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 18523
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $SDS
_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' 1 $13C_15NH_SP12 isotropic 18523 1
2 '3D HNCO' 1 $13C_15NH_SP12 isotropic 18523 1
3 'hncaco (H[N[ca[CO]]])' 1 $13C_15NH_SP12 isotropic 18523 1
4 '3D CBCA(CO)NH' 1 $13C_15NH_SP12 isotropic 18523 1
5 '3D HNCACB' 1 $13C_15NH_SP12 isotropic 18523 1
6 '2D 1H-13C HSQC/HMQC' 1 $13C_15NH_SP12 isotropic 18523 1
7 '3D HNCA' 1 $13C_15NH_SP12 isotropic 18523 1
8 '3D HBHA(CO)NH' 1 $13C_15NH_SP12 isotropic 18523 1
9 '3D 1H-15N NOESY' 2 $15N_HSP12 isotropic 18523 1
10 'hbhanh (H{ca|cca}NH)' 1 $13C_15NH_SP12 isotropic 18523 1
11 '3D HCCH-TOCSY' 1 $13C_15NH_SP12 isotropic 18523 1
12 '3D 1H-13C NOESY' 1 $13C_15NH_SP12 isotropic 18523 1
13 'c-trosy-arom (H[C[caro]])' 1 $13C_15NH_SP12 isotropic 18523 1
14 'hncbcgcdhd (hbCBcgcdHD)' 1 $13C_15NH_SP12 isotropic 18523 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 HA H 1 4.522 0.001 . 1 . . 538 . . 2 SER HA . 18523 1
2 . 1 1 2 2 SER HB2 H 1 3.954 0.016 . 1 . . 539 . . 2 SER HB2 . 18523 1
3 . 1 1 2 2 SER HB3 H 1 3.922 0.031 . 1 . . 540 . . 2 SER HB3 . 18523 1
4 . 1 1 2 2 SER C C 13 174.175 0.001 . 1 . . 500 . . 2 SER C . 18523 1
5 . 1 1 2 2 SER CA C 13 58.499 0.018 . 1 . . 502 . . 2 SER CA . 18523 1
6 . 1 1 2 2 SER CB C 13 64.397 0.02 . 1 . . 501 . . 2 SER CB . 18523 1
7 . 1 1 3 3 ASP H H 1 8.410 0.004 . 1 . . 120 . . 3 ASP H . 18523 1
8 . 1 1 3 3 ASP HA H 1 4.538 0.008 . 1 . . 541 . . 3 ASP HA . 18523 1
9 . 1 1 3 3 ASP HB2 H 1 2.684 0.003 . 1 . . 542 . . 3 ASP HB2 . 18523 1
10 . 1 1 3 3 ASP HB3 H 1 2.684 0.003 . 1 . . 543 . . 3 ASP HB3 . 18523 1
11 . 1 1 3 3 ASP C C 13 176.286 0.007 . 1 . . 471 . . 3 ASP C . 18523 1
12 . 1 1 3 3 ASP CA C 13 55.185 0.02 . 1 . . 499 . . 3 ASP CA . 18523 1
13 . 1 1 3 3 ASP CB C 13 41.032 0.016 . 1 . . 470 . . 3 ASP CB . 18523 1
14 . 1 1 3 3 ASP N N 15 122.091 0.029 . 1 . . 121 . . 3 ASP N . 18523 1
15 . 1 1 4 4 ALA H H 1 8.071 0.003 . 1 . . 23 . . 4 ALA H . 18523 1
16 . 1 1 4 4 ALA HA H 1 4.277 0.009 . 1 . . 526 . . 4 ALA HA . 18523 1
17 . 1 1 4 4 ALA HB1 H 1 1.383 0.024 . 1 . . 525 . . 4 ALA HB1 . 18523 1
18 . 1 1 4 4 ALA HB2 H 1 1.383 0.024 . 1 . . 525 . . 4 ALA HB2 . 18523 1
19 . 1 1 4 4 ALA HB3 H 1 1.383 0.024 . 1 . . 525 . . 4 ALA HB3 . 18523 1
20 . 1 1 4 4 ALA C C 13 178.312 0.021 . 1 . . 498 . . 4 ALA C . 18523 1
21 . 1 1 4 4 ALA CA C 13 53.247 0.036 . 1 . . 497 . . 4 ALA CA . 18523 1
22 . 1 1 4 4 ALA CB C 13 19.416 0.025 . 1 . . 496 . . 4 ALA CB . 18523 1
23 . 1 1 4 4 ALA N N 15 122.703 0.027 . 1 . . 24 . . 4 ALA N . 18523 1
24 . 1 1 5 5 GLY H H 1 8.093 0.006 . 1 . . 167 . . 5 GLY H . 18523 1
25 . 1 1 5 5 GLY HA2 H 1 3.909 0.026 . 1 . . 544 . . 5 GLY HA2 . 18523 1
26 . 1 1 5 5 GLY HA3 H 1 3.960 0.013 . 1 . . 545 . . 5 GLY HA3 . 18523 1
27 . 1 1 5 5 GLY C C 13 174.305 0.025 . 1 . . 481 . . 5 GLY C . 18523 1
28 . 1 1 5 5 GLY CA C 13 45.777 0.055 . 1 . . 480 . . 5 GLY CA . 18523 1
29 . 1 1 5 5 GLY N N 15 107.315 0.118 . 1 . . 168 . . 5 GLY N . 18523 1
30 . 1 1 6 6 ARG H H 1 7.966 0.008 . 1 . . 208 . . 6 ARG H . 18523 1
31 . 1 1 6 6 ARG HA H 1 4.307 0.014 . 1 . . 546 . . 6 ARG HA . 18523 1
32 . 1 1 6 6 ARG HB2 H 1 1.801 0.008 . 1 . . 548 . . 6 ARG HB2 . 18523 1
33 . 1 1 6 6 ARG HB3 H 1 1.911 0.007 . 1 . . 547 . . 6 ARG HB3 . 18523 1
34 . 1 1 6 6 ARG HG2 H 1 1.646 0.007 . 1 . . 884 . . 6 ARG HG2 . 18523 1
35 . 1 1 6 6 ARG HG3 H 1 1.646 0.007 . 1 . . 885 . . 6 ARG HG3 . 18523 1
36 . 1 1 6 6 ARG HD2 H 1 3.178 0.006 . 1 . . 882 . . 6 ARG HD2 . 18523 1
37 . 1 1 6 6 ARG HD3 H 1 3.178 0.006 . 1 . . 883 . . 6 ARG HD3 . 18523 1
38 . 1 1 6 6 ARG HE H 1 7.135 0.005 . 1 . . 210 . . 6 ARG HE . 18523 1
39 . 1 1 6 6 ARG C C 13 176.780 0.023 . 1 . . 419 . . 6 ARG C . 18523 1
40 . 1 1 6 6 ARG CA C 13 56.985 0.042 . 1 . . 483 . . 6 ARG CA . 18523 1
41 . 1 1 6 6 ARG CB C 13 30.829 0.047 . 1 . . 482 . . 6 ARG CB . 18523 1
42 . 1 1 6 6 ARG CG C 13 27.583 0.077 . 1 . . 887 . . 6 ARG CG . 18523 1
43 . 1 1 6 6 ARG CD C 13 43.699 0.023 . 1 . . 886 . . 6 ARG CD . 18523 1
44 . 1 1 6 6 ARG CZ C 13 159.655 . . 1 . . 1386 . . 6 ARG CZ . 18523 1
45 . 1 1 6 6 ARG N N 15 119.893 0.027 . 1 . . 209 . . 6 ARG N . 18523 1
46 . 1 1 6 6 ARG NE N 15 84.364 0.004 . 1 . . 211 . . 6 ARG NE . 18523 1
47 . 1 1 7 7 LYS H H 1 8.081 0.006 . 1 . . 112 . . 7 LYS H . 18523 1
48 . 1 1 7 7 LYS HA H 1 4.244 0.019 . 1 . . 549 . . 7 LYS HA . 18523 1
49 . 1 1 7 7 LYS HB2 H 1 1.762 0.016 . 1 . . 550 . . 7 LYS HB2 . 18523 1
50 . 1 1 7 7 LYS HB3 H 1 1.761 0.016 . 1 . . 551 . . 7 LYS HB3 . 18523 1
51 . 1 1 7 7 LYS HG2 H 1 1.419 0.008 . 1 . . 892 . . 7 LYS HG2 . 18523 1
52 . 1 1 7 7 LYS HG3 H 1 1.427 0.021 . 1 . . 891 . . 7 LYS HG3 . 18523 1
53 . 1 1 7 7 LYS HD2 H 1 1.667 0.009 . 1 . . 894 . . 7 LYS HD2 . 18523 1
54 . 1 1 7 7 LYS HD3 H 1 1.672 0.022 . 1 . . 893 . . 7 LYS HD3 . 18523 1
55 . 1 1 7 7 LYS HE2 H 1 2.988 0.004 . 1 . . 889 . . 7 LYS HE2 . 18523 1
56 . 1 1 7 7 LYS HE3 H 1 2.988 0.004 . 1 . . 888 . . 7 LYS HE3 . 18523 1
57 . 1 1 7 7 LYS C C 13 177.225 0.039 . 1 . . 485 . . 7 LYS C . 18523 1
58 . 1 1 7 7 LYS CA C 13 57.158 0.038 . 1 . . 488 . . 7 LYS CA . 18523 1
59 . 1 1 7 7 LYS CB C 13 32.911 0.064 . 1 . . 484 . . 7 LYS CB . 18523 1
60 . 1 1 7 7 LYS CG C 13 24.951 0.001 . 1 . . 890 . . 7 LYS CG . 18523 1
61 . 1 1 7 7 LYS CD C 13 29.228 0.025 . 1 . . 895 . . 7 LYS CD . 18523 1
62 . 1 1 7 7 LYS CE C 13 42.516 0.005 . 1 . . 896 . . 7 LYS CE . 18523 1
63 . 1 1 7 7 LYS N N 15 120.244 0.024 . 1 . . 113 . . 7 LYS N . 18523 1
64 . 1 1 8 8 GLY H H 1 8.061 0.006 . 1 . . 47 . . 8 GLY H . 18523 1
65 . 1 1 8 8 GLY HA2 H 1 3.928 0.018 . 1 . . 552 . . 8 GLY HA2 . 18523 1
66 . 1 1 8 8 GLY HA3 H 1 3.949 0.005 . 1 . . 553 . . 8 GLY HA3 . 18523 1
67 . 1 1 8 8 GLY C C 13 174.995 0.012 . 1 . . 487 . . 8 GLY C . 18523 1
68 . 1 1 8 8 GLY CA C 13 46.076 0.053 . 1 . . 486 . . 8 GLY CA . 18523 1
69 . 1 1 8 8 GLY N N 15 107.942 0.071 . 1 . . 48 . . 8 GLY N . 18523 1
70 . 1 1 9 9 PHE H H 1 7.999 0.008 . 1 . . 55 . . 9 PHE H . 18523 1
71 . 1 1 9 9 PHE HA H 1 4.372 0.004 . 1 . . 554 . . 9 PHE HA . 18523 1
72 . 1 1 9 9 PHE HB2 H 1 3.103 0.015 . 1 . . 555 . . 9 PHE HB2 . 18523 1
73 . 1 1 9 9 PHE HB3 H 1 3.106 0.015 . 1 . . 556 . . 9 PHE HB3 . 18523 1
74 . 1 1 9 9 PHE HD1 H 1 7.206 0.003 . 3 . . 1122 . . 9 PHE HD1 . 18523 1
75 . 1 1 9 9 PHE HD2 H 1 7.206 0.003 . 3 . . 1122 . . 9 PHE HD2 . 18523 1
76 . 1 1 9 9 PHE HE1 H 1 7.202 . . 3 . . 1145 . . 9 PHE HE1 . 18523 1
77 . 1 1 9 9 PHE HE2 H 1 7.202 . . 3 . . 1145 . . 9 PHE HE2 . 18523 1
78 . 1 1 9 9 PHE HZ H 1 7.088 . . 1 . . 1147 . . 9 PHE HZ . 18523 1
79 . 1 1 9 9 PHE C C 13 176.940 0.004 . 1 . . 489 . . 9 PHE C . 18523 1
80 . 1 1 9 9 PHE CA C 13 60.169 0.056 . 1 . . 491 . . 9 PHE CA . 18523 1
81 . 1 1 9 9 PHE CB C 13 39.613 0.034 . 1 . . 490 . . 9 PHE CB . 18523 1
82 . 1 1 9 9 PHE CD1 C 13 132.245 . . 3 . . 1132 . . 9 PHE CD1 . 18523 1
83 . 1 1 9 9 PHE CD2 C 13 132.245 . . 3 . . 1132 . . 9 PHE CD2 . 18523 1
84 . 1 1 9 9 PHE CE1 C 13 131.508 . . 3 . . 1146 . . 9 PHE CE1 . 18523 1
85 . 1 1 9 9 PHE CE2 C 13 131.508 . . 3 . . 1146 . . 9 PHE CE2 . 18523 1
86 . 1 1 9 9 PHE CZ C 13 129.592 . . 1 . . 1148 . . 9 PHE CZ . 18523 1
87 . 1 1 9 9 PHE N N 15 120.285 0.04 . 1 . . 56 . . 9 PHE N . 18523 1
88 . 1 1 10 10 GLY H H 1 8.375 0.007 . 1 . . 67 . . 10 GLY H . 18523 1
89 . 1 1 10 10 GLY HA2 H 1 3.686 0.005 . 1 . . 730 . . 10 GLY HA2 . 18523 1
90 . 1 1 10 10 GLY HA3 H 1 3.963 0.005 . 1 . . 731 . . 10 GLY HA3 . 18523 1
91 . 1 1 10 10 GLY C C 13 175.457 0.001 . 1 . . 493 . . 10 GLY C . 18523 1
92 . 1 1 10 10 GLY CA C 13 47.010 0.012 . 1 . . 492 . . 10 GLY CA . 18523 1
93 . 1 1 10 10 GLY N N 15 107.724 0.04 . 1 . . 68 . . 10 GLY N . 18523 1
94 . 1 1 11 11 GLU H H 1 7.942 0.01 . 1 . . 39 . . 11 GLU H . 18523 1
95 . 1 1 11 11 GLU HA H 1 4.075 0.005 . 1 . . 736 . . 11 GLU HA . 18523 1
