA H 1 3.893 0.04 . 1 . . . . 121 ARG HA . 30075 1
391 . 1 1 36 36 ARG HB2 H 1 1.855 0.04 . 2 . . . . 121 ARG HB2 . 30075 1
392 . 1 1 36 36 ARG HB3 H 1 1.855 0.04 . 2 . . . . 121 ARG HB3 . 30075 1
393 . 1 1 36 36 ARG HG2 H 1 1.673 0.04 . 2 . . . . 121 ARG HG2 . 30075 1
394 . 1 1 36 36 ARG HG3 H 1 1.673 0.04 . 2 . . . . 121 ARG HG3 . 30075 1
395 . 1 1 36 36 ARG HD2 H 1 3.191 0.04 . 2 . . . . 121 ARG HD2 . 30075 1
396 . 1 1 36 36 ARG HD3 H 1 3.191 0.04 . 2 . . . . 121 ARG HD3 . 30075 1
397 . 1 1 36 36 ARG CA C 13 58.816 0.40 . 1 . . . . 121 ARG CA . 30075 1
398 . 1 1 36 36 ARG CB C 13 29.528 0.40 . 1 . . . . 121 ARG CB . 30075 1
399 . 1 1 36 36 ARG CG C 13 27.362 0.40 . 1 . . . . 121 ARG CG . 30075 1
400 . 1 1 36 36 ARG CD C 13 43.175 0.40 . 1 . . . . 121 ARG CD . 30075 1
401 . 1 1 37 37 ASP C C 13 176.066 0.40 . 1 . . . . 122 ASP C . 30075 1
402 . 1 1 38 38 HIS H H 1 8.137 0.04 . 1 . . . . 123 HIS H . 30075 1
403 . 1 1 38 38 HIS HE1 H 1 7.441 0.04 . 1 . . . . 123 HIS HE1 . 30075 1
404 . 1 1 38 38 HIS C C 13 174.921 0.40 . 1 . . . . 123 HIS C . 30075 1
405 . 1 1 38 38 HIS CE1 C 13 136.086 0.40 . 1 . . . . 123 HIS CE1 . 30075 1
406 . 1 1 38 38 HIS N N 15 120.425 0.40 . 1 . . . . 123 HIS N . 30075 1
407 . 1 1 39 39 ALA H H 1 8.675 0.04 . 1 . . . . 124 ALA H . 30075 1
408 . 1 1 39 39 ALA HA H 1 4.412 0.04 . 1 . . . . 124 ALA HA . 30075 1
409 . 1 1 39 39 ALA HB1 H 1 1.440 0.04 . 1 . . . . 124 ALA HB1 . 30075 1
410 . 1 1 39 39 ALA HB2 H 1 1.440 0.04 . 1 . . . . 124 ALA HB2 . 30075 1
411 . 1 1 39 39 ALA HB3 H 1 1.440 0.04 . 1 . . . . 124 ALA HB3 . 30075 1
412 . 1 1 39 39 ALA C C 13 176.016 0.40 . 1 . . . . 124 ALA C . 30075 1
413 . 1 1 39 39 ALA CA C 13 52.767 0.40 . 1 . . . . 124 ALA CA . 30075 1
414 . 1 1 39 39 ALA CB C 13 18.514 0.40 . 1 . . . . 124 ALA CB . 30075 1
415 . 1 1 39 39 ALA N N 15 126.423 0.40 . 1 . . . . 124 ALA N . 30075 1
416 . 1 1 40 40 MET H H 1 8.342 0.04 . 1 . . . . 125 MET H . 30075 1
417 . 1 1 40 40 MET HA H 1 5.529 0.04 . 1 . . . . 125 MET HA . 30075 1
418 . 1 1 40 40 MET HB2 H 1 1.716 0.04 . 2 . . . . 125 MET HB2 . 30075 1
419 . 1 1 40 40 MET HB3 H 1 1.967 0.04 . 2 . . . . 125 MET HB3 . 30075 1
420 . 1 1 40 40 MET HG2 H 1 2.438 0.04 . 2 . . . . 125 MET HG2 . 30075 1
421 . 1 1 40 40 MET HG3 H 1 2.694 0.04 . 2 . . . . 125 MET HG3 . 30075 1
422 . 1 1 40 40 MET HE1 H 1 2.202 0.04 . 1 . . . . 125 MET HE1 . 30075 1
423 . 1 1 40 40 MET HE2 H 1 2.202 0.04 . 1 . . . . 125 MET HE2 . 30075 1
424 . 1 1 40 40 MET HE3 H 1 2.202 0.04 . 1 . . . . 125 MET HE3 . 30075 1
425 . 1 1 40 40 MET C C 13 176.080 0.40 . 1 . . . . 125 MET C . 30075 1
