Content for NMR-STAR saveframe, "assigned_chem_shift_list"
save_assigned_chem_shift_list
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list
_Assigned_chem_shift_list.Entry_ID 18910
_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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/3zgk/ebi/AVR3a11_shifts_4.txt.csh'
_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 '1H-15N HSQC' 1 $sample_1 solution 18910 1
2 '1H-13C HSQC' 1 $sample_1 solution 18910 1
3 '1H-15N NOESY' 1 $sample_1 solution 18910 1
4 '1H-13C NOESY' 1 $sample_1 solution 18910 1
5 CBCACONH 1 $sample_1 solution 18910 1
6 HNCACB 1 $sample_1 solution 18910 1
7 CCCONH 1 $sample_1 solution 18910 1
8 H(CCO)NH 1 $sample_1 solution 18910 1
9 '1H-15N TOCSY' 1 $sample_1 solution 18910 1
10 'Aromatic 1H-13C TROSY' 1 $sample_1 solution 18910 1
11 hbCBcgcdceHE 1 $sample_1 solution 18910 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 4 4 LEU HA H 1 4.41 . . 1 . 3 . . 4 LEU HA . 18910 1
2 . 1 1 4 4 LEU HB2 H 1 1.65 . . 1 . 4 . . 4 LEU HB2 . 18910 1
3 . 1 1 4 4 LEU HB3 H 1 1.65 . . 1 . 5 . . 4 LEU HB3 . 18910 1
4 . 1 1 4 4 LEU HG H 1 1.65 . . 1 . 6 . . 4 LEU HG . 18910 1
5 . 1 1 4 4 LEU HD11 H 1 0.95 . . 1 . 8 . . 4 LEU HD11 . 18910 1
6 . 1 1 4 4 LEU HD12 H 1 0.95 . . 1 . 8 . . 4 LEU HD12 . 18910 1
7 . 1 1 4 4 LEU HD13 H 1 0.95 . . 1 . 8 . . 4 LEU HD13 . 18910 1
8 . 1 1 4 4 LEU HD21 H 1 0.95 . . 1 . 7 . . 4 LEU HD21 . 18910 1
9 . 1 1 4 4 LEU HD22 H 1 0.95 . . 1 . 7 . . 4 LEU HD22 . 18910 1
10 . 1 1 4 4 LEU HD23 H 1 0.95 . . 1 . 7 . . 4 LEU HD23 . 18910 1
11 . 1 1 4 4 LEU CA C 13 55.43 0.06 . 1 . 1 . . 4 LEU CA . 18910 1
12 . 1 1 4 4 LEU CB C 13 42.45 0.07 . 1 . 2 . . 4 LEU CB . 18910 1
13 . 1 1 5 5 THR H H 1 7.70 . . 1 . 9 . . 5 THR H . 18910 1
14 . 1 1 5 5 THR HA H 1 4.16 . . 1 . 14 . . 5 THR HA . 18910 1
15 . 1 1 5 5 THR HG21 H 1 1.14 . . 1 . 13 . . 5 THR HG21 . 18910 1
16 . 1 1 5 5 THR HG22 H 1 1.14 . . 1 . 13 . . 5 THR HG22 . 18910 1
17 . 1 1 5 5 THR HG23 H 1 1.14 . . 1 . 13 . . 5 THR HG23 . 18910 1
18 . 1 1 5 5 THR CA C 13 63.01 0.09 . 1 . 12 . . 5 THR CA . 18910 1
19 . 1 1 5 5 THR CB C 13 70.77 . . 1 . 11 . . 5 THR CB . 18910 1
20 . 1 1 5 5 THR N N 15 119.85 0.03 . 1 . 10 . . 5 THR N . 18910 1
21 . 1 1 6 6 ASP HB2 H 1 2.83 . . 1 . 17 . . 6 ASP HB2 . 18910 1
22 . 1 1 6 6 ASP HB3 H 1 2.83 . . 1 . 18 . . 6 ASP HB3 . 18910 1
23 . 1 1 6 6 ASP CA C 13 57.87 0.02 . 1 . 15 . . 6 ASP CA . 18910 1
24 . 1 1 6 6 ASP CB C 13 39.34 0.03 . 1 . 16 . . 6 ASP CB . 18910 1
25 . 1 1 7 7 LEU H H 1 7.60 . . 1 . 19 . . 7 LEU H . 18910 1
26 . 1 1 7 7 LEU HA H 1 3.98 . . 1 . 23 . . 7 LEU HA . 18910 1
27 . 1 1 7 7 LEU HB2 H 1 1.66 . . 2 . 25 . . 7 LEU HB2 . 18910 1
28 . 1 1 7 7 LEU HB3 H 1 1.59 0.01 . 2 . 24 . . 7 LEU HB3 . 18910 1
29 . 1 1 7 7 LEU CA C 13 53.95 0.09 . 1 . 21 . . 7 LEU CA . 18910 1
30 . 1 1 7 7 LEU CB C 13 40.50 0.12 . 1 . 22 . . 7 LEU CB . 18910 1
31 . 1 1 7 7 LEU N N 15 112.38 0.03 . 1 . 20 . . 7 LEU N . 18910 1
32 . 1 1 11 11 GLU HA H 1 3.97 0.01 . 1 . 28 . . 11 GLU HA . 18910 1
33 . 1 1 11 11 GLU HB2 H 1 1.81 . . 2 . 33 . . 11 GLU HB2 . 18910 1
34 . 1 1 11 11 GLU HB3 H 1 1.97 . . 2 . 32 . . 11 GLU HB3 . 18910 1
35 . 1 1 11 11 GLU HG2 H 1 2.23 . . 2 . 30 . . 11 GLU HG2 . 18910 1
36 . 1 1 11 11 GLU HG3 H 1 2.03 . . 2 . 31 . . 11 GLU HG3 . 18910 1
37 . 1 1 11 11 GLU CA C 13 59.64 0.02 . 1 . 27 . . 11 GLU CA . 18910 1
38 . 1 1 11 11 GLU CB C 13 29.52 0.02 . 1 . 26 . . 11 GLU CB . 18910 1
39 . 1 1 11 11 GLU CG C 13 36.61 0.02 . 1 . 29 . . 11 GLU CG . 18910 1
40 . 1 1 12 12 LYS H H 1 8.35 0.01 . 1 . 34 . . 12 LYS H . 18910 1
41 . 1 1 12 12 LYS HA H 1 3.07 0.01 . 1 . 38 . . 12 LYS HA . 18910 1
42 . 1 1 12 12 LYS HB2 H 1 1.71 . . 1 . 43 . . 12 LYS HB2 . 18910 1
43 . 1 1 12 12 LYS HB3 H 1 1.71 . . 1 . 42 . . 12 LYS HB3 . 18910 1
44 . 1 1 12 12 LYS HG2 H 1 1.26 0.01 . 1 . 47 . . 12 LYS HG2 . 18910 1
45 . 1 1 12 12 LYS HG3 H 1 1.26 0.01 . 1 . 46 . . 12 LYS HG3 . 18910 1
46 . 1 1 12 12 LYS HD2 H 1 1.44 . . 1 . 45 . . 12 LYS HD2 . 18910 1
47 . 1 1 12 12 LYS HD3 H 1 1.44 . . 1 . 44 . . 12 LYS HD3 . 18910 1
48 . 1 1 12 12 LYS CA C 13 59.90 0.05 . 1 . 37 . . 12 LYS CA . 18910 1
49 . 1 1 12 12 LYS CB C 13 32.29 0.08 . 1 . 36 . . 12 LYS CB . 18910 1
50 . 1 1 12 12 LYS CG C 13 24.44 0.02 . 1 . 41 . . 12 LYS CG . 18910 1
51 . 1 1 12 12 LYS CD C 13 30.52 . . 1 . 40 . . 12 LYS CD . 18910 1
52 . 1 1 12 12 LYS CE C 13 42.37 . . 1 . 39 . . 12 LYS CE . 18910 1
53 . 1 1 12 12 LYS N N 15 118.97 0.04 . 1 . 35 . . 12 LYS N . 18910 1
54 . 1 1 13 13 ALA H H 1 7.52 0.01 . 1 . 48 . . 13 ALA H . 18910 1
55 . 1 1 13 13 ALA HA H 1 4.04 0.01 . 1 . 52 . . 13 ALA HA . 18910 1
56 . 1 1 13 13 ALA HB1 H 1 1.48 . . 1 . 53 . . 13 ALA HB1 . 18910 1
57 . 1 1 13 13 ALA HB2 H 1 1.48 . . 1 . 53 . . 13 ALA HB2 . 18910 1
58 . 1 1 13 13 ALA HB3 H 1 1.48 . . 1 . 53 . . 13 ALA HB3 . 18910 1
59 . 1 1 13 13 ALA CA C 13 54.93 0.06 . 1 . 50 . . 13 ALA CA . 18910 1
60 . 1 1 13 13 ALA CB C 13 18.06 0.14 . 1 . 51 . . 13 ALA CB . 18910 1
61 . 1 1 13 13 ALA N N 15 118.93 0.03 . 1 . 49 . . 13 ALA N . 18910 1
62 . 1 1 14 14 ALA H H 1 7.65 . . 1 . 54 . . 14 ALA H . 18910 1
63 . 1 1 14 14 ALA HA H 1 4.12 . . 1 . 59 . . 14 ALA HA . 18910 1
64 . 1 1 14 14 ALA HB1 H 1 1.52 . . 1 . 58 . . 14 ALA HB1 . 18910 1
65 . 1 1 14 14 ALA HB2 H 1 1.52 . . 1 . 58 . . 14 ALA HB2 . 18910 1
66 . 1 1 14 14 ALA HB3 H 1 1.52 . . 1 . 58 . . 14 ALA HB3 . 18910 1
67 . 1 1 14 14 ALA CA C 13 55.17 0.06 . 1 . 56 . . 14 ALA CA . 18910 1
68 . 1 1 14 14 ALA CB C 13 18.08 0.06 . 1 . 57 . . 14 ALA CB . 18910 1
69 . 1 1 14 14 ALA N N 15 121.77 0.02 . 1 . 55 . . 14 ALA N . 18910 1
70 . 1 1 15 15 VAL H H 1 8.22 . . 1 . 60 . . 15 VAL H . 18910 1
71 . 1 1 15 15 VAL HA H 1 3.69 . . 1 . 64 . . 15 VAL HA . 18910 1
72 . 1 1 15 15 VAL HB H 1 1.47 0.01 . 1 . 67 . . 15 VAL HB . 18910 1
