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 26867
_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/5g63/ebi/shifts_chainA.str.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 26867 1
2 HNCO 1 $sample_1 solution 26867 1
3 HNCACB 1 $sample_1 solution 26867 1
4 CCC-TOCSY 1 $sample_1 solution 26867 1
5 HCC-TOCSY 1 $sample_1 solution 26867 1
6 '1H-13C HSQC' 2 $sample_2 solution 26867 1
7 HCCH-COSY 2 $sample_2 solution 26867 1
8 'Intermolecular NOESY' 2 $sample_2 solution 26867 1
9 '1H-15N HSQC' 3 $sample_3 solution 26867 1
10 HNCO 3 $sample_3 solution 26867 1
11 HNCACB 3 $sample_3 solution 26867 1
12 HCCONH 3 $sample_3 solution 26867 1
13 '1H-13C HSQC' 4 $sample_4 solution 26867 1
14 'Intermolecular NOESY' 4 $sample_4 solution 26867 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
2 $CNS 1 $HADDOCK 26867 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.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 1 1 GLY CA C 13 43.257 0.141 . 1 . . 1 . . 1 GLY CA . 26867 1
2 . 1 1 1 1 GLY HA2 H 1 3.890 0.004 . 1 . . 2 . . 1 GLY HA2 . 26867 1
3 . 1 1 2 2 VAL C C 13 173.228 . . 1 . . 3 . . 2 VAL C . 26867 1
4 . 1 1 2 2 VAL CA C 13 62.101 0.021 . 1 . . 4 . . 2 VAL CA . 26867 1
5 . 1 1 2 2 VAL CB C 13 33.018 0.068 . 1 . . 5 . . 2 VAL CB . 26867 1
6 . 1 1 2 2 VAL CG1 C 13 20.448 0.045 . 2 . . 6 . . 2 VAL CG1 . 26867 1
7 . 1 1 2 2 VAL CG2 C 13 21.272 0.055 . 2 . . 7 . . 2 VAL CG2 . 26867 1
8 . 1 1 2 2 VAL HA H 1 4.178 0.001 . 1 . . 8 . . 2 VAL HA . 26867 1
9 . 1 1 2 2 VAL HB H 1 2.072 0.003 . 1 . . 9 . . 2 VAL HB . 26867 1
10 . 1 1 2 2 VAL HG11 H 1 0.932 0.002 . 2 . . 10 . . 2 VAL HG11 . 26867 1
11 . 1 1 2 2 VAL HG12 H 1 0.932 0.002 . 2 . . 10 . . 2 VAL HG12 . 26867 1
12 . 1 1 2 2 VAL HG13 H 1 0.932 0.002 . 2 . . 10 . . 2 VAL HG13 . 26867 1
13 . 1 1 2 2 VAL HG21 H 1 0.926 0.006 . 2 . . 11 . . 2 VAL HG21 . 26867 1
14 . 1 1 2 2 VAL HG22 H 1 0.926 0.006 . 2 . . 11 . . 2 VAL HG22 . 26867 1
15 . 1 1 2 2 VAL HG23 H 1 0.926 0.006 . 2 . . 11 . . 2 VAL HG23 . 26867 1
16 . 1 1 3 3 ARG C C 13 173.371 . . 1 . . 12 . . 3 ARG C . 26867 1
17 . 1 1 3 3 ARG CA C 13 56.261 0.014 . 1 . . 13 . . 3 ARG CA . 26867 1
18 . 1 1 3 3 ARG CB C 13 30.903 0.032 . 1 . . 14 . . 3 ARG CB . 26867 1
19 . 1 1 3 3 ARG CD C 13 43.406 . . 1 . . 15 . . 3 ARG CD . 26867 1
20 . 1 1 3 3 ARG CG C 13 27.287 . . 1 . . 16 . . 3 ARG CG . 26867 1
21 . 1 1 3 3 ARG H H 1 8.585 0.003 . 1 . . 17 . . 3 ARG H . 26867 1
22 . 1 1 3 3 ARG N N 15 125.553 0.01 . 1 . . 18 . . 3 ARG N . 26867 1
23 . 1 1 4 4 LYS C C 13 174.077 . . 1 . . 19 . . 4 LYS C . 26867 1
24 . 1 1 4 4 LYS CA C 13 54.660 0.048 . 1 . . 20 . . 4 LYS CA . 26867 1
25 . 1 1 4 4 LYS CB C 13 33.608 0.064 . 1 . . 21 . . 4 LYS CB . 26867 1
26 . 1 1 4 4 LYS CE C 13 42.512 . . 1 . . 22 . . 4 LYS CE . 26867 1
27 . 1 1 4 4 LYS CG C 13 25.415 0.001 . 1 . . 23 . . 4 LYS CG . 26867 1
28 . 1 1 4 4 LYS H H 1 8.012 0.006 . 1 . . 24 . . 4 LYS H . 26867 1
29 . 1 1 4 4 LYS HA H 1 4.275 0.007 . 1 . . 25 . . 4 LYS HA . 26867 1
30 . 1 1 4 4 LYS HB2 H 1 1.252 0.001 . 2 . . 26 . . 4 LYS HB2 . 26867 1
31 . 1 1 4 4 LYS HB3 H 1 0.229 0.043 . 2 . . 27 . . 4 LYS HB3 . 26867 1
32 . 1 1 4 4 LYS HE2 H 1 2.992 . . 1 . . 28 . . 4 LYS HE2 . 26867 1
33 . 1 1 4 4 LYS HG2 H 1 1.166 . . 2 . . 29 . . 4 LYS HG2 . 26867 1
34 . 1 1 4 4 LYS HG3 H 1 1.248 . . 2 . . 30 . . 4 LYS HG3 . 26867 1
35 . 1 1 4 4 LYS N N 15 123.218 0.075 . 1 . . 31 . . 4 LYS N . 26867 1
36 . 1 1 5 5 GLY C C 13 173.993 . . 1 . . 32 . . 5 GLY C . 26867 1
37 . 1 1 5 5 GLY CA C 13 47.440 0.064 . 1 . . 33 . . 5 GLY CA . 26867 1
38 . 1 1 5 5 GLY H H 1 8.377 0.003 . 1 . . 34 . . 5 GLY H . 26867 1
39 . 1 1 5 5 GLY HA2 H 1 3.958 0.003 . 2 . . 35 . . 5 GLY HA2 . 26867 1
40 . 1 1 5 5 GLY HA3 H 1 3.733 0.004 . 2 . . 36 . . 5 GLY HA3 . 26867 1
41 . 1 1 5 5 GLY N N 15 109.993 0.018 . 1 . . 37 . . 5 GLY N . 26867 1
42 . 1 1 6 6 TRP C C 13 175.012 . . 1 . . 38 . . 6 TRP C . 26867 1
43 . 1 1 6 6 TRP CA C 13 58.095 0.006 . 1 . . 39 . . 6 TRP CA . 26867 1
44 . 1 1 6 6 TRP CB C 13 27.913 0.052 . 1 . . 40 . . 6 TRP CB . 26867 1
45 . 1 1 6 6 TRP H H 1 7.882 0.007 . 1 . . 41 . . 6 TRP H . 26867 1
46 . 1 1 6 6 TRP HA H 1 4.529 . . 1 . . 42 . . 6 TRP HA . 26867 1
47 . 1 1 6 6 TRP HB2 H 1 3.628 0.001 . 2 . . 43 . . 6 TRP HB2 . 26867 1
48 . 1 1 6 6 TRP HB3 H 1 3.166 0.007 . 2 . . 44 . . 6 TRP HB3 . 26867 1
49 . 1 1 6 6 TRP HE1 H 1 9.105 . . 1 . . 45 . . 6 TRP HE1 . 26867 1
50 . 1 1 6 6 TRP N N 15 118.297 0.044 . 1 . . 46 . . 6 TRP N . 26867 1
51 . 1 1 6 6 TRP NE1 N 15 128.777 . . 1 . . 47 . . 6 TRP NE1 . 26867 1
52 . 1 1 7 7 HIS C C 13 174.532 . . 1 . . 48 . . 7 HIS C . 26867 1
53 . 1 1 7 7 HIS CA C 13 56.606 0.021 . 1 . . 49 . . 7 HIS CA . 26867 1
54 . 1 1 7 7 HIS CB C 13 29.983 0.181 . 1 . . 50 . . 7 HIS CB . 26867 1
55 . 1 1 7 7 HIS H H 1 6.897 0.005 . 1 . . 51 . . 7 HIS H . 26867 1
56 . 1 1 7 7 HIS HA H 1 3.524 0.003 . 1 . . 52 . . 7 HIS HA . 26867 1
57 . 1 1 7 7 HIS HB2 H 1 2.893 . . 1 . . 53 . . 7 HIS HB2 . 26867 1
58 . 1 1 7 7 HIS N N 15 120.233 0.052 . 1 . . 54 . . 7 HIS N . 26867 1
59 . 1 1 8 8 GLU C C 13 174.034 . . 1 . . 55 . . 8 GLU C . 26867 1
60 . 1 1 8 8 GLU CA C 13 58.203 0.015 . 1 . . 56 . . 8 GLU CA . 26867 1
61 . 1 1 8 8 GLU CB C 13 29.584 0.03 . 1 . . 57 . . 8 GLU CB . 26867 1
62 . 1 1 8 8 GLU CG C 13 35.833 0.006 . 1 . . 58 . . 8 GLU CG . 26867 1
63 . 1 1 8 8 GLU H H 1 7.555 0.004 . 1 . . 59 . . 8 GLU H . 26867 1
64 . 1 1 8 8 GLU HA H 1 3.976 0.001 . 1 . . 60 . . 8 GLU HA . 26867 1
65 . 1 1 8 8 GLU HB2 H 1 1.738 0.001 . 2 . . 61 . . 8 GLU HB2 . 26867 1
66 . 1 1 8 8 GLU HB3 H 1 1.814 0.002 . 2 . . 62 . . 8 GLU HB3 . 26867 1
67 . 1 1 8 8 GLU HG2 H 1 2.075 0.004 . 1 . . 63 . . 8 GLU HG2 . 26867 1
68 . 1 1 8 8 GLU N N 15 116.294 0.019 . 1 . . 64 . . 8 GLU N . 26867 1
69 . 1 1 9 9 HIS C C 13 172.105 . . 1 . . 65 . . 9 HIS C . 26867 1
70 . 1 1 9 9 HIS CA C 13 55.140 0.107 . 1 . . 66 . . 9 HIS CA . 26867 1
71 . 1 1 9 9 HIS CB C 13 30.859 0.204 . 1 . . 67 . . 9 HIS CB . 26867 1
72 . 1 1 9 9 HIS H H 1 7.531 0.008 . 1 . . 68 . . 9 HIS H . 26867 1
73 . 1 1 9 9 HIS HA H 1 4.889 0.008 . 1 . . 69 . . 9 HIS HA . 26867 1
74 . 1 1 9 9 HIS HB2 H 1 3.618 0.014 . 2 . . 70 . . 9 HIS HB2 . 26867 1
75 . 1 1 9 9 HIS HB3 H 1 3.257 0.007 . 2 . . 71 . . 9 HIS HB3 . 26867 1
76 . 1 1 9 9 HIS N N 15 114.108 0.044 . 1 . . 72 . . 9 HIS N . 26867 1
77 . 1 1 10 10 VAL C C 13 171.736 . . 1 . . 73 . . 10 VAL C . 26867 1
78 . 1 1 10 10 VAL CA C 13 62.011 0.06 . 1 . . 74 . . 10 VAL CA . 26867 1
79 . 1 1 10 10 VAL CB C 13 33.464 0.013 . 1 . . 75 . . 10 VAL CB . 26867 1
80 . 1 1 10 10 VAL CG1 C 13 22.247 0.019 . 2 . . 76 . . 10 VAL CG1 . 26867 1
81 . 1 1 10 10 VAL CG2 C 13 21.520 0.002 . 2 . . 77 . . 10 VAL CG2 . 26867 1
82 . 1 1 10 10 VAL H H 1 7.530 0.007 . 1 . . 78 . . 10 VAL H . 26867 1
83 . 1 1 10 10 VAL HA H 1 4.538 . . 1 . . 79 . . 10 VAL HA . 26867 1
84 . 1 1 10 10 VAL HB H 1 2.268 0.002 . 1 . . 80 . . 10 VAL HB . 26867 1
85 . 1 1 10 10 VAL HG11 H 1 1.191 0.001 . 2 . . 81 . . 10 VAL HG11 . 26867 1
86 . 1 1 10 10 VAL HG12 H 1 1.191 0.001 . 2 . . 81 . . 10 VAL HG12 . 26867 1
87 . 1 1 10 10 VAL HG13 H 1 1.191 0.001 . 2 . . 81 . . 10 VAL HG13 . 26867 1
88 . 1 1 10 10 VAL HG21 H 1 1.280 0.004 . 2 . . 82 . . 10 VAL HG21 . 26867 1
89 . 1 1 10 10 VAL HG22 H 1 1.280 0.004 . 2 . . 82 . . 10 VAL HG22 . 26867 1
90 . 1 1 10 10 VAL HG23 H 1 1.280 0.004 . 2 . . 82 . . 10 VAL HG23 . 26867 1
91 . 1 1 10 10 VAL N N 15 120.423 0.02 . 1 . . 83 . . 10 VAL N . 26867 1
92 . 1 1 11 11 THR C C 13 172.773 . . 1 . . 84 . . 11 THR C . 26867 1
93 . 1 1 11 11 THR CA C 13 60.063 0.049 . 1 . . 85 . . 11 THR CA . 26867 1
94 . 1 1 11 11 THR CB C 13 71.218 0.03 . 1 . . 86 . . 11 THR CB . 26867 1
95 . 1 1 11 11 THR CG2 C 13 22.095 0.099 . 1 . . 87 . . 11 THR CG2 . 26867 1
96 . 1 1 11 11 THR H H 1 7.536 0.004 . 1 . . 88 . . 11 THR H . 26867 1
97 . 1 1 11 11 THR HA H 1 4.600 . . 1 . . 89 . . 11 THR HA . 26867 1
98 . 1 1 11 11 THR HB H 1 4.169 . . 1 . . 90 . . 11 THR HB . 26867 1
99 . 1 1 11 11 THR HG22 H 1 1.352 . . 1 . . 91 . . 11 THR HG22 . 26867 1
100 . 1 1 11 11 THR HG23 H 1 1.352 . . 1 . . 91 . . 11 THR HG23 . 26867 1
101 . 1 1 11 11 THR HG21 H 1 1.352 . . 1 . . 91 . . 11 THR HG21 . 26867 1
102 . 1 1 11 11 THR N N 15 115.100 0.03 . 1 . . 92 . . 11 THR N . 26867 1
103 . 1 1 12 12 GLN C C 13 175.263 . . 1 . . 93 . . 12 GLN C . 26867 1
104 . 1 1 12 12 GLN CA C 13 58.840 0.03 . 1 . . 94 . . 12 GLN CA . 26867 1
105 . 1 1 12 12 GLN CB C 13 28.098 0.029 . 1 . . 95 . . 12 GLN CB . 26867 1
