Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 50899
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'assigned chem shift list'
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_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 '3D HNCO' . . . 50899 1
2 '2 (HNcaCO)' . . . 50899 1
3 '3D HNCA' . . . 50899 1
4 '5 (H[N[co[{CA|ca[C]}]]])' . . . 50899 1
5 '3D HNCACB' . . . 50899 1
6 '7 (H[N[co[{CA|ca[C]}]]])' . . . 50899 1
7 '2D 1H-15N HSQC/HMQC' . . . 50899 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50899 1
2 $software_2 . . 50899 1
3 $software_3 . . 50899 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 4 4 GLU C C 13 177.702 . . 1 . . 895 . . 25 GLU C . 50899 1
2 . 1 . 1 4 4 GLU CA C 13 58.142 . . 1 . . 893 . . 25 GLU CA . 50899 1
3 . 1 . 1 4 4 GLU CB C 13 29.809 . . 1 . . 894 . . 25 GLU CB . 50899 1
4 . 1 . 1 5 5 LYS H H 1 8.228 0.001 . 1 . . 658 . . 26 LYS H . 50899 1
5 . 1 . 1 5 5 LYS C C 13 177.810 0.027 . 1 . . 660 . . 26 LYS C . 50899 1
6 . 1 . 1 5 5 LYS CA C 13 57.860 0.014 . 1 . . 662 . . 26 LYS CA . 50899 1
7 . 1 . 1 5 5 LYS CB C 13 32.718 0.019 . 1 . . 661 . . 26 LYS CB . 50899 1
8 . 1 . 1 5 5 LYS N N 15 121.390 0.019 . 1 . . 659 . . 26 LYS N . 50899 1
9 . 1 . 1 6 6 GLU H H 1 8.153 0.001 . 1 . . 121 . . 27 GLU H . 50899 1
10 . 1 . 1 6 6 GLU C C 13 178.763 0.007 . 1 . . 477 . . 27 GLU C . 50899 1
11 . 1 . 1 6 6 GLU CA C 13 58.424 0.009 . 1 . . 479 . . 27 GLU CA . 50899 1
12 . 1 . 1 6 6 GLU CB C 13 30.177 0.037 . 1 . . 478 . . 27 GLU CB . 50899 1
13 . 1 . 1 6 6 GLU N N 15 119.695 0.009 . 1 . . 122 . . 27 GLU N . 50899 1
14 . 1 . 1 7 7 GLN H H 1 8.086 0.001 . 1 . . 53 . . 28 GLN H . 50899 1
15 . 1 . 1 7 7 GLN C C 13 176.648 0.005 . 1 . . 372 . . 28 GLN C . 50899 1
16 . 1 . 1 7 7 GLN CA C 13 58.047 0.0 . 1 . . 374 . . 28 GLN CA . 50899 1
17 . 1 . 1 7 7 GLN CB C 13 28.876 0.043 . 1 . . 373 . . 28 GLN CB . 50899 1
18 . 1 . 1 7 7 GLN N N 15 120.047 0.005 . 1 . . 54 . . 28 GLN N . 50899 1
19 . 1 . 1 8 8 GLN H H 1 8.019 0.001 . 1 . . 93 . . 29 GLN H . 50899 1
20 . 1 . 1 8 8 GLN C C 13 178.086 0.005 . 1 . . 433 . . 29 GLN C . 50899 1
21 . 1 . 1 8 8 GLN CA C 13 57.888 0.02 . 1 . . 435 . . 29 GLN CA . 50899 1
22 . 1 . 1 8 8 GLN CB C 13 28.563 0.012 . 1 . . 434 . . 29 GLN CB . 50899 1
23 . 1 . 1 8 8 GLN N N 15 119.541 0.004 . 1 . . 94 . . 29 GLN N . 50899 1
24 . 1 . 1 9 9 GLU H H 1 8.195 0.001 . 1 . . 111 . . 30 GLU H . 50899 1
25 . 1 . 1 9 9 GLU C C 13 177.480 0.005 . 1 . . 461 . . 30 GLU C . 50899 1
26 . 1 . 1 9 9 GLU CA C 13 58.208 0.006 . 1 . . 463 . . 30 GLU CA . 50899 1
27 . 1 . 1 9 9 GLU CB C 13 29.964 0.023 . 1 . . 462 . . 30 GLU CB . 50899 1
28 . 1 . 1 9 9 GLU N N 15 119.868 0.01 . 1 . . 112 . . 30 GLU N . 50899 1
29 . 1 . 1 10 10 ALA H H 1 7.824 0.001 . 1 . . 99 . . 31 ALA H . 50899 1
30 . 1 . 1 10 10 ALA C C 13 179.288 0.007 . 1 . . 442 . . 31 ALA C . 50899 1
31 . 1 . 1 10 10 ALA CA C 13 54.760 0.006 . 1 . . 444 . . 31 ALA CA . 50899 1
32 . 1 . 1 10 10 ALA CB C 13 18.435 0.01 . 1 . . 443 . . 31 ALA CB . 50899 1
33 . 1 . 1 10 10 ALA N N 15 121.757 0.015 . 1 . . 100 . . 31 ALA N . 50899 1
34 . 1 . 1 11 11 ILE H H 1 7.930 0.001 . 1 . . 239 . . 32 ILE H . 50899 1
35 . 1 . 1 11 11 ILE C C 13 177.339 0.007 . 1 . . 672 . . 32 ILE C . 50899 1
36 . 1 . 1 11 11 ILE CA C 13 63.831 0.015 . 1 . . 674 . . 32 ILE CA . 50899 1
37 . 1 . 1 11 11 ILE CB C 13 37.660 0.059 . 1 . . 673 . . 32 ILE CB . 50899 1
38 . 1 . 1 11 11 ILE N N 15 118.509 0.031 . 1 . . 240 . . 32 ILE N . 50899 1
39 . 1 . 1 12 12 GLU H H 1 7.806 0.001 . 1 . . 359 . . 33 GLU H . 50899 1
40 . 1 . 1 12 12 GLU C C 13 179.413 0.004 . 1 . . 776 . . 33 GLU C . 50899 1
41 . 1 . 1 12 12 GLU CA C 13 58.567 0.008 . 1 . . 771 . . 33 GLU CA . 50899 1
42 . 1 . 1 12 12 GLU CB C 13 29.403 0.036 . 1 . . 772 . . 33 GLU CB . 50899 1
43 . 1 . 1 12 12 GLU N N 15 120.421 0.011 . 1 . . 360 . . 33 GLU N . 50899 1
44 . 1 . 1 13 13 HIS H H 1 8.220 0.001 . 1 . . 209 . . 34 HIS H . 50899 1
45 . 1 . 1 13 13 HIS C C 13 178.048 0.009 . 1 . . 620 . . 34 HIS C . 50899 1
46 . 1 . 1 13 13 HIS CA C 13 57.262 0.007 . 1 . . 622 . . 34 HIS CA . 50899 1
47 . 1 . 1 13 13 HIS CB C 13 31.129 0.025 . 1 . . 621 . . 34 HIS CB . 50899 1
48 . 1 . 1 13 13 HIS N N 15 118.564 0.012 . 1 . . 210 . . 34 HIS N . 50899 1
49 . 1 . 1 14 14 ILE H H 1 8.710 0.001 . 1 . . 79 . . 35 ILE H . 50899 1
50 . 1 . 1 14 14 ILE C C 13 176.581 0.006 . 1 . . 413 . . 35 ILE C . 50899 1
51 . 1 . 1 14 14 ILE CA C 13 65.411 0.006 . 1 . . 415 . . 35 ILE CA . 50899 1
52 . 1 . 1 14 14 ILE CB C 13 37.716 0.059 . 1 . . 414 . . 35 ILE CB . 50899 1
53 . 1 . 1 14 14 ILE N N 15 123.724 0.011 . 1 . . 80 . . 35 ILE N . 50899 1
54 . 1 . 1 15 15 ASP H H 1 8.282 0.001 . 1 . . 113 . . 36 ASP H . 50899 1
55 . 1 . 1 15 15 ASP C C 13 177.718 0.009 . 1 . . 464 . . 36 ASP C . 50899 1
56 . 1 . 1 15 15 ASP CA C 13 57.079 0.004 . 1 . . 466 . . 36 ASP CA . 50899 1
57 . 1 . 1 15 15 ASP CB C 13 41.985 0.04 . 1 . . 465 . . 36 ASP CB . 50899 1
58 . 1 . 1 15 15 ASP N N 15 122.008 0.012 . 1 . . 114 . . 36 ASP N . 50899 1
59 . 1 . 1 16 16 GLU H H 1 7.687 0.001 . 1 . . 251 . . 37 GLU H . 50899 1
60 . 1 . 1 16 16 GLU C C 13 179.133 0.003 . 1 . . 706 . . 37 GLU C . 50899 1
61 . 1 . 1 16 16 GLU CA C 13 59.002 0.004 . 1 . . 708 . . 37 GLU CA . 50899 1
62 . 1 . 1 16 16 GLU CB C 13 30.003 0.033 . 1 . . 707 . . 37 GLU CB . 50899 1
63 . 1 . 1 16 16 GLU N N 15 118.436 0.018 . 1 . . 252 . . 37 GLU N . 50899 1
64 . 1 . 1 17 17 VAL H H 1 7.863 0.001 . 1 . . 27 . . 38 VAL H . 50899 1
65 . 1 . 1 17 17 VAL C C 13 177.539 0.01 . 1 . . 328 . . 38 VAL C . 50899 1
66 . 1 . 1 17 17 VAL CA C 13 65.264 . . 1 . . 898 . . 38 VAL CA . 50899 1
67 . 1 . 1 17 17 VAL CB C 13 31.942 0.033 . 1 . . 329 . . 38 VAL CB . 50899 1
68 . 1 . 1 17 17 VAL N N 15 120.201 0.005 . 1 . . 28 . . 38 VAL N . 50899 1
69 . 1 . 1 18 18 GLN H H 1 8.835 0.001 . 1 . . 633 . . 39 GLN H . 50899 1
70 . 1 . 1 18 18 GLN C C 13 177.919 0.002 . 1 . . 635 . . 39 GLN C . 50899 1
71 . 1 . 1 18 18 GLN CA C 13 57.791 0.001 . 1 . . 637 . . 39 GLN CA . 50899 1
72 . 1 . 1 18 18 GLN CB C 13 27.957 0.007 . 1 . . 636 . . 39 GLN CB . 50899 1
73 . 1 . 1 18 18 GLN N N 15 120.871 0.013 . 1 . . 634 . . 39 GLN N . 50899 1
74 . 1 . 1 19 19 ASN H H 1 8.232 0.001 . 1 . . 127 . . 40 ASN H . 50899 1
75 . 1 . 1 19 19 ASN C C 13 177.437 0.001 . 1 . . 486 . . 40 ASN C . 50899 1
76 . 1 . 1 19 19 ASN CA C 13 55.874 0.008 . 1 . . 488 . . 40 ASN CA . 50899 1
77 . 1 . 1 19 19 ASN CB C 13 38.956 0.041 . 1 . . 487 . . 40 ASN CB . 50899 1
78 . 1 . 1 19 19 ASN N N 15 119.009 0.018 . 1 . . 128 . . 40 ASN N . 50899 1
79 . 1 . 1 20 20 GLU H H 1 7.514 0.001 . 1 . . 71 . . 41 GLU H . 50899 1
80 . 1 . 1 20 20 GLU C C 13 179.241 0.027 . 1 . . 401 . . 41 GLU C . 50899 1
81 . 1 . 1 20 20 GLU CA C 13 58.337 0.007 . 1 . . 403 . . 41 GLU CA . 50899 1
82 . 1 . 1 20 20 GLU CB C 13 28.783 0.028 . 1 . . 402 . . 41 GLU CB . 50899 1
83 . 1 . 1 20 20 GLU N N 15 120.103 0.011 . 1 . . 72 . . 41 GLU N . 50899 1
84 . 1 . 1 21 21 ILE H H 1 7.775 0.001 . 1 . . 151 . . 42 ILE H . 50899 1
85 . 1 . 1 21 21 ILE C C 13 176.929 0.008 . 1 . . 523 . . 42 ILE C . 50899 1
86 . 1 . 1 21 21 ILE CA C 13 65.347 0.009 . 1 . . 525 . . 42 ILE CA . 50899 1
87 . 1 . 1 21 21 ILE CB C 13 38.058 0.05 . 1 . . 524 . . 42 ILE CB . 50899 1
88 . 1 . 1 21 21 ILE N N 15 121.836 0.012 . 1 . . 152 . . 42 ILE N . 50899 1
89 . 1 . 1 22 22 ASP H H 1 8.460 0.002 . 1 . . 556 . . 43 ASP H . 50899 1
90 . 1 . 1 22 22 ASP C C 13 178.977 0.005 . 1 . . 558 . . 43 ASP C . 50899 1
91 . 1 . 1 22 22 ASP CA C 13 57.111 0.019 . 1 . . 841 . . 43 ASP CA . 50899 1
92 . 1 . 1 22 22 ASP CB C 13 40.747 0.041 . 1 . . 842 . . 43 ASP CB . 50899 1
93 . 1 . 1 22 22 ASP N N 15 120.842 0.032 . 1 . . 557 . . 43 ASP N . 50899 1
94 . 1 . 1 23 23 ARG H H 1 7.897 0.001 . 1 . . 273 . . 44 ARG H . 50899 1
95 . 1 . 1 23 23 ARG C C 13 179.299 0.005 . 1 . . 742 . . 44 ARG C . 50899 1
96 . 1 . 1 23 23 ARG CA C 13 58.623 0.026 . 1 . . 744 . . 44 ARG CA . 50899 1
97 . 1 . 1 23 23 ARG CB C 13 30.382 0.037 . 1 . . 743 . . 44 ARG CB . 50899 1
98 . 1 . 1 23 23 ARG N N 15 120.366 0.032 . 1 . . 274 . . 44 ARG N . 50899 1
99 . 1 . 1 24 24 LEU H H 1 7.769 0.001 . 1 . . 526 . . 45 LEU H . 50899 1
100 . 1 . 1 24 24 LEU C C 13 178.328 0.001 . 1 . . 528 . . 45 LEU C . 50899 1
101 . 1 . 1 24 24 LEU CA C 13 57.378 0.006 . 1 . . 530 . . 45 LEU CA . 50899 1
102 . 1 . 1 24 24 LEU CB C 13 42.493 0.05 . 1 . . 529 . . 45 LEU CB . 50899 1
103 . 1 . 1 24 24 LEU N N 15 121.860 0.011 . 1 . . 527 . . 45 LEU N . 50899 1
104 . 1 . 1 25 25 ASN H H 1 8.612 0.001 . 1 . . 77 . . 46 ASN H . 50899 1
105 . 1 . 1 25 25 ASN C C 13 178.355 0.001 . 1 . . 410 . . 46 ASN C . 50899 1
106 . 1 . 1 25 25 ASN CA C 13 55.012 0.004 . 1 . . 412 . . 46 ASN CA . 50899 1
107 . 1 . 1 25 25 ASN CB C 13 37.571 0.037 . 1 . . 411 . . 46 ASN CB . 50899 1
