Content for NMR-STAR saveframe, "assigned_chem_shift_list"
save_assigned_chem_shift_list
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list
_Assigned_chem_shift_list.Entry_ID 18827
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $CondSet1
_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/HMQC' . . isotropic 18827 1
2 '3D HNCA' . . isotropic 18827 1
3 '3D HNCACB' . . isotropic 18827 1
4 '3D HNCO' . . isotropic 18827 1
5 '3D HN(CO)CA' . . isotropic 18827 1
6 'HNcaCo (H[N[ca[CO]]])' . . isotropic 18827 1
7 '3D 1H-15N NOESY' . . isotropic 18827 1
8 'hbha_co_nh (H{[N]+[HA]})' . . isotropic 18827 1
9 '3D HCCH-COSY' . . isotropic 18827 1
10 '2D 1H-13C HSQC/HMQC' . . isotropic 18827 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 SER C C 13 173.783 0.01 . 1 . . 645 . . 0 SER C . 18827 1
2 . 1 1 2 2 SER CA C 13 58.177 0.02 . 1 . . 646 . . 0 SER CA . 18827 1
3 . 1 1 2 2 SER CB C 13 64.248 0.03 . 1 . . 647 . . 0 SER CB . 18827 1
4 . 1 1 3 3 MET H H 1 8.391 0.01 . 1 . . 53 . . 1 MET H . 18827 1
5 . 1 1 3 3 MET HA H 1 4.103 0.001 . 1 . . 545 . . 1 MET HA . 18827 1
6 . 1 1 3 3 MET C C 13 174.690 0.023 . 1 . . 264 . . 1 MET C . 18827 1
7 . 1 1 3 3 MET CA C 13 55.517 0.004 . 1 . . 263 . . 1 MET CA . 18827 1
8 . 1 1 3 3 MET CB C 13 33.117 0.03 . 1 . . 537 . . 1 MET CB . 18827 1
9 . 1 1 3 3 MET N N 15 122.595 0.084 . 1 . . 52 . . 1 MET N . 18827 1
10 . 1 1 4 4 LYS H H 1 8.157 0.002 . 1 . . 69 . . 2 LYS H . 18827 1
11 . 1 1 4 4 LYS HA H 1 4.443 0.0 . 1 . . 546 . . 2 LYS HA . 18827 1
12 . 1 1 4 4 LYS C C 13 174.756 0.002 . 1 . . 270 . . 2 LYS C . 18827 1
13 . 1 1 4 4 LYS CA C 13 55.207 0.061 . 1 . . 269 . . 2 LYS CA . 18827 1
14 . 1 1 4 4 LYS CB C 13 33.177 0.025 . 1 . . 536 . . 2 LYS CB . 18827 1
15 . 1 1 4 4 LYS N N 15 126.832 0.022 . 1 . . 68 . . 2 LYS N . 18827 1
16 . 1 1 5 5 TRP H H 1 8.514 0.006 . 1 . . 79 . . 3 TRP H . 18827 1
17 . 1 1 5 5 TRP C C 13 177.953 0.01 . 1 . . 412 . . 3 TRP C . 18827 1
18 . 1 1 5 5 TRP CA C 13 55.974 0.018 . 1 . . 413 . . 3 TRP CA . 18827 1
19 . 1 1 5 5 TRP CB C 13 29.530 0.03 . 1 . . 535 . . 3 TRP CB . 18827 1
20 . 1 1 5 5 TRP N N 15 125.504 0.032 . 1 . . 78 . . 3 TRP N . 18827 1
21 . 1 1 7 7 PHE C C 13 177.764 0.01 . 1 . . 414 . . 5 PHE C . 18827 1
22 . 1 1 7 7 PHE CA C 13 62.531 0.02 . 1 . . 375 . . 5 PHE CA . 18827 1
23 . 1 1 8 8 LYS H H 1 6.937 0.003 . 1 . . 101 . . 6 LYS H . 18827 1
24 . 1 1 8 8 LYS HA H 1 4.091 0.0 . 1 . . 547 . . 6 LYS HA . 18827 1
25 . 1 1 8 8 LYS C C 13 177.236 0.008 . 1 . . 415 . . 6 LYS C . 18827 1
26 . 1 1 8 8 LYS CA C 13 59.051 0.029 . 1 . . 384 . . 6 LYS CA . 18827 1
27 . 1 1 8 8 LYS N N 15 110.626 0.022 . 1 . . 100 . . 6 LYS N . 18827 1
28 . 1 1 9 9 GLU H H 1 7.694 0.002 . 1 . . 135 . . 7 GLU H . 18827 1
29 . 1 1 9 9 GLU HA H 1 4.054 0.0 . 1 . . 548 . . 7 GLU HA . 18827 1
30 . 1 1 9 9 GLU C C 13 178.571 0.021 . 1 . . 293 . . 7 GLU C . 18827 1
31 . 1 1 9 9 GLU CA C 13 57.774 0.028 . 1 . . 294 . . 7 GLU CA . 18827 1
32 . 1 1 9 9 GLU CB C 13 29.836 0.016 . 1 . . 534 . . 7 GLU CB . 18827 1
33 . 1 1 9 9 GLU N N 15 118.087 0.029 . 1 . . 134 . . 7 GLU N . 18827 1
34 . 1 1 10 10 ASP H H 1 8.064 0.004 . 1 . . 109 . . 8 ASP H . 18827 1
35 . 1 1 10 10 ASP HA H 1 4.226 0.0 . 1 . . 549 . . 8 ASP HA . 18827 1
36 . 1 1 10 10 ASP C C 13 175.734 0.009 . 1 . . 299 . . 8 ASP C . 18827 1
37 . 1 1 10 10 ASP CA C 13 55.481 0.026 . 1 . . 300 . . 8 ASP CA . 18827 1
38 . 1 1 10 10 ASP CB C 13 41.350 0.03 . 1 . . 533 . . 8 ASP CB . 18827 1
39 . 1 1 10 10 ASP N N 15 117.084 0.024 . 1 . . 108 . . 8 ASP N . 18827 1
40 . 1 1 11 11 HIS H H 1 6.959 0.007 . 1 . . 115 . . 9 HIS H . 18827 1
41 . 1 1 11 11 HIS C C 13 174.289 0.015 . 1 . . 313 . . 9 HIS C . 18827 1
42 . 1 1 11 11 HIS CA C 13 53.917 0.025 . 1 . . 314 . . 9 HIS CA . 18827 1
43 . 1 1 11 11 HIS CB C 13 32.545 0.03 . 1 . . 532 . . 9 HIS CB . 18827 1
44 . 1 1 11 11 HIS N N 15 114.824 0.052 . 1 . . 114 . . 9 HIS N . 18827 1
45 . 1 1 12 12 SER H H 1 9.167 0.005 . 1 . . 133 . . 10 SER H . 18827 1
46 . 1 1 12 12 SER HA H 1 4.414 0.0 . 1 . . 550 . . 10 SER HA . 18827 1
47 . 1 1 12 12 SER C C 13 174.168 0.019 . 1 . . 416 . . 10 SER C . 18827 1
48 . 1 1 12 12 SER CA C 13 57.897 0.038 . 1 . . 377 . . 10 SER CA . 18827 1
49 . 1 1 12 12 SER N N 15 121.956 0.03 . 1 . . 132 . . 10 SER N . 18827 1
50 . 1 1 13 13 LEU H H 1 8.955 0.004 . 1 . . 127 . . 11 LEU H . 18827 1
51 . 1 1 13 13 LEU HA H 1 4.037 0.0 . 1 . . 551 . . 11 LEU HA . 18827 1
52 . 1 1 13 13 LEU C C 13 178.591 0.019 . 1 . . 325 . . 11 LEU C . 18827 1
53 . 1 1 13 13 LEU CA C 13 58.948 0.016 . 1 . . 326 . . 11 LEU CA . 18827 1
54 . 1 1 13 13 LEU CB C 13 41.734 0.016 . 1 . . 531 . . 11 LEU CB . 18827 1
55 . 1 1 13 13 LEU N N 15 124.138 0.029 . 1 . . 126 . . 11 LEU N . 18827 1
56 . 1 1 14 14 GLU H H 1 8.911 0.006 . 1 . . 147 . . 12 GLU H . 18827 1
57 . 1 1 14 14 GLU HA H 1 3.997 0.0 . 1 . . 552 . . 12 GLU HA . 18827 1
58 . 1 1 14 14 GLU C C 13 178.655 0.029 . 1 . . 400 . . 12 GLU C . 18827 1
59 . 1 1 14 14 GLU CA C 13 60.360 0.021 . 1 . . 385 . . 12 GLU CA . 18827 1
60 . 1 1 14 14 GLU CB C 13 29.211 0.03 . 1 . . 530 . . 12 GLU CB . 18827 1
61 . 1 1 14 14 GLU N N 15 117.881 0.023 . 1 . . 146 . . 12 GLU N . 18827 1
62 . 1 1 15 15 HIS H H 1 7.919 0.006 . 1 . . 36 . . 13 HIS H . 18827 1
63 . 1 1 15 15 HIS HA H 1 4.222 0.0 . 1 . . 553 . . 13 HIS HA . 18827 1
64 . 1 1 15 15 HIS C C 13 178.681 0.016 . 1 . . 397 . . 13 HIS C . 18827 1
65 . 1 1 15 15 HIS CA C 13 59.526 0.008 . 1 . . 374 . . 13 HIS CA . 18827 1
66 . 1 1 15 15 HIS CB C 13 30.376 0.03 . 1 . . 529 . . 13 HIS CB . 18827 1
67 . 1 1 15 15 HIS N N 15 118.484 0.018 . 1 . . 35 . . 13 HIS N . 18827 1
68 . 1 1 16 16 ARG H H 1 8.787 0.002 . 1 . . 149 . . 14 ARG H . 18827 1
69 . 1 1 16 16 ARG C C 13 177.311 0.014 . 1 . . 287 . . 14 ARG C . 18827 1
70 . 1 1 16 16 ARG CA C 13 61.850 0.013 . 1 . . 288 . . 14 ARG CA . 18827 1
71 . 1 1 16 16 ARG N N 15 120.801 0.03 . 1 . . 148 . . 14 ARG N . 18827 1
72 . 1 1 17 17 CYS H H 1 8.744 0.004 . 1 . . 99 . . 15 CYS H . 18827 1
73 . 1 1 17 17 CYS HA H 1 4.557 0.0 . 1 . . 554 . . 15 CYS HA . 18827 1
74 . 1 1 17 17 CYS C C 13 178.246 0.003 . 1 . . 274 . . 15 CYS C . 18827 1
75 . 1 1 17 17 CYS CA C 13 63.064 0.016 . 1 . . 273 . . 15 CYS CA . 18827 1
