Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 19218
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 19218 1
2 '3D HCCH-COSY' . . . 19218 1
3 '3D HCCH-TOCSY' . . . 19218 1
4 '3D 1H-13C NOESY' . . . 19218 1
5 '3D CBCA(CO)NH' . . . 19218 1
6 '3D C(CO)NH' . . . 19218 1
7 '3D HNCO' . . . 19218 1
8 '3D H(CCO)NH' . . . 19218 1
9 '3D HNCACB' . . . 19218 1
10 '3D HBHA(CO)NH' . . . 19218 1
11 '3D 1H-15N NOESY' . . . 19218 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 MET H H 1 8.657 0.025 . . . . . A 9 MET HN . 19218 1
2 . 1 1 1 1 MET HA H 1 4.563 0.021 . . . . . A 9 MET HA . 19218 1
3 . 1 1 1 1 MET HB2 H 1 2.010 0.011 . . . . . A 9 MET HB2 . 19218 1
4 . 1 1 1 1 MET HB3 H 1 2.504 0.012 . . . . . A 9 MET HB3 . 19218 1
5 . 1 1 1 1 MET HG2 H 1 2.024 0.005 . . . . . A 9 MET HG2 . 19218 1
6 . 1 1 1 1 MET HG3 H 1 2.024 0.005 . . . . . A 9 MET HG3 . 19218 1
7 . 1 1 1 1 MET CA C 13 55.626 0.098 . . . . . A 9 MET CA . 19218 1
8 . 1 1 1 1 MET CB C 13 31.436 0.069 . . . . . A 9 MET CB . 19218 1
9 . 1 1 1 1 MET N N 15 122.073 0.000 . . . . . A 9 MET N . 19218 1
10 . 1 1 2 2 SER H H 1 8.600 0.013 . . . . . A 10 SER H . 19218 1
11 . 1 1 2 2 SER HA H 1 4.238 0.005 . . . . . A 10 SER HA . 19218 1
12 . 1 1 2 2 SER HB2 H 1 3.890 0.005 . . . . . A 10 SER HB2 . 19218 1
13 . 1 1 2 2 SER HB3 H 1 3.952 0.019 . . . . . A 10 SER HB3 . 19218 1
14 . 1 1 2 2 SER CA C 13 59.536 0.016 . . . . . A 10 SER CA . 19218 1
15 . 1 1 2 2 SER CB C 13 62.858 0.044 . . . . . A 10 SER CB . 19218 1
16 . 1 1 2 2 SER N N 15 116.136 0.101 . . . . . A 10 SER N . 19218 1
17 . 1 1 3 3 ALA H H 1 8.301 0.011 . . . . . A 11 ALA H . 19218 1
18 . 1 1 3 3 ALA HA H 1 4.124 0.011 . . . . . A 11 ALA HA . 19218 1
19 . 1 1 3 3 ALA HB1 H 1 1.267 0.010 . . . . . A 11 ALA HB1 . 19218 1
20 . 1 1 3 3 ALA HB2 H 1 1.267 0.010 . . . . . A 11 ALA HB2 . 19218 1
21 . 1 1 3 3 ALA HB3 H 1 1.267 0.010 . . . . . A 11 ALA HB3 . 19218 1
22 . 1 1 3 3 ALA CA C 13 54.294 0.029 . . . . . A 11 ALA CA . 19218 1
23 . 1 1 3 3 ALA CB C 13 18.453 0.142 . . . . . A 11 ALA CB . 19218 1
24 . 1 1 3 3 ALA N N 15 125.978 0.070 . . . . . A 11 ALA N . 19218 1
25 . 1 1 4 4 PHE H H 1 7.521 0.011 . . . . . A 12 PHE H . 19218 1
26 . 1 1 4 4 PHE HA H 1 3.643 0.010 . . . . . A 12 PHE HA . 19218 1
27 . 1 1 4 4 PHE HB2 H 1 2.244 0.010 . . . . . A 12 PHE HB2 . 19218 1
28 . 1 1 4 4 PHE HB3 H 1 2.829 0.019 . . . . . A 12 PHE HB3 . 19218 1
29 . 1 1 4 4 PHE HD1 H 1 5.985 0.010 . . . . . A 12 PHE HD1 . 19218 1
30 . 1 1 4 4 PHE HD2 H 1 5.985 0.010 . . . . . A 12 PHE HD2 . 19218 1
31 . 1 1 4 4 PHE HE1 H 1 6.831 0.008 . . . . . A 12 PHE HE1 . 19218 1
32 . 1 1 4 4 PHE HE2 H 1 6.831 0.008 . . . . . A 12 PHE HE2 . 19218 1
33 . 1 1 4 4 PHE HZ H 1 7.137 0.002 . . . . . A 12 PHE HZ . 19218 1
34 . 1 1 4 4 PHE CA C 13 60.691 0.155 . . . . . A 12 PHE CA . 19218 1
35 . 1 1 4 4 PHE CB C 13 38.510 0.020 . . . . . A 12 PHE CB . 19218 1
36 . 1 1 4 4 PHE N N 15 116.204 0.051 . . . . . A 12 PHE N . 19218 1
37 . 1 1 5 5 VAL H H 1 7.693 0.010 . . . . . A 13 VAL H . 19218 1
38 . 1 1 5 5 VAL HA H 1 3.361 0.017 . . . . . A 13 VAL HA . 19218 1
