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 51888
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name Khc_855-975
_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 0.02
_Assigned_chem_shift_list.Chem_shift_13C_err 0.3
_Assigned_chem_shift_list.Chem_shift_15N_err 0.3
_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' . . . 51888 1
2 '3D HNCA' . . . 51888 1
3 '3D CBCA(CO)NH' . . . 51888 1
4 '3D HNCACB' . . . 51888 1
5 '3D HN(CO)CA' . . . 51888 1
6 '3D HNCO' . . . 51888 1
7 '3D HN(CA)CO' . . . 51888 1
8 '2D 1H-13C HMQC' . . . 51888 1
9 '3D H(CCO)NH' . . . 51888 1
10 '3D C(CO)NH' . . . 51888 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 51888 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 84 84 GLY H H 1 8.293 0.020 . 1 . . . . . 937 GLY H . 51888 1
2 . 1 . 1 84 84 GLY CA C 13 44.185 0.3 . 1 . . . . . 937 GLY CA . 51888 1
3 . 1 . 1 84 84 GLY N N 15 110.074 0.3 . 1 . . . . . 937 GLY N . 51888 1
4 . 1 . 1 86 86 GLN H H 1 8.528 0.020 . 1 . . . . . 939 GLN H . 51888 1
5 . 1 . 1 86 86 GLN HA H 1 4.266 0.020 . 1 . . . . . 939 GLN HA . 51888 1
6 . 1 . 1 86 86 GLN HB2 H 1 1.999 0.020 . 1 . . . . . 939 GLN HB2 . 51888 1
7 . 1 . 1 86 86 GLN HB3 H 1 1.999 0.020 . 1 . . . . . 939 GLN HB3 . 51888 1
8 . 1 . 1 86 86 GLN HG2 H 1 2.388 0.020 . 1 . . . . . 939 GLN HG2 . 51888 1
9 . 1 . 1 86 86 GLN HG3 H 1 2.388 0.020 . 1 . . . . . 939 GLN HG3 . 51888 1
10 . 1 . 1 86 86 GLN C C 13 175.757 0.3 . 1 . . . . . 939 GLN C . 51888 1
11 . 1 . 1 86 86 GLN CA C 13 55.695 0.3 . 1 . . . . . 939 GLN CA . 51888 1
12 . 1 . 1 86 86 GLN CB C 13 29.646 0.3 . 1 . . . . . 939 GLN CB . 51888 1
13 . 1 . 1 86 86 GLN CG C 13 33.767 0.3 . 1 . . . . . 939 GLN CG . 51888 1
14 . 1 . 1 86 86 GLN N N 15 120.340 0.3 . 1 . . . . . 939 GLN N . 51888 1
15 . 1 . 1 87 87 ALA H H 1 8.268 0.020 . 1 . . . . . 940 ALA H . 51888 1
16 . 1 . 1 87 87 ALA HA H 1 3.969 0.020 . 1 . . . . . 940 ALA HA . 51888 1
17 . 1 . 1 87 87 ALA HB1 H 1 1.358 0.020 . 1 . . . . . 940 ALA HB . 51888 1
18 . 1 . 1 87 87 ALA HB2 H 1 1.358 0.020 . 1 . . . . . 940 ALA HB . 51888 1
19 . 1 . 1 87 87 ALA HB3 H 1 1.358 0.020 . 1 . . . . . 940 ALA HB . 51888 1
20 . 1 . 1 87 87 ALA C C 13 177.451 0.3 . 1 . . . . . 940 ALA C . 51888 1
21 . 1 . 1 87 87 ALA CA C 13 52.460 0.3 . 1 . . . . . 940 ALA CA . 51888 1
22 . 1 . 1 87 87 ALA CB C 13 18.667 0.3 . 1 . . . . . 940 ALA CB . 51888 1
23 . 1 . 1 87 87 ALA N N 15 125.026 0.3 . 1 . . . . . 940 ALA N . 51888 1
24 . 1 . 1 88 88 GLN H H 1 8.319 0.020 . 1 . . . . . 941 GLN H . 51888 1
25 . 1 . 1 88 88 GLN HA H 1 4.312 0.020 . 1 . . . . . 941 GLN HA . 51888 1
26 . 1 . 1 88 88 GLN HB2 H 1 2.022 0.020 . 1 . . . . . 941 GLN HB2 . 51888 1
27 . 1 . 1 88 88 GLN HB3 H 1 2.022 0.020 . 1 . . . . . 941 GLN HB3 . 51888 1
28 . 1 . 1 88 88 GLN HG2 H 1 2.342 0.020 . 1 . . . . . 941 GLN HG2 . 51888 1
29 . 1 . 1 88 88 GLN HG3 H 1 2.342 0.020 . 1 . . . . . 941 GLN HG3 . 51888 1