108 . 1 . 1 25 25 ASN N N 15 119.242 0.005 . 1 . . 78 . . 46 ASN N . 50899 1
109 . 1 . 1 26 26 GLU H H 1 8.097 0.001 . 1 . . 145 . . 47 GLU H . 50899 1
110 . 1 . 1 26 26 GLU C C 13 178.918 0.008 . 1 . . 514 . . 47 GLU C . 50899 1
111 . 1 . 1 26 26 GLU CA C 13 58.612 0.003 . 1 . . 516 . . 47 GLU CA . 50899 1
112 . 1 . 1 26 26 GLU CB C 13 29.777 0.022 . 1 . . 515 . . 47 GLU CB . 50899 1
113 . 1 . 1 26 26 GLU N N 15 122.857 0.013 . 1 . . 146 . . 47 GLU N . 50899 1
114 . 1 . 1 27 27 GLN H H 1 7.996 0.001 . 1 . . 865 . . 48 GLN H . 50899 1
115 . 1 . 1 27 27 GLN C C 13 178.437 0.003 . 1 . . 869 . . 48 GLN C . 50899 1
116 . 1 . 1 27 27 GLN CA C 13 58.415 0.021 . 1 . . 867 . . 48 GLN CA . 50899 1
117 . 1 . 1 27 27 GLN CB C 13 28.725 0.021 . 1 . . 868 . . 48 GLN CB . 50899 1
118 . 1 . 1 27 27 GLN N N 15 121.579 0.008 . 1 . . 866 . . 48 GLN N . 50899 1
119 . 1 . 1 28 28 ALA H H 1 8.170 0.001 . 1 . . 267 . . 49 ALA H . 50899 1
120 . 1 . 1 28 28 ALA C C 13 178.851 0.008 . 1 . . 731 . . 49 ALA C . 50899 1
121 . 1 . 1 28 28 ALA CA C 13 54.731 0.002 . 1 . . 733 . . 49 ALA CA . 50899 1
122 . 1 . 1 28 28 ALA CB C 13 18.062 0.036 . 1 . . 732 . . 49 ALA CB . 50899 1
123 . 1 . 1 28 28 ALA N N 15 123.944 0.032 . 1 . . 268 . . 49 ALA N . 50899 1
124 . 1 . 1 29 29 SER H H 1 7.767 0.001 . 1 . . 59 . . 50 SER H . 50899 1
125 . 1 . 1 29 29 SER C C 13 178.866 . . 1 . . 381 . . 50 SER C . 50899 1
126 . 1 . 1 29 29 SER CA C 13 61.270 0.01 . 1 . . 383 . . 50 SER CA . 50899 1
127 . 1 . 1 29 29 SER CB C 13 63.748 0.085 . 1 . . 382 . . 50 SER CB . 50899 1
128 . 1 . 1 29 29 SER N N 15 112.371 0.014 . 1 . . 60 . . 50 SER N . 50899 1
129 . 1 . 1 30 30 GLU H H 1 7.836 0.001 . 1 . . 91 . . 51 GLU H . 50899 1
130 . 1 . 1 30 30 GLU C C 13 178.241 0.008 . 1 . . 430 . . 51 GLU C . 50899 1
131 . 1 . 1 30 30 GLU CA C 13 58.630 0.007 . 1 . . 432 . . 51 GLU CA . 50899 1
132 . 1 . 1 30 30 GLU CB C 13 29.831 0.03 . 1 . . 431 . . 51 GLU CB . 50899 1
133 . 1 . 1 30 30 GLU N N 15 122.636 0.005 . 1 . . 92 . . 51 GLU N . 50899 1
134 . 1 . 1 31 31 GLU H H 1 8.145 0.001 . 1 . . 543 . . 52 GLU H . 50899 1
135 . 1 . 1 31 31 GLU C C 13 179.536 0.001 . 1 . . 544 . . 52 GLU C . 50899 1
136 . 1 . 1 31 31 GLU CA C 13 60.259 0.005 . 1 . . 546 . . 52 GLU CA . 50899 1
137 . 1 . 1 31 31 GLU CB C 13 30.027 0.06 . 1 . . 545 . . 52 GLU CB . 50899 1
138 . 1 . 1 31 31 GLU N N 15 120.859 0.013 . 1 . . 542 . . 52 GLU N . 50899 1
139 . 1 . 1 32 32 ILE H H 1 8.524 0.001 . 1 . . 95 . . 53 ILE H . 50899 1
140 . 1 . 1 32 32 ILE C C 13 177.371 0.009 . 1 . . 436 . . 53 ILE C . 50899 1
141 . 1 . 1 32 32 ILE CA C 13 65.644 0.007 . 1 . . 438 . . 53 ILE CA . 50899 1
142 . 1 . 1 32 32 ILE CB C 13 38.319 0.048 . 1 . . 437 . . 53 ILE CB . 50899 1
143 . 1 . 1 32 32 ILE N N 15 121.643 0.027 . 1 . . 96 . . 53 ILE N . 50899 1
144 . 1 . 1 33 33 LEU H H 1 8.004 0.001 . 1 . . 863 . . 54 LEU H . 50899 1
145 . 1 . 1 33 33 LEU C C 13 179.186 0.018 . 1 . . 872 . . 54 LEU C . 50899 1
146 . 1 . 1 33 33 LEU CA C 13 57.475 0.006 . 1 . . 871 . . 54 LEU CA . 50899 1
147 . 1 . 1 33 33 LEU CB C 13 41.565 0.06 . 1 . . 870 . . 54 LEU CB . 50899 1
148 . 1 . 1 33 33 LEU N N 15 121.833 0.008 . 1 . . 864 . . 54 LEU N . 50899 1
149 . 1 . 1 34 34 LYS H H 1 7.918 0.001 . 1 . . 265 . . 55 LYS H . 50899 1
150 . 1 . 1 34 34 LYS C C 13 180.301 0.01 . 1 . . 728 . . 55 LYS C . 50899 1
151 . 1 . 1 34 34 LYS CA C 13 59.017 0.001 . 1 . . 730 . . 55 LYS CA . 50899 1
152 . 1 . 1 34 34 LYS CB C 13 32.457 0.042 . 1 . . 729 . . 55 LYS CB . 50899 1
153 . 1 . 1 34 34 LYS N N 15 118.112 0.011 . 1 . . 266 . . 55 LYS N . 50899 1
154 . 1 . 1 35 35 VAL H H 1 7.993 0.001 . 1 . . 348 . . 56 VAL H . 50899 1
155 . 1 . 1 35 35 VAL C C 13 177.944 0.003 . 1 . . 350 . . 56 VAL C . 50899 1
156 . 1 . 1 35 35 VAL CA C 13 66.707 0.011 . 1 . . 352 . . 56 VAL CA . 50899 1
157 . 1 . 1 35 35 VAL CB C 13 32.014 0.013 . 1 . . 351 . . 56 VAL CB . 50899 1
158 . 1 . 1 35 35 VAL N N 15 123.342 0.024 . 1 . . 349 . . 56 VAL N . 50899 1
159 . 1 . 1 36 36 GLU H H 1 8.523 0.002 . 1 . . 55 . . 57 GLU H . 50899 1
160 . 1 . 1 36 36 GLU C C 13 180.193 0.0 . 1 . . 375 . . 57 GLU C . 50899 1
161 . 1 . 1 36 36 GLU CA C 13 59.441 0.005 . 1 . . 377 . . 57 GLU CA . 50899 1
162 . 1 . 1 36 36 GLU CB C 13 29.701 0.027 . 1 . . 376 . . 57 GLU CB . 50899 1
163 . 1 . 1 36 36 GLU N N 15 120.525 0.016 . 1 . . 56 . . 57 GLU N . 50899 1
164 . 1 . 1 37 37 GLN H H 1 8.851 0.001 . 1 . . 89 . . 58 GLN H . 50899 1
165 . 1 . 1 37 37 GLN C C 13 178.444 0.0 . 1 . . 427 . . 58 GLN C . 50899 1
166 . 1 . 1 37 37 GLN CA C 13 58.547 0.009 . 1 . . 429 . . 58 GLN CA . 50899 1
167 . 1 . 1 37 37 GLN CB C 13 29.004 0.043 . 1 . . 428 . . 58 GLN CB . 50899 1
168 . 1 . 1 37 37 GLN N N 15 119.023 0.016 . 1 . . 90 . . 58 GLN N . 50899 1
169 . 1 . 1 38 38 LYS H H 1 8.045 0.001 . 1 . . 5 . . 59 LYS H . 50899 1
170 . 1 . 1 38 38 LYS C C 13 179.210 0.003 . 1 . . 299 . . 59 LYS C . 50899 1
171 . 1 . 1 38 38 LYS CA C 13 58.717 0.021 . 1 . . 297 . . 59 LYS CA . 50899 1
172 . 1 . 1 38 38 LYS CB C 13 32.278 0.037 . 1 . . 298 . . 59 LYS CB . 50899 1
173 . 1 . 1 38 38 LYS N N 15 122.558 0.024 . 1 . . 6 . . 59 LYS N . 50899 1
174 . 1 . 1 39 39 TYR H H 1 8.458 0.002 . 1 . . 131 . . 60 TYR H . 50899 1
175 . 1 . 1 39 39 TYR C C 13 177.666 0.007 . 1 . . 492 . . 60 TYR C . 50899 1
176 . 1 . 1 39 39 TYR CA C 13 63.135 0.001 . 1 . . 494 . . 60 TYR CA . 50899 1
177 . 1 . 1 39 39 TYR CB C 13 38.373 0.037 . 1 . . 493 . . 60 TYR CB . 50899 1
178 . 1 . 1 39 39 TYR N N 15 117.103 0.03 . 1 . . 132 . . 60 TYR N . 50899 1
179 . 1 . 1 40 40 ASN H H 1 8.683 0.002 . 1 . . 119 . . 61 ASN H . 50899 1
180 . 1 . 1 40 40 ASN C C 13 177.977 0.008 . 1 . . 476 . . 61 ASN C . 50899 1
181 . 1 . 1 40 40 ASN CA C 13 56.213 0.011 . 1 . . 474 . . 61 ASN CA . 50899 1
182 . 1 . 1 40 40 ASN CB C 13 38.689 0.062 . 1 . . 475 . . 61 ASN CB . 50899 1
183 . 1 . 1 40 40 ASN N N 15 121.927 0.031 . 1 . . 120 . . 61 ASN N . 50899 1
184 . 1 . 1 41 41 LYS H H 1 7.516 0.001 . 1 . . 590 . . 62 LYS H . 50899 1
185 . 1 . 1 41 41 LYS C C 13 179.498 0.009 . 1 . . 592 . . 62 LYS C . 50899 1
186 . 1 . 1 41 41 LYS CA C 13 58.509 0.001 . 1 . . 594 . . 62 LYS CA . 50899 1
187 . 1 . 1 41 41 LYS CB C 13 32.312 0.025 . 1 . . 593 . . 62 LYS CB . 50899 1
188 . 1 . 1 41 41 LYS N N 15 118.839 0.023 . 1 . . 591 . . 62 LYS N . 50899 1
189 . 1 . 1 42 42 LEU H H 1 7.723 0.001 . 1 . . 197 . . 63 LEU H . 50899 1
190 . 1 . 1 42 42 LEU C C 13 178.683 0.005 . 1 . . 605 . . 63 LEU C . 50899 1
191 . 1 . 1 42 42 LEU CA C 13 56.485 0.0 . 1 . . 607 . . 63 LEU CA . 50899 1
192 . 1 . 1 42 42 LEU CB C 13 42.712 0.031 . 1 . . 606 . . 63 LEU CB . 50899 1
193 . 1 . 1 42 42 LEU N N 15 118.777 0.015 . 1 . . 198 . . 63 LEU N . 50899 1
194 . 1 . 1 43 43 ARG H H 1 8.376 0.001 . 1 . . 139 . . 64 ARG H . 50899 1
195 . 1 . 1 43 43 ARG C C 13 177.990 0.004 . 1 . . 505 . . 64 ARG C . 50899 1
196 . 1 . 1 43 43 ARG CA C 13 58.585 0.005 . 1 . . 507 . . 64 ARG CA . 50899 1
197 . 1 . 1 43 43 ARG CB C 13 32.107 0.018 . 1 . . 506 . . 64 ARG CB . 50899 1
198 . 1 . 1 43 43 ARG N N 15 115.397 0.008 . 1 . . 140 . . 64 ARG N . 50899 1
199 . 1 . 1 44 44 GLN H H 1 7.564 0.001 . 1 . . 175 . . 65 GLN H . 50899 1
200 . 1 . 1 44 44 GLN C C 13 174.519 . . 1 . . 875 . . 65 GLN C . 50899 1
201 . 1 . 1 44 44 GLN CA C 13 60.792 . . 1 . . 873 . . 65 GLN CA . 50899 1
202 . 1 . 1 44 44 GLN CB C 13 26.475 . . 1 . . 874 . . 65 GLN CB . 50899 1
203 . 1 . 1 44 44 GLN N N 15 118.818 0.011 . 1 . . 176 . . 65 GLN N . 50899 1
204 . 1 . 1 45 45 PRO C C 13 179.563 . . 1 . . 814 . . 66 PRO C . 50899 1
205 . 1 . 1 45 45 PRO CA C 13 64.963 . . 1 . . 812 . . 66 PRO CA . 50899 1
206 . 1 . 1 45 45 PRO CB C 13 31.315 . . 1 . . 813 . . 66 PRO CB . 50899 1
207 . 1 . 1 46 46 PHE H H 1 7.246 0.0 . 1 . . 123 . . 67 PHE H . 50899 1
208 . 1 . 1 46 46 PHE C C 13 177.821 0.005 . 1 . . 480 . . 67 PHE C . 50899 1
209 . 1 . 1 46 46 PHE CA C 13 60.962 0.014 . 1 . . 482 . . 67 PHE CA . 50899 1
210 . 1 . 1 46 46 PHE CB C 13 39.359 0.06 . 1 . . 481 . . 67 PHE CB . 50899 1
211 . 1 . 1 46 46 PHE N N 15 116.573 0.005 . 1 . . 124 . . 67 PHE N . 50899 1
212 . 1 . 1 47 47 PHE H H 1 8.131 0.001 . 1 . . 261 . . 68 PHE H . 50899 1
213 . 1 . 1 47 47 PHE C C 13 179.419 0.035 . 1 . . 722 . . 68 PHE C . 50899 1
214 . 1 . 1 47 47 PHE CA C 13 60.848 0.019 . 1 . . 724 . . 68 PHE CA . 50899 1
215 . 1 . 1 47 47 PHE CB C 13 38.904 0.053 . 1 . . 723 . . 68 PHE CB . 50899 1
216 . 1 . 1 47 47 PHE N N 15 120.435 0.022 . 1 . . 262 . . 68 PHE N . 50899 1
217 . 1 . 1 48 48 GLN H H 1 8.542 0.001 . 1 . . 681 . . 69 GLN H . 50899 1
218 . 1 . 1 48 48 GLN C C 13 178.340 0.004 . 1 . . 683 . . 69 GLN C . 50899 1
219 . 1 . 1 48 48 GLN CA C 13 58.658 0.0 . 1 . . 685 . . 69 GLN CA . 50899 1
220 . 1 . 1 48 48 GLN CB C 13 28.382 0.031 . 1 . . 684 . . 69 GLN CB . 50899 1
