Content for NMR-STAR saveframe, "YibK_wt_in_denatured_state"
save_YibK_wt_in_denatured_state
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode YibK_wt_in_denatured_state
_Assigned_chem_shift_list.Entry_ID 18855
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $SEC-urea
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 18855 1
2 '3D CBCA(CO)NH' . . . 18855 1
3 '3D HNCO' . . . 18855 1
4 '3D HNCACB' . . . 18855 1
5 '3D HNCA' . . . 18855 1
6 '3D C(CO)NH' . . . 18855 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 2 2 LEU C C 13 177.000 0.200 1 1 . . . . . 2 L C . 18855 1
2 . 1 1 2 2 LEU CB C 13 41.844 0.003 2 1 . . . . . 2 L CB . 18855 1
3 . 1 1 3 3 ASP H H 1 8.754 0.001 10 1 . . . . . 3 D HN . 18855 1
4 . 1 1 3 3 ASP C C 13 175.972 0.017 2 1 . . . . . 3 D C . 18855 1
5 . 1 1 3 3 ASP CA C 13 53.962 0.036 3 1 . . . . . 3 D CA . 18855 1
6 . 1 1 3 3 ASP CB C 13 40.678 0.050 2 1 . . . . . 3 D CB . 18855 1
7 . 1 1 3 3 ASP N N 15 122.084 0.026 12 1 . . . . . 3 D N . 18855 1
8 . 1 1 4 4 ILE H H 1 8.268 0.001 10 1 . . . . . 4 I HN . 18855 1
9 . 1 1 4 4 ILE C C 13 176.484 0.654 2 1 . . . . . 4 I C . 18855 1
10 . 1 1 4 4 ILE CA C 13 60.765 0.050 2 1 . . . . . 4 I CA . 18855 1
11 . 1 1 4 4 ILE CB C 13 38.166 0.025 2 1 . . . . . 4 I CB . 18855 1
12 . 1 1 4 4 ILE N N 15 121.037 0.023 12 1 . . . . . 4 I N . 18855 1
13 . 1 1 5 5 VAL H H 1 8.483 0.001 9 1 . . . . . 5 V HN . 18855 1
14 . 1 1 5 5 VAL C C 13 175.661 0.017 2 1 . . . . . 5 V C . 18855 1
15 . 1 1 5 5 VAL CA C 13 61.983 0.088 2 1 . . . . . 5 V CA . 18855 1
16 . 1 1 5 5 VAL CB C 13 31.948 0.015 3 1 . . . . . 5 V CB . 18855 1
17 . 1 1 5 5 VAL N N 15 125.899 0.020 11 1 . . . . . 5 V N . 18855 1
18 . 1 1 6 6 LEU H H 1 8.553 0.001 10 1 . . . . . 6 L HN . 18855 1
19 . 1 1 6 6 LEU C C 13 176.782 0.048 2 1 . . . . . 6 L C . 18855 1
20 . 1 1 6 6 LEU CA C 13 54.457 0.078 2 1 . . . . . 6 L CA . 18855 1
21 . 1 1 6 6 LEU CB C 13 41.594 0.076 2 1 . . . . . 6 L CB . 18855 1
22 . 1 1 6 6 LEU N N 15 126.923 0.039 12 1 . . . . . 6 L N . 18855 1
23 . 1 1 7 7 TYR H H 1 8.484 0.002 9 1 . . . . . 7 Y HN . 18855 1
24 . 1 1 7 7 TYR C C 13 176.079 0.013 2 1 . . . . . 7 Y C . 18855 1
25 . 1 1 7 7 TYR CA C 13 60.632 0.068 3 1 . . . . . 7 Y CA . 18855 1
26 . 1 1 7 7 TYR CB C 13 37.917 0.039 2 1 . . . . . 7 Y CB . 18855 1
27 . 1 1 7 7 TYR N N 15 122.472 0.085 10 1 . . . . . 7 Y N . 18855 1
28 . 1 1 8 8 GLU H H 1 8.742 0.001 9 1 . . . . . 8 E HN . 18855 1
29 . 1 1 8 8 GLU C C 13 175.941 0.200 1 1 . . . . . 8 E C . 18855 1
30 . 1 1 8 8 GLU CA C 13 55.597 0.200 1 1 . . . . . 8 E CA . 18855 1
31 . 1 1 8 8 GLU CB C 13 30.097 0.200 1 1 . . . . . 8 E CB . 18855 1
32 . 1 1 8 8 GLU N N 15 126.617 0.058 10 1 . . . . . 8 E N . 18855 1
33 . 1 1 12 12 PRO C C 13 176.958 0.200 1 1 . . . . . 12 P C . 18855 1
34 . 1 1 12 12 PRO CA C 13 62.839 0.130 2 1 . . . . . 12 P CA . 18855 1
35 . 1 1 12 12 PRO CB C 13 31.459 0.052 2 1 . . . . . 12 P CB . 18855 1
36 . 1 1 13 13 GLN H H 1 8.793 0.001 11 1 . . . . . 13 Q HN . 18855 1
37 . 1 1 13 13 GLN C C 13 176.045 0.005 2 1 . . . . . 13 Q C . 18855 1
38 . 1 1 13 13 GLN CA C 13 55.569 0.081 3 1 . . . . . 13 Q CA . 18855 1
39 . 1 1 13 13 GLN CB C 13 29.084 0.028 3 1 . . . . . 13 Q CB . 18855 1
40 . 1 1 13 13 GLN N N 15 121.046 0.023 13 1 . . . . . 13 Q N . 18855 1
41 . 1 1 14 14 ASN H H 1 8.808 0.004 13 1 . . . . . 14 N HN . 18855 1
42 . 1 1 14 14 ASN C C 13 175.669 0.014 3 1 . . . . . 14 N C . 18855 1
43 . 1 1 14 14 ASN CA C 13 53.014 0.113 3 1 . . . . . 14 N CA . 18855 1
44 . 1 1 14 14 ASN CB C 13 38.262 0.060 3 1 . . . . . 14 N CB . 18855 1
45 . 1 1 14 14 ASN N N 15 120.063 0.036 16 1 . . . . . 14 N N . 18855 1
46 . 1 1 15 15 THR H H 1 8.436 0.001 12 1 . . . . . 15 T HN . 18855 1
47 . 1 1 15 15 THR C C 13 175.297 0.014 2 1 . . . . . 15 T C . 18855 1
48 . 1 1 15 15 THR CA C 13 61.846 0.074 3 1 . . . . . 15 T CA . 18855 1
49 . 1 1 15 15 THR CB C 13 69.355 0.043 3 1 . . . . . 15 T CB . 18855 1
50 . 1 1 15 15 THR N N 15 113.986 0.029 15 1 . . . . . 15 T N . 18855 1
51 . 1 1 16 16 GLY H H 1 8.606 0.003 11 1 . . . . . 16 G HN . 18855 1
52 . 1 1 16 16 GLY C C 13 173.821 0.008 2 1 . . . . . 16 G C . 18855 1
53 . 1 1 16 16 GLY CA C 13 45.005 0.043 3 1 . . . . . 16 G CA . 18855 1
54 . 1 1 16 16 GLY N N 15 110.447 0.038 14 1 . . . . . 16 G N . 18855 1
55 . 1 1 17 17 ASN H H 1 8.504 0.002 10 1 . . . . . 17 N HN . 18855 1
56 . 1 1 17 17 ASN C C 13 175.113 0.009 2 1 . . . . . 17 N C . 18855 1
57 . 1 1 17 17 ASN CA C 13 52.998 0.113 3 1 . . . . . 17 N CA . 18855 1
58 . 1 1 17 17 ASN CB C 13 38.402 0.186 3 1 . . . . . 17 N CB . 18855 1
59 . 1 1 17 17 ASN N N 15 118.852 0.028 13 1 . . . . . 17 N N . 18855 1
60 . 1 1 18 18 ILE H H 1 8.350 0.001 12 1 . . . . . 18 I HN . 18855 1
61 . 1 1 18 18 ILE C C 13 176.070 0.076 2 1 . . . . . 18 I C . 18855 1
62 . 1 1 18 18 ILE CA C 13 60.921 0.090 2 1 . . . . . 18 I CA . 18855 1
63 . 1 1 18 18 ILE CB C 13 37.916 0.036 2 1 . . . . . 18 I CB . 18855 1
64 . 1 1 18 18 ILE N N 15 121.800 0.082 15 1 . . . . . 18 I N . 18855 1
65 . 1 1 19 19 ILE H H 1 8.583 0.003 10 1 . . . . . 19 I HN . 18855 1
66 . 1 1 19 19 ILE C C 13 176.019 0.044 2 1 . . . . . 19 I C . 18855 1
67 . 1 1 19 19 ILE CA C 13 60.746 0.037 3 1 . . . . . 19 I CA . 18855 1
68 . 1 1 19 19 ILE CB C 13 37.751 0.277 2 1 . . . . . 19 I CB . 18855 1
69 . 1 1 19 19 ILE N N 15 126.587 0.054 12 1 . . . . . 19 I N . 18855 1
70 . 1 1 20 20 ARG H H 1 8.721 0.002 9 1 . . . . . 20 R HN . 18855 1
71 . 1 1 20 20 ARG C C 13 174.407 0.200 1 1 . . . . . 20 R C . 18855 1
72 . 1 1 20 20 ARG CA C 13 54.175 0.005 2 1 . . . . . 20 R CA . 18855 1
73 . 1 1 20 20 ARG CB C 13 29.300 0.148 2 1 . . . . . 20 R CB . 18855 1
74 . 1 1 20 20 ARG N N 15 126.819 0.066 10 1 . . . . . 20 R N . 18855 1
75 . 1 1 21 21 LEU H H 1 8.570 0.007 4 1 . . . . . 21 L HN . 18855 1
76 . 1 1 21 21 LEU C C 13 175.439 0.200 1 1 . . . . . 21 L C . 18855 1
77 . 1 1 21 21 LEU CA C 13 57.537 0.016 2 1 . . . . . 21 L CA . 18855 1
78 . 1 1 21 21 LEU CB C 13 38.296 0.127 2 1 . . . . . 21 L CB . 18855 1
79 . 1 1 21 21 LEU N N 15 122.590 0.012 4 1 . . . . . 21 L N . 18855 1
80 . 1 1 22 22 CYS H H 1 8.603 0.002 8 1 . . . . . 22 C HN . 18855 1
81 . 1 1 22 22 CYS C C 13 174.002 0.200 1 1 . . . . . 22 C C . 18855 1
82 . 1 1 22 22 CYS CA C 13 56.303 0.200 1 1 . . . . . 22 C CA . 18855 1
83 . 1 1 22 22 CYS N N 15 124.647 0.046 8 1 . . . . . 22 C N . 18855 1
84 . 1 1 23 23 ALA H H 1 8.400 0.001 4 1 . . . . . 23 A HN . 18855 1
85 . 1 1 23 23 ALA CA C 13 52.251 0.200 1 1 . . . . . 23 A CA . 18855 1
86 . 1 1 23 23 ALA CB C 13 18.681 0.052 2 1 . . . . . 23 A CB . 18855 1
87 . 1 1 23 23 ALA N N 15 124.962 0.043 5 1 . . . . . 23 A N . 18855 1
88 . 1 1 24 24 ASN H H 1 8.403 0.002 7 1 . . . . . 24 N HN . 18855 1
89 . 1 1 24 24 ASN C C 13 175.686 0.200 1 1 . . . . . 24 N C . 18855 1