106 . 1 1 12 12 GLN CD C 13 177.279 0.01 . 1 . . 96 . . 12 GLN CD . 26867 1
107 . 1 1 12 12 GLN CG C 13 33.690 0.027 . 1 . . 97 . . 12 GLN CG . 26867 1
108 . 1 1 12 12 GLN H H 1 8.945 0.007 . 1 . . 98 . . 12 GLN H . 26867 1
109 . 1 1 12 12 GLN HA H 1 3.836 0.002 . 1 . . 99 . . 12 GLN HA . 26867 1
110 . 1 1 12 12 GLN HB2 H 1 2.129 0.002 . 2 . . 100 . . 12 GLN HB2 . 26867 1
111 . 1 1 12 12 GLN HB3 H 1 2.066 0.001 . 2 . . 101 . . 12 GLN HB3 . 26867 1
112 . 1 1 12 12 GLN HE21 H 1 6.693 0.003 . 1 . . 102 . . 12 GLN HE21 . 26867 1
113 . 1 1 12 12 GLN HE22 H 1 7.412 0.004 . 1 . . 103 . . 12 GLN HE22 . 26867 1
114 . 1 1 12 12 GLN HG2 H 1 2.396 0.002 . 1 . . 104 . . 12 GLN HG2 . 26867 1
115 . 1 1 12 12 GLN N N 15 120.356 0.013 . 1 . . 105 . . 12 GLN N . 26867 1
116 . 1 1 12 12 GLN NE2 N 15 112.773 0.001 . 1 . . 106 . . 12 GLN NE2 . 26867 1
117 . 1 1 13 13 ASP C C 13 175.706 . . 1 . . 107 . . 13 ASP C . 26867 1
118 . 1 1 13 13 ASP CA C 13 57.028 0.018 . 1 . . 108 . . 13 ASP CA . 26867 1
119 . 1 1 13 13 ASP CB C 13 40.288 0.034 . 1 . . 109 . . 13 ASP CB . 26867 1
120 . 1 1 13 13 ASP H H 1 8.403 0.006 . 1 . . 110 . . 13 ASP H . 26867 1
121 . 1 1 13 13 ASP HA H 1 4.353 0.001 . 1 . . 111 . . 13 ASP HA . 26867 1
122 . 1 1 13 13 ASP HB2 H 1 2.605 0.001 . 1 . . 112 . . 13 ASP HB2 . 26867 1
123 . 1 1 13 13 ASP N N 15 117.689 0.015 . 1 . . 113 . . 13 ASP N . 26867 1
124 . 1 1 14 14 LEU C C 13 176.181 . . 1 . . 114 . . 14 LEU C . 26867 1
125 . 1 1 14 14 LEU CA C 13 58.196 0.07 . 1 . . 115 . . 14 LEU CA . 26867 1
126 . 1 1 14 14 LEU CB C 13 41.573 0.079 . 1 . . 116 . . 14 LEU CB . 26867 1
127 . 1 1 14 14 LEU CD1 C 13 25.637 0.022 . 2 . . 117 . . 14 LEU CD1 . 26867 1
128 . 1 1 14 14 LEU CD2 C 13 24.171 0.048 . 2 . . 118 . . 14 LEU CD2 . 26867 1
129 . 1 1 14 14 LEU CG C 13 27.636 0.013 . 1 . . 119 . . 14 LEU CG . 26867 1
130 . 1 1 14 14 LEU H H 1 7.633 0.004 . 1 . . 120 . . 14 LEU H . 26867 1
131 . 1 1 14 14 LEU HA H 1 4.275 . . 1 . . 121 . . 14 LEU HA . 26867 1
132 . 1 1 14 14 LEU HB2 H 1 1.910 . . 1 . . 122 . . 14 LEU HB2 . 26867 1
133 . 1 1 14 14 LEU HD11 H 1 1.312 0.004 . 2 . . 123 . . 14 LEU HD11 . 26867 1
134 . 1 1 14 14 LEU HD12 H 1 1.312 0.004 . 2 . . 123 . . 14 LEU HD12 . 26867 1
135 . 1 1 14 14 LEU HD13 H 1 1.312 0.004 . 2 . . 123 . . 14 LEU HD13 . 26867 1
136 . 1 1 14 14 LEU HD21 H 1 1.203 0.003 . 2 . . 124 . . 14 LEU HD21 . 26867 1
137 . 1 1 14 14 LEU HD22 H 1 1.203 0.003 . 2 . . 124 . . 14 LEU HD22 . 26867 1
138 . 1 1 14 14 LEU HD23 H 1 1.203 0.003 . 2 . . 124 . . 14 LEU HD23 . 26867 1
139 . 1 1 14 14 LEU HG H 1 1.912 0.003 . 1 . . 125 . . 14 LEU HG . 26867 1
140 . 1 1 14 14 LEU N N 15 122.813 0.027 . 1 . . 126 . . 14 LEU N . 26867 1
141 . 1 1 15 15 ARG C C 13 176.311 . . 1 . . 127 . . 15 ARG C . 26867 1
142 . 1 1 15 15 ARG CA C 13 60.367 0.005 . 1 . . 128 . . 15 ARG CA . 26867 1
143 . 1 1 15 15 ARG CB C 13 30.510 . . 1 . . 129 . . 15 ARG CB . 26867 1
144 . 1 1 15 15 ARG H H 1 7.820 0.006 . 1 . . 130 . . 15 ARG H . 26867 1
145 . 1 1 15 15 ARG HA H 1 4.037 . . 1 . . 131 . . 15 ARG HA . 26867 1
146 . 1 1 15 15 ARG N N 15 118.227 0.033 . 1 . . 132 . . 15 ARG N . 26867 1
147 . 1 1 16 16 SER C C 13 174.263 . . 1 . . 133 . . 16 SER C . 26867 1
148 . 1 1 16 16 SER CA C 13 61.634 0.139 . 1 . . 134 . . 16 SER CA . 26867 1
149 . 1 1 16 16 SER CB C 13 62.814 0.104 . 1 . . 135 . . 16 SER CB . 26867 1
150 . 1 1 16 16 SER H H 1 8.415 0.004 . 1 . . 136 . . 16 SER H . 26867 1
151 . 1 1 16 16 SER HA H 1 4.097 0.003 . 1 . . 137 . . 16 SER HA . 26867 1
152 . 1 1 16 16 SER HB2 H 1 3.988 0.001 . 2 . . 138 . . 16 SER HB2 . 26867 1
153 . 1 1 16 16 SER HB3 H 1 3.916 . . 2 . . 139 . . 16 SER HB3 . 26867 1
154 . 1 1 16 16 SER N N 15 112.682 0.02 . 1 . . 140 . . 16 SER N . 26867 1
155 . 1 1 17 17 HIS C C 13 174.784 . . 1 . . 141 . . 17 HIS C . 26867 1
156 . 1 1 17 17 HIS CA C 13 59.306 0.003 . 1 . . 142 . . 17 HIS CA . 26867 1
157 . 1 1 17 17 HIS CB C 13 29.490 0.112 . 1 . . 143 . . 17 HIS CB . 26867 1
158 . 1 1 17 17 HIS H H 1 7.976 0.004 . 1 . . 144 . . 17 HIS H . 26867 1
159 . 1 1 17 17 HIS HA H 1 4.382 . . 1 . . 145 . . 17 HIS HA . 26867 1
160 . 1 1 17 17 HIS HB2 H 1 3.508 . . 2 . . 146 . . 17 HIS HB2 . 26867 1
161 . 1 1 17 17 HIS HB3 H 1 3.340 . . 2 . . 147 . . 17 HIS HB3 . 26867 1
162 . 1 1 17 17 HIS N N 15 122.190 0.029 . 1 . . 148 . . 17 HIS N . 26867 1
163 . 1 1 18 18 LEU C C 13 176.421 . . 1 . . 149 . . 18 LEU C . 26867 1
164 . 1 1 18 18 LEU CA C 13 58.277 0.054 . 1 . . 150 . . 18 LEU CA . 26867 1
165 . 1 1 18 18 LEU CB C 13 40.462 0.073 . 1 . . 151 . . 18 LEU CB . 26867 1
166 . 1 1 18 18 LEU H H 1 8.214 0.011 . 1 . . 152 . . 18 LEU H . 26867 1
167 . 1 1 18 18 LEU HB2 H 1 2.168 . . 2 . . 153 . . 18 LEU HB2 . 26867 1
168 . 1 1 18 18 LEU HB3 H 1 1.398 . . 2 . . 154 . . 18 LEU HB3 . 26867 1
169 . 1 1 18 18 LEU N N 15 121.046 0.056 . 1 . . 155 . . 18 LEU N . 26867 1
170 . 1 1 19 19 VAL C C 13 175.194 . . 1 . . 156 . . 19 VAL C . 26867 1
171 . 1 1 19 19 VAL CA C 13 67.682 0.058 . 1 . . 157 . . 19 VAL CA . 26867 1
172 . 1 1 19 19 VAL CB C 13 31.493 0.049 . 1 . . 158 . . 19 VAL CB . 26867 1
173 . 1 1 19 19 VAL CG1 C 13 21.504 0.002 . 2 . . 159 . . 19 VAL CG1 . 26867 1
174 . 1 1 19 19 VAL CG2 C 13 23.912 0.01 . 2 . . 160 . . 19 VAL CG2 . 26867 1
175 . 1 1 19 19 VAL H H 1 8.293 0.005 . 1 . . 161 . . 19 VAL H . 26867 1
176 . 1 1 19 19 VAL HA H 1 3.432 0.003 . 1 . . 162 . . 19 VAL HA . 26867 1
177 . 1 1 19 19 VAL HB H 1 2.255 0.003 . 1 . . 163 . . 19 VAL HB . 26867 1
178 . 1 1 19 19 VAL HG11 H 1 0.852 0.001 . 2 . . 164 . . 19 VAL HG11 . 26867 1
179 . 1 1 19 19 VAL HG12 H 1 0.852 0.001 . 2 . . 164 . . 19 VAL HG12 . 26867 1
180 . 1 1 19 19 VAL HG13 H 1 0.852 0.001 . 2 . . 164 . . 19 VAL HG13 . 26867 1
181 . 1 1 19 19 VAL HG21 H 1 1.035 0.004 . 2 . . 165 . . 19 VAL HG21 . 26867 1
182 . 1 1 19 19 VAL HG22 H 1 1.035 0.004 . 2 . . 165 . . 19 VAL HG22 . 26867 1
183 . 1 1 19 19 VAL HG23 H 1 1.035 0.004 . 2 . . 165 . . 19 VAL HG23 . 26867 1
184 . 1 1 19 19 VAL N N 15 119.781 0.051 . 1 . . 166 . . 19 VAL N . 26867 1
185 . 1 1 20 20 HIS C C 13 174.757 . . 1 . . 167 . . 20 HIS C . 26867 1
186 . 1 1 20 20 HIS CA C 13 59.454 0.048 . 1 . . 168 . . 20 HIS CA . 26867 1
187 . 1 1 20 20 HIS CB C 13 29.401 0.05 . 1 . . 169 . . 20 HIS CB . 26867 1
188 . 1 1 20 20 HIS H H 1 7.925 0.013 . 1 . . 170 . . 20 HIS H . 26867 1
189 . 1 1 20 20 HIS HA H 1 4.225 0.007 . 1 . . 171 . . 20 HIS HA . 26867 1
190 . 1 1 20 20 HIS HB2 H 1 3.358 0.006 . 2 . . 172 . . 20 HIS HB2 . 26867 1
191 . 1 1 20 20 HIS HB3 H 1 3.265 . . 2 . . 173 . . 20 HIS HB3 . 26867 1
192 . 1 1 20 20 HIS N N 15 117.435 0.054 . 1 . . 174 . . 20 HIS N . 26867 1
193 . 1 1 21 21 LYS C C 13 176.568 . . 1 . . 175 . . 21 LYS C . 26867 1
194 . 1 1 21 21 LYS CA C 13 58.880 0.064 . 1 . . 176 . . 21 LYS CA . 26867 1
195 . 1 1 21 21 LYS CB C 13 31.872 0.02 . 1 . . 177 . . 21 LYS CB . 26867 1
196 . 1 1 21 21 LYS CE C 13 41.840 . . 1 . . 178 . . 21 LYS CE . 26867 1
197 . 1 1 21 21 LYS CG C 13 24.701 . . 1 . . 179 . . 21 LYS CG . 26867 1
198 . 1 1 21 21 LYS H H 1 8.117 0.008 . 1 . . 180 . . 21 LYS H . 26867 1
199 . 1 1 21 21 LYS N N 15 119.141 0.015 . 1 . . 181 . . 21 LYS N . 26867 1
200 . 1 1 22 22 LEU C C 13 175.272 . . 1 . . 182 . . 22 LEU C . 26867 1
201 . 1 1 22 22 LEU CA C 13 58.739 0.028 . 1 . . 183 . . 22 LEU CA . 26867 1
202 . 1 1 22 22 LEU CB C 13 42.453 0.041 . 1 . . 184 . . 22 LEU CB . 26867 1
203 . 1 1 22 22 LEU CD1 C 13 26.062 0.001 . 2 . . 185 . . 22 LEU CD1 . 26867 1
204 . 1 1 22 22 LEU CD2 C 13 24.776 . . 2 . . 186 . . 22 LEU CD2 . 26867 1
205 . 1 1 22 22 LEU H H 1 8.002 0.01 . 1 . . 187 . . 22 LEU H . 26867 1
206 . 1 1 22 22 LEU HA H 1 3.958 . . 1 . . 188 . . 22 LEU HA . 26867 1
207 . 1 1 22 22 LEU HB2 H 1 2.092 . . 2 . . 189 . . 22 LEU HB2 . 26867 1
208 . 1 1 22 22 LEU HB3 H 1 1.506 . . 2 . . 190 . . 22 LEU HB3 . 26867 1
209 . 1 1 22 22 LEU N N 15 121.242 0.024 . 1 . . 191 . . 22 LEU N . 26867 1
210 . 1 1 23 23 VAL C C 13 175.117 . . 1 . . 192 . . 23 VAL C . 26867 1
211 . 1 1 23 23 VAL CA C 13 67.536 0.011 . 1 . . 193 . . 23 VAL CA . 26867 1
212 . 1 1 23 23 VAL CB C 13 31.651 0.07 . 1 . . 194 . . 23 VAL CB . 26867 1
213 . 1 1 23 23 VAL CG1 C 13 21.758 0.031 . 2 . . 195 . . 23 VAL CG1 . 26867 1
214 . 1 1 23 23 VAL CG2 C 13 24.130 0.01 . 2 . . 196 . . 23 VAL CG2 . 26867 1
215 . 1 1 23 23 VAL H H 1 8.026 0.015 . 1 . . 197 . . 23 VAL H . 26867 1
216 . 1 1 23 23 VAL HA H 1 3.413 . . 1 . . 198 . . 23 VAL HA . 26867 1
217 . 1 1 23 23 VAL HB H 1 2.266 0.001 . 1 . . 199 . . 23 VAL HB . 26867 1