73 . 1 1 15 15 VAL HG11 H 1 0.29 . . 2 . 69 . . 15 VAL HG11 . 18910 1
74 . 1 1 15 15 VAL HG12 H 1 0.29 . . 2 . 69 . . 15 VAL HG12 . 18910 1
75 . 1 1 15 15 VAL HG13 H 1 0.29 . . 2 . 69 . . 15 VAL HG13 . 18910 1
76 . 1 1 15 15 VAL HG21 H 1 0.28 . . 2 . 68 . . 15 VAL HG21 . 18910 1
77 . 1 1 15 15 VAL HG22 H 1 0.28 . . 2 . 68 . . 15 VAL HG22 . 18910 1
78 . 1 1 15 15 VAL HG23 H 1 0.28 . . 2 . 68 . . 15 VAL HG23 . 18910 1
79 . 1 1 15 15 VAL CA C 13 67.26 0.07 . 1 . 63 . . 15 VAL CA . 18910 1
80 . 1 1 15 15 VAL CB C 13 31.14 0.05 . 1 . 62 . . 15 VAL CB . 18910 1
81 . 1 1 15 15 VAL CG1 C 13 23.38 0.05 . 2 . 65 . . 15 VAL CG1 . 18910 1
82 . 1 1 15 15 VAL CG2 C 13 20.98 0.11 . 2 . 66 . . 15 VAL CG2 . 18910 1
83 . 1 1 15 15 VAL N N 15 121.04 0.03 . 1 . 61 . . 15 VAL N . 18910 1
84 . 1 1 16 16 LYS H H 1 8.37 . . 1 . 70 . . 16 LYS H . 18910 1
85 . 1 1 16 16 LYS HA H 1 3.62 . . 1 . 74 . . 16 LYS HA . 18910 1
86 . 1 1 16 16 LYS HB2 H 1 1.73 0.01 . 1 . 84 . . 16 LYS HB2 . 18910 1
87 . 1 1 16 16 LYS HB3 H 1 1.73 0.01 . 1 . 85 . . 16 LYS HB3 . 18910 1
88 . 1 1 16 16 LYS HG2 H 1 0.97 0.02 . 1 . 78 . . 16 LYS HG2 . 18910 1
89 . 1 1 16 16 LYS HG3 H 1 0.97 0.02 . 1 . 79 . . 16 LYS HG3 . 18910 1
90 . 1 1 16 16 LYS HD2 H 1 1.84 0.01 . 1 . 82 . . 16 LYS HD2 . 18910 1
91 . 1 1 16 16 LYS HD3 H 1 1.84 0.01 . 1 . 83 . . 16 LYS HD3 . 18910 1
92 . 1 1 16 16 LYS HE2 H 1 2.68 0.01 . 1 . 75 . . 16 LYS HE2 . 18910 1
93 . 1 1 16 16 LYS HE3 H 1 2.68 0.01 . 1 . 77 . . 16 LYS HE3 . 18910 1
94 . 1 1 16 16 LYS CA C 13 60.86 0.06 . 1 . 72 . . 16 LYS CA . 18910 1
95 . 1 1 16 16 LYS CB C 13 32.31 0.07 . 1 . 73 . . 16 LYS CB . 18910 1
96 . 1 1 16 16 LYS CG C 13 27.23 0.07 . 1 . 80 . . 16 LYS CG . 18910 1
97 . 1 1 16 16 LYS CD C 13 29.56 0.04 . 1 . 81 . . 16 LYS CD . 18910 1
98 . 1 1 16 16 LYS CE C 13 41.06 0.18 . 1 . 76 . . 16 LYS CE . 18910 1
99 . 1 1 16 16 LYS N N 15 119.44 0.02 . 1 . 71 . . 16 LYS N . 18910 1
100 . 1 1 17 17 LYS H H 1 7.93 0.02 . 1 . 86 . . 17 LYS H . 18910 1
101 . 1 1 17 17 LYS HA H 1 4.00 . . 1 . 90 . . 17 LYS HA . 18910 1
102 . 1 1 17 17 LYS HB2 H 1 2.00 0.01 . 1 . 92 . . 17 LYS HB2 . 18910 1
103 . 1 1 17 17 LYS HB3 H 1 2.00 0.01 . 1 . 91 . . 17 LYS HB3 . 18910 1
104 . 1 1 17 17 LYS HG2 H 1 1.44 0.02 . 1 . 97 . . 17 LYS HG2 . 18910 1
105 . 1 1 17 17 LYS HG3 H 1 1.44 0.02 . 1 . 96 . . 17 LYS HG3 . 18910 1
106 . 1 1 17 17 LYS HD2 H 1 1.65 0.01 . 1 . 99 . . 17 LYS HD2 . 18910 1
107 . 1 1 17 17 LYS HD3 H 1 1.65 0.01 . 1 . 98 . . 17 LYS HD3 . 18910 1
108 . 1 1 17 17 LYS CA C 13 60.25 0.13 . 1 . 88 . . 17 LYS CA . 18910 1
109 . 1 1 17 17 LYS CB C 13 32.54 0.17 . 1 . 89 . . 17 LYS CB . 18910 1
110 . 1 1 17 17 LYS CG C 13 25.31 0.01 . 1 . 93 . . 17 LYS CG . 18910 1
111 . 1 1 17 17 LYS CD C 13 29.52 . . 1 . 94 . . 17 LYS CD . 18910 1
112 . 1 1 17 17 LYS CE C 13 42.06 . . 1 . 95 . . 17 LYS CE . 18910 1
113 . 1 1 17 17 LYS N N 15 119.30 0.05 . 1 . 87 . . 17 LYS N . 18910 1
114 . 1 1 18 18 MET H H 1 7.86 0.01 . 1 . 100 . . 18 MET H . 18910 1
115 . 1 1 18 18 MET HA H 1 4.25 . . 1 . 104 . . 18 MET HA . 18910 1
116 . 1 1 18 18 MET HB2 H 1 2.58 . . 2 . 106 . . 18 MET HB2 . 18910 1
117 . 1 1 18 18 MET HB3 H 1 2.66 . . 2 . 105 . . 18 MET HB3 . 18910 1
118 . 1 1 18 18 MET HG2 H 1 3.03 0.01 . 1 . 109 . . 18 MET HG2 . 18910 1
119 . 1 1 18 18 MET HG3 H 1 3.03 0.01 . 1 . 108 . . 18 MET HG3 . 18910 1
120 . 1 1 18 18 MET CA C 13 58.52 0.04 . 1 . 103 . . 18 MET CA . 18910 1
121 . 1 1 18 18 MET CB C 13 34.29 0.08 . 1 . 102 . . 18 MET CB . 18910 1
122 . 1 1 18 18 MET CG C 13 33.44 0.05 . 1 . 107 . . 18 MET CG . 18910 1
123 . 1 1 18 18 MET N N 15 119.40 0.02 . 1 . 101 . . 18 MET N . 18910 1
124 . 1 1 19 19 ALA H H 1 8.87 . . 1 . 110 . . 19 ALA H . 18910 1
125 . 1 1 19 19 ALA HA H 1 4.21 0.01 . 1 . 114 . . 19 ALA HA . 18910 1
126 . 1 1 19 19 ALA HB1 H 1 1.61 . . 1 . 115 . . 19 ALA HB1 . 18910 1
127 . 1 1 19 19 ALA HB2 H 1 1.61 . . 1 . 115 . . 19 ALA HB2 . 18910 1
128 . 1 1 19 19 ALA HB3 H 1 1.61 . . 1 . 115 . . 19 ALA HB3 . 18910 1
129 . 1 1 19 19 ALA CA C 13 55.40 0.07 . 1 . 113 . . 19 ALA CA . 18910 1
130 . 1 1 19 19 ALA CB C 13 19.77 0.11 . 1 . 112 . . 19 ALA CB . 18910 1
131 . 1 1 19 19 ALA N N 15 122.15 0.04 . 1 . 111 . . 19 ALA N . 18910 1
132 . 1 1 20 20 LYS H H 1 8.57 . . 1 . 116 . . 20 LYS H . 18910 1
133 . 1 1 20 20 LYS HA H 1 4.12 . . 1 . 120 . . 20 LYS HA . 18910 1
134 . 1 1 20 20 LYS HB2 H 1 2.01 0.01 . 1 . 121 . . 20 LYS HB2 . 18910 1
135 . 1 1 20 20 LYS HB3 H 1 2.01 0.01 . 1 . 122 . . 20 LYS HB3 . 18910 1
136 . 1 1 20 20 LYS HG2 H 1 1.69 . . 1 . 125 . . 20 LYS HG2 . 18910 1
137 . 1 1 20 20 LYS HG3 H 1 1.69 . . 1 . 127 . . 20 LYS HG3 . 18910 1
138 . 1 1 20 20 LYS HD2 H 1 1.69 . . 1 . 128 . . 20 LYS HD2 . 18910 1
139 . 1 1 20 20 LYS HD3 H 1 1.69 . . 1 . 126 . . 20 LYS HD3 . 18910 1
140 . 1 1 20 20 LYS CA C 13 60.18 0.05 . 1 . 118 . . 20 LYS CA . 18910 1
141 . 1 1 20 20 LYS CB C 13 32.69 0.07 . 1 . 119 . . 20 LYS CB . 18910 1
142 . 1 1 20 20 LYS CG C 13 26.46 . . 1 . 124 . . 20 LYS CG . 18910 1
143 . 1 1 20 20 LYS CD C 13 30.00 . . 1 . 123 . . 20 LYS CD . 18910 1
144 . 1 1 20 20 LYS N N 15 117.09 0.02 . 1 . 117 . . 20 LYS N . 18910 1
145 . 1 1 21 21 ALA H H 1 7.76 . . 1 . 129 . . 21 ALA H . 18910 1
146 . 1 1 21 21 ALA HA H 1 4.20 . . 1 . 133 . . 21 ALA HA . 18910 1
147 . 1 1 21 21 ALA HB1 H 1 1.55 . . 1 . 134 . . 21 ALA HB1 . 18910 1
148 . 1 1 21 21 ALA HB2 H 1 1.55 . . 1 . 134 . . 21 ALA HB2 . 18910 1
149 . 1 1 21 21 ALA HB3 H 1 1.55 . . 1 . 134 . . 21 ALA HB3 . 18910 1
150 . 1 1 21 21 ALA CA C 13 55.16 0.13 . 1 . 132 . . 21 ALA CA . 18910 1
151 . 1 1 21 21 ALA CB C 13 17.61 0.07 . 1 . 131 . . 21 ALA CB . 18910 1
152 . 1 1 21 21 ALA N N 15 122.84 0.02 . 1 . 130 . . 21 ALA N . 18910 1
153 . 1 1 22 22 ILE H H 1 7.64 . . 1 . 135 . . 22 ILE H . 18910 1
154 . 1 1 22 22 ILE HA H 1 3.79 . . 1 . 139 . . 22 ILE HA . 18910 1