90 . 1 1 24 24 ASN CA C 13 57.624 0.200 1 1 . . . . . 24 N CA . 18855 1
91 . 1 1 24 24 ASN CB C 13 38.691 0.200 1 1 . . . . . 24 N CB . 18855 1
92 . 1 1 24 24 ASN N N 15 119.597 0.021 7 1 . . . . . 24 N N . 18855 1
93 . 1 1 25 25 THR H H 1 8.468 0.006 6 1 . . . . . 25 T HN . 18855 1
94 . 1 1 25 25 THR C C 13 174.809 0.515 2 1 . . . . . 25 T C . 18855 1
95 . 1 1 25 25 THR CA C 13 61.691 0.095 3 1 . . . . . 25 T CA . 18855 1
96 . 1 1 25 25 THR CB C 13 69.707 0.014 2 1 . . . . . 25 T CB . 18855 1
97 . 1 1 25 25 THR N N 15 115.517 0.007 6 1 . . . . . 25 T N . 18855 1
98 . 1 1 26 26 GLY H H 1 8.510 0.016 9 1 . . . . . 26 G HN . 18855 1
99 . 1 1 26 26 GLY C C 13 173.672 0.003 2 1 . . . . . 26 G C . 18855 1
100 . 1 1 26 26 GLY CA C 13 45.018 0.016 2 1 . . . . . 26 G CA . 18855 1
101 . 1 1 26 26 GLY N N 15 110.503 0.033 10 1 . . . . . 26 G N . 18855 1
102 . 1 1 27 27 PHE H H 1 8.239 0.001 8 1 . . . . . 27 F HN . 18855 1
103 . 1 1 27 27 PHE C C 13 175.601 0.200 1 1 . . . . . 27 F C . 18855 1
104 . 1 1 27 27 PHE CA C 13 57.547 0.200 1 1 . . . . . 27 F CA . 18855 1
105 . 1 1 27 27 PHE CB C 13 38.892 0.200 1 1 . . . . . 27 F CB . 18855 1
106 . 1 1 27 27 PHE N N 15 120.256 0.027 9 1 . . . . . 27 F N . 18855 1
107 . 1 1 28 28 ARG H H 1 8.593 0.001 2 1 . . . . . 28 R HN . 18855 1
108 . 1 1 28 28 ARG C C 13 175.746 0.200 1 1 . . . . . 28 R C . 18855 1
109 . 1 1 28 28 ARG CA C 13 55.391 0.200 1 1 . . . . . 28 R CA . 18855 1
110 . 1 1 28 28 ARG CB C 13 30.316 0.020 2 1 . . . . . 28 R CB . 18855 1
111 . 1 1 28 28 ARG N N 15 123.688 0.024 2 1 . . . . . 28 R N . 18855 1
112 . 1 1 29 29 LEU H H 1 8.511 0.003 10 1 . . . . . 29 L HN . 18855 1
113 . 1 1 29 29 LEU C C 13 176.939 0.068 2 1 . . . . . 29 L C . 18855 1
114 . 1 1 29 29 LEU CA C 13 58.721 3.950 2 1 . . . . . 29 L CA . 18855 1
115 . 1 1 29 29 LEU CB C 13 36.673 5.068 2 1 . . . . . 29 L CB . 18855 1
116 . 1 1 29 29 LEU N N 15 124.309 0.057 10 1 . . . . . 29 L N . 18855 1
117 . 1 1 30 30 HIS H H 1 8.710 0.003 10 1 . . . . . 30 H HN . 18855 1
118 . 1 1 30 30 HIS C C 13 175.261 0.001 2 1 . . . . . 30 H C . 18855 1
119 . 1 1 30 30 HIS CA C 13 56.203 0.200 2 1 . . . . . 30 H CA . 18855 1
120 . 1 1 30 30 HIS CB C 13 30.605 0.066 3 1 . . . . . 30 H CB . 18855 1
121 . 1 1 30 30 HIS N N 15 121.416 0.052 12 1 . . . . . 30 H N . 18855 1
122 . 1 1 31 31 LEU H H 1 8.432 0.002 10 1 . . . . . 31 L HN . 18855 1
123 . 1 1 31 31 LEU C C 13 176.916 0.041 2 1 . . . . . 31 L C . 18855 1
124 . 1 1 31 31 LEU CA C 13 54.450 0.203 2 1 . . . . . 31 L CA . 18855 1
125 . 1 1 31 31 LEU CB C 13 41.434 0.030 2 1 . . . . . 31 L CB . 18855 1
126 . 1 1 31 31 LEU N N 15 124.255 0.069 11 1 . . . . . 31 L N . 18855 1
127 . 1 1 32 32 ILE H H 1 8.582 0.002 9 1 . . . . . 32 I HN . 18855 1
128 . 1 1 32 32 ILE C C 13 175.692 0.291 2 1 . . . . . 32 I C . 18855 1
129 . 1 1 32 32 ILE CA C 13 57.384 0.200 1 1 . . . . . 32 I CA . 18855 1
130 . 1 1 32 32 ILE CB C 13 38.517 0.200 1 1 . . . . . 32 I CB . 18855 1
131 . 1 1 32 32 ILE N N 15 122.217 0.028 9 1 . . . . . 32 I N . 18855 1
132 . 1 1 33 33 GLU H H 1 8.683 0.001 7 1 . . . . . 33 E HN . 18855 1
133 . 1 1 33 33 GLU C C 13 177.197 0.200 1 1 . . . . . 33 E C . 18855 1
134 . 1 1 33 33 GLU N N 15 124.790 0.099 7 1 . . . . . 33 E N . 18855 1
135 . 1 1 35 35 LEU H H 1 8.577 0.004 4 1 . . . . . 35 L HN . 18855 1
136 . 1 1 35 35 LEU C C 13 178.106 0.200 1 1 . . . . . 35 L C . 18855 1
137 . 1 1 35 35 LEU CA C 13 55.019 0.060 2 1 . . . . . 35 L CA . 18855 1
138 . 1 1 35 35 LEU CB C 13 41.530 0.200 1 1 . . . . . 35 L CB . 18855 1
139 . 1 1 35 35 LEU N N 15 122.556 0.059 4 1 . . . . . 35 L N . 18855 1
140 . 1 1 36 36 GLY H H 1 8.601 0.003 7 1 . . . . . 36 G HN . 18855 1
141 . 1 1 36 36 GLY C C 13 173.562 0.017 2 1 . . . . . 36 G C . 18855 1
142 . 1 1 36 36 GLY CA C 13 44.722 0.026 3 1 . . . . . 36 G CA . 18855 1
143 . 1 1 36 36 GLY N N 15 109.721 0.072 8 1 . . . . . 36 G N . 18855 1
144 . 1 1 37 37 PHE H H 1 8.317 0.002 10 1 . . . . . 37 F HN . 18855 1
145 . 1 1 37 37 PHE C C 13 176.041 0.009 2 1 . . . . . 37 F C . 18855 1
146 . 1 1 37 37 PHE CA C 13 57.535 0.191 3 1 . . . . . 37 F CA . 18855 1
147 . 1 1 37 37 PHE CB C 13 39.260 0.157 3 1 . . . . . 37 F CB . 18855 1
148 . 1 1 37 37 PHE N N 15 120.121 0.028 13 1 . . . . . 37 F N . 18855 1
149 . 1 1 38 38 THR H H 1 8.390 0.001 12 1 . . . . . 38 T HN . 18855 1
150 . 1 1 38 38 THR C C 13 174.222 0.010 2 1 . . . . . 38 T C . 18855 1
151 . 1 1 38 38 THR CA C 13 61.274 0.035 3 1 . . . . . 38 T CA . 18855 1
152 . 1 1 38 38 THR CB C 13 69.783 0.043 3 1 . . . . . 38 T CB . 18855 1
153 . 1 1 38 38 THR N N 15 116.143 0.036 15 1 . . . . . 38 T N . 18855 1
154 . 1 1 39 39 TRP H H 1 8.421 0.002 12 1 . . . . . 39 W HN . 18855 1
155 . 1 1 39 39 TRP C C 13 175.844 0.005 2 1 . . . . . 39 W C . 18855 1
156 . 1 1 39 39 TRP CA C 13 57.305 0.113 3 1 . . . . . 39 W CA . 18855 1
157 . 1 1 39 39 TRP CB C 13 28.978 0.033 3 1 . . . . . 39 W CB . 18855 1
158 . 1 1 39 39 TRP N N 15 123.163 0.031 15 1 . . . . . 39 W N . 18855 1
159 . 1 1 40 40 ASP H H 1 8.414 0.002 11 1 . . . . . 40 D HN . 18855 1
160 . 1 1 40 40 ASP C C 13 175.763 0.035 2 1 . . . . . 40 D C . 18855 1
161 . 1 1 40 40 ASP CA C 13 53.618 0.143 2 1 . . . . . 40 D CA . 18855 1
162 . 1 1 40 40 ASP CB C 13 40.587 0.041 3 1 . . . . . 40 D CB . 18855 1
163 . 1 1 40 40 ASP N N 15 121.748 0.053 12 1 . . . . . 40 D N . 18855 1
164 . 1 1 41 41 ASP H H 1 8.303 0.003 9 1 . . . . . 41 D HN . 18855 1
165 . 1 1 41 41 ASP C C 13 176.911 0.030 2 1 . . . . . 41 D C . 18855 1
166 . 1 1 41 41 ASP CA C 13 54.276 0.024 2 1 . . . . . 41 D CA . 18855 1
167 . 1 1 41 41 ASP CB C 13 40.630 0.059 2 1 . . . . . 41 D CB . 18855 1
168 . 1 1 41 41 ASP N N 15 121.648 0.030 10 1 . . . . . 41 D N . 18855 1
169 . 1 1 42 42 LYS H H 1 8.587 0.001 9 1 . . . . . 42 K HN . 18855 1
170 . 1 1 42 42 LYS C C 13 177.091 0.001 2 1 . . . . . 42 K C . 18855 1
171 . 1 1 42 42 LYS CA C 13 56.496 0.123 3 1 . . . . . 42 K CA . 18855 1
172 . 1 1 42 42 LYS CB C 13 31.520 0.080 3 1 . . . . . 42 K CB . 18855 1
173 . 1 1 42 42 LYS N N 15 122.043 0.055 11 1 . . . . . 42 K N . 18855 1
174 . 1 1 43 43 ARG H H 1 8.383 0.003 11 1 . . . . . 43 R HN . 18855 1
175 . 1 1 43 43 ARG C C 13 176.655 0.029 2 1 . . . . . 43 R C . 18855 1
176 . 1 1 43 43 ARG CA C 13 56.343 0.153 3 1 . . . . . 43 R CA . 18855 1
177 . 1 1 43 43 ARG CB C 13 29.753 0.053 3 1 . . . . . 43 R CB . 18855 1
178 . 1 1 43 43 ARG N N 15 120.219 0.032 12 1 . . . . . 43 R N . 18855 1
179 . 1 1 44 44 LEU H H 1 8.282 0.002 10 1 . . . . . 44 L HN . 18855 1
180 . 1 1 44 44 LEU C C 13 177.377 0.200 1 1 . . . . . 44 L C . 18855 1
181 . 1 1 44 44 LEU CA C 13 54.669 0.251 2 1 . . . . . 44 L CA . 18855 1
182 . 1 1 44 44 LEU CB C 13 41.436 0.014 2 1 . . . . . 44 L CB . 18855 1
183 . 1 1 44 44 LEU N N 15 122.161 0.051 11 1 . . . . . 44 L N . 18855 1
184 . 1 1 45 45 ARG H H 1 8.529 0.053 6 1 . . . . . 45 R HN . 18855 1