218 . 1 1 23 23 VAL HG11 H 1 0.973 0.001 . 2 . . 200 . . 23 VAL HG11 . 26867 1
219 . 1 1 23 23 VAL HG12 H 1 0.973 0.001 . 2 . . 200 . . 23 VAL HG12 . 26867 1
220 . 1 1 23 23 VAL HG13 H 1 0.973 0.001 . 2 . . 200 . . 23 VAL HG13 . 26867 1
221 . 1 1 23 23 VAL HG21 H 1 1.017 . . 2 . . 201 . . 23 VAL HG21 . 26867 1
222 . 1 1 23 23 VAL HG22 H 1 1.017 . . 2 . . 201 . . 23 VAL HG22 . 26867 1
223 . 1 1 23 23 VAL HG23 H 1 1.017 . . 2 . . 201 . . 23 VAL HG23 . 26867 1
224 . 1 1 23 23 VAL N N 15 117.765 0.113 . 1 . . 202 . . 23 VAL N . 26867 1
225 . 1 1 24 24 GLN C C 13 174.282 . . 1 . . 203 . . 24 GLN C . 26867 1
226 . 1 1 24 24 GLN CA C 13 57.716 0.08 . 1 . . 204 . . 24 GLN CA . 26867 1
227 . 1 1 24 24 GLN CB C 13 28.983 0.043 . 1 . . 205 . . 24 GLN CB . 26867 1
228 . 1 1 24 24 GLN CD C 13 177.520 0.003 . 1 . . 206 . . 24 GLN CD . 26867 1
229 . 1 1 24 24 GLN CG C 13 34.339 0.004 . 1 . . 207 . . 24 GLN CG . 26867 1
230 . 1 1 24 24 GLN H H 1 8.143 0.006 . 1 . . 208 . . 24 GLN H . 26867 1
231 . 1 1 24 24 GLN HE21 H 1 6.891 0.005 . 1 . . 209 . . 24 GLN HE21 . 26867 1
232 . 1 1 24 24 GLN HE22 H 1 7.160 0.002 . 1 . . 210 . . 24 GLN HE22 . 26867 1
233 . 1 1 24 24 GLN HG2 H 1 2.326 . . 2 . . 211 . . 24 GLN HG2 . 26867 1
234 . 1 1 24 24 GLN HG3 H 1 2.263 . . 2 . . 212 . . 24 GLN HG3 . 26867 1
235 . 1 1 24 24 GLN N N 15 116.235 0.058 . 1 . . 213 . . 24 GLN N . 26867 1
236 . 1 1 24 24 GLN NE2 N 15 111.458 0.012 . 1 . . 214 . . 24 GLN NE2 . 26867 1
237 . 1 1 25 25 ALA C C 13 175.177 . . 1 . . 215 . . 25 ALA C . 26867 1
238 . 1 1 25 25 ALA CA C 13 53.869 0.051 . 1 . . 216 . . 25 ALA CA . 26867 1
239 . 1 1 25 25 ALA CB C 13 19.010 0.046 . 1 . . 217 . . 25 ALA CB . 26867 1
240 . 1 1 25 25 ALA H H 1 7.545 0.006 . 1 . . 218 . . 25 ALA H . 26867 1
241 . 1 1 25 25 ALA HA H 1 4.101 0.002 . 1 . . 219 . . 25 ALA HA . 26867 1
242 . 1 1 25 25 ALA HB3 H 1 1.533 0.002 . 1 . . 220 . . 25 ALA HB3 . 26867 1
243 . 1 1 25 25 ALA HB2 H 1 1.533 0.002 . 1 . . 220 . . 25 ALA HB2 . 26867 1
244 . 1 1 25 25 ALA HB1 H 1 1.533 0.002 . 1 . . 220 . . 25 ALA HB1 . 26867 1
245 . 1 1 25 25 ALA N N 15 119.406 0.024 . 1 . . 221 . . 25 ALA N . 26867 1
246 . 1 1 26 26 ILE C C 13 172.291 . . 1 . . 222 . . 26 ILE C . 26867 1
247 . 1 1 26 26 ILE CA C 13 62.915 0.07 . 1 . . 223 . . 26 ILE CA . 26867 1
248 . 1 1 26 26 ILE CB C 13 39.115 0.068 . 1 . . 224 . . 26 ILE CB . 26867 1
249 . 1 1 26 26 ILE CD1 C 13 14.206 0.08 . 1 . . 225 . . 26 ILE CD1 . 26867 1
250 . 1 1 26 26 ILE CG2 C 13 18.466 0.069 . 1 . . 226 . . 26 ILE CG2 . 26867 1
251 . 1 1 26 26 ILE H H 1 7.425 0.008 . 1 . . 227 . . 26 ILE H . 26867 1
252 . 1 1 26 26 ILE HA H 1 3.812 . . 1 . . 228 . . 26 ILE HA . 26867 1
253 . 1 1 26 26 ILE HB H 1 1.845 0.005 . 1 . . 229 . . 26 ILE HB . 26867 1
254 . 1 1 26 26 ILE HD11 H 1 0.868 0.003 . 1 . . 230 . . 26 ILE HD11 . 26867 1
255 . 1 1 26 26 ILE HD12 H 1 0.868 0.003 . 1 . . 230 . . 26 ILE HD12 . 26867 1
256 . 1 1 26 26 ILE HD13 H 1 0.868 0.003 . 1 . . 230 . . 26 ILE HD13 . 26867 1
257 . 1 1 26 26 ILE HG22 H 1 0.786 0.009 . 1 . . 231 . . 26 ILE HG22 . 26867 1
258 . 1 1 26 26 ILE HG23 H 1 0.786 0.009 . 1 . . 231 . . 26 ILE HG23 . 26867 1
259 . 1 1 26 26 ILE HG21 H 1 0.786 0.009 . 1 . . 231 . . 26 ILE HG21 . 26867 1
260 . 1 1 26 26 ILE N N 15 115.141 0.032 . 1 . . 232 . . 26 ILE N . 26867 1
261 . 1 1 27 27 PHE CA C 13 54.670 0.019 . 1 . . 233 . . 27 PHE CA . 26867 1
262 . 1 1 27 27 PHE CB C 13 40.843 0.046 . 1 . . 234 . . 27 PHE CB . 26867 1
263 . 1 1 27 27 PHE H H 1 8.289 0.004 . 1 . . 235 . . 27 PHE H . 26867 1
264 . 1 1 27 27 PHE HA H 1 4.934 . . 1 . . 236 . . 27 PHE HA . 26867 1
265 . 1 1 27 27 PHE HB2 H 1 3.085 . . 2 . . 237 . . 27 PHE HB2 . 26867 1
266 . 1 1 27 27 PHE HB3 H 1 2.612 0.005 . 2 . . 238 . . 27 PHE HB3 . 26867 1
267 . 1 1 27 27 PHE N N 15 119.419 0.138 . 1 . . 239 . . 27 PHE N . 26867 1
268 . 1 1 28 28 PRO C C 13 174.435 . . 1 . . 240 . . 28 PRO C . 26867 1
269 . 1 1 28 28 PRO CA C 13 63.718 0.064 . 1 . . 241 . . 28 PRO CA . 26867 1
270 . 1 1 28 28 PRO CB C 13 31.559 0.063 . 1 . . 242 . . 28 PRO CB . 26867 1
271 . 1 1 28 28 PRO CD C 13 50.154 0.013 . 1 . . 243 . . 28 PRO CD . 26867 1
272 . 1 1 28 28 PRO CG C 13 27.112 0.058 . 1 . . 244 . . 28 PRO CG . 26867 1
273 . 1 1 28 28 PRO HA H 1 4.501 0.003 . 1 . . 245 . . 28 PRO HA . 26867 1
274 . 1 1 28 28 PRO HB2 H 1 2.198 0.003 . 2 . . 246 . . 28 PRO HB2 . 26867 1
275 . 1 1 28 28 PRO HB3 H 1 1.867 0.001 . 2 . . 247 . . 28 PRO HB3 . 26867 1
276 . 1 1 28 28 PRO HD2 H 1 3.388 0.005 . 2 . . 248 . . 28 PRO HD2 . 26867 1
277 . 1 1 28 28 PRO HD3 H 1 3.384 0.006 . 2 . . 249 . . 28 PRO HD3 . 26867 1
278 . 1 1 28 28 PRO HG2 H 1 1.903 0.013 . 1 . . 250 . . 28 PRO HG2 . 26867 1
279 . 1 1 29 29 THR CA C 13 58.361 0.056 . 1 . . 251 . . 29 THR CA . 26867 1
280 . 1 1 29 29 THR CB C 13 69.875 0.045 . 1 . . 252 . . 29 THR CB . 26867 1
281 . 1 1 29 29 THR CG2 C 13 21.114 0.032 . 1 . . 253 . . 29 THR CG2 . 26867 1
282 . 1 1 29 29 THR H H 1 8.000 0.005 . 1 . . 254 . . 29 THR H . 26867 1
283 . 1 1 29 29 THR HA H 1 4.595 0.003 . 1 . . 255 . . 29 THR HA . 26867 1
284 . 1 1 29 29 THR HB H 1 4.061 0.002 . 1 . . 256 . . 29 THR HB . 26867 1
285 . 1 1 29 29 THR HG22 H 1 1.117 0.002 . 1 . . 257 . . 29 THR HG22 . 26867 1
286 . 1 1 29 29 THR HG23 H 1 1.117 0.002 . 1 . . 257 . . 29 THR HG23 . 26867 1
287 . 1 1 29 29 THR HG21 H 1 1.117 0.002 . 1 . . 257 . . 29 THR HG21 . 26867 1
288 . 1 1 29 29 THR N N 15 115.250 0.05 . 1 . . 258 . . 29 THR N . 26867 1
289 . 1 1 30 30 PRO C C 13 173.475 . . 1 . . 259 . . 30 PRO C . 26867 1
290 . 1 1 30 30 PRO CA C 13 63.526 0.058 . 1 . . 260 . . 30 PRO CA . 26867 1
291 . 1 1 30 30 PRO CB C 13 31.889 . . 1 . . 261 . . 30 PRO CB . 26867 1
292 . 1 1 30 30 PRO CD C 13 50.771 0.017 . 1 . . 262 . . 30 PRO CD . 26867 1
293 . 1 1 30 30 PRO CG C 13 27.073 . . 1 . . 263 . . 30 PRO CG . 26867 1
294 . 1 1 30 30 PRO HA H 1 4.341 . . 1 . . 264 . . 30 PRO HA . 26867 1
295 . 1 1 30 30 PRO HD2 H 1 3.615 0.002 . 2 . . 265 . . 30 PRO HD2 . 26867 1
296 . 1 1 30 30 PRO HD3 H 1 3.702 0.015 . 2 . . 266 . . 30 PRO HD3 . 26867 1
297 . 1 1 31 31 ASP CA C 13 51.340 0.037 . 1 . . 267 . . 31 ASP CA . 26867 1
298 . 1 1 31 31 ASP CB C 13 41.994 0.035 . 1 . . 268 . . 31 ASP CB . 26867 1
299 . 1 1 31 31 ASP H H 1 7.905 0.009 . 1 . . 269 . . 31 ASP H . 26867 1
300 . 1 1 31 31 ASP HA H 1 4.929 0.003 . 1 . . 270 . . 31 ASP HA . 26867 1
301 . 1 1 31 31 ASP HB2 H 1 2.614 0.007 . 2 . . 271 . . 31 ASP HB2 . 26867 1
302 . 1 1 31 31 ASP HB3 H 1 2.818 . . 2 . . 272 . . 31 ASP HB3 . 26867 1
303 . 1 1 31 31 ASP N N 15 119.712 0.046 . 1 . . 273 . . 31 ASP N . 26867 1
304 . 1 1 32 32 PRO C C 13 175.404 . . 1 . . 274 . . 32 PRO C . 26867 1
305 . 1 1 32 32 PRO CA C 13 64.646 0.042 . 1 . . 275 . . 32 PRO CA . 26867 1
306 . 1 1 32 32 PRO CB C 13 32.000 0.01 . 1 . . 276 . . 32 PRO CB . 26867 1
307 . 1 1 32 32 PRO CD C 13 50.976 0.023 . 1 . . 277 . . 32 PRO CD . 26867 1
308 . 1 1 32 32 PRO CG C 13 27.326 . . 1 . . 278 . . 32 PRO CG . 26867 1
309 . 1 1 32 32 PRO HA H 1 4.195 0.003 . 1 . . 279 . . 32 PRO HA . 26867 1
310 . 1 1 32 32 PRO HD2 H 1 3.900 0.001 . 1 . . 280 . . 32 PRO HD2 . 26867 1
311 . 1 1 33 33 ALA C C 13 176.552 . . 1 . . 281 . . 33 ALA C . 26867 1
312 . 1 1 33 33 ALA CA C 13 53.814 0.045 . 1 . . 282 . . 33 ALA CA . 26867 1
313 . 1 1 33 33 ALA CB C 13 18.411 0.077 . 1 . . 283 . . 33 ALA CB . 26867 1
314 . 1 1 33 33 ALA H H 1 8.314 0.006 . 1 . . 284 . . 33 ALA H . 26867 1
315 . 1 1 33 33 ALA HA H 1 4.150 0.004 . 1 . . 285 . . 33 ALA HA . 26867 1
316 . 1 1 33 33 ALA HB3 H 1 1.417 0.004 . 1 . . 286 . . 33 ALA HB3 . 26867 1
317 . 1 1 33 33 ALA HB2 H 1 1.417 0.004 . 1 . . 286 . . 33 ALA HB2 . 26867 1
318 . 1 1 33 33 ALA HB1 H 1 1.417 0.004 . 1 . . 286 . . 33 ALA HB1 . 26867 1
319 . 1 1 33 33 ALA N N 15 120.808 0.018 . 1 . . 287 . . 33 ALA N . 26867 1
320 . 1 1 34 34 ALA C C 13 175.617 . . 1 . . 288 . . 34 ALA C . 26867 1
321 . 1 1 34 34 ALA CA C 13 53.597 0.053 . 1 . . 289 . . 34 ALA CA . 26867 1
322 . 1 1 34 34 ALA CB C 13 18.981 0.116 . 1 . . 290 . . 34 ALA CB . 26867 1
323 . 1 1 34 34 ALA H H 1 7.780 0.004 . 1 . . 291 . . 34 ALA H . 26867 1
324 . 1 1 34 34 ALA HA H 1 4.231 0.007 . 1 . . 292 . . 34 ALA HA . 26867 1
325 . 1 1 34 34 ALA HB3 H 1 1.507 0.011 . 1 . . 293 . . 34 ALA HB3 . 26867 1
326 . 1 1 34 34 ALA HB2 H 1 1.507 0.011 . 1 . . 293 . . 34 ALA HB2 . 26867 1
327 . 1 1 34 34 ALA HB1 H 1 1.507 0.011 . 1 . . 293 . . 34 ALA HB1 . 26867 1
328 . 1 1 34 34 ALA N N 15 120.910 0.013 . 1 . . 294 . . 34 ALA N . 26867 1
329 . 1 1 35 35 LEU C C 13 174.794 . . 1 . . 295 . . 35 LEU C . 26867 1