155 . 1 1 22 22 ILE HB H 1 1.89 0.01 . 1 . 140 . . 22 ILE HB . 18910 1
156 . 1 1 22 22 ILE HG12 H 1 0.79 0.01 . 1 . 145 . . 22 ILE HG12 . 18910 1
157 . 1 1 22 22 ILE HG13 H 1 0.79 0.01 . 1 . 144 . . 22 ILE HG13 . 18910 1
158 . 1 1 22 22 ILE HG21 H 1 0.78 . . 1 . 147 . . 22 ILE HG21 . 18910 1
159 . 1 1 22 22 ILE HG22 H 1 0.78 . . 1 . 147 . . 22 ILE HG22 . 18910 1
160 . 1 1 22 22 ILE HG23 H 1 0.78 . . 1 . 147 . . 22 ILE HG23 . 18910 1
161 . 1 1 22 22 ILE HD11 H 1 0.49 0.04 . 1 . 146 . . 22 ILE HD11 . 18910 1
162 . 1 1 22 22 ILE HD12 H 1 0.49 0.04 . 1 . 146 . . 22 ILE HD12 . 18910 1
163 . 1 1 22 22 ILE HD13 H 1 0.49 0.04 . 1 . 146 . . 22 ILE HD13 . 18910 1
164 . 1 1 22 22 ILE CA C 13 63.90 0.12 . 1 . 138 . . 22 ILE CA . 18910 1
165 . 1 1 22 22 ILE CB C 13 37.84 0.08 . 1 . 137 . . 22 ILE CB . 18910 1
166 . 1 1 22 22 ILE CG1 C 13 27.65 . . 1 . 141 . . 22 ILE CG1 . 18910 1
167 . 1 1 22 22 ILE CG2 C 13 18.08 0.05 . 1 . 142 . . 22 ILE CG2 . 18910 1
168 . 1 1 22 22 ILE CD1 C 13 14.70 0.1 . 1 . 143 . . 22 ILE CD1 . 18910 1
169 . 1 1 22 22 ILE N N 15 116.80 0.03 . 1 . 136 . . 22 ILE N . 18910 1
170 . 1 1 23 23 MET H H 1 7.74 . . 1 . 148 . . 23 MET H . 18910 1
171 . 1 1 23 23 MET HA H 1 4.11 . . 1 . 152 . . 23 MET HA . 18910 1
172 . 1 1 23 23 MET HB2 H 1 2.22 . . 1 . 153 . . 23 MET HB2 . 18910 1
173 . 1 1 23 23 MET HB3 H 1 2.22 . . 1 . 154 . . 23 MET HB3 . 18910 1
174 . 1 1 23 23 MET HG2 H 1 2.88 0.01 . 1 . 155 . . 23 MET HG2 . 18910 1
175 . 1 1 23 23 MET HG3 H 1 2.88 0.01 . 1 . 156 . . 23 MET HG3 . 18910 1
176 . 1 1 23 23 MET CA C 13 58.26 0.04 . 1 . 151 . . 23 MET CA . 18910 1
177 . 1 1 23 23 MET CB C 13 32.46 0.1 . 1 . 150 . . 23 MET CB . 18910 1
178 . 1 1 23 23 MET CG C 13 32.56 0.01 . 1 . 157 . . 23 MET CG . 18910 1
179 . 1 1 23 23 MET N N 15 118.03 0.02 . 1 . 149 . . 23 MET N . 18910 1
180 . 1 1 24 24 ALA H H 1 7.46 . . 1 . 158 . . 24 ALA H . 18910 1
181 . 1 1 24 24 ALA HA H 1 4.31 . . 1 . 162 . . 24 ALA HA . 18910 1
182 . 1 1 24 24 ALA HB1 H 1 1.48 . . 1 . 163 . . 24 ALA HB1 . 18910 1
183 . 1 1 24 24 ALA HB2 H 1 1.48 . . 1 . 163 . . 24 ALA HB2 . 18910 1
184 . 1 1 24 24 ALA HB3 H 1 1.48 . . 1 . 163 . . 24 ALA HB3 . 18910 1
185 . 1 1 24 24 ALA CA C 13 53.49 0.06 . 1 . 160 . . 24 ALA CA . 18910 1
186 . 1 1 24 24 ALA CB C 13 19.19 0.08 . 1 . 161 . . 24 ALA CB . 18910 1
187 . 1 1 24 24 ALA N N 15 119.07 0.04 . 1 . 159 . . 24 ALA N . 18910 1
188 . 1 1 25 25 ASP H H 1 7.66 . . 1 . 164 . . 25 ASP H . 18910 1
189 . 1 1 25 25 ASP HA H 1 4.95 . . 1 . 168 . . 25 ASP HA . 18910 1
190 . 1 1 25 25 ASP HB2 H 1 2.87 . . 2 . 169 . . 25 ASP HB2 . 18910 1
191 . 1 1 25 25 ASP HB3 H 1 2.53 . . 2 . 170 . . 25 ASP HB3 . 18910 1
192 . 1 1 25 25 ASP CA C 13 51.07 0.03 . 1 . 166 . . 25 ASP CA . 18910 1
193 . 1 1 25 25 ASP CB C 13 40.96 0.17 . 1 . 167 . . 25 ASP CB . 18910 1
194 . 1 1 25 25 ASP N N 15 115.23 0.01 . 1 . 165 . . 25 ASP N . 18910 1
195 . 1 1 26 26 PRO HA H 1 4.52 . . 1 . 175 . . 26 PRO HA . 18910 1
196 . 1 1 26 26 PRO HB2 H 1 2.05 0.02 . 2 . 177 . . 26 PRO HB2 . 18910 1
197 . 1 1 26 26 PRO HB3 H 1 2.48 . . 2 . 176 . . 26 PRO HB3 . 18910 1
198 . 1 1 26 26 PRO CA C 13 64.29 . . 1 . 171 . . 26 PRO CA . 18910 1
199 . 1 1 26 26 PRO CB C 13 32.06 0.14 . 1 . 172 . . 26 PRO CB . 18910 1
200 . 1 1 26 26 PRO CG C 13 26.87 . . 1 . 173 . . 26 PRO CG . 18910 1
201 . 1 1 26 26 PRO CD C 13 50.56 . . 1 . 174 . . 26 PRO CD . 18910 1
202 . 1 1 27 27 SER H H 1 8.12 0.01 . 1 . 178 . . 27 SER H . 18910 1
203 . 1 1 27 27 SER HA H 1 4.33 0.01 . 1 . 182 . . 27 SER HA . 18910 1
204 . 1 1 27 27 SER HB2 H 1 3.96 . . 2 . 184 . . 27 SER HB2 . 18910 1
205 . 1 1 27 27 SER HB3 H 1 4.03 . . 2 . 183 . . 27 SER HB3 . 18910 1
206 . 1 1 27 27 SER CA C 13 61.35 0.02 . 1 . 181 . . 27 SER CA . 18910 1
207 . 1 1 27 27 SER CB C 13 62.71 0.11 . 1 . 180 . . 27 SER CB . 18910 1
208 . 1 1 27 27 SER N N 15 115.03 0.02 . 1 . 179 . . 27 SER N . 18910 1
209 . 1 1 28 28 LYS H H 1 7.88 . . 1 . 185 . . 28 LYS H . 18910 1
210 . 1 1 28 28 LYS HA H 1 4.31 . . 1 . 189 . . 28 LYS HA . 18910 1
211 . 1 1 28 28 LYS HB2 H 1 1.90 0.01 . 1 . 190 . . 28 LYS HB2 . 18910 1
212 . 1 1 28 28 LYS HB3 H 1 1.90 0.01 . 1 . 191 . . 28 LYS HB3 . 18910 1
213 . 1 1 28 28 LYS HG2 H 1 1.39 . . 1 . 195 . . 28 LYS HG2 . 18910 1
214 . 1 1 28 28 LYS HG3 H 1 1.39 . . 1 . 194 . . 28 LYS HG3 . 18910 1
215 . 1 1 28 28 LYS HD2 H 1 1.62 . . 1 . 193 . . 28 LYS HD2 . 18910 1
216 . 1 1 28 28 LYS HD3 H 1 1.62 . . 1 . 192 . . 28 LYS HD3 . 18910 1
217 . 1 1 28 28 LYS CA C 13 56.09 0.11 . 1 . 188 . . 28 LYS CA . 18910 1
218 . 1 1 28 28 LYS CB C 13 32.79 0.11 . 1 . 187 . . 28 LYS CB . 18910 1
219 . 1 1 28 28 LYS N N 15 121.50 0.02 . 1 . 186 . . 28 LYS N . 18910 1
220 . 1 1 29 29 ALA H H 1 7.28 . . 1 . 196 . . 29 ALA H . 18910 1
221 . 1 1 29 29 ALA HA H 1 3.13 0.01 . 1 . 201 . . 29 ALA HA . 18910 1
222 . 1 1 29 29 ALA HB1 H 1 1.20 . . 1 . 200 . . 29 ALA HB1 . 18910 1
223 . 1 1 29 29 ALA HB2 H 1 1.20 . . 1 . 200 . . 29 ALA HB2 . 18910 1
224 . 1 1 29 29 ALA HB3 H 1 1.20 . . 1 . 200 . . 29 ALA HB3 . 18910 1
225 . 1 1 29 29 ALA CA C 13 55.86 0.03 . 1 . 199 . . 29 ALA CA . 18910 1
226 . 1 1 29 29 ALA CB C 13 18.70 0.07 . 1 . 198 . . 29 ALA CB . 18910 1
227 . 1 1 29 29 ALA N N 15 120.39 0.03 . 1 . 197 . . 29 ALA N . 18910 1
228 . 1 1 30 30 ASP H H 1 8.14 . . 1 . 202 . . 30 ASP H . 18910 1
229 . 1 1 30 30 ASP HA H 1 4.05 . . 1 . 206 . . 30 ASP HA . 18910 1
230 . 1 1 30 30 ASP HB2 H 1 2.69 0.02 . 2 . 207 . . 30 ASP HB2 . 18910 1
231 . 1 1 30 30 ASP HB3 H 1 2.66 . . 2 . 208 . . 30 ASP HB3 . 18910 1
232 . 1 1 30 30 ASP CA C 13 58.05 0.08 . 1 . 204 . . 30 ASP CA . 18910 1
233 . 1 1 30 30 ASP CB C 13 40.00 0.05 . 1 . 205 . . 30 ASP CB . 18910 1
234 . 1 1 30 30 ASP N N 15 115.04 0.06 . 1 . 203 . . 30 ASP N . 18910 1
235 . 1 1 31 31 ASP H H 1 7.68 . . 1 . 209 . . 31 ASP H . 18910 1
236 . 1 1 31 31 ASP HA H 1 4.24 . . 1 . 213 . . 31 ASP HA . 18910 1