185 . 1 1 45 45 ARG C C 13 176.446 0.200 1 1 . . . . . 45 R C . 18855 1
186 . 1 1 45 45 ARG CA C 13 55.762 0.200 1 1 . . . . . 45 R CA . 18855 1
187 . 1 1 45 45 ARG CB C 13 30.027 0.054 2 1 . . . . . 45 R CB . 18855 1
188 . 1 1 45 45 ARG N N 15 122.563 0.079 6 1 . . . . . 45 R N . 18855 1
189 . 1 1 46 46 ARG H H 1 8.777 0.001 10 1 . . . . . 46 R HN . 18855 1
190 . 1 1 46 46 ARG C C 13 176.441 0.015 2 1 . . . . . 46 R C . 18855 1
191 . 1 1 46 46 ARG CA C 13 55.995 0.050 2 1 . . . . . 46 R CA . 18855 1
192 . 1 1 46 46 ARG CB C 13 30.184 0.006 2 1 . . . . . 46 R CB . 18855 1
193 . 1 1 46 46 ARG N N 15 123.420 0.037 11 1 . . . . . 46 R N . 18855 1
194 . 1 1 47 47 SER H H 1 8.720 0.002 9 1 . . . . . 47 S HN . 18855 1
195 . 1 1 47 47 SER C C 13 175.041 0.009 2 1 . . . . . 47 S C . 18855 1
196 . 1 1 47 47 SER CA C 13 58.032 0.094 3 1 . . . . . 47 S CA . 18855 1
197 . 1 1 47 47 SER CB C 13 63.584 0.048 2 1 . . . . . 47 S CB . 18855 1
198 . 1 1 47 47 SER N N 15 117.515 0.018 10 1 . . . . . 47 S N . 18855 1
199 . 1 1 48 48 GLY H H 1 8.688 0.001 8 1 . . . . . 48 G HN . 18855 1
200 . 1 1 48 48 GLY C C 13 173.964 0.036 2 1 . . . . . 48 G C . 18855 1
201 . 1 1 48 48 GLY CA C 13 45.123 0.018 2 1 . . . . . 48 G CA . 18855 1
202 . 1 1 48 48 GLY N N 15 110.911 0.013 9 1 . . . . . 48 G N . 18855 1
203 . 1 1 49 49 LEU H H 1 8.267 0.001 5 1 . . . . . 49 L HN . 18855 1
204 . 1 1 49 49 LEU C C 13 175.792 0.200 1 1 . . . . . 49 L C . 18855 1
205 . 1 1 49 49 LEU CA C 13 54.685 0.072 3 1 . . . . . 49 L CA . 18855 1
206 . 1 1 49 49 LEU CB C 13 41.732 0.003 2 1 . . . . . 49 L CB . 18855 1
207 . 1 1 49 49 LEU N N 15 121.037 0.025 5 1 . . . . . 49 L N . 18855 1
208 . 1 1 50 50 ASP H H 1 8.600 0.002 10 1 . . . . . 50 D HN . 18855 1
209 . 1 1 50 50 ASP C C 13 176.008 0.076 2 1 . . . . . 50 D C . 18855 1
210 . 1 1 50 50 ASP CA C 13 54.093 0.034 3 1 . . . . . 50 D CA . 18855 1
211 . 1 1 50 50 ASP CB C 13 40.847 0.081 2 1 . . . . . 50 D CB . 18855 1
212 . 1 1 50 50 ASP N N 15 120.638 0.025 11 1 . . . . . 50 D N . 18855 1
213 . 1 1 51 51 TYR H H 1 8.304 0.003 10 1 . . . . . 51 Y HN . 18855 1
214 . 1 1 51 51 TYR C C 13 175.442 0.026 2 1 . . . . . 51 Y C . 18855 1
215 . 1 1 51 51 TYR CA C 13 57.789 0.036 3 1 . . . . . 51 Y CA . 18855 1
216 . 1 1 51 51 TYR CB C 13 38.278 0.067 2 1 . . . . . 51 Y CB . 18855 1
217 . 1 1 51 51 TYR N N 15 120.595 0.041 12 1 . . . . . 51 Y N . 18855 1
218 . 1 1 52 52 HIS H H 1 8.369 0.001 9 1 . . . . . 52 H HN . 18855 1
219 . 1 1 52 52 HIS C C 13 175.181 0.027 2 1 . . . . . 52 H C . 18855 1
220 . 1 1 52 52 HIS CA C 13 56.051 0.200 1 1 . . . . . 52 H CA . 18855 1
221 . 1 1 52 52 HIS CB C 13 30.779 0.009 3 1 . . . . . 52 H CB . 18855 1
222 . 1 1 52 52 HIS N N 15 122.055 0.068 10 1 . . . . . 52 H N . 18855 1
223 . 1 1 53 53 GLU H H 1 8.414 0.001 9 1 . . . . . 53 E HN . 18855 1
224 . 1 1 53 53 GLU C C 13 176.147 0.016 2 1 . . . . . 53 E C . 18855 1
225 . 1 1 53 53 GLU CA C 13 56.194 0.102 3 1 . . . . . 53 E CA . 18855 1
226 . 1 1 53 53 GLU CB C 13 29.849 0.024 3 1 . . . . . 53 E CB . 18855 1
227 . 1 1 53 53 GLU N N 15 122.584 0.041 9 1 . . . . . 53 E N . 18855 1
228 . 1 1 54 54 PHE H H 1 8.534 0.001 10 1 . . . . . 54 F HN . 18855 1
229 . 1 1 54 54 PHE C C 13 175.522 0.014 2 1 . . . . . 54 F C . 18855 1
230 . 1 1 54 54 PHE CA C 13 57.402 0.108 2 1 . . . . . 54 F CA . 18855 1
231 . 1 1 54 54 PHE CB C 13 38.957 0.027 3 1 . . . . . 54 F CB . 18855 1
232 . 1 1 54 54 PHE N N 15 120.769 0.045 11 1 . . . . . 54 F N . 18855 1
233 . 1 1 55 55 ALA H H 1 8.386 0.002 10 1 . . . . . 55 A HN . 18855 1
234 . 1 1 55 55 ALA C C 13 177.318 0.015 2 1 . . . . . 55 A C . 18855 1
235 . 1 1 55 55 ALA CA C 13 52.175 0.001 2 1 . . . . . 55 A CA . 18855 1
236 . 1 1 55 55 ALA CB C 13 18.798 0.028 2 1 . . . . . 55 A CB . 18855 1
237 . 1 1 55 55 ALA N N 15 125.258 0.052 12 1 . . . . . 55 A N . 18855 1
238 . 1 1 56 56 GLU H H 1 8.507 0.001 8 1 . . . . . 56 E HN . 18855 1
239 . 1 1 56 56 GLU C C 13 176.421 0.006 2 1 . . . . . 56 E C . 18855 1
240 . 1 1 56 56 GLU CA C 13 55.773 0.232 4 1 . . . . . 56 E CA . 18855 1
241 . 1 1 56 56 GLU CB C 13 29.124 0.649 2 1 . . . . . 56 E CB . 18855 1
242 . 1 1 56 56 GLU N N 15 120.820 0.067 9 1 . . . . . 56 E N . 18855 1
243 . 1 1 57 57 ILE H H 1 8.492 0.001 11 1 . . . . . 57 I HN . 18855 1
244 . 1 1 57 57 ILE C C 13 176.262 0.048 2 1 . . . . . 57 I C . 18855 1
245 . 1 1 57 57 ILE CA C 13 60.909 0.015 2 1 . . . . . 57 I CA . 18855 1
246 . 1 1 57 57 ILE CB C 13 37.759 0.093 2 1 . . . . . 57 I CB . 18855 1
247 . 1 1 57 57 ILE N N 15 123.559 0.045 12 1 . . . . . 57 I N . 18855 1
248 . 1 1 58 58 LYS H H 1 8.687 0.003 9 1 . . . . . 58 K HN . 18855 1
249 . 1 1 58 58 LYS C C 13 176.436 0.028 2 1 . . . . . 58 K C . 18855 1
250 . 1 1 58 58 LYS CA C 13 55.976 0.018 2 1 . . . . . 58 K CA . 18855 1
251 . 1 1 58 58 LYS CB C 13 32.169 0.077 2 1 . . . . . 58 K CB . 18855 1
252 . 1 1 58 58 LYS N N 15 126.633 0.079 11 1 . . . . . 58 K N . 18855 1
253 . 1 1 59 59 ARG H H 1 8.677 0.002 10 1 . . . . . 59 R HN . 18855 1
254 . 1 1 59 59 ARG C C 13 176.248 0.018 2 1 . . . . . 59 R C . 18855 1
255 . 1 1 59 59 ARG CA C 13 55.724 0.054 2 1 . . . . . 59 R CA . 18855 1
256 . 1 1 59 59 ARG CB C 13 30.104 0.009 2 1 . . . . . 59 R CB . 18855 1
257 . 1 1 59 59 ARG N N 15 123.359 0.067 12 1 . . . . . 59 R N . 18855 1
258 . 1 1 60 60 HIS H H 1 8.633 0.001 9 1 . . . . . 60 H HN . 18855 1
259 . 1 1 60 60 HIS C C 13 175.678 0.003 2 1 . . . . . 60 H C . 18855 1
260 . 1 1 60 60 HIS CA C 13 56.110 0.007 2 1 . . . . . 60 H CA . 18855 1
261 . 1 1 60 60 HIS CB C 13 30.968 0.050 3 1 . . . . . 60 H CB . 18855 1
262 . 1 1 60 60 HIS N N 15 122.019 0.034 11 1 . . . . . 60 H N . 18855 1
263 . 1 1 61 61 LYS H H 1 8.664 0.003 11 1 . . . . . 61 K HN . 18855 1
264 . 1 1 61 61 LYS C C 13 176.594 0.030 2 1 . . . . . 61 K C . 18855 1
265 . 1 1 61 61 LYS CA C 13 55.990 0.070 4 1 . . . . . 61 K CA . 18855 1
266 . 1 1 61 61 LYS CB C 13 32.547 0.049 3 1 . . . . . 61 K CB . 18855 1
267 . 1 1 61 61 LYS N N 15 123.517 0.049 13 1 . . . . . 61 K N . 18855 1
268 . 1 1 62 62 THR H H 1 8.475 0.002 9 1 . . . . . 62 T HN . 18855 1
269 . 1 1 62 62 THR C C 13 174.310 0.007 2 1 . . . . . 62 T C . 18855 1
270 . 1 1 62 62 THR CA C 13 61.626 0.200 1 1 . . . . . 62 T CA . 18855 1
271 . 1 1 62 62 THR CB C 13 69.751 0.009 2 1 . . . . . 62 T CB . 18855 1
272 . 1 1 62 62 THR N N 15 115.978 0.087 10 1 . . . . . 62 T N . 18855 1
273 . 1 1 63 63 PHE H H 1 8.616 0.002 9 1 . . . . . 63 F HN . 18855 1
274 . 1 1 63 63 PHE C C 13 175.519 0.037 2 1 . . . . . 63 F C . 18855 1
275 . 1 1 63 63 PHE CA C 13 57.849 0.200 2 1 . . . . . 63 F CA . 18855 1
276 . 1 1 63 63 PHE CB C 13 38.859 0.242 2 1 . . . . . 63 F CB . 18855 1
277 . 1 1 63 63 PHE N N 15 122.520 0.022 10 1 . . . . . 63 F N . 18855 1
278 . 1 1 64 64 GLU H H 1 8.580 0.001 9 1 . . . . . 64 E HN . 18855 1