96 . 1 1 11 11 GLU HB2 H 1 2.044 0.007 . 1 . . 738 . . 11 GLU HB2 . 18523 1
97 . 1 1 11 11 GLU HB3 H 1 2.044 0.007 . 1 . . 735 . . 11 GLU HB3 . 18523 1
98 . 1 1 11 11 GLU HG2 H 1 2.255 0.033 . 1 . . 897 . . 11 GLU HG2 . 18523 1
99 . 1 1 11 11 GLU HG3 H 1 2.290 0.031 . 1 . . 898 . . 11 GLU HG3 . 18523 1
100 . 1 1 11 11 GLU C C 13 178.472 0.027 . 1 . . 733 . . 11 GLU C . 18523 1
101 . 1 1 11 11 GLU CA C 13 59.087 0.031 . 1 . . 734 . . 11 GLU CA . 18523 1
102 . 1 1 11 11 GLU CB C 13 29.756 0.084 . 1 . . 737 . . 11 GLU CB . 18523 1
103 . 1 1 11 11 GLU CG C 13 36.315 0.043 . 1 . . 899 . . 11 GLU CG . 18523 1
104 . 1 1 11 11 GLU N N 15 120.950 0.02 . 1 . . 40 . . 11 GLU N . 18523 1
105 . 1 1 12 12 LYS H H 1 7.851 0.019 . 1 . . 173 . . 12 LYS H . 18523 1
106 . 1 1 12 12 LYS HA H 1 4.112 0.003 . 1 . . 742 . . 12 LYS HA . 18523 1
107 . 1 1 12 12 LYS HB2 H 1 1.818 0.014 . 1 . . 741 . . 12 LYS HB2 . 18523 1
108 . 1 1 12 12 LYS HB3 H 1 1.847 0.012 . 1 . . 743 . . 12 LYS HB3 . 18523 1
109 . 1 1 12 12 LYS HG2 H 1 1.446 0.01 . 1 . . 904 . . 12 LYS HG2 . 18523 1
110 . 1 1 12 12 LYS HG3 H 1 1.493 0.019 . 1 . . 905 . . 12 LYS HG3 . 18523 1
111 . 1 1 12 12 LYS HD2 H 1 1.656 0.02 . 1 . . 902 . . 12 LYS HD2 . 18523 1
112 . 1 1 12 12 LYS HD3 H 1 1.656 0.02 . 1 . . 903 . . 12 LYS HD3 . 18523 1
113 . 1 1 12 12 LYS HE2 H 1 2.962 0.003 . 1 . . 900 . . 12 LYS HE2 . 18523 1
114 . 1 1 12 12 LYS HE3 H 1 2.962 0.003 . 1 . . 901 . . 12 LYS HE3 . 18523 1
115 . 1 1 12 12 LYS C C 13 178.544 . . 1 . . 755 . . 12 LYS C . 18523 1
116 . 1 1 12 12 LYS CA C 13 58.591 0.054 . 1 . . 739 . . 12 LYS CA . 18523 1
117 . 1 1 12 12 LYS CB C 13 32.522 0.052 . 1 . . 740 . . 12 LYS CB . 18523 1
118 . 1 1 12 12 LYS CE C 13 42.513 0.026 . 1 . . 906 . . 12 LYS CE . 18523 1
119 . 1 1 12 12 LYS N N 15 118.961 0.028 . 1 . . 174 . . 12 LYS N . 18523 1
120 . 1 1 13 13 ALA H H 1 8.159 0.008 . 1 . . 81 . . 13 ALA H . 18523 1
121 . 1 1 13 13 ALA HA H 1 3.988 0.004 . 1 . . 747 . . 13 ALA HA . 18523 1
122 . 1 1 13 13 ALA HB1 H 1 1.300 0.021 . 1 . . 746 . . 13 ALA HB1 . 18523 1
123 . 1 1 13 13 ALA HB2 H 1 1.300 0.021 . 1 . . 746 . . 13 ALA HB2 . 18523 1
124 . 1 1 13 13 ALA HB3 H 1 1.300 0.021 . 1 . . 746 . . 13 ALA HB3 . 18523 1
125 . 1 1 13 13 ALA C C 13 178.388 . . 1 . . 754 . . 13 ALA C . 18523 1
126 . 1 1 13 13 ALA CA C 13 54.929 0.05 . 1 . . 744 . . 13 ALA CA . 18523 1
127 . 1 1 13 13 ALA CB C 13 18.577 0.021 . 1 . . 745 . . 13 ALA CB . 18523 1
128 . 1 1 13 13 ALA N N 15 121.313 0.029 . 1 . . 82 . . 13 ALA N . 18523 1
129 . 1 1 14 14 SER H H 1 7.943 0.002 . 1 . . 191 . . 14 SER H . 18523 1
130 . 1 1 14 14 SER HA H 1 4.085 0.004 . 1 . . 751 . . 14 SER HA . 18523 1
131 . 1 1 14 14 SER HB2 H 1 3.941 0.015 . 1 . . 750 . . 14 SER HB2 . 18523 1
132 . 1 1 14 14 SER HB3 H 1 3.965 0.009 . 1 . . 752 . . 14 SER HB3 . 18523 1
133 . 1 1 14 14 SER C C 13 176.173 . . 1 . . 753 . . 14 SER C . 18523 1
134 . 1 1 14 14 SER CA C 13 61.347 0.018 . 1 . . 748 . . 14 SER CA . 18523 1
135 . 1 1 14 14 SER CB C 13 63.414 0.027 . 1 . . 749 . . 14 SER CB . 18523 1
136 . 1 1 14 14 SER N N 15 111.092 0.026 . 1 . . 192 . . 14 SER N . 18523 1
137 . 1 1 15 15 GLU H H 1 7.670 0.013 . 1 . . 245 . . 15 GLU H . 18523 1
138 . 1 1 15 15 GLU HA H 1 4.136 0.012 . 1 . . 756 . . 15 GLU HA . 18523 1
139 . 1 1 15 15 GLU HB2 H 1 2.073 0.008 . 1 . . 757 . . 15 GLU HB2 . 18523 1
140 . 1 1 15 15 GLU HB3 H 1 2.072 0.008 . 1 . . 758 . . 15 GLU HB3 . 18523 1
141 . 1 1 15 15 GLU HG2 H 1 2.297 0.006 . 1 . . 908 . . 15 GLU HG2 . 18523 1
142 . 1 1 15 15 GLU HG3 H 1 2.392 0.015 . 1 . . 907 . . 15 GLU HG3 . 18523 1
143 . 1 1 15 15 GLU C C 13 177.495 0.003 . 1 . . 431 . . 15 GLU C . 18523 1
144 . 1 1 15 15 GLU CA C 13 58.115 0.053 . 1 . . 429 . . 15 GLU CA . 18523 1
145 . 1 1 15 15 GLU CB C 13 29.902 0.028 . 1 . . 430 . . 15 GLU CB . 18523 1
146 . 1 1 15 15 GLU CG C 13 36.280 0.053 . 1 . . 909 . . 15 GLU CG . 18523 1
147 . 1 1 15 15 GLU N N 15 119.703 0.024 . 1 . . 246 . . 15 GLU N . 18523 1
148 . 1 1 16 16 ALA H H 1 7.671 0.004 . 1 . . 21 . . 16 ALA H . 18523 1
149 . 1 1 16 16 ALA HA H 1 4.242 0.005 . 1 . . 759 . . 16 ALA HA . 18523 1
150 . 1 1 16 16 ALA HB1 H 1 1.428 0.016 . 1 . . 760 . . 16 ALA HB1 . 18523 1
151 . 1 1 16 16 ALA HB2 H 1 1.428 0.016 . 1 . . 760 . . 16 ALA HB2 . 18523 1
152 . 1 1 16 16 ALA HB3 H 1 1.428 0.016 . 1 . . 760 . . 16 ALA HB3 . 18523 1
153 . 1 1 16 16 ALA C C 13 177.913 0.012 . 1 . . 428 . . 16 ALA C . 18523 1
154 . 1 1 16 16 ALA CA C 13 53.882 0.022 . 1 . . 426 . . 16 ALA CA . 18523 1
155 . 1 1 16 16 ALA CB C 13 19.658 0.015 . 1 . . 427 . . 16 ALA CB . 18523 1
156 . 1 1 16 16 ALA N N 15 120.536 0.036 . 1 . . 22 . . 16 ALA N . 18523 1
157 . 1 1 17 17 LEU H H 1 7.570 0.004 . 1 . . 43 . . 17 LEU H . 18523 1
158 . 1 1 17 17 LEU HA H 1 4.335 0.005 . 1 . . 766 . . 17 LEU HA . 18523 1
159 . 1 1 17 17 LEU HB2 H 1 1.593 0.006 . 1 . . 765 . . 17 LEU HB2 . 18523 1
160 . 1 1 17 17 LEU HB3 H 1 1.703 0.004 . 1 . . 764 . . 17 LEU HB3 . 18523 1
161 . 1 1 17 17 LEU HG H 1 1.710 0.004 . 1 . . 914 . . 17 LEU HG . 18523 1
162 . 1 1 17 17 LEU HD11 H 1 0.846 0.006 . 1 . . 911 . . 17 LEU HD11 . 18523 1
163 . 1 1 17 17 LEU HD12 H 1 0.846 0.006 . 1 . . 911 . . 17 LEU HD12 . 18523 1
164 . 1 1 17 17 LEU HD13 H 1 0.846 0.006 . 1 . . 911 . . 17 LEU HD13 . 18523 1
165 . 1 1 17 17 LEU HD21 H 1 0.821 0.021 . 1 . . 913 . . 17 LEU HD21 . 18523 1
166 . 1 1 17 17 LEU HD22 H 1 0.821 0.021 . 1 . . 913 . . 17 LEU HD22 . 18523 1
167 . 1 1 17 17 LEU HD23 H 1 0.821 0.021 . 1 . . 913 . . 17 LEU HD23 . 18523 1
168 . 1 1 17 17 LEU C C 13 176.217 0.012 . 1 . . 761 . . 17 LEU C . 18523 1
169 . 1 1 17 17 LEU CA C 13 55.090 0.024 . 1 . . 763 . . 17 LEU CA . 18523 1
170 . 1 1 17 17 LEU CB C 13 42.704 0.031 . 1 . . 762 . . 17 LEU CB . 18523 1
171 . 1 1 17 17 LEU CG C 13 27.351 0.04 . 1 . . 915 . . 17 LEU CG . 18523 1
172 . 1 1 17 17 LEU CD1 C 13 25.653 0.031 . 1 . . 910 . . 17 LEU CD1 . 18523 1
173 . 1 1 17 17 LEU CD2 C 13 23.688 0.037 . 1 . . 912 . . 17 LEU CD2 . 18523 1
174 . 1 1 17 17 LEU N N 15 116.276 0.043 . 1 . . 44 . . 17 LEU N . 18523 1
175 . 1 1 18 18 LYS H H 1 7.661 0.004 . 1 . . 154 . . 18 LYS H . 18523 1
176 . 1 1 18 18 LYS HA H 1 4.537 0.004 . 1 . . 767 . . 18 LYS HA . 18523 1
177 . 1 1 18 18 LYS HB2 H 1 1.817 0.015 . 1 . . 768 . . 18 LYS HB2 . 18523 1
178 . 1 1 18 18 LYS HB3 H 1 1.822 0.016 . 1 . . 769 . . 18 LYS HB3 . 18523 1
179 . 1 1 18 18 LYS HG2 H 1 1.439 0.0 . 1 . . 1422 . . 18 LYS HG2 . 18523 1
180 . 1 1 18 18 LYS HG3 H 1 1.508 0.009 . 1 . . 1423 . . 18 LYS HG3 . 18523 1
181 . 1 1 18 18 LYS HD2 H 1 1.698 0.002 . 1 . . 1417 . . 18 LYS HD2 . 18523 1
182 . 1 1 18 18 LYS HD3 H 1 1.698 0.002 . 1 . . 1418 . . 18 LYS HD3 . 18523 1
183 . 1 1 18 18 LYS HE2 H 1 2.991 . . 1 . . 1420 . . 18 LYS HE2 . 18523 1
184 . 1 1 18 18 LYS HE3 H 1 2.991 . . 1 . . 1419 . . 18 LYS HE3 . 18523 1
185 . 1 1 18 18 LYS C C 13 174.857 . . 1 . . 772 . . 18 LYS C . 18523 1
186 . 1 1 18 18 LYS CA C 13 54.624 0.047 . 1 . . 770 . . 18 LYS CA . 18523 1
187 . 1 1 18 18 LYS CB C 13 32.590 0.063 . 1 . . 771 . . 18 LYS CB . 18523 1
188 . 1 1 18 18 LYS CG C 13 25.326 0.012 . 1 . . 1421 . . 18 LYS CG . 18523 1
189 . 1 1 18 18 LYS CD C 13 29.435 0.027 . 1 . . 1416 . . 18 LYS CD . 18523 1
190 . 1 1 18 18 LYS N N 15 119.921 0.049 . 1 . . 155 . . 18 LYS N . 18523 1
191 . 1 1 19 19 PRO HA H 1 4.426 0.006 . 1 . . 557 . . 19 PRO HA . 18523 1
192 . 1 1 19 19 PRO HB2 H 1 1.961 0.021 . 1 . . 558 . . 19 PRO HB2 . 18523 1
193 . 1 1 19 19 PRO HB3 H 1 2.270 0.006 . 1 . . 559 . . 19 PRO HB3 . 18523 1
194 . 1 1 19 19 PRO HG2 H 1 1.963 0.024 . 1 . . 1396 . . 19 PRO HG2 . 18523 1
195 . 1 1 19 19 PRO HG3 H 1 2.012 0.012 . 1 . . 1397 . . 19 PRO HG3 . 18523 1
196 . 1 1 19 19 PRO HD2 H 1 3.676 0.006 . 1 . . 1392 . . 19 PRO HD2 . 18523 1
197 . 1 1 19 19 PRO HD3 H 1 3.792 0.004 . 1 . . 1394 . . 19 PRO HD3 . 18523 1
198 . 1 1 19 19 PRO C C 13 177.022 . . 1 . . 411 . . 19 PRO C . 18523 1