237 . 1 1 31 31 ASP HB2 H 1 2.61 . . 2 . 214 . . 31 ASP HB2 . 18910 1
238 . 1 1 31 31 ASP HB3 H 1 2.51 . . 2 . 215 . . 31 ASP HB3 . 18910 1
239 . 1 1 31 31 ASP CA C 13 57.04 0.02 . 1 . 212 . . 31 ASP CA . 18910 1
240 . 1 1 31 31 ASP CB C 13 41.38 0.04 . 1 . 211 . . 31 ASP CB . 18910 1
241 . 1 1 31 31 ASP N N 15 118.15 0.01 . 1 . 210 . . 31 ASP N . 18910 1
242 . 1 1 32 32 VAL H H 1 7.14 . . 1 . 216 . . 32 VAL H . 18910 1
243 . 1 1 32 32 VAL HA H 1 3.06 . . 1 . 221 . . 32 VAL HA . 18910 1
244 . 1 1 32 32 VAL HB H 1 1.26 0.01 . 1 . 220 . . 32 VAL HB . 18910 1
245 . 1 1 32 32 VAL HG11 H 1 0.69 0.01 . 2 . 222 . . 32 VAL HG11 . 18910 1
246 . 1 1 32 32 VAL HG12 H 1 0.69 0.01 . 2 . 222 . . 32 VAL HG12 . 18910 1
247 . 1 1 32 32 VAL HG13 H 1 0.69 0.01 . 2 . 222 . . 32 VAL HG13 . 18910 1
248 . 1 1 32 32 VAL HG21 H 1 -0.50 . . 2 . 223 . . 32 VAL HG21 . 18910 1
249 . 1 1 32 32 VAL HG22 H 1 -0.50 . . 2 . 223 . . 32 VAL HG22 . 18910 1
250 . 1 1 32 32 VAL HG23 H 1 -0.50 . . 2 . 223 . . 32 VAL HG23 . 18910 1
251 . 1 1 32 32 VAL CA C 13 66.32 0.05 . 1 . 218 . . 32 VAL CA . 18910 1
252 . 1 1 32 32 VAL CB C 13 31.02 0.04 . 1 . 219 . . 32 VAL CB . 18910 1
253 . 1 1 32 32 VAL CG1 C 13 22.73 0.07 . 2 . 224 . . 32 VAL CG1 . 18910 1
254 . 1 1 32 32 VAL CG2 C 13 21.27 0.06 . 2 . 225 . . 32 VAL CG2 . 18910 1
255 . 1 1 32 32 VAL N N 15 120.15 0.02 . 1 . 217 . . 32 VAL N . 18910 1
256 . 1 1 33 33 TYR H H 1 8.38 . . 1 . 226 . . 33 TYR H . 18910 1
257 . 1 1 33 33 TYR HA H 1 4.16 0.01 . 1 . 230 . . 33 TYR HA . 18910 1
258 . 1 1 33 33 TYR HB2 H 1 2.06 0.01 . 2 . 232 . . 33 TYR HB2 . 18910 1
259 . 1 1 33 33 TYR HB3 H 1 2.37 . . 2 . 231 . . 33 TYR HB3 . 18910 1
260 . 1 1 33 33 TYR HD1 H 1 6.67 . . 3 . 239 . . 33 TYR HD1 . 18910 1
261 . 1 1 33 33 TYR HD2 H 1 6.67 . . 3 . 240 . . 33 TYR HD2 . 18910 1
262 . 1 1 33 33 TYR HE1 H 1 6.73 . . 3 . 235 . . 33 TYR HE1 . 18910 1
263 . 1 1 33 33 TYR HE2 H 1 6.73 . . 3 . 236 . . 33 TYR HE2 . 18910 1
264 . 1 1 33 33 TYR CA C 13 57.42 0.06 . 1 . 228 . . 33 TYR CA . 18910 1
265 . 1 1 33 33 TYR CB C 13 34.73 0.07 . 1 . 229 . . 33 TYR CB . 18910 1
266 . 1 1 33 33 TYR CD1 C 13 131.59 . . 3 . 233 . . 33 TYR CD1 . 18910 1
267 . 1 1 33 33 TYR CD2 C 13 131.59 . . 3 . 234 . . 33 TYR CD2 . 18910 1
268 . 1 1 33 33 TYR CE1 C 13 119.37 . . 3 . 237 . . 33 TYR CE1 . 18910 1
269 . 1 1 33 33 TYR CE2 C 13 119.37 . . 3 . 238 . . 33 TYR CE2 . 18910 1
270 . 1 1 33 33 TYR N N 15 117.79 0.02 . 1 . 227 . . 33 TYR N . 18910 1
271 . 1 1 34 34 GLN H H 1 7.91 . . 1 . 241 . . 34 GLN H . 18910 1
272 . 1 1 34 34 GLN HA H 1 4.13 . . 1 . 246 . . 34 GLN HA . 18910 1
273 . 1 1 34 34 GLN HB2 H 1 2.41 . . 2 . 248 . . 34 GLN HB2 . 18910 1
274 . 1 1 34 34 GLN HB3 H 1 2.15 0.01 . 2 . 247 . . 34 GLN HB3 . 18910 1
275 . 1 1 34 34 GLN HG2 H 1 2.49 . . 1 . 249 . . 34 GLN HG2 . 18910 1
276 . 1 1 34 34 GLN HG3 H 1 2.49 . . 1 . 250 . . 34 GLN HG3 . 18910 1
277 . 1 1 34 34 GLN HE21 H 1 7.80 . . 1 . 251 . . 34 GLN HE21 . 18910 1
278 . 1 1 34 34 GLN HE22 H 1 6.91 . . 1 . 253 . . 34 GLN HE22 . 18910 1
279 . 1 1 34 34 GLN CA C 13 59.07 0.03 . 1 . 243 . . 34 GLN CA . 18910 1
280 . 1 1 34 34 GLN CB C 13 28.28 0.02 . 1 . 244 . . 34 GLN CB . 18910 1
281 . 1 1 34 34 GLN CG C 13 33.88 0.08 . 1 . 245 . . 34 GLN CG . 18910 1
282 . 1 1 34 34 GLN N N 15 117.78 0.02 . 1 . 242 . . 34 GLN N . 18910 1
283 . 1 1 34 34 GLN NE2 N 15 115.22 . . 1 . 252 . . 34 GLN NE2 . 18910 1
284 . 1 1 35 35 LYS H H 1 7.42 . . 1 . 254 . . 35 LYS H . 18910 1
285 . 1 1 35 35 LYS HA H 1 4.16 . . 1 . 258 . . 35 LYS HA . 18910 1
286 . 1 1 35 35 LYS HB2 H 1 1.87 . . 2 . 260 . . 35 LYS HB2 . 18910 1
287 . 1 1 35 35 LYS HB3 H 1 1.99 . . 2 . 261 . . 35 LYS HB3 . 18910 1
288 . 1 1 35 35 LYS HD2 H 1 1.53 0.01 . 1 . 266 . . 35 LYS HD2 . 18910 1
289 . 1 1 35 35 LYS HD3 H 1 1.53 0.01 . 1 . 267 . . 35 LYS HD3 . 18910 1
290 . 1 1 35 35 LYS HE2 H 1 2.98 . . 1 . 263 . . 35 LYS HE2 . 18910 1
291 . 1 1 35 35 LYS HE3 H 1 2.98 . . 1 . 262 . . 35 LYS HE3 . 18910 1
292 . 1 1 35 35 LYS CA C 13 59.54 0.1 . 1 . 256 . . 35 LYS CA . 18910 1
293 . 1 1 35 35 LYS CB C 13 31.87 0.07 . 1 . 257 . . 35 LYS CB . 18910 1
294 . 1 1 35 35 LYS CG C 13 25.63 . . 1 . 265 . . 35 LYS CG . 18910 1
295 . 1 1 35 35 LYS CD C 13 28.98 0.08 . 1 . 264 . . 35 LYS CD . 18910 1
296 . 1 1 35 35 LYS CE C 13 42.19 0.04 . 1 . 259 . . 35 LYS CE . 18910 1
297 . 1 1 35 35 LYS N N 15 120.03 0.02 . 1 . 255 . . 35 LYS N . 18910 1
298 . 1 1 36 36 TRP H H 1 8.59 . . 1 . 270 . . 36 TRP H . 18910 1
299 . 1 1 36 36 TRP HA H 1 4.42 . . 1 . 274 . . 36 TRP HA . 18910 1
300 . 1 1 36 36 TRP HB2 H 1 3.61 0.01 . 2 . 275 . . 36 TRP HB2 . 18910 1
301 . 1 1 36 36 TRP HB3 H 1 2.95 0.01 . 2 . 276 . . 36 TRP HB3 . 18910 1
302 . 1 1 36 36 TRP HD1 H 1 6.91 . . 1 . 281 . . 36 TRP HD1 . 18910 1
303 . 1 1 36 36 TRP HE1 H 1 9.62 . . 1 . 268 . . 36 TRP HE1 . 18910 1
304 . 1 1 36 36 TRP HZ2 H 1 7.42 0.01 . 1 . 277 . . 36 TRP HZ2 . 18910 1
305 . 1 1 36 36 TRP HZ3 H 1 6.78 . . 1 . 278 . . 36 TRP HZ3 . 18910 1
306 . 1 1 36 36 TRP CA C 13 58.04 0.09 . 1 . 272 . . 36 TRP CA . 18910 1
307 . 1 1 36 36 TRP CB C 13 29.46 0.09 . 1 . 273 . . 36 TRP CB . 18910 1
308 . 1 1 36 36 TRP CD1 C 13 123.66 . . 1 . 282 . . 36 TRP CD1 . 18910 1
309 . 1 1 36 36 TRP CZ2 C 13 115.02 . . 1 . 280 . . 36 TRP CZ2 . 18910 1
310 . 1 1 36 36 TRP CZ3 C 13 122.95 . . 1 . 279 . . 36 TRP CZ3 . 18910 1
311 . 1 1 36 36 TRP N N 15 121.77 0.03 . 1 . 271 . . 36 TRP N . 18910 1
312 . 1 1 36 36 TRP NE1 N 15 125.19 0.01 . 1 . 269 . . 36 TRP NE1 . 18910 1
313 . 1 1 37 37 ALA H H 1 9.12 . . 1 . 283 . . 37 ALA H . 18910 1
314 . 1 1 37 37 ALA HA H 1 4.48 0.01 . 1 . 288 . . 37 ALA HA . 18910 1
315 . 1 1 37 37 ALA HB1 H 1 1.81 . . 1 . 287 . . 37 ALA HB1 . 18910 1
316 . 1 1 37 37 ALA HB2 H 1 1.81 . . 1 . 287 . . 37 ALA HB2 . 18910 1
317 . 1 1 37 37 ALA HB3 H 1 1.81 . . 1 . 287 . . 37 ALA HB3 . 18910 1