330 . 1 1 35 35 LEU CA C 13 56.137 0.042 . 1 . . 296 . . 35 LEU CA . 26867 1
331 . 1 1 35 35 LEU CB C 13 41.604 0.025 . 1 . . 297 . . 35 LEU CB . 26867 1
332 . 1 1 35 35 LEU CD1 C 13 25.123 0.043 . 1 . . 298 . . 35 LEU CD1 . 26867 1
333 . 1 1 35 35 LEU H H 1 7.516 0.013 . 1 . . 299 . . 35 LEU H . 26867 1
334 . 1 1 35 35 LEU HA H 1 4.143 0.005 . 1 . . 300 . . 35 LEU HA . 26867 1
335 . 1 1 35 35 LEU HD12 H 1 0.876 0.005 . 1 . . 301 . . 35 LEU HD12 . 26867 1
336 . 1 1 35 35 LEU HD11 H 1 0.876 0.005 . 1 . . 301 . . 35 LEU HD11 . 26867 1
337 . 1 1 35 35 LEU HD13 H 1 0.876 0.005 . 1 . . 301 . . 35 LEU HD13 . 26867 1
338 . 1 1 35 35 LEU N N 15 116.262 0.106 . 1 . . 302 . . 35 LEU N . 26867 1
339 . 1 1 36 36 LYS C C 13 173.495 . . 1 . . 303 . . 36 LYS C . 26867 1
340 . 1 1 36 36 LYS CA C 13 56.122 0.023 . 1 . . 304 . . 36 LYS CA . 26867 1
341 . 1 1 36 36 LYS CB C 13 32.610 0.036 . 1 . . 305 . . 36 LYS CB . 26867 1
342 . 1 1 36 36 LYS CD C 13 29.216 0.003 . 1 . . 306 . . 36 LYS CD . 26867 1
343 . 1 1 36 36 LYS CE C 13 42.101 0.001 . 1 . . 307 . . 36 LYS CE . 26867 1
344 . 1 1 36 36 LYS CG C 13 24.859 0.051 . 1 . . 308 . . 36 LYS CG . 26867 1
345 . 1 1 36 36 LYS H H 1 7.681 0.017 . 1 . . 309 . . 36 LYS H . 26867 1
346 . 1 1 36 36 LYS HA H 1 4.297 0.003 . 1 . . 310 . . 36 LYS HA . 26867 1
347 . 1 1 36 36 LYS HB2 H 1 1.929 0.004 . 2 . . 311 . . 36 LYS HB2 . 26867 1
348 . 1 1 36 36 LYS HB3 H 1 1.786 0.002 . 2 . . 312 . . 36 LYS HB3 . 26867 1
349 . 1 1 36 36 LYS HD2 H 1 1.680 0.003 . 1 . . 313 . . 36 LYS HD2 . 26867 1
350 . 1 1 36 36 LYS HE2 H 1 2.983 0.002 . 1 . . 314 . . 36 LYS HE2 . 26867 1
351 . 1 1 36 36 LYS HG2 H 1 1.400 0.003 . 2 . . 315 . . 36 LYS HG2 . 26867 1
352 . 1 1 36 36 LYS HG3 H 1 1.442 0.002 . 2 . . 316 . . 36 LYS HG3 . 26867 1
353 . 1 1 36 36 LYS N N 15 118.072 0.112 . 1 . . 317 . . 36 LYS N . 26867 1
354 . 1 1 37 37 ASP C C 13 174.643 . . 1 . . 318 . . 37 ASP C . 26867 1
355 . 1 1 37 37 ASP CA C 13 54.331 0.036 . 1 . . 319 . . 37 ASP CA . 26867 1
356 . 1 1 37 37 ASP CB C 13 42.577 0.063 . 1 . . 320 . . 37 ASP CB . 26867 1
357 . 1 1 37 37 ASP H H 1 7.718 0.015 . 1 . . 321 . . 37 ASP H . 26867 1
358 . 1 1 37 37 ASP HA H 1 4.557 0.005 . 1 . . 322 . . 37 ASP HA . 26867 1
359 . 1 1 37 37 ASP HB2 H 1 2.773 0.003 . 1 . . 323 . . 37 ASP HB2 . 26867 1
360 . 1 1 37 37 ASP N N 15 120.971 0.041 . 1 . . 324 . . 37 ASP N . 26867 1
361 . 1 1 38 38 ARG C C 13 175.150 . . 1 . . 325 . . 38 ARG C . 26867 1
362 . 1 1 38 38 ARG CA C 13 58.195 . . 1 . . 326 . . 38 ARG CA . 26867 1
363 . 1 1 38 38 ARG CB C 13 29.749 . . 1 . . 327 . . 38 ARG CB . 26867 1
364 . 1 1 38 38 ARG CD C 13 43.179 . . 1 . . 328 . . 38 ARG CD . 26867 1
365 . 1 1 38 38 ARG H H 1 8.691 0.015 . 1 . . 329 . . 38 ARG H . 26867 1
366 . 1 1 38 38 ARG N N 15 124.540 0.127 . 1 . . 330 . . 38 ARG N . 26867 1
367 . 1 1 39 39 ARG C C 13 175.555 . . 1 . . 331 . . 39 ARG C . 26867 1
368 . 1 1 39 39 ARG CA C 13 58.609 0.035 . 1 . . 332 . . 39 ARG CA . 26867 1
369 . 1 1 39 39 ARG CB C 13 30.012 0.004 . 1 . . 333 . . 39 ARG CB . 26867 1
370 . 1 1 39 39 ARG CD C 13 43.412 0.054 . 1 . . 334 . . 39 ARG CD . 26867 1
371 . 1 1 39 39 ARG CG C 13 27.461 0.002 . 1 . . 335 . . 39 ARG CG . 26867 1
372 . 1 1 39 39 ARG H H 1 8.803 0.023 . 1 . . 336 . . 39 ARG H . 26867 1
373 . 1 1 39 39 ARG HA H 1 4.170 . . 1 . . 337 . . 39 ARG HA . 26867 1
374 . 1 1 39 39 ARG HB2 H 1 1.830 . . 1 . . 338 . . 39 ARG HB2 . 26867 1
375 . 1 1 39 39 ARG HD2 H 1 3.198 0.013 . 1 . . 339 . . 39 ARG HD2 . 26867 1
376 . 1 1 39 39 ARG HG2 H 1 1.691 0.002 . 1 . . 340 . . 39 ARG HG2 . 26867 1
377 . 1 1 39 39 ARG N N 15 119.209 0.073 . 1 . . 341 . . 39 ARG N . 26867 1
378 . 1 1 40 40 MET C C 13 174.937 . . 1 . . 342 . . 40 MET C . 26867 1
379 . 1 1 40 40 MET CA C 13 56.061 0.07 . 1 . . 343 . . 40 MET CA . 26867 1
380 . 1 1 40 40 MET CB C 13 31.622 . . 1 . . 344 . . 40 MET CB . 26867 1
381 . 1 1 40 40 MET CE C 13 17.310 0.069 . 1 . . 345 . . 40 MET CE . 26867 1
382 . 1 1 40 40 MET CG C 13 32.687 0.05 . 1 . . 346 . . 40 MET CG . 26867 1
383 . 1 1 40 40 MET H H 1 8.006 0.01 . 1 . . 347 . . 40 MET H . 26867 1
384 . 1 1 40 40 MET HA H 1 4.434 0.029 . 1 . . 348 . . 40 MET HA . 26867 1
385 . 1 1 40 40 MET HB2 H 1 2.031 . . 1 . . 349 . . 40 MET HB2 . 26867 1
386 . 1 1 40 40 MET HE2 H 1 1.854 0.005 . 1 . . 350 . . 40 MET HE2 . 26867 1
387 . 1 1 40 40 MET HE3 H 1 1.854 0.005 . 1 . . 350 . . 40 MET HE3 . 26867 1
388 . 1 1 40 40 MET HE1 H 1 1.854 0.005 . 1 . . 350 . . 40 MET HE1 . 26867 1
389 . 1 1 40 40 MET HG2 H 1 2.623 0.004 . 2 . . 351 . . 40 MET HG2 . 26867 1
390 . 1 1 40 40 MET HG3 H 1 2.432 0.004 . 2 . . 352 . . 40 MET HG3 . 26867 1
391 . 1 1 40 40 MET N N 15 117.058 0.082 . 1 . . 353 . . 40 MET N . 26867 1
392 . 1 1 41 41 GLU C C 13 176.383 . . 1 . . 354 . . 41 GLU C . 26867 1
393 . 1 1 41 41 GLU CA C 13 59.984 0.02 . 1 . . 355 . . 41 GLU CA . 26867 1
394 . 1 1 41 41 GLU CB C 13 29.391 0.013 . 1 . . 356 . . 41 GLU CB . 26867 1
395 . 1 1 41 41 GLU CG C 13 36.344 0.003 . 1 . . 357 . . 41 GLU CG . 26867 1
396 . 1 1 41 41 GLU H H 1 7.988 0.007 . 1 . . 358 . . 41 GLU H . 26867 1
397 . 1 1 41 41 GLU HA H 1 3.970 0.003 . 1 . . 359 . . 41 GLU HA . 26867 1
398 . 1 1 41 41 GLU HB2 H 1 2.044 0.002 . 1 . . 360 . . 41 GLU HB2 . 26867 1
399 . 1 1 41 41 GLU HG2 H 1 2.353 0.001 . 1 . . 361 . . 41 GLU HG2 . 26867 1
400 . 1 1 41 41 GLU N N 15 119.590 0.026 . 1 . . 362 . . 41 GLU N . 26867 1
401 . 1 1 42 42 ASN C C 13 174.860 . . 1 . . 363 . . 42 ASN C . 26867 1
402 . 1 1 42 42 ASN CA C 13 55.874 0.096 . 1 . . 364 . . 42 ASN CA . 26867 1
403 . 1 1 42 42 ASN CB C 13 37.863 0.049 . 1 . . 365 . . 42 ASN CB . 26867 1
404 . 1 1 42 42 ASN CG C 13 172.938 0.004 . 1 . . 366 . . 42 ASN CG . 26867 1
405 . 1 1 42 42 ASN H H 1 8.382 0.01 . 1 . . 367 . . 42 ASN H . 26867 1
406 . 1 1 42 42 ASN HA H 1 4.576 . . 1 . . 368 . . 42 ASN HA . 26867 1
407 . 1 1 42 42 ASN HB2 H 1 2.759 0.007 . 2 . . 369 . . 42 ASN HB2 . 26867 1
408 . 1 1 42 42 ASN HB3 H 1 2.916 0.014 . 2 . . 370 . . 42 ASN HB3 . 26867 1
409 . 1 1 42 42 ASN HD21 H 1 6.964 0.002 . 1 . . 371 . . 42 ASN HD21 . 26867 1
410 . 1 1 42 42 ASN HD22 H 1 7.613 0.008 . 1 . . 372 . . 42 ASN HD22 . 26867 1
411 . 1 1 42 42 ASN N N 15 117.620 0.029 . 1 . . 373 . . 42 ASN N . 26867 1
412 . 1 1 42 42 ASN ND2 N 15 112.089 0.001 . 1 . . 374 . . 42 ASN ND2 . 26867 1
413 . 1 1 43 43 LEU C C 13 175.426 . . 1 . . 375 . . 43 LEU C . 26867 1
414 . 1 1 43 43 LEU CA C 13 58.180 0.001 . 1 . . 376 . . 43 LEU CA . 26867 1
415 . 1 1 43 43 LEU CB C 13 41.665 0.047 . 1 . . 377 . . 43 LEU CB . 26867 1
416 . 1 1 43 43 LEU CD1 C 13 23.067 0.055 . 2 . . 378 . . 43 LEU CD1 . 26867 1
417 . 1 1 43 43 LEU CD2 C 13 25.311 0.012 . 2 . . 379 . . 43 LEU CD2 . 26867 1
418 . 1 1 43 43 LEU CG C 13 27.499 0.006 . 1 . . 380 . . 43 LEU CG . 26867 1
419 . 1 1 43 43 LEU H H 1 7.834 0.012 . 1 . . 381 . . 43 LEU H . 26867 1
420 . 1 1 43 43 LEU HA H 1 4.146 . . 1 . . 382 . . 43 LEU HA . 26867 1
421 . 1 1 43 43 LEU HB2 H 1 1.786 0.004 . 2 . . 383 . . 43 LEU HB2 . 26867 1
422 . 1 1 43 43 LEU HB3 H 1 1.708 . . 2 . . 384 . . 43 LEU HB3 . 26867 1
423 . 1 1 43 43 LEU HD11 H 1 0.770 0.004 . 2 . . 385 . . 43 LEU HD11 . 26867 1
424 . 1 1 43 43 LEU HD12 H 1 0.770 0.004 . 2 . . 385 . . 43 LEU HD12 . 26867 1
425 . 1 1 43 43 LEU HD13 H 1 0.770 0.004 . 2 . . 385 . . 43 LEU HD13 . 26867 1
426 . 1 1 43 43 LEU HD21 H 1 1.007 0.004 . 2 . . 386 . . 43 LEU HD21 . 26867 1
427 . 1 1 43 43 LEU HD22 H 1 1.007 0.004 . 2 . . 386 . . 43 LEU HD22 . 26867 1
428 . 1 1 43 43 LEU HD23 H 1 1.007 0.004 . 2 . . 386 . . 43 LEU HD23 . 26867 1
429 . 1 1 43 43 LEU HG H 1 1.973 0.001 . 1 . . 387 . . 43 LEU HG . 26867 1
430 . 1 1 43 43 LEU N N 15 122.735 0.092 . 1 . . 388 . . 43 LEU N . 26867 1
431 . 1 1 44 44 VAL C C 13 174.791 . . 1 . . 389 . . 44 VAL C . 26867 1
432 . 1 1 44 44 VAL CA C 13 66.858 0.027 . 1 . . 390 . . 44 VAL CA . 26867 1
433 . 1 1 44 44 VAL CB C 13 31.739 0.057 . 1 . . 391 . . 44 VAL CB . 26867 1
434 . 1 1 44 44 VAL CG1 C 13 21.448 0.001 . 2 . . 392 . . 44 VAL CG1 . 26867 1
435 . 1 1 44 44 VAL CG2 C 13 23.351 0.093 . 2 . . 393 . . 44 VAL CG2 . 26867 1
436 . 1 1 44 44 VAL H H 1 8.280 0.016 . 1 . . 394 . . 44 VAL H . 26867 1
437 . 1 1 44 44 VAL HA H 1 3.452 0.003 . 1 . . 395 . . 44 VAL HA . 26867 1
438 . 1 1 44 44 VAL HB H 1 2.103 0.007 . 1 . . 396 . . 44 VAL HB . 26867 1
439 . 1 1 44 44 VAL HG11 H 1 0.917 0.001 . 2 . . 397 . . 44 VAL HG11 . 26867 1
440 . 1 1 44 44 VAL HG12 H 1 0.917 0.001 . 2 . . 397 . . 44 VAL HG12 . 26867 1