279 . 1 1 64 64 GLU C C 13 175.746 0.007 2 1 . . . . . 64 E C . 18855 1
280 . 1 1 64 64 GLU CA C 13 55.918 0.069 3 1 . . . . . 64 E CA . 18855 1
281 . 1 1 64 64 GLU CB C 13 29.803 0.025 2 1 . . . . . 64 E CB . 18855 1
282 . 1 1 64 64 GLU N N 15 123.314 0.035 10 1 . . . . . 64 E N . 18855 1
283 . 1 1 65 65 ALA H H 1 8.414 0.001 11 1 . . . . . 65 A HN . 18855 1
284 . 1 1 65 65 ALA C C 13 177.439 0.012 3 1 . . . . . 65 A C . 18855 1
285 . 1 1 65 65 ALA CA C 13 52.302 0.030 2 1 . . . . . 65 A CA . 18855 1
286 . 1 1 65 65 ALA CB C 13 18.572 0.011 2 1 . . . . . 65 A CB . 18855 1
287 . 1 1 65 65 ALA N N 15 125.218 0.034 13 1 . . . . . 65 A N . 18855 1
288 . 1 1 66 66 PHE H H 1 8.443 0.001 9 1 . . . . . 66 F HN . 18855 1
289 . 1 1 66 66 PHE C C 13 175.700 0.005 2 1 . . . . . 66 F C . 18855 1
290 . 1 1 66 66 PHE CA C 13 57.338 0.012 2 1 . . . . . 66 F CA . 18855 1
291 . 1 1 66 66 PHE CB C 13 38.781 0.029 2 1 . . . . . 66 F CB . 18855 1
292 . 1 1 66 66 PHE N N 15 119.824 0.024 11 1 . . . . . 66 F N . 18855 1
293 . 1 1 67 67 LEU H H 1 8.430 0.002 9 1 . . . . . 67 L HN . 18855 1
294 . 1 1 67 67 LEU C C 13 177.248 0.026 2 1 . . . . . 67 L C . 18855 1
295 . 1 1 67 67 LEU CA C 13 54.501 0.092 4 1 . . . . . 67 L CA . 18855 1
296 . 1 1 67 67 LEU CB C 13 41.570 0.089 3 1 . . . . . 67 L CB . 18855 1
297 . 1 1 67 67 LEU N N 15 124.457 0.102 10 1 . . . . . 67 L N . 18855 1
298 . 1 1 68 68 GLU H H 1 8.647 0.004 12 1 . . . . . 68 E HN . 18855 1
299 . 1 1 68 68 GLU C C 13 176.771 0.200 1 1 . . . . . 68 E C . 18855 1
300 . 1 1 68 68 GLU CA C 13 56.254 0.002 2 1 . . . . . 68 E CA . 18855 1
301 . 1 1 68 68 GLU CB C 13 29.683 0.017 2 1 . . . . . 68 E CB . 18855 1
302 . 1 1 68 68 GLU N N 15 122.559 0.048 14 1 . . . . . 68 E N . 18855 1
303 . 1 1 69 69 SER H H 1 8.532 0.011 7 1 . . . . . 69 S HN . 18855 1
304 . 1 1 69 69 SER C C 13 174.750 0.070 2 1 . . . . . 69 S C . 18855 1
305 . 1 1 69 69 SER CA C 13 58.371 0.020 2 1 . . . . . 69 S CA . 18855 1
306 . 1 1 69 69 SER CB C 13 63.336 0.200 1 1 . . . . . 69 S CB . 18855 1
307 . 1 1 69 69 SER N N 15 116.608 0.117 10 1 . . . . . 69 S N . 18855 1
308 . 1 1 70 70 GLU H H 1 8.623 0.002 10 1 . . . . . 70 E HN . 18855 1
309 . 1 1 70 70 GLU C C 13 176.549 0.039 2 1 . . . . . 70 E C . 18855 1
310 . 1 1 70 70 GLU CA C 13 56.243 0.277 2 1 . . . . . 70 E CA . 18855 1
311 . 1 1 70 70 GLU CB C 13 29.994 0.035 2 1 . . . . . 70 E CB . 18855 1
312 . 1 1 70 70 GLU N N 15 122.785 0.026 11 1 . . . . . 70 E N . 18855 1
313 . 1 1 71 71 LYS H H 1 8.562 0.002 8 1 . . . . . 71 K HN . 18855 1
314 . 1 1 71 71 LYS C C 13 176.260 0.200 1 1 . . . . . 71 K C . 18855 1
315 . 1 1 71 71 LYS N N 15 123.073 0.070 8 1 . . . . . 71 K N . 18855 1
316 . 1 1 72 72 PRO C C 13 176.915 0.200 1 1 . . . . . 72 P C . 18855 1
317 . 1 1 72 72 PRO CA C 13 62.284 0.200 1 1 . . . . . 72 P CA . 18855 1
318 . 1 1 72 72 PRO CB C 13 32.148 0.200 1 1 . . . . . 72 P CB . 18855 1
319 . 1 1 73 73 LYS H H 1 8.726 0.003 8 1 . . . . . 73 K HN . 18855 1
320 . 1 1 73 73 LYS C C 13 176.771 0.014 2 1 . . . . . 73 K C . 18855 1
321 . 1 1 73 73 LYS CA C 13 56.212 0.126 2 1 . . . . . 73 K CA . 18855 1
322 . 1 1 73 73 LYS CB C 13 29.243 0.064 2 1 . . . . . 73 K CB . 18855 1
323 . 1 1 73 73 LYS N N 15 122.622 0.038 8 1 . . . . . 73 K N . 18855 1
324 . 1 1 74 74 ARG H H 1 8.694 0.002 9 1 . . . . . 74 R HN . 18855 1
325 . 1 1 74 74 ARG C C 13 175.976 0.003 2 1 . . . . . 74 R C . 18855 1
326 . 1 1 74 74 ARG CA C 13 55.718 0.175 3 1 . . . . . 74 R CA . 18855 1
327 . 1 1 74 74 ARG CB C 13 30.125 0.048 2 1 . . . . . 74 R CB . 18855 1
328 . 1 1 74 74 ARG N N 15 123.109 0.016 10 1 . . . . . 74 R N . 18855 1
329 . 1 1 75 75 LEU H H 1 8.592 0.007 10 1 . . . . . 75 L HN . 18855 1
330 . 1 1 75 75 LEU C C 13 176.983 0.009 2 1 . . . . . 75 L C . 18855 1
331 . 1 1 75 75 LEU CA C 13 54.676 0.041 2 1 . . . . . 75 L CA . 18855 1
332 . 1 1 75 75 LEU CB C 13 41.629 0.068 2 1 . . . . . 75 L CB . 18855 1
333 . 1 1 75 75 LEU N N 15 124.574 0.065 12 1 . . . . . 75 L N . 18855 1
334 . 1 1 76 76 PHE H H 1 8.609 0.002 9 1 . . . . . 76 F HN . 18855 1
335 . 1 1 76 76 PHE C C 13 175.457 0.013 2 1 . . . . . 76 F C . 18855 1
336 . 1 1 76 76 PHE CA C 13 57.217 0.030 3 1 . . . . . 76 F CA . 18855 1
337 . 1 1 76 76 PHE CB C 13 39.105 0.100 3 1 . . . . . 76 F CB . 18855 1
338 . 1 1 76 76 PHE N N 15 121.414 0.027 11 1 . . . . . 76 F N . 18855 1
339 . 1 1 77 77 ALA H H 1 8.599 0.002 11 1 . . . . . 77 A HN . 18855 1
340 . 1 1 77 77 ALA C C 13 177.410 0.007 2 1 . . . . . 77 A C . 18855 1
341 . 1 1 77 77 ALA CA C 13 51.920 0.065 3 1 . . . . . 77 A CA . 18855 1
342 . 1 1 77 77 ALA CB C 13 18.708 0.107 3 1 . . . . . 77 A CB . 18855 1
343 . 1 1 77 77 ALA N N 15 125.438 0.024 13 1 . . . . . 77 A N . 18855 1
344 . 1 1 78 78 LEU H H 1 8.538 0.003 12 1 . . . . . 78 L HN . 18855 1
345 . 1 1 78 78 LEU C C 13 177.775 0.019 2 1 . . . . . 78 L C . 18855 1
346 . 1 1 78 78 LEU CA C 13 54.687 0.063 3 1 . . . . . 78 L CA . 18855 1
347 . 1 1 78 78 LEU CB C 13 41.580 0.045 3 1 . . . . . 78 L CB . 18855 1
348 . 1 1 78 78 LEU N N 15 122.189 0.027 13 1 . . . . . 78 L N . 18855 1
349 . 1 1 79 79 THR H H 1 8.496 0.007 11 1 . . . . . 79 T HN . 18855 1
350 . 1 1 79 79 THR C C 13 174.868 0.006 2 1 . . . . . 79 T C . 18855 1
351 . 1 1 79 79 THR CA C 13 61.197 0.016 2 1 . . . . . 79 T CA . 18855 1
352 . 1 1 79 79 THR CB C 13 69.700 0.017 2 1 . . . . . 79 T CB . 18855 1
353 . 1 1 79 79 THR N N 15 115.001 0.016 13 1 . . . . . 79 T N . 18855 1
354 . 1 1 80 80 THR H H 1 8.484 0.002 9 1 . . . . . 80 T HN . 18855 1
355 . 1 1 80 80 THR C C 13 174.694 0.007 2 1 . . . . . 80 T C . 18855 1
356 . 1 1 80 80 THR CA C 13 61.498 0.065 3 1 . . . . . 80 T CA . 18855 1
357 . 1 1 80 80 THR CB C 13 69.516 0.032 3 1 . . . . . 80 T CB . 18855 1
358 . 1 1 80 80 THR N N 15 116.404 0.090 11 1 . . . . . 80 T N . 18855 1
359 . 1 1 81 81 LYS H H 1 8.606 0.002 11 1 . . . . . 81 K HN . 18855 1
360 . 1 1 81 81 LYS C C 13 177.074 0.200 1 1 . . . . . 81 K C . 18855 1
361 . 1 1 81 81 LYS CA C 13 56.164 0.200 1 1 . . . . . 81 K CA . 18855 1
362 . 1 1 81 81 LYS CB C 13 32.423 0.200 1 1 . . . . . 81 K CB . 18855 1
363 . 1 1 81 81 LYS N N 15 123.741 0.020 12 1 . . . . . 81 K N . 18855 1
364 . 1 1 82 82 GLY H H 1 8.610 0.000 1 1 . . . . . 82 G HN . 18855 1
365 . 1 1 82 82 GLY C C 13 173.583 0.200 1 1 . . . . . 82 G C . 18855 1
366 . 1 1 82 82 GLY CA C 13 44.707 0.200 1 1 . . . . . 82 G CA . 18855 1
367 . 1 1 82 82 GLY N N 15 110.010 0.017 2 1 . . . . . 82 G N . 18855 1
368 . 1 1 83 83 CYS H H 1 8.306 0.001 8 1 . . . . . 83 C HN . 18855 1
369 . 1 1 83 83 CYS C C 13 174.772 0.200 1 1 . . . . . 83 C C . 18855 1
370 . 1 1 83 83 CYS CA C 13 58.538 0.200 1 1 . . . . . 83 C CA . 18855 1
371 . 1 1 83 83 CYS CB C 13 38.116 0.200 1 1 . . . . . 83 C CB . 18855 1
372 . 1 1 83 83 CYS N N 15 121.650 0.024 8 1 . . . . . 83 C N . 18855 1