318 . 1 1 37 37 ALA CA C 13 55.48 0.05 . 1 . 286 . . 37 ALA CA . 18910 1
319 . 1 1 37 37 ALA CB C 13 18.04 0.04 . 1 . 285 . . 37 ALA CB . 18910 1
320 . 1 1 37 37 ALA N N 15 123.89 0.01 . 1 . 284 . . 37 ALA N . 18910 1
321 . 1 1 38 38 ASP H H 1 8.86 . . 1 . 289 . . 38 ASP H . 18910 1
322 . 1 1 38 38 ASP HA H 1 4.46 0.01 . 1 . 293 . . 38 ASP HA . 18910 1
323 . 1 1 38 38 ASP HB2 H 1 2.94 0.01 . 2 . 294 . . 38 ASP HB2 . 18910 1
324 . 1 1 38 38 ASP HB3 H 1 2.72 0.01 . 2 . 295 . . 38 ASP HB3 . 18910 1
325 . 1 1 38 38 ASP CA C 13 57.25 0.02 . 1 . 291 . . 38 ASP CA . 18910 1
326 . 1 1 38 38 ASP CB C 13 40.53 0.04 . 1 . 292 . . 38 ASP CB . 18910 1
327 . 1 1 38 38 ASP N N 15 121.84 0.04 . 1 . 290 . . 38 ASP N . 18910 1
328 . 1 1 39 39 LYS H H 1 7.66 . . 1 . 296 . . 39 LYS H . 18910 1
329 . 1 1 39 39 LYS HA H 1 4.06 . . 1 . 300 . . 39 LYS HA . 18910 1
330 . 1 1 39 39 LYS HB2 H 1 1.37 . . 2 . 301 . . 39 LYS HB2 . 18910 1
331 . 1 1 39 39 LYS HB3 H 1 1.25 . . 2 . 302 . . 39 LYS HB3 . 18910 1
332 . 1 1 39 39 LYS HG2 H 1 1.36 . . 1 . 308 . . 39 LYS HG2 . 18910 1
333 . 1 1 39 39 LYS HG3 H 1 1.36 . . 1 . 309 . . 39 LYS HG3 . 18910 1
334 . 1 1 39 39 LYS HE2 H 1 2.97 . . 1 . 304 . . 39 LYS HE2 . 18910 1
335 . 1 1 39 39 LYS HE3 H 1 2.97 . . 1 . 305 . . 39 LYS HE3 . 18910 1
336 . 1 1 39 39 LYS CA C 13 56.66 0.17 . 1 . 299 . . 39 LYS CA . 18910 1
337 . 1 1 39 39 LYS CB C 13 32.10 0.07 . 1 . 298 . . 39 LYS CB . 18910 1
338 . 1 1 39 39 LYS CG C 13 25.20 0.06 . 1 . 306 . . 39 LYS CG . 18910 1
339 . 1 1 39 39 LYS CD C 13 28.68 . . 1 . 307 . . 39 LYS CD . 18910 1
340 . 1 1 39 39 LYS CE C 13 42.21 0.05 . 1 . 303 . . 39 LYS CE . 18910 1
341 . 1 1 39 39 LYS N N 15 118.81 0.04 . 1 . 297 . . 39 LYS N . 18910 1
342 . 1 1 40 40 GLY H H 1 7.93 . . 1 . 310 . . 40 GLY H . 18910 1
343 . 1 1 40 40 GLY HA2 H 1 4.13 . . 2 . 313 . . 40 GLY HA2 . 18910 1
344 . 1 1 40 40 GLY HA3 H 1 3.82 . . 2 . 314 . . 40 GLY HA3 . 18910 1
345 . 1 1 40 40 GLY CA C 13 45.29 0.02 . 1 . 312 . . 40 GLY CA . 18910 1
346 . 1 1 40 40 GLY N N 15 107.28 0.03 . 1 . 311 . . 40 GLY N . 18910 1
347 . 1 1 41 41 TYR H H 1 7.44 . . 1 . 315 . . 41 TYR H . 18910 1
348 . 1 1 41 41 TYR HA H 1 5.18 . . 1 . 319 . . 41 TYR HA . 18910 1
349 . 1 1 41 41 TYR HB2 H 1 2.69 . . 2 . 321 . . 41 TYR HB2 . 18910 1
350 . 1 1 41 41 TYR HB3 H 1 2.81 . . 2 . 320 . . 41 TYR HB3 . 18910 1
351 . 1 1 41 41 TYR HD1 H 1 6.71 . . 3 . 324 . . 41 TYR HD1 . 18910 1
352 . 1 1 41 41 TYR HD2 H 1 6.71 . . 3 . 325 . . 41 TYR HD2 . 18910 1
353 . 1 1 41 41 TYR HE1 H 1 6.58 . . 3 . 326 . . 41 TYR HE1 . 18910 1
354 . 1 1 41 41 TYR HE2 H 1 6.58 . . 3 . 327 . . 41 TYR HE2 . 18910 1
355 . 1 1 41 41 TYR CA C 13 55.72 0.05 . 1 . 317 . . 41 TYR CA . 18910 1
356 . 1 1 41 41 TYR CB C 13 36.58 0.06 . 1 . 318 . . 41 TYR CB . 18910 1
357 . 1 1 41 41 TYR CD1 C 13 131.25 . . 3 . 322 . . 41 TYR CD1 . 18910 1
358 . 1 1 41 41 TYR CD2 C 13 131.25 . . 3 . 323 . . 41 TYR CD2 . 18910 1
359 . 1 1 41 41 TYR CE1 C 13 118.72 . . 3 . 328 . . 41 TYR CE1 . 18910 1
360 . 1 1 41 41 TYR CE2 C 13 118.72 . . 3 . 329 . . 41 TYR CE2 . 18910 1
361 . 1 1 41 41 TYR N N 15 117.90 0.04 . 1 . 316 . . 41 TYR N . 18910 1
362 . 1 1 42 42 THR H H 1 8.82 . . 1 . 330 . . 42 THR H . 18910 1
363 . 1 1 42 42 THR HA H 1 4.66 0.01 . 1 . 334 . . 42 THR HA . 18910 1
364 . 1 1 42 42 THR HB H 1 4.87 . . 1 . 335 . . 42 THR HB . 18910 1
365 . 1 1 42 42 THR CA C 13 59.94 0.04 . 1 . 332 . . 42 THR CA . 18910 1
366 . 1 1 42 42 THR CB C 13 71.34 0.08 . 1 . 333 . . 42 THR CB . 18910 1
367 . 1 1 42 42 THR N N 15 116.98 0.04 . 1 . 331 . . 42 THR N . 18910 1
368 . 1 1 43 43 LEU HD11 H 1 0.72 . . 2 . 336 . . 43 LEU HD11 . 18910 1
369 . 1 1 43 43 LEU HD12 H 1 0.72 . . 2 . 336 . . 43 LEU HD12 . 18910 1
370 . 1 1 43 43 LEU HD13 H 1 0.72 . . 2 . 336 . . 43 LEU HD13 . 18910 1
371 . 1 1 43 43 LEU HD21 H 1 0.86 . . 2 . 338 . . 43 LEU HD21 . 18910 1
372 . 1 1 43 43 LEU HD22 H 1 0.86 . . 2 . 338 . . 43 LEU HD22 . 18910 1
373 . 1 1 43 43 LEU HD23 H 1 0.86 . . 2 . 338 . . 43 LEU HD23 . 18910 1
374 . 1 1 43 43 LEU CD1 C 13 22.97 0.02 . 2 . 337 . . 43 LEU CD1 . 18910 1
375 . 1 1 43 43 LEU CD2 C 13 25.30 0.04 . 2 . 339 . . 43 LEU CD2 . 18910 1
376 . 1 1 44 44 THR HB H 1 4.01 . . 1 . 344 . . 44 THR HB . 18910 1
377 . 1 1 44 44 THR HG21 H 1 1.19 . . 1 . 343 . . 44 THR HG21 . 18910 1
378 . 1 1 44 44 THR HG22 H 1 1.19 . . 1 . 343 . . 44 THR HG22 . 18910 1
379 . 1 1 44 44 THR HG23 H 1 1.19 . . 1 . 343 . . 44 THR HG23 . 18910 1
380 . 1 1 44 44 THR CA C 13 65.99 0.01 . 1 . 340 . . 44 THR CA . 18910 1
381 . 1 1 44 44 THR CB C 13 68.46 0.11 . 1 . 341 . . 44 THR CB . 18910 1
382 . 1 1 44 44 THR CG2 C 13 21.85 0.04 . 1 . 342 . . 44 THR CG2 . 18910 1
383 . 1 1 45 45 GLN H H 1 7.54 0.01 . 1 . 345 . . 45 GLN H . 18910 1
384 . 1 1 45 45 GLN HA H 1 3.72 . . 1 . 350 . . 45 GLN HA . 18910 1
385 . 1 1 45 45 GLN HB2 H 1 2.05 0.01 . 2 . 352 . . 45 GLN HB2 . 18910 1
386 . 1 1 45 45 GLN HB3 H 1 1.38 . . 2 . 351 . . 45 GLN HB3 . 18910 1
387 . 1 1 45 45 GLN HG2 H 1 2.15 . . 2 . 354 . . 45 GLN HG2 . 18910 1
388 . 1 1 45 45 GLN HG3 H 1 2.00 . . 2 . 353 . . 45 GLN HG3 . 18910 1
389 . 1 1 45 45 GLN HE21 H 1 6.94 . . 1 . 355 . . 45 GLN HE21 . 18910 1
390 . 1 1 45 45 GLN HE22 H 1 7.33 . . 1 . 357 . . 45 GLN HE22 . 18910 1
391 . 1 1 45 45 GLN CA C 13 58.56 0.05 . 1 . 347 . . 45 GLN CA . 18910 1
392 . 1 1 45 45 GLN CB C 13 29.11 0.05 . 1 . 348 . . 45 GLN CB . 18910 1
393 . 1 1 45 45 GLN CG C 13 34.64 0.05 . 1 . 349 . . 45 GLN CG . 18910 1
394 . 1 1 45 45 GLN N N 15 121.37 0.04 . 1 . 346 . . 45 GLN N . 18910 1
395 . 1 1 45 45 GLN NE2 N 15 110.96 . . 1 . 356 . . 45 GLN NE2 . 18910 1
396 . 1 1 46 46 LEU H H 1 8.31 . . 1 . 358 . . 46 LEU H . 18910 1
397 . 1 1 46 46 LEU HA H 1 3.67 . . 1 . 362 . . 46 LEU HA . 18910 1
398 . 1 1 46 46 LEU HB2 H 1 1.40 0.01 . 2 . 364 . . 46 LEU HB2 . 18910 1