199 . 1 1 19 19 PRO CA C 13 64.066 0.021 . 1 . . 410 . . 19 PRO CA . 18523 1
200 . 1 1 19 19 PRO CB C 13 32.312 0.059 . 1 . . 409 . . 19 PRO CB . 18523 1
201 . 1 1 19 19 PRO CG C 13 27.601 0.016 . 1 . . 1395 . . 19 PRO CG . 18523 1
202 . 1 1 19 19 PRO CD C 13 50.870 0.088 . 1 . . 1393 . . 19 PRO CD . 18523 1
203 . 1 1 20 20 ASP H H 1 8.310 0.003 . 1 . . 164 . . 20 ASP H . 18523 1
204 . 1 1 20 20 ASP HA H 1 4.562 0.015 . 1 . . 560 . . 20 ASP HA . 18523 1
205 . 1 1 20 20 ASP HB2 H 1 2.672 0.014 . 1 . . 561 . . 20 ASP HB2 . 18523 1
206 . 1 1 20 20 ASP HB3 H 1 2.708 0.013 . 1 . . 562 . . 20 ASP HB3 . 18523 1
207 . 1 1 20 20 ASP C C 13 176.682 0.008 . 1 . . 407 . . 20 ASP C . 18523 1
208 . 1 1 20 20 ASP CA C 13 54.771 0.115 . 1 . . 408 . . 20 ASP CA . 18523 1
209 . 1 1 20 20 ASP CB C 13 41.377 0.012 . 1 . . 406 . . 20 ASP CB . 18523 1
210 . 1 1 20 20 ASP N N 15 118.921 0.048 . 1 . . 165 . . 20 ASP N . 18523 1
211 . 1 1 21 21 SER H H 1 7.987 0.003 . 1 . . 63 . . 21 SER H . 18523 1
212 . 1 1 21 21 SER HA H 1 4.351 0.008 . 1 . . 563 . . 21 SER HA . 18523 1
213 . 1 1 21 21 SER HB2 H 1 3.879 0.014 . 1 . . 564 . . 21 SER HB2 . 18523 1
214 . 1 1 21 21 SER HB3 H 1 3.932 0.012 . 1 . . 565 . . 21 SER HB3 . 18523 1
215 . 1 1 21 21 SER C C 13 174.892 0.012 . 1 . . 404 . . 21 SER C . 18523 1
216 . 1 1 21 21 SER CA C 13 59.304 0.043 . 1 . . 403 . . 21 SER CA . 18523 1
217 . 1 1 21 21 SER CB C 13 64.036 0.029 . 1 . . 405 . . 21 SER CB . 18523 1
218 . 1 1 21 21 SER N N 15 115.798 0.038 . 1 . . 64 . . 21 SER N . 18523 1
219 . 1 1 22 22 GLN H H 1 8.377 0.006 . 1 . . 139 . . 22 GLN H . 18523 1
220 . 1 1 22 22 GLN HA H 1 4.248 0.017 . 1 . . 568 . . 22 GLN HA . 18523 1
221 . 1 1 22 22 GLN HB2 H 1 2.007 0.011 . 1 . . 566 . . 22 GLN HB2 . 18523 1
222 . 1 1 22 22 GLN HB3 H 1 2.150 0.007 . 1 . . 567 . . 22 GLN HB3 . 18523 1
223 . 1 1 22 22 GLN HG2 H 1 2.325 0.019 . 1 . . 1424 . . 22 GLN HG2 . 18523 1
224 . 1 1 22 22 GLN HG3 H 1 2.354 0.011 . 1 . . 1425 . . 22 GLN HG3 . 18523 1
225 . 1 1 22 22 GLN C C 13 176.048 0.02 . 1 . . 368 . . 22 GLN C . 18523 1
226 . 1 1 22 22 GLN CA C 13 56.973 0.034 . 1 . . 337 . . 22 GLN CA . 18523 1
227 . 1 1 22 22 GLN CB C 13 29.252 0.051 . 1 . . 338 . . 22 GLN CB . 18523 1
228 . 1 1 22 22 GLN CG C 13 34.376 0.022 . 1 . . 1426 . . 22 GLN CG . 18523 1
229 . 1 1 22 22 GLN N N 15 120.587 0.027 . 1 . . 140 . . 22 GLN N . 18523 1
230 . 1 1 23 23 LYS H H 1 7.871 0.013 . 1 . . 3 . . 23 LYS H . 18523 1
231 . 1 1 23 23 LYS HA H 1 4.292 0.007 . 1 . . 569 . . 23 LYS HA . 18523 1
232 . 1 1 23 23 LYS HB2 H 1 1.615 0.011 . 1 . . 570 . . 23 LYS HB2 . 18523 1
233 . 1 1 23 23 LYS HB3 H 1 1.615 0.011 . 1 . . 571 . . 23 LYS HB3 . 18523 1
234 . 1 1 23 23 LYS HG2 H 1 1.297 0.025 . 1 . . 966 . . 23 LYS HG2 . 18523 1
235 . 1 1 23 23 LYS HG3 H 1 1.307 0.023 . 1 . . 967 . . 23 LYS HG3 . 18523 1
236 . 1 1 23 23 LYS HD2 H 1 1.591 0.003 . 1 . . 968 . . 23 LYS HD2 . 18523 1
237 . 1 1 23 23 LYS HD3 H 1 1.591 0.003 . 1 . . 969 . . 23 LYS HD3 . 18523 1
238 . 1 1 23 23 LYS HE2 H 1 2.926 0.005 . 1 . . 970 . . 23 LYS HE2 . 18523 1
239 . 1 1 23 23 LYS HE3 H 1 2.926 0.005 . 1 . . 971 . . 23 LYS HE3 . 18523 1
240 . 1 1 23 23 LYS C C 13 176.223 0.007 . 1 . . 336 . . 23 LYS C . 18523 1
241 . 1 1 23 23 LYS CA C 13 56.398 0.024 . 1 . . 345 . . 23 LYS CA . 18523 1
242 . 1 1 23 23 LYS CB C 13 33.714 0.059 . 1 . . 339 . . 23 LYS CB . 18523 1
243 . 1 1 23 23 LYS CG C 13 25.016 0.026 . 1 . . 972 . . 23 LYS CG . 18523 1
244 . 1 1 23 23 LYS CD C 13 29.174 0.03 . 1 . . 973 . . 23 LYS CD . 18523 1
245 . 1 1 23 23 LYS CE C 13 42.448 0.03 . 1 . . 974 . . 23 LYS CE . 18523 1
246 . 1 1 23 23 LYS N N 15 120.243 0.032 . 1 . . 4 . . 23 LYS N . 18523 1
247 . 1 1 24 24 SER H H 1 8.258 0.011 . 1 . . 61 . . 24 SER H . 18523 1
248 . 1 1 24 24 SER HA H 1 4.473 0.014 . 1 . . 524 . . 24 SER HA . 18523 1
249 . 1 1 24 24 SER HB2 H 1 3.891 0.006 . 1 . . 529 . . 24 SER HB2 . 18523 1
250 . 1 1 24 24 SER HB3 H 1 4.059 0.005 . 1 . . 528 . . 24 SER HB3 . 18523 1
251 . 1 1 24 24 SER C C 13 175.763 0.015 . 1 . . 341 . . 24 SER C . 18523 1
252 . 1 1 24 24 SER CA C 13 58.374 0.022 . 1 . . 346 . . 24 SER CA . 18523 1
253 . 1 1 24 24 SER CB C 13 63.839 0.037 . 1 . . 340 . . 24 SER CB . 18523 1
254 . 1 1 24 24 SER N N 15 116.955 0.059 . 1 . . 62 . . 24 SER N . 18523 1
255 . 1 1 25 25 TYR H H 1 8.124 0.008 . 1 . . 124 . . 25 TYR H . 18523 1
256 . 1 1 25 25 TYR HA H 1 4.351 0.004 . 1 . . 572 . . 25 TYR HA . 18523 1
257 . 1 1 25 25 TYR HB2 H 1 2.995 0.009 . 1 . . 573 . . 25 TYR HB2 . 18523 1
258 . 1 1 25 25 TYR HB3 H 1 2.996 0.008 . 1 . . 574 . . 25 TYR HB3 . 18523 1
259 . 1 1 25 25 TYR HD1 H 1 7.121 0.003 . 3 . . 1121 . . 25 TYR HD1 . 18523 1
260 . 1 1 25 25 TYR HD2 H 1 7.121 0.003 . 3 . . 1121 . . 25 TYR HD2 . 18523 1
261 . 1 1 25 25 TYR HE1 H 1 6.828 0.002 . 3 . . 1133 . . 25 TYR HE1 . 18523 1
262 . 1 1 25 25 TYR HE2 H 1 6.828 0.002 . 3 . . 1133 . . 25 TYR HE2 . 18523 1
263 . 1 1 25 25 TYR C C 13 177.750 0.008 . 1 . . 343 . . 25 TYR C . 18523 1
264 . 1 1 25 25 TYR CA C 13 61.077 0.065 . 1 . . 347 . . 25 TYR CA . 18523 1
265 . 1 1 25 25 TYR CB C 13 38.014 0.036 . 1 . . 342 . . 25 TYR CB . 18523 1
266 . 1 1 25 25 TYR CD1 C 13 133.204 0.062 . 3 . . 1127 . . 25 TYR CD1 . 18523 1
267 . 1 1 25 25 TYR CD2 C 13 133.204 0.062 . 3 . . 1127 . . 25 TYR CD2 . 18523 1
268 . 1 1 25 25 TYR CE1 C 13 119.035 0.148 . 3 . . 1134 . . 25 TYR CE1 . 18523 1
269 . 1 1 25 25 TYR CE2 C 13 119.035 0.148 . 3 . . 1134 . . 25 TYR CE2 . 18523 1
270 . 1 1 25 25 TYR N N 15 121.832 0.03 . 1 . . 125 . . 25 TYR N . 18523 1
271 . 1 1 26 26 ALA H H 1 8.175 0.006 . 1 . . 106 . . 26 ALA H . 18523 1
272 . 1 1 26 26 ALA HA H 1 4.034 0.007 . 1 . . 575 . . 26 ALA HA . 18523 1
273 . 1 1 26 26 ALA HB1 H 1 1.476 0.029 . 1 . . 576 . . 26 ALA HB1 . 18523 1
274 . 1 1 26 26 ALA HB2 H 1 1.476 0.029 . 1 . . 576 . . 26 ALA HB2 . 18523 1
275 . 1 1 26 26 ALA HB3 H 1 1.476 0.029 . 1 . . 576 . . 26 ALA HB3 . 18523 1
276 . 1 1 26 26 ALA C C 13 178.996 0.019 . 1 . . 369 . . 26 ALA C . 18523 1
277 . 1 1 26 26 ALA CA C 13 55.678 0.024 . 1 . . 348 . . 26 ALA CA . 18523 1
278 . 1 1 26 26 ALA CB C 13 18.553 0.029 . 1 . . 344 . . 26 ALA CB . 18523 1
279 . 1 1 26 26 ALA N N 15 120.938 0.044 . 1 . . 107 . . 26 ALA N . 18523 1
280 . 1 1 27 27 GLU H H 1 7.863 0.011 . 1 . . 181 . . 27 GLU H . 18523 1
281 . 1 1 27 27 GLU HA H 1 4.002 0.014 . 1 . . 579 . . 27 GLU HA . 18523 1
282 . 1 1 27 27 GLU HB2 H 1 2.058 0.008 . 1 . . 577 . . 27 GLU HB2 . 18523 1
283 . 1 1 27 27 GLU HB3 H 1 2.119 0.014 . 1 . . 578 . . 27 GLU HB3 . 18523 1
284 . 1 1 27 27 GLU HG2 H 1 2.295 0.019 . 1 . . 976 . . 27 GLU HG2 . 18523 1
285 . 1 1 27 27 GLU HG3 H 1 2.441 0.032 . 1 . . 975 . . 27 GLU HG3 . 18523 1
286 . 1 1 27 27 GLU C C 13 179.099 0.002 . 1 . . 370 . . 27 GLU C . 18523 1
287 . 1 1 27 27 GLU CA C 13 59.600 0.048 . 1 . . 352 . . 27 GLU CA . 18523 1
288 . 1 1 27 27 GLU CB C 13 29.518 0.089 . 1 . . 350 . . 27 GLU CB . 18523 1
289 . 1 1 27 27 GLU CG C 13 36.261 0.018 . 1 . . 977 . . 27 GLU CG . 18523 1
290 . 1 1 27 27 GLU N N 15 117.183 0.025 . 1 . . 182 . . 27 GLU N . 18523 1
291 . 1 1 28 28 GLN H H 1 8.099 0.009 . 1 . . 91 . . 28 GLN H . 18523 1
292 . 1 1 28 28 GLN HA H 1 4.154 0.004 . 1 . . 580 . . 28 GLN HA . 18523 1
293 . 1 1 28 28 GLN HB2 H 1 2.168 0.006 . 1 . . 582 . . 28 GLN HB2 . 18523 1
294 . 1 1 28 28 GLN HB3 H 1 2.168 0.006 . 1 . . 581 . . 28 GLN HB3 . 18523 1
295 . 1 1 28 28 GLN HG2 H 1 2.357 0.007 . 1 . . 978 . . 28 GLN HG2 . 18523 1
296 . 1 1 28 28 GLN HG3 H 1 2.454 0.006 . 1 . . 979 . . 28 GLN HG3 . 18523 1
297 . 1 1 28 28 GLN HE21 H 1 6.648 0.003 . 1 . . 89 . . 28 GLN HE21 . 18523 1
298 . 1 1 28 28 GLN HE22 H 1 7.027 0.003 . 1 . . 148 . . 28 GLN HE22 . 18523 1
299 . 1 1 28 28 GLN C C 13 179.164 0.006 . 1 . . 349 . . 28 GLN C . 18523 1
300 . 1 1 28 28 GLN CA C 13 58.998 0.027 . 1 . . 353 . . 28 GLN CA . 18523 1
301 . 1 1 28 28 GLN CB C 13 29.329 0.081 . 1 . . 351 . . 28 GLN CB . 18523 1