76 . 1 1 17 17 CYS CB C 13 27.257 0.029 . 1 . . 528 . . 15 CYS CB . 18827 1
77 . 1 1 17 17 CYS N N 15 115.634 0.057 . 1 . . 98 . . 15 CYS N . 18827 1
78 . 1 1 18 18 VAL H H 1 7.804 0.006 . 1 . . 83 . . 16 VAL H . 18827 1
79 . 1 1 18 18 VAL HA H 1 3.681 0.0 . 1 . . 555 . . 16 VAL HA . 18827 1
80 . 1 1 18 18 VAL C C 13 178.388 0.015 . 1 . . 399 . . 16 VAL C . 18827 1
81 . 1 1 18 18 VAL CA C 13 66.127 0.023 . 1 . . 370 . . 16 VAL CA . 18827 1
82 . 1 1 18 18 VAL CB C 13 32.031 0.002 . 1 . . 527 . . 16 VAL CB . 18827 1
83 . 1 1 18 18 VAL N N 15 119.687 0.024 . 1 . . 82 . . 16 VAL N . 18827 1
84 . 1 1 19 19 GLU H H 1 8.246 0.003 . 1 . . 32 . . 17 GLU H . 18827 1
85 . 1 1 19 19 GLU HA H 1 4.018 0.0 . 1 . . 556 . . 17 GLU HA . 18827 1
86 . 1 1 19 19 GLU C C 13 179.425 0.006 . 1 . . 352 . . 17 GLU C . 18827 1
87 . 1 1 19 19 GLU CA C 13 59.784 0.008 . 1 . . 351 . . 17 GLU CA . 18827 1
88 . 1 1 19 19 GLU CB C 13 29.652 0.072 . 1 . . 526 . . 17 GLU CB . 18827 1
89 . 1 1 19 19 GLU N N 15 120.676 0.026 . 1 . . 31 . . 17 GLU N . 18827 1
90 . 1 1 20 20 SER H H 1 8.915 0.005 . 1 . . 190 . . 18 SER H . 18827 1
91 . 1 1 20 20 SER HA H 1 3.360 0.0 . 1 . . 557 . . 18 SER HA . 18827 1
92 . 1 1 20 20 SER C C 13 176.922 0.001 . 1 . . 316 . . 18 SER C . 18827 1
93 . 1 1 20 20 SER CA C 13 61.642 0.027 . 1 . . 315 . . 18 SER CA . 18827 1
94 . 1 1 20 20 SER CB C 13 59.647 0.078 . 1 . . 525 . . 18 SER CB . 18827 1
95 . 1 1 20 20 SER N N 15 116.066 0.023 . 1 . . 189 . . 18 SER N . 18827 1
96 . 1 1 21 21 ALA H H 1 7.533 0.004 . 1 . . 137 . . 19 ALA H . 18827 1
97 . 1 1 21 21 ALA HA H 1 4.031 0.0 . 1 . . 558 . . 19 ALA HA . 18827 1
98 . 1 1 21 21 ALA C C 13 181.136 0.002 . 1 . . 285 . . 19 ALA C . 18827 1
99 . 1 1 21 21 ALA CA C 13 55.249 0.016 . 1 . . 286 . . 19 ALA CA . 18827 1
100 . 1 1 21 21 ALA CB C 13 18.121 0.005 . 1 . . 630 . . 19 ALA CB . 18827 1
101 . 1 1 21 21 ALA N N 15 125.680 0.047 . 1 . . 136 . . 19 ALA N . 18827 1
102 . 1 1 22 22 LYS H H 1 8.067 0.003 . 1 . . 97 . . 20 LYS H . 18827 1
103 . 1 1 22 22 LYS HA H 1 3.983 0.0 . 1 . . 559 . . 20 LYS HA . 18827 1
104 . 1 1 22 22 LYS C C 13 179.863 0.007 . 1 . . 302 . . 20 LYS C . 18827 1
105 . 1 1 22 22 LYS CA C 13 59.658 0.013 . 1 . . 301 . . 20 LYS CA . 18827 1
106 . 1 1 22 22 LYS CB C 13 32.613 0.01 . 1 . . 524 . . 20 LYS CB . 18827 1
107 . 1 1 22 22 LYS N N 15 119.969 0.027 . 1 . . 96 . . 20 LYS N . 18827 1
108 . 1 1 23 23 ILE H H 1 8.031 0.005 . 1 . . 119 . . 21 ILE H . 18827 1
109 . 1 1 23 23 ILE HA H 1 3.737 0.0 . 1 . . 560 . . 21 ILE HA . 18827 1
110 . 1 1 23 23 ILE C C 13 177.678 0.003 . 1 . . 243 . . 21 ILE C . 18827 1
111 . 1 1 23 23 ILE CA C 13 65.165 0.008 . 1 . . 244 . . 21 ILE CA . 18827 1
112 . 1 1 23 23 ILE CB C 13 38.507 0.03 . 1 . . 523 . . 21 ILE CB . 18827 1
113 . 1 1 23 23 ILE N N 15 120.892 0.035 . 1 . . 118 . . 21 ILE N . 18827 1
114 . 1 1 24 24 ARG H H 1 8.184 0.002 . 1 . . 47 . . 22 ARG H . 18827 1
115 . 1 1 24 24 ARG HA H 1 4.008 0.0 . 1 . . 561 . . 22 ARG HA . 18827 1
116 . 1 1 24 24 ARG C C 13 178.225 0.01 . 1 . . 241 . . 22 ARG C . 18827 1
117 . 1 1 24 24 ARG CA C 13 57.413 0.009 . 1 . . 242 . . 22 ARG CA . 18827 1
118 . 1 1 24 24 ARG CB C 13 29.060 0.0 . 1 . . 522 . . 22 ARG CB . 18827 1
119 . 1 1 24 24 ARG N N 15 118.394 0.035 . 1 . . 46 . . 22 ARG N . 18827 1
120 . 1 1 25 25 ALA H H 1 7.566 0.002 . 1 . . 188 . . 23 ALA H . 18827 1
121 . 1 1 25 25 ALA HA H 1 4.069 0.0 . 1 . . 562 . . 23 ALA HA . 18827 1
122 . 1 1 25 25 ALA C C 13 179.138 0.006 . 1 . . 343 . . 23 ALA C . 18827 1
123 . 1 1 25 25 ALA CA C 13 53.936 0.009 . 1 . . 344 . . 23 ALA CA . 18827 1
124 . 1 1 25 25 ALA CB C 13 18.578 0.039 . 1 . . 521 . . 23 ALA CB . 18827 1
125 . 1 1 25 25 ALA N N 15 118.727 0.028 . 1 . . 45 . . 23 ALA N . 18827 1
126 . 1 1 26 26 LYS H H 1 7.431 0.006 . 1 . . 175 . . 24 LYS H . 18827 1
127 . 1 1 26 26 LYS HA H 1 3.857 0.0 . 1 . . 563 . . 24 LYS HA . 18827 1
128 . 1 1 26 26 LYS C C 13 176.254 0.002 . 1 . . 237 . . 24 LYS C . 18827 1
129 . 1 1 26 26 LYS CA C 13 57.892 0.019 . 1 . . 238 . . 24 LYS CA . 18827 1
130 . 1 1 26 26 LYS CB C 13 33.734 0.038 . 1 . . 520 . . 24 LYS CB . 18827 1
131 . 1 1 26 26 LYS N N 15 117.587 0.02 . 1 . . 174 . . 24 LYS N . 18827 1
132 . 1 1 27 27 TYR H H 1 8.234 0.003 . 1 . . 42 . . 25 TYR H . 18827 1
133 . 1 1 27 27 TYR C C 13 172.750 0.01 . 1 . . 436 . . 25 TYR C . 18827 1
134 . 1 1 27 27 TYR CA C 13 53.904 0.003 . 1 . . 437 . . 25 TYR CA . 18827 1
135 . 1 1 27 27 TYR CB C 13 38.338 0.03 . 1 . . 519 . . 25 TYR CB . 18827 1
136 . 1 1 27 27 TYR N N 15 116.013 0.02 . 1 . . 41 . . 25 TYR N . 18827 1
137 . 1 1 28 28 PRO HA H 1 4.503 0.0 . 1 . . 564 . . 26 PRO HA . 18827 1
138 . 1 1 28 28 PRO C C 13 176.868 0.0 . 1 . . 411 . . 26 PRO C . 18827 1
139 . 1 1 28 28 PRO CA C 13 64.641 0.018 . 1 . . 369 . . 26 PRO CA . 18827 1
140 . 1 1 28 28 PRO CB C 13 31.952 0.03 . 1 . . 518 . . 26 PRO CB . 18827 1
141 . 1 1 29 29 ASP H H 1 8.621 0.003 . 1 . . 73 . . 27 ASP H . 18827 1
142 . 1 1 29 29 ASP HA H 1 4.627 0.0 . 1 . . 565 . . 27 ASP HA . 18827 1
143 . 1 1 29 29 ASP C C 13 175.634 0.016 . 1 . . 283 . . 27 ASP C . 18827 1
144 . 1 1 29 29 ASP CA C 13 53.082 0.046 . 1 . . 284 . . 27 ASP CA . 18827 1
145 . 1 1 29 29 ASP CB C 13 40.353 0.011 . 1 . . 517 . . 27 ASP CB . 18827 1
146 . 1 1 29 29 ASP N N 15 114.979 0.025 . 1 . . 72 . . 27 ASP N . 18827 1
147 . 1 1 30 30 ARG H H 1 7.793 0.006 . 1 . . 95 . . 28 ARG H . 18827 1
148 . 1 1 30 30 ARG HA H 1 4.907 0.0 . 1 . . 566 . . 28 ARG HA . 18827 1
149 . 1 1 30 30 ARG C C 13 174.542 0.003 . 1 . . 245 . . 28 ARG C . 18827 1
150 . 1 1 30 30 ARG CA C 13 53.822 0.022 . 1 . . 246 . . 28 ARG CA . 18827 1
151 . 1 1 30 30 ARG CB C 13 33.715 0.03 . 1 . . 516 . . 28 ARG CB . 18827 1
152 . 1 1 30 30 ARG N N 15 118.576 0.033 . 1 . . 94 . . 28 ARG N . 18827 1
153 . 1 1 31 31 VAL H H 1 9.123 0.003 . 1 . . 49 . . 29 VAL H . 18827 1
154 . 1 1 31 31 VAL C C 13 173.533 0.01 . 1 . . 418 . . 29 VAL C . 18827 1
155 . 1 1 31 31 VAL CA C 13 57.276 0.021 . 1 . . 417 . . 29 VAL CA . 18827 1
156 . 1 1 31 31 VAL CB C 13 33.587 0.03 . 1 . . 515 . . 29 VAL CB . 18827 1
157 . 1 1 31 31 VAL N N 15 116.934 0.043 . 1 . . 48 . . 29 VAL N . 18827 1
158 . 1 1 32 32 PRO HA H 1 5.032 0.0 . 1 . . 567 . . 30 PRO HA . 18827 1