426 . 1 1 40 40 MET CA C 13 54.133 0.40 . 1 . . . . 125 MET CA . 30075 1
427 . 1 1 40 40 MET CB C 13 37.130 0.40 . 1 . . . . 125 MET CB . 30075 1
428 . 1 1 40 40 MET CG C 13 32.116 0.40 . 1 . . . . 125 MET CG . 30075 1
429 . 1 1 40 40 MET CE C 13 18.775 0.40 . 1 . . . . 125 MET CE . 30075 1
430 . 1 1 40 40 MET N N 15 121.252 0.40 . 1 . . . . 125 MET N . 30075 1
431 . 1 1 41 41 VAL H H 1 8.947 0.04 . 1 . . . . 126 VAL H . 30075 1
432 . 1 1 41 41 VAL HA H 1 4.945 0.04 . 1 . . . . 126 VAL HA . 30075 1
433 . 1 1 41 41 VAL HB H 1 2.325 0.04 . 1 . . . . 126 VAL HB . 30075 1
434 . 1 1 41 41 VAL HG11 H 1 1.011 0.04 . 2 . . . . 126 VAL HG11 . 30075 1
435 . 1 1 41 41 VAL HG12 H 1 1.011 0.04 . 2 . . . . 126 VAL HG12 . 30075 1
436 . 1 1 41 41 VAL HG13 H 1 1.011 0.04 . 2 . . . . 126 VAL HG13 . 30075 1
437 . 1 1 41 41 VAL HG21 H 1 0.988 0.04 . 2 . . . . 126 VAL HG21 . 30075 1
438 . 1 1 41 41 VAL HG22 H 1 0.988 0.04 . 2 . . . . 126 VAL HG22 . 30075 1
439 . 1 1 41 41 VAL HG23 H 1 0.988 0.04 . 2 . . . . 126 VAL HG23 . 30075 1
440 . 1 1 41 41 VAL CA C 13 58.117 0.40 . 1 . . . . 126 VAL CA . 30075 1
441 . 1 1 41 41 VAL CB C 13 33.712 0.40 . 1 . . . . 126 VAL CB . 30075 1
442 . 1 1 41 41 VAL CG1 C 13 18.993 0.40 . 2 . . . . 126 VAL CG1 . 30075 1
443 . 1 1 41 41 VAL CG2 C 13 21.766 0.40 . 2 . . . . 126 VAL CG2 . 30075 1
444 . 1 1 41 41 VAL N N 15 117.208 0.40 . 1 . . . . 126 VAL N . 30075 1
445 . 1 1 42 42 PRO HA H 1 4.597 0.04 . 1 . . . . 127 PRO HA . 30075 1
446 . 1 1 42 42 PRO HB2 H 1 2.406 0.04 . 2 . . . . 127 PRO HB2 . 30075 1
447 . 1 1 42 42 PRO HB3 H 1 1.858 0.04 . 2 . . . . 127 PRO HB3 . 30075 1
448 . 1 1 42 42 PRO HG2 H 1 1.957 0.04 . 2 . . . . 127 PRO HG2 . 30075 1
449 . 1 1 42 42 PRO HG3 H 1 2.139 0.04 . 2 . . . . 127 PRO HG3 . 30075 1
450 . 1 1 42 42 PRO HD2 H 1 3.693 0.04 . 2 . . . . 127 PRO HD2 . 30075 1
451 . 1 1 42 42 PRO HD3 H 1 3.845 0.04 . 2 . . . . 127 PRO HD3 . 30075 1
452 . 1 1 42 42 PRO C C 13 176.882 0.40 . 1 . . . . 127 PRO C . 30075 1
453 . 1 1 42 42 PRO CA C 13 63.222 0.40 . 1 . . . . 127 PRO CA . 30075 1
454 . 1 1 42 42 PRO CB C 13 32.172 0.40 . 1 . . . . 127 PRO CB . 30075 1
455 . 1 1 42 42 PRO CG C 13 27.911 0.40 . 1 . . . . 127 PRO CG . 30075 1
456 . 1 1 42 42 PRO CD C 13 50.776 0.40 . 1 . . . . 127 PRO CD . 30075 1
457 . 1 1 43 43 LEU H H 1 7.769 0.04 . 1 . . . . 128 LEU H . 30075 1
458 . 1 1 43 43 LEU HA H 1 4.199 0.04 . 1 . . . . 128 LEU HA . 30075 1
459 . 1 1 43 43 LEU HB2 H 1 1.251 0.04 . 2 . . . . 128 LEU HB2 . 30075 1
460 . 1 1 43 43 LEU HB3 H 1 1.510 0.04 . 2 . . . . 128 LEU HB3 . 30075 1