399 . 1 1 46 46 LEU HB3 H 1 1.66 0.01 . 2 . 363 . . 46 LEU HB3 . 18910 1
400 . 1 1 46 46 LEU HG H 1 1.39 . . 1 . 370 . . 46 LEU HG . 18910 1
401 . 1 1 46 46 LEU HD11 H 1 -0.05 . . 2 . 369 . . 46 LEU HD11 . 18910 1
402 . 1 1 46 46 LEU HD12 H 1 -0.05 . . 2 . 369 . . 46 LEU HD12 . 18910 1
403 . 1 1 46 46 LEU HD13 H 1 -0.05 . . 2 . 369 . . 46 LEU HD13 . 18910 1
404 . 1 1 46 46 LEU HD21 H 1 0.37 . . 2 . 367 . . 46 LEU HD21 . 18910 1
405 . 1 1 46 46 LEU HD22 H 1 0.37 . . 2 . 367 . . 46 LEU HD22 . 18910 1
406 . 1 1 46 46 LEU HD23 H 1 0.37 . . 2 . 367 . . 46 LEU HD23 . 18910 1
407 . 1 1 46 46 LEU CA C 13 57.78 0.04 . 1 . 361 . . 46 LEU CA . 18910 1
408 . 1 1 46 46 LEU CB C 13 41.88 0.05 . 1 . 360 . . 46 LEU CB . 18910 1
409 . 1 1 46 46 LEU CG C 13 26.90 0.04 . 1 . 365 . . 46 LEU CG . 18910 1
410 . 1 1 46 46 LEU CD1 C 13 24.01 0.04 . 2 . 368 . . 46 LEU CD1 . 18910 1
411 . 1 1 46 46 LEU CD2 C 13 25.49 0.07 . 2 . 366 . . 46 LEU CD2 . 18910 1
412 . 1 1 46 46 LEU N N 15 118.48 0.01 . 1 . 359 . . 46 LEU N . 18910 1
413 . 1 1 47 47 SER H H 1 8.33 . . 1 . 371 . . 47 SER H . 18910 1
414 . 1 1 47 47 SER HA H 1 3.85 0.01 . 1 . 375 . . 47 SER HA . 18910 1
415 . 1 1 47 47 SER HB2 H 1 3.86 . . 1 . 377 . . 47 SER HB2 . 18910 1
416 . 1 1 47 47 SER HB3 H 1 3.86 . . 1 . 376 . . 47 SER HB3 . 18910 1
417 . 1 1 47 47 SER CA C 13 61.42 0.04 . 1 . 373 . . 47 SER CA . 18910 1
418 . 1 1 47 47 SER CB C 13 62.47 0.11 . 1 . 374 . . 47 SER CB . 18910 1
419 . 1 1 47 47 SER N N 15 112.52 0.03 . 1 . 372 . . 47 SER N . 18910 1
420 . 1 1 48 48 ASP H H 1 7.28 . . 1 . 378 . . 48 ASP H . 18910 1
421 . 1 1 48 48 ASP HA H 1 4.45 . . 1 . 382 . . 48 ASP HA . 18910 1
422 . 1 1 48 48 ASP HB2 H 1 2.54 0.01 . 2 . 383 . . 48 ASP HB2 . 18910 1
423 . 1 1 48 48 ASP HB3 H 1 2.49 0.02 . 2 . 384 . . 48 ASP HB3 . 18910 1
424 . 1 1 48 48 ASP CA C 13 57.10 0.05 . 1 . 380 . . 48 ASP CA . 18910 1
425 . 1 1 48 48 ASP CB C 13 40.61 0.03 . 1 . 381 . . 48 ASP CB . 18910 1
426 . 1 1 48 48 ASP N N 15 119.84 0.01 . 1 . 379 . . 48 ASP N . 18910 1
427 . 1 1 49 49 PHE H H 1 8.09 . . 1 . 385 . . 49 PHE H . 18910 1
428 . 1 1 49 49 PHE HA H 1 4.43 . . 1 . 389 . . 49 PHE HA . 18910 1
429 . 1 1 49 49 PHE HB2 H 1 2.84 . . 1 . 391 . . 49 PHE HB2 . 18910 1
430 . 1 1 49 49 PHE HB3 H 1 2.84 . . 1 . 390 . . 49 PHE HB3 . 18910 1
431 . 1 1 49 49 PHE HD1 H 1 6.33 . . 3 . 392 . . 49 PHE HD1 . 18910 1
432 . 1 1 49 49 PHE HD2 H 1 6.33 . . 3 . 393 . . 49 PHE HD2 . 18910 1
433 . 1 1 49 49 PHE HE1 H 1 6.43 . . 3 . 396 . . 49 PHE HE1 . 18910 1
434 . 1 1 49 49 PHE HE2 H 1 6.43 . . 3 . 397 . . 49 PHE HE2 . 18910 1
435 . 1 1 49 49 PHE CA C 13 58.01 0.07 . 1 . 388 . . 49 PHE CA . 18910 1
436 . 1 1 49 49 PHE CB C 13 38.90 0.04 . 1 . 387 . . 49 PHE CB . 18910 1
437 . 1 1 49 49 PHE CD1 C 13 131.37 . . 3 . 394 . . 49 PHE CD1 . 18910 1
438 . 1 1 49 49 PHE CD2 C 13 131.37 . . 3 . 395 . . 49 PHE CD2 . 18910 1
439 . 1 1 49 49 PHE CE1 C 13 129.80 . . 3 . 398 . . 49 PHE CE1 . 18910 1
440 . 1 1 49 49 PHE CE2 C 13 129.80 . . 3 . 399 . . 49 PHE CE2 . 18910 1
441 . 1 1 49 49 PHE N N 15 118.00 0.01 . 1 . 386 . . 49 PHE N . 18910 1
442 . 1 1 50 50 LEU H H 1 7.76 . . 1 . 400 . . 50 LEU H . 18910 1
443 . 1 1 50 50 LEU HA H 1 3.98 . . 1 . 404 . . 50 LEU HA . 18910 1
444 . 1 1 50 50 LEU HB2 H 1 1.58 . . 2 . 406 . . 50 LEU HB2 . 18910 1
445 . 1 1 50 50 LEU HB3 H 1 1.66 . . 2 . 405 . . 50 LEU HB3 . 18910 1
446 . 1 1 50 50 LEU HG H 1 0.29 0.01 . 1 . 410 . . 50 LEU HG . 18910 1
447 . 1 1 50 50 LEU HD11 H 1 0.81 . . 1 . 411 . . 50 LEU HD11 . 18910 1
448 . 1 1 50 50 LEU HD12 H 1 0.81 . . 1 . 411 . . 50 LEU HD12 . 18910 1
449 . 1 1 50 50 LEU HD13 H 1 0.81 . . 1 . 411 . . 50 LEU HD13 . 18910 1
450 . 1 1 50 50 LEU HD21 H 1 0.81 . . 1 . 412 . . 50 LEU HD21 . 18910 1
451 . 1 1 50 50 LEU HD22 H 1 0.81 . . 1 . 412 . . 50 LEU HD22 . 18910 1
452 . 1 1 50 50 LEU HD23 H 1 0.81 . . 1 . 412 . . 50 LEU HD23 . 18910 1
453 . 1 1 50 50 LEU CA C 13 53.98 0.05 . 1 . 402 . . 50 LEU CA . 18910 1
454 . 1 1 50 50 LEU CB C 13 40.46 0.07 . 1 . 403 . . 50 LEU CB . 18910 1
455 . 1 1 50 50 LEU CG C 13 22.04 0.03 . 1 . 407 . . 50 LEU CG . 18910 1
456 . 1 1 50 50 LEU CD1 C 13 25.94 0.04 . 1 . 409 . . 50 LEU CD1 . 18910 1
457 . 1 1 50 50 LEU CD2 C 13 25.94 0.04 . 1 . 408 . . 50 LEU CD2 . 18910 1
458 . 1 1 50 50 LEU N N 15 113.20 0.04 . 1 . 401 . . 50 LEU N . 18910 1
459 . 1 1 51 51 LYS H H 1 7.04 . . 1 . 413 . . 51 LYS H . 18910 1
460 . 1 1 51 51 LYS CA C 13 58.17 . . 1 . 415 . . 51 LYS CA . 18910 1
461 . 1 1 51 51 LYS CB C 13 32.81 . . 1 . 416 . . 51 LYS CB . 18910 1
462 . 1 1 51 51 LYS N N 15 121.14 0.05 . 1 . 414 . . 51 LYS N . 18910 1
463 . 1 1 56 56 GLY CA C 13 45.40 0.03 . 1 . 417 . . 56 GLY CA . 18910 1
464 . 1 1 57 57 LYS H H 1 7.47 0.01 . 1 . 418 . . 57 LYS H . 18910 1
465 . 1 1 57 57 LYS HA H 1 3.72 . . 1 . 425 . . 57 LYS HA . 18910 1
466 . 1 1 57 57 LYS HB2 H 1 1.70 0.01 . 1 . 426 . . 57 LYS HB2 . 18910 1
467 . 1 1 57 57 LYS HB3 H 1 1.70 0.01 . 1 . 430 . . 57 LYS HB3 . 18910 1
468 . 1 1 57 57 LYS HG2 H 1 0.10 . . 1 . 427 . . 57 LYS HG2 . 18910 1
469 . 1 1 57 57 LYS HG3 H 1 0.10 . . 1 . 428 . . 57 LYS HG3 . 18910 1
470 . 1 1 57 57 LYS HD3 H 1 1.41 . . 1 . 429 . . 57 LYS HD3 . 18910 1
471 . 1 1 57 57 LYS CA C 13 60.24 0.09 . 1 . 420 . . 57 LYS CA . 18910 1
472 . 1 1 57 57 LYS CB C 13 33.50 0.1 . 1 . 421 . . 57 LYS CB . 18910 1
473 . 1 1 57 57 LYS CG C 13 24.45 0.08 . 1 . 424 . . 57 LYS CG . 18910 1
474 . 1 1 57 57 LYS CD C 13 30.31 0.04 . 1 . 423 . . 57 LYS CD . 18910 1
475 . 1 1 57 57 LYS CE C 13 42.12 . . 1 . 422 . . 57 LYS CE . 18910 1
476 . 1 1 57 57 LYS N N 15 121.48 0.03 . 1 . 419 . . 57 LYS N . 18910 1
477 . 1 1 58 58 TYR H H 1 8.59 . . 1 . 431 . . 58 TYR H . 18910 1
478 . 1 1 58 58 TYR HA H 1 4.98 . . 1 . 437 . . 58 TYR HA . 18910 1
479 . 1 1 58 58 TYR HB2 H 1 2.90 . . 2 . 436 . . 58 TYR HB2 . 18910 1