159 . 1 1 32 32 PRO C C 13 174.542 0.005 . 1 . . 410 . . 30 PRO C . 18827 1
160 . 1 1 32 32 PRO CA C 13 61.123 0.006 . 1 . . 381 . . 30 PRO CA . 18827 1
161 . 1 1 32 32 PRO CB C 13 31.245 0.03 . 1 . . 514 . . 30 PRO CB . 18827 1
162 . 1 1 33 33 VAL H H 1 8.945 0.007 . 1 . . 30 . . 31 VAL H . 18827 1
163 . 1 1 33 33 VAL HA H 1 4.998 0.0 . 1 . . 568 . . 31 VAL HA . 18827 1
164 . 1 1 33 33 VAL C C 13 173.889 0.005 . 1 . . 333 . . 31 VAL C . 18827 1
165 . 1 1 33 33 VAL CA C 13 60.110 0.011 . 1 . . 334 . . 31 VAL CA . 18827 1
166 . 1 1 33 33 VAL CB C 13 35.792 0.03 . 1 . . 513 . . 31 VAL CB . 18827 1
167 . 1 1 33 33 VAL N N 15 125.728 0.03 . 1 . . 29 . . 31 VAL N . 18827 1
168 . 1 1 34 34 ILE H H 1 8.922 0.005 . 1 . . 159 . . 32 ILE H . 18827 1
169 . 1 1 34 34 ILE HA H 1 4.861 0.0 . 1 . . 569 . . 32 ILE HA . 18827 1
170 . 1 1 34 34 ILE C C 13 174.800 0.01 . 1 . . 289 . . 32 ILE C . 18827 1
171 . 1 1 34 34 ILE CA C 13 56.480 0.016 . 1 . . 290 . . 32 ILE CA . 18827 1
172 . 1 1 34 34 ILE CB C 13 36.479 0.03 . 1 . . 512 . . 32 ILE CB . 18827 1
173 . 1 1 34 34 ILE N N 15 129.027 0.043 . 1 . . 158 . . 32 ILE N . 18827 1
174 . 1 1 35 35 VAL H H 1 9.071 0.004 . 1 . . 103 . . 33 VAL H . 18827 1
175 . 1 1 35 35 VAL C C 13 175.717 0.008 . 1 . . 230 . . 33 VAL C . 18827 1
176 . 1 1 35 35 VAL CA C 13 60.249 0.055 . 1 . . 229 . . 33 VAL CA . 18827 1
177 . 1 1 35 35 VAL CB C 13 34.648 0.03 . 1 . . 511 . . 33 VAL CB . 18827 1
178 . 1 1 35 35 VAL N N 15 126.508 0.045 . 1 . . 102 . . 33 VAL N . 18827 1
179 . 1 1 36 36 GLU H H 1 8.456 0.008 . 1 . . 28 . . 34 GLU H . 18827 1
180 . 1 1 36 36 GLU HA H 1 4.900 0.0 . 1 . . 570 . . 34 GLU HA . 18827 1
181 . 1 1 36 36 GLU C C 13 174.670 0.002 . 1 . . 209 . . 34 GLU C . 18827 1
182 . 1 1 36 36 GLU CA C 13 55.023 0.008 . 1 . . 210 . . 34 GLU CA . 18827 1
183 . 1 1 36 36 GLU CB C 13 34.991 0.031 . 1 . . 510 . . 34 GLU CB . 18827 1
184 . 1 1 36 36 GLU N N 15 121.574 0.071 . 1 . . 27 . . 34 GLU N . 18827 1
185 . 1 1 37 37 LYS H H 1 8.816 0.003 . 1 . . 4 . . 35 LYS H . 18827 1
186 . 1 1 37 37 LYS HA H 1 3.499 0.0 . 1 . . 571 . . 35 LYS HA . 18827 1
187 . 1 1 37 37 LYS C C 13 177.128 0.001 . 1 . . 267 . . 35 LYS C . 18827 1
188 . 1 1 37 37 LYS CA C 13 55.609 0.009 . 1 . . 268 . . 35 LYS CA . 18827 1
189 . 1 1 37 37 LYS CB C 13 33.199 0.002 . 1 . . 508 . . 35 LYS CB . 18827 1
190 . 1 1 37 37 LYS N N 15 122.575 0.032 . 1 . . 3 . . 35 LYS N . 18827 1
191 . 1 1 38 38 VAL H H 1 8.368 0.005 . 1 . . 75 . . 36 VAL H . 18827 1
192 . 1 1 38 38 VAL C C 13 177.199 0.01 . 1 . . 509 . . 36 VAL C . 18827 1
193 . 1 1 38 38 VAL CA C 13 64.034 0.005 . 1 . . 419 . . 36 VAL CA . 18827 1
194 . 1 1 38 38 VAL CB C 13 32.326 0.03 . 1 . . 507 . . 36 VAL CB . 18827 1
195 . 1 1 38 38 VAL N N 15 124.790 0.024 . 1 . . 74 . . 36 VAL N . 18827 1
196 . 1 1 40 40 GLY HA2 H 1 3.715 0.0 . 2 . . 636 . . 38 GLY HA2 . 18827 1
197 . 1 1 40 40 GLY HA3 H 1 4.117 . . 2 . . 635 . . 38 GLY HA3 . 18827 1
198 . 1 1 40 40 GLY C C 13 174.614 0.005 . 1 . . 420 . . 38 GLY C . 18827 1
199 . 1 1 40 40 GLY CA C 13 45.191 0.029 . 1 . . 380 . . 38 GLY CA . 18827 1
200 . 1 1 41 41 SER H H 1 7.784 0.006 . 1 . . 117 . . 39 SER H . 18827 1
201 . 1 1 41 41 SER HA H 1 4.386 0.001 . 1 . . 572 . . 39 SER HA . 18827 1
202 . 1 1 41 41 SER C C 13 175.766 0.001 . 1 . . 331 . . 39 SER C . 18827 1
203 . 1 1 41 41 SER CA C 13 58.520 0.008 . 1 . . 332 . . 39 SER CA . 18827 1
204 . 1 1 41 41 SER CB C 13 63.999 0.036 . 1 . . 506 . . 39 SER CB . 18827 1
205 . 1 1 41 41 SER N N 15 114.805 0.057 . 1 . . 116 . . 39 SER N . 18827 1
206 . 1 1 42 42 GLN H H 1 8.885 0.004 . 1 . . 155 . . 40 GLN H . 18827 1
207 . 1 1 42 42 GLN HA H 1 4.346 0.0 . 1 . . 573 . . 40 GLN HA . 18827 1
208 . 1 1 42 42 GLN C C 13 175.493 0.009 . 1 . . 319 . . 40 GLN C . 18827 1
209 . 1 1 42 42 GLN CA C 13 55.764 0.022 . 1 . . 320 . . 40 GLN CA . 18827 1
210 . 1 1 42 42 GLN CB C 13 28.205 0.027 . 1 . . 505 . . 40 GLN CB . 18827 1
211 . 1 1 42 42 GLN N N 15 125.019 0.024 . 1 . . 154 . . 40 GLN N . 18827 1
212 . 1 1 43 43 ILE H H 1 7.691 0.004 . 1 . . 141 . . 41 ILE H . 18827 1
213 . 1 1 43 43 ILE C C 13 172.610 0.01 . 1 . . 360 . . 41 ILE C . 18827 1
214 . 1 1 43 43 ILE CA C 13 61.070 0.019 . 1 . . 359 . . 41 ILE CA . 18827 1
215 . 1 1 43 43 ILE CB C 13 40.011 0.03 . 1 . . 504 . . 41 ILE CB . 18827 1
216 . 1 1 43 43 ILE N N 15 122.387 0.024 . 1 . . 140 . . 41 ILE N . 18827 1
217 . 1 1 44 44 VAL H H 1 7.312 0.008 . 1 . . 198 . . 42 VAL H . 18827 1
218 . 1 1 44 44 VAL HA H 1 3.992 0.0 . 1 . . 574 . . 42 VAL HA . 18827 1
219 . 1 1 44 44 VAL C C 13 174.969 0.005 . 1 . . 254 . . 42 VAL C . 18827 1
220 . 1 1 44 44 VAL CA C 13 62.864 0.022 . 1 . . 253 . . 42 VAL CA . 18827 1
221 . 1 1 44 44 VAL CB C 13 32.880 0.004 . 1 . . 503 . . 42 VAL CB . 18827 1
222 . 1 1 44 44 VAL N N 15 121.972 0.023 . 1 . . 197 . . 42 VAL N . 18827 1
223 . 1 1 45 45 ASP H H 1 8.177 0.011 . 1 . . 59 . . 43 ASP H . 18827 1
224 . 1 1 45 45 ASP HA H 1 4.667 0.0 . 1 . . 575 . . 43 ASP HA . 18827 1
225 . 1 1 45 45 ASP C C 13 174.357 0.014 . 1 . . 394 . . 43 ASP C . 18827 1
226 . 1 1 45 45 ASP CA C 13 54.050 0.015 . 1 . . 393 . . 43 ASP CA . 18827 1
227 . 1 1 45 45 ASP CB C 13 42.415 0.0 . 1 . . 502 . . 43 ASP CB . 18827 1
228 . 1 1 45 45 ASP N N 15 122.742 0.079 . 1 . . 58 . . 43 ASP N . 18827 1
229 . 1 1 46 46 ILE H H 1 8.463 0.006 . 1 . . 392 . . 44 ILE H . 18827 1
230 . 1 1 46 46 ILE C C 13 174.702 0.005 . 1 . . 421 . . 44 ILE C . 18827 1
231 . 1 1 46 46 ILE CA C 13 60.622 0.02 . 1 . . 378 . . 44 ILE CA . 18827 1
232 . 1 1 46 46 ILE CB C 13 41.083 0.051 . 1 . . 501 . . 44 ILE CB . 18827 1
233 . 1 1 46 46 ILE N N 15 122.626 0.055 . 1 . . 391 . . 44 ILE N . 18827 1
234 . 1 1 47 47 ASP H H 1 8.494 0.006 . 1 . . 8 . . 45 ASP H . 18827 1
235 . 1 1 47 47 ASP C C 13 175.418 0.01 . 1 . . 423 . . 45 ASP C . 18827 1
236 . 1 1 47 47 ASP CA C 13 54.970 0.0 . 1 . . 422 . . 45 ASP CA . 18827 1
237 . 1 1 47 47 ASP CB C 13 40.396 0.03 . 1 . . 500 . . 45 ASP CB . 18827 1
238 . 1 1 47 47 ASP N N 15 124.104 0.051 . 1 . . 7 . . 45 ASP N . 18827 1
239 . 1 1 49 49 ARG HA H 1 5.049 0.0 . 1 . . 576 . . 47 ARG HA . 18827 1
240 . 1 1 49 49 ARG C C 13 173.967 0.018 . 1 . . 424 . . 47 ARG C . 18827 1