39 . 1 1 5 5 VAL HB H 1 2.077 0.011 . . . . . A 13 VAL HB . 19218 1
40 . 1 1 5 5 VAL HG11 H 1 1.005 0.014 . . . . . A 13 VAL HG11 . 19218 1
41 . 1 1 5 5 VAL HG12 H 1 1.005 0.014 . . . . . A 13 VAL HG12 . 19218 1
42 . 1 1 5 5 VAL HG13 H 1 1.005 0.014 . . . . . A 13 VAL HG13 . 19218 1
43 . 1 1 5 5 VAL HG21 H 1 0.805 0.010 . . . . . A 13 VAL HG21 . 19218 1
44 . 1 1 5 5 VAL HG22 H 1 0.805 0.010 . . . . . A 13 VAL HG22 . 19218 1
45 . 1 1 5 5 VAL HG23 H 1 0.805 0.010 . . . . . A 13 VAL HG23 . 19218 1
46 . 1 1 5 5 VAL CA C 13 67.107 0.014 . . . . . A 13 VAL CA . 19218 1
47 . 1 1 5 5 VAL CB C 13 31.468 0.207 . . . . . A 13 VAL CB . 19218 1
48 . 1 1 5 5 VAL CG1 C 13 23.293 0.000 . . . . . A 13 VAL CG1 . 19218 1
49 . 1 1 5 5 VAL CG2 C 13 20.947 0.000 . . . . . A 13 VAL CG2 . 19218 1
50 . 1 1 5 5 VAL N N 15 119.293 0.062 . . . . . A 13 VAL N . 19218 1
51 . 1 1 6 6 THR H H 1 7.902 0.011 . . . . . A 14 THR H . 19218 1
52 . 1 1 6 6 THR HA H 1 3.949 0.007 . . . . . A 14 THR HA . 19218 1
53 . 1 1 6 6 THR HB H 1 4.087 0.011 . . . . . A 14 THR HB . 19218 1
54 . 1 1 6 6 THR HG21 H 1 1.200 0.008 . . . . . A 14 THR HG21 . 19218 1
55 . 1 1 6 6 THR HG22 H 1 1.200 0.008 . . . . . A 14 THR HG22 . 19218 1
56 . 1 1 6 6 THR HG23 H 1 1.200 0.008 . . . . . A 14 THR HG23 . 19218 1
57 . 1 1 6 6 THR CA C 13 66.076 0.028 . . . . . A 14 THR CA . 19218 1
58 . 1 1 6 6 THR CB C 13 68.449 0.033 . . . . . A 14 THR CB . 19218 1
59 . 1 1 6 6 THR CG2 C 13 21.966 0.000 . . . . . A 14 THR CG2 . 19218 1
60 . 1 1 6 6 THR N N 15 114.423 0.083 . . . . . A 14 THR N . 19218 1
61 . 1 1 7 7 LYS H H 1 7.738 0.011 . . . . . A 15 LYS H . 19218 1
62 . 1 1 7 7 LYS HA H 1 4.166 0.017 . . . . . A 15 LYS HA . 19218 1
63 . 1 1 7 7 LYS HB2 H 1 2.088 0.009 . . . . . A 15 LYS HB2 . 19218 1
64 . 1 1 7 7 LYS HB3 H 1 2.088 0.009 . . . . . A 15 LYS HB3 . 19218 1
65 . 1 1 7 7 LYS HG2 H 1 1.638 0.011 . . . . . A 15 LYS HG2 . 19218 1
66 . 1 1 7 7 LYS HG3 H 1 1.638 0.011 . . . . . A 15 LYS HG3 . 19218 1
67 . 1 1 7 7 LYS HE2 H 1 2.901 0.009 . . . . . A 15 LYS HE2 . 19218 1
68 . 1 1 7 7 LYS HE3 H 1 2.901 0.009 . . . . . A 15 LYS HE3 . 19218 1
69 . 1 1 7 7 LYS CA C 13 58.584 0.020 . . . . . A 15 LYS CA . 19218 1
70 . 1 1 7 7 LYS CB C 13 32.325 0.106 . . . . . A 15 LYS CB . 19218 1
71 . 1 1 7 7 LYS CG C 13 25.503 0.000 . . . . . A 15 LYS CG . 19218 1
72 . 1 1 7 7 LYS N N 15 120.738 0.075 . . . . . A 15 LYS N . 19218 1
73 . 1 1 8 8 ALA H H 1 8.597 0.011 . . . . . A 16 ALA H . 19218 1
74 . 1 1 8 8 ALA HA H 1 3.867 0.012 . . . . . A 16 ALA HA . 19218 1
75 . 1 1 8 8 ALA HB1 H 1 0.828 0.011 . . . . . A 16 ALA HB1 . 19218 1
76 . 1 1 8 8 ALA HB2 H 1 0.828 0.011 . . . . . A 16 ALA HB2 . 19218 1
77 . 1 1 8 8 ALA HB3 H 1 0.828 0.011 . . . . . A 16 ALA HB3 . 19218 1
78 . 1 1 8 8 ALA CA C 13 55.804 0.085 . . . . . A 16 ALA CA . 19218 1
79 . 1 1 8 8 ALA CB C 13 17.349 0.091 . . . . . A 16 ALA CB . 19218 1
80 . 1 1 8 8 ALA N N 15 123.499 0.065 . . . . . A 16 ALA N . 19218 1
81 . 1 1 9 9 GLU H H 1 8.033 0.011 . . . . . A 17 GLU H . 19218 1
82 . 1 1 9 9 GLU HA H 1 3.656 0.011 . . . . . A 17 GLU HA . 19218 1
83 . 1 1 9 9 GLU HB2 H 1 1.889 0.011 . . . . . A 17 GLU HB2 . 19218 1