302 . 1 1 28 28 GLN CG C 13 34.801 0.026 . 1 . . 980 . . 28 GLN CG . 18523 1
303 . 1 1 28 28 GLN N N 15 118.430 0.03 . 1 . . 92 . . 28 GLN N . 18523 1
304 . 1 1 28 28 GLN NE2 N 15 110.328 0.02 . 1 . . 90 . . 28 GLN NE2 . 18523 1
305 . 1 1 29 29 GLY H H 1 8.731 0.006 . 1 . . 240 . . 29 GLY H . 18523 1
306 . 1 1 29 29 GLY HA2 H 1 3.661 0.004 . 1 . . 531 . . 29 GLY HA2 . 18523 1
307 . 1 1 29 29 GLY HA3 H 1 3.856 0.006 . 1 . . 530 . . 29 GLY HA3 . 18523 1
308 . 1 1 29 29 GLY C C 13 174.515 0.006 . 1 . . 354 . . 29 GLY C . 18523 1
309 . 1 1 29 29 GLY CA C 13 47.758 0.026 . 1 . . 355 . . 29 GLY CA . 18523 1
310 . 1 1 29 29 GLY N N 15 107.752 0.039 . 1 . . 241 . . 29 GLY N . 18523 1
311 . 1 1 30 30 LYS H H 1 8.351 0.006 . 1 . . 214 . . 30 LYS H . 18523 1
312 . 1 1 30 30 LYS HA H 1 3.931 0.007 . 1 . . 583 . . 30 LYS HA . 18523 1
313 . 1 1 30 30 LYS HB2 H 1 1.931 0.023 . 1 . . 584 . . 30 LYS HB2 . 18523 1
314 . 1 1 30 30 LYS HB3 H 1 2.003 0.011 . 1 . . 585 . . 30 LYS HB3 . 18523 1
315 . 1 1 30 30 LYS HG2 H 1 1.394 0.005 . 1 . . 983 . . 30 LYS HG2 . 18523 1
316 . 1 1 30 30 LYS HG3 H 1 1.549 0.006 . 1 . . 984 . . 30 LYS HG3 . 18523 1
317 . 1 1 30 30 LYS HD2 H 1 1.725 0.01 . 1 . . 981 . . 30 LYS HD2 . 18523 1
318 . 1 1 30 30 LYS HD3 H 1 1.725 0.01 . 1 . . 982 . . 30 LYS HD3 . 18523 1
319 . 1 1 30 30 LYS HE2 H 1 2.933 0.004 . 1 . . 986 . . 30 LYS HE2 . 18523 1
320 . 1 1 30 30 LYS HE3 H 1 2.933 0.004 . 1 . . 987 . . 30 LYS HE3 . 18523 1
321 . 1 1 30 30 LYS C C 13 178.975 0.001 . 1 . . 357 . . 30 LYS C . 18523 1
322 . 1 1 30 30 LYS CA C 13 60.582 0.047 . 1 . . 358 . . 30 LYS CA . 18523 1
323 . 1 1 30 30 LYS CB C 13 32.522 0.05 . 1 . . 356 . . 30 LYS CB . 18523 1
324 . 1 1 30 30 LYS CG C 13 25.758 0.061 . 1 . . 985 . . 30 LYS CG . 18523 1
325 . 1 1 30 30 LYS CD C 13 29.595 0.089 . 1 . . 988 . . 30 LYS CD . 18523 1
326 . 1 1 30 30 LYS CE C 13 42.391 0.014 . 1 . . 989 . . 30 LYS CE . 18523 1
327 . 1 1 30 30 LYS N N 15 121.223 0.032 . 1 . . 215 . . 30 LYS N . 18523 1
328 . 1 1 31 31 GLU H H 1 8.046 0.009 . 1 . . 114 . . 31 GLU H . 18523 1
329 . 1 1 31 31 GLU HA H 1 4.013 0.009 . 1 . . 586 . . 31 GLU HA . 18523 1
330 . 1 1 31 31 GLU HB2 H 1 2.133 0.01 . 1 . . 587 . . 31 GLU HB2 . 18523 1
331 . 1 1 31 31 GLU HB3 H 1 2.132 0.01 . 1 . . 588 . . 31 GLU HB3 . 18523 1
332 . 1 1 31 31 GLU HG2 H 1 2.291 0.004 . 1 . . 990 . . 31 GLU HG2 . 18523 1
333 . 1 1 31 31 GLU HG3 H 1 2.441 0.013 . 1 . . 991 . . 31 GLU HG3 . 18523 1
334 . 1 1 31 31 GLU C C 13 178.122 0.015 . 1 . . 360 . . 31 GLU C . 18523 1
335 . 1 1 31 31 GLU CA C 13 59.704 0.057 . 1 . . 361 . . 31 GLU CA . 18523 1
336 . 1 1 31 31 GLU CB C 13 29.332 0.019 . 1 . . 359 . . 31 GLU CB . 18523 1
337 . 1 1 31 31 GLU CG C 13 36.234 0.007 . 1 . . 992 . . 31 GLU CG . 18523 1
338 . 1 1 31 31 GLU N N 15 119.717 0.033 . 1 . . 115 . . 31 GLU N . 18523 1
339 . 1 1 32 32 TYR H H 1 8.010 0.009 . 1 . . 53 . . 32 TYR H . 18523 1
340 . 1 1 32 32 TYR HA H 1 4.245 0.006 . 1 . . 589 . . 32 TYR HA . 18523 1
341 . 1 1 32 32 TYR HB2 H 1 3.206 0.005 . 1 . . 591 . . 32 TYR HB2 . 18523 1
342 . 1 1 32 32 TYR HB3 H 1 3.206 0.005 . 1 . . 590 . . 32 TYR HB3 . 18523 1
343 . 1 1 32 32 TYR HD1 H 1 7.053 0.004 . 3 . . 1126 . . 32 TYR HD1 . 18523 1
344 . 1 1 32 32 TYR HD2 H 1 7.053 0.004 . 3 . . 1126 . . 32 TYR HD2 . 18523 1
345 . 1 1 32 32 TYR HE1 H 1 6.737 0.004 . 3 . . 1139 . . 32 TYR HE1 . 18523 1
346 . 1 1 32 32 TYR HE2 H 1 6.737 0.004 . 3 . . 1139 . . 32 TYR HE2 . 18523 1
347 . 1 1 32 32 TYR C C 13 178.086 0.01 . 1 . . 363 . . 32 TYR C . 18523 1
348 . 1 1 32 32 TYR CA C 13 61.917 0.033 . 1 . . 367 . . 32 TYR CA . 18523 1
349 . 1 1 32 32 TYR CB C 13 39.165 0.047 . 1 . . 362 . . 32 TYR CB . 18523 1
350 . 1 1 32 32 TYR CD1 C 13 133.747 0.044 . 3 . . 1130 . . 32 TYR CD1 . 18523 1
351 . 1 1 32 32 TYR CD2 C 13 133.747 0.044 . 3 . . 1130 . . 32 TYR CD2 . 18523 1
352 . 1 1 32 32 TYR CE1 C 13 118.609 . . 3 . . 1140 . . 32 TYR CE1 . 18523 1
353 . 1 1 32 32 TYR CE2 C 13 118.609 . . 3 . . 1140 . . 32 TYR CE2 . 18523 1
354 . 1 1 32 32 TYR N N 15 119.711 0.026 . 1 . . 54 . . 32 TYR N . 18523 1
355 . 1 1 33 33 ILE H H 1 8.195 0.007 . 1 . . 83 . . 33 ILE H . 18523 1
356 . 1 1 33 33 ILE HA H 1 3.767 0.004 . 1 . . 592 . . 33 ILE HA . 18523 1
357 . 1 1 33 33 ILE HB H 1 2.048 0.004 . 1 . . 593 . . 33 ILE HB . 18523 1
358 . 1 1 33 33 ILE HG12 H 1 1.393 0.007 . 1 . . 994 . . 33 ILE HG12 . 18523 1
359 . 1 1 33 33 ILE HG13 H 1 1.807 0.005 . 1 . . 993 . . 33 ILE HG13 . 18523 1
360 . 1 1 33 33 ILE HG21 H 1 0.976 0.01 . 1 . . 998 . . 33 ILE HG21 . 18523 1
361 . 1 1 33 33 ILE HG22 H 1 0.976 0.01 . 1 . . 998 . . 33 ILE HG22 . 18523 1
362 . 1 1 33 33 ILE HG23 H 1 0.976 0.01 . 1 . . 998 . . 33 ILE HG23 . 18523 1
363 . 1 1 33 33 ILE HD11 H 1 0.902 0.01 . 1 . . 996 . . 33 ILE HD11 . 18523 1
364 . 1 1 33 33 ILE HD12 H 1 0.902 0.01 . 1 . . 996 . . 33 ILE HD12 . 18523 1
365 . 1 1 33 33 ILE HD13 H 1 0.902 0.01 . 1 . . 996 . . 33 ILE HD13 . 18523 1
366 . 1 1 33 33 ILE C C 13 177.582 0.001 . 1 . . 365 . . 33 ILE C . 18523 1
367 . 1 1 33 33 ILE CA C 13 64.214 0.034 . 1 . . 366 . . 33 ILE CA . 18523 1
368 . 1 1 33 33 ILE CB C 13 38.224 0.047 . 1 . . 364 . . 33 ILE CB . 18523 1
369 . 1 1 33 33 ILE CG1 C 13 29.161 0.028 . 1 . . 999 . . 33 ILE CG1 . 18523 1
370 . 1 1 33 33 ILE CG2 C 13 18.238 0.033 . 1 . . 997 . . 33 ILE CG2 . 18523 1
371 . 1 1 33 33 ILE CD1 C 13 13.328 0.024 . 1 . . 995 . . 33 ILE CD1 . 18523 1
372 . 1 1 33 33 ILE N N 15 116.722 0.04 . 1 . . 84 . . 33 ILE N . 18523 1
373 . 1 1 34 34 THR H H 1 8.212 0.006 . 1 . . 146 . . 34 THR H . 18523 1
374 . 1 1 34 34 THR HA H 1 3.902 0.004 . 1 . . 533 . . 34 THR HA . 18523 1
375 . 1 1 34 34 THR HB H 1 4.276 0.005 . 1 . . 532 . . 34 THR HB . 18523 1
376 . 1 1 34 34 THR HG21 H 1 1.285 0.017 . 1 . . 1000 . . 34 THR HG21 . 18523 1
377 . 1 1 34 34 THR HG22 H 1 1.285 0.017 . 1 . . 1000 . . 34 THR HG22 . 18523 1
378 . 1 1 34 34 THR HG23 H 1 1.285 0.017 . 1 . . 1000 . . 34 THR HG23 . 18523 1
379 . 1 1 34 34 THR C C 13 176.573 0.02 . 1 . . 372 . . 34 THR C . 18523 1
380 . 1 1 34 34 THR CA C 13 66.631 0.05 . 1 . . 375 . . 34 THR CA . 18523 1
381 . 1 1 34 34 THR CB C 13 68.954 0.023 . 1 . . 371 . . 34 THR CB . 18523 1
382 . 1 1 34 34 THR CG2 C 13 22.021 0.022 . 1 . . 1001 . . 34 THR CG2 . 18523 1
383 . 1 1 34 34 THR N N 15 114.020 0.035 . 1 . . 147 . . 34 THR N . 18523 1
384 . 1 1 35 35 ASP H H 1 7.827 0.006 . 1 . . 177 . . 35 ASP H . 18523 1
385 . 1 1 35 35 ASP HA H 1 4.476 0.006 . 1 . . 594 . . 35 ASP HA . 18523 1
386 . 1 1 35 35 ASP HB2 H 1 2.633 0.026 . 1 . . 595 . . 35 ASP HB2 . 18523 1
387 . 1 1 35 35 ASP HB3 H 1 2.825 0.005 . 1 . . 596 . . 35 ASP HB3 . 18523 1
388 . 1 1 35 35 ASP C C 13 177.940 0.01 . 1 . . 373 . . 35 ASP C . 18523 1
389 . 1 1 35 35 ASP CA C 13 57.126 0.074 . 1 . . 376 . . 35 ASP CA . 18523 1
390 . 1 1 35 35 ASP CB C 13 41.776 0.042 . 1 . . 374 . . 35 ASP CB . 18523 1
391 . 1 1 35 35 ASP N N 15 120.959 0.031 . 1 . . 178 . . 35 ASP N . 18523 1
392 . 1 1 36 36 LYS H H 1 7.616 0.006 . 1 . . 108 . . 36 LYS H . 18523 1
393 . 1 1 36 36 LYS HA H 1 4.135 0.006 . 1 . . 597 . . 36 LYS HA . 18523 1
394 . 1 1 36 36 LYS HB2 H 1 1.770 0.012 . 1 . . 598 . . 36 LYS HB2 . 18523 1
395 . 1 1 36 36 LYS HB3 H 1 1.800 0.011 . 1 . . 599 . . 36 LYS HB3 . 18523 1
396 . 1 1 36 36 LYS HG2 H 1 1.213 0.013 . 1 . . 1429 . . 36 LYS HG2 . 18523 1
397 . 1 1 36 36 LYS HG3 H 1 1.431 0.006 . 1 . . 1432 . . 36 LYS HG3 . 18523 1
398 . 1 1 36 36 LYS HD2 H 1 1.455 0.007 . 1 . . 1427 . . 36 LYS HD2 . 18523 1
399 . 1 1 36 36 LYS HD3 H 1 1.455 0.007 . 1 . . 1428 . . 36 LYS HD3 . 18523 1
400 . 1 1 36 36 LYS HE2 H 1 2.675 0.004 . 1 . . 1433 . . 36 LYS HE2 . 18523 1
401 . 1 1 36 36 LYS HE3 H 1 2.924 0.007 . 1 . . 1434 . . 36 LYS HE3 . 18523 1
402 . 1 1 36 36 LYS C C 13 177.995 0.017 . 1 . . 377 . . 36 LYS C . 18523 1
403 . 1 1 36 36 LYS CA C 13 57.033 0.064 . 1 . . 379 . . 36 LYS CA . 18523 1