461 . 1 1 43 43 LEU HG H 1 1.352 0.04 . 1 . . . . 128 LEU HG . 30075 1
462 . 1 1 43 43 LEU HD11 H 1 0.804 0.04 . 2 . . . . 128 LEU HD11 . 30075 1
463 . 1 1 43 43 LEU HD12 H 1 0.804 0.04 . 2 . . . . 128 LEU HD12 . 30075 1
464 . 1 1 43 43 LEU HD13 H 1 0.804 0.04 . 2 . . . . 128 LEU HD13 . 30075 1
465 . 1 1 43 43 LEU HD21 H 1 0.796 0.04 . 2 . . . . 128 LEU HD21 . 30075 1
466 . 1 1 43 43 LEU HD22 H 1 0.796 0.04 . 2 . . . . 128 LEU HD22 . 30075 1
467 . 1 1 43 43 LEU HD23 H 1 0.796 0.04 . 2 . . . . 128 LEU HD23 . 30075 1
468 . 1 1 43 43 LEU C C 13 176.789 0.40 . 1 . . . . 128 LEU C . 30075 1
469 . 1 1 43 43 LEU CA C 13 55.174 0.40 . 1 . . . . 128 LEU CA . 30075 1
470 . 1 1 43 43 LEU CB C 13 42.805 0.40 . 1 . . . . 128 LEU CB . 30075 1
471 . 1 1 43 43 LEU CG C 13 26.981 0.40 . 1 . . . . 128 LEU CG . 30075 1
472 . 1 1 43 43 LEU CD1 C 13 24.914 0.40 . 2 . . . . 128 LEU CD1 . 30075 1
473 . 1 1 43 43 LEU CD2 C 13 24.777 0.40 . 2 . . . . 128 LEU CD2 . 30075 1
474 . 1 1 43 43 LEU N N 15 123.226 0.40 . 1 . . . . 128 LEU N . 30075 1
475 . 1 1 44 44 GLU H H 1 8.420 0.04 . 1 . . . . 129 GLU H . 30075 1
476 . 1 1 44 44 GLU HA H 1 4.344 0.04 . 1 . . . . 129 GLU HA . 30075 1
477 . 1 1 44 44 GLU HB2 H 1 1.846 0.04 . 2 . . . . 129 GLU HB2 . 30075 1
478 . 1 1 44 44 GLU HB3 H 1 2.026 0.04 . 2 . . . . 129 GLU HB3 . 30075 1
479 . 1 1 44 44 GLU HG2 H 1 2.199 0.04 . 2 . . . . 129 GLU HG2 . 30075 1
480 . 1 1 44 44 GLU HG3 H 1 2.199 0.04 . 2 . . . . 129 GLU HG3 . 30075 1
481 . 1 1 44 44 GLU C C 13 175.179 0.40 . 1 . . . . 129 GLU C . 30075 1
482 . 1 1 44 44 GLU CA C 13 56.035 0.40 . 1 . . . . 129 GLU CA . 30075 1
483 . 1 1 44 44 GLU CB C 13 30.841 0.40 . 1 . . . . 129 GLU CB . 30075 1
484 . 1 1 44 44 GLU CG C 13 36.172 0.40 . 1 . . . . 129 GLU CG . 30075 1
485 . 1 1 44 44 GLU N N 15 122.596 0.40 . 1 . . . . 129 GLU N . 30075 1
486 . 1 1 45 45 GLU H H 1 8.024 0.04 . 1 . . . . 130 GLU H . 30075 1
487 . 1 1 45 45 GLU HA H 1 4.100 0.04 . 1 . . . . 130 GLU HA . 30075 1
488 . 1 1 45 45 GLU HB2 H 1 1.865 0.04 . 2 . . . . 130 GLU HB2 . 30075 1
489 . 1 1 45 45 GLU HB3 H 1 2.021 0.04 . 2 . . . . 130 GLU HB3 . 30075 1
490 . 1 1 45 45 GLU HG2 H 1 2.175 0.04 . 2 . . . . 130 GLU HG2 . 30075 1
491 . 1 1 45 45 GLU HG3 H 1 2.175 0.04 . 2 . . . . 130 GLU HG3 . 30075 1
492 . 1 1 45 45 GLU CA C 13 58.037 0.40 . 1 . . . . 130 GLU CA . 30075 1
493 . 1 1 45 45 GLU CB C 13 31.362 0.40 . 1 . . . . 130 GLU CB . 30075 1
494 . 1 1 45 45 GLU CG C 13 36.798 0.40 . 1 . . . . 130 GLU CG . 30075 1
495 . 1 1 45 45 GLU N N 15 127.269 0.40 . 1 . . . . 130 GLU N . 30075 1
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