84 . 1 1 9 9 GLU HB3 H 1 2.229 0.008 . . . . . A 17 GLU HB3 . 19218 1
85 . 1 1 9 9 GLU HG2 H 1 2.140 0.008 . . . . . A 17 GLU HG2 . 19218 1
86 . 1 1 9 9 GLU HG3 H 1 2.470 0.009 . . . . . A 17 GLU HG3 . 19218 1
87 . 1 1 9 9 GLU CA C 13 59.350 0.019 . . . . . A 17 GLU CA . 19218 1
88 . 1 1 9 9 GLU CB C 13 29.212 0.055 . . . . . A 17 GLU CB . 19218 1
89 . 1 1 9 9 GLU CG C 13 36.393 0.000 . . . . . A 17 GLU CG . 19218 1
90 . 1 1 9 9 GLU N N 15 115.381 0.051 . . . . . A 17 GLU N . 19218 1
91 . 1 1 10 10 GLU H H 1 7.884 0.011 . . . . . A 18 GLU H . 19218 1
92 . 1 1 10 10 GLU HA H 1 3.857 0.013 . . . . . A 18 GLU HA . 19218 1
93 . 1 1 10 10 GLU HB2 H 1 2.106 0.012 . . . . . A 18 GLU HB2 . 19218 1
94 . 1 1 10 10 GLU HB3 H 1 2.106 0.012 . . . . . A 18 GLU HB3 . 19218 1
95 . 1 1 10 10 GLU HG2 H 1 2.111 0.008 . . . . . A 18 GLU HG2 . 19218 1
96 . 1 1 10 10 GLU HG3 H 1 2.362 0.009 . . . . . A 18 GLU HG3 . 19218 1
97 . 1 1 10 10 GLU CA C 13 59.105 0.000 . . . . . A 18 GLU CA . 19218 1
98 . 1 1 10 10 GLU CB C 13 29.236 0.083 . . . . . A 18 GLU CB . 19218 1
99 . 1 1 10 10 GLU CG C 13 35.787 0.000 . . . . . A 18 GLU CG . 19218 1
100 . 1 1 10 10 GLU N N 15 118.231 0.093 . . . . . A 18 GLU N . 19218 1
101 . 1 1 11 11 MET H H 1 8.384 0.011 . . . . . A 19 MET H . 19218 1
102 . 1 1 11 11 MET HA H 1 3.893 0.016 . . . . . A 19 MET HA . 19218 1
103 . 1 1 11 11 MET HB2 H 1 2.467 0.008 . . . . . A 19 MET HB2 . 19218 1
104 . 1 1 11 11 MET HB3 H 1 2.467 0.008 . . . . . A 19 MET HB3 . 19218 1
105 . 1 1 11 11 MET HG2 H 1 2.729 0.009 . . . . . A 19 MET HG2 . 19218 1
106 . 1 1 11 11 MET HG3 H 1 2.729 0.009 . . . . . A 19 MET HG3 . 19218 1
107 . 1 1 11 11 MET HE1 H 1 1.226 0.008 . . . . . A 19 MET HE1 . 19218 1
108 . 1 1 11 11 MET HE2 H 1 1.226 0.008 . . . . . A 19 MET HE2 . 19218 1
109 . 1 1 11 11 MET HE3 H 1 1.226 0.008 . . . . . A 19 MET HE3 . 19218 1
110 . 1 1 11 11 MET CA C 13 60.090 0.038 . . . . . A 19 MET CA . 19218 1
111 . 1 1 11 11 MET CB C 13 33.764 0.038 . . . . . A 19 MET CB . 19218 1
112 . 1 1 11 11 MET CG C 13 33.021 0.000 . . . . . A 19 MET CG . 19218 1
113 . 1 1 11 11 MET N N 15 119.064 0.096 . . . . . A 19 MET N . 19218 1
114 . 1 1 12 12 ILE H H 1 7.472 0.011 . . . . . A 20 ILE H . 19218 1
115 . 1 1 12 12 ILE HA H 1 3.822 0.010 . . . . . A 20 ILE HA . 19218 1
116 . 1 1 12 12 ILE HB H 1 1.860 0.014 . . . . . A 20 ILE HB . 19218 1
117 . 1 1 12 12 ILE HG12 H 1 1.223 0.012 . . . . . A 20 ILE HG12 . 19218 1
118 . 1 1 12 12 ILE HG13 H 1 1.444 0.016 . . . . . A 20 ILE HG13 . 19218 1
119 . 1 1 12 12 ILE HG21 H 1 0.523 0.011 . . . . . A 20 ILE HG21 . 19218 1
120 . 1 1 12 12 ILE HG22 H 1 0.523 0.011 . . . . . A 20 ILE HG22 . 19218 1
121 . 1 1 12 12 ILE HG23 H 1 0.523 0.011 . . . . . A 20 ILE HG23 . 19218 1
122 . 1 1 12 12 ILE HD11 H 1 0.656 0.013 . . . . . A 20 ILE HD11 . 19218 1
123 . 1 1 12 12 ILE HD12 H 1 0.656 0.013 . . . . . A 20 ILE HD12 . 19218 1
124 . 1 1 12 12 ILE HD13 H 1 0.656 0.013 . . . . . A 20 ILE HD13 . 19218 1
125 . 1 1 12 12 ILE CA C 13 63.650 0.070 . . . . . A 20 ILE CA . 19218 1
126 . 1 1 12 12 ILE CB C 13 36.558 0.085 . . . . . A 20 ILE CB . 19218 1