241 . 1 1 49 49 ARG CA C 13 56.315 0.04 . 1 . . 379 . . 47 ARG CA . 18827 1
242 . 1 1 50 50 LYS H H 1 7.123 0.006 . 1 . . 202 . . 48 LYS H . 18827 1
243 . 1 1 50 50 LYS HA H 1 5.032 0.0 . 1 . . 577 . . 48 LYS HA . 18827 1
244 . 1 1 50 50 LYS C C 13 174.845 0.008 . 1 . . 425 . . 48 LYS C . 18827 1
245 . 1 1 50 50 LYS CA C 13 55.113 0.01 . 1 . . 426 . . 48 LYS CA . 18827 1
246 . 1 1 50 50 LYS CB C 13 34.297 0.007 . 1 . . 499 . . 48 LYS CB . 18827 1
247 . 1 1 50 50 LYS N N 15 118.979 0.017 . 1 . . 201 . . 48 LYS N . 18827 1
248 . 1 1 51 51 TYR H H 1 9.681 0.005 . 1 . . 157 . . 49 TYR H . 18827 1
249 . 1 1 51 51 TYR HA H 1 4.427 0.0 . 1 . . 578 . . 49 TYR HA . 18827 1
250 . 1 1 51 51 TYR C C 13 173.996 0.02 . 1 . . 346 . . 49 TYR C . 18827 1
251 . 1 1 51 51 TYR CA C 13 57.297 0.024 . 1 . . 345 . . 49 TYR CA . 18827 1
252 . 1 1 51 51 TYR CB C 13 42.526 0.017 . 1 . . 498 . . 49 TYR CB . 18827 1
253 . 1 1 51 51 TYR N N 15 125.489 0.042 . 1 . . 156 . . 49 TYR N . 18827 1
254 . 1 1 52 52 LEU H H 1 8.636 0.003 . 1 . . 179 . . 50 LEU H . 18827 1
255 . 1 1 52 52 LEU HA H 1 4.771 0.0 . 1 . . 579 . . 50 LEU HA . 18827 1
256 . 1 1 52 52 LEU C C 13 176.503 0.007 . 1 . . 404 . . 50 LEU C . 18827 1
257 . 1 1 52 52 LEU CA C 13 53.683 0.06 . 1 . . 403 . . 50 LEU CA . 18827 1
258 . 1 1 52 52 LEU CB C 13 41.852 0.03 . 1 . . 497 . . 50 LEU CB . 18827 1
259 . 1 1 52 52 LEU N N 15 124.627 0.044 . 1 . . 178 . . 50 LEU N . 18827 1
260 . 1 1 53 53 VAL H H 1 8.429 0.004 . 1 . . 402 . . 51 VAL H . 18827 1
261 . 1 1 53 53 VAL C C 13 172.982 0.01 . 1 . . 428 . . 51 VAL C . 18827 1
262 . 1 1 53 53 VAL CA C 13 58.935 0.02 . 1 . . 427 . . 51 VAL CA . 18827 1
263 . 1 1 53 53 VAL N N 15 122.785 0.048 . 1 . . 401 . . 51 VAL N . 18827 1
264 . 1 1 54 54 PRO HA H 1 4.452 0.0 . 1 . . 580 . . 52 PRO HA . 18827 1
265 . 1 1 54 54 PRO C C 13 176.954 0.002 . 1 . . 407 . . 52 PRO C . 18827 1
266 . 1 1 54 54 PRO CA C 13 63.831 0.054 . 1 . . 373 . . 52 PRO CA . 18827 1
267 . 1 1 54 54 PRO CB C 13 32.616 0.03 . 1 . . 496 . . 52 PRO CB . 18827 1
268 . 1 1 55 55 SER H H 1 8.329 0.004 . 1 . . 105 . . 53 SER H . 18827 1
269 . 1 1 55 55 SER HA H 1 3.675 0.0 . 1 . . 581 . . 53 SER HA . 18827 1
270 . 1 1 55 55 SER C C 13 174.575 0.016 . 1 . . 409 . . 53 SER C . 18827 1
271 . 1 1 55 55 SER CA C 13 60.660 0.006 . 1 . . 408 . . 53 SER CA . 18827 1
272 . 1 1 55 55 SER CB C 13 63.398 0.064 . 1 . . 495 . . 53 SER CB . 18827 1
273 . 1 1 55 55 SER N N 15 117.128 0.02 . 1 . . 104 . . 53 SER N . 18827 1
274 . 1 1 56 56 ASP H H 1 8.341 0.006 . 1 . . 77 . . 54 ASP H . 18827 1
275 . 1 1 56 56 ASP HA H 1 4.537 0.0 . 1 . . 582 . . 54 ASP HA . 18827 1
276 . 1 1 56 56 ASP C C 13 177.210 0.002 . 1 . . 250 . . 54 ASP C . 18827 1
277 . 1 1 56 56 ASP CA C 13 53.950 0.005 . 1 . . 249 . . 54 ASP CA . 18827 1
278 . 1 1 56 56 ASP CB C 13 40.718 0.018 . 1 . . 494 . . 54 ASP CB . 18827 1
279 . 1 1 56 56 ASP N N 15 114.832 0.032 . 1 . . 76 . . 54 ASP N . 18827 1
280 . 1 1 57 57 ILE H H 1 7.064 0.004 . 1 . . 55 . . 55 ILE H . 18827 1
281 . 1 1 57 57 ILE HA H 1 4.595 0.0 . 1 . . 583 . . 55 ILE HA . 18827 1
282 . 1 1 57 57 ILE C C 13 175.854 0.002 . 1 . . 223 . . 55 ILE C . 18827 1
283 . 1 1 57 57 ILE CA C 13 60.866 0.014 . 1 . . 224 . . 55 ILE CA . 18827 1
284 . 1 1 57 57 ILE CB C 13 38.871 0.062 . 1 . . 493 . . 55 ILE CB . 18827 1
285 . 1 1 57 57 ILE N N 15 114.915 0.023 . 1 . . 54 . . 55 ILE N . 18827 1
286 . 1 1 58 58 THR H H 1 8.689 0.003 . 1 . . 22 . . 56 THR H . 18827 1
287 . 1 1 58 58 THR HA H 1 4.989 0.0 . 1 . . 584 . . 56 THR HA . 18827 1
288 . 1 1 58 58 THR C C 13 176.468 0.004 . 1 . . 259 . . 56 THR C . 18827 1
289 . 1 1 58 58 THR CA C 13 60.588 0.035 . 1 . . 260 . . 56 THR CA . 18827 1
290 . 1 1 58 58 THR CB C 13 72.056 0.012 . 1 . . 491 . . 56 THR CB . 18827 1
291 . 1 1 58 58 THR N N 15 112.343 0.02 . 1 . . 21 . . 56 THR N . 18827 1
292 . 1 1 59 59 VAL H H 1 8.717 0.003 . 1 . . 65 . . 57 VAL H . 18827 1
293 . 1 1 59 59 VAL HA H 1 3.680 0.0 . 1 . . 585 . . 57 VAL HA . 18827 1
294 . 1 1 59 59 VAL C C 13 178.399 0.006 . 1 . . 208 . . 57 VAL C . 18827 1
295 . 1 1 59 59 VAL CA C 13 66.628 0.028 . 1 . . 207 . . 57 VAL CA . 18827 1
296 . 1 1 59 59 VAL CB C 13 31.751 0.03 . 1 . . 492 . . 57 VAL CB . 18827 1
297 . 1 1 59 59 VAL N N 15 122.347 0.024 . 1 . . 64 . . 57 VAL N . 18827 1
298 . 1 1 60 60 ALA H H 1 8.309 0.004 . 1 . . 2 . . 58 ALA H . 18827 1
299 . 1 1 60 60 ALA HA H 1 4.131 0.0 . 1 . . 586 . . 58 ALA HA . 18827 1
300 . 1 1 60 60 ALA C C 13 180.455 0.003 . 1 . . 247 . . 58 ALA C . 18827 1
301 . 1 1 60 60 ALA CA C 13 55.488 0.011 . 1 . . 248 . . 58 ALA CA . 18827 1
302 . 1 1 60 60 ALA CB C 13 18.512 0.03 . 1 . . 631 . . 58 ALA CB . 18827 1
303 . 1 1 60 60 ALA N N 15 120.652 0.027 . 1 . . 1 . . 58 ALA N . 18827 1
304 . 1 1 61 61 GLN H H 1 7.888 0.005 . 1 . . 51 . . 59 GLN H . 18827 1
305 . 1 1 61 61 GLN HA H 1 4.089 0.0 . 1 . . 587 . . 59 GLN HA . 18827 1
306 . 1 1 61 61 GLN C C 13 179.505 0.004 . 1 . . 339 . . 59 GLN C . 18827 1
307 . 1 1 61 61 GLN CA C 13 59.116 0.019 . 1 . . 340 . . 59 GLN CA . 18827 1
308 . 1 1 61 61 GLN CB C 13 29.153 0.042 . 1 . . 490 . . 59 GLN CB . 18827 1
309 . 1 1 61 61 GLN N N 15 118.178 0.025 . 1 . . 50 . . 59 GLN N . 18827 1
310 . 1 1 62 62 PHE H H 1 8.985 0.006 . 1 . . 165 . . 60 PHE H . 18827 1
311 . 1 1 62 62 PHE HA H 1 4.305 0.0 . 1 . . 588 . . 60 PHE HA . 18827 1
312 . 1 1 62 62 PHE C C 13 176.730 0.015 . 1 . . 261 . . 60 PHE C . 18827 1
313 . 1 1 62 62 PHE CA C 13 60.868 0.029 . 1 . . 262 . . 60 PHE CA . 18827 1
314 . 1 1 62 62 PHE CB C 13 39.684 0.03 . 1 . . 489 . . 60 PHE CB . 18827 1
315 . 1 1 62 62 PHE N N 15 123.754 0.038 . 1 . . 164 . . 60 PHE N . 18827 1
316 . 1 1 63 63 MET H H 1 8.890 0.006 . 1 . . 67 . . 61 MET H . 18827 1
317 . 1 1 63 63 MET HA H 1 3.376 0.0 . 1 . . 589 . . 61 MET HA . 18827 1
318 . 1 1 63 63 MET C C 13 177.581 0.002 . 1 . . 324 . . 61 MET C . 18827 1
319 . 1 1 63 63 MET CA C 13 59.994 0.012 . 1 . . 323 . . 61 MET CA . 18827 1
320 . 1 1 63 63 MET CB C 13 32.621 0.03 . 1 . . 488 . . 61 MET CB . 18827 1
321 . 1 1 63 63 MET N N 15 118.646 0.022 . 1 . . 66 . . 61 MET N . 18827 1
322 . 1 1 64 64 TRP H H 1 7.536 0.004 . 1 . . 145 . . 62 TRP H . 18827 1