404 . 1 1 36 36 LYS CB C 13 32.008 0.051 . 1 . . 378 . . 36 LYS CB . 18523 1
405 . 1 1 36 36 LYS CG C 13 24.420 0.041 . 1 . . 1430 . . 36 LYS CG . 18523 1
406 . 1 1 36 36 LYS CD C 13 27.830 0.027 . 1 . . 1431 . . 36 LYS CD . 18523 1
407 . 1 1 36 36 LYS CE C 13 42.681 0.074 . 1 . . 1435 . . 36 LYS CE . 18523 1
408 . 1 1 36 36 LYS N N 15 116.277 0.029 . 1 . . 109 . . 36 LYS N . 18523 1
409 . 1 1 37 37 ALA H H 1 8.259 0.005 . 1 . . 197 . . 37 ALA H . 18523 1
410 . 1 1 37 37 ALA HA H 1 3.976 0.005 . 1 . . 600 . . 37 ALA HA . 18523 1
411 . 1 1 37 37 ALA HB1 H 1 1.465 0.03 . 1 . . 601 . . 37 ALA HB1 . 18523 1
412 . 1 1 37 37 ALA HB2 H 1 1.465 0.03 . 1 . . 601 . . 37 ALA HB2 . 18523 1
413 . 1 1 37 37 ALA HB3 H 1 1.465 0.03 . 1 . . 601 . . 37 ALA HB3 . 18523 1
414 . 1 1 37 37 ALA C C 13 178.806 0.0 . 1 . . 380 . . 37 ALA C . 18523 1
415 . 1 1 37 37 ALA CA C 13 55.485 0.048 . 1 . . 382 . . 37 ALA CA . 18523 1
416 . 1 1 37 37 ALA CB C 13 18.584 0.028 . 1 . . 381 . . 37 ALA CB . 18523 1
417 . 1 1 37 37 ALA N N 15 121.399 0.034 . 1 . . 198 . . 37 ALA N . 18523 1
418 . 1 1 38 38 ASP H H 1 7.989 0.013 . 1 . . 162 . . 38 ASP H . 18523 1
419 . 1 1 38 38 ASP HA H 1 4.381 0.004 . 1 . . 604 . . 38 ASP HA . 18523 1
420 . 1 1 38 38 ASP HB2 H 1 2.694 0.006 . 1 . . 602 . . 38 ASP HB2 . 18523 1
421 . 1 1 38 38 ASP HB3 H 1 2.795 0.024 . 1 . . 603 . . 38 ASP HB3 . 18523 1
422 . 1 1 38 38 ASP C C 13 178.326 0.048 . 1 . . 387 . . 38 ASP C . 18523 1
423 . 1 1 38 38 ASP CA C 13 56.836 0.043 . 1 . . 384 . . 38 ASP CA . 18523 1
424 . 1 1 38 38 ASP CB C 13 40.977 0.039 . 1 . . 383 . . 38 ASP CB . 18523 1
425 . 1 1 38 38 ASP N N 15 116.258 0.054 . 1 . . 163 . . 38 ASP N . 18523 1
426 . 1 1 39 39 LYS H H 1 7.690 0.011 . 1 . . 151 . . 39 LYS H . 18523 1
427 . 1 1 39 39 LYS HA H 1 4.120 0.005 . 1 . . 605 . . 39 LYS HA . 18523 1
428 . 1 1 39 39 LYS HB2 H 1 1.939 0.01 . 1 . . 606 . . 39 LYS HB2 . 18523 1
429 . 1 1 39 39 LYS HB3 H 1 1.946 0.007 . 1 . . 607 . . 39 LYS HB3 . 18523 1
430 . 1 1 39 39 LYS HE2 H 1 3.002 0.0 . 1 . . 1002 . . 39 LYS HE2 . 18523 1
431 . 1 1 39 39 LYS HE3 H 1 3.002 0.0 . 1 . . 1003 . . 39 LYS HE3 . 18523 1
432 . 1 1 39 39 LYS C C 13 178.609 . . 1 . . 388 . . 39 LYS C . 18523 1
433 . 1 1 39 39 LYS CA C 13 58.439 0.034 . 1 . . 386 . . 39 LYS CA . 18523 1
434 . 1 1 39 39 LYS CB C 13 32.756 0.045 . 1 . . 385 . . 39 LYS CB . 18523 1
435 . 1 1 39 39 LYS N N 15 118.504 0.039 . 1 . . 152 . . 39 LYS N . 18523 1
436 . 1 1 40 40 VAL H H 1 7.731 0.008 . 1 . . 128 . . 40 VAL H . 18523 1
437 . 1 1 40 40 VAL HA H 1 3.888 0.005 . 1 . . 608 . . 40 VAL HA . 18523 1
438 . 1 1 40 40 VAL HB H 1 2.179 0.005 . 1 . . 609 . . 40 VAL HB . 18523 1
439 . 1 1 40 40 VAL HG11 H 1 0.929 0.005 . 1 . . 1005 . . 40 VAL HG11 . 18523 1
440 . 1 1 40 40 VAL HG12 H 1 0.929 0.005 . 1 . . 1005 . . 40 VAL HG12 . 18523 1
441 . 1 1 40 40 VAL HG13 H 1 0.929 0.005 . 1 . . 1005 . . 40 VAL HG13 . 18523 1
442 . 1 1 40 40 VAL HG21 H 1 1.001 0.006 . 1 . . 1006 . . 40 VAL HG21 . 18523 1
443 . 1 1 40 40 VAL HG22 H 1 1.001 0.006 . 1 . . 1006 . . 40 VAL HG22 . 18523 1
444 . 1 1 40 40 VAL HG23 H 1 1.001 0.006 . 1 . . 1006 . . 40 VAL HG23 . 18523 1
445 . 1 1 40 40 VAL C C 13 176.685 0.008 . 1 . . 390 . . 40 VAL C . 18523 1
446 . 1 1 40 40 VAL CA C 13 64.553 0.042 . 1 . . 391 . . 40 VAL CA . 18523 1
447 . 1 1 40 40 VAL CB C 13 32.440 0.07 . 1 . . 389 . . 40 VAL CB . 18523 1
448 . 1 1 40 40 VAL CG1 C 13 22.031 0.027 . 1 . . 1004 . . 40 VAL CG1 . 18523 1
449 . 1 1 40 40 VAL CG2 C 13 22.129 0.019 . 1 . . 1007 . . 40 VAL CG2 . 18523 1
450 . 1 1 40 40 VAL N N 15 116.008 0.059 . 1 . . 129 . . 40 VAL N . 18523 1
451 . 1 1 41 41 ALA H H 1 8.045 0.007 . 1 . . 199 . . 41 ALA H . 18523 1
452 . 1 1 41 41 ALA HA H 1 4.089 0.01 . 1 . . 610 . . 41 ALA HA . 18523 1
453 . 1 1 41 41 ALA HB1 H 1 1.462 0.009 . 1 . . 611 . . 41 ALA HB1 . 18523 1
454 . 1 1 41 41 ALA HB2 H 1 1.462 0.009 . 1 . . 611 . . 41 ALA HB2 . 18523 1
455 . 1 1 41 41 ALA HB3 H 1 1.462 0.009 . 1 . . 611 . . 41 ALA HB3 . 18523 1
456 . 1 1 41 41 ALA C C 13 179.134 0.004 . 1 . . 392 . . 41 ALA C . 18523 1
457 . 1 1 41 41 ALA CA C 13 54.737 0.04 . 1 . . 321 . . 41 ALA CA . 18523 1
458 . 1 1 41 41 ALA CB C 13 18.688 0.021 . 1 . . 320 . . 41 ALA CB . 18523 1
459 . 1 1 41 41 ALA N N 15 122.332 0.032 . 1 . . 200 . . 41 ALA N . 18523 1
460 . 1 1 42 42 GLY H H 1 7.979 0.004 . 1 . . 204 . . 42 GLY H . 18523 1
461 . 1 1 42 42 GLY HA2 H 1 3.918 0.016 . 1 . . 612 . . 42 GLY HA2 . 18523 1
462 . 1 1 42 42 GLY HA3 H 1 3.941 0.01 . 1 . . 613 . . 42 GLY HA3 . 18523 1
463 . 1 1 42 42 GLY C C 13 174.982 0.011 . 1 . . 395 . . 42 GLY C . 18523 1
464 . 1 1 42 42 GLY CA C 13 46.154 0.031 . 1 . . 393 . . 42 GLY CA . 18523 1
465 . 1 1 42 42 GLY N N 15 104.796 0.061 . 1 . . 205 . . 42 GLY N . 18523 1
466 . 1 1 43 43 LYS H H 1 7.768 0.013 . 1 . . 49 . . 43 LYS H . 18523 1
467 . 1 1 43 43 LYS HA H 1 4.325 0.01 . 1 . . 615 . . 43 LYS HA . 18523 1
468 . 1 1 43 43 LYS HB2 H 1 1.912 0.008 . 1 . . 614 . . 43 LYS HB2 . 18523 1
469 . 1 1 43 43 LYS HB3 H 1 1.912 0.008 . 1 . . 638 . . 43 LYS HB3 . 18523 1
470 . 1 1 43 43 LYS HG2 H 1 1.469 0.011 . 1 . . 1010 . . 43 LYS HG2 . 18523 1
471 . 1 1 43 43 LYS HG3 H 1 1.469 0.011 . 1 . . 1011 . . 43 LYS HG3 . 18523 1
472 . 1 1 43 43 LYS HD2 H 1 1.678 0.014 . 1 . . 1009 . . 43 LYS HD2 . 18523 1
473 . 1 1 43 43 LYS HD3 H 1 1.679 0.013 . 1 . . 1008 . . 43 LYS HD3 . 18523 1
474 . 1 1 43 43 LYS HE2 H 1 2.989 0.011 . 1 . . 1012 . . 43 LYS HE2 . 18523 1
475 . 1 1 43 43 LYS HE3 H 1 2.989 0.011 . 1 . . 1013 . . 43 LYS HE3 . 18523 1
476 . 1 1 43 43 LYS C C 13 176.625 0.011 . 1 . . 396 . . 43 LYS C . 18523 1
477 . 1 1 43 43 LYS CA C 13 56.907 0.054 . 1 . . 394 . . 43 LYS CA . 18523 1
478 . 1 1 43 43 LYS CB C 13 33.510 0.029 . 1 . . 397 . . 43 LYS CB . 18523 1
479 . 1 1 43 43 LYS CG C 13 25.186 0.095 . 1 . . 1014 . . 43 LYS CG . 18523 1
480 . 1 1 43 43 LYS CD C 13 29.087 0.063 . 1 . . 1015 . . 43 LYS CD . 18523 1
481 . 1 1 43 43 LYS CE C 13 42.473 0.042 . 1 . . 1016 . . 43 LYS CE . 18523 1
482 . 1 1 43 43 LYS N N 15 118.957 0.026 . 1 . . 50 . . 43 LYS N . 18523 1
483 . 1 1 44 44 VAL H H 1 7.574 0.003 . 1 . . 185 . . 44 VAL H . 18523 1
484 . 1 1 44 44 VAL HA H 1 4.121 0.004 . 1 . . 616 . . 44 VAL HA . 18523 1
485 . 1 1 44 44 VAL HB H 1 2.143 0.003 . 1 . . 617 . . 44 VAL HB . 18523 1
486 . 1 1 44 44 VAL HG11 H 1 0.904 0.009 . 1 . . 1018 . . 44 VAL HG11 . 18523 1
487 . 1 1 44 44 VAL HG12 H 1 0.904 0.009 . 1 . . 1018 . . 44 VAL HG12 . 18523 1
488 . 1 1 44 44 VAL HG13 H 1 0.904 0.009 . 1 . . 1018 . . 44 VAL HG13 . 18523 1
489 . 1 1 44 44 VAL HG21 H 1 0.931 0.006 . 1 . . 1020 . . 44 VAL HG21 . 18523 1
490 . 1 1 44 44 VAL HG22 H 1 0.931 0.006 . 1 . . 1020 . . 44 VAL HG22 . 18523 1
491 . 1 1 44 44 VAL HG23 H 1 0.931 0.006 . 1 . . 1020 . . 44 VAL HG23 . 18523 1
492 . 1 1 44 44 VAL C C 13 174.938 0.011 . 1 . . 399 . . 44 VAL C . 18523 1
493 . 1 1 44 44 VAL CA C 13 62.472 0.026 . 1 . . 400 . . 44 VAL CA . 18523 1
494 . 1 1 44 44 VAL CB C 13 32.732 0.055 . 1 . . 398 . . 44 VAL CB . 18523 1
495 . 1 1 44 44 VAL CG1 C 13 21.785 0.024 . 1 . . 1017 . . 44 VAL CG1 . 18523 1
496 . 1 1 44 44 VAL CG2 C 13 20.980 0.026 . 1 . . 1019 . . 44 VAL CG2 . 18523 1
497 . 1 1 44 44 VAL N N 15 116.063 0.043 . 1 . . 186 . . 44 VAL N . 18523 1
498 . 1 1 45 45 GLN H H 1 8.058 0.007 . 1 . . 220 . . 45 GLN H . 18523 1
499 . 1 1 45 45 GLN HA H 1 4.629 0.01 . 1 . . 685 . . 45 GLN HA . 18523 1
500 . 1 1 45 45 GLN HB2 H 1 1.953 0.009 . 1 . . 683 . . 45 GLN HB2 . 18523 1
501 . 1 1 45 45 GLN HB3 H 1 2.085 0.014 . 1 . . 684 . . 45 GLN HB3 . 18523 1
502 . 1 1 45 45 GLN HG2 H 1 2.318 0.003 . 1 . . 1022 . . 45 GLN HG2 . 18523 1
503 . 1 1 45 45 GLN HG3 H 1 2.318 0.003 . 1 . . 1021 . . 45 GLN HG3 . 18523 1
504 . 1 1 45 45 GLN C C 13 173.874 . . 1 . . 402 . . 45 GLN C . 18523 1
505 . 1 1 45 45 GLN CA C 13 53.874 0.037 . 1 . . 618 . . 45 GLN CA . 18523 1