30 . 1 . 1 88 88 GLN C C 13 175.671 0.3 . 1 . . . . . 941 GLN C . 51888 1
31 . 1 . 1 88 88 GLN CA C 13 55.184 0.3 . 1 . . . . . 941 GLN CA . 51888 1
32 . 1 . 1 88 88 GLN CB C 13 29.588 0.3 . 1 . . . . . 941 GLN CB . 51888 1
33 . 1 . 1 88 88 GLN CG C 13 33.882 0.3 . 1 . . . . . 941 GLN CG . 51888 1
34 . 1 . 1 88 88 GLN N N 15 119.786 0.3 . 1 . . . . . 941 GLN N . 51888 1
35 . 1 . 1 89 89 ILE H H 1 8.131 0.020 . 1 . . . . . 942 ILE H . 51888 1
36 . 1 . 1 89 89 ILE HA H 1 4.129 0.020 . 1 . . . . . 942 ILE HA . 51888 1
37 . 1 . 1 89 89 ILE HB H 1 1.839 0.020 . 1 . . . . . 942 ILE HB . 51888 1
38 . 1 . 1 89 89 ILE HG12 H 1 1.449 0.020 . 2 . . . . . 942 ILE HG12 . 51888 1
39 . 1 . 1 89 89 ILE HG13 H 1 1.449 0.020 . 1 . . . . . 942 ILE HG13 . 51888 1
40 . 1 . 1 89 89 ILE HG21 H 1 0.901 0.020 . 1 . . . . . 942 ILE HG2 . 51888 1
41 . 1 . 1 89 89 ILE HG22 H 1 0.901 0.020 . 1 . . . . . 942 ILE HG2 . 51888 1
42 . 1 . 1 89 89 ILE HG23 H 1 0.901 0.020 . 1 . . . . . 942 ILE HG2 . 51888 1
43 . 1 . 1 89 89 ILE HD11 H 1 0.877 0.020 . 1 . . . . . 942 ILE HD1 . 51888 1
44 . 1 . 1 89 89 ILE HD12 H 1 0.877 0.020 . 1 . . . . . 942 ILE HD1 . 51888 1
45 . 1 . 1 89 89 ILE HD13 H 1 0.877 0.020 . 1 . . . . . 942 ILE HD1 . 51888 1
46 . 1 . 1 89 89 ILE C C 13 175.688 0.3 . 1 . . . . . 942 ILE C . 51888 1
47 . 1 . 1 89 89 ILE CA C 13 60.189 0.3 . 1 . . . . . 942 ILE CA . 51888 1
48 . 1 . 1 89 89 ILE CB C 13 38.575 0.3 . 1 . . . . . 942 ILE CB . 51888 1
49 . 1 . 1 89 89 ILE CG1 C 13 27.206 0.3 . 1 . . . . . 942 ILE CG1 . 51888 1
50 . 1 . 1 89 89 ILE CG2 C 13 17.421 0.3 . 1 . . . . . 942 ILE CG2 . 51888 1
51 . 1 . 1 89 89 ILE CD1 C 13 12.932 0.3 . 1 . . . . . 942 ILE CD1 . 51888 1
52 . 1 . 1 89 89 ILE N N 15 122.385 0.3 . 1 . . . . . 942 ILE N . 51888 1
53 . 1 . 1 90 90 ALA H H 1 8.366 0.020 . 1 . . . . . 943 ALA H . 51888 1
54 . 1 . 1 90 90 ALA HA H 1 4.312 0.020 . 1 . . . . . 943 ALA HA . 51888 1
55 . 1 . 1 90 90 ALA HB1 H 1 1.358 0.020 . 1 . . . . . 943 ALA HB . 51888 1
56 . 1 . 1 90 90 ALA HB2 H 1 1.358 0.020 . 1 . . . . . 943 ALA HB . 51888 1
57 . 1 . 1 90 90 ALA HB3 H 1 1.358 0.020 . 1 . . . . . 943 ALA HB . 51888 1
58 . 1 . 1 90 90 ALA C C 13 177.057 0.3 . 1 . . . . . 943 ALA C . 51888 1
59 . 1 . 1 90 90 ALA CA C 13 51.999 0.3 . 1 . . . . . 943 ALA CA . 51888 1
60 . 1 . 1 90 90 ALA CB C 13 18.895 0.3 . 1 . . . . . 943 ALA CB . 51888 1
61 . 1 . 1 90 90 ALA N N 15 128.519 0.3 . 1 . . . . . 943 ALA N . 51888 1
62 . 1 . 1 91 91 LYS H H 1 8.246 0.020 . 1 . . . . . 944 LYS H . 51888 1
63 . 1 . 1 91 91 LYS C C 13 174.439 0.3 . 1 . . . . . 944 LYS C . 51888 1
64 . 1 . 1 91 91 LYS CA C 13 53.449 0.3 . 1 . . . . . 944 LYS CA . 51888 1
65 . 1 . 1 91 91 LYS CB C 13 32.091 0.3 . 1 . . . . . 944 LYS CB . 51888 1
66 . 1 . 1 91 91 LYS N N 15 122.215 0.3 . 1 . . . . . 944 LYS N . 51888 1
67 . 1 . 1 92 92 PRO HA H 1 4.427 0.020 . 1 . . . . . 945 PRO HA . 51888 1
68 . 1 . 1 92 92 PRO CA C 13 62.351 0.3 . 1 . . . . . 945 PRO CA . 51888 1