441 . 1 1 44 44 VAL HG13 H 1 0.917 0.001 . 2 . . 397 . . 44 VAL HG13 . 26867 1
442 . 1 1 44 44 VAL HG21 H 1 1.087 0.003 . 2 . . 398 . . 44 VAL HG21 . 26867 1
443 . 1 1 44 44 VAL HG22 H 1 1.087 0.003 . 2 . . 398 . . 44 VAL HG22 . 26867 1
444 . 1 1 44 44 VAL HG23 H 1 1.087 0.003 . 2 . . 398 . . 44 VAL HG23 . 26867 1
445 . 1 1 44 44 VAL N N 15 119.561 0.058 . 1 . . 399 . . 44 VAL N . 26867 1
446 . 1 1 45 45 ALA C C 13 178.093 . . 1 . . 400 . . 45 ALA C . 26867 1
447 . 1 1 45 45 ALA CA C 13 55.404 0.04 . 1 . . 401 . . 45 ALA CA . 26867 1
448 . 1 1 45 45 ALA CB C 13 18.099 0.058 . 1 . . 402 . . 45 ALA CB . 26867 1
449 . 1 1 45 45 ALA H H 1 8.008 0.018 . 1 . . 403 . . 45 ALA H . 26867 1
450 . 1 1 45 45 ALA HA H 1 4.048 0.002 . 1 . . 404 . . 45 ALA HA . 26867 1
451 . 1 1 45 45 ALA HB3 H 1 1.553 0.004 . 1 . . 405 . . 45 ALA HB3 . 26867 1
452 . 1 1 45 45 ALA HB2 H 1 1.553 0.004 . 1 . . 405 . . 45 ALA HB2 . 26867 1
453 . 1 1 45 45 ALA HB1 H 1 1.553 0.004 . 1 . . 405 . . 45 ALA HB1 . 26867 1
454 . 1 1 45 45 ALA N N 15 120.618 0.028 . 1 . . 406 . . 45 ALA N . 26867 1
455 . 1 1 46 46 TYR C C 13 173.802 . . 1 . . 407 . . 46 TYR C . 26867 1
456 . 1 1 46 46 TYR CA C 13 61.271 0.08 . 1 . . 408 . . 46 TYR CA . 26867 1
457 . 1 1 46 46 TYR CB C 13 38.270 0.051 . 1 . . 409 . . 46 TYR CB . 26867 1
458 . 1 1 46 46 TYR H H 1 7.884 0.007 . 1 . . 410 . . 46 TYR H . 26867 1
459 . 1 1 46 46 TYR HA H 1 4.234 0.007 . 1 . . 411 . . 46 TYR HA . 26867 1
460 . 1 1 46 46 TYR HB2 H 1 3.168 0.013 . 2 . . 412 . . 46 TYR HB2 . 26867 1
461 . 1 1 46 46 TYR HB3 H 1 3.294 0.004 . 2 . . 413 . . 46 TYR HB3 . 26867 1
462 . 1 1 46 46 TYR N N 15 120.055 0.023 . 1 . . 414 . . 46 TYR N . 26867 1
463 . 1 1 47 47 ALA C C 13 176.308 . . 1 . . 415 . . 47 ALA C . 26867 1
464 . 1 1 47 47 ALA CA C 13 55.209 0.02 . 1 . . 416 . . 47 ALA CA . 26867 1
465 . 1 1 47 47 ALA CB C 13 20.363 0.045 . 1 . . 417 . . 47 ALA CB . 26867 1
466 . 1 1 47 47 ALA H H 1 8.439 0.01 . 1 . . 418 . . 47 ALA H . 26867 1
467 . 1 1 47 47 ALA HA H 1 3.730 0.003 . 1 . . 419 . . 47 ALA HA . 26867 1
468 . 1 1 47 47 ALA HB3 H 1 1.551 0.005 . 1 . . 420 . . 47 ALA HB3 . 26867 1
469 . 1 1 47 47 ALA HB2 H 1 1.551 0.005 . 1 . . 420 . . 47 ALA HB2 . 26867 1
470 . 1 1 47 47 ALA HB1 H 1 1.551 0.005 . 1 . . 420 . . 47 ALA HB1 . 26867 1
471 . 1 1 47 47 ALA N N 15 122.100 0.049 . 1 . . 421 . . 47 ALA N . 26867 1
472 . 1 1 48 48 LYS C C 13 177.389 . . 1 . . 422 . . 48 LYS C . 26867 1
473 . 1 1 48 48 LYS CA C 13 59.639 0.016 . 1 . . 423 . . 48 LYS CA . 26867 1
474 . 1 1 48 48 LYS CB C 13 32.908 0.025 . 1 . . 424 . . 48 LYS CB . 26867 1
475 . 1 1 48 48 LYS CD C 13 29.775 0.051 . 1 . . 425 . . 48 LYS CD . 26867 1
476 . 1 1 48 48 LYS CE C 13 41.896 0.041 . 1 . . 426 . . 48 LYS CE . 26867 1
477 . 1 1 48 48 LYS CG C 13 26.865 0.042 . 1 . . 427 . . 48 LYS CG . 26867 1
478 . 1 1 48 48 LYS H H 1 8.686 0.005 . 1 . . 428 . . 48 LYS H . 26867 1
479 . 1 1 48 48 LYS HA H 1 4.023 . . 1 . . 429 . . 48 LYS HA . 26867 1
480 . 1 1 48 48 LYS HB2 H 1 1.854 . . 1 . . 430 . . 48 LYS HB2 . 26867 1
481 . 1 1 48 48 LYS HD2 H 1 1.645 . . 1 . . 431 . . 48 LYS HD2 . 26867 1
482 . 1 1 48 48 LYS HE2 H 1 2.901 . . 1 . . 432 . . 48 LYS HE2 . 26867 1
483 . 1 1 48 48 LYS HG2 H 1 1.385 . . 1 . . 433 . . 48 LYS HG2 . 26867 1
484 . 1 1 48 48 LYS N N 15 115.885 0.027 . 1 . . 434 . . 48 LYS N . 26867 1
485 . 1 1 49 49 LYS C C 13 175.845 . . 1 . . 435 . . 49 LYS C . 26867 1
486 . 1 1 49 49 LYS CA C 13 59.320 . . 1 . . 436 . . 49 LYS CA . 26867 1
487 . 1 1 49 49 LYS CB C 13 32.081 . . 1 . . 437 . . 49 LYS CB . 26867 1
488 . 1 1 49 49 LYS H H 1 7.802 0.004 . 1 . . 438 . . 49 LYS H . 26867 1
489 . 1 1 49 49 LYS N N 15 123.427 0.048 . 1 . . 439 . . 49 LYS N . 26867 1
490 . 1 1 50 50 VAL C C 13 175.778 . . 1 . . 440 . . 50 VAL C . 26867 1
491 . 1 1 50 50 VAL CA C 13 65.891 0.046 . 1 . . 441 . . 50 VAL CA . 26867 1
492 . 1 1 50 50 VAL CB C 13 31.749 0.051 . 1 . . 442 . . 50 VAL CB . 26867 1
493 . 1 1 50 50 VAL CG1 C 13 22.052 0.029 . 2 . . 443 . . 50 VAL CG1 . 26867 1
494 . 1 1 50 50 VAL CG2 C 13 22.005 0.031 . 2 . . 444 . . 50 VAL CG2 . 26867 1
495 . 1 1 50 50 VAL H H 1 8.039 0.006 . 1 . . 445 . . 50 VAL H . 26867 1
496 . 1 1 50 50 VAL HA H 1 3.729 0.012 . 1 . . 446 . . 50 VAL HA . 26867 1
497 . 1 1 50 50 VAL HB H 1 1.907 0.005 . 1 . . 447 . . 50 VAL HB . 26867 1
498 . 1 1 50 50 VAL HG11 H 1 0.625 0.005 . 2 . . 448 . . 50 VAL HG11 . 26867 1
499 . 1 1 50 50 VAL HG12 H 1 0.625 0.005 . 2 . . 448 . . 50 VAL HG12 . 26867 1
500 . 1 1 50 50 VAL HG13 H 1 0.625 0.005 . 2 . . 448 . . 50 VAL HG13 . 26867 1
501 . 1 1 50 50 VAL HG21 H 1 0.842 0.003 . 2 . . 449 . . 50 VAL HG21 . 26867 1
502 . 1 1 50 50 VAL HG22 H 1 0.842 0.003 . 2 . . 449 . . 50 VAL HG22 . 26867 1
503 . 1 1 50 50 VAL HG23 H 1 0.842 0.003 . 2 . . 449 . . 50 VAL HG23 . 26867 1
504 . 1 1 50 50 VAL N N 15 119.000 0.007 . 1 . . 450 . . 50 VAL N . 26867 1
505 . 1 1 51 51 GLU C C 13 175.948 . . 1 . . 451 . . 51 GLU C . 26867 1
506 . 1 1 51 51 GLU CA C 13 61.513 0.054 . 1 . . 452 . . 51 GLU CA . 26867 1
507 . 1 1 51 51 GLU CB C 13 28.775 0.083 . 1 . . 453 . . 51 GLU CB . 26867 1
508 . 1 1 51 51 GLU CG C 13 35.466 . . 1 . . 454 . . 51 GLU CG . 26867 1
509 . 1 1 51 51 GLU H H 1 8.490 0.007 . 1 . . 455 . . 51 GLU H . 26867 1
510 . 1 1 51 51 GLU HA H 1 3.888 0.008 . 1 . . 456 . . 51 GLU HA . 26867 1
511 . 1 1 51 51 GLU HB2 H 1 2.315 0.001 . 1 . . 457 . . 51 GLU HB2 . 26867 1
512 . 1 1 51 51 GLU HG2 H 1 2.370 . . 1 . . 458 . . 51 GLU HG2 . 26867 1
513 . 1 1 51 51 GLU N N 15 120.292 0.043 . 1 . . 459 . . 51 GLU N . 26867 1
514 . 1 1 52 52 GLY C C 13 173.883 . . 1 . . 460 . . 52 GLY C . 26867 1
515 . 1 1 52 52 GLY CA C 13 47.410 0.041 . 1 . . 461 . . 52 GLY CA . 26867 1
516 . 1 1 52 52 GLY H H 1 8.136 0.01 . 1 . . 462 . . 52 GLY H . 26867 1
517 . 1 1 52 52 GLY HA2 H 1 3.917 . . 2 . . 463 . . 52 GLY HA2 . 26867 1
518 . 1 1 52 52 GLY HA3 H 1 3.599 0.002 . 2 . . 464 . . 52 GLY HA3 . 26867 1
519 . 1 1 52 52 GLY N N 15 106.793 0.022 . 1 . . 465 . . 52 GLY N . 26867 1
520 . 1 1 53 53 ASP C C 13 177.310 . . 1 . . 466 . . 53 ASP C . 26867 1
521 . 1 1 53 53 ASP CA C 13 57.070 0.032 . 1 . . 467 . . 53 ASP CA . 26867 1
522 . 1 1 53 53 ASP CB C 13 40.229 0.048 . 1 . . 468 . . 53 ASP CB . 26867 1
523 . 1 1 53 53 ASP H H 1 8.218 0.005 . 1 . . 469 . . 53 ASP H . 26867 1
524 . 1 1 53 53 ASP HA H 1 4.578 0.003 . 1 . . 470 . . 53 ASP HA . 26867 1
525 . 1 1 53 53 ASP HB2 H 1 2.741 0.005 . 2 . . 471 . . 53 ASP HB2 . 26867 1
526 . 1 1 53 53 ASP HB3 H 1 2.955 0.012 . 2 . . 472 . . 53 ASP HB3 . 26867 1
527 . 1 1 53 53 ASP N N 15 122.526 0.032 . 1 . . 473 . . 53 ASP N . 26867 1
528 . 1 1 54 54 MET C C 13 174.931 . . 1 . . 474 . . 54 MET C . 26867 1
529 . 1 1 54 54 MET CA C 13 58.630 0.075 . 1 . . 475 . . 54 MET CA . 26867 1
530 . 1 1 54 54 MET CB C 13 32.708 0.193 . 1 . . 476 . . 54 MET CB . 26867 1
531 . 1 1 54 54 MET CE C 13 19.188 0.023 . 1 . . 477 . . 54 MET CE . 26867 1
532 . 1 1 54 54 MET CG C 13 33.259 0.018 . 1 . . 478 . . 54 MET CG . 26867 1
533 . 1 1 54 54 MET H H 1 8.128 0.006 . 1 . . 479 . . 54 MET H . 26867 1
534 . 1 1 54 54 MET HA H 1 4.415 0.007 . 1 . . 480 . . 54 MET HA . 26867 1
535 . 1 1 54 54 MET HB2 H 1 1.943 . . 1 . . 481 . . 54 MET HB2 . 26867 1
536 . 1 1 54 54 MET HE2 H 1 2.019 0.004 . 1 . . 482 . . 54 MET HE2 . 26867 1
537 . 1 1 54 54 MET HE3 H 1 2.019 0.004 . 1 . . 482 . . 54 MET HE3 . 26867 1
538 . 1 1 54 54 MET HE1 H 1 2.019 0.004 . 1 . . 482 . . 54 MET HE1 . 26867 1
539 . 1 1 54 54 MET HG2 H 1 2.853 0.002 . 2 . . 483 . . 54 MET HG2 . 26867 1
540 . 1 1 54 54 MET HG3 H 1 2.739 0.01 . 2 . . 484 . . 54 MET HG3 . 26867 1
541 . 1 1 54 54 MET N N 15 121.062 0.077 . 1 . . 485 . . 54 MET N . 26867 1
542 . 1 1 55 55 TYR C C 13 174.981 . . 1 . . 486 . . 55 TYR C . 26867 1
543 . 1 1 55 55 TYR CA C 13 62.021 0.075 . 1 . . 487 . . 55 TYR CA . 26867 1
544 . 1 1 55 55 TYR CB C 13 39.036 0.045 . 1 . . 488 . . 55 TYR CB . 26867 1
545 . 1 1 55 55 TYR H H 1 9.296 0.006 . 1 . . 489 . . 55 TYR H . 26867 1
546 . 1 1 55 55 TYR HA H 1 4.328 . . 1 . . 490 . . 55 TYR HA . 26867 1
547 . 1 1 55 55 TYR HB2 H 1 3.553 . . 2 . . 491 . . 55 TYR HB2 . 26867 1
548 . 1 1 55 55 TYR HB3 H 1 3.101 . . 2 . . 492 . . 55 TYR HB3 . 26867 1
549 . 1 1 55 55 TYR N N 15 121.458 0.055 . 1 . . 493 . . 55 TYR N . 26867 1
550 . 1 1 56 56 GLU C C 13 175.597 . . 1 . . 494 . . 56 GLU C . 26867 1
551 . 1 1 56 56 GLU CA C 13 58.022 0.09 . 1 . . 495 . . 56 GLU CA . 26867 1
552 . 1 1 56 56 GLU CB C 13 30.162 0.044 . 1 . . 496 . . 56 GLU CB . 26867 1