221 . 1 . 1 48 48 GLN N N 15 121.347 0.012 . 1 . . 682 . . 69 GLN N . 50899 1
222 . 1 . 1 49 49 LYS H H 1 7.937 0.001 . 1 . . 75 . . 70 LYS H . 50899 1
223 . 1 . 1 49 49 LYS C C 13 178.397 0.003 . 1 . . 407 . . 70 LYS C . 50899 1
224 . 1 . 1 49 49 LYS CA C 13 58.057 0.001 . 1 . . 409 . . 70 LYS CA . 50899 1
225 . 1 . 1 49 49 LYS CB C 13 32.247 0.023 . 1 . . 408 . . 70 LYS CB . 50899 1
226 . 1 . 1 49 49 LYS N N 15 121.774 0.017 . 1 . . 76 . . 70 LYS N . 50899 1
227 . 1 . 1 50 50 ARG H H 1 8.629 0.002 . 1 . . 263 . . 71 ARG H . 50899 1
228 . 1 . 1 50 50 ARG C C 13 177.407 0.01 . 1 . . 725 . . 71 ARG C . 50899 1
229 . 1 . 1 50 50 ARG CA C 13 59.573 0.003 . 1 . . 727 . . 71 ARG CA . 50899 1
230 . 1 . 1 50 50 ARG CB C 13 30.909 0.007 . 1 . . 726 . . 71 ARG CB . 50899 1
231 . 1 . 1 50 50 ARG N N 15 118.942 0.037 . 1 . . 264 . . 71 ARG N . 50899 1
232 . 1 . 1 51 51 SER H H 1 8.401 0.002 . 1 . . 570 . . 72 SER H . 50899 1
233 . 1 . 1 51 51 SER C C 13 176.291 . . 1 . . 811 . . 72 SER C . 50899 1
234 . 1 . 1 51 51 SER CA C 13 61.839 0.0 . 1 . . 573 . . 72 SER CA . 50899 1
235 . 1 . 1 51 51 SER CB C 13 63.964 0.018 . 1 . . 572 . . 72 SER CB . 50899 1
236 . 1 . 1 51 51 SER N N 15 116.196 0.039 . 1 . . 571 . . 72 SER N . 50899 1
237 . 1 . 1 52 52 GLU H H 1 7.662 0.001 . 1 . . 279 . . 73 GLU H . 50899 1
238 . 1 . 1 52 52 GLU C C 13 178.103 0.014 . 1 . . 751 . . 73 GLU C . 50899 1
239 . 1 . 1 52 52 GLU CA C 13 58.414 0.006 . 1 . . 753 . . 73 GLU CA . 50899 1
240 . 1 . 1 52 52 GLU CB C 13 29.736 0.037 . 1 . . 752 . . 73 GLU CB . 50899 1
241 . 1 . 1 52 52 GLU N N 15 122.842 0.032 . 1 . . 280 . . 73 GLU N . 50899 1
242 . 1 . 1 53 53 LEU H H 1 7.584 0.002 . 1 . . 161 . . 74 LEU H . 50899 1
243 . 1 . 1 53 53 LEU C C 13 178.985 0.01 . 1 . . 551 . . 74 LEU C . 50899 1
244 . 1 . 1 53 53 LEU CA C 13 56.676 0.004 . 1 . . 552 . . 74 LEU CA . 50899 1
245 . 1 . 1 53 53 LEU CB C 13 43.168 0.012 . 1 . . 809 . . 74 LEU CB . 50899 1
246 . 1 . 1 53 53 LEU N N 15 119.748 0.009 . 1 . . 162 . . 74 LEU N . 50899 1
247 . 1 . 1 54 54 ILE H H 1 8.348 0.001 . 1 . . 701 . . 75 ILE H . 50899 1
248 . 1 . 1 54 54 ILE C C 13 177.105 0.008 . 1 . . 703 . . 75 ILE C . 50899 1
249 . 1 . 1 54 54 ILE CA C 13 64.489 0.003 . 1 . . 705 . . 75 ILE CA . 50899 1
250 . 1 . 1 54 54 ILE CB C 13 37.971 0.031 . 1 . . 704 . . 75 ILE CB . 50899 1
251 . 1 . 1 54 54 ILE N N 15 120.665 0.016 . 1 . . 702 . . 75 ILE N . 50899 1
252 . 1 . 1 55 55 ALA H H 1 7.245 0.001 . 1 . . 269 . . 76 ALA H . 50899 1
253 . 1 . 1 55 55 ALA C C 13 177.887 0.003 . 1 . . 734 . . 76 ALA C . 50899 1
254 . 1 . 1 55 55 ALA CA C 13 53.107 0.01 . 1 . . 735 . . 76 ALA CA . 50899 1
255 . 1 . 1 55 55 ALA CB C 13 18.637 0.065 . 1 . . 810 . . 76 ALA CB . 50899 1
256 . 1 . 1 55 55 ALA N N 15 119.159 0.027 . 1 . . 270 . . 76 ALA N . 50899 1
257 . 1 . 1 56 56 LYS H H 1 7.344 0.001 . 1 . . 67 . . 77 LYS H . 50899 1
258 . 1 . 1 56 56 LYS C C 13 175.300 0.012 . 1 . . 395 . . 77 LYS C . 50899 1
259 . 1 . 1 56 56 LYS CA C 13 55.520 0.006 . 1 . . 397 . . 77 LYS CA . 50899 1
260 . 1 . 1 56 56 LYS CB C 13 32.898 0.036 . 1 . . 396 . . 77 LYS CB . 50899 1
261 . 1 . 1 56 56 LYS N N 15 115.649 0.019 . 1 . . 68 . . 77 LYS N . 50899 1
262 . 1 . 1 57 57 ILE H H 1 7.894 0.001 . 1 . . 287 . . 78 ILE H . 50899 1
263 . 1 . 1 57 57 ILE C C 13 172.808 . . 1 . . 762 . . 78 ILE C . 50899 1
264 . 1 . 1 57 57 ILE CA C 13 57.453 . . 1 . . 764 . . 78 ILE CA . 50899 1
265 . 1 . 1 57 57 ILE CB C 13 38.439 . . 1 . . 763 . . 78 ILE CB . 50899 1
266 . 1 . 1 57 57 ILE N N 15 121.652 0.01 . 1 . . 288 . . 78 ILE N . 50899 1
267 . 1 . 1 58 58 PRO C C 13 176.990 . . 1 . . 827 . . 79 PRO C . 50899 1
268 . 1 . 1 58 58 PRO CA C 13 62.816 . . 1 . . 825 . . 79 PRO CA . 50899 1
269 . 1 . 1 58 58 PRO CB C 13 32.309 . . 1 . . 826 . . 79 PRO CB . 50899 1
270 . 1 . 1 59 59 ASN H H 1 9.241 0.002 . 1 . . 227 . . 80 ASN H . 50899 1
271 . 1 . 1 59 59 ASN C C 13 175.392 0.001 . 1 . . 649 . . 80 ASN C . 50899 1
272 . 1 . 1 59 59 ASN CA C 13 53.404 0.006 . 1 . . 651 . . 80 ASN CA . 50899 1
273 . 1 . 1 59 59 ASN CB C 13 37.490 0.039 . 1 . . 650 . . 80 ASN CB . 50899 1
274 . 1 . 1 59 59 ASN N N 15 115.527 0.006 . 1 . . 228 . . 80 ASN N . 50899 1
275 . 1 . 1 60 60 PHE H H 1 7.664 0.001 . 1 . . 259 . . 81 PHE H . 50899 1
276 . 1 . 1 60 60 PHE C C 13 177.809 0.008 . 1 . . 719 . . 81 PHE C . 50899 1
277 . 1 . 1 60 60 PHE CA C 13 61.556 0.003 . 1 . . 721 . . 81 PHE CA . 50899 1
278 . 1 . 1 60 60 PHE CB C 13 40.330 0.076 . 1 . . 720 . . 81 PHE CB . 50899 1
279 . 1 . 1 60 60 PHE N N 15 122.012 0.018 . 1 . . 260 . . 81 PHE N . 50899 1
280 . 1 . 1 61 61 TRP H H 1 9.161 0.004 . 1 . . 41 . . 82 TRP H . 50899 1
281 . 1 . 1 61 61 TRP C C 13 177.675 0.026 . 1 . . 356 . . 82 TRP C . 50899 1
282 . 1 . 1 61 61 TRP CA C 13 60.416 0.001 . 1 . . 357 . . 82 TRP CA . 50899 1
283 . 1 . 1 61 61 TRP CB C 13 29.526 . . 1 . . 358 . . 82 TRP CB . 50899 1
284 . 1 . 1 61 61 TRP N N 15 120.136 0.012 . 1 . . 42 . . 82 TRP N . 50899 1
285 . 1 . 1 62 62 VAL H H 1 8.739 0.003 . 1 . . 215 . . 83 VAL H . 50899 1
286 . 1 . 1 62 62 VAL C C 13 174.757 0.002 . 1 . . 629 . . 83 VAL C . 50899 1
287 . 1 . 1 62 62 VAL CA C 13 65.003 0.003 . 1 . . 822 . . 83 VAL CA . 50899 1
288 . 1 . 1 62 62 VAL CB C 13 30.174 0.056 . 1 . . 823 . . 83 VAL CB . 50899 1
289 . 1 . 1 62 62 VAL N N 15 119.179 0.032 . 1 . . 216 . . 83 VAL N . 50899 1
290 . 1 . 1 63 63 THR H H 1 7.283 0.002 . 1 . . 163 . . 84 THR H . 50899 1
291 . 1 . 1 63 63 THR C C 13 174.422 0.019 . 1 . . 553 . . 84 THR C . 50899 1
292 . 1 . 1 63 63 THR CA C 13 66.381 0.013 . 1 . . 555 . . 84 THR CA . 50899 1
293 . 1 . 1 63 63 THR CB C 13 69.224 0.016 . 1 . . 554 . . 84 THR CB . 50899 1
294 . 1 . 1 63 63 THR N N 15 118.971 0.045 . 1 . . 164 . . 84 THR N . 50899 1
295 . 1 . 1 64 64 THR H H 1 7.542 0.002 . 1 . . 155 . . 85 THR H . 50899 1
296 . 1 . 1 64 64 THR C C 13 174.530 . . 1 . . 829 . . 85 THR C . 50899 1
297 . 1 . 1 64 64 THR CA C 13 66.946 0.007 . 1 . . 535 . . 85 THR CA . 50899 1
298 . 1 . 1 64 64 THR CB C 13 68.926 0.066 . 1 . . 534 . . 85 THR CB . 50899 1
299 . 1 . 1 64 64 THR N N 15 117.686 0.022 . 1 . . 156 . . 85 THR N . 50899 1
300 . 1 . 1 65 65 PHE H H 1 7.941 0.001 . 1 . . 223 . . 86 PHE H . 50899 1
301 . 1 . 1 65 65 PHE C C 13 177.569 0.006 . 1 . . 644 . . 86 PHE C . 50899 1
302 . 1 . 1 65 65 PHE CA C 13 57.832 0.006 . 1 . . 646 . . 86 PHE CA . 50899 1
303 . 1 . 1 65 65 PHE CB C 13 38.129 0.043 . 1 . . 645 . . 86 PHE CB . 50899 1
304 . 1 . 1 65 65 PHE N N 15 117.638 0.01 . 1 . . 224 . . 86 PHE N . 50899 1
305 . 1 . 1 66 66 VAL H H 1 8.492 0.001 . 1 . . 183 . . 87 VAL H . 50899 1
306 . 1 . 1 66 66 VAL C C 13 176.666 0.001 . 1 . . 824 . . 87 VAL C . 50899 1
307 . 1 . 1 66 66 VAL CA C 13 64.642 0.008 . 1 . . 583 . . 87 VAL CA . 50899 1
308 . 1 . 1 66 66 VAL CB C 13 31.835 0.027 . 1 . . 828 . . 87 VAL CB . 50899 1
309 . 1 . 1 66 66 VAL N N 15 116.054 0.019 . 1 . . 184 . . 87 VAL N . 50899 1
310 . 1 . 1 67 67 ASN H H 1 7.546 0.001 . 1 . . 83 . . 88 ASN H . 50899 1
311 . 1 . 1 67 67 ASN C C 13 174.349 0.009 . 1 . . 418 . . 88 ASN C . 50899 1
312 . 1 . 1 67 67 ASN CA C 13 52.312 0.0 . 1 . . 420 . . 88 ASN CA . 50899 1
313 . 1 . 1 67 67 ASN CB C 13 39.598 0.048 . 1 . . 419 . . 88 ASN CB . 50899 1
314 . 1 . 1 67 67 ASN N N 15 117.014 0.006 . 1 . . 84 . . 88 ASN N . 50899 1
315 . 1 . 1 68 68 HIS H H 1 7.747 0.001 . 1 . . 271 . . 89 HIS H . 50899 1
316 . 1 . 1 68 68 HIS C C 13 174.915 . . 1 . . 736 . . 89 HIS C . 50899 1
317 . 1 . 1 68 68 HIS CA C 13 54.935 . . 1 . . 738 . . 89 HIS CA . 50899 1
318 . 1 . 1 68 68 HIS CB C 13 32.254 . . 1 . . 737 . . 89 HIS CB . 50899 1
319 . 1 . 1 68 68 HIS N N 15 125.416 0.008 . 1 . . 272 . . 89 HIS N . 50899 1
320 . 1 . 1 69 69 PRO C C 13 177.977 . . 1 . . 897 . . 90 PRO C . 50899 1
321 . 1 . 1 69 69 PRO CA C 13 64.617 . . 1 . . 789 . . 90 PRO CA . 50899 1
322 . 1 . 1 69 69 PRO CB C 13 32.753 . . 1 . . 896 . . 90 PRO CB . 50899 1
323 . 1 . 1 70 70 GLN H H 1 9.157 0.002 . 1 . . 45 . . 91 GLN H . 50899 1
324 . 1 . 1 70 70 GLN C C 13 177.489 0.006 . 1 . . 361 . . 91 GLN C . 50899 1
325 . 1 . 1 70 70 GLN CA C 13 56.941 0.005 . 1 . . 788 . . 91 GLN CA . 50899 1
326 . 1 . 1 70 70 GLN CB C 13 30.791 0.04 . 1 . . 362 . . 91 GLN CB . 50899 1
327 . 1 . 1 70 70 GLN N N 15 117.046 0.004 . 1 . . 46 . . 91 GLN N . 50899 1
328 . 1 . 1 71 71 VAL H H 1 8.294 0.002 . 1 . . 787 . . 92 VAL H . 50899 1
329 . 1 . 1 71 71 VAL C C 13 177.401 0.022 . 1 . . 792 . . 92 VAL C . 50899 1
330 . 1 . 1 71 71 VAL CA C 13 65.347 0.008 . 1 . . 790 . . 92 VAL CA . 50899 1
331 . 1 . 1 71 71 VAL CB C 13 30.861 0.074 . 1 . . 791 . . 92 VAL CB . 50899 1
332 . 1 . 1 71 71 VAL N N 15 120.374 0.013 . 1 . . 786 . . 92 VAL N . 50899 1
333 . 1 . 1 72 72 SER H H 1 8.302 0.003 . 1 . . 191 . . 93 SER H . 50899 1
334 . 1 . 1 72 72 SER C C 13 176.741 . . 1 . . 785 . . 93 SER C . 50899 1