127 . 1 1 12 12 ILE CG1 C 13 25.703 0.064 . . . . . A 20 ILE CG1 . 19218 1
128 . 1 1 12 12 ILE CG2 C 13 17.784 0.000 . . . . . A 20 ILE CG2 . 19218 1
129 . 1 1 12 12 ILE CD1 C 13 14.181 0.000 . . . . . A 20 ILE CD1 . 19218 1
130 . 1 1 12 12 ILE N N 15 111.356 0.062 . . . . . A 20 ILE N . 19218 1
131 . 1 1 13 13 LYS H H 1 7.356 0.011 . . . . . A 21 LYS H . 19218 1
132 . 1 1 13 13 LYS HA H 1 4.051 0.008 . . . . . A 21 LYS HA . 19218 1
133 . 1 1 13 13 LYS HB2 H 1 1.753 0.009 . . . . . A 21 LYS HB2 . 19218 1
134 . 1 1 13 13 LYS HB3 H 1 1.753 0.009 . . . . . A 21 LYS HB3 . 19218 1
135 . 1 1 13 13 LYS HG2 H 1 1.335 0.006 . . . . . A 21 LYS HG2 . 19218 1
136 . 1 1 13 13 LYS HG3 H 1 1.335 0.006 . . . . . A 21 LYS HG3 . 19218 1
137 . 1 1 13 13 LYS HD2 H 1 1.552 0.016 . . . . . A 21 LYS HD2 . 19218 1
138 . 1 1 13 13 LYS HD3 H 1 1.552 0.016 . . . . . A 21 LYS HD3 . 19218 1
139 . 1 1 13 13 LYS HE2 H 1 2.852 0.007 . . . . . A 21 LYS HE2 . 19218 1
140 . 1 1 13 13 LYS HE3 H 1 2.852 0.007 . . . . . A 21 LYS HE3 . 19218 1
141 . 1 1 13 13 LYS CA C 13 57.686 0.042 . . . . . A 21 LYS CA . 19218 1
142 . 1 1 13 13 LYS CB C 13 32.295 0.078 . . . . . A 21 LYS CB . 19218 1
143 . 1 1 13 13 LYS CG C 13 25.073 0.000 . . . . . A 21 LYS CG . 19218 1
144 . 1 1 13 13 LYS CD C 13 28.808 0.000 . . . . . A 21 LYS CD . 19218 1
145 . 1 1 13 13 LYS CE C 13 41.730 0.000 . . . . . A 21 LYS CE . 19218 1
146 . 1 1 13 13 LYS N N 15 119.838 0.082 . . . . . A 21 LYS N . 19218 1
147 . 1 1 14 14 SER H H 1 7.420 0.011 . . . . . A 22 SER H . 19218 1
148 . 1 1 14 14 SER HA H 1 4.142 0.015 . . . . . A 22 SER HA . 19218 1
149 . 1 1 14 14 SER HB2 H 1 3.366 0.016 . . . . . A 22 SER HB2 . 19218 1
150 . 1 1 14 14 SER HB3 H 1 3.419 0.018 . . . . . A 22 SER HB3 . 19218 1
151 . 1 1 14 14 SER CA C 13 59.093 0.063 . . . . . A 22 SER CA . 19218 1
152 . 1 1 14 14 SER CB C 13 63.622 0.029 . . . . . A 22 SER CB . 19218 1
153 . 1 1 14 14 SER N N 15 111.769 0.052 . . . . . A 22 SER N . 19218 1
154 . 1 1 15 15 HIS H H 1 6.849 0.012 . . . . . A 23 HIS H . 19218 1
155 . 1 1 15 15 HIS HA H 1 5.082 0.015 . . . . . A 23 HIS HA . 19218 1
156 . 1 1 15 15 HIS HB2 H 1 3.089 0.010 . . . . . A 23 HIS HB2 . 19218 1
157 . 1 1 15 15 HIS HB3 H 1 3.213 0.018 . . . . . A 23 HIS HB3 . 19218 1
158 . 1 1 15 15 HIS CA C 13 51.899 0.000 . . . . . A 23 HIS CA . 19218 1
159 . 1 1 15 15 HIS CB C 13 29.480 0.000 . . . . . A 23 HIS CB . 19218 1
160 . 1 1 15 15 HIS N N 15 117.400 0.056 . . . . . A 23 HIS N . 19218 1
161 . 1 1 16 16 PRO HA H 1 4.071 0.014 . . . . . A 24 PRO HA . 19218 1
162 . 1 1 16 16 PRO HB2 H 1 2.059 0.010 . . . . . A 24 PRO HB2 . 19218 1
163 . 1 1 16 16 PRO HB3 H 1 1.197 0.010 . . . . . A 24 PRO HB3 . 19218 1
164 . 1 1 16 16 PRO HG2 H 1 1.895 0.016 . . . . . A 24 PRO HG2 . 19218 1
165 . 1 1 16 16 PRO HG3 H 1 1.953 0.009 . . . . . A 24 PRO HG3 . 19218 1
166 . 1 1 16 16 PRO HD2 H 1 3.549 0.007 . . . . . A 24 PRO HD2 . 19218 1
167 . 1 1 16 16 PRO HD3 H 1 3.897 0.008 . . . . . A 24 PRO HD3 . 19218 1
168 . 1 1 16 16 PRO CA C 13 64.797 0.032 . . . . . A 24 PRO CA . 19218 1
169 . 1 1 16 16 PRO CB C 13 31.703 0.112 . . . . . A 24 PRO CB . 19218 1