373 . 1 1 84 84 PRO C C 13 176.751 0.200 1 1 . . . . . 84 P C . 18855 1
374 . 1 1 84 84 PRO CA C 13 62.905 0.197 2 1 . . . . . 84 P CA . 18855 1
375 . 1 1 84 84 PRO CB C 13 31.822 0.112 2 1 . . . . . 84 P CB . 18855 1
376 . 1 1 85 85 ALA H H 1 8.713 0.002 11 1 . . . . . 85 A HN . 18855 1
377 . 1 1 85 85 ALA C C 13 177.883 0.001 2 1 . . . . . 85 A C . 18855 1
378 . 1 1 85 85 ALA CA C 13 52.541 0.054 3 1 . . . . . 85 A CA . 18855 1
379 . 1 1 85 85 ALA CB C 13 18.503 0.132 3 1 . . . . . 85 A CB . 18855 1
380 . 1 1 85 85 ALA N N 15 124.463 0.071 13 1 . . . . . 85 A N . 18855 1
381 . 1 1 86 86 HIS H H 1 8.342 0.002 12 1 . . . . . 86 H HN . 18855 1
382 . 1 1 86 86 HIS C C 13 175.901 0.025 2 1 . . . . . 86 H C . 18855 1
383 . 1 1 86 86 HIS CA C 13 56.579 0.037 2 1 . . . . . 86 H CA . 18855 1
384 . 1 1 86 86 HIS CB C 13 30.727 0.090 2 1 . . . . . 86 H CB . 18855 1
385 . 1 1 86 86 HIS N N 15 118.495 0.021 15 1 . . . . . 86 H N . 18855 1
386 . 1 1 87 87 SER H H 1 8.396 0.033 8 1 . . . . . 87 S HN . 18855 1
387 . 1 1 87 87 SER C C 13 174.610 0.006 2 1 . . . . . 87 S C . 18855 1
388 . 1 1 87 87 SER CA C 13 58.135 0.200 1 1 . . . . . 87 S CA . 18855 1
389 . 1 1 87 87 SER CB C 13 63.195 0.200 1 1 . . . . . 87 S CB . 18855 1
390 . 1 1 87 87 SER N N 15 116.554 0.124 11 1 . . . . . 87 S N . 18855 1
391 . 1 1 88 88 GLN H H 1 8.554 0.004 8 1 . . . . . 88 Q HN . 18855 1
392 . 1 1 88 88 GLN C C 13 176.400 0.056 2 1 . . . . . 88 Q C . 18855 1
393 . 1 1 88 88 GLN CA C 13 56.157 0.082 2 1 . . . . . 88 Q CA . 18855 1
394 . 1 1 88 88 GLN CB C 13 29.815 0.032 2 1 . . . . . 88 Q CB . 18855 1
395 . 1 1 88 88 GLN N N 15 122.737 0.084 11 1 . . . . . 88 Q N . 18855 1
396 . 1 1 89 89 VAL H H 1 8.547 0.002 10 1 . . . . . 89 V HN . 18855 1
397 . 1 1 89 89 VAL C C 13 175.528 0.392 2 1 . . . . . 89 V C . 18855 1
398 . 1 1 89 89 VAL CA C 13 62.075 0.057 3 1 . . . . . 89 V CA . 18855 1
399 . 1 1 89 89 VAL CB C 13 31.782 0.047 3 1 . . . . . 89 V CB . 18855 1
400 . 1 1 89 89 VAL N N 15 123.976 0.059 11 1 . . . . . 89 V N . 18855 1
401 . 1 1 90 90 LYS H H 1 8.575 0.003 10 1 . . . . . 90 K HN . 18855 1
402 . 1 1 90 90 LYS C C 13 176.207 0.012 2 1 . . . . . 90 K C . 18855 1
403 . 1 1 90 90 LYS CA C 13 55.829 0.139 3 1 . . . . . 90 K CA . 18855 1
404 . 1 1 90 90 LYS CB C 13 32.444 0.133 3 1 . . . . . 90 K CB . 18855 1
405 . 1 1 90 90 LYS N N 15 125.698 0.037 11 1 . . . . . 90 K N . 18855 1
406 . 1 1 91 91 PHE H H 1 8.535 0.006 7 1 . . . . . 91 F HN . 18855 1
407 . 1 1 91 91 PHE C C 13 175.534 0.200 1 1 . . . . . 91 F C . 18855 1
408 . 1 1 91 91 PHE CA C 13 57.240 0.014 2 1 . . . . . 91 F CA . 18855 1
409 . 1 1 91 91 PHE CB C 13 39.197 0.037 2 1 . . . . . 91 F CB . 18855 1
410 . 1 1 91 91 PHE N N 15 122.251 0.059 9 1 . . . . . 91 F N . 18855 1
411 . 1 1 92 92 LYS H H 1 8.696 0.002 11 1 . . . . . 92 K HN . 18855 1
412 . 1 1 92 92 LYS C C 13 176.209 0.009 2 1 . . . . . 92 K C . 18855 1
413 . 1 1 92 92 LYS CA C 13 55.606 0.024 2 1 . . . . . 92 K CA . 18855 1
414 . 1 1 92 92 LYS CB C 13 32.607 0.032 3 1 . . . . . 92 K CB . 18855 1
415 . 1 1 92 92 LYS N N 15 124.248 0.026 12 1 . . . . . 92 K N . 18855 1
416 . 1 1 93 93 LEU H H 1 8.614 0.002 10 1 . . . . . 93 L HN . 18855 1
417 . 1 1 93 93 LEU C C 13 177.922 0.002 2 1 . . . . . 93 L C . 18855 1
418 . 1 1 93 93 LEU CA C 13 55.146 0.028 2 1 . . . . . 93 L CA . 18855 1
419 . 1 1 93 93 LEU CB C 13 41.542 0.014 3 1 . . . . . 93 L CB . 18855 1
420 . 1 1 93 93 LEU N N 15 124.606 0.017 12 1 . . . . . 93 L N . 18855 1
421 . 1 1 94 94 GLY H H 1 8.657 0.021 10 1 . . . . . 94 G HN . 18855 1
422 . 1 1 94 94 GLY C C 13 173.791 0.013 2 1 . . . . . 94 G C . 18855 1
423 . 1 1 94 94 GLY CA C 13 44.858 0.046 3 1 . . . . . 94 G CA . 18855 1
424 . 1 1 94 94 GLY N N 15 109.825 0.100 12 1 . . . . . 94 G N . 18855 1
425 . 1 1 95 95 ASP H H 1 8.375 0.001 8 1 . . . . . 95 D HN . 18855 1
426 . 1 1 95 95 ASP C C 13 176.133 0.008 2 1 . . . . . 95 D C . 18855 1
427 . 1 1 95 95 ASP CA C 13 54.411 0.008 2 1 . . . . . 95 D CA . 18855 1
428 . 1 1 95 95 ASP CB C 13 40.757 0.050 3 1 . . . . . 95 D CB . 18855 1
429 . 1 1 95 95 ASP N N 15 120.765 0.018 10 1 . . . . . 95 D N . 18855 1
430 . 1 1 96 96 TYR H H 1 8.310 0.003 10 1 . . . . . 96 Y HN . 18855 1
431 . 1 1 96 96 TYR C C 13 175.661 0.029 2 1 . . . . . 96 Y C . 18855 1
432 . 1 1 96 96 TYR CA C 13 57.834 0.004 2 1 . . . . . 96 Y CA . 18855 1
433 . 1 1 96 96 TYR CB C 13 38.120 0.060 3 1 . . . . . 96 Y CB . 18855 1
434 . 1 1 96 96 TYR N N 15 120.401 0.076 12 1 . . . . . 96 Y N . 18855 1
435 . 1 1 97 97 LEU H H 1 8.393 0.001 10 1 . . . . . 97 L HN . 18855 1
436 . 1 1 97 97 LEU C C 13 176.868 0.001 2 1 . . . . . 97 L C . 18855 1
437 . 1 1 97 97 LEU CA C 13 54.548 0.086 3 1 . . . . . 97 L CA . 18855 1
438 . 1 1 97 97 LEU CB C 13 41.398 0.029 3 1 . . . . . 97 L CB . 18855 1
439 . 1 1 97 97 LEU N N 15 123.908 0.028 12 1 . . . . . 97 L N . 18855 1
440 . 1 1 98 98 MET H H 1 8.425 0.002 11 1 . . . . . 98 M HN . 18855 1
441 . 1 1 98 98 MET C C 13 175.851 0.006 2 1 . . . . . 98 M C . 18855 1
442 . 1 1 98 98 MET CA C 13 55.103 0.052 3 1 . . . . . 98 M CA . 18855 1
443 . 1 1 98 98 MET CB C 13 32.385 0.044 3 1 . . . . . 98 M CB . 18855 1
444 . 1 1 98 98 MET N N 15 121.209 0.031 13 1 . . . . . 98 M N . 18855 1
445 . 1 1 99 99 PHE H H 1 8.510 0.002 11 1 . . . . . 99 F HN . 18855 1
446 . 1 1 99 99 PHE C C 13 176.072 0.009 2 1 . . . . . 99 F C . 18855 1
447 . 1 1 99 99 PHE CA C 13 57.167 0.041 2 1 . . . . . 99 F CA . 18855 1
448 . 1 1 99 99 PHE CB C 13 39.263 0.012 2 1 . . . . . 99 F CB . 18855 1
449 . 1 1 99 99 PHE N N 15 120.508 0.039 13 1 . . . . . 99 F N . 18855 1
450 . 1 1 100 100 GLY H H 1 8.525 0.001 8 1 . . . . . 100 G HN . 18855 1
451 . 1 1 100 100 GLY C C 13 171.835 0.200 1 1 . . . . . 100 G C . 18855 1
452 . 1 1 100 100 GLY CA C 13 44.345 0.200 1 1 . . . . . 100 G CA . 18855 1
453 . 1 1 100 100 GLY N N 15 109.932 0.022 9 1 . . . . . 100 G N . 18855 1
454 . 1 1 101 101 PRO C C 13 177.231 0.200 1 1 . . . . . 101 P C . 18855 1
455 . 1 1 101 101 PRO CA C 13 63.070 0.144 2 1 . . . . . 101 P CA . 18855 1
456 . 1 1 101 101 PRO CB C 13 31.629 0.127 2 1 . . . . . 101 P CB . 18855 1
457 . 1 1 102 102 GLU H H 1 8.951 0.001 10 1 . . . . . 102 E HN . 18855 1
458 . 1 1 102 102 GLU C C 13 176.995 0.022 2 1 . . . . . 102 E C . 18855 1
459 . 1 1 102 102 GLU CA C 13 56.483 0.177 3 1 . . . . . 102 E CA . 18855 1
460 . 1 1 102 102 GLU CB C 13 29.350 0.064 3 1 . . . . . 102 E CB . 18855 1
461 . 1 1 102 102 GLU N N 15 120.783 0.021 12 1 . . . . . 102 E N . 18855 1
462 . 1 1 103 103 THR H H 1 8.388 0.001 14 1 . . . . . 103 T HN . 18855 1
463 . 1 1 103 103 THR C C 13 174.677 0.016 2 1 . . . . . 103 T C . 18855 1
464 . 1 1 103 103 THR CA C 13 61.718 0.170 3 1 . . . . . 103 T CA . 18855 1
465 . 1 1 103 103 THR CB C 13 69.511 0.092 3 1 . . . . . 103 T CB . 18855 1