69 . 1 . 1 93 93 ILE H H 1 8.293 0.020 . 1 . . . . . 946 ILE H . 51888 1
70 . 1 . 1 93 93 ILE HA H 1 4.106 0.020 . 1 . . . . . 946 ILE HA . 51888 1
71 . 1 . 1 93 93 ILE HB H 1 1.839 0.020 . 1 . . . . . 946 ILE HB . 51888 1
72 . 1 . 1 93 93 ILE HG12 H 1 1.472 0.020 . 1 . . . . . 946 ILE HG12 . 51888 1
73 . 1 . 1 93 93 ILE HG13 H 1 1.472 0.020 . 1 . . . . . 946 ILE HG13 . 51888 1
74 . 1 . 1 93 93 ILE HG21 H 1 1.174 0.020 . 1 . . . . . 946 ILE HG2 . 51888 1
75 . 1 . 1 93 93 ILE HG22 H 1 1.174 0.020 . 1 . . . . . 946 ILE HG2 . 51888 1
76 . 1 . 1 93 93 ILE HG23 H 1 1.174 0.020 . 1 . . . . . 946 ILE HG2 . 51888 1
77 . 1 . 1 93 93 ILE HD11 H 1 0.854 0.020 . 1 . . . . . 946 ILE HD1 . 51888 1
78 . 1 . 1 93 93 ILE HD12 H 1 0.854 0.020 . 1 . . . . . 946 ILE HD1 . 51888 1
79 . 1 . 1 93 93 ILE HD13 H 1 0.854 0.020 . 1 . . . . . 946 ILE HD1 . 51888 1
80 . 1 . 1 93 93 ILE C C 13 176.424 0.3 . 1 . . . . . 946 ILE C . 51888 1
81 . 1 . 1 93 93 ILE CA C 13 61.100 0.3 . 1 . . . . . 946 ILE CA . 51888 1
82 . 1 . 1 93 93 ILE CB C 13 38.348 0.3 . 1 . . . . . 946 ILE CB . 51888 1
83 . 1 . 1 93 93 ILE CG1 C 13 27.206 0.3 . 1 . . . . . 946 ILE CG1 . 51888 1
84 . 1 . 1 93 93 ILE CG2 C 13 17.421 0.3 . 1 . . . . . 946 ILE CG2 . 51888 1
85 . 1 . 1 93 93 ILE CD1 C 13 12.816 0.3 . 1 . . . . . 946 ILE CD1 . 51888 1
86 . 1 . 1 93 93 ILE N N 15 121.618 0.3 . 1 . . . . . 946 ILE N . 51888 1
87 . 1 . 1 94 94 ARG H H 1 8.430 0.020 . 1 . . . . . 947 ARG H . 51888 1
88 . 1 . 1 94 94 ARG HA H 1 4.427 0.020 . 1 . . . . . 947 ARG HA . 51888 1
89 . 1 . 1 94 94 ARG HB2 H 1 1.816 0.020 . 1 . . . . . 947 ARG HB2 . 51888 1
90 . 1 . 1 94 94 ARG HB3 H 1 1.816 0.020 . 1 . . . . . 947 ARG HB3 . 51888 1
91 . 1 . 1 94 94 ARG HG2 H 1 1.632 0.020 . 1 . . . . . 947 ARG HG2 . 51888 1
92 . 1 . 1 94 94 ARG HG3 H 1 1.632 0.020 . 1 . . . . . 947 ARG HG3 . 51888 1
93 . 1 . 1 94 94 ARG HD2 H 1 3.167 0.020 . 1 . . . . . 947 ARG HD2 . 51888 1
94 . 1 . 1 94 94 ARG HD3 H 1 3.167 0.020 . 1 . . . . . 947 ARG HD3 . 51888 1
95 . 1 . 1 94 94 ARG C C 13 176.510 0.3 . 1 . . . . . 947 ARG C . 51888 1
96 . 1 . 1 94 94 ARG CA C 13 55.903 0.3 . 1 . . . . . 947 ARG CA . 51888 1
97 . 1 . 1 94 94 ARG CB C 13 30.384 0.3 . 1 . . . . . 947 ARG CB . 51888 1
98 . 1 . 1 94 94 ARG CG C 13 27.321 0.3 . 1 . . . . . 947 ARG CG . 51888 1
99 . 1 . 1 94 94 ARG CD C 13 43.322 0.3 . 1 . . . . . 947 ARG CD . 51888 1
100 . 1 . 1 94 94 ARG N N 15 125.282 0.3 . 1 . . . . . 947 ARG N . 51888 1
101 . 1 . 1 95 95 SER H H 1 8.383 0.020 . 1 . . . . . 948 SER H . 51888 1
102 . 1 . 1 95 95 SER C C 13 174.952 0.3 . 1 . . . . . 948 SER C . 51888 1
103 . 1 . 1 95 95 SER CA C 13 58.256 0.3 . 1 . . . . . 948 SER CA . 51888 1
104 . 1 . 1 95 95 SER CB C 13 63.602 0.3 . 1 . . . . . 948 SER CB . 51888 1
105 . 1 . 1 95 95 SER N N 15 117.486 0.3 . 1 . . . . . 948 SER N . 51888 1
106 . 1 . 1 96 96 GLY H H 1 8.534 0.020 . 1 . . . . . 949 GLY H . 51888 1
107 . 1 . 1 96 96 GLY HA2 H 1 3.969 0.020 . 1 . . . . . 949 GLY HA2 . 51888 1