323 . 1 1 64 64 TRP HA H 1 4.087 0.0 . 1 . . 590 . . 62 TRP HA . 18827 1
324 . 1 1 64 64 TRP C C 13 177.793 0.016 . 1 . . 398 . . 62 TRP C . 18827 1
325 . 1 1 64 64 TRP CA C 13 61.092 0.012 . 1 . . 367 . . 62 TRP CA . 18827 1
326 . 1 1 64 64 TRP CB C 13 29.107 0.03 . 1 . . 487 . . 62 TRP CB . 18827 1
327 . 1 1 64 64 TRP N N 15 118.658 0.018 . 1 . . 144 . . 62 TRP N . 18827 1
328 . 1 1 65 65 ILE H H 1 7.572 0.003 . 1 . . 181 . . 63 ILE H . 18827 1
329 . 1 1 65 65 ILE HA H 1 3.452 0.0 . 1 . . 591 . . 63 ILE HA . 18827 1
330 . 1 1 65 65 ILE C C 13 178.994 0.002 . 1 . . 353 . . 63 ILE C . 18827 1
331 . 1 1 65 65 ILE CA C 13 65.880 0.013 . 1 . . 354 . . 63 ILE CA . 18827 1
332 . 1 1 65 65 ILE CB C 13 37.570 0.03 . 1 . . 486 . . 63 ILE CB . 18827 1
333 . 1 1 65 65 ILE N N 15 121.039 0.028 . 1 . . 180 . . 63 ILE N . 18827 1
334 . 1 1 66 66 ILE H H 1 7.362 0.007 . 1 . . 192 . . 64 ILE H . 18827 1
335 . 1 1 66 66 ILE HA H 1 3.200 0.0 . 1 . . 592 . . 64 ILE HA . 18827 1
336 . 1 1 66 66 ILE C C 13 177.309 0.008 . 1 . . 298 . . 64 ILE C . 18827 1
337 . 1 1 66 66 ILE CA C 13 63.608 0.069 . 1 . . 297 . . 64 ILE CA . 18827 1
338 . 1 1 66 66 ILE CB C 13 36.044 0.03 . 1 . . 485 . . 64 ILE CB . 18827 1
339 . 1 1 66 66 ILE N N 15 119.807 0.027 . 1 . . 191 . . 64 ILE N . 18827 1
340 . 1 1 67 67 ARG H H 1 8.310 0.005 . 1 . . 113 . . 65 ARG H . 18827 1
341 . 1 1 67 67 ARG HA H 1 3.327 0.0 . 1 . . 593 . . 65 ARG HA . 18827 1
342 . 1 1 67 67 ARG C C 13 178.345 0.006 . 1 . . 239 . . 65 ARG C . 18827 1
343 . 1 1 67 67 ARG CA C 13 60.312 0.017 . 1 . . 240 . . 65 ARG CA . 18827 1
344 . 1 1 67 67 ARG CB C 13 30.456 0.051 . 1 . . 484 . . 65 ARG CB . 18827 1
345 . 1 1 67 67 ARG N N 15 117.921 0.024 . 1 . . 112 . . 65 ARG N . 18827 1
346 . 1 1 68 68 LYS H H 1 7.913 0.005 . 1 . . 44 . . 66 LYS H . 18827 1
347 . 1 1 68 68 LYS HA H 1 3.911 0.0 . 1 . . 594 . . 66 LYS HA . 18827 1
348 . 1 1 68 68 LYS C C 13 179.572 0.004 . 1 . . 228 . . 66 LYS C . 18827 1
349 . 1 1 68 68 LYS CA C 13 58.421 0.05 . 1 . . 227 . . 66 LYS CA . 18827 1
350 . 1 1 68 68 LYS CB C 13 31.895 0.072 . 1 . . 483 . . 66 LYS CB . 18827 1
351 . 1 1 68 68 LYS N N 15 116.386 0.028 . 1 . . 43 . . 66 LYS N . 18827 1
352 . 1 1 69 69 ARG H H 1 7.843 0.004 . 1 . . 26 . . 67 ARG H . 18827 1
353 . 1 1 69 69 ARG HA H 1 4.066 0.0 . 1 . . 595 . . 67 ARG HA . 18827 1
354 . 1 1 69 69 ARG C C 13 178.769 0.003 . 1 . . 396 . . 67 ARG C . 18827 1
355 . 1 1 69 69 ARG CA C 13 58.511 0.006 . 1 . . 368 . . 67 ARG CA . 18827 1
356 . 1 1 69 69 ARG CB C 13 30.034 0.03 . 1 . . 482 . . 67 ARG CB . 18827 1
357 . 1 1 69 69 ARG N N 15 120.836 0.029 . 1 . . 25 . . 67 ARG N . 18827 1
358 . 1 1 70 70 ILE H H 1 7.644 0.006 . 1 . . 131 . . 68 ILE H . 18827 1
359 . 1 1 70 70 ILE HA H 1 4.327 0.0 . 1 . . 596 . . 68 ILE HA . 18827 1
360 . 1 1 70 70 ILE C C 13 174.594 0.001 . 1 . . 308 . . 68 ILE C . 18827 1
361 . 1 1 70 70 ILE CA C 13 61.438 0.032 . 1 . . 307 . . 68 ILE CA . 18827 1
362 . 1 1 70 70 ILE CB C 13 37.263 0.023 . 1 . . 480 . . 68 ILE CB . 18827 1
363 . 1 1 70 70 ILE N N 15 109.688 0.032 . 1 . . 130 . . 68 ILE N . 18827 1
364 . 1 1 71 71 GLN H H 1 7.697 0.003 . 1 . . 125 . . 69 GLN H . 18827 1
365 . 1 1 71 71 GLN HA H 1 3.767 0.0 . 1 . . 597 . . 69 GLN HA . 18827 1
366 . 1 1 71 71 GLN C C 13 175.353 0.003 . 1 . . 305 . . 69 GLN C . 18827 1
367 . 1 1 71 71 GLN CA C 13 56.228 0.011 . 1 . . 306 . . 69 GLN CA . 18827 1
368 . 1 1 71 71 GLN CB C 13 26.119 0.048 . 1 . . 479 . . 69 GLN CB . 18827 1
369 . 1 1 71 71 GLN N N 15 118.664 0.025 . 1 . . 124 . . 69 GLN N . 18827 1
370 . 1 1 72 72 LEU H H 1 7.633 0.003 . 1 . . 123 . . 70 LEU H . 18827 1
371 . 1 1 72 72 LEU C C 13 175.467 0.01 . 1 . . 481 . . 70 LEU C . 18827 1
372 . 1 1 72 72 LEU CA C 13 52.863 0.001 . 1 . . 429 . . 70 LEU CA . 18827 1
373 . 1 1 72 72 LEU CB C 13 44.077 0.03 . 1 . . 478 . . 70 LEU CB . 18827 1
374 . 1 1 72 72 LEU N N 15 122.193 0.022 . 1 . . 122 . . 70 LEU N . 18827 1
375 . 1 1 73 73 PRO HA H 1 4.424 0.0 . 1 . . 598 . . 71 PRO HA . 18827 1
376 . 1 1 73 73 PRO C C 13 177.716 0.003 . 1 . . 406 . . 71 PRO C . 18827 1
377 . 1 1 73 73 PRO CA C 13 63.476 0.032 . 1 . . 382 . . 71 PRO CA . 18827 1
378 . 1 1 73 73 PRO CB C 13 32.874 0.03 . 1 . . 477 . . 71 PRO CB . 18827 1
379 . 1 1 74 74 SER H H 1 8.709 0.002 . 1 . . 171 . . 72 SER H . 18827 1
380 . 1 1 74 74 SER HA H 1 3.954 0.0 . 1 . . 599 . . 72 SER HA . 18827 1
381 . 1 1 74 74 SER C C 13 174.832 0.006 . 1 . . 357 . . 72 SER C . 18827 1
382 . 1 1 74 74 SER CA C 13 61.889 0.014 . 1 . . 358 . . 72 SER CA . 18827 1
383 . 1 1 74 74 SER CB C 13 62.928 0.023 . 1 . . 476 . . 72 SER CB . 18827 1
384 . 1 1 74 74 SER N N 15 117.604 0.018 . 1 . . 170 . . 72 SER N . 18827 1
385 . 1 1 75 75 GLU H H 1 9.117 0.003 . 1 . . 196 . . 73 GLU H . 18827 1
386 . 1 1 75 75 GLU HA H 1 4.197 0.0 . 1 . . 600 . . 73 GLU HA . 18827 1
387 . 1 1 75 75 GLU C C 13 176.486 0.001 . 1 . . 256 . . 73 GLU C . 18827 1
388 . 1 1 75 75 GLU CA C 13 57.764 0.024 . 1 . . 255 . . 73 GLU CA . 18827 1
389 . 1 1 75 75 GLU CB C 13 28.608 0.006 . 1 . . 475 . . 73 GLU CB . 18827 1
390 . 1 1 75 75 GLU N N 15 118.008 0.032 . 1 . . 195 . . 73 GLU N . 18827 1
391 . 1 1 76 76 LYS H H 1 7.865 0.005 . 1 . . 61 . . 74 LYS H . 18827 1
392 . 1 1 76 76 LYS HA H 1 4.508 0.0 . 1 . . 601 . . 74 LYS HA . 18827 1
393 . 1 1 76 76 LYS C C 13 175.031 0.0 . 1 . . 257 . . 74 LYS C . 18827 1
394 . 1 1 76 76 LYS CA C 13 54.674 0.01 . 1 . . 258 . . 74 LYS CA . 18827 1
395 . 1 1 76 76 LYS CB C 13 33.046 0.02 . 1 . . 474 . . 74 LYS CB . 18827 1
396 . 1 1 76 76 LYS N N 15 121.023 0.03 . 1 . . 60 . . 74 LYS N . 18827 1
397 . 1 1 77 77 ALA H H 1 8.382 0.005 . 1 . . 63 . . 75 ALA H . 18827 1
398 . 1 1 77 77 ALA HA H 1 4.081 0.0 . 1 . . 602 . . 75 ALA HA . 18827 1
399 . 1 1 77 77 ALA C C 13 175.580 0.004 . 1 . . 217 . . 75 ALA C . 18827 1
400 . 1 1 77 77 ALA CA C 13 52.017 0.006 . 1 . . 218 . . 75 ALA CA . 18827 1
401 . 1 1 77 77 ALA CB C 13 21.213 0.0 . 1 . . 632 . . 75 ALA CB . 18827 1
402 . 1 1 77 77 ALA N N 15 126.068 0.032 . 1 . . 62 . . 75 ALA N . 18827 1
403 . 1 1 78 78 ILE H H 1 7.304 0.005 . 1 . . 14 . . 76 ILE H . 18827 1
404 . 1 1 78 78 ILE HA H 1 4.627 0.0 . 1 . . 603 . . 76 ILE HA . 18827 1
405 . 1 1 78 78 ILE C C 13 171.550 0.002 . 1 . . 277 . . 76 ILE C . 18827 1