553 . 1 1 56 56 GLU CG C 13 36.251 0.061 . 1 . . 497 . . 56 GLU CG . 26867 1
554 . 1 1 56 56 GLU H H 1 7.999 0.005 . 1 . . 498 . . 56 GLU H . 26867 1
555 . 1 1 56 56 GLU HA H 1 4.263 . . 1 . . 499 . . 56 GLU HA . 26867 1
556 . 1 1 56 56 GLU HB2 H 1 2.224 . . 2 . . 500 . . 56 GLU HB2 . 26867 1
557 . 1 1 56 56 GLU HB3 H 1 2.162 . . 2 . . 501 . . 56 GLU HB3 . 26867 1
558 . 1 1 56 56 GLU HG2 H 1 2.559 0.002 . 1 . . 502 . . 56 GLU HG2 . 26867 1
559 . 1 1 56 56 GLU N N 15 114.160 0.038 . 1 . . 503 . . 56 GLU N . 26867 1
560 . 1 1 57 57 SER C C 13 172.720 . . 1 . . 504 . . 57 SER C . 26867 1
561 . 1 1 57 57 SER CA C 13 60.353 0.038 . 1 . . 505 . . 57 SER CA . 26867 1
562 . 1 1 57 57 SER CB C 13 64.474 0.025 . 1 . . 506 . . 57 SER CB . 26867 1
563 . 1 1 57 57 SER H H 1 7.995 0.007 . 1 . . 507 . . 57 SER H . 26867 1
564 . 1 1 57 57 SER HA H 1 4.420 0.002 . 1 . . 508 . . 57 SER HA . 26867 1
565 . 1 1 57 57 SER HB2 H 1 3.971 . . 1 . . 509 . . 57 SER HB2 . 26867 1
566 . 1 1 57 57 SER N N 15 112.647 0.021 . 1 . . 510 . . 57 SER N . 26867 1
567 . 1 1 58 58 ALA C C 13 175.387 . . 1 . . 511 . . 58 ALA C . 26867 1
568 . 1 1 58 58 ALA CA C 13 52.817 0.05 . 1 . . 512 . . 58 ALA CA . 26867 1
569 . 1 1 58 58 ALA CB C 13 19.563 0.052 . 1 . . 513 . . 58 ALA CB . 26867 1
570 . 1 1 58 58 ALA H H 1 8.228 0.006 . 1 . . 514 . . 58 ALA H . 26867 1
571 . 1 1 58 58 ALA HA H 1 4.215 0.004 . 1 . . 515 . . 58 ALA HA . 26867 1
572 . 1 1 58 58 ALA HB3 H 1 1.598 0.006 . 1 . . 516 . . 58 ALA HB3 . 26867 1
573 . 1 1 58 58 ALA HB2 H 1 1.598 0.006 . 1 . . 516 . . 58 ALA HB2 . 26867 1
574 . 1 1 58 58 ALA HB1 H 1 1.598 0.006 . 1 . . 516 . . 58 ALA HB1 . 26867 1
575 . 1 1 58 58 ALA N N 15 124.046 0.021 . 1 . . 517 . . 58 ALA N . 26867 1
576 . 1 1 59 59 ASN C C 13 171.305 . . 1 . . 518 . . 59 ASN C . 26867 1
577 . 1 1 59 59 ASN CA C 13 53.450 0.058 . 1 . . 519 . . 59 ASN CA . 26867 1
578 . 1 1 59 59 ASN CB C 13 40.241 0.048 . 1 . . 520 . . 59 ASN CB . 26867 1
579 . 1 1 59 59 ASN H H 1 9.174 0.005 . 1 . . 521 . . 59 ASN H . 26867 1
580 . 1 1 59 59 ASN HA H 1 5.083 0.005 . 1 . . 522 . . 59 ASN HA . 26867 1
581 . 1 1 59 59 ASN HB2 H 1 2.967 0.011 . 2 . . 523 . . 59 ASN HB2 . 26867 1
582 . 1 1 59 59 ASN HB3 H 1 2.765 . . 2 . . 524 . . 59 ASN HB3 . 26867 1
583 . 1 1 59 59 ASN HD21 H 1 7.056 . . 1 . . 525 . . 59 ASN HD21 . 26867 1
584 . 1 1 59 59 ASN HD22 H 1 8.084 . . 1 . . 526 . . 59 ASN HD22 . 26867 1
585 . 1 1 59 59 ASN N N 15 117.312 0.013 . 1 . . 527 . . 59 ASN N . 26867 1
586 . 1 1 59 59 ASN ND2 N 15 116.477 0.002 . 1 . . 528 . . 59 ASN ND2 . 26867 1
587 . 1 1 60 60 SER C C 13 169.229 . . 1 . . 529 . . 60 SER C . 26867 1
588 . 1 1 60 60 SER CA C 13 56.639 0.062 . 1 . . 530 . . 60 SER CA . 26867 1
589 . 1 1 60 60 SER CB C 13 64.999 0.09 . 1 . . 531 . . 60 SER CB . 26867 1
590 . 1 1 60 60 SER H H 1 6.914 0.006 . 1 . . 532 . . 60 SER H . 26867 1
591 . 1 1 60 60 SER HA H 1 3.728 . . 1 . . 533 . . 60 SER HA . 26867 1
592 . 1 1 60 60 SER HB2 H 1 3.935 . . 1 . . 534 . . 60 SER HB2 . 26867 1
593 . 1 1 60 60 SER N N 15 111.604 0.01 . 1 . . 535 . . 60 SER N . 26867 1
594 . 1 1 61 61 ARG C C 13 174.206 . . 1 . . 536 . . 61 ARG C . 26867 1
595 . 1 1 61 61 ARG CA C 13 58.960 0.03 . 1 . . 537 . . 61 ARG CA . 26867 1
596 . 1 1 61 61 ARG CB C 13 30.325 0.038 . 1 . . 538 . . 61 ARG CB . 26867 1
597 . 1 1 61 61 ARG CD C 13 43.768 0.01 . 1 . . 539 . . 61 ARG CD . 26867 1
598 . 1 1 61 61 ARG CG C 13 27.214 0.002 . 1 . . 540 . . 61 ARG CG . 26867 1
599 . 1 1 61 61 ARG H H 1 8.738 0.006 . 1 . . 541 . . 61 ARG H . 26867 1
600 . 1 1 61 61 ARG HA H 1 3.201 0.011 . 1 . . 542 . . 61 ARG HA . 26867 1
601 . 1 1 61 61 ARG HB2 H 1 1.933 . . 1 . . 543 . . 61 ARG HB2 . 26867 1
602 . 1 1 61 61 ARG HD2 H 1 3.358 0.003 . 1 . . 544 . . 61 ARG HD2 . 26867 1
603 . 1 1 61 61 ARG HG2 H 1 1.624 . . 1 . . 545 . . 61 ARG HG2 . 26867 1
604 . 1 1 61 61 ARG N N 15 121.921 0.021 . 1 . . 546 . . 61 ARG N . 26867 1
605 . 1 1 62 62 ASP C C 13 175.961 . . 1 . . 547 . . 62 ASP C . 26867 1
606 . 1 1 62 62 ASP CA C 13 57.268 0.088 . 1 . . 548 . . 62 ASP CA . 26867 1
607 . 1 1 62 62 ASP CB C 13 40.432 0.033 . 1 . . 549 . . 62 ASP CB . 26867 1
608 . 1 1 62 62 ASP H H 1 8.136 0.01 . 1 . . 550 . . 62 ASP H . 26867 1
609 . 1 1 62 62 ASP HA H 1 4.320 0.003 . 1 . . 551 . . 62 ASP HA . 26867 1
610 . 1 1 62 62 ASP HB2 H 1 2.524 0.001 . 1 . . 552 . . 62 ASP HB2 . 26867 1
611 . 1 1 62 62 ASP N N 15 116.792 0.077 . 1 . . 553 . . 62 ASP N . 26867 1
612 . 1 1 63 63 GLU C C 13 174.282 . . 1 . . 554 . . 63 GLU C . 26867 1
613 . 1 1 63 63 GLU CA C 13 59.410 0.045 . 1 . . 555 . . 63 GLU CA . 26867 1
614 . 1 1 63 63 GLU CB C 13 30.259 0.041 . 1 . . 556 . . 63 GLU CB . 26867 1
615 . 1 1 63 63 GLU CG C 13 36.723 0.003 . 1 . . 557 . . 63 GLU CG . 26867 1
616 . 1 1 63 63 GLU H H 1 7.740 0.005 . 1 . . 558 . . 63 GLU H . 26867 1
617 . 1 1 63 63 GLU HA H 1 3.969 0.001 . 1 . . 559 . . 63 GLU HA . 26867 1
618 . 1 1 63 63 GLU HB2 H 1 1.894 . . 1 . . 560 . . 63 GLU HB2 . 26867 1
619 . 1 1 63 63 GLU HG2 H 1 2.202 . . 2 . . 561 . . 63 GLU HG2 . 26867 1
620 . 1 1 63 63 GLU HG3 H 1 2.333 0.001 . 2 . . 562 . . 63 GLU HG3 . 26867 1
621 . 1 1 63 63 GLU N N 15 121.041 0.059 . 1 . . 563 . . 63 GLU N . 26867 1
622 . 1 1 64 64 TYR C C 13 173.286 . . 1 . . 564 . . 64 TYR C . 26867 1
623 . 1 1 64 64 TYR CA C 13 60.915 0.085 . 1 . . 565 . . 64 TYR CA . 26867 1
624 . 1 1 64 64 TYR CB C 13 38.912 0.062 . 1 . . 566 . . 64 TYR CB . 26867 1
625 . 1 1 64 64 TYR H H 1 7.330 0.007 . 1 . . 567 . . 64 TYR H . 26867 1
626 . 1 1 64 64 TYR HA H 1 3.996 0.002 . 1 . . 568 . . 64 TYR HA . 26867 1
627 . 1 1 64 64 TYR HB2 H 1 2.826 . . 2 . . 569 . . 64 TYR HB2 . 26867 1
628 . 1 1 64 64 TYR HB3 H 1 2.614 0.004 . 2 . . 570 . . 64 TYR HB3 . 26867 1
629 . 1 1 64 64 TYR N N 15 121.495 0.033 . 1 . . 571 . . 64 TYR N . 26867 1
630 . 1 1 65 65 TYR C C 13 175.834 . . 1 . . 572 . . 65 TYR C . 26867 1
631 . 1 1 65 65 TYR CA C 13 60.211 0.008 . 1 . . 573 . . 65 TYR CA . 26867 1
632 . 1 1 65 65 TYR CB C 13 37.657 0.078 . 1 . . 574 . . 65 TYR CB . 26867 1
633 . 1 1 65 65 TYR H H 1 8.145 0.005 . 1 . . 575 . . 65 TYR H . 26867 1
634 . 1 1 65 65 TYR HA H 1 3.988 . . 1 . . 576 . . 65 TYR HA . 26867 1
635 . 1 1 65 65 TYR HB2 H 1 3.098 . . 2 . . 577 . . 65 TYR HB2 . 26867 1
636 . 1 1 65 65 TYR HB3 H 1 2.975 . . 2 . . 578 . . 65 TYR HB3 . 26867 1
637 . 1 1 65 65 TYR N N 15 115.818 0.018 . 1 . . 579 . . 65 TYR N . 26867 1
638 . 1 1 66 66 HIS C C 13 174.608 . . 1 . . 580 . . 66 HIS C . 26867 1
639 . 1 1 66 66 HIS CA C 13 59.941 0.055 . 1 . . 581 . . 66 HIS CA . 26867 1
640 . 1 1 66 66 HIS CB C 13 28.922 0.11 . 1 . . 582 . . 66 HIS CB . 26867 1
641 . 1 1 66 66 HIS H H 1 8.306 0.006 . 1 . . 583 . . 66 HIS H . 26867 1
642 . 1 1 66 66 HIS HA H 1 4.255 . . 1 . . 584 . . 66 HIS HA . 26867 1
643 . 1 1 66 66 HIS HB2 H 1 3.365 0.02 . 1 . . 585 . . 66 HIS HB2 . 26867 1
644 . 1 1 66 66 HIS N N 15 118.083 0.151 . 1 . . 586 . . 66 HIS N . 26867 1
645 . 1 1 67 67 LEU C C 13 178.049 . . 1 . . 587 . . 67 LEU C . 26867 1
646 . 1 1 67 67 LEU CA C 13 57.893 0.009 . 1 . . 588 . . 67 LEU CA . 26867 1
647 . 1 1 67 67 LEU CB C 13 42.057 0.055 . 1 . . 589 . . 67 LEU CB . 26867 1
648 . 1 1 67 67 LEU CD1 C 13 22.432 0.075 . 2 . . 590 . . 67 LEU CD1 . 26867 1
649 . 1 1 67 67 LEU CD2 C 13 25.967 0.07 . 2 . . 591 . . 67 LEU CD2 . 26867 1
650 . 1 1 67 67 LEU CG C 13 27.315 . . 1 . . 592 . . 67 LEU CG . 26867 1
651 . 1 1 67 67 LEU H H 1 9.026 0.009 . 1 . . 593 . . 67 LEU H . 26867 1
652 . 1 1 67 67 LEU HA H 1 4.022 0.001 . 1 . . 594 . . 67 LEU HA . 26867 1
653 . 1 1 67 67 LEU HB2 H 1 2.084 0.004 . 1 . . 595 . . 67 LEU HB2 . 26867 1
654 . 1 1 67 67 LEU HD11 H 1 0.971 0.001 . 2 . . 596 . . 67 LEU HD11 . 26867 1
655 . 1 1 67 67 LEU HD12 H 1 0.971 0.001 . 2 . . 596 . . 67 LEU HD12 . 26867 1
656 . 1 1 67 67 LEU HD13 H 1 0.971 0.001 . 2 . . 596 . . 67 LEU HD13 . 26867 1
657 . 1 1 67 67 LEU HD21 H 1 1.013 0.001 . 2 . . 597 . . 67 LEU HD21 . 26867 1
658 . 1 1 67 67 LEU HD22 H 1 1.013 0.001 . 2 . . 597 . . 67 LEU HD22 . 26867 1
659 . 1 1 67 67 LEU HD23 H 1 1.013 0.001 . 2 . . 597 . . 67 LEU HD23 . 26867 1
660 . 1 1 67 67 LEU HG H 1 2.031 0.001 . 1 . . 598 . . 67 LEU HG . 26867 1
661 . 1 1 67 67 LEU N N 15 120.446 0.032 . 1 . . 599 . . 67 LEU N . 26867 1
662 . 1 1 68 68 LEU C C 13 175.447 . . 1 . . 600 . . 68 LEU C . 26867 1
663 . 1 1 68 68 LEU CA C 13 57.827 0.094 . 1 . . 601 . . 68 LEU CA . 26867 1
664 . 1 1 68 68 LEU CB C 13 41.849 0.079 . 1 . . 602 . . 68 LEU CB . 26867 1
665 . 1 1 68 68 LEU CD1 C 13 25.850 0.039 . 2 . . 603 . . 68 LEU CD1 . 26867 1