108 . 1 . 1 96 96 GLY HA3 H 1 3.969 0.020 . 1 . . . . . 949 GLY HA3 . 51888 1
109 . 1 . 1 96 96 GLY C C 13 174.302 0.3 . 1 . . . . . 949 GLY C . 51888 1
110 . 1 . 1 96 96 GLY CA C 13 45.367 0.3 . 1 . . . . . 949 GLY CA . 51888 1
111 . 1 . 1 96 96 GLY N N 15 111.031 0.3 . 1 . . . . . 949 GLY N . 51888 1
112 . 1 . 1 97 97 GLN H H 1 8.313 0.020 . 1 . . . . . 950 GLN H . 51888 1
113 . 1 . 1 97 97 GLN HA H 1 4.312 0.020 . 1 . . . . . 950 GLN HA . 51888 1
114 . 1 . 1 97 97 GLN HB2 H 1 2.136 0.020 . 1 . . . . . 950 GLN HB2 . 51888 1
115 . 1 . 1 97 97 GLN HB3 H 1 1.976 0.020 . 2 . . . . . 950 GLN HB3 . 51888 1
116 . 1 . 1 97 97 GLN HG2 H 1 2.342 0.020 . 1 . . . . . 950 GLN HG2 . 51888 1
117 . 1 . 1 97 97 GLN HG3 H 1 2.342 0.020 . 1 . . . . . 950 GLN HG3 . 51888 1
118 . 1 . 1 97 97 GLN C C 13 176.493 0.3 . 1 . . . . . 950 GLN C . 51888 1
119 . 1 . 1 97 97 GLN CA C 13 55.785 0.3 . 1 . . . . . 950 GLN CA . 51888 1
120 . 1 . 1 97 97 GLN CB C 13 29.248 0.3 . 1 . . . . . 950 GLN CB . 51888 1
121 . 1 . 1 97 97 GLN CG C 13 33.767 0.3 . 1 . . . . . 950 GLN CG . 51888 1
122 . 1 . 1 97 97 GLN N N 15 119.696 0.3 . 1 . . . . . 950 GLN N . 51888 1
123 . 1 . 1 98 98 GLY H H 1 8.490 0.020 . 1 . . . . . 951 GLY H . 51888 1
124 . 1 . 1 98 98 GLY HA2 H 1 3.946 0.020 . 1 . . . . . 951 GLY HA2 . 51888 1
125 . 1 . 1 98 98 GLY HA3 H 1 3.946 0.020 . 1 . . . . . 951 GLY HA3 . 51888 1
126 . 1 . 1 98 98 GLY C C 13 173.618 0.3 . 1 . . . . . 951 GLY C . 51888 1
127 . 1 . 1 98 98 GLY CA C 13 45.059 0.3 . 1 . . . . . 951 GLY CA . 51888 1
128 . 1 . 1 98 98 GLY N N 15 110.031 0.3 . 1 . . . . . 951 GLY N . 51888 1
129 . 1 . 1 99 99 ALA H H 1 8.114 0.020 . 1 . . . . . 952 ALA H . 51888 1
130 . 1 . 1 99 99 ALA HA H 1 4.312 0.020 . 1 . . . . . 952 ALA HA . 51888 1
131 . 1 . 1 99 99 ALA HB1 H 1 1.358 0.020 . 1 . . . . . 952 ALA HB . 51888 1
132 . 1 . 1 99 99 ALA HB2 H 1 1.358 0.020 . 1 . . . . . 952 ALA HB . 51888 1
133 . 1 . 1 99 99 ALA HB3 H 1 1.358 0.020 . 1 . . . . . 952 ALA HB . 51888 1
134 . 1 . 1 99 99 ALA C C 13 177.708 0.3 . 1 . . . . . 952 ALA C . 51888 1
135 . 1 . 1 99 99 ALA CA C 13 52.113 0.3 . 1 . . . . . 952 ALA CA . 51888 1
136 . 1 . 1 99 99 ALA CB C 13 18.781 0.3 . 1 . . . . . 952 ALA CB . 51888 1
137 . 1 . 1 99 99 ALA N N 15 123.620 0.3 . 1 . . . . . 952 ALA N . 51888 1
138 . 1 . 1 100 100 ILE H H 1 8.045 0.020 . 1 . . . . . 953 ILE H . 51888 1
139 . 1 . 1 100 100 ILE HA H 1 4.083 0.020 . 1 . . . . . 953 ILE HA . 51888 1
140 . 1 . 1 100 100 ILE HB H 1 1.839 0.020 . 1 . . . . . 953 ILE HB . 51888 1
141 . 1 . 1 100 100 ILE HG12 H 1 1.449 0.020 . 1 . . . . . 953 ILE HG12 . 51888 1
142 . 1 . 1 100 100 ILE HG13 H 1 1.449 0.020 . 1 . . . . . 953 ILE HG13 . 51888 1
143 . 1 . 1 100 100 ILE HG21 H 1 1.151 0.020 . 1 . . . . . 953 ILE HG2 . 51888 1
144 . 1 . 1 100 100 ILE HG22 H 1 1.151 0.020 . 1 . . . . . 953 ILE HG2 . 51888 1
145 . 1 . 1 100 100 ILE HG23 H 1 1.151 0.020 . 1 . . . . . 953 ILE HG2 . 51888 1