466 . 1 1 103 103 THR N N 15 115.640 0.051 18 1 . . . . . 103 T N . 18855 1
467 . 1 1 104 104 ARG H H 1 8.635 0.003 12 1 . . . . . 104 R HN . 18855 1
468 . 1 1 104 104 ARG C C 13 176.749 0.032 2 1 . . . . . 104 R C . 18855 1
469 . 1 1 104 104 ARG CA C 13 55.983 0.047 4 1 . . . . . 104 R CA . 18855 1
470 . 1 1 104 104 ARG CB C 13 30.267 0.047 3 1 . . . . . 104 R CB . 18855 1
471 . 1 1 104 104 ARG N N 15 123.665 0.043 15 1 . . . . . 104 R N . 18855 1
472 . 1 1 105 105 GLY H H 1 8.607 0.002 11 1 . . . . . 105 G HN . 18855 1
473 . 1 1 105 105 GLY C C 13 173.700 0.131 2 1 . . . . . 105 G C . 18855 1
474 . 1 1 105 105 GLY CA C 13 44.861 0.115 3 1 . . . . . 105 G CA . 18855 1
475 . 1 1 105 105 GLY N N 15 110.031 0.064 12 1 . . . . . 105 G N . 18855 1
476 . 1 1 106 106 ILE H H 1 8.275 0.005 9 1 . . . . . 106 I HN . 18855 1
477 . 1 1 106 106 ILE C C 13 176.043 0.200 1 1 . . . . . 106 I C . 18855 1
478 . 1 1 106 106 ILE CA C 13 57.500 0.200 1 1 . . . . . 106 I CA . 18855 1
479 . 1 1 106 106 ILE CB C 13 39.068 0.200 1 1 . . . . . 106 I CB . 18855 1
480 . 1 1 106 106 ILE N N 15 120.327 0.044 9 1 . . . . . 106 I N . 18855 1
481 . 1 1 107 107 PRO C C 13 176.874 0.200 1 1 . . . . . 107 P C . 18855 1
482 . 1 1 107 107 PRO CA C 13 62.693 0.056 2 1 . . . . . 107 P CA . 18855 1
483 . 1 1 107 107 PRO CB C 13 31.399 0.066 2 1 . . . . . 107 P CB . 18855 1
484 . 1 1 108 108 MET H H 1 8.753 0.004 11 1 . . . . . 108 M HN . 18855 1
485 . 1 1 108 108 MET C C 13 176.601 0.022 2 1 . . . . . 108 M C . 18855 1
486 . 1 1 108 108 MET CA C 13 55.592 0.098 3 1 . . . . . 108 M CA . 18855 1
487 . 1 1 108 108 MET CB C 13 32.427 0.027 3 1 . . . . . 108 M CB . 18855 1
488 . 1 1 108 108 MET N N 15 121.599 0.016 13 1 . . . . . 108 M N . 18855 1
489 . 1 1 109 109 SER H H 1 8.648 0.002 12 1 . . . . . 109 S HN . 18855 1
490 . 1 1 109 109 SER C C 13 174.611 0.004 2 1 . . . . . 109 S C . 18855 1
491 . 1 1 109 109 SER CA C 13 58.072 0.087 2 1 . . . . . 109 S CA . 18855 1
492 . 1 1 109 109 SER CB C 13 63.212 0.030 2 1 . . . . . 109 S CB . 18855 1
493 . 1 1 109 109 SER N N 15 117.360 0.031 15 1 . . . . . 109 S N . 18855 1
494 . 1 1 110 110 ILE H H 1 8.438 0.003 11 1 . . . . . 110 I HN . 18855 1
495 . 1 1 110 110 ILE C C 13 176.327 0.012 2 1 . . . . . 110 I C . 18855 1
496 . 1 1 110 110 ILE CA C 13 60.894 0.125 3 1 . . . . . 110 I CA . 18855 1
497 . 1 1 110 110 ILE CB C 13 37.854 0.052 3 1 . . . . . 110 I CB . 18855 1
498 . 1 1 110 110 ILE N N 15 123.201 0.011 14 1 . . . . . 110 I N . 18855 1
499 . 1 1 111 111 LEU H H 1 8.474 0.002 12 1 . . . . . 111 L HN . 18855 1
500 . 1 1 111 111 LEU C C 13 177.150 0.010 2 1 . . . . . 111 L C . 18855 1
501 . 1 1 111 111 LEU CA C 13 54.871 0.163 3 1 . . . . . 111 L CA . 18855 1
502 . 1 1 111 111 LEU CB C 13 41.369 0.028 2 1 . . . . . 111 L CB . 18855 1
503 . 1 1 111 111 LEU N N 15 125.721 0.042 15 1 . . . . . 111 L N . 18855 1
504 . 1 1 112 112 ASN H H 1 8.683 0.001 12 1 . . . . . 112 N HN . 18855 1
505 . 1 1 112 112 ASN C C 13 175.103 0.001 2 1 . . . . . 112 N C . 18855 1
506 . 1 1 112 112 ASN CA C 13 52.852 0.071 2 1 . . . . . 112 N CA . 18855 1
507 . 1 1 112 112 ASN CB C 13 38.441 0.033 3 1 . . . . . 112 N CB . 18855 1
508 . 1 1 112 112 ASN N N 15 119.815 0.018 15 1 . . . . . 112 N N . 18855 1
509 . 1 1 113 113 GLU H H 1 8.500 0.002 11 1 . . . . . 113 E HN . 18855 1
510 . 1 1 113 113 GLU C C 13 176.296 0.002 2 1 . . . . . 113 E C . 18855 1
511 . 1 1 113 113 GLU CA C 13 56.115 0.068 2 1 . . . . . 113 E CA . 18855 1
512 . 1 1 113 113 GLU CB C 13 29.976 0.041 3 1 . . . . . 113 E CB . 18855 1
513 . 1 1 113 113 GLU N N 15 121.141 0.044 14 1 . . . . . 113 E N . 18855 1
514 . 1 1 114 114 MET H H 1 8.682 0.001 11 1 . . . . . 114 M HN . 18855 1
515 . 1 1 114 114 MET C C 13 174.265 0.200 1 1 . . . . . 114 M C . 18855 1
516 . 1 1 114 114 MET CA C 13 53.237 0.200 1 1 . . . . . 114 M CA . 18855 1
517 . 1 1 114 114 MET CB C 13 31.890 0.200 1 1 . . . . . 114 M CB . 18855 1
518 . 1 1 114 114 MET N N 15 122.810 0.016 13 1 . . . . . 114 M N . 18855 1
519 . 1 1 115 115 PRO C C 13 176.956 0.200 1 1 . . . . . 115 P C . 18855 1
520 . 1 1 115 115 PRO CA C 13 62.808 0.200 1 1 . . . . . 115 P CA . 18855 1
521 . 1 1 115 115 PRO CB C 13 31.470 0.200 1 1 . . . . . 115 P CB . 18855 1
522 . 1 1 116 116 MET H H 1 8.768 0.001 4 1 . . . . . 116 M HN . 18855 1
523 . 1 1 116 116 MET C C 13 176.539 0.200 1 1 . . . . . 116 M C . 18855 1
524 . 1 1 116 116 MET CA C 13 55.597 0.200 1 1 . . . . . 116 M CA . 18855 1
525 . 1 1 116 116 MET CB C 13 32.378 0.029 2 1 . . . . . 116 M CB . 18855 1
526 . 1 1 116 116 MET N N 15 121.622 0.013 4 1 . . . . . 116 M N . 18855 1
527 . 1 1 117 117 GLU H H 1 8.785 0.001 10 1 . . . . . 117 E HN . 18855 1
528 . 1 1 117 117 GLU C C 13 176.427 0.044 2 1 . . . . . 117 E C . 18855 1
529 . 1 1 117 117 GLU CA C 13 56.096 0.037 3 1 . . . . . 117 E CA . 18855 1
530 . 1 1 117 117 GLU CB C 13 29.763 0.035 3 1 . . . . . 117 E CB . 18855 1
531 . 1 1 117 117 GLU N N 15 122.646 0.026 11 1 . . . . . 117 E N . 18855 1
532 . 1 1 118 118 GLN H H 1 8.707 0.002 11 1 . . . . . 118 Q HN . 18855 1
533 . 1 1 118 118 GLN C C 13 175.993 0.001 2 1 . . . . . 118 Q C . 18855 1
534 . 1 1 118 118 GLN CA C 13 55.293 0.125 3 1 . . . . . 118 Q CA . 18855 1
535 . 1 1 118 118 GLN CB C 13 29.020 0.038 2 1 . . . . . 118 Q CB . 18855 1
536 . 1 1 118 118 GLN N N 15 122.324 0.034 11 1 . . . . . 118 Q N . 18855 1
537 . 1 1 119 119 LYS H H 1 8.638 0.002 10 1 . . . . . 119 K HN . 18855 1
538 . 1 1 119 119 LYS C C 13 176.627 0.031 2 1 . . . . . 119 K C . 18855 1
539 . 1 1 119 119 LYS CA C 13 56.145 0.049 2 1 . . . . . 119 K CA . 18855 1
540 . 1 1 119 119 LYS CB C 13 32.236 0.051 2 1 . . . . . 119 K CB . 18855 1
541 . 1 1 119 119 LYS N N 15 123.645 0.042 11 1 . . . . . 119 K N . 18855 1
542 . 1 1 120 120 ILE H H 1 8.533 0.001 9 1 . . . . . 120 I HN . 18855 1
543 . 1 1 120 120 ILE C C 13 176.147 0.200 1 1 . . . . . 120 I C . 18855 1
544 . 1 1 120 120 ILE CA C 13 60.657 0.032 2 1 . . . . . 120 I CA . 18855 1
545 . 1 1 120 120 ILE CB C 13 37.991 0.200 1 1 . . . . . 120 I CB . 18855 1
546 . 1 1 120 120 ILE N N 15 123.027 0.027 11 1 . . . . . 120 I N . 18855 1
547 . 1 1 121 121 ARG H H 1 8.730 0.009 4 1 . . . . . 121 R HN . 18855 1
548 . 1 1 121 121 ARG C C 13 176.044 0.200 1 1 . . . . . 121 R C . 18855 1
549 . 1 1 121 121 ARG CA C 13 55.331 0.200 1 1 . . . . . 121 R CA . 18855 1
550 . 1 1 121 121 ARG CB C 13 29.983 0.015 2 1 . . . . . 121 R CB . 18855 1
551 . 1 1 121 121 ARG N N 15 126.590 0.076 6 1 . . . . . 121 R N . 18855 1
552 . 1 1 122 122 ILE H H 1 8.620 0.001 9 1 . . . . . 122 I HN . 18855 1
553 . 1 1 122 122 ILE C C 13 174.636 0.200 1 1 . . . . . 122 I C . 18855 1
554 . 1 1 122 122 ILE CA C 13 58.309 0.200 1 1 . . . . . 122 I CA . 18855 1
555 . 1 1 122 122 ILE CB C 13 37.675 0.200 1 1 . . . . . 122 I CB . 18855 1
556 . 1 1 122 122 ILE N N 15 125.026 0.025 10 1 . . . . . 122 I N . 18855 1