406 . 1 1 78 78 ILE CA C 13 59.651 0.006 . 1 . . 278 . . 76 ILE CA . 18827 1
407 . 1 1 78 78 ILE CB C 13 41.943 0.036 . 1 . . 473 . . 76 ILE CB . 18827 1
408 . 1 1 78 78 ILE N N 15 114.572 0.02 . 1 . . 13 . . 76 ILE N . 18827 1
409 . 1 1 79 79 PHE H H 1 8.724 0.002 . 1 . . 87 . . 77 PHE H . 18827 1
410 . 1 1 79 79 PHE HA H 1 4.329 0.0 . 1 . . 604 . . 77 PHE HA . 18827 1
411 . 1 1 79 79 PHE C C 13 173.641 0.003 . 1 . . 225 . . 77 PHE C . 18827 1
412 . 1 1 79 79 PHE CA C 13 57.047 0.009 . 1 . . 226 . . 77 PHE CA . 18827 1
413 . 1 1 79 79 PHE CB C 13 42.626 0.01 . 1 . . 472 . . 77 PHE CB . 18827 1
414 . 1 1 79 79 PHE N N 15 123.349 0.031 . 1 . . 86 . . 77 PHE N . 18827 1
415 . 1 1 80 80 LEU H H 1 7.923 0.006 . 1 . . 24 . . 78 LEU H . 18827 1
416 . 1 1 80 80 LEU HA H 1 5.315 0.0 . 1 . . 605 . . 78 LEU HA . 18827 1
417 . 1 1 80 80 LEU C C 13 174.681 0.006 . 1 . . 348 . . 78 LEU C . 18827 1
418 . 1 1 80 80 LEU CA C 13 52.604 0.007 . 1 . . 347 . . 78 LEU CA . 18827 1
419 . 1 1 80 80 LEU CB C 13 44.006 0.03 . 1 . . 471 . . 78 LEU CB . 18827 1
420 . 1 1 80 80 LEU N N 15 120.152 0.032 . 1 . . 23 . . 78 LEU N . 18827 1
421 . 1 1 81 81 PHE H H 1 9.144 0.003 . 1 . . 183 . . 79 PHE H . 18827 1
422 . 1 1 81 81 PHE HA H 1 5.128 0.0 . 1 . . 606 . . 79 PHE HA . 18827 1
423 . 1 1 81 81 PHE C C 13 176.333 0.014 . 1 . . 327 . . 79 PHE C . 18827 1
424 . 1 1 81 81 PHE CA C 13 56.780 0.012 . 1 . . 328 . . 79 PHE CA . 18827 1
425 . 1 1 81 81 PHE CB C 13 43.759 0.077 . 1 . . 470 . . 79 PHE CB . 18827 1
426 . 1 1 81 81 PHE N N 15 114.129 0.027 . 1 . . 182 . . 79 PHE N . 18827 1
427 . 1 1 82 82 VAL H H 1 9.097 0.005 . 1 . . 151 . . 80 VAL H . 18827 1
428 . 1 1 82 82 VAL HA H 1 4.639 0.0 . 1 . . 607 . . 80 VAL HA . 18827 1
429 . 1 1 82 82 VAL C C 13 176.296 0.002 . 1 . . 395 . . 80 VAL C . 18827 1
430 . 1 1 82 82 VAL CA C 13 61.633 0.023 . 1 . . 376 . . 80 VAL CA . 18827 1
431 . 1 1 82 82 VAL CB C 13 33.913 0.03 . 1 . . 469 . . 80 VAL CB . 18827 1
432 . 1 1 82 82 VAL N N 15 121.941 0.042 . 1 . . 150 . . 80 VAL N . 18827 1
433 . 1 1 83 83 ASP H H 1 9.607 0.005 . 1 . . 89 . . 81 ASP H . 18827 1
434 . 1 1 83 83 ASP HA H 1 4.299 0.001 . 1 . . 608 . . 81 ASP HA . 18827 1
435 . 1 1 83 83 ASP C C 13 175.558 0.003 . 1 . . 234 . . 81 ASP C . 18827 1
436 . 1 1 83 83 ASP CA C 13 56.582 0.029 . 1 . . 233 . . 81 ASP CA . 18827 1
437 . 1 1 83 83 ASP CB C 13 39.761 0.03 . 1 . . 468 . . 81 ASP CB . 18827 1
438 . 1 1 83 83 ASP N N 15 129.380 0.038 . 1 . . 88 . . 81 ASP N . 18827 1
439 . 1 1 84 84 LYS H H 1 8.457 0.005 . 1 . . 38 . . 82 LYS H . 18827 1
440 . 1 1 84 84 LYS HA H 1 3.542 0.0 . 1 . . 609 . . 82 LYS HA . 18827 1
441 . 1 1 84 84 LYS C C 13 175.239 0.011 . 1 . . 211 . . 82 LYS C . 18827 1
442 . 1 1 84 84 LYS CA C 13 57.432 0.022 . 1 . . 212 . . 82 LYS CA . 18827 1
443 . 1 1 84 84 LYS N N 15 112.625 0.019 . 1 . . 37 . . 82 LYS N . 18827 1
444 . 1 1 85 85 THR H H 1 7.966 0.005 . 1 . . 6 . . 83 THR H . 18827 1
445 . 1 1 85 85 THR HA H 1 4.765 0.0 . 1 . . 610 . . 83 THR HA . 18827 1
446 . 1 1 85 85 THR C C 13 173.058 0.007 . 1 . . 231 . . 83 THR C . 18827 1
447 . 1 1 85 85 THR CA C 13 61.070 0.008 . 1 . . 232 . . 83 THR CA . 18827 1
448 . 1 1 85 85 THR CB C 13 71.919 0.045 . 1 . . 467 . . 83 THR CB . 18827 1
449 . 1 1 85 85 THR N N 15 113.700 0.026 . 1 . . 5 . . 83 THR N . 18827 1
450 . 1 1 86 86 VAL H H 1 8.613 0.004 . 1 . . 34 . . 84 VAL H . 18827 1
451 . 1 1 86 86 VAL C C 13 175.666 0.01 . 1 . . 430 . . 84 VAL C . 18827 1
452 . 1 1 86 86 VAL CA C 13 59.660 0.003 . 1 . . 431 . . 84 VAL CA . 18827 1
453 . 1 1 86 86 VAL CB C 13 32.783 0.03 . 1 . . 466 . . 84 VAL CB . 18827 1
454 . 1 1 86 86 VAL N N 15 127.519 0.034 . 1 . . 33 . . 84 VAL N . 18827 1
455 . 1 1 87 87 PRO HA H 1 4.531 0.0 . 1 . . 611 . . 85 PRO HA . 18827 1
456 . 1 1 87 87 PRO C C 13 175.835 0.001 . 1 . . 405 . . 85 PRO C . 18827 1
457 . 1 1 87 87 PRO CA C 13 61.608 0.006 . 1 . . 372 . . 85 PRO CA . 18827 1
458 . 1 1 87 87 PRO CB C 13 32.489 0.03 . 1 . . 465 . . 85 PRO CB . 18827 1
459 . 1 1 88 88 GLN H H 1 8.454 0.005 . 1 . . 18 . . 86 GLN H . 18827 1
460 . 1 1 88 88 GLN HA H 1 4.158 0.0 . 1 . . 612 . . 86 GLN HA . 18827 1
461 . 1 1 88 88 GLN C C 13 177.704 0.002 . 1 . . 296 . . 86 GLN C . 18827 1
462 . 1 1 88 88 GLN CA C 13 56.928 0.007 . 1 . . 295 . . 86 GLN CA . 18827 1
463 . 1 1 88 88 GLN CB C 13 29.015 0.01 . 1 . . 464 . . 86 GLN CB . 18827 1
464 . 1 1 88 88 GLN N N 15 122.323 0.034 . 1 . . 17 . . 86 GLN N . 18827 1
465 . 1 1 89 89 SER H H 1 8.512 0.005 . 1 . . 111 . . 87 SER H . 18827 1
466 . 1 1 89 89 SER HA H 1 3.923 0.001 . 1 . . 613 . . 87 SER HA . 18827 1
467 . 1 1 89 89 SER C C 13 174.156 0.026 . 1 . . 214 . . 87 SER C . 18827 1
468 . 1 1 89 89 SER CA C 13 61.798 0.01 . 1 . . 213 . . 87 SER CA . 18827 1
469 . 1 1 89 89 SER CB C 13 63.630 0.03 . 1 . . 463 . . 87 SER CB . 18827 1
470 . 1 1 89 89 SER N N 15 119.678 0.024 . 1 . . 110 . . 87 SER N . 18827 1
471 . 1 1 90 90 SER H H 1 7.634 0.002 . 1 . . 10 . . 88 SER H . 18827 1
472 . 1 1 90 90 SER HA H 1 4.419 0.0 . 1 . . 614 . . 88 SER HA . 18827 1
473 . 1 1 90 90 SER C C 13 175.563 0.002 . 1 . . 265 . . 88 SER C . 18827 1
474 . 1 1 90 90 SER CA C 13 57.866 0.014 . 1 . . 266 . . 88 SER CA . 18827 1
475 . 1 1 90 90 SER CB C 13 63.680 0.003 . 1 . . 462 . . 88 SER CB . 18827 1
476 . 1 1 90 90 SER N N 15 110.573 0.018 . 1 . . 9 . . 88 SER N . 18827 1
477 . 1 1 91 91 LEU H H 1 7.282 0.005 . 1 . . 71 . . 89 LEU H . 18827 1
478 . 1 1 91 91 LEU HA H 1 4.301 0.0 . 1 . . 615 . . 89 LEU HA . 18827 1
479 . 1 1 91 91 LEU C C 13 177.118 0.004 . 1 . . 216 . . 89 LEU C . 18827 1
480 . 1 1 91 91 LEU CA C 13 55.557 0.01 . 1 . . 215 . . 89 LEU CA . 18827 1
481 . 1 1 91 91 LEU CB C 13 43.288 0.009 . 1 . . 461 . . 89 LEU CB . 18827 1
482 . 1 1 91 91 LEU N N 15 123.775 0.034 . 1 . . 70 . . 89 LEU N . 18827 1
483 . 1 1 92 92 THR H H 1 8.299 0.004 . 1 . . 12 . . 90 THR H . 18827 1
484 . 1 1 92 92 THR HA H 1 4.784 0.0 . 1 . . 616 . . 90 THR HA . 18827 1
485 . 1 1 92 92 THR C C 13 176.522 0.007 . 1 . . 235 . . 90 THR C . 18827 1
486 . 1 1 92 92 THR CA C 13 60.638 0.011 . 1 . . 236 . . 90 THR CA . 18827 1
487 . 1 1 92 92 THR CB C 13 70.379 0.024 . 1 . . 460 . . 90 THR CB . 18827 1