146 . 1 . 1 100 100 ILE HD11 H 1 0.877 0.020 . 1 . . . . . 953 ILE HD1 . 51888 1
147 . 1 . 1 100 100 ILE HD12 H 1 0.877 0.020 . 1 . . . . . 953 ILE HD1 . 51888 1
148 . 1 . 1 100 100 ILE HD13 H 1 0.877 0.020 . 1 . . . . . 953 ILE HD1 . 51888 1
149 . 1 . 1 100 100 ILE C C 13 175.911 0.3 . 1 . . . . . 953 ILE C . 51888 1
150 . 1 . 1 100 100 ILE CA C 13 60.963 0.3 . 1 . . . . . 953 ILE CA . 51888 1
151 . 1 . 1 100 100 ILE CB C 13 38.461 0.3 . 1 . . . . . 953 ILE CB . 51888 1
152 . 1 . 1 100 100 ILE CG1 C 13 27.321 0.3 . 1 . . . . . 953 ILE CG1 . 51888 1
153 . 1 . 1 100 100 ILE CG2 C 13 17.421 0.3 . 1 . . . . . 953 ILE CG2 . 51888 1
154 . 1 . 1 100 100 ILE CD1 C 13 12.932 0.3 . 1 . . . . . 953 ILE CD1 . 51888 1
155 . 1 . 1 100 100 ILE N N 15 119.872 0.3 . 1 . . . . . 953 ILE N . 51888 1
156 . 1 . 1 101 101 ALA H H 1 8.298 0.020 . 1 . . . . . 954 ALA H . 51888 1
157 . 1 . 1 101 101 ALA HA H 1 4.335 0.020 . 1 . . . . . 954 ALA HA . 51888 1
158 . 1 . 1 101 101 ALA HB1 H 1 1.335 0.020 . 1 . . . . . 954 ALA HB . 51888 1
159 . 1 . 1 101 101 ALA HB2 H 1 1.335 0.020 . 1 . . . . . 954 ALA HB . 51888 1
160 . 1 . 1 101 101 ALA HB3 H 1 1.335 0.020 . 1 . . . . . 954 ALA HB . 51888 1
161 . 1 . 1 101 101 ALA C C 13 177.383 0.3 . 1 . . . . . 954 ALA C . 51888 1
162 . 1 . 1 101 101 ALA CA C 13 51.885 0.3 . 1 . . . . . 954 ALA CA . 51888 1
163 . 1 . 1 101 101 ALA CB C 13 18.667 0.3 . 1 . . . . . 954 ALA CB . 51888 1
164 . 1 . 1 101 101 ALA N N 15 128.093 0.3 . 1 . . . . . 954 ALA N . 51888 1
165 . 1 . 1 102 102 ILE H H 1 8.097 0.020 . 1 . . . . . 955 ILE H . 51888 1
166 . 1 . 1 102 102 ILE C C 13 176.339 0.3 . 1 . . . . . 955 ILE C . 51888 1
167 . 1 . 1 102 102 ILE CA C 13 60.531 0.3 . 1 . . . . . 955 ILE CA . 51888 1
168 . 1 . 1 102 102 ILE CB C 13 38.575 0.3 . 1 . . . . . 955 ILE CB . 51888 1
169 . 1 . 1 102 102 ILE N N 15 120.511 0.3 . 1 . . . . . 955 ILE N . 51888 1
170 . 1 . 1 104 104 GLY H H 1 8.473 0.020 . 1 . . . . . 957 GLY H . 51888 1
171 . 1 . 1 104 104 GLY HA2 H 1 3.946 0.020 . 1 . . . . . 957 GLY HA2 . 51888 1
172 . 1 . 1 104 104 GLY HA3 H 1 3.946 0.020 . 1 . . . . . 957 GLY HA3 . 51888 1
173 . 1 . 1 104 104 GLY C C 13 174.696 0.3 . 1 . . . . . 957 GLY C . 51888 1
174 . 1 . 1 104 104 GLY CA C 13 45.287 0.3 . 1 . . . . . 957 GLY CA . 51888 1
175 . 1 . 1 104 104 GLY N N 15 110.628 0.3 . 1 . . . . . 957 GLY N . 51888 1
176 . 1 . 1 105 105 GLY H H 1 8.346 0.020 . 1 . . . . . 958 GLY H . 51888 1
177 . 1 . 1 105 105 GLY HA2 H 1 3.969 0.020 . 1 . . . . . 958 GLY HA2 . 51888 1
178 . 1 . 1 105 105 GLY HA3 H 1 3.969 0.020 . 1 . . . . . 958 GLY HA3 . 51888 1
179 . 1 . 1 105 105 GLY C C 13 174.644 0.3 . 1 . . . . . 958 GLY C . 51888 1
180 . 1 . 1 105 105 GLY CA C 13 45.220 0.3 . 1 . . . . . 958 GLY CA . 51888 1
181 . 1 . 1 105 105 GLY N N 15 108.660 0.3 . 1 . . . . . 958 GLY N . 51888 1
182 . 1 . 1 106 106 GLY H H 1 8.320 0.020 . 1 . . . . . 959 GLY H . 51888 1