335 . 1 . 1 72 72 SER CA C 13 61.200 0.008 . 1 . . 599 . . 93 SER CA . 50899 1
336 . 1 . 1 72 72 SER CB C 13 64.126 0.069 . 1 . . 598 . . 93 SER CB . 50899 1
337 . 1 . 1 72 72 SER N N 15 113.524 0.014 . 1 . . 192 . . 93 SER N . 50899 1
338 . 1 . 1 73 73 ALA H H 1 6.731 0.001 . 1 . . 203 . . 94 ALA H . 50899 1
339 . 1 . 1 73 73 ALA C C 13 177.355 0.012 . 1 . . 610 . . 94 ALA C . 50899 1
340 . 1 . 1 73 73 ALA CA C 13 52.780 0.013 . 1 . . 611 . . 94 ALA CA . 50899 1
341 . 1 . 1 73 73 ALA CB C 13 19.084 0.093 . 1 . . 784 . . 94 ALA CB . 50899 1
342 . 1 . 1 73 73 ALA N N 15 121.069 0.009 . 1 . . 204 . . 94 ALA N . 50899 1
343 . 1 . 1 74 74 LEU H H 1 7.796 0.001 . 1 . . 31 . . 95 LEU H . 50899 1
344 . 1 . 1 74 74 LEU C C 13 176.171 0.009 . 1 . . 334 . . 95 LEU C . 50899 1
345 . 1 . 1 74 74 LEU CA C 13 53.568 0.005 . 1 . . 336 . . 95 LEU CA . 50899 1
346 . 1 . 1 74 74 LEU CB C 13 42.744 0.041 . 1 . . 335 . . 95 LEU CB . 50899 1
347 . 1 . 1 74 74 LEU N N 15 116.490 0.018 . 1 . . 32 . . 95 LEU N . 50899 1
348 . 1 . 1 75 75 LEU H H 1 7.114 0.001 . 1 . . 35 . . 96 LEU H . 50899 1
349 . 1 . 1 75 75 LEU C C 13 177.070 0.006 . 1 . . 340 . . 96 LEU C . 50899 1
350 . 1 . 1 75 75 LEU CA C 13 53.655 0.007 . 1 . . 343 . . 96 LEU CA . 50899 1
351 . 1 . 1 75 75 LEU CB C 13 42.776 0.063 . 1 . . 341 . . 96 LEU CB . 50899 1
352 . 1 . 1 75 75 LEU N N 15 117.369 0.012 . 1 . . 36 . . 96 LEU N . 50899 1
353 . 1 . 1 76 76 GLY H H 1 9.795 0.002 . 1 . . 23 . . 97 GLY H . 50899 1
354 . 1 . 1 76 76 GLY C C 13 174.716 0.02 . 1 . . 324 . . 97 GLY C . 50899 1
355 . 1 . 1 76 76 GLY CA C 13 43.137 0.005 . 1 . . 323 . . 97 GLY CA . 50899 1
356 . 1 . 1 76 76 GLY N N 15 114.051 0.006 . 1 . . 24 . . 97 GLY N . 50899 1
357 . 1 . 1 77 77 GLU H H 1 8.961 0.001 . 1 . . 153 . . 98 GLU H . 50899 1
358 . 1 . 1 77 77 GLU C C 13 178.711 0.004 . 1 . . 531 . . 98 GLU C . 50899 1
359 . 1 . 1 77 77 GLU CA C 13 59.671 0.005 . 1 . . 533 . . 98 GLU CA . 50899 1
360 . 1 . 1 77 77 GLU CB C 13 30.346 0.021 . 1 . . 532 . . 98 GLU CB . 50899 1
361 . 1 . 1 77 77 GLU N N 15 121.751 0.004 . 1 . . 154 . . 98 GLU N . 50899 1
362 . 1 . 1 78 78 GLU H H 1 9.040 0.001 . 1 . . 47 . . 99 GLU H . 50899 1
363 . 1 . 1 78 78 GLU C C 13 177.488 0.006 . 1 . . 363 . . 99 GLU C . 50899 1
364 . 1 . 1 78 78 GLU CA C 13 57.896 0.005 . 1 . . 365 . . 99 GLU CA . 50899 1
365 . 1 . 1 78 78 GLU CB C 13 30.499 0.051 . 1 . . 364 . . 99 GLU CB . 50899 1
366 . 1 . 1 78 78 GLU N N 15 119.272 0.011 . 1 . . 48 . . 99 GLU N . 50899 1
367 . 1 . 1 79 79 ASP H H 1 7.374 0.0 . 1 . . 33 . . 100 ASP H . 50899 1
368 . 1 . 1 79 79 ASP C C 13 178.126 0.01 . 1 . . 337 . . 100 ASP C . 50899 1
369 . 1 . 1 79 79 ASP CA C 13 56.887 0.005 . 1 . . 339 . . 100 ASP CA . 50899 1
370 . 1 . 1 79 79 ASP CB C 13 42.528 0.062 . 1 . . 338 . . 100 ASP CB . 50899 1
371 . 1 . 1 79 79 ASP N N 15 119.347 0.014 . 1 . . 34 . . 100 ASP N . 50899 1
372 . 1 . 1 80 80 GLU H H 1 8.317 0.002 . 1 . . 257 . . 101 GLU H . 50899 1
373 . 1 . 1 80 80 GLU C C 13 178.330 0.005 . 1 . . 715 . . 101 GLU C . 50899 1
374 . 1 . 1 80 80 GLU CA C 13 59.745 0.003 . 1 . . 718 . . 101 GLU CA . 50899 1
375 . 1 . 1 80 80 GLU CB C 13 29.817 0.012 . 1 . . 717 . . 101 GLU CB . 50899 1
376 . 1 . 1 80 80 GLU N N 15 118.343 0.015 . 1 . . 258 . . 101 GLU N . 50899 1
377 . 1 . 1 81 81 GLU H H 1 7.554 0.001 . 1 . . 21 . . 102 GLU H . 50899 1
378 . 1 . 1 81 81 GLU C C 13 179.547 0.003 . 1 . . 320 . . 102 GLU C . 50899 1
379 . 1 . 1 81 81 GLU CA C 13 59.041 0.005 . 1 . . 322 . . 102 GLU CA . 50899 1
380 . 1 . 1 81 81 GLU CB C 13 29.516 0.009 . 1 . . 321 . . 102 GLU CB . 50899 1
381 . 1 . 1 81 81 GLU N N 15 119.567 0.006 . 1 . . 22 . . 102 GLU N . 50899 1
382 . 1 . 1 82 82 ALA H H 1 7.960 0.001 . 1 . . 129 . . 103 ALA H . 50899 1
383 . 1 . 1 82 82 ALA C C 13 180.171 0.001 . 1 . . 489 . . 103 ALA C . 50899 1
384 . 1 . 1 82 82 ALA CA C 13 54.937 0.009 . 1 . . 491 . . 103 ALA CA . 50899 1
385 . 1 . 1 82 82 ALA CB C 13 18.406 0.018 . 1 . . 490 . . 103 ALA CB . 50899 1
386 . 1 . 1 82 82 ALA N N 15 122.063 0.019 . 1 . . 130 . . 103 ALA N . 50899 1
387 . 1 . 1 83 83 LEU H H 1 8.603 0.001 . 1 . . 283 . . 104 LEU H . 50899 1
388 . 1 . 1 83 83 LEU C C 13 178.605 0.01 . 1 . . 757 . . 104 LEU C . 50899 1
389 . 1 . 1 83 83 LEU CA C 13 56.186 0.001 . 1 . . 759 . . 104 LEU CA . 50899 1
390 . 1 . 1 83 83 LEU CB C 13 41.570 0.061 . 1 . . 758 . . 104 LEU CB . 50899 1
391 . 1 . 1 83 83 LEU N N 15 115.553 0.012 . 1 . . 284 . . 104 LEU N . 50899 1
392 . 1 . 1 84 84 HIS H H 1 8.220 0.001 . 1 . . 275 . . 105 HIS H . 50899 1
393 . 1 . 1 84 84 HIS C C 13 174.491 0.007 . 1 . . 745 . . 105 HIS C . 50899 1
394 . 1 . 1 84 84 HIS CA C 13 58.802 0.0 . 1 . . 747 . . 105 HIS CA . 50899 1
395 . 1 . 1 84 84 HIS CB C 13 28.626 0.008 . 1 . . 746 . . 105 HIS CB . 50899 1
396 . 1 . 1 84 84 HIS N N 15 121.459 0.024 . 1 . . 276 . . 105 HIS N . 50899 1
397 . 1 . 1 85 85 TYR H H 1 7.932 0.001 . 1 . . 65 . . 106 TYR H . 50899 1
398 . 1 . 1 85 85 TYR C C 13 173.519 0.039 . 1 . . 392 . . 106 TYR C . 50899 1
399 . 1 . 1 85 85 TYR CA C 13 57.988 0.008 . 1 . . 394 . . 106 TYR CA . 50899 1
400 . 1 . 1 85 85 TYR CB C 13 38.280 0.051 . 1 . . 393 . . 106 TYR CB . 50899 1
401 . 1 . 1 85 85 TYR N N 15 115.521 0.033 . 1 . . 66 . . 106 TYR N . 50899 1
402 . 1 . 1 86 86 LEU H H 1 7.423 0.001 . 1 . . 141 . . 107 LEU H . 50899 1
403 . 1 . 1 86 86 LEU C C 13 175.803 0.011 . 1 . . 508 . . 107 LEU C . 50899 1
404 . 1 . 1 86 86 LEU CA C 13 53.850 0.01 . 1 . . 510 . . 107 LEU CA . 50899 1
405 . 1 . 1 86 86 LEU CB C 13 42.831 0.048 . 1 . . 509 . . 107 LEU CB . 50899 1
406 . 1 . 1 86 86 LEU N N 15 122.481 0.019 . 1 . . 142 . . 107 LEU N . 50899 1
407 . 1 . 1 87 87 THR H H 1 9.217 0.002 . 1 . . 49 . . 108 THR H . 50899 1
408 . 1 . 1 87 87 THR C C 13 175.115 0.001 . 1 . . 366 . . 108 THR C . 50899 1
409 . 1 . 1 87 87 THR CA C 13 61.761 0.001 . 1 . . 368 . . 108 THR CA . 50899 1
410 . 1 . 1 87 87 THR CB C 13 70.561 0.018 . 1 . . 367 . . 108 THR CB . 50899 1
411 . 1 . 1 87 87 THR N N 15 121.656 0.016 . 1 . . 50 . . 108 THR N . 50899 1
412 . 1 . 1 88 88 ARG H H 1 7.241 0.001 . 1 . . 187 . . 109 ARG H . 50899 1
413 . 1 . 1 88 88 ARG C C 13 172.042 0.005 . 1 . . 587 . . 109 ARG C . 50899 1
414 . 1 . 1 88 88 ARG CA C 13 55.601 0.001 . 1 . . 588 . . 109 ARG CA . 50899 1
415 . 1 . 1 88 88 ARG CB C 13 34.311 0.0 . 1 . . 589 . . 109 ARG CB . 50899 1
416 . 1 . 1 88 88 ARG N N 15 121.193 0.013 . 1 . . 188 . . 109 ARG N . 50899 1
417 . 1 . 1 89 89 VAL H H 1 6.639 0.003 . 1 . . 149 . . 110 VAL H . 50899 1
418 . 1 . 1 89 89 VAL C C 13 173.733 . . 1 . . 520 . . 110 VAL C . 50899 1
419 . 1 . 1 89 89 VAL CA C 13 59.328 . . 1 . . 522 . . 110 VAL CA . 50899 1
420 . 1 . 1 89 89 VAL CB C 13 34.286 . . 1 . . 521 . . 110 VAL CB . 50899 1
421 . 1 . 1 89 89 VAL N N 15 125.926 0.131 . 1 . . 150 . . 110 VAL N . 50899 1
422 . 1 . 1 91 91 VAL C C 13 174.298 . . 1 . . 839 . . 112 VAL C . 50899 1
423 . 1 . 1 91 91 VAL CA C 13 59.801 . . 1 . . 836 . . 112 VAL CA . 50899 1
424 . 1 . 1 91 91 VAL CB C 13 32.554 . . 1 . . 837 . . 112 VAL CB . 50899 1
425 . 1 . 1 92 92 THR H H 1 8.697 0.001 . 1 . . 281 . . 113 THR H . 50899 1
426 . 1 . 1 92 92 THR C C 13 172.766 0.003 . 1 . . 754 . . 113 THR C . 50899 1
427 . 1 . 1 92 92 THR CA C 13 60.892 0.002 . 1 . . 756 . . 113 THR CA . 50899 1
428 . 1 . 1 92 92 THR CB C 13 71.595 0.008 . 1 . . 755 . . 113 THR CB . 50899 1
429 . 1 . 1 92 92 THR N N 15 124.929 0.011 . 1 . . 282 . . 113 THR N . 50899 1
430 . 1 . 1 93 93 GLU H H 1 8.870 0.001 . 1 . . 179 . . 114 GLU H . 50899 1
431 . 1 . 1 93 93 GLU C C 13 175.899 0.008 . 1 . . 577 . . 114 GLU C . 50899 1
432 . 1 . 1 93 93 GLU CA C 13 55.224 0.01 . 1 . . 579 . . 114 GLU CA . 50899 1
433 . 1 . 1 93 93 GLU CB C 13 31.106 0.034 . 1 . . 578 . . 114 GLU CB . 50899 1
434 . 1 . 1 93 93 GLU N N 15 126.918 0.005 . 1 . . 180 . . 114 GLU N . 50899 1
435 . 1 . 1 94 94 PHE H H 1 8.014 0.001 . 1 . . 37 . . 115 PHE H . 50899 1
436 . 1 . 1 94 94 PHE C C 13 176.114 0.024 . 1 . . 347 . . 115 PHE C . 50899 1
437 . 1 . 1 94 94 PHE CA C 13 55.251 0.010 . 1 . . 344 . . 115 PHE CA . 50899 1
438 . 1 . 1 94 94 PHE CB C 13 38.045 0.072 . 1 . . 346 . . 115 PHE CB . 50899 1
439 . 1 . 1 94 94 PHE N N 15 123.285 0.008 . 1 . . 38 . . 115 PHE N . 50899 1
440 . 1 . 1 95 95 GLU H H 1 8.645 0.002 . 1 . . 255 . . 116 GLU H . 50899 1
441 . 1 . 1 95 95 GLU C C 13 176.688 0.004 . 1 . . 712 . . 116 GLU C . 50899 1
442 . 1 . 1 95 95 GLU CA C 13 58.449 0.002 . 1 . . 714 . . 116 GLU CA . 50899 1
443 . 1 . 1 95 95 GLU CB C 13 30.361 0.027 . 1 . . 713 . . 116 GLU CB . 50899 1
444 . 1 . 1 95 95 GLU N N 15 120.526 0.028 . 1 . . 256 . . 116 GLU N . 50899 1
445 . 1 . 1 96 96 ASP H H 1 8.022 0.001 . 1 . . 25 . . 117 ASP H . 50899 1
446 . 1 . 1 96 96 ASP C C 13 176.608 0.007 . 1 . . 325 . . 117 ASP C . 50899 1