666 . 1 1 68 68 LEU CD2 C 13 24.817 0.036 . 2 . . 604 . . 68 LEU CD2 . 26867 1
667 . 1 1 68 68 LEU CG C 13 27.645 0.082 . 1 . . 605 . . 68 LEU CG . 26867 1
668 . 1 1 68 68 LEU H H 1 7.837 0.01 . 1 . . 606 . . 68 LEU H . 26867 1
669 . 1 1 68 68 LEU HA H 1 3.864 0.008 . 1 . . 607 . . 68 LEU HA . 26867 1
670 . 1 1 68 68 LEU HB2 H 1 1.772 0.002 . 2 . . 608 . . 68 LEU HB2 . 26867 1
671 . 1 1 68 68 LEU HB3 H 1 1.297 . . 2 . . 609 . . 68 LEU HB3 . 26867 1
672 . 1 1 68 68 LEU HD11 H 1 0.569 0.004 . 2 . . 610 . . 68 LEU HD11 . 26867 1
673 . 1 1 68 68 LEU HD12 H 1 0.569 0.004 . 2 . . 610 . . 68 LEU HD12 . 26867 1
674 . 1 1 68 68 LEU HD13 H 1 0.569 0.004 . 2 . . 610 . . 68 LEU HD13 . 26867 1
675 . 1 1 68 68 LEU HD21 H 1 0.760 0.005 . 2 . . 611 . . 68 LEU HD21 . 26867 1
676 . 1 1 68 68 LEU HD22 H 1 0.760 0.005 . 2 . . 611 . . 68 LEU HD22 . 26867 1
677 . 1 1 68 68 LEU HD23 H 1 0.760 0.005 . 2 . . 611 . . 68 LEU HD23 . 26867 1
678 . 1 1 68 68 LEU HG H 1 1.609 0.003 . 1 . . 612 . . 68 LEU HG . 26867 1
679 . 1 1 68 68 LEU N N 15 120.781 0.038 . 1 . . 613 . . 68 LEU N . 26867 1
680 . 1 1 69 69 ALA C C 13 177.256 . . 1 . . 614 . . 69 ALA C . 26867 1
681 . 1 1 69 69 ALA CA C 13 55.428 0.102 . 1 . . 615 . . 69 ALA CA . 26867 1
682 . 1 1 69 69 ALA CB C 13 18.107 0.03 . 1 . . 616 . . 69 ALA CB . 26867 1
683 . 1 1 69 69 ALA H H 1 8.279 0.023 . 1 . . 617 . . 69 ALA H . 26867 1
684 . 1 1 69 69 ALA HA H 1 3.837 0.003 . 1 . . 618 . . 69 ALA HA . 26867 1
685 . 1 1 69 69 ALA HB3 H 1 1.351 0.011 . 1 . . 619 . . 69 ALA HB3 . 26867 1
686 . 1 1 69 69 ALA HB2 H 1 1.351 0.011 . 1 . . 619 . . 69 ALA HB2 . 26867 1
687 . 1 1 69 69 ALA HB1 H 1 1.351 0.011 . 1 . . 619 . . 69 ALA HB1 . 26867 1
688 . 1 1 69 69 ALA N N 15 121.001 0.054 . 1 . . 620 . . 69 ALA N . 26867 1
689 . 1 1 70 70 GLU C C 13 175.878 . . 1 . . 621 . . 70 GLU C . 26867 1
690 . 1 1 70 70 GLU CA C 13 59.357 0.049 . 1 . . 622 . . 70 GLU CA . 26867 1
691 . 1 1 70 70 GLU CB C 13 29.784 0.064 . 1 . . 623 . . 70 GLU CB . 26867 1
692 . 1 1 70 70 GLU CG C 13 36.704 0.011 . 1 . . 624 . . 70 GLU CG . 26867 1
693 . 1 1 70 70 GLU H H 1 8.358 0.016 . 1 . . 625 . . 70 GLU H . 26867 1
694 . 1 1 70 70 GLU HA H 1 3.992 . . 1 . . 626 . . 70 GLU HA . 26867 1
695 . 1 1 70 70 GLU HB2 H 1 2.050 . . 2 . . 627 . . 70 GLU HB2 . 26867 1
696 . 1 1 70 70 GLU HB3 H 1 1.896 . . 2 . . 628 . . 70 GLU HB3 . 26867 1
697 . 1 1 70 70 GLU HG2 H 1 2.137 . . 2 . . 629 . . 70 GLU HG2 . 26867 1
698 . 1 1 70 70 GLU HG3 H 1 2.276 . . 2 . . 630 . . 70 GLU HG3 . 26867 1
699 . 1 1 70 70 GLU N N 15 117.537 0.062 . 1 . . 631 . . 70 GLU N . 26867 1
700 . 1 1 71 71 LYS C C 13 175.537 . . 1 . . 632 . . 71 LYS C . 26867 1
701 . 1 1 71 71 LYS CA C 13 58.103 0.056 . 1 . . 633 . . 71 LYS CA . 26867 1
702 . 1 1 71 71 LYS CB C 13 31.840 0.008 . 1 . . 634 . . 71 LYS CB . 26867 1
703 . 1 1 71 71 LYS CE C 13 42.195 0.001 . 1 . . 635 . . 71 LYS CE . 26867 1
704 . 1 1 71 71 LYS CG C 13 24.583 0.003 . 1 . . 636 . . 71 LYS CG . 26867 1
705 . 1 1 71 71 LYS H H 1 7.844 0.009 . 1 . . 637 . . 71 LYS H . 26867 1
706 . 1 1 71 71 LYS HA H 1 4.158 . . 1 . . 638 . . 71 LYS HA . 26867 1
707 . 1 1 71 71 LYS HB2 H 1 1.998 . . 1 . . 639 . . 71 LYS HB2 . 26867 1
708 . 1 1 71 71 LYS HE2 H 1 2.967 . . 1 . . 640 . . 71 LYS HE2 . 26867 1
709 . 1 1 71 71 LYS HG2 H 1 1.453 . . 1 . . 641 . . 71 LYS HG2 . 26867 1
710 . 1 1 71 71 LYS N N 15 120.094 0.133 . 1 . . 642 . . 71 LYS N . 26867 1
711 . 1 1 72 72 ILE C C 13 174.447 . . 1 . . 643 . . 72 ILE C . 26867 1
712 . 1 1 72 72 ILE CA C 13 65.840 0.022 . 1 . . 644 . . 72 ILE CA . 26867 1
713 . 1 1 72 72 ILE CB C 13 37.823 0.064 . 1 . . 645 . . 72 ILE CB . 26867 1
714 . 1 1 72 72 ILE CD1 C 13 13.580 0.119 . 1 . . 646 . . 72 ILE CD1 . 26867 1
715 . 1 1 72 72 ILE CG1 C 13 30.826 0.019 . 1 . . 647 . . 72 ILE CG1 . 26867 1
716 . 1 1 72 72 ILE CG2 C 13 17.398 0.024 . 1 . . 648 . . 72 ILE CG2 . 26867 1
717 . 1 1 72 72 ILE H H 1 8.278 0.005 . 1 . . 649 . . 72 ILE H . 26867 1
718 . 1 1 72 72 ILE HA H 1 3.489 0.002 . 1 . . 650 . . 72 ILE HA . 26867 1
719 . 1 1 72 72 ILE HB H 1 1.872 0.01 . 1 . . 651 . . 72 ILE HB . 26867 1
720 . 1 1 72 72 ILE HD11 H 1 0.723 0.004 . 1 . . 652 . . 72 ILE HD11 . 26867 1
721 . 1 1 72 72 ILE HD12 H 1 0.723 0.004 . 1 . . 652 . . 72 ILE HD12 . 26867 1
722 . 1 1 72 72 ILE HD13 H 1 0.723 0.004 . 1 . . 652 . . 72 ILE HD13 . 26867 1
723 . 1 1 72 72 ILE HG12 H 1 1.792 0.002 . 2 . . 653 . . 72 ILE HG12 . 26867 1
724 . 1 1 72 72 ILE HG13 H 1 0.902 0.002 . 2 . . 654 . . 72 ILE HG13 . 26867 1
725 . 1 1 72 72 ILE HG22 H 1 0.834 0.001 . 1 . . 655 . . 72 ILE HG22 . 26867 1
726 . 1 1 72 72 ILE HG23 H 1 0.834 0.001 . 1 . . 655 . . 72 ILE HG23 . 26867 1
727 . 1 1 72 72 ILE HG21 H 1 0.834 0.001 . 1 . . 655 . . 72 ILE HG21 . 26867 1
728 . 1 1 72 72 ILE N N 15 118.949 0.039 . 1 . . 656 . . 72 ILE N . 26867 1
729 . 1 1 73 73 TYR C C 13 174.990 . . 1 . . 657 . . 73 TYR C . 26867 1
730 . 1 1 73 73 TYR CA C 13 61.003 0.004 . 1 . . 658 . . 73 TYR CA . 26867 1
731 . 1 1 73 73 TYR CB C 13 38.200 0.055 . 1 . . 659 . . 73 TYR CB . 26867 1
732 . 1 1 73 73 TYR H H 1 8.128 0.017 . 1 . . 660 . . 73 TYR H . 26867 1
733 . 1 1 73 73 TYR HA H 1 4.282 . . 1 . . 661 . . 73 TYR HA . 26867 1
734 . 1 1 73 73 TYR HB2 H 1 3.153 . . 1 . . 662 . . 73 TYR HB2 . 26867 1
735 . 1 1 73 73 TYR N N 15 119.386 0.011 . 1 . . 663 . . 73 TYR N . 26867 1
736 . 1 1 74 74 LYS C C 13 176.887 . . 1 . . 664 . . 74 LYS C . 26867 1
737 . 1 1 74 74 LYS CA C 13 59.871 0.018 . 1 . . 665 . . 74 LYS CA . 26867 1
738 . 1 1 74 74 LYS CB C 13 32.805 . . 1 . . 666 . . 74 LYS CB . 26867 1
739 . 1 1 74 74 LYS CD C 13 29.669 . . 1 . . 667 . . 74 LYS CD . 26867 1
740 . 1 1 74 74 LYS CE C 13 42.123 0.104 . 1 . . 668 . . 74 LYS CE . 26867 1
741 . 1 1 74 74 LYS CG C 13 25.761 . . 1 . . 669 . . 74 LYS CG . 26867 1
742 . 1 1 74 74 LYS H H 1 8.228 0.005 . 1 . . 670 . . 74 LYS H . 26867 1
743 . 1 1 74 74 LYS HE2 H 1 2.995 0.012 . 1 . . 671 . . 74 LYS HE2 . 26867 1
744 . 1 1 74 74 LYS N N 15 118.962 0.05 . 1 . . 672 . . 74 LYS N . 26867 1
745 . 1 1 75 75 ILE C C 13 174.947 . . 1 . . 673 . . 75 ILE C . 26867 1
746 . 1 1 75 75 ILE CA C 13 65.434 0.03 . 1 . . 674 . . 75 ILE CA . 26867 1
747 . 1 1 75 75 ILE CB C 13 38.268 0.028 . 1 . . 675 . . 75 ILE CB . 26867 1
748 . 1 1 75 75 ILE CD1 C 13 14.202 . . 1 . . 676 . . 75 ILE CD1 . 26867 1
749 . 1 1 75 75 ILE CG1 C 13 29.136 0.025 . 1 . . 677 . . 75 ILE CG1 . 26867 1
750 . 1 1 75 75 ILE CG2 C 13 17.778 0.136 . 1 . . 678 . . 75 ILE CG2 . 26867 1
751 . 1 1 75 75 ILE H H 1 8.401 0.015 . 1 . . 679 . . 75 ILE H . 26867 1
752 . 1 1 75 75 ILE HA H 1 3.688 0.004 . 1 . . 680 . . 75 ILE HA . 26867 1
753 . 1 1 75 75 ILE HB H 1 1.930 0.004 . 1 . . 681 . . 75 ILE HB . 26867 1
754 . 1 1 75 75 ILE HD11 H 1 0.859 0.016 . 1 . . 682 . . 75 ILE HD11 . 26867 1
755 . 1 1 75 75 ILE HD12 H 1 0.859 0.016 . 1 . . 682 . . 75 ILE HD12 . 26867 1
756 . 1 1 75 75 ILE HD13 H 1 0.859 0.016 . 1 . . 682 . . 75 ILE HD13 . 26867 1
757 . 1 1 75 75 ILE HG12 H 1 1.844 . . 2 . . 683 . . 75 ILE HG12 . 26867 1
758 . 1 1 75 75 ILE HG13 H 1 1.005 0.002 . 2 . . 684 . . 75 ILE HG13 . 26867 1
759 . 1 1 75 75 ILE HG22 H 1 0.844 0.001 . 1 . . 685 . . 75 ILE HG22 . 26867 1
760 . 1 1 75 75 ILE HG23 H 1 0.844 0.001 . 1 . . 685 . . 75 ILE HG23 . 26867 1
761 . 1 1 75 75 ILE HG21 H 1 0.844 0.001 . 1 . . 685 . . 75 ILE HG21 . 26867 1
762 . 1 1 75 75 ILE N N 15 120.602 0.041 . 1 . . 686 . . 75 ILE N . 26867 1
763 . 1 1 76 76 GLN C C 13 176.673 . . 1 . . 687 . . 76 GLN C . 26867 1
764 . 1 1 76 76 GLN CA C 13 59.658 0.061 . 1 . . 688 . . 76 GLN CA . 26867 1
765 . 1 1 76 76 GLN CB C 13 28.533 0.027 . 1 . . 689 . . 76 GLN CB . 26867 1
766 . 1 1 76 76 GLN CD C 13 176.911 0.008 . 1 . . 690 . . 76 GLN CD . 26867 1
767 . 1 1 76 76 GLN CG C 13 34.511 0.003 . 1 . . 691 . . 76 GLN CG . 26867 1
768 . 1 1 76 76 GLN H H 1 8.343 0.007 . 1 . . 692 . . 76 GLN H . 26867 1
769 . 1 1 76 76 GLN HA H 1 3.953 . . 1 . . 693 . . 76 GLN HA . 26867 1
770 . 1 1 76 76 GLN HB2 H 1 2.023 . . 1 . . 694 . . 76 GLN HB2 . 26867 1
771 . 1 1 76 76 GLN HE21 H 1 6.680 0.008 . 1 . . 695 . . 76 GLN HE21 . 26867 1
772 . 1 1 76 76 GLN HE22 H 1 7.300 0.009 . 1 . . 696 . . 76 GLN HE22 . 26867 1
773 . 1 1 76 76 GLN HG2 H 1 2.646 0.005 . 2 . . 697 . . 76 GLN HG2 . 26867 1
774 . 1 1 76 76 GLN HG3 H 1 2.346 0.001 . 2 . . 698 . . 76 GLN HG3 . 26867 1
775 . 1 1 76 76 GLN N N 15 118.178 0.059 . 1 . . 699 . . 76 GLN N . 26867 1
776 . 1 1 76 76 GLN NE2 N 15 110.428 0.006 . 1 . . 700 . . 76 GLN NE2 . 26867 1