170 . 1 1 16 16 PRO CG C 13 27.064 0.000 . . . . . A 24 PRO CG . 19218 1
171 . 1 1 16 16 PRO CD C 13 50.741 0.000 . . . . . A 24 PRO CD . 19218 1
172 . 1 1 17 17 TYR H H 1 7.830 0.010 . . . . . A 25 TYR H . 19218 1
173 . 1 1 17 17 TYR HA H 1 4.998 0.010 . . . . . A 25 TYR HA . 19218 1
174 . 1 1 17 17 TYR HB2 H 1 2.219 0.011 . . . . . A 25 TYR HB2 . 19218 1
175 . 1 1 17 17 TYR HB3 H 1 3.162 0.013 . . . . . A 25 TYR HB3 . 19218 1
176 . 1 1 17 17 TYR HD1 H 1 6.859 0.007 . . . . . A 25 TYR HD1 . 19218 1
177 . 1 1 17 17 TYR HD2 H 1 6.859 0.007 . . . . . A 25 TYR HD2 . 19218 1
178 . 1 1 17 17 TYR HE1 H 1 6.560 0.008 . . . . . A 25 TYR HE1 . 19218 1
179 . 1 1 17 17 TYR HE2 H 1 6.560 0.008 . . . . . A 25 TYR HE2 . 19218 1
180 . 1 1 17 17 TYR CA C 13 55.989 0.063 . . . . . A 25 TYR CA . 19218 1
181 . 1 1 17 17 TYR CB C 13 38.525 0.078 . . . . . A 25 TYR CB . 19218 1
182 . 1 1 17 17 TYR N N 15 113.093 0.062 . . . . . A 25 TYR N . 19218 1
183 . 1 1 18 18 PHE H H 1 9.123 0.010 . . . . . A 26 PHE H . 19218 1
184 . 1 1 18 18 PHE HA H 1 5.315 0.017 . . . . . A 26 PHE HA . 19218 1
185 . 1 1 18 18 PHE HB2 H 1 3.091 0.015 . . . . . A 26 PHE HB2 . 19218 1
186 . 1 1 18 18 PHE HB3 H 1 3.091 0.015 . . . . . A 26 PHE HB3 . 19218 1
187 . 1 1 18 18 PHE HD1 H 1 6.987 0.010 . . . . . A 26 PHE HD1 . 19218 1
188 . 1 1 18 18 PHE HD2 H 1 6.987 0.010 . . . . . A 26 PHE HD2 . 19218 1
189 . 1 1 18 18 PHE HE1 H 1 6.853 0.001 . . . . . A 26 PHE HE1 . 19218 1
190 . 1 1 18 18 PHE HE2 H 1 6.853 0.001 . . . . . A 26 PHE HE2 . 19218 1
191 . 1 1 18 18 PHE HZ H 1 7.148 0.003 . . . . . A 26 PHE HZ . 19218 1
192 . 1 1 18 18 PHE CA C 13 56.685 0.108 . . . . . A 26 PHE CA . 19218 1
193 . 1 1 18 18 PHE CB C 13 42.995 0.041 . . . . . A 26 PHE CB . 19218 1
194 . 1 1 18 18 PHE N N 15 127.175 0.066 . . . . . A 26 PHE N . 19218 1
195 . 1 1 19 19 GLN H H 1 8.452 0.011 . . . . . A 27 GLN H . 19218 1
196 . 1 1 19 19 GLN HA H 1 5.340 0.013 . . . . . A 27 GLN HA . 19218 1
197 . 1 1 19 19 GLN HB2 H 1 1.585 0.013 . . . . . A 27 GLN HB2 . 19218 1
198 . 1 1 19 19 GLN HB3 H 1 1.585 0.013 . . . . . A 27 GLN HB3 . 19218 1
199 . 1 1 19 19 GLN HG2 H 1 1.752 0.005 . . . . . A 27 GLN HG2 . 19218 1
200 . 1 1 19 19 GLN HG3 H 1 1.752 0.005 . . . . . A 27 GLN HG3 . 19218 1
201 . 1 1 19 19 GLN CA C 13 53.369 0.055 . . . . . A 27 GLN CA . 19218 1
202 . 1 1 19 19 GLN CB C 13 34.871 0.106 . . . . . A 27 GLN CB . 19218 1
203 . 1 1 19 19 GLN N N 15 128.714 0.067 . . . . . A 27 GLN N . 19218 1
204 . 1 1 20 20 LEU H H 1 8.725 0.012 . . . . . A 28 LEU H . 19218 1
205 . 1 1 20 20 LEU HA H 1 4.428 0.016 . . . . . A 28 LEU HA . 19218 1
206 . 1 1 20 20 LEU HB2 H 1 1.740 0.020 . . . . . A 28 LEU HB2 . 19218 1
207 . 1 1 20 20 LEU HB3 H 1 1.740 0.020 . . . . . A 28 LEU HB3 . 19218 1
208 . 1 1 20 20 LEU HG H 1 0.702 0.008 . . . . . A 28 LEU HG . 19218 1
209 . 1 1 20 20 LEU HD11 H 1 0.766 0.019 . . . . . A 28 LEU HD11 . 19218 1
210 . 1 1 20 20 LEU HD12 H 1 0.766 0.019 . . . . . A 28 LEU HD12 . 19218 1
211 . 1 1 20 20 LEU HD13 H 1 0.766 0.019 . . . . . A 28 LEU HD13 . 19218 1
