Content for NMR-STAR saveframe, "chemical_shift_1"
save_chemical_shift_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_1
_Assigned_chem_shift_list.Entry_ID 11170
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $condition_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11170 1
2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11170 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $XWINNMR . . 11170 1
2 $NMRPipe . . 11170 1
3 $NMRVIEW . . 11170 1
4 $Kujira . . 11170 1
5 $CYANA . . 11170 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 7 7 GLY HA2 H 1 4.020 0.030 . 1 . . . . 7 GLY HA2 . 11170 1
2 . 1 1 7 7 GLY HA3 H 1 4.020 0.030 . 1 . . . . 7 GLY HA3 . 11170 1
3 . 1 1 7 7 GLY C C 13 174.528 0.300 . 1 . . . . 7 GLY C . 11170 1
4 . 1 1 7 7 GLY CA C 13 45.392 0.300 . 1 . . . . 7 GLY CA . 11170 1
5 . 1 1 8 8 THR H H 1 8.148 0.030 . 1 . . . . 8 THR H . 11170 1
6 . 1 1 8 8 THR HA H 1 4.356 0.030 . 1 . . . . 8 THR HA . 11170 1
7 . 1 1 8 8 THR HB H 1 4.312 0.030 . 1 . . . . 8 THR HB . 11170 1
8 . 1 1 8 8 THR HG21 H 1 1.189 0.030 . 1 . . . . 8 THR HG2 . 11170 1
9 . 1 1 8 8 THR HG22 H 1 1.189 0.030 . 1 . . . . 8 THR HG2 . 11170 1
10 . 1 1 8 8 THR HG23 H 1 1.189 0.030 . 1 . . . . 8 THR HG2 . 11170 1
11 . 1 1 8 8 THR C C 13 175.231 0.300 . 1 . . . . 8 THR C . 11170 1
12 . 1 1 8 8 THR CA C 13 61.732 0.300 . 1 . . . . 8 THR CA . 11170 1
13 . 1 1 8 8 THR CB C 13 69.735 0.300 . 1 . . . . 8 THR CB . 11170 1
14 . 1 1 8 8 THR CG2 C 13 21.432 0.300 . 1 . . . . 8 THR CG2 . 11170 1
15 . 1 1 8 8 THR N N 15 112.842 0.300 . 1 . . . . 8 THR N . 11170 1
16 . 1 1 9 9 GLY H H 1 8.435 0.030 . 1 . . . . 9 GLY H . 11170 1
17 . 1 1 9 9 GLY HA2 H 1 3.947 0.030 . 2 . . . . 9 GLY HA2 . 11170 1
18 . 1 1 9 9 GLY HA3 H 1 3.920 0.030 . 2 . . . . 9 GLY HA3 . 11170 1
19 . 1 1 9 9 GLY C C 13 174.013 0.300 . 1 . . . . 9 GLY C . 11170 1
20 . 1 1 9 9 GLY CA C 13 45.240 0.300 . 1 . . . . 9 GLY CA . 11170 1
21 . 1 1 9 9 GLY N N 15 110.961 0.300 . 1 . . . . 9 GLY N . 11170 1
22 . 1 1 10 10 GLU H H 1 8.204 0.030 . 1 . . . . 10 GLU H . 11170 1
23 . 1 1 10 10 GLU HA H 1 4.192 0.030 . 1 . . . . 10 GLU HA . 11170 1
24 . 1 1 10 10 GLU HB2 H 1 1.966 0.030 . 2 . . . . 10 GLU HB2 . 11170 1
25 . 1 1 10 10 GLU HB3 H 1 1.880 0.030 . 2 . . . . 10 GLU HB3 . 11170 1
26 . 1 1 10 10 GLU HG2 H 1 2.242 0.030 . 2 . . . . 10 GLU HG2 . 11170 1
27 . 1 1 10 10 GLU HG3 H 1 2.192 0.030 . 2 . . . . 10 GLU HG3 . 11170 1
28 . 1 1 10 10 GLU C C 13 176.351 0.300 . 1 . . . . 10 GLU C . 11170 1
29 . 1 1 10 10 GLU CA C 13 56.685 0.300 . 1 . . . . 10 GLU CA . 11170 1
30 . 1 1 10 10 GLU CB C 13 30.436 0.300 . 1 . . . . 10 GLU CB . 11170 1
31 . 1 1 10 10 GLU CG C 13 36.248 0.300 . 1 . . . . 10 GLU CG . 11170 1
32 . 1 1 10 10 GLU N N 15 120.371 0.300 . 1 . . . . 10 GLU N . 11170 1
33 . 1 1 11 11 LYS H H 1 8.334 0.030 . 1 . . . . 11 LYS H . 11170 1
34 . 1 1 11 11 LYS HA H 1 4.490 0.030 . 1 . . . . 11 LYS HA . 11170 1
35 . 1 1 11 11 LYS HB2 H 1 1.569 0.030 . 2 . . . . 11 LYS HB2 . 11170 1
36 . 1 1 11 11 LYS HB3 H 1 1.470 0.030 . 2 . . . . 11 LYS HB3 . 11170 1
37 . 1 1 11 11 LYS HD2 H 1 1.485 0.030 . 1 . . . . 11 LYS HD2 . 11170 1
38 . 1 1 11 11 LYS HD3 H 1 1.485 0.030 . 1 . . . . 11 LYS HD3 . 11170 1
39 . 1 1 11 11 LYS HE2 H 1 2.899 0.030 . 1 . . . . 11 LYS HE2 . 11170 1
40 . 1 1 11 11 LYS HE3 H 1 2.899 0.030 . 1 . . . . 11 LYS HE3 . 11170 1
41 . 1 1 11 11 LYS HG2 H 1 1.327 0.030 . 2 . . . . 11 LYS HG2 . 11170 1
42 . 1 1 11 11 LYS HG3 H 1 1.203 0.030 . 2 . . . . 11 LYS HG3 . 11170 1
43 . 1 1 11 11 LYS C C 13 174.195 0.300 . 1 . . . . 11 LYS C . 11170 1
44 . 1 1 11 11 LYS CA C 13 53.965 0.300 . 1 . . . . 11 LYS CA . 11170 1
45 . 1 1 11 11 LYS CB C 13 32.996 0.300 . 1 . . . . 11 LYS CB . 11170 1
46 . 1 1 11 11 LYS CD C 13 29.427 0.300 . 1 . . . . 11 LYS CD . 11170 1
47 . 1 1 11 11 LYS CE C 13 42.292 0.300 . 1 . . . . 11 LYS CE . 11170 1
48 . 1 1 11 11 LYS CG C 13 24.923 0.300 . 1 . . . . 11 LYS CG . 11170 1