557 . 1 1 124 124 MET H H 1 8.768 0.003 5 1 . . . . . 124 M HN . 18855 1
558 . 1 1 124 124 MET C C 13 176.620 0.048 2 1 . . . . . 124 M C . 18855 1
559 . 1 1 124 124 MET CA C 13 55.600 0.018 2 1 . . . . . 124 M CA . 18855 1
560 . 1 1 124 124 MET CB C 13 32.387 0.107 3 1 . . . . . 124 M CB . 18855 1
561 . 1 1 124 124 MET N N 15 121.618 0.016 6 1 . . . . . 124 M N . 18855 1
562 . 1 1 125 125 THR H H 1 8.402 0.001 11 1 . . . . . 125 T HN . 18855 1
563 . 1 1 125 125 THR C C 13 174.485 0.002 2 1 . . . . . 125 T C . 18855 1
564 . 1 1 125 125 THR CA C 13 61.350 0.031 3 1 . . . . . 125 T CA . 18855 1
565 . 1 1 125 125 THR CB C 13 69.728 0.008 3 1 . . . . . 125 T CB . 18855 1
566 . 1 1 125 125 THR N N 15 115.183 0.025 14 1 . . . . . 125 T N . 18855 1
567 . 1 1 126 126 ALA H H 1 8.612 0.002 11 1 . . . . . 126 A HN . 18855 1
568 . 1 1 126 126 ALA C C 13 177.570 0.200 1 1 . . . . . 126 A C . 18855 1
569 . 1 1 126 126 ALA CA C 13 52.530 0.042 3 1 . . . . . 126 A CA . 18855 1
570 . 1 1 126 126 ALA CB C 13 18.616 0.071 2 1 . . . . . 126 A CB . 18855 1
571 . 1 1 126 126 ALA N N 15 126.073 0.016 13 1 . . . . . 126 A N . 18855 1
572 . 1 1 127 127 ASN H H 1 8.643 0.001 9 1 . . . . . 127 N HN . 18855 1
573 . 1 1 127 127 ASN C C 13 175.570 0.009 3 1 . . . . . 127 N C . 18855 1
574 . 1 1 127 127 ASN CA C 13 52.966 0.114 3 1 . . . . . 127 N CA . 18855 1
575 . 1 1 127 127 ASN CB C 13 38.373 0.057 3 1 . . . . . 127 N CB . 18855 1
576 . 1 1 127 127 ASN N N 15 118.079 0.015 10 1 . . . . . 127 N N . 18855 1
577 . 1 1 128 128 SER H H 1 8.493 0.049 12 1 . . . . . 128 S HN . 18855 1
578 . 1 1 128 128 SER C C 13 174.729 0.010 2 1 . . . . . 128 S C . 18855 1
579 . 1 1 128 128 SER CA C 13 58.349 0.214 3 1 . . . . . 128 S CA . 18855 1
580 . 1 1 128 128 SER CB C 13 63.257 0.023 3 1 . . . . . 128 S CB . 18855 1
581 . 1 1 128 128 SER N N 15 116.596 0.047 12 1 . . . . . 128 S N . 18855 1
582 . 1 1 129 129 ARG H H 1 8.601 0.035 8 1 . . . . . 129 R HN . 18855 1
583 . 1 1 129 129 ARG C C 13 176.560 0.022 2 1 . . . . . 129 R C . 18855 1
584 . 1 1 129 129 ARG CA C 13 56.174 0.040 3 1 . . . . . 129 R CA . 18855 1
585 . 1 1 129 129 ARG CB C 13 29.803 0.135 3 1 . . . . . 129 R CB . 18855 1
586 . 1 1 129 129 ARG N N 15 122.723 0.095 9 1 . . . . . 129 R N . 18855 1
587 . 1 1 130 130 SER H H 1 8.548 0.008 14 1 . . . . . 130 S HN . 18855 1
588 . 1 1 130 130 SER C C 13 174.779 0.012 2 1 . . . . . 130 S C . 18855 1
589 . 1 1 130 130 SER CA C 13 58.288 0.032 2 1 . . . . . 130 S CA . 18855 1
590 . 1 1 130 130 SER CB C 13 63.212 0.018 2 1 . . . . . 130 S CB . 18855 1
591 . 1 1 130 130 SER N N 15 116.738 0.126 17 1 . . . . . 130 S N . 18855 1
592 . 1 1 131 131 MET H H 1 8.642 0.002 5 1 . . . . . 131 M HN . 18855 1
593 . 1 1 131 131 MET C C 13 175.905 0.004 2 1 . . . . . 131 M C . 18855 1
594 . 1 1 131 131 MET CA C 13 55.150 0.042 2 1 . . . . . 131 M CA . 18855 1
595 . 1 1 131 131 MET CB C 13 32.203 0.041 2 1 . . . . . 131 M CB . 18855 1
596 . 1 1 131 131 MET N N 15 122.428 0.113 7 1 . . . . . 131 M N . 18855 1
597 . 1 1 132 132 ASN H H 1 8.711 0.001 11 1 . . . . . 132 N HN . 18855 1
598 . 1 1 132 132 ASN C C 13 175.358 0.013 2 1 . . . . . 132 N C . 18855 1
599 . 1 1 132 132 ASN CA C 13 53.081 0.060 2 1 . . . . . 132 N CA . 18855 1
600 . 1 1 132 132 ASN CB C 13 38.214 0.033 3 1 . . . . . 132 N CB . 18855 1
601 . 1 1 132 132 ASN N N 15 120.074 0.027 13 1 . . . . . 132 N N . 18855 1
602 . 1 1 133 133 LEU H H 1 8.564 0.001 10 1 . . . . . 133 L HN . 18855 1
603 . 1 1 133 133 LEU C C 13 177.675 0.200 2 1 . . . . . 133 L C . 18855 1
604 . 1 1 133 133 LEU CA C 13 54.824 0.090 3 1 . . . . . 133 L CA . 18855 1
605 . 1 1 133 133 LEU CB C 13 41.388 0.061 3 1 . . . . . 133 L CB . 18855 1
606 . 1 1 133 133 LEU N N 15 123.298 0.028 12 1 . . . . . 133 L N . 18855 1
607 . 1 1 134 134 SER H H 1 8.578 0.001 12 1 . . . . . 134 S HN . 18855 1
608 . 1 1 134 134 SER C C 13 174.599 0.011 2 1 . . . . . 134 S C . 18855 1
609 . 1 1 134 134 SER CA C 13 58.369 0.019 3 1 . . . . . 134 S CA . 18855 1
610 . 1 1 134 134 SER CB C 13 63.222 0.044 3 1 . . . . . 134 S CB . 18855 1
611 . 1 1 134 134 SER N N 15 116.234 0.027 15 1 . . . . . 134 S N . 18855 1
612 . 1 1 135 135 ASN H H 1 8.664 0.002 11 1 . . . . . 135 N HN . 18855 1
613 . 1 1 135 135 ASN C C 13 175.322 0.017 2 1 . . . . . 135 N C . 18855 1
614 . 1 1 135 135 ASN CA C 13 53.025 0.092 3 1 . . . . . 135 N CA . 18855 1
615 . 1 1 135 135 ASN CB C 13 38.399 0.090 3 1 . . . . . 135 N CB . 18855 1
616 . 1 1 135 135 ASN N N 15 120.828 0.028 12 1 . . . . . 135 N N . 18855 1
617 . 1 1 136 136 SER H H 1 8.443 0.002 12 1 . . . . . 136 S HN . 18855 1
618 . 1 1 136 136 SER C C 13 174.486 0.001 2 1 . . . . . 136 S C . 18855 1
619 . 1 1 136 136 SER CA C 13 58.150 0.142 3 1 . . . . . 136 S CA . 18855 1
620 . 1 1 136 136 SER CB C 13 63.280 0.044 3 1 . . . . . 136 S CB . 18855 1
621 . 1 1 136 136 SER N N 15 116.049 0.016 15 1 . . . . . 136 S N . 18855 1
622 . 1 1 137 137 VAL H H 1 8.336 0.002 11 1 . . . . . 137 V HN . 18855 1
623 . 1 1 137 137 VAL C C 13 175.863 0.005 2 1 . . . . . 137 V C . 18855 1
624 . 1 1 137 137 VAL CA C 13 61.713 0.132 3 1 . . . . . 137 V CA . 18855 1
625 . 1 1 137 137 VAL CB C 13 32.120 0.016 3 1 . . . . . 137 V CB . 18855 1
626 . 1 1 137 137 VAL N N 15 121.699 0.081 13 1 . . . . . 137 V N . 18855 1
627 . 1 1 138 138 ALA H H 1 8.530 0.001 11 1 . . . . . 138 A HN . 18855 1
628 . 1 1 138 138 ALA C C 13 177.639 0.005 2 1 . . . . . 138 A C . 18855 1
629 . 1 1 138 138 ALA CA C 13 52.139 0.108 3 1 . . . . . 138 A CA . 18855 1
630 . 1 1 138 138 ALA CB C 13 18.569 0.081 3 1 . . . . . 138 A CB . 18855 1
631 . 1 1 138 138 ALA N N 15 127.814 0.024 13 1 . . . . . 138 A N . 18855 1
632 . 1 1 139 139 VAL H H 1 8.378 0.001 12 1 . . . . . 139 V HN . 18855 1
633 . 1 1 139 139 VAL C C 13 176.440 0.015 2 1 . . . . . 139 V C . 18855 1
634 . 1 1 139 139 VAL CA C 13 61.780 0.039 3 1 . . . . . 139 V CA . 18855 1
635 . 1 1 139 139 VAL CB C 13 32.203 0.025 4 1 . . . . . 139 V CB . 18855 1
636 . 1 1 139 139 VAL N N 15 120.169 0.029 15 1 . . . . . 139 V N . 18855 1
637 . 1 1 140 140 THR H H 1 8.487 0.001 14 1 . . . . . 140 T HN . 18855 1
638 . 1 1 140 140 THR C C 13 174.265 0.005 2 1 . . . . . 140 T C . 18855 1
639 . 1 1 140 140 THR CA C 13 61.764 0.118 4 1 . . . . . 140 T CA . 18855 1
640 . 1 1 140 140 THR CB C 13 69.545 0.088 3 1 . . . . . 140 T CB . 18855 1
641 . 1 1 140 140 THR N N 15 119.218 0.032 17 1 . . . . . 140 T N . 18855 1
642 . 1 1 141 141 VAL H H 1 8.434 0.002 10 1 . . . . . 141 V HN . 18855 1
643 . 1 1 141 141 VAL C C 13 175.769 0.017 2 1 . . . . . 141 V C . 18855 1
644 . 1 1 141 141 VAL CA C 13 61.668 0.033 3 1 . . . . . 141 V CA . 18855 1
645 . 1 1 141 141 VAL CB C 13 32.178 0.009 2 1 . . . . . 141 V CB . 18855 1
646 . 1 1 141 141 VAL N N 15 123.431 0.024 12 1 . . . . . 141 V N . 18855 1