480 . 1 1 58 58 TYR HB3 H 1 3.52 . . 2 . 435 . . 58 TYR HB3 . 18910 1
481 . 1 1 58 58 TYR HD1 H 1 7.25 . . 3 . 442 . . 58 TYR HD1 . 18910 1
482 . 1 1 58 58 TYR HD2 H 1 7.25 . . 3 . 443 . . 58 TYR HD2 . 18910 1
483 . 1 1 58 58 TYR HE1 H 1 6.87 . . 3 . 438 . . 58 TYR HE1 . 18910 1
484 . 1 1 58 58 TYR HE2 H 1 6.87 . . 3 . 439 . . 58 TYR HE2 . 18910 1
485 . 1 1 58 58 TYR CA C 13 57.33 0.09 . 1 . 433 . . 58 TYR CA . 18910 1
486 . 1 1 58 58 TYR CB C 13 39.10 0.04 . 1 . 434 . . 58 TYR CB . 18910 1
487 . 1 1 58 58 TYR CD1 C 13 133.91 . . 3 . 444 . . 58 TYR CD1 . 18910 1
488 . 1 1 58 58 TYR CD2 C 13 133.91 . . 3 . 445 . . 58 TYR CD2 . 18910 1
489 . 1 1 58 58 TYR CE1 C 13 118.04 . . 3 . 440 . . 58 TYR CE1 . 18910 1
490 . 1 1 58 58 TYR CE2 C 13 118.04 . . 3 . 441 . . 58 TYR CE2 . 18910 1
491 . 1 1 58 58 TYR N N 15 112.18 0.03 . 1 . 432 . . 58 TYR N . 18910 1
492 . 1 1 59 59 ASP H H 1 7.75 . . 1 . 446 . . 59 ASP H . 18910 1
493 . 1 1 59 59 ASP CA C 13 58.49 . . 1 . 448 . . 59 ASP CA . 18910 1
494 . 1 1 59 59 ASP CB C 13 39.71 . . 1 . 449 . . 59 ASP CB . 18910 1
495 . 1 1 59 59 ASP N N 15 122.88 0.02 . 1 . 447 . . 59 ASP N . 18910 1
496 . 1 1 60 60 ARG HA H 1 4.28 0.01 . 1 . 454 . . 60 ARG HA . 18910 1
497 . 1 1 60 60 ARG HB2 H 1 2.03 0.01 . 2 . 457 . . 60 ARG HB2 . 18910 1
498 . 1 1 60 60 ARG HB3 H 1 1.97 0.02 . 2 . 458 . . 60 ARG HB3 . 18910 1
499 . 1 1 60 60 ARG HG2 H 1 1.83 . . 1 . 459 . . 60 ARG HG2 . 18910 1
500 . 1 1 60 60 ARG HG3 H 1 1.83 . . 1 . 460 . . 60 ARG HG3 . 18910 1
501 . 1 1 60 60 ARG HD2 H 1 3.31 . . 1 . 455 . . 60 ARG HD2 . 18910 1
502 . 1 1 60 60 ARG HD3 H 1 3.31 . . 1 . 456 . . 60 ARG HD3 . 18910 1
503 . 1 1 60 60 ARG CA C 13 59.82 0.06 . 1 . 450 . . 60 ARG CA . 18910 1
504 . 1 1 60 60 ARG CB C 13 29.96 0.08 . 1 . 451 . . 60 ARG CB . 18910 1
505 . 1 1 60 60 ARG CG C 13 27.39 . . 1 . 453 . . 60 ARG CG . 18910 1
506 . 1 1 60 60 ARG CD C 13 43.72 0.02 . 1 . 452 . . 60 ARG CD . 18910 1
507 . 1 1 61 61 VAL H H 1 7.62 . . 1 . 461 . . 61 VAL H . 18910 1
508 . 1 1 61 61 VAL HA H 1 4.14 . . 1 . 465 . . 61 VAL HA . 18910 1
509 . 1 1 61 61 VAL HB H 1 2.64 0.01 . 1 . 466 . . 61 VAL HB . 18910 1
510 . 1 1 61 61 VAL HG11 H 1 1.51 . . 2 . 468 . . 61 VAL HG11 . 18910 1
511 . 1 1 61 61 VAL HG12 H 1 1.51 . . 2 . 468 . . 61 VAL HG12 . 18910 1
512 . 1 1 61 61 VAL HG13 H 1 1.51 . . 2 . 468 . . 61 VAL HG13 . 18910 1
513 . 1 1 61 61 VAL HG21 H 1 1.38 . . 2 . 467 . . 61 VAL HG21 . 18910 1
514 . 1 1 61 61 VAL HG22 H 1 1.38 . . 2 . 467 . . 61 VAL HG22 . 18910 1
515 . 1 1 61 61 VAL HG23 H 1 1.38 . . 2 . 467 . . 61 VAL HG23 . 18910 1
516 . 1 1 61 61 VAL CA C 13 65.46 0.05 . 1 . 463 . . 61 VAL CA . 18910 1
517 . 1 1 61 61 VAL CB C 13 32.21 0.11 . 1 . 464 . . 61 VAL CB . 18910 1
518 . 1 1 61 61 VAL CG1 C 13 22.78 0.07 . 2 . 469 . . 61 VAL CG1 . 18910 1
519 . 1 1 61 61 VAL CG2 C 13 22.81 0.08 . 2 . 470 . . 61 VAL CG2 . 18910 1
520 . 1 1 61 61 VAL N N 15 119.94 0.02 . 1 . 462 . . 61 VAL N . 18910 1
521 . 1 1 62 62 TYR H H 1 8.35 . . 1 . 471 . . 62 TYR H . 18910 1
522 . 1 1 62 62 TYR HA H 1 4.08 . . 1 . 475 . . 62 TYR HA . 18910 1
523 . 1 1 62 62 TYR HB2 H 1 3.05 . . 2 . 477 . . 62 TYR HB2 . 18910 1
524 . 1 1 62 62 TYR HB3 H 1 3.23 0.01 . 2 . 476 . . 62 TYR HB3 . 18910 1
525 . 1 1 62 62 TYR HD1 H 1 6.98 . . 3 . 482 . . 62 TYR HD1 . 18910 1
526 . 1 1 62 62 TYR HD2 H 1 6.98 . . 3 . 483 . . 62 TYR HD2 . 18910 1
527 . 1 1 62 62 TYR HE1 H 1 6.93 . . 3 . 478 . . 62 TYR HE1 . 18910 1
528 . 1 1 62 62 TYR HE2 H 1 6.93 . . 3 . 479 . . 62 TYR HE2 . 18910 1
529 . 1 1 62 62 TYR CA C 13 62.34 0.05 . 1 . 473 . . 62 TYR CA . 18910 1
530 . 1 1 62 62 TYR CB C 13 38.75 0.09 . 1 . 474 . . 62 TYR CB . 18910 1
531 . 1 1 62 62 TYR CD1 C 13 132.85 . . 3 . 484 . . 62 TYR CD1 . 18910 1
532 . 1 1 62 62 TYR CD2 C 13 132.85 . . 3 . 485 . . 62 TYR CD2 . 18910 1
533 . 1 1 62 62 TYR CE1 C 13 118.94 . . 3 . 480 . . 62 TYR CE1 . 18910 1
534 . 1 1 62 62 TYR CE2 C 13 118.94 . . 3 . 481 . . 62 TYR CE2 . 18910 1
535 . 1 1 62 62 TYR N N 15 122.62 0.03 . 1 . 472 . . 62 TYR N . 18910 1
536 . 1 1 63 63 ASN H H 1 9.00 . . 1 . 486 . . 63 ASN H . 18910 1
537 . 1 1 63 63 ASN HA H 1 4.39 . . 1 . 492 . . 63 ASN HA . 18910 1
538 . 1 1 63 63 ASN HB2 H 1 2.87 . . 2 . 491 . . 63 ASN HB2 . 18910 1
539 . 1 1 63 63 ASN HB3 H 1 2.93 . . 2 . 490 . . 63 ASN HB3 . 18910 1
540 . 1 1 63 63 ASN HD21 H 1 7.02 . . 1 . 493 . . 63 ASN HD21 . 18910 1
541 . 1 1 63 63 ASN HD22 H 1 7.55 . . 1 . 495 . . 63 ASN HD22 . 18910 1
542 . 1 1 63 63 ASN CA C 13 56.26 0.04 . 1 . 488 . . 63 ASN CA . 18910 1
543 . 1 1 63 63 ASN CB C 13 38.20 0.05 . 1 . 489 . . 63 ASN CB . 18910 1
544 . 1 1 63 63 ASN N N 15 117.00 0.03 . 1 . 487 . . 63 ASN N . 18910 1
545 . 1 1 63 63 ASN ND2 N 15 111.22 0.02 . 1 . 494 . . 63 ASN ND2 . 18910 1
546 . 1 1 64 64 GLY H H 1 8.11 . . 1 . 496 . . 64 GLY H . 18910 1
547 . 1 1 64 64 GLY HA2 H 1 4.34 . . 2 . 499 . . 64 GLY HA2 . 18910 1
548 . 1 1 64 64 GLY HA3 H 1 3.93 . . 2 . 500 . . 64 GLY HA3 . 18910 1
549 . 1 1 64 64 GLY CA C 13 47.04 0.05 . 1 . 498 . . 64 GLY CA . 18910 1
550 . 1 1 64 64 GLY N N 15 108.03 0.02 . 1 . 497 . . 64 GLY N . 18910 1
551 . 1 1 65 65 TYR H H 1 7.90 . . 1 . 501 . . 65 TYR H . 18910 1
552 . 1 1 65 65 TYR HA H 1 3.33 0.01 . 1 . 505 . . 65 TYR HA . 18910 1
553 . 1 1 65 65 TYR HB2 H 1 2.80 . . 2 . 507 . . 65 TYR HB2 . 18910 1
554 . 1 1 65 65 TYR HB3 H 1 3.00 . . 2 . 506 . . 65 TYR HB3 . 18910 1
555 . 1 1 65 65 TYR HD1 H 1 6.81 . . 3 . 508 . . 65 TYR HD1 . 18910 1
556 . 1 1 65 65 TYR HD2 H 1 6.81 . . 3 . 509 . . 65 TYR HD2 . 18910 1
557 . 1 1 65 65 TYR HE1 H 1 6.98 . . 3 . 512 . . 65 TYR HE1 . 18910 1
558 . 1 1 65 65 TYR HE2 H 1 6.98 . . 3 . 513 . . 65 TYR HE2 . 18910 1
559 . 1 1 65 65 TYR CA C 13 60.37 0.04 . 1 . 503 . . 65 TYR CA . 18910 1
560 . 1 1 65 65 TYR CB C 13 37.88 0.06 . 1 . 504 . . 65 TYR CB . 18910 1
561 . 1 1 65 65 TYR CD1 C 13 133.33 . . 3 . 510 . . 65 TYR CD1 . 18910 1