49 . 1 1 11 11 LYS N N 15 122.172 0.300 . 1 . . . . 11 LYS N . 11170 1
50 . 1 1 12 12 PRO HA H 1 4.256 0.030 . 1 . . . . 12 PRO HA . 11170 1
51 . 1 1 12 12 PRO HB2 H 1 1.223 0.030 . 2 . . . . 12 PRO HB2 . 11170 1
52 . 1 1 12 12 PRO HB3 H 1 2.020 0.030 . 2 . . . . 12 PRO HB3 . 11170 1
53 . 1 1 12 12 PRO HD2 H 1 3.636 0.030 . 1 . . . . 12 PRO HD2 . 11170 1
54 . 1 1 12 12 PRO HD3 H 1 3.636 0.030 . 1 . . . . 12 PRO HD3 . 11170 1
55 . 1 1 12 12 PRO HG2 H 1 1.822 0.030 . 2 . . . . 12 PRO HG2 . 11170 1
56 . 1 1 12 12 PRO HG3 H 1 1.618 0.030 . 2 . . . . 12 PRO HG3 . 11170 1
57 . 1 1 12 12 PRO C C 13 176.496 0.300 . 1 . . . . 12 PRO C . 11170 1
58 . 1 1 12 12 PRO CA C 13 63.513 0.300 . 1 . . . . 12 PRO CA . 11170 1
59 . 1 1 12 12 PRO CB C 13 32.218 0.300 . 1 . . . . 12 PRO CB . 11170 1
60 . 1 1 12 12 PRO CD C 13 50.434 0.300 . 1 . . . . 12 PRO CD . 11170 1
61 . 1 1 12 12 PRO CG C 13 26.694 0.300 . 1 . . . . 12 PRO CG . 11170 1
62 . 1 1 13 13 TYR H H 1 7.789 0.030 . 1 . . . . 13 TYR H . 11170 1
63 . 1 1 13 13 TYR HA H 1 4.684 0.030 . 1 . . . . 13 TYR HA . 11170 1
64 . 1 1 13 13 TYR HB2 H 1 2.770 0.030 . 2 . . . . 13 TYR HB2 . 11170 1
65 . 1 1 13 13 TYR HB3 H 1 2.962 0.030 . 2 . . . . 13 TYR HB3 . 11170 1
66 . 1 1 13 13 TYR HD1 H 1 6.969 0.030 . 1 . . . . 13 TYR HD1 . 11170 1
67 . 1 1 13 13 TYR HD2 H 1 6.969 0.030 . 1 . . . . 13 TYR HD2 . 11170 1
68 . 1 1 13 13 TYR HE1 H 1 6.875 0.030 . 1 . . . . 13 TYR HE1 . 11170 1
69 . 1 1 13 13 TYR HE2 H 1 6.875 0.030 . 1 . . . . 13 TYR HE2 . 11170 1
70 . 1 1 13 13 TYR C C 13 174.549 0.300 . 1 . . . . 13 TYR C . 11170 1
71 . 1 1 13 13 TYR CA C 13 57.319 0.300 . 1 . . . . 13 TYR CA . 11170 1
72 . 1 1 13 13 TYR CB C 13 38.774 0.300 . 1 . . . . 13 TYR CB . 11170 1
73 . 1 1 13 13 TYR CD1 C 13 133.035 0.300 . 1 . . . . 13 TYR CD1 . 11170 1
74 . 1 1 13 13 TYR CD2 C 13 133.035 0.300 . 1 . . . . 13 TYR CD2 . 11170 1
75 . 1 1 13 13 TYR CE1 C 13 118.346 0.300 . 1 . . . . 13 TYR CE1 . 11170 1
76 . 1 1 13 13 TYR CE2 C 13 118.346 0.300 . 1 . . . . 13 TYR CE2 . 11170 1
77 . 1 1 13 13 TYR N N 15 118.177 0.300 . 1 . . . . 13 TYR N . 11170 1
78 . 1 1 14 14 ARG H H 1 8.647 0.030 . 1 . . . . 14 ARG H . 11170 1
79 . 1 1 14 14 ARG HA H 1 5.061 0.030 . 1 . . . . 14 ARG HA . 11170 1
80 . 1 1 14 14 ARG HB2 H 1 1.605 0.030 . 1 . . . . 14 ARG HB2 . 11170 1
81 . 1 1 14 14 ARG HB3 H 1 1.605 0.030 . 1 . . . . 14 ARG HB3 . 11170 1
82 . 1 1 14 14 ARG HD2 H 1 3.133 0.030 . 2 . . . . 14 ARG HD2 . 11170 1
83 . 1 1 14 14 ARG HD3 H 1 3.100 0.030 . 2 . . . . 14 ARG HD3 . 11170 1
84 . 1 1 14 14 ARG HG2 H 1 1.380 0.030 . 2 . . . . 14 ARG HG2 . 11170 1
85 . 1 1 14 14 ARG HG3 H 1 1.320 0.030 . 2 . . . . 14 ARG HG3 . 11170 1
86 . 1 1 14 14 ARG C C 13 175.118 0.300 . 1 . . . . 14 ARG C . 11170 1
87 . 1 1 14 14 ARG CA C 13 54.766 0.300 . 1 . . . . 14 ARG CA . 11170 1
88 . 1 1 14 14 ARG CB C 13 33.181 0.300 . 1 . . . . 14 ARG CB . 11170 1
89 . 1 1 14 14 ARG CD C 13 43.327 0.300 . 1 . . . . 14 ARG CD . 11170 1
90 . 1 1 14 14 ARG CG C 13 27.548 0.300 . 1 . . . . 14 ARG CG . 11170 1
91 . 1 1 14 14 ARG N N 15 123.799 0.300 . 1 . . . . 14 ARG N . 11170 1
92 . 1 1 15 15 CYS H H 1 9.243 0.030 . 1 . . . . 15 CYS H . 11170 1
93 . 1 1 15 15 CYS HA H 1 4.500 0.030 . 1 . . . . 15 CYS HA . 11170 1
94 . 1 1 15 15 CYS HB2 H 1 3.413 0.030 . 2 . . . . 15 CYS HB2 . 11170 1
95 . 1 1 15 15 CYS HB3 H 1 2.894 0.030 . 2 . . . . 15 CYS HB3 . 11170 1
96 . 1 1 15 15 CYS C C 13 176.984 0.300 . 1 . . . . 15 CYS C . 11170 1
97 . 1 1 15 15 CYS CA C 13 59.540 0.300 . 1 . . . . 15 CYS CA . 11170 1
98 . 1 1 15 15 CYS CB C 13 29.702 0.300 . 1 . . . . 15 CYS CB . 11170 1
99 . 1 1 15 15 CYS N N 15 127.280 0.300 . 1 . . . . 15 CYS N . 11170 1
100 . 1 1 16 16 ALA H H 1 9.379 0.030 . 1 . . . . 16 ALA H . 11170 1
101 . 1 1 16 16 ALA HA H 1 4.172 0.030 . 1 . . . . 16 ALA HA . 11170 1
102 . 1 1 16 16 ALA HB1 H 1 1.529 0.030 . 1 . . . . 16 ALA HB . 11170 1
103 . 1 1 16 16 ALA HB2 H 1 1.529 0.030 . 1 . . . . 16 ALA HB . 11170 1