447 . 1 . 1 96 96 ASP CA C 13 52.879 0.001 . 1 . . 327 . . 117 ASP CA . 50899 1
448 . 1 . 1 96 96 ASP CB C 13 41.179 0.047 . 1 . . 326 . . 117 ASP CB . 50899 1
449 . 1 . 1 96 96 ASP N N 15 116.299 0.01 . 1 . . 26 . . 117 ASP N . 50899 1
450 . 1 . 1 97 97 ILE H H 1 8.143 0.002 . 1 . . 169 . . 118 ILE H . 50899 1
451 . 1 . 1 97 97 ILE C C 13 176.690 0.039 . 1 . . 840 . . 118 ILE C . 50899 1
452 . 1 . 1 97 97 ILE CA C 13 63.686 0.005 . 1 . . 563 . . 118 ILE CA . 50899 1
453 . 1 . 1 97 97 ILE CB C 13 37.624 0.085 . 1 . . 838 . . 118 ILE CB . 50899 1
454 . 1 . 1 97 97 ILE N N 15 121.128 0.029 . 1 . . 170 . . 118 ILE N . 50899 1
455 . 1 . 1 98 98 LYS H H 1 8.530 0.002 . 1 . . 243 . . 119 LYS H . 50899 1
456 . 1 . 1 98 98 LYS C C 13 176.841 0.012 . 1 . . 678 . . 119 LYS C . 50899 1
457 . 1 . 1 98 98 LYS CA C 13 56.744 0.002 . 1 . . 680 . . 119 LYS CA . 50899 1
458 . 1 . 1 98 98 LYS CB C 13 32.360 0.023 . 1 . . 679 . . 119 LYS CB . 50899 1
459 . 1 . 1 98 98 LYS N N 15 121.162 0.024 . 1 . . 244 . . 119 LYS N . 50899 1
460 . 1 . 1 99 99 SER H H 1 8.218 0.001 . 1 . . 253 . . 120 SER H . 50899 1
461 . 1 . 1 99 99 SER C C 13 174.497 0.016 . 1 . . 709 . . 120 SER C . 50899 1
462 . 1 . 1 99 99 SER CA C 13 59.508 0.008 . 1 . . 711 . . 120 SER CA . 50899 1
463 . 1 . 1 99 99 SER CB C 13 64.576 0.002 . 1 . . 710 . . 120 SER CB . 50899 1
464 . 1 . 1 99 99 SER N N 15 113.525 0.011 . 1 . . 254 . . 120 SER N . 50899 1
465 . 1 . 1 100 100 GLY H H 1 7.697 0.001 . 1 . . 285 . . 121 GLY H . 50899 1
466 . 1 . 1 100 100 GLY C C 13 171.672 0.009 . 1 . . 760 . . 121 GLY C . 50899 1
467 . 1 . 1 100 100 GLY CA C 13 44.470 0.002 . 1 . . 761 . . 121 GLY CA . 50899 1
468 . 1 . 1 100 100 GLY N N 15 109.210 0.01 . 1 . . 286 . . 121 GLY N . 50899 1
469 . 1 . 1 101 101 TYR H H 1 7.989 0.001 . 1 . . 157 . . 122 TYR H . 50899 1
470 . 1 . 1 101 101 TYR C C 13 170.826 0.026 . 1 . . 536 . . 122 TYR C . 50899 1
471 . 1 . 1 101 101 TYR CA C 13 55.049 0.01 . 1 . . 538 . . 122 TYR CA . 50899 1
472 . 1 . 1 101 101 TYR CB C 13 39.932 0.036 . 1 . . 537 . . 122 TYR CB . 50899 1
473 . 1 . 1 101 101 TYR N N 15 116.396 0.013 . 1 . . 158 . . 122 TYR N . 50899 1
474 . 1 . 1 102 102 ARG H H 1 8.857 0.002 . 1 . . 63 . . 123 ARG H . 50899 1
475 . 1 . 1 102 102 ARG C C 13 173.523 0.036 . 1 . . 387 . . 123 ARG C . 50899 1
476 . 1 . 1 102 102 ARG CA C 13 53.411 0.021 . 1 . . 389 . . 123 ARG CA . 50899 1
477 . 1 . 1 102 102 ARG CB C 13 35.525 0.027 . 1 . . 388 . . 123 ARG CB . 50899 1
478 . 1 . 1 102 102 ARG N N 15 119.351 0.007 . 1 . . 64 . . 123 ARG N . 50899 1
479 . 1 . 1 103 103 ILE H H 1 8.955 0.002 . 1 . . 780 . . 124 ILE H . 50899 1
480 . 1 . 1 103 103 ILE C C 13 173.277 . . 1 . . 830 . . 124 ILE C . 50899 1
481 . 1 . 1 103 103 ILE CA C 13 59.813 0.013 . 1 . . 783 . . 124 ILE CA . 50899 1
482 . 1 . 1 103 103 ILE CB C 13 40.672 0.021 . 1 . . 782 . . 124 ILE CB . 50899 1
483 . 1 . 1 103 103 ILE N N 15 125.310 0.021 . 1 . . 781 . . 124 ILE N . 50899 1
484 . 1 . 1 104 104 ASP H H 1 8.770 0.002 . 1 . . 201 . . 125 ASP H . 50899 1
485 . 1 . 1 104 104 ASP C C 13 173.281 . . 1 . . 831 . . 125 ASP C . 50899 1
486 . 1 . 1 104 104 ASP CA C 13 52.880 0.004 . 1 . . 609 . . 125 ASP CA . 50899 1
487 . 1 . 1 104 104 ASP CB C 13 46.269 0.058 . 1 . . 608 . . 125 ASP CB . 50899 1
488 . 1 . 1 104 104 ASP N N 15 125.006 0.023 . 1 . . 202 . . 125 ASP N . 50899 1
489 . 1 . 1 105 105 PHE H H 1 9.532 0.002 . 1 . . 213 . . 126 PHE H . 50899 1
490 . 1 . 1 105 105 PHE C C 13 173.220 0.041 . 1 . . 625 . . 126 PHE C . 50899 1
491 . 1 . 1 105 105 PHE CA C 13 54.887 0.009 . 1 . . 628 . . 126 PHE CA . 50899 1
492 . 1 . 1 105 105 PHE CB C 13 41.275 0.062 . 1 . . 627 . . 126 PHE CB . 50899 1
493 . 1 . 1 105 105 PHE N N 15 121.161 0.013 . 1 . . 214 . . 126 PHE N . 50899 1
494 . 1 . 1 106 106 TYR H H 1 9.047 0.002 . 1 . . 3 . . 127 TYR H . 50899 1
495 . 1 . 1 106 106 TYR C C 13 174.117 0.031 . 1 . . 832 . . 127 TYR C . 50899 1
496 . 1 . 1 106 106 TYR CA C 13 57.107 0.027 . 1 . . 296 . . 127 TYR CA . 50899 1
497 . 1 . 1 106 106 TYR CB C 13 39.414 0.047 . 1 . . 295 . . 127 TYR CB . 50899 1
498 . 1 . 1 106 106 TYR N N 15 123.380 0.032 . 1 . . 4 . . 127 TYR N . 50899 1
499 . 1 . 1 107 107 PHE H H 1 8.821 0.001 . 1 . . 217 . . 128 PHE H . 50899 1
500 . 1 . 1 107 107 PHE C C 13 176.856 0.007 . 1 . . 630 . . 128 PHE C . 50899 1
501 . 1 . 1 107 107 PHE CA C 13 56.140 0.012 . 1 . . 632 . . 128 PHE CA . 50899 1
502 . 1 . 1 107 107 PHE CB C 13 44.061 0.05 . 1 . . 631 . . 128 PHE CB . 50899 1
503 . 1 . 1 107 107 PHE N N 15 120.818 0.008 . 1 . . 218 . . 128 PHE N . 50899 1
504 . 1 . 1 108 108 ASP H H 1 8.923 0.001 . 1 . . 29 . . 129 ASP H . 50899 1
505 . 1 . 1 108 108 ASP C C 13 175.430 0.005 . 1 . . 331 . . 129 ASP C . 50899 1
506 . 1 . 1 108 108 ASP CA C 13 52.942 0.006 . 1 . . 333 . . 129 ASP CA . 50899 1
507 . 1 . 1 108 108 ASP CB C 13 42.938 0.057 . 1 . . 332 . . 129 ASP CB . 50899 1
508 . 1 . 1 108 108 ASP N N 15 123.651 0.011 . 1 . . 30 . . 129 ASP N . 50899 1
509 . 1 . 1 109 109 GLU H H 1 8.457 0.001 . 1 . . 165 . . 130 GLU H . 50899 1
510 . 1 . 1 109 109 GLU C C 13 175.395 0.002 . 1 . . 835 . . 130 GLU C . 50899 1
511 . 1 . 1 109 109 GLU CA C 13 57.156 0.01 . 1 . . 833 . . 130 GLU CA . 50899 1
512 . 1 . 1 109 109 GLU CB C 13 29.762 0.02 . 1 . . 834 . . 130 GLU CB . 50899 1
513 . 1 . 1 109 109 GLU N N 15 121.046 0.016 . 1 . . 166 . . 130 GLU N . 50899 1
514 . 1 . 1 110 110 ASN H H 1 8.781 0.001 . 1 . . 39 . . 131 ASN H . 50899 1
515 . 1 . 1 110 110 ASN C C 13 172.128 . . 1 . . 353 . . 131 ASN C . 50899 1
516 . 1 . 1 110 110 ASN CA C 13 51.534 . . 1 . . 354 . . 131 ASN CA . 50899 1
517 . 1 . 1 110 110 ASN CB C 13 41.845 . . 1 . . 355 . . 131 ASN CB . 50899 1
518 . 1 . 1 110 110 ASN N N 15 122.529 0.005 . 1 . . 40 . . 131 ASN N . 50899 1
519 . 1 . 1 111 111 PRO C C 13 174.774 . . 1 . . 305 . . 132 PRO C . 50899 1
520 . 1 . 1 111 111 PRO CA C 13 62.514 . . 1 . . 796 . . 132 PRO CA . 50899 1
521 . 1 . 1 111 111 PRO CB C 13 32.636 . . 1 . . 797 . . 132 PRO CB . 50899 1
522 . 1 . 1 112 112 TYR H H 1 8.535 0.003 . 1 . . 9 . . 133 TYR H . 50899 1
523 . 1 . 1 112 112 TYR C C 13 175.278 0.033 . 1 . . 795 . . 133 TYR C . 50899 1
524 . 1 . 1 112 112 TYR CA C 13 60.329 0.028 . 1 . . 303 . . 133 TYR CA . 50899 1
525 . 1 . 1 112 112 TYR CB C 13 40.139 0.058 . 1 . . 304 . . 133 TYR CB . 50899 1
526 . 1 . 1 112 112 TYR N N 15 117.366 0.053 . 1 . . 10 . . 133 TYR N . 50899 1
527 . 1 . 1 113 113 PHE H H 1 7.863 0.002 . 1 . . 615 . . 134 PHE H . 50899 1
528 . 1 . 1 113 113 PHE C C 13 174.832 0.015 . 1 . . 617 . . 134 PHE C . 50899 1
529 . 1 . 1 113 113 PHE CA C 13 54.431 0.002 . 1 . . 619 . . 134 PHE CA . 50899 1
530 . 1 . 1 113 113 PHE CB C 13 41.764 0.03 . 1 . . 618 . . 134 PHE CB . 50899 1
531 . 1 . 1 113 113 PHE N N 15 113.984 0.01 . 1 . . 616 . . 134 PHE N . 50899 1
532 . 1 . 1 114 114 GLU H H 1 8.492 0.001 . 1 . . 101 . . 135 GLU H . 50899 1
533 . 1 . 1 114 114 GLU C C 13 176.140 0.004 . 1 . . 445 . . 135 GLU C . 50899 1
534 . 1 . 1 114 114 GLU CA C 13 56.497 0.004 . 1 . . 447 . . 135 GLU CA . 50899 1
535 . 1 . 1 114 114 GLU CB C 13 31.853 0.045 . 1 . . 446 . . 135 GLU CB . 50899 1
536 . 1 . 1 114 114 GLU N N 15 116.502 0.07 . 1 . . 102 . . 135 GLU N . 50899 1
537 . 1 . 1 115 115 ASN H H 1 8.185 0.001 . 1 . . 109 . . 136 ASN H . 50899 1
538 . 1 . 1 115 115 ASN C C 13 174.540 0.005 . 1 . . 458 . . 136 ASN C . 50899 1
539 . 1 . 1 115 115 ASN CA C 13 54.180 0.0 . 1 . . 460 . . 136 ASN CA . 50899 1
540 . 1 . 1 115 115 ASN CB C 13 38.625 0.17 . 1 . . 459 . . 136 ASN CB . 50899 1
541 . 1 . 1 115 115 ASN N N 15 113.526 0.028 . 1 . . 110 . . 136 ASN N . 50899 1
542 . 1 . 1 116 116 LYS H H 1 8.681 0.002 . 1 . . 471 . . 137 LYS H . 50899 1
543 . 1 . 1 116 116 LYS C C 13 175.839 0.001 . 1 . . 798 . . 137 LYS C . 50899 1
544 . 1 . 1 116 116 LYS CA C 13 56.723 0.012 . 1 . . 472 . . 137 LYS CA . 50899 1
545 . 1 . 1 116 116 LYS CB C 13 33.343 0.016 . 1 . . 473 . . 137 LYS CB . 50899 1
546 . 1 . 1 116 116 LYS N N 15 121.826 0.048 . 1 . . 470 . . 137 LYS N . 50899 1
547 . 1 . 1 117 117 VAL H H 1 7.306 0.001 . 1 . . 219 . . 138 VAL H . 50899 1
548 . 1 . 1 117 117 VAL C C 13 174.181 0.043 . 1 . . 638 . . 138 VAL C . 50899 1
549 . 1 . 1 117 117 VAL CA C 13 58.753 0.016 . 1 . . 640 . . 138 VAL CA . 50899 1
550 . 1 . 1 117 117 VAL CB C 13 35.442 0.045 . 1 . . 639 . . 138 VAL CB . 50899 1
551 . 1 . 1 117 117 VAL N N 15 117.184 0.008 . 1 . . 220 . . 138 VAL N . 50899 1
552 . 1 . 1 118 118 LEU H H 1 9.318 0.001 . 1 . . 193 . . 139 LEU H . 50899 1
553 . 1 . 1 118 118 LEU C C 13 175.110 0.025 . 1 . . 600 . . 139 LEU C . 50899 1
554 . 1 . 1 118 118 LEU CA C 13 52.456 0.027 . 1 . . 602 . . 139 LEU CA . 50899 1
555 . 1 . 1 118 118 LEU CB C 13 44.780 0.06 . 1 . . 601 . . 139 LEU CB . 50899 1
556 . 1 . 1 118 118 LEU N N 15 127.054 0.023 . 1 . . 194 . . 139 LEU N . 50899 1