562 . 1 1 65 65 TYR CD2 C 13 133.33 . . 3 . 511 . . 65 TYR CD2 . 18910 1
563 . 1 1 65 65 TYR CE1 C 13 118.56 . . 3 . 514 . . 65 TYR CE1 . 18910 1
564 . 1 1 65 65 TYR CE2 C 13 118.56 . . 3 . 515 . . 65 TYR CE2 . 18910 1
565 . 1 1 65 65 TYR N N 15 124.91 0.02 . 1 . 502 . . 65 TYR N . 18910 1
566 . 1 1 66 66 MET H H 1 7.88 . . 1 . 516 . . 66 MET H . 18910 1
567 . 1 1 66 66 MET HA H 1 3.64 . . 1 . 520 . . 66 MET HA . 18910 1
568 . 1 1 66 66 MET HB2 H 1 1.98 . . 1 . 524 . . 66 MET HB2 . 18910 1
569 . 1 1 66 66 MET HB3 H 1 1.98 . . 1 . 525 . . 66 MET HB3 . 18910 1
570 . 1 1 66 66 MET HG2 H 1 2.29 0.02 . 2 . 523 . . 66 MET HG2 . 18910 1
571 . 1 1 66 66 MET HG3 H 1 2.44 0.01 . 2 . 522 . . 66 MET HG3 . 18910 1
572 . 1 1 66 66 MET CA C 13 59.73 0.12 . 1 . 518 . . 66 MET CA . 18910 1
573 . 1 1 66 66 MET CB C 13 32.68 0.01 . 1 . 519 . . 66 MET CB . 18910 1
574 . 1 1 66 66 MET CG C 13 31.35 0.09 . 1 . 521 . . 66 MET CG . 18910 1
575 . 1 1 66 66 MET N N 15 117.53 0.02 . 1 . 517 . . 66 MET N . 18910 1
576 . 1 1 67 67 THR H H 1 7.79 . . 1 . 526 . . 67 THR H . 18910 1
577 . 1 1 67 67 THR HA H 1 3.96 0.01 . 1 . 531 . . 67 THR HA . 18910 1
578 . 1 1 67 67 THR HB H 1 4.25 0.01 . 1 . 532 . . 67 THR HB . 18910 1
579 . 1 1 67 67 THR CA C 13 65.62 0.13 . 1 . 528 . . 67 THR CA . 18910 1
580 . 1 1 67 67 THR CB C 13 68.97 0.14 . 1 . 529 . . 67 THR CB . 18910 1
581 . 1 1 67 67 THR CG2 C 13 21.79 . . 1 . 530 . . 67 THR CG2 . 18910 1
582 . 1 1 67 67 THR N N 15 113.09 0.02 . 1 . 527 . . 67 THR N . 18910 1
583 . 1 1 68 68 TYR H H 1 7.89 . . 1 . 533 . . 68 TYR H . 18910 1
584 . 1 1 68 68 TYR HA H 1 4.02 . . 1 . 537 . . 68 TYR HA . 18910 1
585 . 1 1 68 68 TYR HB2 H 1 3.06 . . 2 . 539 . . 68 TYR HB2 . 18910 1
586 . 1 1 68 68 TYR HB3 H 1 2.83 . . 2 . 538 . . 68 TYR HB3 . 18910 1
587 . 1 1 68 68 TYR HD1 H 1 6.95 . . 3 . 544 . . 68 TYR HD1 . 18910 1
588 . 1 1 68 68 TYR HD2 H 1 6.95 . . 3 . 545 . . 68 TYR HD2 . 18910 1
589 . 1 1 68 68 TYR HE1 H 1 6.76 . . 3 . 542 . . 68 TYR HE1 . 18910 1
590 . 1 1 68 68 TYR HE2 H 1 6.76 . . 3 . 543 . . 68 TYR HE2 . 18910 1
591 . 1 1 68 68 TYR CA C 13 61.39 0.02 . 1 . 535 . . 68 TYR CA . 18910 1
592 . 1 1 68 68 TYR CB C 13 39.08 0.08 . 1 . 536 . . 68 TYR CB . 18910 1
593 . 1 1 68 68 TYR CD1 C 13 133.70 . . 3 . 546 . . 68 TYR CD1 . 18910 1
594 . 1 1 68 68 TYR CD2 C 13 133.70 . . 3 . 547 . . 68 TYR CD2 . 18910 1
595 . 1 1 68 68 TYR CE1 C 13 118.30 . . 3 . 540 . . 68 TYR CE1 . 18910 1
596 . 1 1 68 68 TYR CE2 C 13 118.30 . . 3 . 541 . . 68 TYR CE2 . 18910 1
597 . 1 1 68 68 TYR N N 15 124.21 0.03 . 1 . 534 . . 68 TYR N . 18910 1
598 . 1 1 69 69 ARG H H 1 7.72 . . 1 . 548 . . 69 ARG H . 18910 1
599 . 1 1 69 69 ARG HA H 1 3.87 . . 1 . 554 . . 69 ARG HA . 18910 1
600 . 1 1 69 69 ARG HB2 H 1 1.32 0.01 . 2 . 555 . . 69 ARG HB2 . 18910 1
601 . 1 1 69 69 ARG HB3 H 1 1.57 0.01 . 2 . 556 . . 69 ARG HB3 . 18910 1
602 . 1 1 69 69 ARG HG2 H 1 1.12 . . 1 . 558 . . 69 ARG HG2 . 18910 1
603 . 1 1 69 69 ARG HG3 H 1 1.12 . . 1 . 557 . . 69 ARG HG3 . 18910 1
604 . 1 1 69 69 ARG HD2 H 1 2.92 . . 2 . 559 . . 69 ARG HD2 . 18910 1
605 . 1 1 69 69 ARG HD3 H 1 2.99 . . 2 . 560 . . 69 ARG HD3 . 18910 1
606 . 1 1 69 69 ARG CA C 13 55.66 0.07 . 1 . 551 . . 69 ARG CA . 18910 1
607 . 1 1 69 69 ARG CB C 13 29.16 0.05 . 1 . 550 . . 69 ARG CB . 18910 1
608 . 1 1 69 69 ARG CG C 13 26.29 0.08 . 1 . 553 . . 69 ARG CG . 18910 1
609 . 1 1 69 69 ARG CD C 13 42.28 0.08 . 1 . 552 . . 69 ARG CD . 18910 1
610 . 1 1 69 69 ARG N N 15 115.47 0.03 . 1 . 549 . . 69 ARG N . 18910 1
611 . 1 1 70 70 ASP H H 1 7.61 . . 1 . 562 . . 70 ASP H . 18910 1
612 . 1 1 70 70 ASP HA H 1 4.43 . . 1 . 565 . . 70 ASP HA . 18910 1
613 . 1 1 70 70 ASP CA C 13 55.30 0.06 . 1 . 564 . . 70 ASP CA . 18910 1
614 . 1 1 70 70 ASP CB C 13 40.48 0.06 . 1 . 563 . . 70 ASP CB . 18910 1
615 . 1 1 70 70 ASP N N 15 118.52 0.03 . 1 . 561 . . 70 ASP N . 18910 1
616 . 1 1 71 71 TYR H H 1 7.74 . . 1 . 566 . . 71 TYR H . 18910 1
617 . 1 1 71 71 TYR HA H 1 4.55 0.01 . 1 . 570 . . 71 TYR HA . 18910 1
618 . 1 1 71 71 TYR HB2 H 1 2.88 . . 2 . 572 . . 71 TYR HB2 . 18910 1
619 . 1 1 71 71 TYR HB3 H 1 3.10 0.01 . 2 . 571 . . 71 TYR HB3 . 18910 1
620 . 1 1 71 71 TYR HD1 H 1 7.08 . . 3 . 577 . . 71 TYR HD1 . 18910 1
621 . 1 1 71 71 TYR HD2 H 1 7.08 . . 3 . 578 . . 71 TYR HD2 . 18910 1
622 . 1 1 71 71 TYR HE1 H 1 6.80 . . 3 . 573 . . 71 TYR HE1 . 18910 1
623 . 1 1 71 71 TYR HE2 H 1 6.80 . . 3 . 574 . . 71 TYR HE2 . 18910 1
624 . 1 1 71 71 TYR CA C 13 57.79 0.07 . 1 . 568 . . 71 TYR CA . 18910 1
625 . 1 1 71 71 TYR CB C 13 38.54 0.07 . 1 . 569 . . 71 TYR CB . 18910 1
626 . 1 1 71 71 TYR CD1 C 13 133.34 . . 3 . 579 . . 71 TYR CD1 . 18910 1
627 . 1 1 71 71 TYR CD2 C 13 133.34 . . 3 . 580 . . 71 TYR CD2 . 18910 1
628 . 1 1 71 71 TYR CE1 C 13 118.57 . . 3 . 575 . . 71 TYR CE1 . 18910 1
629 . 1 1 71 71 TYR CE2 C 13 118.57 . . 3 . 576 . . 71 TYR CE2 . 18910 1
630 . 1 1 71 71 TYR N N 15 117.99 0.02 . 1 . 567 . . 71 TYR N . 18910 1
631 . 1 1 72 72 VAL H H 1 7.34 . . 1 . 581 . . 72 VAL H . 18910 1
632 . 1 1 72 72 VAL HA H 1 3.97 . . 1 . 585 . . 72 VAL HA . 18910 1
633 . 1 1 72 72 VAL HB H 1 1.99 . . 1 . 586 . . 72 VAL HB . 18910 1
634 . 1 1 72 72 VAL HG11 H 1 0.83 . . 1 . 588 . . 72 VAL HG11 . 18910 1
635 . 1 1 72 72 VAL HG12 H 1 0.83 . . 1 . 588 . . 72 VAL HG12 . 18910 1
636 . 1 1 72 72 VAL HG13 H 1 0.83 . . 1 . 588 . . 72 VAL HG13 . 18910 1
637 . 1 1 72 72 VAL HG21 H 1 0.83 . . 1 . 587 . . 72 VAL HG21 . 18910 1
638 . 1 1 72 72 VAL HG22 H 1 0.83 . . 1 . 587 . . 72 VAL HG22 . 18910 1
639 . 1 1 72 72 VAL HG23 H 1 0.83 . . 1 . 587 . . 72 VAL HG23 . 18910 1
640 . 1 1 72 72 VAL CA C 13 63.62 . . 1 . 584 . . 72 VAL CA . 18910 1
641 . 1 1 72 72 VAL CB C 13 33.37 0.06 . 1 . 583 . . 72 VAL CB . 18910 1
642 . 1 1 72 72 VAL N N 15 124.12 0.01 . 1 . 582 . . 72 VAL N . 18910 1
stop_
save_