104 . 1 1 16 16 ALA HB3 H 1 1.529 0.030 . 1 . . . . 16 ALA HB . 11170 1
105 . 1 1 16 16 ALA C C 13 178.164 0.300 . 1 . . . . 16 ALA C . 11170 1
106 . 1 1 16 16 ALA CA C 13 54.597 0.300 . 1 . . . . 16 ALA CA . 11170 1
107 . 1 1 16 16 ALA CB C 13 18.876 0.300 . 1 . . . . 16 ALA CB . 11170 1
108 . 1 1 16 16 ALA N N 15 134.948 0.300 . 1 . . . . 16 ALA N . 11170 1
109 . 1 1 17 17 GLU H H 1 8.577 0.030 . 1 . . . . 17 GLU H . 11170 1
110 . 1 1 17 17 GLU HA H 1 4.173 0.030 . 1 . . . . 17 GLU HA . 11170 1
111 . 1 1 17 17 GLU HB2 H 1 1.396 0.030 . 2 . . . . 17 GLU HB2 . 11170 1
112 . 1 1 17 17 GLU HB3 H 1 1.327 0.030 . 2 . . . . 17 GLU HB3 . 11170 1
113 . 1 1 17 17 GLU HG2 H 1 1.882 0.030 . 2 . . . . 17 GLU HG2 . 11170 1
114 . 1 1 17 17 GLU HG3 H 1 1.763 0.030 . 2 . . . . 17 GLU HG3 . 11170 1
115 . 1 1 17 17 GLU C C 13 177.252 0.300 . 1 . . . . 17 GLU C . 11170 1
116 . 1 1 17 17 GLU CA C 13 58.326 0.300 . 1 . . . . 17 GLU CA . 11170 1
117 . 1 1 17 17 GLU CB C 13 29.491 0.300 . 1 . . . . 17 GLU CB . 11170 1
118 . 1 1 17 17 GLU CG C 13 35.589 0.300 . 1 . . . . 17 GLU CG . 11170 1
119 . 1 1 17 17 GLU N N 15 118.449 0.300 . 1 . . . . 17 GLU N . 11170 1
120 . 1 1 18 18 CYS H H 1 7.911 0.030 . 1 . . . . 18 CYS H . 11170 1
121 . 1 1 18 18 CYS HA H 1 5.175 0.030 . 1 . . . . 18 CYS HA . 11170 1
122 . 1 1 18 18 CYS HB2 H 1 3.441 0.030 . 2 . . . . 18 CYS HB2 . 11170 1
123 . 1 1 18 18 CYS HB3 H 1 2.836 0.030 . 2 . . . . 18 CYS HB3 . 11170 1
124 . 1 1 18 18 CYS C C 13 176.350 0.300 . 1 . . . . 18 CYS C . 11170 1
125 . 1 1 18 18 CYS CA C 13 58.311 0.300 . 1 . . . . 18 CYS CA . 11170 1
126 . 1 1 18 18 CYS CB C 13 32.525 0.300 . 1 . . . . 18 CYS CB . 11170 1
127 . 1 1 18 18 CYS N N 15 114.463 0.300 . 1 . . . . 18 CYS N . 11170 1
128 . 1 1 19 19 GLY H H 1 8.235 0.030 . 1 . . . . 19 GLY H . 11170 1
129 . 1 1 19 19 GLY HA2 H 1 3.777 0.030 . 2 . . . . 19 GLY HA2 . 11170 1
130 . 1 1 19 19 GLY HA3 H 1 4.252 0.030 . 2 . . . . 19 GLY HA3 . 11170 1
131 . 1 1 19 19 GLY C C 13 173.685 0.300 . 1 . . . . 19 GLY C . 11170 1
132 . 1 1 19 19 GLY CA C 13 46.160 0.300 . 1 . . . . 19 GLY CA . 11170 1
133 . 1 1 19 19 GLY N N 15 113.718 0.300 . 1 . . . . 19 GLY N . 11170 1
134 . 1 1 20 20 LYS H H 1 8.008 0.030 . 1 . . . . 20 LYS H . 11170 1
135 . 1 1 20 20 LYS HA H 1 3.940 0.030 . 1 . . . . 20 LYS HA . 11170 1
136 . 1 1 20 20 LYS HB2 H 1 1.215 0.030 . 2 . . . . 20 LYS HB2 . 11170 1
137 . 1 1 20 20 LYS HB3 H 1 1.475 0.030 . 2 . . . . 20 LYS HB3 . 11170 1
138 . 1 1 20 20 LYS HD2 H 1 1.514 0.030 . 2 . . . . 20 LYS HD2 . 11170 1
139 . 1 1 20 20 LYS HD3 H 1 1.405 0.030 . 2 . . . . 20 LYS HD3 . 11170 1
140 . 1 1 20 20 LYS HE2 H 1 2.964 0.030 . 2 . . . . 20 LYS HE2 . 11170 1
141 . 1 1 20 20 LYS HE3 H 1 2.890 0.030 . 2 . . . . 20 LYS HE3 . 11170 1
142 . 1 1 20 20 LYS HG2 H 1 1.389 0.030 . 2 . . . . 20 LYS HG2 . 11170 1
143 . 1 1 20 20 LYS HG3 H 1 1.033 0.030 . 2 . . . . 20 LYS HG3 . 11170 1
144 . 1 1 20 20 LYS C C 13 173.761 0.300 . 1 . . . . 20 LYS C . 11170 1
145 . 1 1 20 20 LYS CA C 13 58.350 0.300 . 1 . . . . 20 LYS CA . 11170 1
146 . 1 1 20 20 LYS CB C 13 33.612 0.300 . 1 . . . . 20 LYS CB . 11170 1
147 . 1 1 20 20 LYS CD C 13 29.382 0.300 . 1 . . . . 20 LYS CD . 11170 1
148 . 1 1 20 20 LYS CE C 13 42.187 0.300 . 1 . . . . 20 LYS CE . 11170 1
149 . 1 1 20 20 LYS CG C 13 26.128 0.300 . 1 . . . . 20 LYS CG . 11170 1
150 . 1 1 20 20 LYS N N 15 123.490 0.300 . 1 . . . . 20 LYS N . 11170 1
151 . 1 1 21 21 ALA H H 1 7.871 0.030 . 1 . . . . 21 ALA H . 11170 1
152 . 1 1 21 21 ALA HA H 1 5.131 0.030 . 1 . . . . 21 ALA HA . 11170 1
153 . 1 1 21 21 ALA HB1 H 1 1.202 0.030 . 1 . . . . 21 ALA HB . 11170 1
154 . 1 1 21 21 ALA HB2 H 1 1.202 0.030 . 1 . . . . 21 ALA HB . 11170 1
155 . 1 1 21 21 ALA HB3 H 1 1.202 0.030 . 1 . . . . 21 ALA HB . 11170 1
156 . 1 1 21 21 ALA C C 13 176.184 0.300 . 1 . . . . 21 ALA C . 11170 1
157 . 1 1 21 21 ALA CA C 13 50.516 0.300 . 1 . . . . 21 ALA CA . 11170 1