557 . 1 . 1 119 119 SER H H 1 8.719 0.002 . 1 . . 57 . . 140 SER H . 50899 1
558 . 1 . 1 119 119 SER C C 13 172.325 0.032 . 1 . . 378 . . 140 SER C . 50899 1
559 . 1 . 1 119 119 SER CA C 13 56.578 0.013 . 1 . . 380 . . 140 SER CA . 50899 1
560 . 1 . 1 119 119 SER CB C 13 67.012 0.11 . 1 . . 379 . . 140 SER CB . 50899 1
561 . 1 . 1 119 119 SER N N 15 117.156 0.018 . 1 . . 58 . . 140 SER N . 50899 1
562 . 1 . 1 120 120 LYS H H 1 8.797 0.001 . 1 . . 103 . . 141 LYS H . 50899 1
563 . 1 . 1 120 120 LYS C C 13 172.939 0.003 . 1 . . 448 . . 141 LYS C . 50899 1
564 . 1 . 1 120 120 LYS CA C 13 55.010 0.005 . 1 . . 449 . . 141 LYS CA . 50899 1
565 . 1 . 1 120 120 LYS CB C 13 36.468 0.046 . 1 . . 450 . . 141 LYS CB . 50899 1
566 . 1 . 1 120 120 LYS N N 15 125.612 0.007 . 1 . . 104 . . 141 LYS N . 50899 1
567 . 1 . 1 121 121 GLU H H 1 8.466 0.002 . 1 . . 135 . . 142 GLU H . 50899 1
568 . 1 . 1 121 121 GLU C C 13 173.210 0.017 . 1 . . 498 . . 142 GLU C . 50899 1
569 . 1 . 1 121 121 GLU CA C 13 53.419 0.004 . 1 . . 501 . . 142 GLU CA . 50899 1
570 . 1 . 1 121 121 GLU CB C 13 33.958 0.035 . 1 . . 500 . . 142 GLU CB . 50899 1
571 . 1 . 1 121 121 GLU N N 15 124.329 0.01 . 1 . . 136 . . 142 GLU N . 50899 1
572 . 1 . 1 122 122 PHE H H 1 8.685 0.001 . 1 . . 289 . . 143 PHE H . 50899 1
573 . 1 . 1 122 122 PHE C C 13 173.389 0.039 . 1 . . 765 . . 143 PHE C . 50899 1
574 . 1 . 1 122 122 PHE CA C 13 56.387 0.007 . 1 . . 767 . . 143 PHE CA . 50899 1
575 . 1 . 1 122 122 PHE CB C 13 40.820 0.047 . 1 . . 766 . . 143 PHE CB . 50899 1
576 . 1 . 1 122 122 PHE N N 15 123.329 0.005 . 1 . . 290 . . 143 PHE N . 50899 1
577 . 1 . 1 123 123 HIS H H 1 8.506 0.001 . 1 . . 7 . . 144 HIS H . 50899 1
578 . 1 . 1 123 123 HIS C C 13 174.012 0.008 . 1 . . 300 . . 144 HIS C . 50899 1
579 . 1 . 1 123 123 HIS CA C 13 54.037 0.005 . 1 . . 302 . . 144 HIS CA . 50899 1
580 . 1 . 1 123 123 HIS CB C 13 32.493 0.037 . 1 . . 301 . . 144 HIS CB . 50899 1
581 . 1 . 1 123 123 HIS N N 15 120.207 0.007 . 1 . . 8 . . 144 HIS N . 50899 1
582 . 1 . 1 124 124 LEU H H 1 8.226 0.001 . 1 . . 51 . . 145 LEU H . 50899 1
583 . 1 . 1 124 124 LEU C C 13 176.636 0.012 . 1 . . 369 . . 145 LEU C . 50899 1
584 . 1 . 1 124 124 LEU CA C 13 53.672 0.003 . 1 . . 371 . . 145 LEU CA . 50899 1
585 . 1 . 1 124 124 LEU CB C 13 43.101 0.055 . 1 . . 370 . . 145 LEU CB . 50899 1
586 . 1 . 1 124 124 LEU N N 15 123.003 0.009 . 1 . . 52 . . 145 LEU N . 50899 1
587 . 1 . 1 125 125 ASN H H 1 8.328 0.001 . 1 . . 249 . . 146 ASN H . 50899 1
588 . 1 . 1 125 125 ASN C C 13 176.151 . . 1 . . 692 . . 146 ASN C . 50899 1
589 . 1 . 1 125 125 ASN CA C 13 51.270 . . 1 . . 694 . . 146 ASN CA . 50899 1
590 . 1 . 1 125 125 ASN CB C 13 39.593 . . 1 . . 693 . . 146 ASN CB . 50899 1
591 . 1 . 1 125 125 ASN N N 15 120.578 0.004 . 1 . . 250 . . 146 ASN N . 50899 1
592 . 1 . 1 126 126 GLU C C 13 176.738 . . 1 . . 858 . . 147 GLU C . 50899 1
593 . 1 . 1 126 126 GLU CA C 13 58.070 . . 1 . . 856 . . 147 GLU CA . 50899 1
594 . 1 . 1 126 126 GLU CB C 13 29.669 . . 1 . . 857 . . 147 GLU CB . 50899 1
595 . 1 . 1 127 127 SER H H 1 7.865 0.001 . 1 . . 205 . . 148 SER H . 50899 1
596 . 1 . 1 127 127 SER C C 13 173.902 0.002 . 1 . . 612 . . 148 SER C . 50899 1
597 . 1 . 1 127 127 SER CA C 13 57.741 0.009 . 1 . . 614 . . 148 SER CA . 50899 1
598 . 1 . 1 127 127 SER CB C 13 64.787 0.063 . 1 . . 613 . . 148 SER CB . 50899 1
599 . 1 . 1 127 127 SER N N 15 114.241 0.016 . 1 . . 206 . . 148 SER N . 50899 1
600 . 1 . 1 128 128 GLY H H 1 8.084 0.001 . 1 . . 81 . . 149 GLY H . 50899 1
601 . 1 . 1 128 128 GLY C C 13 172.637 0.006 . 1 . . 417 . . 149 GLY C . 50899 1
602 . 1 . 1 128 128 GLY CA C 13 44.453 0.003 . 1 . . 416 . . 149 GLY CA . 50899 1
603 . 1 . 1 128 128 GLY N N 15 109.827 0.005 . 1 . . 82 . . 149 GLY N . 50899 1
604 . 1 . 1 129 129 ASP H H 1 8.028 0.001 . 1 . . 171 . . 150 ASP H . 50899 1
605 . 1 . 1 129 129 ASP C C 13 173.985 . . 1 . . 564 . . 150 ASP C . 50899 1
606 . 1 . 1 129 129 ASP CA C 13 51.541 . . 1 . . 566 . . 150 ASP CA . 50899 1
607 . 1 . 1 129 129 ASP CB C 13 41.377 . . 1 . . 565 . . 150 ASP CB . 50899 1
608 . 1 . 1 129 129 ASP N N 15 121.755 0.021 . 1 . . 172 . . 150 ASP N . 50899 1
609 . 1 . 1 130 130 PRO C C 13 175.985 . . 1 . . 808 . . 151 PRO C . 50899 1
610 . 1 . 1 130 130 PRO CA C 13 62.314 . . 1 . . 806 . . 151 PRO CA . 50899 1
611 . 1 . 1 130 130 PRO CB C 13 32.908 . . 1 . . 807 . . 151 PRO CB . 50899 1
612 . 1 . 1 131 131 SER H H 1 8.629 0.002 . 1 . . 133 . . 152 SER H . 50899 1
613 . 1 . 1 131 131 SER C C 13 172.524 0.003 . 1 . . 495 . . 152 SER C . 50899 1
614 . 1 . 1 131 131 SER CA C 13 57.176 0.004 . 1 . . 497 . . 152 SER CA . 50899 1
615 . 1 . 1 131 131 SER CB C 13 66.563 0.07 . 1 . . 496 . . 152 SER CB . 50899 1
616 . 1 . 1 131 131 SER N N 15 116.448 0.011 . 1 . . 134 . . 152 SER N . 50899 1
617 . 1 . 1 132 132 SER H H 1 8.389 0.001 . 1 . . 173 . . 153 SER H . 50899 1
618 . 1 . 1 132 132 SER C C 13 173.046 0.001 . 1 . . 567 . . 153 SER C . 50899 1
619 . 1 . 1 132 132 SER CA C 13 56.040 0.009 . 1 . . 569 . . 153 SER CA . 50899 1
620 . 1 . 1 132 132 SER CB C 13 67.381 0.042 . 1 . . 568 . . 153 SER CB . 50899 1
621 . 1 . 1 132 132 SER N N 15 116.053 0.011 . 1 . . 174 . . 153 SER N . 50899 1
622 . 1 . 1 133 133 LYS H H 1 8.170 0.001 . 1 . . 547 . . 154 LYS H . 50899 1
623 . 1 . 1 133 133 LYS C C 13 175.043 0.004 . 1 . . 549 . . 154 LYS C . 50899 1
624 . 1 . 1 133 133 LYS CA C 13 54.541 0.003 . 1 . . 550 . . 154 LYS CA . 50899 1
625 . 1 . 1 133 133 LYS CB C 13 35.832 0.04 . 1 . . 805 . . 154 LYS CB . 50899 1
626 . 1 . 1 133 133 LYS N N 15 120.801 0.021 . 1 . . 548 . . 154 LYS N . 50899 1
627 . 1 . 1 134 134 SER H H 1 8.779 0.002 . 1 . . 97 . . 155 SER H . 50899 1
628 . 1 . 1 134 134 SER C C 13 174.104 0.01 . 1 . . 439 . . 155 SER C . 50899 1
629 . 1 . 1 134 134 SER CA C 13 56.350 0.001 . 1 . . 441 . . 155 SER CA . 50899 1
630 . 1 . 1 134 134 SER CB C 13 67.453 0.038 . 1 . . 440 . . 155 SER CB . 50899 1
631 . 1 . 1 134 134 SER N N 15 119.990 0.016 . 1 . . 98 . . 155 SER N . 50899 1
632 . 1 . 1 135 135 THR H H 1 8.278 0.001 . 1 . . 231 . . 156 THR H . 50899 1
633 . 1 . 1 135 135 THR C C 13 173.301 0.001 . 1 . . 655 . . 156 THR C . 50899 1
634 . 1 . 1 135 135 THR CA C 13 61.698 0.011 . 1 . . 657 . . 156 THR CA . 50899 1
635 . 1 . 1 135 135 THR CB C 13 71.190 0.022 . 1 . . 656 . . 156 THR CB . 50899 1
636 . 1 . 1 135 135 THR N N 15 118.495 0.009 . 1 . . 232 . . 156 THR N . 50899 1
637 . 1 . 1 136 136 GLU H H 1 8.323 0.001 . 1 . . 125 . . 157 GLU H . 50899 1
638 . 1 . 1 136 136 GLU C C 13 175.248 0.008 . 1 . . 483 . . 157 GLU C . 50899 1
639 . 1 . 1 136 136 GLU CA C 13 55.259 0.008 . 1 . . 485 . . 157 GLU CA . 50899 1
640 . 1 . 1 136 136 GLU CB C 13 30.156 0.034 . 1 . . 484 . . 157 GLU CB . 50899 1
641 . 1 . 1 136 136 GLU N N 15 125.978 0.007 . 1 . . 126 . . 157 GLU N . 50899 1
642 . 1 . 1 137 137 ILE H H 1 8.578 0.001 . 1 . . 185 . . 158 ILE H . 50899 1
643 . 1 . 1 137 137 ILE C C 13 174.916 0.002 . 1 . . 584 . . 158 ILE C . 50899 1
644 . 1 . 1 137 137 ILE CA C 13 62.067 0.006 . 1 . . 586 . . 158 ILE CA . 50899 1
645 . 1 . 1 137 137 ILE CB C 13 38.073 0.044 . 1 . . 585 . . 158 ILE CB . 50899 1
646 . 1 . 1 137 137 ILE N N 15 129.885 0.005 . 1 . . 186 . . 158 ILE N . 50899 1
647 . 1 . 1 138 138 LYS H H 1 9.203 0.001 . 1 . . 87 . . 159 LYS H . 50899 1
648 . 1 . 1 138 138 LYS C C 13 174.830 0.019 . 1 . . 424 . . 159 LYS C . 50899 1
649 . 1 . 1 138 138 LYS CA C 13 52.486 0.0 . 1 . . 426 . . 159 LYS CA . 50899 1
650 . 1 . 1 138 138 LYS CB C 13 30.751 0.049 . 1 . . 425 . . 159 LYS CB . 50899 1
651 . 1 . 1 138 138 LYS N N 15 131.595 0.003 . 1 . . 88 . . 159 LYS N . 50899 1
652 . 1 . 1 139 139 TRP H H 1 7.468 0.001 . 1 . . 105 . . 160 TRP H . 50899 1
653 . 1 . 1 139 139 TRP C C 13 177.579 0.005 . 1 . . 451 . . 160 TRP C . 50899 1
654 . 1 . 1 139 139 TRP CA C 13 56.976 0.002 . 1 . . 454 . . 160 TRP CA . 50899 1
655 . 1 . 1 139 139 TRP CB C 13 30.816 0.038 . 1 . . 452 . . 160 TRP CB . 50899 1
656 . 1 . 1 139 139 TRP N N 15 124.635 0.01 . 1 . . 106 . . 160 TRP N . 50899 1
657 . 1 . 1 140 140 LYS H H 1 9.001 0.001 . 1 . . 247 . . 161 LYS H . 50899 1
658 . 1 . 1 140 140 LYS C C 13 176.506 . . 1 . . 689 . . 161 LYS C . 50899 1
659 . 1 . 1 140 140 LYS CA C 13 56.071 . . 1 . . 691 . . 161 LYS CA . 50899 1
660 . 1 . 1 140 140 LYS CB C 13 32.553 . . 1 . . 690 . . 161 LYS CB . 50899 1
661 . 1 . 1 140 140 LYS N N 15 125.112 0.008 . 1 . . 248 . . 161 LYS N . 50899 1
662 . 1 . 1 142 142 GLY C C 13 174.803 . . 1 . . 886 . . 163 GLY C . 50899 1
663 . 1 . 1 142 142 GLY CA C 13 45.134 . . 1 . . 885 . . 163 GLY CA . 50899 1
664 . 1 . 1 143 143 LYS H H 1 7.906 0.001 . 1 . . 143 . . 164 LYS H . 50899 1
665 . 1 . 1 143 143 LYS C C 13 173.962 0.005 . 1 . . 511 . . 164 LYS C . 50899 1