183 . 1 . 1 106 106 GLY HA2 H 1 3.946 0.020 . 1 . . . . . 959 GLY HA2 . 51888 1
184 . 1 . 1 106 106 GLY HA3 H 1 3.946 0.020 . 1 . . . . . 959 GLY HA3 . 51888 1
185 . 1 . 1 106 106 GLY C C 13 173.652 0.3 . 1 . . . . . 959 GLY C . 51888 1
186 . 1 . 1 106 106 GLY CA C 13 45.071 0.3 . 1 . . . . . 959 GLY CA . 51888 1
187 . 1 . 1 106 106 GLY N N 15 108.730 0.3 . 1 . . . . . 959 GLY N . 51888 1
188 . 1 . 1 107 107 ALA H H 1 8.199 0.020 . 1 . . . . . 960 ALA H . 51888 1
189 . 1 . 1 107 107 ALA HA H 1 4.381 0.020 . 1 . . . . . 960 ALA HA . 51888 1
190 . 1 . 1 107 107 ALA HB1 H 1 1.358 0.020 . 1 . . . . . 960 ALA HB . 51888 1
191 . 1 . 1 107 107 ALA HB2 H 1 1.358 0.020 . 1 . . . . . 960 ALA HB . 51888 1
192 . 1 . 1 107 107 ALA HB3 H 1 1.358 0.020 . 1 . . . . . 960 ALA HB . 51888 1
193 . 1 . 1 107 107 ALA C C 13 177.913 0.3 . 1 . . . . . 960 ALA C . 51888 1
194 . 1 . 1 107 107 ALA CA C 13 52.292 0.3 . 1 . . . . . 960 ALA CA . 51888 1
195 . 1 . 1 107 107 ALA CB C 13 18.781 0.3 . 1 . . . . . 960 ALA CB . 51888 1
196 . 1 . 1 107 107 ALA N N 15 123.833 0.3 . 1 . . . . . 960 ALA N . 51888 1
197 . 1 . 1 108 108 VAL H H 1 8.178 0.020 . 1 . . . . . 961 VAL H . 51888 1
198 . 1 . 1 108 108 VAL HA H 1 4.106 0.020 . 1 . . . . . 961 VAL HA . 51888 1
199 . 1 . 1 108 108 VAL HB H 1 2.091 0.020 . 1 . . . . . 961 VAL HB . 51888 1
200 . 1 . 1 108 108 VAL HG11 H 1 0.922 0.020 . 1 . . . . . 961 VAL HG1 . 51888 1
201 . 1 . 1 108 108 VAL HG12 H 1 0.922 0.020 . 1 . . . . . 961 VAL HG1 . 51888 1
202 . 1 . 1 108 108 VAL HG13 H 1 0.922 0.020 . 1 . . . . . 961 VAL HG1 . 51888 1
203 . 1 . 1 108 108 VAL HG21 H 1 0.922 0.020 . 1 . . . . . 961 VAL HG2 . 51888 1
204 . 1 . 1 108 108 VAL HG22 H 1 0.922 0.020 . 1 . . . . . 961 VAL HG2 . 51888 1
205 . 1 . 1 108 108 VAL HG23 H 1 0.922 0.020 . 1 . . . . . 961 VAL HG2 . 51888 1
206 . 1 . 1 108 108 VAL C C 13 176.698 0.3 . 1 . . . . . 961 VAL C . 51888 1
207 . 1 . 1 108 108 VAL CA C 13 62.377 0.3 . 1 . . . . . 961 VAL CA . 51888 1
208 . 1 . 1 108 108 VAL CB C 13 32.416 0.3 . 1 . . . . . 961 VAL CB . 51888 1
209 . 1 . 1 108 108 VAL CG1 C 13 20.990 0.3 . 1 . . . . . 961 VAL CG1 . 51888 1
210 . 1 . 1 108 108 VAL N N 15 119.367 0.3 . 1 . . . . . 961 VAL N . 51888 1
211 . 1 . 1 109 109 GLY H H 1 8.473 0.020 . 1 . . . . . 962 GLY H . 51888 1
212 . 1 . 1 109 109 GLY CA C 13 45.059 0.3 . 1 . . . . . 962 GLY CA . 51888 1
213 . 1 . 1 109 109 GLY N N 15 112.545 0.3 . 1 . . . . . 962 GLY N . 51888 1
214 . 1 . 1 110 110 GLY H H 1 8.092 0.020 . 1 . . . . . 963 GLY H . 51888 1
215 . 1 . 1 110 110 GLY CA C 13 44.491 0.3 . 1 . . . . . 963 GLY CA . 51888 1
216 . 1 . 1 110 110 GLY N N 15 108.753 0.3 . 1 . . . . . 963 GLY N . 51888 1
217 . 1 . 1 112 112 SER H H 1 8.460 0.020 . 1 . . . . . 965 SER H . 51888 1
218 . 1 . 1 112 112 SER CA C 13 56.208 0.3 . 1 . . . . . 965 SER CA . 51888 1
219 . 1 . 1 112 112 SER CB C 13 63.488 0.3 . 1 . . . . . 965 SER CB . 51888 1
220 . 1 . 1 112 112 SER N N 15 117.614 0.3 . 1 . . . . . 965 SER N . 51888 1