158 . 1 1 21 21 ALA CB C 13 22.126 0.300 . 1 . . . . 21 ALA CB . 11170 1
159 . 1 1 21 21 ALA N N 15 124.524 0.300 . 1 . . . . 21 ALA N . 11170 1
160 . 1 1 22 22 PHE H H 1 8.726 0.030 . 1 . . . . 22 PHE H . 11170 1
161 . 1 1 22 22 PHE HA H 1 4.731 0.030 . 1 . . . . 22 PHE HA . 11170 1
162 . 1 1 22 22 PHE HB2 H 1 3.393 0.030 . 2 . . . . 22 PHE HB2 . 11170 1
163 . 1 1 22 22 PHE HB3 H 1 2.638 0.030 . 2 . . . . 22 PHE HB3 . 11170 1
164 . 1 1 22 22 PHE HD1 H 1 7.239 0.030 . 1 . . . . 22 PHE HD1 . 11170 1
165 . 1 1 22 22 PHE HD2 H 1 7.239 0.030 . 1 . . . . 22 PHE HD2 . 11170 1
166 . 1 1 22 22 PHE HE1 H 1 6.843 0.030 . 1 . . . . 22 PHE HE1 . 11170 1
167 . 1 1 22 22 PHE HE2 H 1 6.843 0.030 . 1 . . . . 22 PHE HE2 . 11170 1
168 . 1 1 22 22 PHE HZ H 1 6.258 0.030 . 1 . . . . 22 PHE HZ . 11170 1
169 . 1 1 22 22 PHE C C 13 175.397 0.300 . 1 . . . . 22 PHE C . 11170 1
170 . 1 1 22 22 PHE CA C 13 57.441 0.300 . 1 . . . . 22 PHE CA . 11170 1
171 . 1 1 22 22 PHE CB C 13 43.835 0.300 . 1 . . . . 22 PHE CB . 11170 1
172 . 1 1 22 22 PHE CD1 C 13 132.314 0.300 . 1 . . . . 22 PHE CD1 . 11170 1
173 . 1 1 22 22 PHE CD2 C 13 132.314 0.300 . 1 . . . . 22 PHE CD2 . 11170 1
174 . 1 1 22 22 PHE CE1 C 13 130.728 0.300 . 1 . . . . 22 PHE CE1 . 11170 1
175 . 1 1 22 22 PHE CE2 C 13 130.728 0.300 . 1 . . . . 22 PHE CE2 . 11170 1
176 . 1 1 22 22 PHE CZ C 13 128.811 0.300 . 1 . . . . 22 PHE CZ . 11170 1
177 . 1 1 22 22 PHE N N 15 116.786 0.300 . 1 . . . . 22 PHE N . 11170 1
178 . 1 1 23 23 THR H H 1 8.953 0.030 . 1 . . . . 23 THR H . 11170 1
179 . 1 1 23 23 THR HA H 1 4.410 0.030 . 1 . . . . 23 THR HA . 11170 1
180 . 1 1 23 23 THR HB H 1 4.403 0.030 . 1 . . . . 23 THR HB . 11170 1
181 . 1 1 23 23 THR HG21 H 1 1.351 0.030 . 1 . . . . 23 THR HG2 . 11170 1
182 . 1 1 23 23 THR HG22 H 1 1.351 0.030 . 1 . . . . 23 THR HG2 . 11170 1
183 . 1 1 23 23 THR HG23 H 1 1.351 0.030 . 1 . . . . 23 THR HG2 . 11170 1
184 . 1 1 23 23 THR C C 13 173.894 0.300 . 1 . . . . 23 THR C . 11170 1
185 . 1 1 23 23 THR CA C 13 64.093 0.300 . 1 . . . . 23 THR CA . 11170 1
186 . 1 1 23 23 THR CB C 13 69.539 0.300 . 1 . . . . 23 THR CB . 11170 1
187 . 1 1 23 23 THR CG2 C 13 22.449 0.300 . 1 . . . . 23 THR CG2 . 11170 1
188 . 1 1 23 23 THR N N 15 113.251 0.300 . 1 . . . . 23 THR N . 11170 1
189 . 1 1 24 24 ASP H H 1 7.651 0.030 . 1 . . . . 24 ASP H . 11170 1
190 . 1 1 24 24 ASP HA H 1 4.873 0.030 . 1 . . . . 24 ASP HA . 11170 1
191 . 1 1 24 24 ASP HB2 H 1 2.802 0.030 . 2 . . . . 24 ASP HB2 . 11170 1
192 . 1 1 24 24 ASP HB3 H 1 2.719 0.030 . 2 . . . . 24 ASP HB3 . 11170 1
193 . 1 1 24 24 ASP C C 13 175.341 0.300 . 1 . . . . 24 ASP C . 11170 1
194 . 1 1 24 24 ASP CA C 13 52.705 0.300 . 1 . . . . 24 ASP CA . 11170 1
195 . 1 1 24 24 ASP CB C 13 43.827 0.300 . 1 . . . . 24 ASP CB . 11170 1
196 . 1 1 24 24 ASP N N 15 118.355 0.300 . 1 . . . . 24 ASP N . 11170 1
197 . 1 1 25 25 ARG H H 1 8.411 0.030 . 1 . . . . 25 ARG H . 11170 1
198 . 1 1 25 25 ARG HA H 1 3.065 0.030 . 1 . . . . 25 ARG HA . 11170 1
199 . 1 1 25 25 ARG HB2 H 1 1.303 0.030 . 2 . . . . 25 ARG HB2 . 11170 1
200 . 1 1 25 25 ARG HB3 H 1 1.126 0.030 . 2 . . . . 25 ARG HB3 . 11170 1
201 . 1 1 25 25 ARG HD2 H 1 2.999 0.030 . 1 . . . . 25 ARG HD2 . 11170 1
202 . 1 1 25 25 ARG HD3 H 1 2.999 0.030 . 1 . . . . 25 ARG HD3 . 11170 1
203 . 1 1 25 25 ARG HG2 H 1 0.996 0.030 . 1 . . . . 25 ARG HG2 . 11170 1
204 . 1 1 25 25 ARG HG3 H 1 0.996 0.030 . 1 . . . . 25 ARG HG3 . 11170 1
205 . 1 1 25 25 ARG C C 13 177.679 0.300 . 1 . . . . 25 ARG C . 11170 1
206 . 1 1 25 25 ARG CA C 13 59.130 0.300 . 1 . . . . 25 ARG CA . 11170 1
207 . 1 1 25 25 ARG CB C 13 29.733 0.300 . 1 . . . . 25 ARG CB . 11170 1
208 . 1 1 25 25 ARG CD C 13 43.391 0.300 . 1 . . . . 25 ARG CD . 11170 1
209 . 1 1 25 25 ARG CG C 13 27.337 0.300 . 1 . . . . 25 ARG CG . 11170 1
210 . 1 1 25 25 ARG N N 15 124.068 0.300 . 1 . . . . 25 ARG N . 11170 1
211 . 1 1 26 26 SER H H 1 8.381 0.030 . 1 . . . . 26 SER H . 11170 1