506 . 1 1 45 45 GLN CB C 13 29.451 0.04 . 1 . . 401 . . 45 GLN CB . 18523 1
507 . 1 1 45 45 GLN CG C 13 34.016 0.019 . 1 . . 1023 . . 45 GLN CG . 18523 1
508 . 1 1 45 45 GLN N N 15 121.794 0.034 . 1 . . 221 . . 45 GLN N . 18523 1
509 . 1 1 46 46 PRO HA H 1 4.414 0.006 . 1 . . 791 . . 46 PRO HA . 18523 1
510 . 1 1 46 46 PRO HB2 H 1 1.958 0.01 . 1 . . 793 . . 46 PRO HB2 . 18523 1
511 . 1 1 46 46 PRO HB3 H 1 2.258 0.006 . 1 . . 794 . . 46 PRO HB3 . 18523 1
512 . 1 1 46 46 PRO HG2 H 1 1.938 0.031 . 1 . . 1026 . . 46 PRO HG2 . 18523 1
513 . 1 1 46 46 PRO HG3 H 1 2.015 0.019 . 1 . . 1027 . . 46 PRO HG3 . 18523 1
514 . 1 1 46 46 PRO HD2 H 1 3.699 0.007 . 1 . . 1025 . . 46 PRO HD2 . 18523 1
515 . 1 1 46 46 PRO HD3 H 1 3.699 0.007 . 1 . . 1024 . . 46 PRO HD3 . 18523 1
516 . 1 1 46 46 PRO C C 13 177.326 0.007 . 1 . . 795 . . 46 PRO C . 18523 1
517 . 1 1 46 46 PRO CA C 13 63.963 0.023 . 1 . . 796 . . 46 PRO CA . 18523 1
518 . 1 1 46 46 PRO CB C 13 32.314 0.037 . 1 . . 797 . . 46 PRO CB . 18523 1
519 . 1 1 46 46 PRO CG C 13 27.601 0.015 . 1 . . 1029 . . 46 PRO CG . 18523 1
520 . 1 1 46 46 PRO CD C 13 50.800 0.023 . 1 . . 1028 . . 46 PRO CD . 18523 1
521 . 1 1 47 47 GLU H H 1 8.407 0.002 . 1 . . 206 . . 47 GLU H . 18523 1
522 . 1 1 47 47 GLU HA H 1 4.191 0.005 . 1 . . 789 . . 47 GLU HA . 18523 1
523 . 1 1 47 47 GLU HB2 H 1 1.949 0.006 . 1 . . 792 . . 47 GLU HB2 . 18523 1
524 . 1 1 47 47 GLU HB3 H 1 2.032 0.004 . 1 . . 790 . . 47 GLU HB3 . 18523 1
525 . 1 1 47 47 GLU HG2 H 1 2.260 0.007 . 1 . . 1030 . . 47 GLU HG2 . 18523 1
526 . 1 1 47 47 GLU HG3 H 1 2.260 0.007 . 1 . . 1031 . . 47 GLU HG3 . 18523 1
527 . 1 1 47 47 GLU C C 13 176.467 0.013 . 1 . . 473 . . 47 GLU C . 18523 1
528 . 1 1 47 47 GLU CA C 13 57.556 0.031 . 1 . . 788 . . 47 GLU CA . 18523 1
529 . 1 1 47 47 GLU CB C 13 30.326 0.051 . 1 . . 472 . . 47 GLU CB . 18523 1
530 . 1 1 47 47 GLU CG C 13 36.296 0.002 . 1 . . 1032 . . 47 GLU CG . 18523 1
531 . 1 1 47 47 GLU N N 15 119.307 0.035 . 1 . . 207 . . 47 GLU N . 18523 1
532 . 1 1 48 48 ASP H H 1 8.074 0.006 . 1 . . 65 . . 48 ASP H . 18523 1
533 . 1 1 48 48 ASP HA H 1 4.560 0.013 . 1 . . 786 . . 48 ASP HA . 18523 1
534 . 1 1 48 48 ASP HB2 H 1 2.596 0.003 . 1 . . 785 . . 48 ASP HB2 . 18523 1
535 . 1 1 48 48 ASP HB3 H 1 2.703 0.005 . 1 . . 787 . . 48 ASP HB3 . 18523 1
536 . 1 1 48 48 ASP C C 13 175.850 0.007 . 1 . . 474 . . 48 ASP C . 18523 1
537 . 1 1 48 48 ASP CA C 13 54.766 0.05 . 1 . . 784 . . 48 ASP CA . 18523 1
538 . 1 1 48 48 ASP CB C 13 41.302 0.029 . 1 . . 475 . . 48 ASP CB . 18523 1
539 . 1 1 48 48 ASP N N 15 118.934 0.021 . 1 . . 66 . . 48 ASP N . 18523 1
540 . 1 1 49 49 ASN H H 1 8.110 0.003 . 1 . . 41 . . 49 ASN H . 18523 1
541 . 1 1 49 49 ASN HA H 1 4.647 0.003 . 1 . . 781 . . 49 ASN HA . 18523 1
542 . 1 1 49 49 ASN HB2 H 1 2.740 0.004 . 1 . . 783 . . 49 ASN HB2 . 18523 1
543 . 1 1 49 49 ASN HB3 H 1 2.827 0.008 . 1 . . 782 . . 49 ASN HB3 . 18523 1
544 . 1 1 49 49 ASN HD21 H 1 6.772 0.001 . 1 . . 27 . . 49 ASN HD21 . 18523 1
545 . 1 1 49 49 ASN HD22 H 1 7.414 0.001 . 1 . . 93 . . 49 ASN HD22 . 18523 1
546 . 1 1 49 49 ASN C C 13 174.962 0.009 . 1 . . 476 . . 49 ASN C . 18523 1
547 . 1 1 49 49 ASN CA C 13 53.932 0.035 . 1 . . 780 . . 49 ASN CA . 18523 1
548 . 1 1 49 49 ASN CB C 13 39.241 0.029 . 1 . . 477 . . 49 ASN CB . 18523 1
549 . 1 1 49 49 ASN N N 15 117.585 0.026 . 1 . . 42 . . 49 ASN N . 18523 1
550 . 1 1 49 49 ASN ND2 N 15 112.250 0.011 . 1 . . 28 . . 49 ASN ND2 . 18523 1
551 . 1 1 50 50 LYS H H 1 8.029 0.008 . 1 . . 19 . . 50 LYS H . 18523 1
552 . 1 1 50 50 LYS HA H 1 4.275 0.023 . 1 . . 778 . . 50 LYS HA . 18523 1
553 . 1 1 50 50 LYS HB2 H 1 1.803 0.018 . 1 . . 777 . . 50 LYS HB2 . 18523 1
554 . 1 1 50 50 LYS HB3 H 1 1.841 0.021 . 1 . . 779 . . 50 LYS HB3 . 18523 1
555 . 1 1 50 50 LYS HG2 H 1 1.409 0.023 . 1 . . 1033 . . 50 LYS HG2 . 18523 1
556 . 1 1 50 50 LYS HG3 H 1 1.456 0.015 . 1 . . 1034 . . 50 LYS HG3 . 18523 1
557 . 1 1 50 50 LYS HD2 H 1 1.668 0.007 . 1 . . 1036 . . 50 LYS HD2 . 18523 1
558 . 1 1 50 50 LYS HD3 H 1 1.668 0.007 . 1 . . 1035 . . 50 LYS HD3 . 18523 1
559 . 1 1 50 50 LYS HE2 H 1 2.986 0.004 . 1 . . 1037 . . 50 LYS HE2 . 18523 1
560 . 1 1 50 50 LYS HE3 H 1 2.986 0.004 . 1 . . 1038 . . 50 LYS HE3 . 18523 1
561 . 1 1 50 50 LYS C C 13 176.971 0.015 . 1 . . 478 . . 50 LYS C . 18523 1
562 . 1 1 50 50 LYS CA C 13 56.989 0.08 . 1 . . 418 . . 50 LYS CA . 18523 1
563 . 1 1 50 50 LYS CB C 13 33.145 0.023 . 1 . . 479 . . 50 LYS CB . 18523 1
564 . 1 1 50 50 LYS CG C 13 24.953 0.019 . 1 . . 1039 . . 50 LYS CG . 18523 1
565 . 1 1 50 50 LYS CD C 13 29.347 0.016 . 1 . . 1040 . . 50 LYS CD . 18523 1
566 . 1 1 50 50 LYS CE C 13 42.518 0.018 . 1 . . 1041 . . 50 LYS CE . 18523 1
567 . 1 1 50 50 LYS N N 15 120.043 0.027 . 1 . . 20 . . 50 LYS N . 18523 1
568 . 1 1 51 51 GLY H H 1 8.225 0.005 . 1 . . 29 . . 51 GLY H . 18523 1
569 . 1 1 51 51 GLY HA2 H 1 4.014 0.003 . 1 . . 775 . . 51 GLY HA2 . 18523 1
570 . 1 1 51 51 GLY HA3 H 1 4.014 0.003 . 1 . . 776 . . 51 GLY HA3 . 18523 1
571 . 1 1 51 51 GLY C C 13 175.324 0.008 . 1 . . 417 . . 51 GLY C . 18523 1
572 . 1 1 51 51 GLY CA C 13 46.049 0.044 . 1 . . 416 . . 51 GLY CA . 18523 1
573 . 1 1 51 51 GLY N N 15 109.126 0.032 . 1 . . 30 . . 51 GLY N . 18523 1
574 . 1 1 52 52 VAL H H 1 7.876 0.009 . 1 . . 15 . . 52 VAL H . 18523 1
575 . 1 1 52 52 VAL HA H 1 3.836 0.005 . 1 . . 773 . . 52 VAL HA . 18523 1
576 . 1 1 52 52 VAL HB H 1 1.899 0.004 . 1 . . 774 . . 52 VAL HB . 18523 1
577 . 1 1 52 52 VAL HG11 H 1 0.627 0.015 . 1 . . 1043 . . 52 VAL HG11 . 18523 1
578 . 1 1 52 52 VAL HG12 H 1 0.627 0.015 . 1 . . 1043 . . 52 VAL HG12 . 18523 1
579 . 1 1 52 52 VAL HG13 H 1 0.627 0.015 . 1 . . 1043 . . 52 VAL HG13 . 18523 1
580 . 1 1 52 52 VAL HG21 H 1 0.790 0.017 . 1 . . 1042 . . 52 VAL HG21 . 18523 1
581 . 1 1 52 52 VAL HG22 H 1 0.790 0.017 . 1 . . 1042 . . 52 VAL HG22 . 18523 1
582 . 1 1 52 52 VAL HG23 H 1 0.790 0.017 . 1 . . 1042 . . 52 VAL HG23 . 18523 1
583 . 1 1 52 52 VAL C C 13 176.420 0.0 . 1 . . 412 . . 52 VAL C . 18523 1
584 . 1 1 52 52 VAL CA C 13 64.595 0.041 . 1 . . 420 . . 52 VAL CA . 18523 1
585 . 1 1 52 52 VAL CB C 13 32.282 0.05 . 1 . . 413 . . 52 VAL CB . 18523 1
586 . 1 1 52 52 VAL CG1 C 13 21.122 0.036 . 1 . . 1045 . . 52 VAL CG1 . 18523 1
587 . 1 1 52 52 VAL CG2 C 13 21.374 0.041 . 1 . . 1044 . . 52 VAL CG2 . 18523 1
588 . 1 1 52 52 VAL N N 15 119.388 0.043 . 1 . . 16 . . 52 VAL N . 18523 1
589 . 1 1 53 53 PHE H H 1 7.971 0.003 . 1 . . 187 . . 53 PHE H . 18523 1
590 . 1 1 53 53 PHE HA H 1 4.555 0.022 . 1 . . 621 . . 53 PHE HA . 18523 1
591 . 1 1 53 53 PHE HB2 H 1 3.051 0.005 . 1 . . 619 . . 53 PHE HB2 . 18523 1
592 . 1 1 53 53 PHE HB3 H 1 3.254 0.007 . 1 . . 620 . . 53 PHE HB3 . 18523 1
593 . 1 1 53 53 PHE HD1 H 1 7.251 0.007 . 3 . . 1123 . . 53 PHE HD1 . 18523 1
594 . 1 1 53 53 PHE HD2 H 1 7.251 0.007 . 3 . . 1123 . . 53 PHE HD2 . 18523 1
595 . 1 1 53 53 PHE HE1 H 1 7.235 0.005 . 3 . . 1141 . . 53 PHE HE1 . 18523 1
596 . 1 1 53 53 PHE HE2 H 1 7.235 0.005 . 3 . . 1141 . . 53 PHE HE2 . 18523 1
597 . 1 1 53 53 PHE HZ H 1 7.148 . . 1 . . 1143 . . 53 PHE HZ . 18523 1
598 . 1 1 53 53 PHE C C 13 176.570 0.008 . 1 . . 414 . . 53 PHE C . 18523 1
599 . 1 1 53 53 PHE CA C 13 59.014 0.038 . 1 . . 798 . . 53 PHE CA . 18523 1
600 . 1 1 53 53 PHE CB C 13 38.723 0.038 . 1 . . 415 . . 53 PHE CB . 18523 1
601 . 1 1 53 53 PHE CD1 C 13 132.392 0.101 . 3 . . 1131 . . 53 PHE CD1 . 18523 1
602 . 1 1 53 53 PHE CD2 C 13 132.392 0.101 . 3 . . 1131 . . 53 PHE CD2 . 18523 1
603 . 1 1 53 53 PHE CE1 C 13 131.560 . . 3 . . 1142 . . 53 PHE CE1 . 18523 1
604 . 1 1 53 53 PHE CE2 C 13 131.560 . . 3 . . 1142 . . 53 PHE CE2 . 18523 1
605 . 1 1 53 53 PHE CZ C 13 129.923 . . 1 . . 1144 . . 53 PHE CZ . 18523 1
606 . 1 1 53 53 PHE N N 15 118.046 0.024 . 1 . . 188 . . 53 PHE N . 18523 1
607 . 1 1 54 54 GLN H H 1 7.915 0.006 . 1 . . 31 . . 54 GLN H . 18523 1
608 . 1 1 54 54 GLN HA H 1 4.136 0.007 . 1 . . 622 . . 54 GLN HA . 18523 1