212 . 1 1 20 20 LEU HD21 H 1 0.766 0.019 . . . . . A 28 LEU HD21 . 19218 1
213 . 1 1 20 20 LEU HD22 H 1 0.766 0.019 . . . . . A 28 LEU HD22 . 19218 1
214 . 1 1 20 20 LEU HD23 H 1 0.766 0.019 . . . . . A 28 LEU HD23 . 19218 1
215 . 1 1 20 20 LEU CA C 13 54.917 0.174 . . . . . A 28 LEU CA . 19218 1
216 . 1 1 20 20 LEU CB C 13 42.777 0.136 . . . . . A 28 LEU CB . 19218 1
217 . 1 1 20 20 LEU CG C 13 24.741 0.000 . . . . . A 28 LEU CG . 19218 1
218 . 1 1 20 20 LEU CD1 C 13 22.958 0.000 . . . . . A 28 LEU CD1 . 19218 1
219 . 1 1 20 20 LEU CD2 C 13 22.958 0.000 . . . . . A 28 LEU CD2 . 19218 1
220 . 1 1 20 20 LEU N N 15 130.057 0.077 . . . . . A 28 LEU N . 19218 1
221 . 1 1 21 21 SER H H 1 8.540 0.014 . . . . . A 29 SER H . 19218 1
222 . 1 1 21 21 SER HA H 1 4.807 0.012 . . . . . A 29 SER HA . 19218 1
223 . 1 1 21 21 SER HB2 H 1 3.006 0.011 . . . . . A 29 SER HB2 . 19218 1
224 . 1 1 21 21 SER HB3 H 1 3.178 0.015 . . . . . A 29 SER HB3 . 19218 1
225 . 1 1 21 21 SER CA C 13 56.103 0.068 . . . . . A 29 SER CA . 19218 1
226 . 1 1 21 21 SER CB C 13 68.677 0.212 . . . . . A 29 SER CB . 19218 1
227 . 1 1 21 21 SER N N 15 122.598 0.116 . . . . . A 29 SER N . 19218 1
228 . 1 1 22 22 ALA H H 1 7.215 0.012 . . . . . A 30 ALA H . 19218 1
229 . 1 1 22 22 ALA HA H 1 4.511 0.009 . . . . . A 30 ALA HA . 19218 1
230 . 1 1 22 22 ALA HB1 H 1 0.145 0.010 . . . . . A 30 ALA HB1 . 19218 1
231 . 1 1 22 22 ALA HB2 H 1 0.145 0.010 . . . . . A 30 ALA HB2 . 19218 1
232 . 1 1 22 22 ALA HB3 H 1 0.145 0.010 . . . . . A 30 ALA HB3 . 19218 1
233 . 1 1 22 22 ALA CA C 13 51.223 0.041 . . . . . A 30 ALA CA . 19218 1
234 . 1 1 22 22 ALA CB C 13 21.448 0.105 . . . . . A 30 ALA CB . 19218 1
235 . 1 1 22 22 ALA N N 15 121.919 0.072 . . . . . A 30 ALA N . 19218 1
236 . 1 1 23 23 SER H H 1 8.979 0.016 . . . . . A 31 SER H . 19218 1
237 . 1 1 23 23 SER HA H 1 3.721 0.024 . . . . . A 31 SER HA . 19218 1
238 . 1 1 23 23 SER HB2 H 1 3.965 0.017 . . . . . A 31 SER HB2 . 19218 1
239 . 1 1 23 23 SER HB3 H 1 3.965 0.017 . . . . . A 31 SER HB3 . 19218 1
240 . 1 1 23 23 SER CA C 13 60.666 0.089 . . . . . A 31 SER CA . 19218 1
241 . 1 1 23 23 SER CB C 13 61.979 0.034 . . . . . A 31 SER CB . 19218 1
242 . 1 1 23 23 SER N N 15 121.144 0.076 . . . . . A 31 SER N . 19218 1
243 . 1 1 24 24 TRP H H 1 6.228 0.013 . . . . . A 32 TRP H . 19218 1
244 . 1 1 24 24 TRP HA H 1 4.466 0.013 . . . . . A 32 TRP HA . 19218 1
245 . 1 1 24 24 TRP HB2 H 1 3.077 0.004 . . . . . A 32 TRP HB2 . 19218 1
246 . 1 1 24 24 TRP HB3 H 1 3.649 0.015 . . . . . A 32 TRP HB3 . 19218 1
247 . 1 1 24 24 TRP CA C 13 54.110 0.079 . . . . . A 32 TRP CA . 19218 1
248 . 1 1 24 24 TRP CB C 13 29.431 0.067 . . . . . A 32 TRP CB . 19218 1
249 . 1 1 24 24 TRP N N 15 113.811 0.056 . . . . . A 32 TRP N . 19218 1
250 . 1 1 25 25 CYS H H 1 7.346 0.011 . . . . . A 33 CYS H . 19218 1
251 . 1 1 25 25 CYS HA H 1 4.913 0.013 . . . . . A 33 CYS HA . 19218 1
252 . 1 1 25 25 CYS HB2 H 1 2.019 0.002 . . . . . A 33 CYS HB2 . 19218 1
253 . 1 1 25 25 CYS HB3 H 1 2.650 0.006 . . . . . A 33 CYS HB3 . 19218 1
254 . 1 1 25 25 CYS CA C 13 55.462 0.000 . . . . . A 33 CYS CA . 19218 1