212 . 1 1 26 26 SER HA H 1 4.104 0.030 . 1 . . . . 26 SER HA . 11170 1
213 . 1 1 26 26 SER HB2 H 1 3.867 0.030 . 1 . . . . 26 SER HB2 . 11170 1
214 . 1 1 26 26 SER HB3 H 1 3.867 0.030 . 1 . . . . 26 SER HB3 . 11170 1
215 . 1 1 26 26 SER C C 13 177.035 0.300 . 1 . . . . 26 SER C . 11170 1
216 . 1 1 26 26 SER CA C 13 61.628 0.300 . 1 . . . . 26 SER CA . 11170 1
217 . 1 1 26 26 SER CB C 13 62.054 0.300 . 1 . . . . 26 SER CB . 11170 1
218 . 1 1 26 26 SER N N 15 115.341 0.300 . 1 . . . . 26 SER N . 11170 1
219 . 1 1 27 27 ASN H H 1 7.981 0.030 . 1 . . . . 27 ASN H . 11170 1
220 . 1 1 27 27 ASN HA H 1 4.447 0.030 . 1 . . . . 27 ASN HA . 11170 1
221 . 1 1 27 27 ASN HB2 H 1 2.772 0.030 . 2 . . . . 27 ASN HB2 . 11170 1
222 . 1 1 27 27 ASN HB3 H 1 2.951 0.030 . 2 . . . . 27 ASN HB3 . 11170 1
223 . 1 1 27 27 ASN HD21 H 1 7.141 0.030 . 2 . . . . 27 ASN HD21 . 11170 1
224 . 1 1 27 27 ASN HD22 H 1 8.253 0.030 . 2 . . . . 27 ASN HD22 . 11170 1
225 . 1 1 27 27 ASN C C 13 177.718 0.300 . 1 . . . . 27 ASN C . 11170 1
226 . 1 1 27 27 ASN CA C 13 55.606 0.300 . 1 . . . . 27 ASN CA . 11170 1
227 . 1 1 27 27 ASN CB C 13 38.410 0.300 . 1 . . . . 27 ASN CB . 11170 1
228 . 1 1 27 27 ASN N N 15 120.177 0.300 . 1 . . . . 27 ASN N . 11170 1
229 . 1 1 27 27 ASN ND2 N 15 114.455 0.300 . 1 . . . . 27 ASN ND2 . 11170 1
230 . 1 1 28 28 LEU H H 1 7.012 0.030 . 1 . . . . 28 LEU H . 11170 1
231 . 1 1 28 28 LEU HA H 1 3.134 0.030 . 1 . . . . 28 LEU HA . 11170 1
232 . 1 1 28 28 LEU HB2 H 1 1.128 0.030 . 2 . . . . 28 LEU HB2 . 11170 1
233 . 1 1 28 28 LEU HB3 H 1 1.873 0.030 . 2 . . . . 28 LEU HB3 . 11170 1
234 . 1 1 28 28 LEU HD11 H 1 0.956 0.030 . 1 . . . . 28 LEU HD1 . 11170 1
235 . 1 1 28 28 LEU HD12 H 1 0.956 0.030 . 1 . . . . 28 LEU HD1 . 11170 1
236 . 1 1 28 28 LEU HD13 H 1 0.956 0.030 . 1 . . . . 28 LEU HD1 . 11170 1
237 . 1 1 28 28 LEU HD21 H 1 0.945 0.030 . 1 . . . . 28 LEU HD2 . 11170 1
238 . 1 1 28 28 LEU HD22 H 1 0.945 0.030 . 1 . . . . 28 LEU HD2 . 11170 1
239 . 1 1 28 28 LEU HD23 H 1 0.945 0.030 . 1 . . . . 28 LEU HD2 . 11170 1
240 . 1 1 28 28 LEU HG H 1 1.446 0.030 . 1 . . . . 28 LEU HG . 11170 1
241 . 1 1 28 28 LEU C C 13 177.267 0.300 . 1 . . . . 28 LEU C . 11170 1
242 . 1 1 28 28 LEU CA C 13 58.104 0.300 . 1 . . . . 28 LEU CA . 11170 1
243 . 1 1 28 28 LEU CB C 13 40.218 0.300 . 1 . . . . 28 LEU CB . 11170 1
244 . 1 1 28 28 LEU CD1 C 13 22.870 0.300 . 2 . . . . 28 LEU CD1 . 11170 1
245 . 1 1 28 28 LEU CD2 C 13 26.459 0.300 . 2 . . . . 28 LEU CD2 . 11170 1
246 . 1 1 28 28 LEU CG C 13 27.493 0.300 . 1 . . . . 28 LEU CG . 11170 1
247 . 1 1 28 28 LEU N N 15 122.074 0.300 . 1 . . . . 28 LEU N . 11170 1
248 . 1 1 29 29 PHE H H 1 8.163 0.030 . 1 . . . . 29 PHE H . 11170 1
249 . 1 1 29 29 PHE HA H 1 4.417 0.030 . 1 . . . . 29 PHE HA . 11170 1
250 . 1 1 29 29 PHE HB2 H 1 3.198 0.030 . 1 . . . . 29 PHE HB2 . 11170 1
251 . 1 1 29 29 PHE HB3 H 1 3.198 0.030 . 1 . . . . 29 PHE HB3 . 11170 1
252 . 1 1 29 29 PHE HD1 H 1 7.231 0.030 . 1 . . . . 29 PHE HD1 . 11170 1
253 . 1 1 29 29 PHE HD2 H 1 7.231 0.030 . 1 . . . . 29 PHE HD2 . 11170 1
254 . 1 1 29 29 PHE HE1 H 1 7.306 0.030 . 1 . . . . 29 PHE HE1 . 11170 1
255 . 1 1 29 29 PHE HE2 H 1 7.306 0.030 . 1 . . . . 29 PHE HE2 . 11170 1
256 . 1 1 29 29 PHE HZ H 1 7.247 0.030 . 1 . . . . 29 PHE HZ . 11170 1
257 . 1 1 29 29 PHE C C 13 179.035 0.300 . 1 . . . . 29 PHE C . 11170 1
258 . 1 1 29 29 PHE CA C 13 60.033 0.300 . 1 . . . . 29 PHE CA . 11170 1
259 . 1 1 29 29 PHE CB C 13 37.754 0.300 . 1 . . . . 29 PHE CB . 11170 1
260 . 1 1 29 29 PHE CD1 C 13 131.205 0.300 . 1 . . . . 29 PHE CD1 . 11170 1
261 . 1 1 29 29 PHE CD2 C 13 131.205 0.300 . 1 . . . . 29 PHE CD2 . 11170 1
262 . 1 1 29 29 PHE CE1 C 13 131.217 0.300 . 1 . . . . 29 PHE CE1 . 11170 1
263 . 1 1 29 29 PHE CE2 C 13 131.217 0.300 . 1 . . . . 29 PHE CE2 . 11170 1
264 . 1 1 29 29 PHE CZ C 13 129.517 0.300 . 1 . . . . 29 PHE CZ . 11170 1
265 . 1 1 29 29 PHE N N 15 119.402 0.300 . 1 . . . . 29 PHE N . 11170 1