609 . 1 1 54 54 GLN HB2 H 1 2.069 0.01 . 1 . . 624 . . 54 GLN HB2 . 18523 1
610 . 1 1 54 54 GLN HB3 H 1 2.083 0.012 . 1 . . 623 . . 54 GLN HB3 . 18523 1
611 . 1 1 54 54 GLN HG2 H 1 2.389 0.007 . 1 . . 1046 . . 54 GLN HG2 . 18523 1
612 . 1 1 54 54 GLN HG3 H 1 2.390 0.004 . 1 . . 1047 . . 54 GLN HG3 . 18523 1
613 . 1 1 54 54 GLN HE21 H 1 6.720 0.001 . 1 . . 153 . . 54 GLN HE21 . 18523 1
614 . 1 1 54 54 GLN HE22 H 1 7.494 0.007 . 1 . . 17 . . 54 GLN HE22 . 18523 1
615 . 1 1 54 54 GLN C C 13 177.313 0.001 . 1 . . 335 . . 54 GLN C . 18523 1
616 . 1 1 54 54 GLN CA C 13 57.877 0.046 . 1 . . 333 . . 54 GLN CA . 18523 1
617 . 1 1 54 54 GLN CB C 13 29.053 0.041 . 1 . . 334 . . 54 GLN CB . 18523 1
618 . 1 1 54 54 GLN CG C 13 33.959 0.111 . 1 . . 1048 . . 54 GLN CG . 18523 1
619 . 1 1 54 54 GLN N N 15 119.244 0.027 . 1 . . 32 . . 54 GLN N . 18523 1
620 . 1 1 54 54 GLN NE2 N 15 112.331 0.008 . 1 . . 18 . . 54 GLN NE2 . 18523 1
621 . 1 1 55 55 GLY H H 1 8.067 0.004 . 1 . . 13 . . 55 GLY H . 18523 1
622 . 1 1 55 55 GLY HA2 H 1 3.941 0.008 . 1 . . 626 . . 55 GLY HA2 . 18523 1
623 . 1 1 55 55 GLY HA3 H 1 3.946 0.006 . 1 . . 625 . . 55 GLY HA3 . 18523 1
624 . 1 1 55 55 GLY C C 13 175.419 0.009 . 1 . . 332 . . 55 GLY C . 18523 1
625 . 1 1 55 55 GLY CA C 13 46.411 0.019 . 1 . . 331 . . 55 GLY CA . 18523 1
626 . 1 1 55 55 GLY N N 15 107.662 0.033 . 1 . . 14 . . 55 GLY N . 18523 1
627 . 1 1 56 56 VAL H H 1 7.712 0.005 . 1 . . 242 . . 56 VAL H . 18523 1
628 . 1 1 56 56 VAL HA H 1 3.936 0.009 . 1 . . 627 . . 56 VAL HA . 18523 1
629 . 1 1 56 56 VAL HB H 1 2.115 0.004 . 1 . . 628 . . 56 VAL HB . 18523 1
630 . 1 1 56 56 VAL HG11 H 1 0.892 0.019 . 1 . . 1049 . . 56 VAL HG11 . 18523 1
631 . 1 1 56 56 VAL HG12 H 1 0.892 0.019 . 1 . . 1049 . . 56 VAL HG12 . 18523 1
632 . 1 1 56 56 VAL HG13 H 1 0.892 0.019 . 1 . . 1049 . . 56 VAL HG13 . 18523 1
633 . 1 1 56 56 VAL HG21 H 1 0.961 0.003 . 1 . . 1050 . . 56 VAL HG21 . 18523 1
634 . 1 1 56 56 VAL HG22 H 1 0.961 0.003 . 1 . . 1050 . . 56 VAL HG22 . 18523 1
635 . 1 1 56 56 VAL HG23 H 1 0.961 0.003 . 1 . . 1050 . . 56 VAL HG23 . 18523 1
636 . 1 1 56 56 VAL C C 13 176.576 0.0 . 1 . . 330 . . 56 VAL C . 18523 1
637 . 1 1 56 56 VAL CA C 13 64.435 0.079 . 1 . . 328 . . 56 VAL CA . 18523 1
638 . 1 1 56 56 VAL CB C 13 32.220 0.046 . 1 . . 327 . . 56 VAL CB . 18523 1
639 . 1 1 56 56 VAL CG1 C 13 21.549 0.012 . 1 . . 1052 . . 56 VAL CG1 . 18523 1
640 . 1 1 56 56 VAL CG2 C 13 21.709 0.071 . 1 . . 1051 . . 56 VAL CG2 . 18523 1
641 . 1 1 56 56 VAL N N 15 119.018 0.074 . 1 . . 243 . . 56 VAL N . 18523 1
642 . 1 1 57 57 HIS H H 1 8.150 0.005 . 1 . . 69 . . 57 HIS H . 18523 1
643 . 1 1 57 57 HIS HA H 1 4.509 0.019 . 1 . . 629 . . 57 HIS HA . 18523 1
644 . 1 1 57 57 HIS HB2 H 1 3.118 0.004 . 1 . . 630 . . 57 HIS HB2 . 18523 1
645 . 1 1 57 57 HIS HB3 H 1 3.318 0.006 . 1 . . 631 . . 57 HIS HB3 . 18523 1
646 . 1 1 57 57 HIS C C 13 175.141 0.019 . 1 . . 324 . . 57 HIS C . 18523 1
647 . 1 1 57 57 HIS CA C 13 57.112 0.038 . 1 . . 329 . . 57 HIS CA . 18523 1
648 . 1 1 57 57 HIS CB C 13 29.084 0.041 . 1 . . 325 . . 57 HIS CB . 18523 1
649 . 1 1 57 57 HIS N N 15 118.867 0.029 . 1 . . 70 . . 57 HIS N . 18523 1
650 . 1 1 58 58 ASP H H 1 8.267 0.01 . 1 . . 156 . . 58 ASP H . 18523 1
651 . 1 1 58 58 ASP HA H 1 4.534 0.003 . 1 . . 634 . . 58 ASP HA . 18523 1
652 . 1 1 58 58 ASP HB2 H 1 2.696 0.004 . 1 . . 633 . . 58 ASP HB2 . 18523 1
653 . 1 1 58 58 ASP HB3 H 1 2.696 0.004 . 1 . . 632 . . 58 ASP HB3 . 18523 1
654 . 1 1 58 58 ASP C C 13 177.204 0.001 . 1 . . 326 . . 58 ASP C . 18523 1
655 . 1 1 58 58 ASP CA C 13 55.583 0.036 . 1 . . 323 . . 58 ASP CA . 18523 1
656 . 1 1 58 58 ASP CB C 13 41.135 0.042 . 1 . . 322 . . 58 ASP CB . 18523 1
657 . 1 1 58 58 ASP N N 15 120.312 0.029 . 1 . . 157 . . 58 ASP N . 18523 1
658 . 1 1 59 59 SER H H 1 8.067 0.011 . 1 . . 235 . . 59 SER H . 18523 1
659 . 1 1 59 59 SER HA H 1 4.320 0.008 . 1 . . 635 . . 59 SER HA . 18523 1
660 . 1 1 59 59 SER HB2 H 1 3.871 0.007 . 1 . . 636 . . 59 SER HB2 . 18523 1
661 . 1 1 59 59 SER HB3 H 1 3.947 0.004 . 1 . . 637 . . 59 SER HB3 . 18523 1
662 . 1 1 59 59 SER C C 13 175.123 0.002 . 1 . . 307 . . 59 SER C . 18523 1
663 . 1 1 59 59 SER CA C 13 60.090 0.026 . 1 . . 308 . . 59 SER CA . 18523 1
664 . 1 1 59 59 SER CB C 13 63.938 0.072 . 1 . . 309 . . 59 SER CB . 18523 1
665 . 1 1 59 59 SER N N 15 116.227 0.033 . 1 . . 236 . . 59 SER N . 18523 1
666 . 1 1 60 60 ALA H H 1 8.135 0.014 . 1 . . 1 . . 60 ALA H . 18523 1
667 . 1 1 60 60 ALA HA H 1 4.218 0.009 . 1 . . 639 . . 60 ALA HA . 18523 1
668 . 1 1 60 60 ALA HB1 H 1 1.411 0.007 . 1 . . 640 . . 60 ALA HB1 . 18523 1
669 . 1 1 60 60 ALA HB2 H 1 1.411 0.007 . 1 . . 640 . . 60 ALA HB2 . 18523 1
670 . 1 1 60 60 ALA HB3 H 1 1.411 0.007 . 1 . . 640 . . 60 ALA HB3 . 18523 1
671 . 1 1 60 60 ALA C C 13 178.230 0.015 . 1 . . 276 . . 60 ALA C . 18523 1
672 . 1 1 60 60 ALA CA C 13 53.782 0.029 . 1 . . 310 . . 60 ALA CA . 18523 1
673 . 1 1 60 60 ALA CB C 13 19.148 0.038 . 1 . . 275 . . 60 ALA CB . 18523 1
674 . 1 1 60 60 ALA N N 15 124.907 0.032 . 1 . . 2 . . 60 ALA N . 18523 1
675 . 1 1 61 61 GLU H H 1 8.019 0.011 . 1 . . 51 . . 61 GLU H . 18523 1
676 . 1 1 61 61 GLU HA H 1 4.176 0.008 . 1 . . 641 . . 61 GLU HA . 18523 1
677 . 1 1 61 61 GLU HB2 H 1 1.950 0.013 . 1 . . 643 . . 61 GLU HB2 . 18523 1
678 . 1 1 61 61 GLU HB3 H 1 2.039 0.02 . 1 . . 642 . . 61 GLU HB3 . 18523 1
679 . 1 1 61 61 GLU HG2 H 1 2.215 0.008 . 1 . . 1054 . . 61 GLU HG2 . 18523 1
680 . 1 1 61 61 GLU HG3 H 1 2.257 0.002 . 1 . . 1053 . . 61 GLU HG3 . 18523 1
681 . 1 1 61 61 GLU C C 13 177.070 0.006 . 1 . . 278 . . 61 GLU C . 18523 1
682 . 1 1 61 61 GLU CA C 13 57.388 0.035 . 1 . . 311 . . 61 GLU CA . 18523 1
683 . 1 1 61 61 GLU CB C 13 30.066 0.085 . 1 . . 277 . . 61 GLU CB . 18523 1
684 . 1 1 61 61 GLU CG C 13 36.277 0.002 . 1 . . 1055 . . 61 GLU CG . 18523 1
685 . 1 1 61 61 GLU N N 15 118.188 0.061 . 1 . . 52 . . 61 GLU N . 18523 1
686 . 1 1 62 62 LYS H H 1 7.891 0.01 . 1 . . 79 . . 62 LYS H . 18523 1
687 . 1 1 62 62 LYS HA H 1 4.272 0.005 . 1 . . 644 . . 62 LYS HA . 18523 1
688 . 1 1 62 62 LYS HB2 H 1 1.839 0.011 . 1 . . 645 . . 62 LYS HB2 . 18523 1
689 . 1 1 62 62 LYS HB3 H 1 1.847 0.008 . 1 . . 646 . . 62 LYS HB3 . 18523 1
690 . 1 1 62 62 LYS HG2 H 1 1.409 0.004 . 1 . . 1058 . . 62 LYS HG2 . 18523 1
691 . 1 1 62 62 LYS HG3 H 1 1.452 0.022 . 1 . . 1059 . . 62 LYS HG3 . 18523 1
692 . 1 1 62 62 LYS HD2 H 1 1.664 0.003 . 1 . . 1056 . . 62 LYS HD2 . 18523 1
693 . 1 1 62 62 LYS HD3 H 1 1.664 0.003 . 1 . . 1057 . . 62 LYS HD3 . 18523 1
694 . 1 1 62 62 LYS HE2 H 1 2.984 0.0 . 1 . . 1060 . . 62 LYS HE2 . 18523 1
695 . 1 1 62 62 LYS HE3 H 1 2.984 0.0 . 1 . . 1061 . . 62 LYS HE3 . 18523 1
696 . 1 1 62 62 LYS C C 13 177.528 0.001 . 1 . . 279 . . 62 LYS C . 18523 1
697 . 1 1 62 62 LYS CA C 13 57.056 0.071 . 1 . . 312 . . 62 LYS CA . 18523 1
698 . 1 1 62 62 LYS CB C 13 33.032 0.025 . 1 . . 280 . . 62 LYS CB . 18523 1
699 . 1 1 62 62 LYS N N 15 120.594 0.053 . 1 . . 80 . . 62 LYS N . 18523 1
700 . 1 1 63 63 GLY H H 1 8.220 0.004 . 1 . . 171 . . 63 GLY H . 18523 1
701 . 1 1 63 63 GLY HA2 H 1 3.898 0.018 . 1 . . 647 . . 63 GLY HA2 . 18523 1
702 . 1 1 63 63 GLY HA3 H 1 3.937 0.009 . 1 . . 648 . . 63 GLY HA3 . 18523 1
703 . 1 1 63 63 GLY C C 13 174.472 0.001 . 1 . . 282 . . 63 GLY C . 18523 1
704 . 1 1 63 63 GLY CA C 13 45.970 0.02 . 1 . . 281 . . 63 GLY CA . 18523 1
705 . 1 1 63 63 GLY N N 15 108.737 0.043 . 1 . . 172 . . 63 GLY N . 18523 1
706 . 1 1 64 64 LYS H H 1 7.952 0.006 . 1 . . 102 . . 64 LYS H . 18523 1
707 . 1 1 64 64 LYS HA H 1 4.278 0.006 . 1 . . 649 . . 64 LYS HA . 18523 1
708 . 1 1 64 64 LYS HB2 H 1 1.760 0.011 . 1 . . 650 . . 64 LYS HB2 . 18523 1
709 . 1 1 64 64 LYS HB3 H 1 1.851 0.008 . 1 . . 651 . . 64 LYS HB3 . 18523 1
710 . 1 1 64 64 LYS HG2 H 1 1.405 . . 1 . . 1066 . . 64 LYS HG2 . 18523 1