666 . 1 . 1 143 143 LYS CA C 13 53.109 0.004 . 1 . . 513 . . 164 LYS CA . 50899 1
667 . 1 . 1 143 143 LYS CB C 13 33.260 0.033 . 1 . . 512 . . 164 LYS CB . 50899 1
668 . 1 . 1 143 143 LYS N N 15 119.725 0.009 . 1 . . 144 . . 164 LYS N . 50899 1
669 . 1 . 1 144 144 ASP H H 1 7.264 0.001 . 1 . . 177 . . 165 ASP H . 50899 1
670 . 1 . 1 144 144 ASP C C 13 177.488 . . 1 . . 574 . . 165 ASP C . 50899 1
671 . 1 . 1 144 144 ASP CA C 13 52.983 . . 1 . . 576 . . 165 ASP CA . 50899 1
672 . 1 . 1 144 144 ASP CB C 13 40.271 . . 1 . . 575 . . 165 ASP CB . 50899 1
673 . 1 . 1 144 144 ASP N N 15 114.470 0.005 . 1 . . 178 . . 165 ASP N . 50899 1
674 . 1 . 1 145 145 LEU C C 13 177.488 . . 1 . . 884 . . 166 LEU C . 50899 1
675 . 1 . 1 145 145 LEU CA C 13 55.436 . . 1 . . 882 . . 166 LEU CA . 50899 1
676 . 1 . 1 145 145 LEU CB C 13 42.190 . . 1 . . 883 . . 166 LEU CB . 50899 1
677 . 1 . 1 146 146 THR H H 1 8.269 0.002 . 1 . . 229 . . 167 THR H . 50899 1
678 . 1 . 1 146 146 THR C C 13 174.324 0.004 . 1 . . 652 . . 167 THR C . 50899 1
679 . 1 . 1 146 146 THR CA C 13 62.166 0.01 . 1 . . 654 . . 167 THR CA . 50899 1
680 . 1 . 1 146 146 THR CB C 13 69.517 0.04 . 1 . . 653 . . 167 THR CB . 50899 1
681 . 1 . 1 146 146 THR N N 15 109.404 0.016 . 1 . . 230 . . 167 THR N . 50899 1
682 . 1 . 1 147 147 LYS H H 1 6.877 0.001 . 1 . . 235 . . 168 LYS H . 50899 1
683 . 1 . 1 147 147 LYS C C 13 175.695 . . 1 . . 666 . . 168 LYS C . 50899 1
684 . 1 . 1 147 147 LYS CA C 13 54.516 . . 1 . . 667 . . 168 LYS CA . 50899 1
685 . 1 . 1 147 147 LYS CB C 13 32.896 . . 1 . . 668 . . 168 LYS CB . 50899 1
686 . 1 . 1 147 147 LYS N N 15 121.539 0.007 . 1 . . 236 . . 168 LYS N . 50899 1
687 . 1 . 1 162 162 HIS C C 13 174.489 . . 1 . . 889 . . 183 HIS C . 50899 1
688 . 1 . 1 162 162 HIS CA C 13 55.551 . . 1 . . 887 . . 183 HIS CA . 50899 1
689 . 1 . 1 162 162 HIS CB C 13 31.404 . . 1 . . 888 . . 183 HIS CB . 50899 1
690 . 1 . 1 163 163 GLU H H 1 8.257 0.001 . 1 . . 221 . . 184 GLU H . 50899 1
691 . 1 . 1 163 163 GLU C C 13 175.548 0.0 . 1 . . 641 . . 184 GLU C . 50899 1
692 . 1 . 1 163 163 GLU CA C 13 55.875 0.007 . 1 . . 643 . . 184 GLU CA . 50899 1
693 . 1 . 1 163 163 GLU CB C 13 30.699 0.037 . 1 . . 642 . . 184 GLU CB . 50899 1
694 . 1 . 1 163 163 GLU N N 15 121.149 0.052 . 1 . . 222 . . 184 GLU N . 50899 1
695 . 1 . 1 164 164 GLU H H 1 8.361 0.001 . 1 . . 61 . . 185 GLU H . 50899 1
696 . 1 . 1 164 164 GLU C C 13 173.844 . . 1 . . 384 . . 185 GLU C . 50899 1
697 . 1 . 1 164 164 GLU CA C 13 53.635 . . 1 . . 386 . . 185 GLU CA . 50899 1
698 . 1 . 1 164 164 GLU CB C 13 30.213 . . 1 . . 385 . . 185 GLU CB . 50899 1
699 . 1 . 1 164 164 GLU N N 15 122.855 0.009 . 1 . . 62 . . 185 GLU N . 50899 1
700 . 1 . 1 165 165 PRO C C 13 176.535 . . 1 . . 801 . . 186 PRO C . 50899 1
701 . 1 . 1 165 165 PRO CA C 13 62.285 . . 1 . . 800 . . 186 PRO CA . 50899 1
702 . 1 . 1 165 165 PRO CB C 13 32.614 . . 1 . . 699 . . 186 PRO CB . 50899 1
703 . 1 . 1 166 166 GLU H H 1 8.335 0.001 . 1 . . 695 . . 187 GLU H . 50899 1
704 . 1 . 1 166 166 GLU C C 13 175.663 0.005 . 1 . . 697 . . 187 GLU C . 50899 1
705 . 1 . 1 166 166 GLU CA C 13 55.400 0.006 . 1 . . 700 . . 187 GLU CA . 50899 1
706 . 1 . 1 166 166 GLU CB C 13 31.492 0.023 . 1 . . 698 . . 187 GLU CB . 50899 1
707 . 1 . 1 166 166 GLU N N 15 120.619 0.006 . 1 . . 696 . . 187 GLU N . 50899 1
708 . 1 . 1 167 167 SER H H 1 8.534 0.001 . 1 . . 211 . . 188 SER H . 50899 1
709 . 1 . 1 167 167 SER C C 13 176.156 0.004 . 1 . . 623 . . 188 SER C . 50899 1
710 . 1 . 1 167 167 SER CA C 13 57.149 0.011 . 1 . . 799 . . 188 SER CA . 50899 1
711 . 1 . 1 167 167 SER CB C 13 65.877 0.124 . 1 . . 624 . . 188 SER CB . 50899 1
712 . 1 . 1 167 167 SER N N 15 114.660 0.005 . 1 . . 212 . . 188 SER N . 50899 1
713 . 1 . 1 168 168 PHE H H 1 10.273 0.004 . 1 . . 19 . . 189 PHE H . 50899 1
714 . 1 . 1 168 168 PHE C C 13 176.070 0.018 . 1 . . 318 . . 189 PHE C . 50899 1
715 . 1 . 1 168 168 PHE CA C 13 60.749 0.002 . 1 . . 319 . . 189 PHE CA . 50899 1
716 . 1 . 1 168 168 PHE CB C 13 41.511 0.024 . 1 . . 802 . . 189 PHE CB . 50899 1
717 . 1 . 1 168 168 PHE N N 15 133.311 0.01 . 1 . . 20 . . 189 PHE N . 50899 1
718 . 1 . 1 169 169 PHE H H 1 8.838 0.002 . 1 . . 73 . . 190 PHE H . 50899 1
719 . 1 . 1 169 169 PHE C C 13 177.717 0.002 . 1 . . 404 . . 190 PHE C . 50899 1
720 . 1 . 1 169 169 PHE CA C 13 61.445 0.005 . 1 . . 406 . . 190 PHE CA . 50899 1
721 . 1 . 1 169 169 PHE CB C 13 38.835 0.065 . 1 . . 405 . . 190 PHE CB . 50899 1
722 . 1 . 1 169 169 PHE N N 15 111.834 0.032 . 1 . . 74 . . 190 PHE N . 50899 1
723 . 1 . 1 170 170 THR H H 1 8.317 0.003 . 1 . . 245 . . 191 THR H . 50899 1
724 . 1 . 1 170 170 THR C C 13 175.178 0.013 . 1 . . 686 . . 191 THR C . 50899 1
725 . 1 . 1 170 170 THR CA C 13 64.539 0.016 . 1 . . 688 . . 191 THR CA . 50899 1
726 . 1 . 1 170 170 THR CB C 13 69.636 0.039 . 1 . . 687 . . 191 THR CB . 50899 1
727 . 1 . 1 170 170 THR N N 15 115.996 0.007 . 1 . . 246 . . 191 THR N . 50899 1
728 . 1 . 1 171 171 TRP H H 1 7.941 0.002 . 1 . . 115 . . 192 TRP H . 50899 1
729 . 1 . 1 171 171 TRP C C 13 176.755 0.004 . 1 . . 854 . . 192 TRP C . 50899 1
730 . 1 . 1 171 171 TRP CA C 13 59.068 0.017 . 1 . . 850 . . 192 TRP CA . 50899 1
731 . 1 . 1 171 171 TRP CB C 13 28.859 0.027 . 1 . . 855 . . 192 TRP CB . 50899 1
732 . 1 . 1 171 171 TRP N N 15 123.594 0.029 . 1 . . 116 . . 192 TRP N . 50899 1
733 . 1 . 1 172 172 PHE H H 1 7.146 0.001 . 1 . . 107 . . 193 PHE H . 50899 1
734 . 1 . 1 172 172 PHE C C 13 174.577 0.0 . 1 . . 455 . . 193 PHE C . 50899 1
735 . 1 . 1 172 172 PHE CA C 13 58.464 0.006 . 1 . . 457 . . 193 PHE CA . 50899 1
736 . 1 . 1 172 172 PHE CB C 13 38.199 0.043 . 1 . . 456 . . 193 PHE CB . 50899 1
737 . 1 . 1 172 172 PHE N N 15 114.579 0.025 . 1 . . 108 . . 193 PHE N . 50899 1
738 . 1 . 1 173 173 THR H H 1 7.431 0.001 . 1 . . 13 . . 194 THR H . 50899 1
739 . 1 . 1 173 173 THR C C 13 172.967 0.012 . 1 . . 309 . . 194 THR C . 50899 1
740 . 1 . 1 173 173 THR CA C 13 60.480 0.003 . 1 . . 311 . . 194 THR CA . 50899 1
741 . 1 . 1 173 173 THR CB C 13 71.298 0.051 . 1 . . 310 . . 194 THR CB . 50899 1
742 . 1 . 1 173 173 THR N N 15 112.422 0.016 . 1 . . 14 . . 194 THR N . 50899 1
743 . 1 . 1 174 174 ASP H H 1 7.945 0.001 . 1 . . 793 . . 195 ASP H . 50899 1
744 . 1 . 1 174 174 ASP C C 13 175.079 0.004 . 1 . . 853 . . 195 ASP C . 50899 1
745 . 1 . 1 174 174 ASP CA C 13 53.585 0.0 . 1 . . 851 . . 195 ASP CA . 50899 1
746 . 1 . 1 174 174 ASP CB C 13 41.868 0.11 . 1 . . 852 . . 195 ASP CB . 50899 1
747 . 1 . 1 174 174 ASP N N 15 123.435 0.054 . 1 . . 794 . . 195 ASP N . 50899 1
748 . 1 . 1 175 175 HIS H H 1 8.159 0.0 . 1 . . 291 . . 196 HIS H . 50899 1
749 . 1 . 1 175 175 HIS C C 13 174.694 . . 1 . . 768 . . 196 HIS C . 50899 1
750 . 1 . 1 175 175 HIS CA C 13 54.788 . . 1 . . 770 . . 196 HIS CA . 50899 1
751 . 1 . 1 175 175 HIS CB C 13 31.429 . . 1 . . 769 . . 196 HIS CB . 50899 1
752 . 1 . 1 175 175 HIS N N 15 121.359 0.056 . 1 . . 292 . . 196 HIS N . 50899 1
753 . 1 . 1 176 176 SER C C 13 173.787 . . 1 . . 818 . . 197 SER C . 50899 1
754 . 1 . 1 176 176 SER CA C 13 58.256 . . 1 . . 816 . . 197 SER CA . 50899 1
755 . 1 . 1 176 176 SER CB C 13 64.952 . . 1 . . 817 . . 197 SER CB . 50899 1
756 . 1 . 1 177 177 ASP H H 1 8.460 0.001 . 1 . . 69 . . 198 ASP H . 50899 1
757 . 1 . 1 177 177 ASP C C 13 175.410 0.008 . 1 . . 398 . . 198 ASP C . 50899 1
758 . 1 . 1 177 177 ASP CA C 13 53.436 0.003 . 1 . . 400 . . 198 ASP CA . 50899 1
759 . 1 . 1 177 177 ASP CB C 13 41.711 0.043 . 1 . . 399 . . 198 ASP CB . 50899 1
760 . 1 . 1 177 177 ASP N N 15 122.828 0.03 . 1 . . 70 . . 198 ASP N . 50899 1
761 . 1 . 1 178 178 ALA H H 1 8.217 0.001 . 1 . . 17 . . 199 ALA H . 50899 1
762 . 1 . 1 178 178 ALA C C 13 177.666 0.005 . 1 . . 315 . . 199 ALA C . 50899 1
763 . 1 . 1 178 178 ALA CA C 13 52.247 0.001 . 1 . . 317 . . 199 ALA CA . 50899 1
764 . 1 . 1 178 178 ALA CB C 13 19.627 0.072 . 1 . . 316 . . 199 ALA CB . 50899 1
765 . 1 . 1 178 178 ALA N N 15 124.259 0.006 . 1 . . 18 . . 199 ALA N . 50899 1
766 . 1 . 1 179 179 GLY H H 1 8.309 0.0 . 1 . . 195 . . 200 GLY H . 50899 1
767 . 1 . 1 179 179 GLY C C 13 173.121 0.006 . 1 . . 603 . . 200 GLY C . 50899 1
768 . 1 . 1 179 179 GLY CA C 13 44.519 0.004 . 1 . . 604 . . 200 GLY CA . 50899 1
769 . 1 . 1 179 179 GLY N N 15 107.741 0.007 . 1 . . 196 . . 200 GLY N . 50899 1
770 . 1 . 1 180 180 ALA H H 1 7.951 0.0 . 1 . . 277 . . 201 ALA H . 50899 1
771 . 1 . 1 180 180 ALA C C 13 176.465 0.004 . 1 . . 748 . . 201 ALA C . 50899 1
772 . 1 . 1 180 180 ALA CA C 13 51.498 0.003 . 1 . . 750 . . 201 ALA CA . 50899 1
773 . 1 . 1 180 180 ALA CB C 13 19.595 0.028 . 1 . . 749 . . 201 ALA CB . 50899 1
774 . 1 . 1 180 180 ALA N N 15 123.925 0.009 . 1 . . 278 . . 201 ALA N . 50899 1
775 . 1 . 1 181 181 ASP H H 1 8.021 0.001 . 1 . . 147 . . 202 ASP H . 50899 1