266 . 1 1 30 30 THR H H 1 8.114 0.030 . 1 . . . . 30 THR H . 11170 1
267 . 1 1 30 30 THR HA H 1 3.790 0.030 . 1 . . . . 30 THR HA . 11170 1
268 . 1 1 30 30 THR HB H 1 4.124 0.030 . 1 . . . . 30 THR HB . 11170 1
269 . 1 1 30 30 THR HG21 H 1 1.245 0.030 . 1 . . . . 30 THR HG2 . 11170 1
270 . 1 1 30 30 THR HG22 H 1 1.245 0.030 . 1 . . . . 30 THR HG2 . 11170 1
271 . 1 1 30 30 THR HG23 H 1 1.245 0.030 . 1 . . . . 30 THR HG2 . 11170 1
272 . 1 1 30 30 THR C C 13 176.602 0.300 . 1 . . . . 30 THR C . 11170 1
273 . 1 1 30 30 THR CA C 13 66.462 0.300 . 1 . . . . 30 THR CA . 11170 1
274 . 1 1 30 30 THR CB C 13 68.672 0.300 . 1 . . . . 30 THR CB . 11170 1
275 . 1 1 30 30 THR CG2 C 13 22.339 0.300 . 1 . . . . 30 THR CG2 . 11170 1
276 . 1 1 30 30 THR N N 15 115.549 0.300 . 1 . . . . 30 THR N . 11170 1
277 . 1 1 31 31 HIS H H 1 7.617 0.030 . 1 . . . . 31 HIS H . 11170 1
278 . 1 1 31 31 HIS HA H 1 4.178 0.030 . 1 . . . . 31 HIS HA . 11170 1
279 . 1 1 31 31 HIS HB2 H 1 2.942 0.030 . 2 . . . . 31 HIS HB2 . 11170 1
280 . 1 1 31 31 HIS HB3 H 1 3.154 0.030 . 2 . . . . 31 HIS HB3 . 11170 1
281 . 1 1 31 31 HIS HD2 H 1 6.916 0.030 . 1 . . . . 31 HIS HD2 . 11170 1
282 . 1 1 31 31 HIS HE1 H 1 8.035 0.030 . 1 . . . . 31 HIS HE1 . 11170 1
283 . 1 1 31 31 HIS C C 13 176.108 0.300 . 1 . . . . 31 HIS C . 11170 1
284 . 1 1 31 31 HIS CA C 13 59.362 0.300 . 1 . . . . 31 HIS CA . 11170 1
285 . 1 1 31 31 HIS CB C 13 28.445 0.300 . 1 . . . . 31 HIS CB . 11170 1
286 . 1 1 31 31 HIS CD2 C 13 127.304 0.300 . 1 . . . . 31 HIS CD2 . 11170 1
287 . 1 1 31 31 HIS CE1 C 13 139.620 0.300 . 1 . . . . 31 HIS CE1 . 11170 1
288 . 1 1 31 31 HIS N N 15 121.675 0.300 . 1 . . . . 31 HIS N . 11170 1
289 . 1 1 32 32 GLN H H 1 8.333 0.030 . 1 . . . . 32 GLN H . 11170 1
290 . 1 1 32 32 GLN HA H 1 3.650 0.030 . 1 . . . . 32 GLN HA . 11170 1
291 . 1 1 32 32 GLN HB2 H 1 2.287 0.030 . 2 . . . . 32 GLN HB2 . 11170 1
292 . 1 1 32 32 GLN HB3 H 1 2.191 0.030 . 2 . . . . 32 GLN HB3 . 11170 1
293 . 1 1 32 32 GLN HE21 H 1 7.579 0.030 . 2 . . . . 32 GLN HE21 . 11170 1
294 . 1 1 32 32 GLN HE22 H 1 6.942 0.030 . 2 . . . . 32 GLN HE22 . 11170 1
295 . 1 1 32 32 GLN HG2 H 1 2.842 0.030 . 1 . . . . 32 GLN HG2 . 11170 1
296 . 1 1 32 32 GLN HG3 H 1 2.842 0.030 . 1 . . . . 32 GLN HG3 . 11170 1
297 . 1 1 32 32 GLN C C 13 177.408 0.300 . 1 . . . . 32 GLN C . 11170 1
298 . 1 1 32 32 GLN CA C 13 59.359 0.300 . 1 . . . . 32 GLN CA . 11170 1
299 . 1 1 32 32 GLN CB C 13 28.248 0.300 . 1 . . . . 32 GLN CB . 11170 1
300 . 1 1 32 32 GLN CG C 13 35.473 0.300 . 1 . . . . 32 GLN CG . 11170 1
301 . 1 1 32 32 GLN N N 15 115.070 0.300 . 1 . . . . 32 GLN N . 11170 1
302 . 1 1 32 32 GLN NE2 N 15 111.959 0.300 . 1 . . . . 32 GLN NE2 . 11170 1
303 . 1 1 33 33 LYS H H 1 7.051 0.030 . 1 . . . . 33 LYS H . 11170 1
304 . 1 1 33 33 LYS HA H 1 4.047 0.030 . 1 . . . . 33 LYS HA . 11170 1
305 . 1 1 33 33 LYS HB2 H 1 1.804 0.030 . 2 . . . . 33 LYS HB2 . 11170 1
306 . 1 1 33 33 LYS HB3 H 1 1.768 0.030 . 2 . . . . 33 LYS HB3 . 11170 1
307 . 1 1 33 33 LYS HD2 H 1 1.637 0.030 . 1 . . . . 33 LYS HD2 . 11170 1
308 . 1 1 33 33 LYS HD3 H 1 1.637 0.030 . 1 . . . . 33 LYS HD3 . 11170 1
309 . 1 1 33 33 LYS HE2 H 1 2.848 0.030 . 2 . . . . 33 LYS HE2 . 11170 1
310 . 1 1 33 33 LYS HE3 H 1 2.908 0.030 . 2 . . . . 33 LYS HE3 . 11170 1
311 . 1 1 33 33 LYS HG2 H 1 1.380 0.030 . 2 . . . . 33 LYS HG2 . 11170 1
312 . 1 1 33 33 LYS HG3 H 1 1.555 0.030 . 2 . . . . 33 LYS HG3 . 11170 1
313 . 1 1 33 33 LYS C C 13 178.752 0.300 . 1 . . . . 33 LYS C . 11170 1
314 . 1 1 33 33 LYS CA C 13 58.459 0.300 . 1 . . . . 33 LYS CA . 11170 1
315 . 1 1 33 33 LYS CB C 13 32.229 0.300 . 1 . . . . 33 LYS CB . 11170 1
316 . 1 1 33 33 LYS CD C 13 29.138 0.300 . 1 . . . . 33 LYS CD . 11170 1
317 . 1 1 33 33 LYS CE C 13 42.126 0.300 . 1 . . . . 33 LYS CE . 11170 1
318 . 1 1 33 33 LYS CG C 13 25.190 0.300 . 1 . . . . 33 LYS CG . 11170 1
319 . 1 1 33 33 LYS N N 15 117.558 0.300 . 1 . . . . 33 LYS N . 11170 1