221 . 1 . 1 114 114 LEU H H 1 8.174 0.020 . 1 . . . . . 967 LEU H . 51888 1
222 . 1 . 1 114 114 LEU C C 13 176.989 0.3 . 1 . . . . . 967 LEU C . 51888 1
223 . 1 . 1 114 114 LEU CA C 13 55.094 0.3 . 1 . . . . . 967 LEU CA . 51888 1
224 . 1 . 1 114 114 LEU CB C 13 41.988 0.3 . 1 . . . . . 967 LEU CB . 51888 1
225 . 1 . 1 114 114 LEU CG C 13 27.091 0.3 . 1 . . . . . 967 LEU CG . 51888 1
226 . 1 . 1 114 114 LEU CD1 C 13 24.788 0.3 . 1 . . . . . 967 LEU CD1 . 51888 1
227 . 1 . 1 114 114 LEU CD2 C 13 23.522 0.3 . 1 . . . . . 967 LEU CD2 . 51888 1
228 . 1 . 1 114 114 LEU N N 15 121.327 0.3 . 1 . . . . . 967 LEU N . 51888 1
229 . 1 . 1 115 115 ALA H H 1 8.118 0.020 . 1 . . . . . 968 ALA H . 51888 1
230 . 1 . 1 115 115 ALA HA H 1 4.266 0.020 . 1 . . . . . 968 ALA HA . 51888 1
231 . 1 . 1 115 115 ALA HB1 H 1 1.358 0.020 . 1 . . . . . 968 ALA HB . 51888 1
232 . 1 . 1 115 115 ALA HB2 H 1 1.358 0.020 . 1 . . . . . 968 ALA HB . 51888 1
233 . 1 . 1 115 115 ALA HB3 H 1 1.358 0.020 . 1 . . . . . 968 ALA HB . 51888 1
234 . 1 . 1 115 115 ALA C C 13 177.348 0.3 . 1 . . . . . 968 ALA C . 51888 1
235 . 1 . 1 115 115 ALA CA C 13 52.568 0.3 . 1 . . . . . 968 ALA CA . 51888 1
236 . 1 . 1 115 115 ALA CB C 13 18.655 0.3 . 1 . . . . . 968 ALA CB . 51888 1
237 . 1 . 1 115 115 ALA N N 15 124.387 0.3 . 1 . . . . . 968 ALA N . 51888 1
238 . 1 . 1 116 116 GLN H H 1 8.242 0.020 . 1 . . . . . 969 GLN H . 51888 1
239 . 1 . 1 116 116 GLN HA H 1 4.358 0.020 . 1 . . . . . 969 GLN HA . 51888 1
240 . 1 . 1 116 116 GLN HB2 H 1 1.976 0.020 . 1 . . . . . 969 GLN HB2 . 51888 1
241 . 1 . 1 116 116 GLN HB3 H 1 1.976 0.020 . 1 . . . . . 969 GLN HB3 . 51888 1
242 . 1 . 1 116 116 GLN HG2 H 1 2.320 0.020 . 1 . . . . . 969 GLN HG2 . 51888 1
243 . 1 . 1 116 116 GLN HG3 H 1 2.320 0.020 . 1 . . . . . 969 GLN HG3 . 51888 1
244 . 1 . 1 116 116 GLN C C 13 175.654 0.3 . 1 . . . . . 969 GLN C . 51888 1
245 . 1 . 1 116 116 GLN CA C 13 55.525 0.3 . 1 . . . . . 969 GLN CA . 51888 1
246 . 1 . 1 116 116 GLN CB C 13 29.588 0.3 . 1 . . . . . 969 GLN CB . 51888 1
247 . 1 . 1 116 116 GLN CG C 13 33.882 0.3 . 1 . . . . . 969 GLN CG . 51888 1
248 . 1 . 1 116 116 GLN N N 15 119.616 0.3 . 1 . . . . . 969 GLN N . 51888 1
249 . 1 . 1 117 117 VAL H H 1 8.157 0.020 . 1 . . . . . 970 VAL H . 51888 1
250 . 1 . 1 117 117 VAL HA H 1 4.083 0.020 . 1 . . . . . 970 VAL HA . 51888 1
251 . 1 . 1 117 117 VAL HB H 1 1.999 0.020 . 1 . . . . . 970 VAL HB . 51888 1
252 . 1 . 1 117 117 VAL HG11 H 1 0.877 0.020 . 1 . . . . . 970 VAL HG1 . 51888 1
253 . 1 . 1 117 117 VAL HG12 H 1 0.877 0.020 . 1 . . . . . 970 VAL HG1 . 51888 1
254 . 1 . 1 117 117 VAL HG13 H 1 0.877 0.020 . 1 . . . . . 970 VAL HG1 . 51888 1
255 . 1 . 1 117 117 VAL HG21 H 1 0.877 0.020 . 1 . . . . . 970 VAL HG2 . 51888 1
256 . 1 . 1 117 117 VAL HG22 H 1 0.877 0.020 . 1 . . . . . 970 VAL HG2 . 51888 1
257 . 1 . 1 117 117 VAL HG23 H 1 0.877 0.020 . 1 . . . . . 970 VAL HG2 . 51888 1