647 . 1 1 142 142 TYR H H 1 8.549 0.002 10 1 . . . . . 142 Y HN . 18855 1
648 . 1 1 142 142 TYR C C 13 175.815 0.009 2 1 . . . . . 142 Y C . 18855 1
649 . 1 1 142 142 TYR CA C 13 57.708 0.200 1 1 . . . . . 142 Y CA . 18855 1
650 . 1 1 142 142 TYR CB C 13 38.477 0.230 2 1 . . . . . 142 Y CB . 18855 1
651 . 1 1 142 142 TYR N N 15 124.976 0.152 12 1 . . . . . 142 Y N . 18855 1
652 . 1 1 143 143 GLU H H 1 8.593 0.001 9 1 . . . . . 143 E HN . 18855 1
653 . 1 1 143 143 GLU C C 13 176.306 0.006 2 1 . . . . . 143 E C . 18855 1
654 . 1 1 143 143 GLU CA C 13 55.594 0.056 3 1 . . . . . 143 E CA . 18855 1
655 . 1 1 143 143 GLU CB C 13 29.554 0.103 3 1 . . . . . 143 E CB . 18855 1
656 . 1 1 143 143 GLU N N 15 123.726 0.031 11 1 . . . . . 143 E N . 18855 1
657 . 1 1 144 144 ALA H H 1 8.492 0.001 11 1 . . . . . 144 A HN . 18855 1
658 . 1 1 144 144 ALA C C 13 177.934 0.004 2 1 . . . . . 144 A C . 18855 1
659 . 1 1 144 144 ALA CA C 13 53.273 0.053 2 1 . . . . . 144 A CA . 18855 1
660 . 1 1 144 144 ALA CB C 13 18.154 0.059 2 1 . . . . . 144 A CB . 18855 1
661 . 1 1 144 144 ALA N N 15 125.507 0.026 12 1 . . . . . 144 A N . 18855 1
662 . 1 1 145 145 TRP H H 1 8.006 0.001 10 1 . . . . . 145 W HN . 18855 1
663 . 1 1 145 145 TRP C C 13 176.560 0.002 2 1 . . . . . 145 W C . 18855 1
664 . 1 1 145 145 TRP CA C 13 56.878 0.017 3 1 . . . . . 145 W CA . 18855 1
665 . 1 1 145 145 TRP CB C 13 28.255 0.044 3 1 . . . . . 145 W CB . 18855 1
666 . 1 1 145 145 TRP N N 15 117.915 0.014 13 1 . . . . . 145 W N . 18855 1
667 . 1 1 146 146 ARG H H 1 7.808 0.001 10 1 . . . . . 146 R HN . 18855 1
668 . 1 1 146 146 ARG C C 13 176.123 0.200 2 1 . . . . . 146 R C . 18855 1
669 . 1 1 146 146 ARG CA C 13 56.040 0.011 2 1 . . . . . 146 R CA . 18855 1
670 . 1 1 146 146 ARG CB C 13 29.924 0.006 3 1 . . . . . 146 R CB . 18855 1
671 . 1 1 146 146 ARG N N 15 122.329 0.021 11 1 . . . . . 146 R N . 18855 1
672 . 1 1 147 147 GLN H H 1 8.290 0.002 9 1 . . . . . 147 Q HN . 18855 1
673 . 1 1 147 147 GLN C C 13 176.286 0.026 2 1 . . . . . 147 Q C . 18855 1
674 . 1 1 147 147 GLN CA C 13 55.659 0.253 2 1 . . . . . 147 Q CA . 18855 1
675 . 1 1 147 147 GLN CB C 13 29.178 0.625 2 1 . . . . . 147 Q CB . 18855 1
676 . 1 1 147 147 GLN N N 15 120.794 0.013 9 1 . . . . . 147 Q N . 18855 1
677 . 1 1 148 148 LEU H H 1 8.493 0.001 8 1 . . . . . 148 L HN . 18855 1
678 . 1 1 148 148 LEU C C 13 177.996 0.019 2 1 . . . . . 148 L C . 18855 1
679 . 1 1 148 148 LEU CA C 13 55.192 0.113 2 1 . . . . . 148 L CA . 18855 1
680 . 1 1 148 148 LEU CB C 13 41.433 0.200 1 1 . . . . . 148 L CB . 18855 1
681 . 1 1 148 148 LEU N N 15 123.629 0.040 9 1 . . . . . 148 L N . 18855 1
682 . 1 1 149 149 GLY H H 1 8.594 0.001 7 1 . . . . . 149 G HN . 18855 1
683 . 1 1 149 149 GLY C C 13 173.820 0.035 2 1 . . . . . 149 G C . 18855 1
684 . 1 1 149 149 GLY CA C 13 44.854 0.018 2 1 . . . . . 149 G CA . 18855 1
685 . 1 1 149 149 GLY N N 15 109.497 0.034 10 1 . . . . . 149 G N . 18855 1
686 . 1 1 150 150 TYR H H 1 8.269 0.002 10 1 . . . . . 150 Y HN . 18855 1
687 . 1 1 150 150 TYR C C 13 176.007 0.001 2 1 . . . . . 150 Y C . 18855 1
688 . 1 1 150 150 TYR CA C 13 57.750 0.208 3 1 . . . . . 150 Y CA . 18855 1
689 . 1 1 150 150 TYR CB C 13 38.369 0.110 3 1 . . . . . 150 Y CB . 18855 1
690 . 1 1 150 150 TYR N N 15 120.794 0.022 13 1 . . . . . 150 Y N . 18855 1
691 . 1 1 151 151 LYS H H 1 8.593 0.002 11 1 . . . . . 151 K HN . 18855 1
692 . 1 1 151 151 LYS C C 13 176.488 0.002 2 1 . . . . . 151 K C . 18855 1
693 . 1 1 151 151 LYS CA C 13 56.095 0.020 3 1 . . . . . 151 K CA . 18855 1
694 . 1 1 151 151 LYS CB C 13 32.339 0.048 3 1 . . . . . 151 K CB . 18855 1
695 . 1 1 151 151 LYS N N 15 125.123 0.025 12 1 . . . . . 151 K N . 18855 1
696 . 1 1 152 152 GLY H H 1 7.829 0.001 11 1 . . . . . 152 G HN . 18855 1
697 . 1 1 152 152 GLY C C 13 173.348 0.006 2 1 . . . . . 152 G C . 18855 1
698 . 1 1 152 152 GLY CA C 13 44.647 0.001 2 1 . . . . . 152 G CA . 18855 1
699 . 1 1 152 152 GLY N N 15 109.277 0.015 14 1 . . . . . 152 G N . 18855 1
700 . 1 1 153 153 ALA H H 1 8.365 0.000 9 1 . . . . . 153 A HN . 18855 1
701 . 1 1 153 153 ALA C C 13 177.834 0.005 2 1 . . . . . 153 A C . 18855 1
702 . 1 1 153 153 ALA CA C 13 52.189 0.053 3 1 . . . . . 153 A CA . 18855 1
703 . 1 1 153 153 ALA CB C 13 18.885 0.133 3 1 . . . . . 153 A CB . 18855 1
704 . 1 1 153 153 ALA N N 15 123.556 0.014 11 1 . . . . . 153 A N . 18855 1
705 . 1 1 154 154 VAL H H 1 8.385 0.001 12 1 . . . . . 154 V HN . 18855 1
706 . 1 1 154 154 VAL C C 13 175.772 0.009 2 1 . . . . . 154 V C . 18855 1
707 . 1 1 154 154 VAL CA C 13 61.775 0.001 2 1 . . . . . 154 V CA . 18855 1
708 . 1 1 154 154 VAL CB C 13 32.249 0.098 2 1 . . . . . 154 V CB . 18855 1
709 . 1 1 154 154 VAL N N 15 119.270 0.013 14 1 . . . . . 154 V N . 18855 1
710 . 1 1 155 155 ASN H H 1 8.719 0.002 9 1 . . . . . 155 N HN . 18855 1
711 . 1 1 155 155 ASN C C 13 174.797 0.007 2 1 . . . . . 155 N C . 18855 1
712 . 1 1 155 155 ASN CA C 13 52.723 0.129 3 1 . . . . . 155 N CA . 18855 1
713 . 1 1 155 155 ASN CB C 13 38.447 0.051 3 1 . . . . . 155 N CB . 18855 1
714 . 1 1 155 155 ASN N N 15 122.625 0.028 10 1 . . . . . 155 N N . 18855 1
715 . 1 1 156 156 LEU H H 1 8.542 0.002 11 1 . . . . . 156 L HN . 18855 1
716 . 1 1 156 156 LEU C C 13 174.639 0.200 1 1 . . . . . 156 L C . 18855 1
717 . 1 1 156 156 LEU CA C 13 54.420 0.200 1 1 . . . . . 156 L CA . 18855 1
718 . 1 1 156 156 LEU N N 15 123.987 0.064 13 1 . . . . . 156 L N . 18855 1
719 . 1 1 157 157 PRO C C 13 176.651 0.200 1 1 . . . . . 157 P C . 18855 1
720 . 1 1 157 157 PRO CA C 13 62.735 0.200 1 1 . . . . . 157 P CA . 18855 1
721 . 1 1 157 157 PRO CB C 13 31.312 0.200 1 1 . . . . . 157 P CB . 18855 1
722 . 1 1 158 158 GLU H H 1 8.714 0.001 7 1 . . . . . 158 E HN . 18855 1
723 . 1 1 158 158 GLU C C 13 176.483 0.200 2 1 . . . . . 158 E C . 18855 1
724 . 1 1 158 158 GLU CA C 13 56.246 0.030 2 1 . . . . . 158 E CA . 18855 1
725 . 1 1 158 158 GLU CB C 13 29.970 0.086 2 1 . . . . . 158 E CB . 18855 1
726 . 1 1 158 158 GLU N N 15 121.688 0.050 7 1 . . . . . 158 E N . 18855 1
727 . 1 1 159 159 VAL H H 1 8.527 0.001 9 1 . . . . . 159 V HN . 18855 1
728 . 1 1 159 159 VAL C C 13 175.391 0.200 2 1 . . . . . 159 V C . 18855 1
729 . 1 1 159 159 VAL CA C 13 62.130 0.079 2 1 . . . . . 159 V CA . 18855 1
730 . 1 1 159 159 VAL CB C 13 31.979 0.064 2 1 . . . . . 159 V CB . 18855 1
731 . 1 1 159 159 VAL N N 15 123.257 0.040 10 1 . . . . . 159 V N . 18855 1
732 . 1 1 160 160 LYS H H 1 8.309 0.001 9 1 . . . . . 160 K HN . 18855 1
733 . 1 1 160 160 LYS C C 13 181.530 0.200 1 1 . . . . . 160 K C . 18855 1
734 . 1 1 160 160 LYS CA C 13 57.694 0.200 1 1 . . . . . 160 K CA . 18855 1
735 . 1 1 160 160 LYS CB C 13 33.077 0.200 1 1 . . . . . 160 K CB . 18855 1
736 . 1 1 160 160 LYS N N 15 131.057 0.022 11 1 . . . . . 160 K N . 18855 1
stop_
save_