488 . 1 1 92 92 THR N N 15 109.736 0.045 . 1 . . 11 . . 90 THR N . 18827 1
489 . 1 1 93 93 MET H H 1 9.264 0.003 . 1 . . 40 . . 91 MET H . 18827 1
490 . 1 1 93 93 MET HA H 1 4.399 0.0 . 1 . . 617 . . 91 MET HA . 18827 1
491 . 1 1 93 93 MET C C 13 179.671 0.005 . 1 . . 318 . . 91 MET C . 18827 1
492 . 1 1 93 93 MET CA C 13 55.650 0.011 . 1 . . 317 . . 91 MET CA . 18827 1
493 . 1 1 93 93 MET CB C 13 28.112 0.013 . 1 . . 459 . . 91 MET CB . 18827 1
494 . 1 1 93 93 MET N N 15 119.798 0.016 . 1 . . 39 . . 91 MET N . 18827 1
495 . 1 1 94 94 GLY H H 1 9.487 0.006 . 1 . . 139 . . 92 GLY H . 18827 1
496 . 1 1 94 94 GLY HA2 H 1 3.733 . . 2 . . 634 . . 92 GLY HA2 . 18827 1
497 . 1 1 94 94 GLY HA3 H 1 3.953 0.0 . 2 . . 633 . . 92 GLY HA3 . 18827 1
498 . 1 1 94 94 GLY C C 13 176.467 0.002 . 1 . . 219 . . 92 GLY C . 18827 1
499 . 1 1 94 94 GLY CA C 13 47.314 0.011 . 1 . . 220 . . 92 GLY CA . 18827 1
500 . 1 1 94 94 GLY N N 15 108.167 0.022 . 1 . . 138 . . 92 GLY N . 18827 1
501 . 1 1 95 95 GLN H H 1 7.926 0.005 . 1 . . 16 . . 93 GLN H . 18827 1
502 . 1 1 95 95 GLN HA H 1 4.105 0.0 . 1 . . 618 . . 93 GLN HA . 18827 1
503 . 1 1 95 95 GLN C C 13 179.671 0.009 . 1 . . 304 . . 93 GLN C . 18827 1
504 . 1 1 95 95 GLN CA C 13 58.783 0.015 . 1 . . 303 . . 93 GLN CA . 18827 1
505 . 1 1 95 95 GLN CB C 13 29.203 0.006 . 1 . . 458 . . 93 GLN CB . 18827 1
506 . 1 1 95 95 GLN N N 15 122.892 0.048 . 1 . . 15 . . 93 GLN N . 18827 1
507 . 1 1 96 96 LEU H H 1 8.511 0.005 . 1 . . 121 . . 94 LEU H . 18827 1
508 . 1 1 96 96 LEU HA H 1 4.022 0.0 . 1 . . 619 . . 94 LEU HA . 18827 1
509 . 1 1 96 96 LEU C C 13 177.833 0.004 . 1 . . 362 . . 94 LEU C . 18827 1
510 . 1 1 96 96 LEU CA C 13 57.827 0.006 . 1 . . 361 . . 94 LEU CA . 18827 1
511 . 1 1 96 96 LEU CB C 13 42.273 0.013 . 1 . . 457 . . 94 LEU CB . 18827 1
512 . 1 1 96 96 LEU N N 15 121.613 0.04 . 1 . . 120 . . 94 LEU N . 18827 1
513 . 1 1 97 97 TYR H H 1 8.826 0.003 . 1 . . 200 . . 95 TYR H . 18827 1
514 . 1 1 97 97 TYR HA H 1 3.765 0.0 . 1 . . 620 . . 95 TYR HA . 18827 1
515 . 1 1 97 97 TYR C C 13 176.058 0.006 . 1 . . 335 . . 95 TYR C . 18827 1
516 . 1 1 97 97 TYR CA C 13 62.546 0.005 . 1 . . 336 . . 95 TYR CA . 18827 1
517 . 1 1 97 97 TYR CB C 13 39.451 0.03 . 1 . . 456 . . 95 TYR CB . 18827 1
518 . 1 1 97 97 TYR N N 15 119.063 0.035 . 1 . . 199 . . 95 TYR N . 18827 1
519 . 1 1 98 98 GLU H H 1 7.849 0.005 . 1 . . 161 . . 96 GLU H . 18827 1
520 . 1 1 98 98 GLU HA H 1 3.750 0.0 . 1 . . 621 . . 96 GLU HA . 18827 1
521 . 1 1 98 98 GLU C C 13 177.981 0.005 . 1 . . 309 . . 96 GLU C . 18827 1
522 . 1 1 98 98 GLU CA C 13 59.033 0.005 . 1 . . 310 . . 96 GLU CA . 18827 1
523 . 1 1 98 98 GLU CB C 13 29.540 0.016 . 1 . . 455 . . 96 GLU CB . 18827 1
524 . 1 1 98 98 GLU N N 15 115.297 0.018 . 1 . . 160 . . 96 GLU N . 18827 1
525 . 1 1 99 99 LYS H H 1 7.261 0.005 . 1 . . 129 . . 97 LYS H . 18827 1
526 . 1 1 99 99 LYS HA H 1 4.242 0.0 . 1 . . 622 . . 97 LYS HA . 18827 1
527 . 1 1 99 99 LYS C C 13 178.693 0.002 . 1 . . 222 . . 97 LYS C . 18827 1
528 . 1 1 99 99 LYS CA C 13 57.937 0.022 . 1 . . 221 . . 97 LYS CA . 18827 1
529 . 1 1 99 99 LYS CB C 13 34.913 0.003 . 1 . . 454 . . 97 LYS CB . 18827 1
530 . 1 1 99 99 LYS N N 15 114.199 0.013 . 1 . . 128 . . 97 LYS N . 18827 1
531 . 1 1 100 100 GLU H H 1 8.284 0.004 . 1 . . 20 . . 98 GLU H . 18827 1
532 . 1 1 100 100 GLU HA H 1 4.789 0.001 . 1 . . 623 . . 98 GLU HA . 18827 1
533 . 1 1 100 100 GLU C C 13 177.050 0.01 . 1 . . 279 . . 98 GLU C . 18827 1
534 . 1 1 100 100 GLU CA C 13 55.163 0.019 . 1 . . 280 . . 98 GLU CA . 18827 1
535 . 1 1 100 100 GLU CB C 13 30.409 0.029 . 1 . . 453 . . 98 GLU CB . 18827 1
536 . 1 1 100 100 GLU N N 15 113.291 0.023 . 1 . . 19 . . 98 GLU N . 18827 1
537 . 1 1 101 101 LYS H H 1 7.861 0.005 . 1 . . 91 . . 99 LYS H . 18827 1
538 . 1 1 101 101 LYS HA H 1 3.857 0.0 . 1 . . 624 . . 99 LYS HA . 18827 1
539 . 1 1 101 101 LYS C C 13 174.639 0.002 . 1 . . 341 . . 99 LYS C . 18827 1
540 . 1 1 101 101 LYS CA C 13 57.427 0.027 . 1 . . 342 . . 99 LYS CA . 18827 1
541 . 1 1 101 101 LYS CB C 13 31.726 0.008 . 1 . . 452 . . 99 LYS CB . 18827 1
542 . 1 1 101 101 LYS N N 15 119.479 0.024 . 1 . . 90 . . 99 LYS N . 18827 1
543 . 1 1 102 102 ASP H H 1 8.820 0.004 . 1 . . 169 . . 100 ASP H . 18827 1
544 . 1 1 102 102 ASP HA H 1 4.511 0.0 . 1 . . 625 . . 100 ASP HA . 18827 1
545 . 1 1 102 102 ASP C C 13 177.164 0.056 . 1 . . 252 . . 100 ASP C . 18827 1
546 . 1 1 102 102 ASP CA C 13 54.061 0.011 . 1 . . 251 . . 100 ASP CA . 18827 1
547 . 1 1 102 102 ASP CB C 13 43.385 0.014 . 1 . . 451 . . 100 ASP CB . 18827 1
548 . 1 1 102 102 ASP N N 15 123.597 0.025 . 1 . . 168 . . 100 ASP N . 18827 1
549 . 1 1 103 103 GLU H H 1 8.675 0.003 . 1 . . 57 . . 101 GLU H . 18827 1
550 . 1 1 103 103 GLU HA H 1 4.132 0.0 . 1 . . 626 . . 101 GLU HA . 18827 1
551 . 1 1 103 103 GLU C C 13 177.081 0.01 . 1 . . 432 . . 101 GLU C . 18827 1
552 . 1 1 103 103 GLU CA C 13 58.979 0.018 . 1 . . 366 . . 101 GLU CA . 18827 1
553 . 1 1 103 103 GLU CB C 13 29.035 0.078 . 1 . . 450 . . 101 GLU CB . 18827 1
554 . 1 1 103 103 GLU N N 15 125.724 0.033 . 1 . . 56 . . 101 GLU N . 18827 1
555 . 1 1 104 104 ASP H H 1 9.969 0.003 . 1 . . 177 . . 102 ASP H . 18827 1
556 . 1 1 104 104 ASP HA H 1 4.985 0.001 . 1 . . 627 . . 102 ASP HA . 18827 1
557 . 1 1 104 104 ASP C C 13 177.411 0.004 . 1 . . 275 . . 102 ASP C . 18827 1
558 . 1 1 104 104 ASP CA C 13 53.909 0.009 . 1 . . 276 . . 102 ASP CA . 18827 1
559 . 1 1 104 104 ASP CB C 13 41.024 0.048 . 1 . . 449 . . 102 ASP CB . 18827 1
560 . 1 1 104 104 ASP N N 15 121.417 0.039 . 1 . . 176 . . 102 ASP N . 18827 1
561 . 1 1 105 105 GLY H H 1 8.080 0.004 . 1 . . 85 . . 103 GLY H . 18827 1
562 . 1 1 105 105 GLY HA2 H 1 3.423 0.0 . 2 . . 641 . . 103 GLY HA2 . 18827 1
563 . 1 1 105 105 GLY HA3 H 1 4.372 . . 2 . . 640 . . 103 GLY HA3 . 18827 1
564 . 1 1 105 105 GLY C C 13 174.786 0.01 . 1 . . 644 . . 103 GLY C . 18827 1
565 . 1 1 105 105 GLY CA C 13 45.506 0.019 . 1 . . 383 . . 103 GLY CA . 18827 1
566 . 1 1 105 105 GLY N N 15 105.235 0.046 . 1 . . 84 . . 103 GLY N . 18827 1
567 . 1 1 106 106 PHE H H 1 9.699 0.004 . 1 . . 173 . . 104 PHE H . 18827 1
568 . 1 1 106 106 PHE HA H 1 4.651 0.001 . 1 . . 628 . . 104 PHE HA . 18827 1