258 . 1 . 1 117 117 VAL C C 13 175.500 0.3 . 1 . . . . . 970 VAL C . 51888 1
259 . 1 . 1 117 117 VAL CA C 13 61.938 0.3 . 1 . . . . . 970 VAL CA . 51888 1
260 . 1 . 1 117 117 VAL CB C 13 32.117 0.3 . 1 . . . . . 970 VAL CB . 51888 1
261 . 1 . 1 117 117 VAL CG1 C 13 20.990 0.3 . 1 . . . . . 970 VAL CG1 . 51888 1
262 . 1 . 1 117 117 VAL N N 15 121.363 0.3 . 1 . . . . . 970 VAL N . 51888 1
263 . 1 . 1 118 118 ASN H H 1 8.541 0.020 . 1 . . . . . 971 ASN H . 51888 1
264 . 1 . 1 118 118 ASN C C 13 173.173 0.3 . 1 . . . . . 971 ASN C . 51888 1
265 . 1 . 1 118 118 ASN CA C 13 50.975 0.3 . 1 . . . . . 971 ASN CA . 51888 1
266 . 1 . 1 118 118 ASN CB C 13 38.461 0.3 . 1 . . . . . 971 ASN CB . 51888 1
267 . 1 . 1 118 118 ASN N N 15 123.578 0.3 . 1 . . . . . 971 ASN N . 51888 1
268 . 1 . 1 120 120 VAL H H 1 8.169 0.020 . 1 . . . . . 973 VAL H . 51888 1
269 . 1 . 1 120 120 VAL HA H 1 4.060 0.020 . 1 . . . . . 973 VAL HA . 51888 1
270 . 1 . 1 120 120 VAL HB H 1 2.068 0.020 . 1 . . . . . 973 VAL HB . 51888 1
271 . 1 . 1 120 120 VAL HG11 H 1 0.900 0.020 . 1 . . . . . 973 VAL HG1 . 51888 1
272 . 1 . 1 120 120 VAL HG12 H 1 0.900 0.020 . 1 . . . . . 973 VAL HG1 . 51888 1
273 . 1 . 1 120 120 VAL HG13 H 1 0.900 0.020 . 1 . . . . . 973 VAL HG1 . 51888 1
274 . 1 . 1 120 120 VAL HG21 H 1 0.900 0.020 . 1 . . . . . 973 VAL HG2 . 51888 1
275 . 1 . 1 120 120 VAL HG22 H 1 0.900 0.020 . 1 . . . . . 973 VAL HG2 . 51888 1
276 . 1 . 1 120 120 VAL HG23 H 1 0.900 0.020 . 1 . . . . . 973 VAL HG2 . 51888 1
277 . 1 . 1 120 120 VAL C C 13 175.894 0.3 . 1 . . . . . 973 VAL C . 51888 1
278 . 1 . 1 120 120 VAL CA C 13 62.351 0.3 . 1 . . . . . 973 VAL CA . 51888 1
279 . 1 . 1 120 120 VAL CB C 13 31.977 0.3 . 1 . . . . . 973 VAL CB . 51888 1
280 . 1 . 1 120 120 VAL CG1 C 13 20.874 0.3 . 1 . . . . . 973 VAL CG1 . 51888 1
281 . 1 . 1 120 120 VAL N N 15 119.573 0.3 . 1 . . . . . 973 VAL N . 51888 1
282 . 1 . 1 121 121 ASN H H 1 8.421 0.020 . 1 . . . . . 974 ASN H . 51888 1
283 . 1 . 1 121 121 ASN HA H 1 4.770 0.020 . 1 . . . . . 974 ASN HA . 51888 1
284 . 1 . 1 121 121 ASN HB2 H 1 2.778 0.020 . 1 . . . . . 974 ASN HB2 . 51888 1
285 . 1 . 1 121 121 ASN HB3 H 1 2.778 0.020 . 1 . . . . . 974 ASN HB3 . 51888 1
286 . 1 . 1 121 121 ASN C C 13 174.148 0.3 . 1 . . . . . 974 ASN C . 51888 1
287 . 1 . 1 121 121 ASN CA C 13 53.166 0.3 . 1 . . . . . 974 ASN CA . 51888 1
288 . 1 . 1 121 121 ASN CB C 13 38.689 0.3 . 1 . . . . . 974 ASN CB . 51888 1
289 . 1 . 1 121 121 ASN N N 15 122.300 0.3 . 1 . . . . . 974 ASN N . 51888 1
290 . 1 . 1 122 122 SER H H 1 7.900 0.020 . 1 . . . . . 975 SER H . 51888 1
291 . 1 . 1 122 122 SER C C 13 178.371 0.3 . 1 . . . . . 975 SER C . 51888 1
292 . 1 . 1 122 122 SER CA C 13 59.621 0.3 . 1 . . . . . 975 SER CA . 51888 1
293 . 1 . 1 122 122 SER CB C 13 64.040 0.3 . 1 . . . . . 975 SER CB . 51888 1
294 . 1 . 1 122 122 SER N N 15 121.666 0.3 . 1 . . . . . 975 SER N . 51888 1
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