777 . 1 1 77 77 LYS C C 13 176.419 . . 1 . . 701 . . 77 LYS C . 26867 1
778 . 1 1 77 77 LYS CA C 13 58.566 0.07 . 1 . . 702 . . 77 LYS CA . 26867 1
779 . 1 1 77 77 LYS CB C 13 31.893 0.023 . 1 . . 703 . . 77 LYS CB . 26867 1
780 . 1 1 77 77 LYS CD C 13 28.445 0.122 . 1 . . 704 . . 77 LYS CD . 26867 1
781 . 1 1 77 77 LYS CE C 13 41.766 0.011 . 1 . . 705 . . 77 LYS CE . 26867 1
782 . 1 1 77 77 LYS CG C 13 24.217 0.068 . 1 . . 706 . . 77 LYS CG . 26867 1
783 . 1 1 77 77 LYS H H 1 8.159 0.006 . 1 . . 707 . . 77 LYS H . 26867 1
784 . 1 1 77 77 LYS HA H 1 3.982 0.001 . 1 . . 708 . . 77 LYS HA . 26867 1
785 . 1 1 77 77 LYS HB2 H 1 1.745 0.002 . 1 . . 709 . . 77 LYS HB2 . 26867 1
786 . 1 1 77 77 LYS HD2 H 1 1.564 0.004 . 1 . . 710 . . 77 LYS HD2 . 26867 1
787 . 1 1 77 77 LYS HE2 H 1 2.921 0.001 . 2 . . 711 . . 77 LYS HE2 . 26867 1
788 . 1 1 77 77 LYS HE3 H 1 2.827 0.001 . 2 . . 712 . . 77 LYS HE3 . 26867 1
789 . 1 1 77 77 LYS HG2 H 1 1.273 0.004 . 1 . . 713 . . 77 LYS HG2 . 26867 1
790 . 1 1 77 77 LYS N N 15 119.377 0.056 . 1 . . 714 . . 77 LYS N . 26867 1
791 . 1 1 78 78 GLU C C 13 176.831 . . 1 . . 715 . . 78 GLU C . 26867 1
792 . 1 1 78 78 GLU CA C 13 59.240 0.046 . 1 . . 716 . . 78 GLU CA . 26867 1
793 . 1 1 78 78 GLU CB C 13 29.475 0.076 . 1 . . 717 . . 78 GLU CB . 26867 1
794 . 1 1 78 78 GLU CG C 13 36.422 . . 1 . . 718 . . 78 GLU CG . 26867 1
795 . 1 1 78 78 GLU H H 1 8.156 0.005 . 1 . . 719 . . 78 GLU H . 26867 1
796 . 1 1 78 78 GLU N N 15 120.567 0.042 . 1 . . 720 . . 78 GLU N . 26867 1
797 . 1 1 79 79 LEU C C 13 176.753 . . 1 . . 721 . . 79 LEU C . 26867 1
798 . 1 1 79 79 LEU CA C 13 57.704 0.054 . 1 . . 722 . . 79 LEU CA . 26867 1
799 . 1 1 79 79 LEU CB C 13 41.452 0.019 . 1 . . 723 . . 79 LEU CB . 26867 1
800 . 1 1 79 79 LEU CD1 C 13 23.396 0.069 . 2 . . 724 . . 79 LEU CD1 . 26867 1
801 . 1 1 79 79 LEU CD2 C 13 26.380 0.065 . 2 . . 725 . . 79 LEU CD2 . 26867 1
802 . 1 1 79 79 LEU CG C 13 27.264 . . 1 . . 726 . . 79 LEU CG . 26867 1
803 . 1 1 79 79 LEU H H 1 8.351 0.008 . 1 . . 727 . . 79 LEU H . 26867 1
804 . 1 1 79 79 LEU HD11 H 1 0.887 0.003 . 2 . . 728 . . 79 LEU HD11 . 26867 1
805 . 1 1 79 79 LEU HD12 H 1 0.887 0.003 . 2 . . 728 . . 79 LEU HD12 . 26867 1
806 . 1 1 79 79 LEU HD13 H 1 0.887 0.003 . 2 . . 728 . . 79 LEU HD13 . 26867 1
807 . 1 1 79 79 LEU HD21 H 1 0.981 0.003 . 2 . . 729 . . 79 LEU HD21 . 26867 1
808 . 1 1 79 79 LEU HD22 H 1 0.981 0.003 . 2 . . 729 . . 79 LEU HD22 . 26867 1
809 . 1 1 79 79 LEU HD23 H 1 0.981 0.003 . 2 . . 729 . . 79 LEU HD23 . 26867 1
810 . 1 1 79 79 LEU N N 15 119.450 0.051 . 1 . . 730 . . 79 LEU N . 26867 1
811 . 1 1 80 80 GLU C C 13 176.340 . . 1 . . 731 . . 80 GLU C . 26867 1
812 . 1 1 80 80 GLU CA C 13 59.156 0.017 . 1 . . 732 . . 80 GLU CA . 26867 1
813 . 1 1 80 80 GLU CB C 13 29.407 0.052 . 1 . . 733 . . 80 GLU CB . 26867 1
814 . 1 1 80 80 GLU CG C 13 36.227 0.004 . 1 . . 734 . . 80 GLU CG . 26867 1
815 . 1 1 80 80 GLU H H 1 8.010 0.005 . 1 . . 735 . . 80 GLU H . 26867 1
816 . 1 1 80 80 GLU HA H 1 4.072 0.001 . 1 . . 736 . . 80 GLU HA . 26867 1
817 . 1 1 80 80 GLU HB2 H 1 2.107 0.001 . 2 . . 737 . . 80 GLU HB2 . 26867 1
818 . 1 1 80 80 GLU HB3 H 1 2.183 0.002 . 2 . . 738 . . 80 GLU HB3 . 26867 1
819 . 1 1 80 80 GLU HG2 H 1 2.311 0.004 . 1 . . 739 . . 80 GLU HG2 . 26867 1
820 . 1 1 80 80 GLU N N 15 120.156 0.03 . 1 . . 740 . . 80 GLU N . 26867 1
821 . 1 1 81 81 GLU CA C 13 58.483 . . 1 . . 741 . . 81 GLU CA . 26867 1
822 . 1 1 81 81 GLU CB C 13 32.395 . . 1 . . 742 . . 81 GLU CB . 26867 1
823 . 1 1 81 81 GLU CG C 13 36.218 0.024 . 1 . . 743 . . 81 GLU CG . 26867 1
824 . 1 1 81 81 GLU H H 1 8.000 0.006 . 1 . . 744 . . 81 GLU H . 26867 1
825 . 1 1 81 81 GLU HG2 H 1 2.406 0.004 . 2 . . 745 . . 81 GLU HG2 . 26867 1
826 . 1 1 81 81 GLU HG3 H 1 2.289 0.002 . 2 . . 746 . . 81 GLU HG3 . 26867 1
827 . 1 1 81 81 GLU N N 15 119.137 0.008 . 1 . . 747 . . 81 GLU N . 26867 1
828 . 1 1 82 82 LYS C C 13 176.072 . . 1 . . 748 . . 82 LYS C . 26867 1
829 . 1 1 82 82 LYS CA C 13 58.271 0.041 . 1 . . 749 . . 82 LYS CA . 26867 1
830 . 1 1 82 82 LYS CB C 13 32.400 0.019 . 1 . . 750 . . 82 LYS CB . 26867 1
831 . 1 1 82 82 LYS CD C 13 29.038 0.018 . 1 . . 751 . . 82 LYS CD . 26867 1
832 . 1 1 82 82 LYS CE C 13 42.256 0.001 . 1 . . 752 . . 82 LYS CE . 26867 1
833 . 1 1 82 82 LYS CG C 13 25.241 0.002 . 1 . . 753 . . 82 LYS CG . 26867 1
834 . 1 1 82 82 LYS HA H 1 4.126 0.005 . 1 . . 754 . . 82 LYS HA . 26867 1
835 . 1 1 82 82 LYS HB2 H 1 1.942 . . 1 . . 755 . . 82 LYS HB2 . 26867 1
836 . 1 1 82 82 LYS HD2 H 1 1.663 0.001 . 1 . . 756 . . 82 LYS HD2 . 26867 1
837 . 1 1 82 82 LYS HE2 H 1 2.976 . . 1 . . 757 . . 82 LYS HE2 . 26867 1
838 . 1 1 82 82 LYS HG2 H 1 1.529 0.001 . 1 . . 758 . . 82 LYS HG2 . 26867 1
839 . 1 1 83 83 ARG C C 13 175.165 . . 1 . . 759 . . 83 ARG C . 26867 1
840 . 1 1 83 83 ARG CA C 13 58.269 0.004 . 1 . . 760 . . 83 ARG CA . 26867 1
841 . 1 1 83 83 ARG CB C 13 30.508 0.022 . 1 . . 761 . . 83 ARG CB . 26867 1
842 . 1 1 83 83 ARG CD C 13 43.593 . . 1 . . 762 . . 83 ARG CD . 26867 1
843 . 1 1 83 83 ARG CG C 13 27.830 . . 1 . . 763 . . 83 ARG CG . 26867 1
844 . 1 1 83 83 ARG H H 1 8.015 0.001 . 1 . . 764 . . 83 ARG H . 26867 1
845 . 1 1 83 83 ARG N N 15 119.088 0.019 . 1 . . 765 . . 83 ARG N . 26867 1
846 . 1 1 84 84 ARG C C 13 174.443 . . 1 . . 766 . . 84 ARG C . 26867 1
847 . 1 1 84 84 ARG CA C 13 57.418 0.293 . 1 . . 767 . . 84 ARG CA . 26867 1
848 . 1 1 84 84 ARG CB C 13 30.591 0.033 . 1 . . 768 . . 84 ARG CB . 26867 1
849 . 1 1 84 84 ARG CD C 13 43.438 0.107 . 1 . . 769 . . 84 ARG CD . 26867 1
850 . 1 1 84 84 ARG CG C 13 27.295 . . 1 . . 770 . . 84 ARG CG . 26867 1
851 . 1 1 84 84 ARG H H 1 7.937 0.004 . 1 . . 771 . . 84 ARG H . 26867 1
852 . 1 1 84 84 ARG HA H 1 4.210 0.021 . 1 . . 772 . . 84 ARG HA . 26867 1
853 . 1 1 84 84 ARG HB2 H 1 1.911 . . 1 . . 773 . . 84 ARG HB2 . 26867 1
854 . 1 1 84 84 ARG HD2 H 1 3.210 0.005 . 1 . . 774 . . 84 ARG HD2 . 26867 1
855 . 1 1 84 84 ARG HG2 H 1 1.699 . . 2 . . 775 . . 84 ARG HG2 . 26867 1
856 . 1 1 84 84 ARG HG3 H 1 1.767 . . 2 . . 776 . . 84 ARG HG3 . 26867 1
857 . 1 1 84 84 ARG N N 15 119.010 0.027 . 1 . . 777 . . 84 ARG N . 26867 1
858 . 1 1 85 85 SER C C 13 171.596 . . 1 . . 778 . . 85 SER C . 26867 1
859 . 1 1 85 85 SER CA C 13 59.083 0.02 . 1 . . 779 . . 85 SER CA . 26867 1
860 . 1 1 85 85 SER CB C 13 63.640 0.079 . 1 . . 780 . . 85 SER CB . 26867 1
861 . 1 1 85 85 SER H H 1 7.984 0.006 . 1 . . 781 . . 85 SER H . 26867 1
862 . 1 1 85 85 SER HA H 1 4.418 . . 1 . . 782 . . 85 SER HA . 26867 1
863 . 1 1 85 85 SER HB2 H 1 3.958 0.001 . 1 . . 783 . . 85 SER HB2 . 26867 1
864 . 1 1 85 85 SER HB3 H 1 3.958 0.001 . 1 . . 784 . . 85 SER HB3 . 26867 1
865 . 1 1 85 85 SER N N 15 115.074 0.032 . 1 . . 785 . . 85 SER N . 26867 1
866 . 1 1 86 86 ARG C C 13 172.527 . . 1 . . 786 . . 86 ARG C . 26867 1
867 . 1 1 86 86 ARG CA C 13 56.080 0.001 . 1 . . 787 . . 86 ARG CA . 26867 1
868 . 1 1 86 86 ARG CB C 13 30.730 0.009 . 1 . . 788 . . 86 ARG CB . 26867 1
869 . 1 1 86 86 ARG CD C 13 43.483 . . 1 . . 789 . . 86 ARG CD . 26867 1
870 . 1 1 86 86 ARG CG C 13 27.081 . . 1 . . 790 . . 86 ARG CG . 26867 1
871 . 1 1 86 86 ARG H H 1 7.913 0.007 . 1 . . 791 . . 86 ARG H . 26867 1
872 . 1 1 86 86 ARG HA H 1 4.401 . . 1 . . 792 . . 86 ARG HA . 26867 1
873 . 1 1 86 86 ARG HB2 H 1 1.798 . . 2 . . 793 . . 86 ARG HB2 . 26867 1
874 . 1 1 86 86 ARG HB3 H 1 1.963 . . 2 . . 794 . . 86 ARG HB3 . 26867 1
875 . 1 1 86 86 ARG HD2 H 1 3.202 . . 1 . . 795 . . 86 ARG HD2 . 26867 1
876 . 1 1 86 86 ARG HG2 H 1 1.679 0.001 . 1 . . 796 . . 86 ARG HG2 . 26867 1
877 . 1 1 86 86 ARG N N 15 122.243 0.013 . 1 . . 797 . . 86 ARG N . 26867 1
878 . 1 1 87 87 LEU CA C 13 56.693 . . 1 . . 798 . . 87 LEU CA . 26867 1
879 . 1 1 87 87 LEU CB C 13 43.344 0.003 . 1 . . 799 . . 87 LEU CB . 26867 1
880 . 1 1 87 87 LEU CD1 C 13 25.028 . . 1 . . 800 . . 87 LEU CD1 . 26867 1
881 . 1 1 87 87 LEU H H 1 7.706 0.004 . 1 . . 801 . . 87 LEU H . 26867 1
882 . 1 1 87 87 LEU HA H 1 4.183 . . 1 . . 802 . . 87 LEU HA . 26867 1
883 . 1 1 87 87 LEU HB2 H 1 1.584 . . 1 . . 803 . . 87 LEU HB2 . 26867 1
884 . 1 1 87 87 LEU HB3 H 1 1.584 . . 1 . . 804 . . 87 LEU HB3 . 26867 1
885 . 1 1 87 87 LEU HD12 H 1 0.914 . . 1 . . 805 . . 87 LEU HD12 . 26867 1
886 . 1 1 87 87 LEU HD11 H 1 0.914 . . 1 . . 805 . . 87 LEU HD11 . 26867 1
887 . 1 1 87 87 LEU HD13 H 1 0.914 . . 1 . . 805 . . 87 LEU HD13 . 26867 1
888 . 1 1 87 87 LEU N N 15 128.249 0.012 . 1 . . 806 . . 87 LEU N . 26867 1
stop_
save_