255 . 1 1 25 25 CYS CB C 13 26.864 0.000 . . . . . A 33 CYS CB . 19218 1
256 . 1 1 25 25 CYS N N 15 123.310 0.084 . . . . . A 33 CYS N . 19218 1
257 . 1 1 26 26 PRO HA H 1 4.292 0.019 . . . . . A 34 PRO HA . 19218 1
258 . 1 1 26 26 PRO HB2 H 1 2.474 0.012 . . . . . A 34 PRO HB2 . 19218 1
259 . 1 1 26 26 PRO HB3 H 1 2.079 0.020 . . . . . A 34 PRO HB3 . 19218 1
260 . 1 1 26 26 PRO HG2 H 1 2.210 0.013 . . . . . A 34 PRO HG2 . 19218 1
261 . 1 1 26 26 PRO HG3 H 1 2.210 0.013 . . . . . A 34 PRO HG3 . 19218 1
262 . 1 1 26 26 PRO CA C 13 65.541 0.091 . . . . . A 34 PRO CA . 19218 1
263 . 1 1 26 26 PRO CB C 13 32.213 0.121 . . . . . A 34 PRO CB . 19218 1
264 . 1 1 26 26 PRO CG C 13 27.683 0.000 . . . . . A 34 PRO CG . 19218 1
265 . 1 1 27 27 ASP H H 1 7.757 0.012 . . . . . A 35 ASP H . 19218 1
266 . 1 1 27 27 ASP HA H 1 4.734 0.021 . . . . . A 35 ASP HA . 19218 1
267 . 1 1 27 27 ASP HB2 H 1 2.652 0.022 . . . . . A 35 ASP HB2 . 19218 1
268 . 1 1 27 27 ASP HB3 H 1 2.652 0.022 . . . . . A 35 ASP HB3 . 19218 1
269 . 1 1 27 27 ASP CA C 13 57.682 0.089 . . . . . A 35 ASP CA . 19218 1
270 . 1 1 27 27 ASP CB C 13 41.386 0.057 . . . . . A 35 ASP CB . 19218 1
271 . 1 1 27 27 ASP N N 15 117.958 0.093 . . . . . A 35 ASP N . 19218 1
272 . 1 1 28 28 CYS H H 1 7.621 0.007 . . . . . A 36 CYS H . 19218 1
273 . 1 1 28 28 CYS HA H 1 3.364 0.011 . . . . . A 36 CYS HA . 19218 1
274 . 1 1 28 28 CYS HB2 H 1 2.634 0.006 . . . . . A 36 CYS HB2 . 19218 1
275 . 1 1 28 28 CYS HB3 H 1 3.953 0.010 . . . . . A 36 CYS HB3 . 19218 1
276 . 1 1 28 28 CYS CA C 13 62.714 0.126 . . . . . A 36 CYS CA . 19218 1
277 . 1 1 28 28 CYS CB C 13 27.050 0.139 . . . . . A 36 CYS CB . 19218 1
278 . 1 1 28 28 CYS N N 15 117.708 0.022 . . . . . A 36 CYS N . 19218 1
279 . 1 1 29 29 VAL H H 1 7.400 0.012 . . . . . A 37 VAL H . 19218 1
280 . 1 1 29 29 VAL HA H 1 3.551 0.021 . . . . . A 37 VAL HA . 19218 1
281 . 1 1 29 29 VAL HB H 1 2.138 0.011 . . . . . A 37 VAL HB . 19218 1
282 . 1 1 29 29 VAL HG11 H 1 0.912 0.009 . . . . . A 37 VAL HG11 . 19218 1
283 . 1 1 29 29 VAL HG12 H 1 0.912 0.009 . . . . . A 37 VAL HG12 . 19218 1
284 . 1 1 29 29 VAL HG13 H 1 0.912 0.009 . . . . . A 37 VAL HG13 . 19218 1
285 . 1 1 29 29 VAL HG21 H 1 0.912 0.009 . . . . . A 37 VAL HG21 . 19218 1
286 . 1 1 29 29 VAL HG22 H 1 0.912 0.009 . . . . . A 37 VAL HG22 . 19218 1
287 . 1 1 29 29 VAL HG23 H 1 0.912 0.009 . . . . . A 37 VAL HG23 . 19218 1
288 . 1 1 29 29 VAL CA C 13 66.465 0.426 . . . . . A 37 VAL CA . 19218 1
289 . 1 1 29 29 VAL CB C 13 31.103 0.190 . . . . . A 37 VAL CB . 19218 1
290 . 1 1 29 29 VAL N N 15 122.173 0.091 . . . . . A 37 VAL N . 19218 1
291 . 1 1 30 30 TYR H H 1 7.782 0.014 . . . . . A 38 TYR H . 19218 1
292 . 1 1 30 30 TYR HA H 1 4.201 0.012 . . . . . A 38 TYR HA . 19218 1
293 . 1 1 30 30 TYR HB2 H 1 2.858 0.019 . . . . . A 38 TYR HB2 . 19218 1
294 . 1 1 30 30 TYR HB3 H 1 3.280 0.012 . . . . . A 38 TYR HB3 . 19218 1
295 . 1 1 30 30 TYR HD1 H 1 6.774 0.010 . . . . . A 38 TYR HD1 . 19218 1
296 . 1 1 30 30 TYR HD2 H 1 6.774 0.010 . . . . . A 38 TYR HD2 . 19218 1
297 . 1 1 30 30 TYR HE1 H 1 6.336 0.006 . . . . . A 38 TYR HE1 . 19218 1