320 . 1 1 34 34 ILE H H 1 7.815 0.030 . 1 . . . . 34 ILE H . 11170 1
321 . 1 1 34 34 ILE HA H 1 3.963 0.030 . 1 . . . . 34 ILE HA . 11170 1
322 . 1 1 34 34 ILE HB H 1 1.669 0.030 . 1 . . . . 34 ILE HB . 11170 1
323 . 1 1 34 34 ILE HD11 H 1 0.696 0.030 . 1 . . . . 34 ILE HD1 . 11170 1
324 . 1 1 34 34 ILE HD12 H 1 0.696 0.030 . 1 . . . . 34 ILE HD1 . 11170 1
325 . 1 1 34 34 ILE HD13 H 1 0.696 0.030 . 1 . . . . 34 ILE HD1 . 11170 1
326 . 1 1 34 34 ILE HG12 H 1 0.743 0.030 . 2 . . . . 34 ILE HG12 . 11170 1
327 . 1 1 34 34 ILE HG13 H 1 0.918 0.030 . 2 . . . . 34 ILE HG13 . 11170 1
328 . 1 1 34 34 ILE HG21 H 1 0.571 0.030 . 1 . . . . 34 ILE HG2 . 11170 1
329 . 1 1 34 34 ILE HG22 H 1 0.571 0.030 . 1 . . . . 34 ILE HG2 . 11170 1
330 . 1 1 34 34 ILE HG23 H 1 0.571 0.030 . 1 . . . . 34 ILE HG2 . 11170 1
331 . 1 1 34 34 ILE C C 13 177.414 0.300 . 1 . . . . 34 ILE C . 11170 1
332 . 1 1 34 34 ILE CA C 13 63.058 0.300 . 1 . . . . 34 ILE CA . 11170 1
333 . 1 1 34 34 ILE CB C 13 37.691 0.300 . 1 . . . . 34 ILE CB . 11170 1
334 . 1 1 34 34 ILE CD1 C 13 14.427 0.300 . 1 . . . . 34 ILE CD1 . 11170 1
335 . 1 1 34 34 ILE CG1 C 13 26.581 0.300 . 1 . . . . 34 ILE CG1 . 11170 1
336 . 1 1 34 34 ILE CG2 C 13 16.424 0.300 . 1 . . . . 34 ILE CG2 . 11170 1
337 . 1 1 34 34 ILE N N 15 116.254 0.300 . 1 . . . . 34 ILE N . 11170 1
338 . 1 1 35 35 HIS H H 1 7.168 0.030 . 1 . . . . 35 HIS H . 11170 1
339 . 1 1 35 35 HIS HA H 1 4.852 0.030 . 1 . . . . 35 HIS HA . 11170 1
340 . 1 1 35 35 HIS HB2 H 1 3.350 0.030 . 2 . . . . 35 HIS HB2 . 11170 1
341 . 1 1 35 35 HIS HB3 H 1 3.214 0.030 . 2 . . . . 35 HIS HB3 . 11170 1
342 . 1 1 35 35 HIS HD2 H 1 6.766 0.030 . 1 . . . . 35 HIS HD2 . 11170 1
343 . 1 1 35 35 HIS HE1 H 1 8.068 0.030 . 1 . . . . 35 HIS HE1 . 11170 1
344 . 1 1 35 35 HIS C C 13 175.722 0.300 . 1 . . . . 35 HIS C . 11170 1
345 . 1 1 35 35 HIS CA C 13 55.158 0.300 . 1 . . . . 35 HIS CA . 11170 1
346 . 1 1 35 35 HIS CB C 13 28.451 0.300 . 1 . . . . 35 HIS CB . 11170 1
347 . 1 1 35 35 HIS CD2 C 13 127.745 0.300 . 1 . . . . 35 HIS CD2 . 11170 1
348 . 1 1 35 35 HIS CE1 C 13 140.048 0.300 . 1 . . . . 35 HIS CE1 . 11170 1
349 . 1 1 35 35 HIS N N 15 117.658 0.300 . 1 . . . . 35 HIS N . 11170 1
350 . 1 1 36 36 THR H H 1 7.749 0.030 . 1 . . . . 36 THR H . 11170 1
351 . 1 1 36 36 THR HA H 1 4.344 0.030 . 1 . . . . 36 THR HA . 11170 1
352 . 1 1 36 36 THR HB H 1 4.312 0.030 . 1 . . . . 36 THR HB . 11170 1
353 . 1 1 36 36 THR HG21 H 1 1.227 0.030 . 1 . . . . 36 THR HG2 . 11170 1
354 . 1 1 36 36 THR HG22 H 1 1.227 0.030 . 1 . . . . 36 THR HG2 . 11170 1
355 . 1 1 36 36 THR HG23 H 1 1.227 0.030 . 1 . . . . 36 THR HG2 . 11170 1
356 . 1 1 36 36 THR C C 13 175.386 0.300 . 1 . . . . 36 THR C . 11170 1
357 . 1 1 36 36 THR CA C 13 62.498 0.300 . 1 . . . . 36 THR CA . 11170 1
358 . 1 1 36 36 THR CB C 13 69.820 0.300 . 1 . . . . 36 THR CB . 11170 1
359 . 1 1 36 36 THR CG2 C 13 21.610 0.300 . 1 . . . . 36 THR CG2 . 11170 1
360 . 1 1 36 36 THR N N 15 112.088 0.300 . 1 . . . . 36 THR N . 11170 1
361 . 1 1 37 37 GLY H H 1 8.235 0.030 . 1 . . . . 37 GLY H . 11170 1
362 . 1 1 37 37 GLY HA2 H 1 4.005 0.030 . 2 . . . . 37 GLY HA2 . 11170 1
363 . 1 1 37 37 GLY HA3 H 1 3.967 0.030 . 2 . . . . 37 GLY HA3 . 11170 1
364 . 1 1 37 37 GLY C C 13 174.007 0.300 . 1 . . . . 37 GLY C . 11170 1
365 . 1 1 37 37 GLY CA C 13 45.313 0.300 . 1 . . . . 37 GLY CA . 11170 1
366 . 1 1 37 37 GLY N N 15 110.725 0.300 . 1 . . . . 37 GLY N . 11170 1
367 . 1 1 38 38 GLU H H 1 8.108 0.030 . 1 . . . . 38 GLU H . 11170 1
368 . 1 1 38 38 GLU HA H 1 4.251 0.030 . 1 . . . . 38 GLU HA . 11170 1
369 . 1 1 38 38 GLU HB2 H 1 1.995 0.030 . 2 . . . . 38 GLU HB2 . 11170 1
370 . 1 1 38 38 GLU HB3 H 1 1.913 0.030 . 2 . . . . 38 GLU HB3 . 11170 1
371 . 1 1 38 38 GLU HG2 H 1 2.269 0.030 . 2 . . . . 38 GLU HG2 . 11170 1
372 . 1 1 38 38 GLU HG3 H 1 2.214 0.030 . 2 . . . . 38 GLU HG3 . 11170 1
373 . 1 1 38 38 GLU C C 13 176.244 0.300 . 1 . . . . 38 GLU C . 11170 1