569 . 1 1 106 106 PHE C C 13 174.513 0.013 . 1 . . 389 . . 104 PHE C . 18827 1
570 . 1 1 106 106 PHE CA C 13 59.238 0.008 . 1 . . 390 . . 104 PHE CA . 18827 1
571 . 1 1 106 106 PHE CB C 13 39.945 0.0 . 1 . . 448 . . 104 PHE CB . 18827 1
572 . 1 1 106 106 PHE N N 15 122.369 0.042 . 1 . . 172 . . 104 PHE N . 18827 1
573 . 1 1 107 107 LEU H H 1 8.076 0.005 . 1 . . 387 . . 105 LEU H . 18827 1
574 . 1 1 107 107 LEU HA H 1 4.758 0.0 . 1 . . 629 . . 105 LEU HA . 18827 1
575 . 1 1 107 107 LEU C C 13 173.352 0.011 . 1 . . 388 . . 105 LEU C . 18827 1
576 . 1 1 107 107 LEU CA C 13 53.487 0.023 . 1 . . 371 . . 105 LEU CA . 18827 1
577 . 1 1 107 107 LEU CB C 13 45.456 0.001 . 1 . . 447 . . 105 LEU CB . 18827 1
578 . 1 1 107 107 LEU N N 15 120.215 0.028 . 1 . . 386 . . 105 LEU N . 18827 1
579 . 1 1 108 108 TYR H H 1 8.832 0.005 . 1 . . 167 . . 106 TYR H . 18827 1
580 . 1 1 108 108 TYR HA H 1 4.479 0.001 . 1 . . 544 . . 106 TYR HA . 18827 1
581 . 1 1 108 108 TYR C C 13 175.130 0.005 . 1 . . 338 . . 106 TYR C . 18827 1
582 . 1 1 108 108 TYR CA C 13 58.373 0.013 . 1 . . 337 . . 106 TYR CA . 18827 1
583 . 1 1 108 108 TYR CB C 13 37.734 0.047 . 1 . . 446 . . 106 TYR CB . 18827 1
584 . 1 1 108 108 TYR N N 15 127.954 0.041 . 1 . . 166 . . 106 TYR N . 18827 1
585 . 1 1 109 109 VAL H H 1 9.546 0.006 . 1 . . 163 . . 107 VAL H . 18827 1
586 . 1 1 109 109 VAL HA H 1 4.828 0.0 . 1 . . 543 . . 107 VAL HA . 18827 1
587 . 1 1 109 109 VAL C C 13 173.906 0.002 . 1 . . 329 . . 107 VAL C . 18827 1
588 . 1 1 109 109 VAL CA C 13 60.842 0.039 . 1 . . 330 . . 107 VAL CA . 18827 1
589 . 1 1 109 109 VAL CB C 13 35.101 0.045 . 1 . . 445 . . 107 VAL CB . 18827 1
590 . 1 1 109 109 VAL N N 15 124.747 0.027 . 1 . . 162 . . 107 VAL N . 18827 1
591 . 1 1 110 110 ALA H H 1 9.199 0.003 . 1 . . 153 . . 108 ALA H . 18827 1
592 . 1 1 110 110 ALA C C 13 177.545 0.007 . 1 . . 363 . . 108 ALA C . 18827 1
593 . 1 1 110 110 ALA CA C 13 49.157 0.008 . 1 . . 364 . . 108 ALA CA . 18827 1
594 . 1 1 110 110 ALA CB C 13 22.540 0.075 . 1 . . 643 . . 108 ALA CB . 18827 1
595 . 1 1 110 110 ALA N N 15 128.807 0.04 . 1 . . 152 . . 108 ALA N . 18827 1
596 . 1 1 111 111 TYR H H 1 8.232 0.004 . 1 . . 206 . . 109 TYR H . 18827 1
597 . 1 1 111 111 TYR HA H 1 4.049 0.0 . 1 . . 642 . . 109 TYR HA . 18827 1
598 . 1 1 111 111 TYR C C 13 173.150 0.006 . 1 . . 322 . . 109 TYR C . 18827 1
599 . 1 1 111 111 TYR CA C 13 55.428 0.009 . 1 . . 321 . . 109 TYR CA . 18827 1
600 . 1 1 111 111 TYR CB C 13 43.422 0.017 . 1 . . 444 . . 109 TYR CB . 18827 1
601 . 1 1 111 111 TYR N N 15 115.661 0.057 . 1 . . 205 . . 109 TYR N . 18827 1
602 . 1 1 112 112 SER H H 1 9.107 0.004 . 1 . . 143 . . 110 SER H . 18827 1
603 . 1 1 112 112 SER HA H 1 4.647 0.0 . 1 . . 538 . . 110 SER HA . 18827 1
604 . 1 1 112 112 SER C C 13 173.430 0.064 . 1 . . 272 . . 110 SER C . 18827 1
605 . 1 1 112 112 SER CA C 13 56.019 0.012 . 1 . . 271 . . 110 SER CA . 18827 1
606 . 1 1 112 112 SER CB C 13 65.815 0.035 . 1 . . 443 . . 110 SER CB . 18827 1
607 . 1 1 112 112 SER N N 15 113.127 0.022 . 1 . . 142 . . 110 SER N . 18827 1
608 . 1 1 113 113 GLY H H 1 8.353 0.006 . 1 . . 81 . . 111 GLY H . 18827 1
609 . 1 1 113 113 GLY HA3 H 1 3.828 0.0 . 1 . . 637 . . 111 GLY HA3 . 18827 1
610 . 1 1 113 113 GLY C C 13 173.318 0.003 . 1 . . 433 . . 111 GLY C . 18827 1
611 . 1 1 113 113 GLY CA C 13 45.598 0.003 . 1 . . 365 . . 111 GLY CA . 18827 1
612 . 1 1 113 113 GLY N N 15 109.808 0.024 . 1 . . 80 . . 111 GLY N . 18827 1
613 . 1 1 114 114 GLU H H 1 8.398 0.005 . 1 . . 204 . . 112 GLU H . 18827 1
614 . 1 1 114 114 GLU HA H 1 4.569 0.0 . 1 . . 539 . . 112 GLU HA . 18827 1
615 . 1 1 114 114 GLU C C 13 174.539 0.004 . 1 . . 356 . . 112 GLU C . 18827 1
616 . 1 1 114 114 GLU CA C 13 55.150 0.011 . 1 . . 355 . . 112 GLU CA . 18827 1
617 . 1 1 114 114 GLU CB C 13 32.692 0.01 . 1 . . 442 . . 112 GLU CB . 18827 1
618 . 1 1 114 114 GLU N N 15 118.730 0.052 . 1 . . 203 . . 112 GLU N . 18827 1
619 . 1 1 115 115 ASN H H 1 8.136 0.002 . 1 . . 194 . . 113 ASN H . 18827 1
620 . 1 1 115 115 ASN HA H 1 3.812 0.0 . 1 . . 540 . . 113 ASN HA . 18827 1
621 . 1 1 115 115 ASN C C 13 175.432 0.006 . 1 . . 349 . . 113 ASN C . 18827 1
622 . 1 1 115 115 ASN CA C 13 52.038 0.011 . 1 . . 350 . . 113 ASN CA . 18827 1
623 . 1 1 115 115 ASN CB C 13 36.766 0.014 . 1 . . 440 . . 113 ASN CB . 18827 1
624 . 1 1 115 115 ASN N N 15 117.801 0.023 . 1 . . 193 . . 113 ASN N . 18827 1
625 . 1 1 116 116 THR H H 1 7.523 0.003 . 1 . . 187 . . 114 THR H . 18827 1
626 . 1 1 116 116 THR HA H 1 4.035 0.0 . 1 . . 541 . . 114 THR HA . 18827 1
627 . 1 1 116 116 THR C C 13 173.491 0.005 . 1 . . 291 . . 114 THR C . 18827 1
628 . 1 1 116 116 THR CA C 13 61.936 0.01 . 1 . . 292 . . 114 THR CA . 18827 1
629 . 1 1 116 116 THR CB C 13 70.066 0.026 . 1 . . 441 . . 114 THR CB . 18827 1
630 . 1 1 116 116 THR N N 15 113.971 0.016 . 1 . . 186 . . 114 THR N . 18827 1
631 . 1 1 117 117 PHE H H 1 7.784 0.004 . 1 . . 107 . . 115 PHE H . 18827 1
632 . 1 1 117 117 PHE HA H 1 4.015 0.0 . 1 . . 542 . . 115 PHE HA . 18827 1
633 . 1 1 117 117 PHE C C 13 175.454 0.005 . 1 . . 281 . . 115 PHE C . 18827 1
634 . 1 1 117 117 PHE CA C 13 58.020 0.01 . 1 . . 282 . . 115 PHE CA . 18827 1
635 . 1 1 117 117 PHE CB C 13 39.269 0.001 . 1 . . 438 . . 115 PHE CB . 18827 1
636 . 1 1 117 117 PHE N N 15 121.977 0.028 . 1 . . 106 . . 115 PHE N . 18827 1
637 . 1 1 118 118 GLY H H 1 7.514 0.003 . 1 . . 93 . . 116 GLY H . 18827 1
638 . 1 1 118 118 GLY HA2 H 1 3.652 . . 1 . . 639 . . 116 GLY HA2 . 18827 1
639 . 1 1 118 118 GLY HA3 H 1 3.652 . . 1 . . 638 . . 116 GLY HA3 . 18827 1
640 . 1 1 118 118 GLY C C 13 172.693 0.003 . 1 . . 312 . . 116 GLY C . 18827 1
641 . 1 1 118 118 GLY CA C 13 45.402 0.008 . 1 . . 311 . . 116 GLY CA . 18827 1
642 . 1 1 118 118 GLY N N 15 109.788 0.018 . 1 . . 92 . . 116 GLY N . 18827 1
643 . 1 1 119 119 PHE H H 1 7.361 0.006 . 1 . . 185 . . 117 PHE H . 18827 1
644 . 1 1 119 119 PHE C C 13 180.281 0.01 . 1 . . 434 . . 117 PHE C . 18827 1
645 . 1 1 119 119 PHE CA C 13 58.893 0.002 . 1 . . 435 . . 117 PHE CA . 18827 1
646 . 1 1 119 119 PHE CB C 13 40.293 0.03 . 1 . . 439 . . 117 PHE CB . 18827 1
647 . 1 1 119 119 PHE N N 15 124.364 0.021 . 1 . . 184 . . 117 PHE N . 18827 1
stop_
save_