298 . 1 1 30 30 TYR HE2 H 1 6.336 0.006 . . . . . A 38 TYR HE2 . 19218 1
299 . 1 1 30 30 TYR CA C 13 60.196 0.027 . . . . . A 38 TYR CA . 19218 1
300 . 1 1 30 30 TYR CB C 13 37.129 0.142 . . . . . A 38 TYR CB . 19218 1
301 . 1 1 30 30 TYR N N 15 119.439 0.117 . . . . . A 38 TYR N . 19218 1
302 . 1 1 31 31 ALA H H 1 7.118 0.013 . . . . . A 39 ALA H . 19218 1
303 . 1 1 31 31 ALA HA H 1 2.836 0.012 . . . . . A 39 ALA HA . 19218 1
304 . 1 1 31 31 ALA HB1 H 1 1.092 0.014 . . . . . A 39 ALA HB1 . 19218 1
305 . 1 1 31 31 ALA HB2 H 1 1.092 0.014 . . . . . A 39 ALA HB2 . 19218 1
306 . 1 1 31 31 ALA HB3 H 1 1.092 0.014 . . . . . A 39 ALA HB3 . 19218 1
307 . 1 1 31 31 ALA CA C 13 55.290 0.038 . . . . . A 39 ALA CA . 19218 1
308 . 1 1 31 31 ALA CB C 13 17.075 0.195 . . . . . A 39 ALA CB . 19218 1
309 . 1 1 31 31 ALA N N 15 123.137 0.105 . . . . . A 39 ALA N . 19218 1
310 . 1 1 32 32 ASN H H 1 7.954 0.012 . . . . . A 40 ASN H . 19218 1
311 . 1 1 32 32 ASN HA H 1 4.434 0.016 . . . . . A 40 ASN HA . 19218 1
312 . 1 1 32 32 ASN HB2 H 1 2.620 0.017 . . . . . A 40 ASN HB2 . 19218 1
313 . 1 1 32 32 ASN HB3 H 1 2.620 0.017 . . . . . A 40 ASN HB3 . 19218 1
314 . 1 1 32 32 ASN CA C 13 55.253 0.078 . . . . . A 40 ASN CA . 19218 1
315 . 1 1 32 32 ASN CB C 13 36.739 0.047 . . . . . A 40 ASN CB . 19218 1
316 . 1 1 32 32 ASN N N 15 113.073 0.073 . . . . . A 40 ASN N . 19218 1
317 . 1 1 33 33 SER H H 1 8.097 0.014 . . . . . A 41 SER H . 19218 1
318 . 1 1 33 33 SER HA H 1 4.166 0.011 . . . . . A 41 SER HA . 19218 1
319 . 1 1 33 33 SER HB2 H 1 3.915 0.014 . . . . . A 41 SER HB2 . 19218 1
320 . 1 1 33 33 SER HB3 H 1 3.949 0.010 . . . . . A 41 SER HB3 . 19218 1
321 . 1 1 33 33 SER CA C 13 61.119 0.185 . . . . . A 41 SER CA . 19218 1
322 . 1 1 33 33 SER CB C 13 62.321 0.050 . . . . . A 41 SER CB . 19218 1
323 . 1 1 33 33 SER N N 15 118.672 0.108 . . . . . A 41 SER N . 19218 1
324 . 1 1 34 34 ILE H H 1 6.995 0.012 . . . . . A 42 ILE H . 19218 1
325 . 1 1 34 34 ILE HA H 1 3.462 0.012 . . . . . A 42 ILE HA . 19218 1
326 . 1 1 34 34 ILE HB H 1 1.388 0.010 . . . . . A 42 ILE HB . 19218 1
327 . 1 1 34 34 ILE HG12 H 1 0.506 0.012 . . . . . A 42 ILE HG12 . 19218 1
328 . 1 1 34 34 ILE HG13 H 1 0.617 0.015 . . . . . A 42 ILE HG13 . 19218 1
329 . 1 1 34 34 ILE HG21 H 1 0.352 0.012 . . . . . A 42 ILE HG21 . 19218 1
330 . 1 1 34 34 ILE HG22 H 1 0.352 0.012 . . . . . A 42 ILE HG22 . 19218 1
331 . 1 1 34 34 ILE HG23 H 1 0.352 0.012 . . . . . A 42 ILE HG23 . 19218 1
332 . 1 1 34 34 ILE HD11 H 1 0.227 0.010 . . . . . A 42 ILE HD11 . 19218 1
333 . 1 1 34 34 ILE HD12 H 1 0.227 0.010 . . . . . A 42 ILE HD12 . 19218 1
334 . 1 1 34 34 ILE HD13 H 1 0.227 0.010 . . . . . A 42 ILE HD13 . 19218 1
335 . 1 1 34 34 ILE CA C 13 62.316 0.065 . . . . . A 42 ILE CA . 19218 1
336 . 1 1 34 34 ILE CB C 13 33.663 0.059 . . . . . A 42 ILE CB . 19218 1
337 . 1 1 34 34 ILE CG1 C 13 26.841 0.000 . . . . . A 42 ILE CG1 . 19218 1
338 . 1 1 34 34 ILE CG2 C 13 18.240 0.000 . . . . . A 42 ILE CG2 . 19218 1
339 . 1 1 34 34 ILE N N 15 126.562 0.060 . . . . . A 42 ILE N . 19218 1
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