776 . 1 . 1 181 181 ASP C C 13 175.500 0.005 . 1 . . 517 . . 202 ASP C . 50899 1
777 . 1 . 1 181 181 ASP CA C 13 53.496 0.004 . 1 . . 519 . . 202 ASP CA . 50899 1
778 . 1 . 1 181 181 ASP CB C 13 43.140 0.04 . 1 . . 518 . . 202 ASP CB . 50899 1
779 . 1 . 1 181 181 ASP N N 15 122.238 0.009 . 1 . . 148 . . 202 ASP N . 50899 1
780 . 1 . 1 182 182 GLU H H 1 8.492 0.001 . 1 . . 241 . . 203 GLU H . 50899 1
781 . 1 . 1 182 182 GLU C C 13 177.483 0.007 . 1 . . 675 . . 203 GLU C . 50899 1
782 . 1 . 1 182 182 GLU CA C 13 58.311 0.004 . 1 . . 677 . . 203 GLU CA . 50899 1
783 . 1 . 1 182 182 GLU CB C 13 30.416 0.025 . 1 . . 676 . . 203 GLU CB . 50899 1
784 . 1 . 1 182 182 GLU N N 15 125.774 0.008 . 1 . . 242 . . 203 GLU N . 50899 1
785 . 1 . 1 183 183 LEU H H 1 8.067 0.001 . 1 . . 237 . . 204 LEU H . 50899 1
786 . 1 . 1 183 183 LEU C C 13 177.997 0.007 . 1 . . 669 . . 204 LEU C . 50899 1
787 . 1 . 1 183 183 LEU CA C 13 56.611 0.002 . 1 . . 671 . . 204 LEU CA . 50899 1
788 . 1 . 1 183 183 LEU CB C 13 40.541 0.056 . 1 . . 670 . . 204 LEU CB . 50899 1
789 . 1 . 1 183 183 LEU N N 15 120.812 0.014 . 1 . . 238 . . 204 LEU N . 50899 1
790 . 1 . 1 184 184 GLY H H 1 8.791 0.002 . 1 . . 1 . . 205 GLY H . 50899 1
791 . 1 . 1 184 184 GLY C C 13 174.454 0.015 . 1 . . 293 . . 205 GLY C . 50899 1
792 . 1 . 1 184 184 GLY CA C 13 47.189 0.008 . 1 . . 294 . . 205 GLY CA . 50899 1
793 . 1 . 1 184 184 GLY N N 15 107.564 0.018 . 1 . . 2 . . 205 GLY N . 50899 1
794 . 1 . 1 185 185 GLU H H 1 7.522 0.001 . 1 . . 189 . . 206 GLU H . 50899 1
795 . 1 . 1 185 185 GLU C C 13 178.284 0.0 . 1 . . 595 . . 206 GLU C . 50899 1
796 . 1 . 1 185 185 GLU CA C 13 58.686 0.032 . 1 . . 597 . . 206 GLU CA . 50899 1
797 . 1 . 1 185 185 GLU CB C 13 29.681 0.026 . 1 . . 596 . . 206 GLU CB . 50899 1
798 . 1 . 1 185 185 GLU N N 15 118.910 0.032 . 1 . . 190 . . 206 GLU N . 50899 1
799 . 1 . 1 186 186 VAL H H 1 7.893 0.001 . 1 . . 207 . . 207 VAL H . 50899 1
800 . 1 . 1 186 186 VAL C C 13 178.982 0.008 . 1 . . 739 . . 207 VAL C . 50899 1
801 . 1 . 1 186 186 VAL CA C 13 65.116 0.008 . 1 . . 741 . . 207 VAL CA . 50899 1
802 . 1 . 1 186 186 VAL CB C 13 31.862 0.044 . 1 . . 740 . . 207 VAL CB . 50899 1
803 . 1 . 1 186 186 VAL N N 15 120.902 0.039 . 1 . . 208 . . 207 VAL N . 50899 1
804 . 1 . 1 187 187 ILE H H 1 8.259 0.001 . 1 . . 15 . . 208 ILE H . 50899 1
805 . 1 . 1 187 187 ILE C C 13 175.830 0.005 . 1 . . 312 . . 208 ILE C . 50899 1
806 . 1 . 1 187 187 ILE CA C 13 65.775 0.008 . 1 . . 314 . . 208 ILE CA . 50899 1
807 . 1 . 1 187 187 ILE CB C 13 37.341 0.04 . 1 . . 313 . . 208 ILE CB . 50899 1
808 . 1 . 1 187 187 ILE N N 15 120.243 0.012 . 1 . . 16 . . 208 ILE N . 50899 1
809 . 1 . 1 188 188 LYS H H 1 8.447 0.001 . 1 . . 233 . . 209 LYS H . 50899 1
810 . 1 . 1 188 188 LYS C C 13 175.921 0.015 . 1 . . 663 . . 209 LYS C . 50899 1
811 . 1 . 1 188 188 LYS CA C 13 60.086 0.017 . 1 . . 665 . . 209 LYS CA . 50899 1
812 . 1 . 1 188 188 LYS CB C 13 32.603 . . 1 . . 664 . . 209 LYS CB . 50899 1
813 . 1 . 1 188 188 LYS N N 15 118.462 0.01 . 1 . . 234 . . 209 LYS N . 50899 1
814 . 1 . 1 189 189 ASP H H 1 8.611 0.002 . 1 . . 167 . . 210 ASP H . 50899 1
815 . 1 . 1 189 189 ASP C C 13 175.970 0.026 . 1 . . 559 . . 210 ASP C . 50899 1
816 . 1 . 1 189 189 ASP CA C 13 54.708 0.006 . 1 . . 562 . . 210 ASP CA . 50899 1
817 . 1 . 1 189 189 ASP CB C 13 41.888 0.002 . 1 . . 561 . . 210 ASP CB . 50899 1
818 . 1 . 1 189 189 ASP N N 15 113.620 0.048 . 1 . . 168 . . 210 ASP N . 50899 1
819 . 1 . 1 190 190 ASP H H 1 7.608 0.002 . 1 . . 137 . . 211 ASP H . 50899 1
820 . 1 . 1 190 190 ASP C C 13 175.697 . . 1 . . 502 . . 211 ASP C . 50899 1
821 . 1 . 1 190 190 ASP CA C 13 54.593 . . 1 . . 504 . . 211 ASP CA . 50899 1
822 . 1 . 1 190 190 ASP CB C 13 43.485 . . 1 . . 503 . . 211 ASP CB . 50899 1
823 . 1 . 1 190 190 ASP N N 15 119.000 0.009 . 1 . . 138 . . 211 ASP N . 50899 1
824 . 1 . 1 191 191 ILE C C 13 175.633 . . 1 . . 891 . . 212 ILE C . 50899 1
825 . 1 . 1 191 191 ILE CA C 13 60.282 . . 1 . . 890 . . 212 ILE CA . 50899 1
826 . 1 . 1 191 191 ILE CB C 13 39.234 . . 1 . . 778 . . 212 ILE CB . 50899 1
827 . 1 . 1 192 192 TRP H H 1 8.291 0.003 . 1 . . 390 . . 213 TRP H . 50899 1
828 . 1 . 1 192 192 TRP C C 13 175.458 . . 1 . . 892 . . 213 TRP C . 50899 1
829 . 1 . 1 192 192 TRP CA C 13 55.714 . . 1 . . 779 . . 213 TRP CA . 50899 1
830 . 1 . 1 192 192 TRP CB C 13 30.873 . . 1 . . 777 . . 213 TRP CB . 50899 1
831 . 1 . 1 192 192 TRP N N 15 124.804 0.1 . 1 . . 391 . . 213 TRP N . 50899 1
832 . 1 . 1 193 193 PRO C C 13 177.501 . . 1 . . 881 . . 214 PRO C . 50899 1
833 . 1 . 1 193 193 PRO CA C 13 66.029 . . 1 . . 879 . . 214 PRO CA . 50899 1
834 . 1 . 1 193 193 PRO CB C 13 31.703 . . 1 . . 880 . . 214 PRO CB . 50899 1
835 . 1 . 1 194 194 ASN H H 1 6.881 0.001 . 1 . . 199 . . 215 ASN H . 50899 1
836 . 1 . 1 194 194 ASN C C 13 172.511 . . 1 . . 878 . . 215 ASN C . 50899 1
837 . 1 . 1 194 194 ASN CA C 13 51.075 . . 1 . . 876 . . 215 ASN CA . 50899 1
838 . 1 . 1 194 194 ASN CB C 13 38.559 . . 1 . . 877 . . 215 ASN CB . 50899 1
839 . 1 . 1 194 194 ASN N N 15 105.577 0.015 . 1 . . 200 . . 215 ASN N . 50899 1
840 . 1 . 1 195 195 PRO C C 13 178.136 . . 1 . . 849 . . 216 PRO C . 50899 1
841 . 1 . 1 195 195 PRO CA C 13 63.811 . . 1 . . 847 . . 216 PRO CA . 50899 1
842 . 1 . 1 195 195 PRO CB C 13 32.914 . . 1 . . 848 . . 216 PRO CB . 50899 1
843 . 1 . 1 196 196 LEU H H 1 7.809 0.002 . 1 . . 43 . . 217 LEU H . 50899 1
844 . 1 . 1 196 196 LEU C C 13 177.368 0.012 . 1 . . 773 . . 217 LEU C . 50899 1
845 . 1 . 1 196 196 LEU CA C 13 57.047 0.007 . 1 . . 774 . . 217 LEU CA . 50899 1
846 . 1 . 1 196 196 LEU CB C 13 41.294 0.057 . 1 . . 775 . . 217 LEU CB . 50899 1
847 . 1 . 1 196 196 LEU N N 15 120.524 0.051 . 1 . . 44 . . 217 LEU N . 50899 1
848 . 1 . 1 197 197 GLN H H 1 6.853 0.001 . 1 . . 225 . . 218 GLN H . 50899 1
849 . 1 . 1 197 197 GLN C C 13 174.759 0.003 . 1 . . 647 . . 218 GLN C . 50899 1
850 . 1 . 1 197 197 GLN CA C 13 56.749 0.008 . 1 . . 846 . . 218 GLN CA . 50899 1
851 . 1 . 1 197 197 GLN CB C 13 28.486 0.019 . 1 . . 648 . . 218 GLN CB . 50899 1
852 . 1 . 1 197 197 GLN N N 15 114.456 0.008 . 1 . . 226 . . 218 GLN N . 50899 1
853 . 1 . 1 198 198 TYR H H 1 6.988 0.002 . 1 . . 803 . . 219 TYR H . 50899 1
854 . 1 . 1 198 198 TYR C C 13 174.479 0.006 . 1 . . 844 . . 219 TYR C . 50899 1
855 . 1 . 1 198 198 TYR CA C 13 58.316 0.008 . 1 . . 845 . . 219 TYR CA . 50899 1
856 . 1 . 1 198 198 TYR CB C 13 40.510 0.061 . 1 . . 843 . . 219 TYR CB . 50899 1
857 . 1 . 1 198 198 TYR N N 15 116.023 0.017 . 1 . . 804 . . 219 TYR N . 50899 1
858 . 1 . 1 199 199 TYR H H 1 7.857 0.004 . 1 . . 181 . . 220 TYR H . 50899 1
859 . 1 . 1 199 199 TYR C C 13 174.351 0.007 . 1 . . 580 . . 220 TYR C . 50899 1
860 . 1 . 1 199 199 TYR CA C 13 60.550 0.005 . 1 . . 582 . . 220 TYR CA . 50899 1
861 . 1 . 1 199 199 TYR CB C 13 39.697 0.055 . 1 . . 581 . . 220 TYR CB . 50899 1
862 . 1 . 1 199 199 TYR N N 15 120.859 0.018 . 1 . . 182 . . 220 TYR N . 50899 1
863 . 1 . 1 200 200 LEU H H 1 7.196 0.001 . 1 . . 85 . . 221 LEU H . 50899 1
864 . 1 . 1 200 200 LEU C C 13 175.826 0.007 . 1 . . 421 . . 221 LEU C . 50899 1
865 . 1 . 1 200 200 LEU CA C 13 53.245 0.004 . 1 . . 423 . . 221 LEU CA . 50899 1
866 . 1 . 1 200 200 LEU CB C 13 42.276 0.051 . 1 . . 422 . . 221 LEU CB . 50899 1
867 . 1 . 1 200 200 LEU N N 15 115.837 0.006 . 1 . . 86 . . 221 LEU N . 50899 1
868 . 1 . 1 201 201 VAL H H 1 7.324 0.0 . 1 . . 11 . . 222 VAL H . 50899 1
869 . 1 . 1 201 201 VAL C C 13 173.986 . . 1 . . 308 . . 222 VAL C . 50899 1
870 . 1 . 1 201 201 VAL CA C 13 59.613 . . 1 . . 306 . . 222 VAL CA . 50899 1
871 . 1 . 1 201 201 VAL CB C 13 32.723 . . 1 . . 307 . . 222 VAL CB . 50899 1
872 . 1 . 1 201 201 VAL N N 15 122.009 0.006 . 1 . . 12 . . 222 VAL N . 50899 1
873 . 1 . 1 202 202 PRO C C 13 176.055 . . 1 . . 820 . . 223 PRO C . 50899 1
874 . 1 . 1 202 202 PRO CA C 13 62.383 . . 1 . . 819 . . 223 PRO CA . 50899 1
875 . 1 . 1 202 202 PRO CB C 13 32.546 . . 1 . . 821 . . 223 PRO CB . 50899 1
876 . 1 . 1 203 203 ASP H H 1 8.177 0.001 . 1 . . 159 . . 224 ASP H . 50899 1
877 . 1 . 1 203 203 ASP C C 13 174.721 0.002 . 1 . . 539 . . 224 ASP C . 50899 1
878 . 1 . 1 203 203 ASP CA C 13 53.785 0.003 . 1 . . 541 . . 224 ASP CA . 50899 1
879 . 1 . 1 203 203 ASP CB C 13 41.595 0.043 . 1 . . 540 . . 224 ASP CB . 50899 1
880 . 1 . 1 203 203 ASP N N 15 120.720 0.009 . 1 . . 160 . . 224 ASP N . 50899 1
881 . 1 . 1 204 204 MET H H 1 7.705 0.0 . 1 . . 117 . . 225 MET H . 50899 1
882 . 1 . 1 204 204 MET C C 13 180.210 . . 1 . . 467 . . 225 MET C . 50899 1
883 . 1 . 1 204 204 MET CA C 13 56.436 . . 1 . . 469 . . 225 MET CA . 50899 1
884 . 1 . 1 204 204 MET CB C 13 34.521 . . 1 . . 468 . . 225 MET CB . 50899 1
885 . 1 . 1 204 204 MET N N 15 125.722 0.006 . 1 . . 118 . . 225 MET N . 50899 1
stop_
save_