374 . 1 1 38 38 GLU CA C 13 56.465 0.300 . 1 . . . . 38 GLU CA . 11170 1
375 . 1 1 38 38 GLU CB C 13 30.539 0.300 . 1 . . . . 38 GLU CB . 11170 1
376 . 1 1 38 38 GLU CG C 13 36.227 0.300 . 1 . . . . 38 GLU CG . 11170 1
377 . 1 1 38 38 GLU N N 15 120.554 0.300 . 1 . . . . 38 GLU N . 11170 1
378 . 1 1 39 39 LYS H H 1 8.382 0.030 . 1 . . . . 39 LYS H . 11170 1
379 . 1 1 39 39 LYS HA H 1 4.614 0.030 . 1 . . . . 39 LYS HA . 11170 1
380 . 1 1 39 39 LYS HB2 H 1 1.814 0.030 . 2 . . . . 39 LYS HB2 . 11170 1
381 . 1 1 39 39 LYS HB3 H 1 1.722 0.030 . 2 . . . . 39 LYS HB3 . 11170 1
382 . 1 1 39 39 LYS HD2 H 1 1.687 0.030 . 1 . . . . 39 LYS HD2 . 11170 1
383 . 1 1 39 39 LYS HD3 H 1 1.687 0.030 . 1 . . . . 39 LYS HD3 . 11170 1
384 . 1 1 39 39 LYS HE2 H 1 2.906 0.030 . 1 . . . . 39 LYS HE2 . 11170 1
385 . 1 1 39 39 LYS HE3 H 1 2.906 0.030 . 1 . . . . 39 LYS HE3 . 11170 1
386 . 1 1 39 39 LYS HG2 H 1 1.458 0.030 . 1 . . . . 39 LYS HG2 . 11170 1
387 . 1 1 39 39 LYS HG3 H 1 1.458 0.030 . 1 . . . . 39 LYS HG3 . 11170 1
388 . 1 1 39 39 LYS C C 13 174.444 0.300 . 1 . . . . 39 LYS C . 11170 1
389 . 1 1 39 39 LYS CA C 13 54.104 0.300 . 1 . . . . 39 LYS CA . 11170 1
390 . 1 1 39 39 LYS CB C 13 32.515 0.300 . 1 . . . . 39 LYS CB . 11170 1
391 . 1 1 39 39 LYS CD C 13 29.078 0.300 . 1 . . . . 39 LYS CD . 11170 1
392 . 1 1 39 39 LYS CE C 13 42.085 0.300 . 1 . . . . 39 LYS CE . 11170 1
393 . 1 1 39 39 LYS CG C 13 24.524 0.300 . 1 . . . . 39 LYS CG . 11170 1
394 . 1 1 39 39 LYS N N 15 123.768 0.300 . 1 . . . . 39 LYS N . 11170 1
395 . 1 1 40 40 PRO HA H 1 4.469 0.030 . 1 . . . . 40 PRO HA . 11170 1
396 . 1 1 40 40 PRO HB2 H 1 2.303 0.030 . 2 . . . . 40 PRO HB2 . 11170 1
397 . 1 1 40 40 PRO HB3 H 1 1.939 0.030 . 2 . . . . 40 PRO HB3 . 11170 1
398 . 1 1 40 40 PRO HD2 H 1 3.826 0.030 . 2 . . . . 40 PRO HD2 . 11170 1
399 . 1 1 40 40 PRO HD3 H 1 3.642 0.030 . 2 . . . . 40 PRO HD3 . 11170 1
400 . 1 1 40 40 PRO HG2 H 1 2.015 0.030 . 1 . . . . 40 PRO HG2 . 11170 1
401 . 1 1 40 40 PRO HG3 H 1 2.015 0.030 . 1 . . . . 40 PRO HG3 . 11170 1
402 . 1 1 40 40 PRO CA C 13 63.201 0.300 . 1 . . . . 40 PRO CA . 11170 1
403 . 1 1 40 40 PRO CB C 13 32.120 0.300 . 1 . . . . 40 PRO CB . 11170 1
404 . 1 1 40 40 PRO CD C 13 50.700 0.300 . 1 . . . . 40 PRO CD . 11170 1
405 . 1 1 40 40 PRO CG C 13 27.296 0.300 . 1 . . . . 40 PRO CG . 11170 1
406 . 1 1 41 41 SER H H 1 8.491 0.030 . 1 . . . . 41 SER H . 11170 1
407 . 1 1 41 41 SER HA H 1 4.467 0.030 . 1 . . . . 41 SER HA . 11170 1
408 . 1 1 41 41 SER HB2 H 1 3.894 0.030 . 1 . . . . 41 SER HB2 . 11170 1
409 . 1 1 41 41 SER HB3 H 1 3.894 0.030 . 1 . . . . 41 SER HB3 . 11170 1
410 . 1 1 41 41 SER CA C 13 58.519 0.300 . 1 . . . . 41 SER CA . 11170 1
411 . 1 1 41 41 SER CB C 13 64.123 0.300 . 1 . . . . 41 SER CB . 11170 1
412 . 1 1 41 41 SER N N 15 116.538 0.300 . 1 . . . . 41 SER N . 11170 1
413 . 1 1 42 42 GLY HA2 H 1 4.165 0.030 . 2 . . . . 42 GLY HA2 . 11170 1
414 . 1 1 42 42 GLY HA3 H 1 4.103 0.030 . 2 . . . . 42 GLY HA3 . 11170 1
415 . 1 1 42 42 GLY CA C 13 44.660 0.300 . 1 . . . . 42 GLY CA . 11170 1
416 . 1 1 43 43 PRO HA H 1 4.471 0.030 . 1 . . . . 43 PRO HA . 11170 1
417 . 1 1 43 43 PRO HB2 H 1 1.940 0.030 . 1 . . . . 43 PRO HB2 . 11170 1
418 . 1 1 43 43 PRO HB3 H 1 1.940 0.030 . 1 . . . . 43 PRO HB3 . 11170 1
419 . 1 1 43 43 PRO HD2 H 1 3.630 0.030 . 1 . . . . 43 PRO HD2 . 11170 1
420 . 1 1 43 43 PRO HD3 H 1 3.630 0.030 . 1 . . . . 43 PRO HD3 . 11170 1
421 . 1 1 43 43 PRO HG2 H 1 2.013 0.030 . 1 . . . . 43 PRO HG2 . 11170 1
422 . 1 1 43 43 PRO HG3 H 1 2.013 0.030 . 1 . . . . 43 PRO HG3 . 11170 1
423 . 1 1 43 43 PRO CA C 13 63.280 0.300 . 1 . . . . 43 PRO CA . 11170 1
424 . 1 1 43 43 PRO CB C 13 32.278 0.300 . 1 . . . . 43 PRO CB . 11170 1
425 . 1 1 43 43 PRO CD C 13 49.834 0.300 . 1 . . . . 43 PRO CD . 11170 1
426 . 1 1 43 43 PRO CG C 13 27.203 0.300 . 1 . . . . 43 PRO CG . 11170 1
stop_
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