711 . 1 1 64 64 LYS HG3 H 1 1.452 . . 1 . . 1067 . . 64 LYS HG3 . 18523 1
712 . 1 1 64 64 LYS HD2 H 1 1.663 . . 1 . . 1065 . . 64 LYS HD2 . 18523 1
713 . 1 1 64 64 LYS HD3 H 1 1.663 . . 1 . . 1064 . . 64 LYS HD3 . 18523 1
714 . 1 1 64 64 LYS HE2 H 1 2.984 . . 1 . . 1062 . . 64 LYS HE2 . 18523 1
715 . 1 1 64 64 LYS HE3 H 1 2.984 . . 1 . . 1063 . . 64 LYS HE3 . 18523 1
716 . 1 1 64 64 LYS C C 13 176.669 0.011 . 1 . . 283 . . 64 LYS C . 18523 1
717 . 1 1 64 64 LYS CA C 13 56.999 0.038 . 1 . . 314 . . 64 LYS CA . 18523 1
718 . 1 1 64 64 LYS CB C 13 33.137 0.023 . 1 . . 284 . . 64 LYS CB . 18523 1
719 . 1 1 64 64 LYS N N 15 120.373 0.033 . 1 . . 103 . . 64 LYS N . 18523 1
720 . 1 1 65 65 ASP H H 1 8.226 0.004 . 1 . . 212 . . 65 ASP H . 18523 1
721 . 1 1 65 65 ASP HA H 1 4.554 0.011 . 1 . . 654 . . 65 ASP HA . 18523 1
722 . 1 1 65 65 ASP HB2 H 1 2.615 0.014 . 1 . . 652 . . 65 ASP HB2 . 18523 1
723 . 1 1 65 65 ASP HB3 H 1 2.677 0.011 . 1 . . 653 . . 65 ASP HB3 . 18523 1
724 . 1 1 65 65 ASP C C 13 176.291 0.009 . 1 . . 286 . . 65 ASP C . 18523 1
725 . 1 1 65 65 ASP CA C 13 54.984 0.043 . 1 . . 313 . . 65 ASP CA . 18523 1
726 . 1 1 65 65 ASP CB C 13 41.254 0.022 . 1 . . 285 . . 65 ASP CB . 18523 1
727 . 1 1 65 65 ASP N N 15 120.512 0.032 . 1 . . 213 . . 65 ASP N . 18523 1
728 . 1 1 66 66 ASN H H 1 8.149 0.005 . 1 . . 247 . . 66 ASN H . 18523 1
729 . 1 1 66 66 ASN HA H 1 4.661 0.006 . 1 . . 655 . . 66 ASN HA . 18523 1
730 . 1 1 66 66 ASN HB2 H 1 2.751 0.019 . 1 . . 656 . . 66 ASN HB2 . 18523 1
731 . 1 1 66 66 ASN HB3 H 1 2.813 0.015 . 1 . . 657 . . 66 ASN HB3 . 18523 1
732 . 1 1 66 66 ASN HD21 H 1 6.794 0.009 . 1 . . 141 . . 66 ASN HD21 . 18523 1
733 . 1 1 66 66 ASN HD22 H 1 7.453 0.023 . 1 . . 137 . . 66 ASN HD22 . 18523 1
734 . 1 1 66 66 ASN C C 13 175.327 0.025 . 1 . . 288 . . 66 ASN C . 18523 1
735 . 1 1 66 66 ASN CA C 13 53.669 0.043 . 1 . . 315 . . 66 ASN CA . 18523 1
736 . 1 1 66 66 ASN CB C 13 39.256 0.054 . 1 . . 287 . . 66 ASN CB . 18523 1
737 . 1 1 66 66 ASN N N 15 118.763 0.039 . 1 . . 248 . . 66 ASN N . 18523 1
738 . 1 1 66 66 ASN ND2 N 15 112.351 0.01 . 1 . . 138 . . 66 ASN ND2 . 18523 1
739 . 1 1 67 67 ALA H H 1 8.138 0.007 . 1 . . 183 . . 67 ALA H . 18523 1
740 . 1 1 67 67 ALA HA H 1 4.270 0.005 . 1 . . 658 . . 67 ALA HA . 18523 1
741 . 1 1 67 67 ALA HB1 H 1 1.393 0.005 . 1 . . 659 . . 67 ALA HB1 . 18523 1
742 . 1 1 67 67 ALA HB2 H 1 1.393 0.005 . 1 . . 659 . . 67 ALA HB2 . 18523 1
743 . 1 1 67 67 ALA HB3 H 1 1.393 0.005 . 1 . . 659 . . 67 ALA HB3 . 18523 1
744 . 1 1 67 67 ALA C C 13 177.940 0.011 . 1 . . 289 . . 67 ALA C . 18523 1
745 . 1 1 67 67 ALA CA C 13 53.360 0.161 . 1 . . 316 . . 67 ALA CA . 18523 1
746 . 1 1 67 67 ALA CB C 13 19.376 0.014 . 1 . . 290 . . 67 ALA CB . 18523 1
747 . 1 1 67 67 ALA N N 15 123.984 0.027 . 1 . . 184 . . 67 ALA N . 18523 1
748 . 1 1 68 68 GLU H H 1 8.210 0.002 . 1 . . 225 . . 68 GLU H . 18523 1
749 . 1 1 68 68 GLU HA H 1 4.252 0.007 . 1 . . 660 . . 68 GLU HA . 18523 1
750 . 1 1 68 68 GLU HB2 H 1 1.955 0.007 . 1 . . 662 . . 68 GLU HB2 . 18523 1
751 . 1 1 68 68 GLU HB3 H 1 2.068 0.007 . 1 . . 661 . . 68 GLU HB3 . 18523 1
752 . 1 1 68 68 GLU HG2 H 1 2.250 0.016 . 1 . . 1068 . . 68 GLU HG2 . 18523 1
753 . 1 1 68 68 GLU HG3 H 1 2.244 0.005 . 1 . . 1069 . . 68 GLU HG3 . 18523 1
754 . 1 1 68 68 GLU C C 13 177.260 0.005 . 1 . . 291 . . 68 GLU C . 18523 1
755 . 1 1 68 68 GLU CA C 13 57.188 0.082 . 1 . . 317 . . 68 GLU CA . 18523 1
756 . 1 1 68 68 GLU CB C 13 30.159 0.036 . 1 . . 292 . . 68 GLU CB . 18523 1
757 . 1 1 68 68 GLU CG C 13 36.297 0.009 . 1 . . 1070 . . 68 GLU CG . 18523 1
758 . 1 1 68 68 GLU N N 15 119.013 0.043 . 1 . . 226 . . 68 GLU N . 18523 1
759 . 1 1 69 69 GLY H H 1 8.218 0.006 . 1 . . 94 . . 69 GLY H . 18523 1
760 . 1 1 69 69 GLY HA2 H 1 3.954 0.016 . 1 . . 664 . . 69 GLY HA2 . 18523 1
761 . 1 1 69 69 GLY HA3 H 1 3.973 0.015 . 1 . . 663 . . 69 GLY HA3 . 18523 1
762 . 1 1 69 69 GLY C C 13 174.375 0.009 . 1 . . 294 . . 69 GLY C . 18523 1
763 . 1 1 69 69 GLY CA C 13 45.797 0.021 . 1 . . 293 . . 69 GLY CA . 18523 1
764 . 1 1 69 69 GLY N N 15 109.458 0.037 . 1 . . 95 . . 69 GLY N . 18523 1
765 . 1 1 70 70 GLN H H 1 8.127 0.005 . 1 . . 135 . . 70 GLN H . 18523 1
766 . 1 1 70 70 GLN HA H 1 4.371 0.004 . 1 . . 665 . . 70 GLN HA . 18523 1
767 . 1 1 70 70 GLN HB2 H 1 1.980 0.01 . 1 . . 667 . . 70 GLN HB2 . 18523 1
768 . 1 1 70 70 GLN HB3 H 1 2.150 0.006 . 1 . . 666 . . 70 GLN HB3 . 18523 1
769 . 1 1 70 70 GLN HG2 H 1 2.339 0.009 . 1 . . 1072 . . 70 GLN HG2 . 18523 1
770 . 1 1 70 70 GLN HG3 H 1 2.339 0.009 . 1 . . 1071 . . 70 GLN HG3 . 18523 1
771 . 1 1 70 70 GLN HE22 H 1 7.392 . . 1 . . 222 . . 70 GLN HE22 . 18523 1
772 . 1 1 70 70 GLN C C 13 176.483 0.013 . 1 . . 295 . . 70 GLN C . 18523 1
773 . 1 1 70 70 GLN CA C 13 56.146 0.032 . 1 . . 318 . . 70 GLN CA . 18523 1
774 . 1 1 70 70 GLN CB C 13 29.733 0.027 . 1 . . 296 . . 70 GLN CB . 18523 1
775 . 1 1 70 70 GLN CG C 13 34.085 0.017 . 1 . . 1073 . . 70 GLN CG . 18523 1
776 . 1 1 70 70 GLN N N 15 119.492 0.03 . 1 . . 136 . . 70 GLN N . 18523 1
777 . 1 1 71 71 GLY H H 1 8.346 0.004 . 1 . . 133 . . 71 GLY H . 18523 1
778 . 1 1 71 71 GLY HA2 H 1 3.936 0.007 . 1 . . 669 . . 71 GLY HA2 . 18523 1
779 . 1 1 71 71 GLY HA3 H 1 3.950 0.011 . 1 . . 668 . . 71 GLY HA3 . 18523 1
780 . 1 1 71 71 GLY C C 13 173.934 0.003 . 1 . . 297 . . 71 GLY C . 18523 1
781 . 1 1 71 71 GLY CA C 13 45.752 0.064 . 1 . . 298 . . 71 GLY CA . 18523 1
782 . 1 1 71 71 GLY N N 15 109.805 0.027 . 1 . . 134 . . 71 GLY N . 18523 1
783 . 1 1 72 72 GLU H H 1 8.159 0.009 . 1 . . 158 . . 72 GLU H . 18523 1
784 . 1 1 72 72 GLU HA H 1 4.402 0.018 . 1 . . 670 . . 72 GLU HA . 18523 1
785 . 1 1 72 72 GLU HB2 H 1 1.937 0.006 . 1 . . 672 . . 72 GLU HB2 . 18523 1
786 . 1 1 72 72 GLU HB3 H 1 2.081 0.025 . 1 . . 671 . . 72 GLU HB3 . 18523 1
787 . 1 1 72 72 GLU HG2 H 1 2.309 0.004 . 1 . . 1074 . . 72 GLU HG2 . 18523 1
788 . 1 1 72 72 GLU HG3 H 1 2.309 0.004 . 1 . . 1075 . . 72 GLU HG3 . 18523 1
789 . 1 1 72 72 GLU C C 13 176.537 0.011 . 1 . . 299 . . 72 GLU C . 18523 1
790 . 1 1 72 72 GLU CA C 13 56.619 0.034 . 1 . . 306 . . 72 GLU CA . 18523 1
791 . 1 1 72 72 GLU CB C 13 30.707 0.046 . 1 . . 300 . . 72 GLU CB . 18523 1
792 . 1 1 72 72 GLU CG C 13 35.804 0.008 . 1 . . 1076 . . 72 GLU CG . 18523 1
793 . 1 1 72 72 GLU N N 15 120.393 0.031 . 1 . . 159 . . 72 GLU N . 18523 1
794 . 1 1 73 73 SER H H 1 8.662 0.013 . 1 . . 130 . . 73 SER H . 18523 1
795 . 1 1 73 73 SER HA H 1 4.547 0.005 . 1 . . 675 . . 73 SER HA . 18523 1
796 . 1 1 73 73 SER HB2 H 1 3.977 0.004 . 1 . . 673 . . 73 SER HB2 . 18523 1
797 . 1 1 73 73 SER HB3 H 1 4.236 0.005 . 1 . . 674 . . 73 SER HB3 . 18523 1
798 . 1 1 73 73 SER C C 13 175.424 0.007 . 1 . . 302 . . 73 SER C . 18523 1
799 . 1 1 73 73 SER CA C 13 58.241 0.025 . 1 . . 305 . . 73 SER CA . 18523 1
800 . 1 1 73 73 SER CB C 13 64.849 0.042 . 1 . . 301 . . 73 SER CB . 18523 1
801 . 1 1 73 73 SER N N 15 118.037 0.118 . 1 . . 131 . . 73 SER N . 18523 1
802 . 1 1 74 74 LEU H H 1 8.462 0.013 . 1 . . 100 . . 74 LEU H . 18523 1
803 . 1 1 74 74 LEU HA H 1 4.168 0.006 . 1 . . 676 . . 74 LEU HA . 18523 1
804 . 1 1 74 74 LEU HB2 H 1 1.582 0.009 . 1 . . 677 . . 74 LEU HB2 . 18523 1
805 . 1 1 74 74 LEU HB3 H 1 1.804 0.004 . 1 . . 686 . . 74 LEU HB3 . 18523 1
806 . 1 1 74 74 LEU HG H 1 1.726 0.005 . 1 . . 1077 . . 74 LEU HG . 18523 1
807 . 1 1 74 74 LEU HD11 H 1 0.903 0.008 . 1 . . 1078 . . 74 LEU HD11 . 18523 1
808 . 1 1 74 74 LEU HD12 H 1 0.903 0.008 . 1 . . 1078 . . 74 LEU HD12 . 18523 1
809 . 1 1 74 74 LEU HD13 H 1 0.903 0.008 . 1 . . 1078 . . 74 LEU HD13 . 18523 1
810 . 1 1 74 74 LEU HD21 H 1 0.954 0.008 . 1 . . 1079 . . 74 LEU HD21 . 18523 1
811 . 1 1 74 74 LEU HD22 H 1 0.954 0.008 . 1 . . 1079 . . 74 LEU HD22 . 18523 1
812 . 1 1 74 74 LEU HD23 H 1 0.954 0.008 . 1 . . 1079 . . 74 LEU HD23 . 18523 1
813 . 1 1 74 74 LEU C C 13 178.486 0.017 . 1 . . 304 . . 74 LEU C . 18523 1
814 . 1 1 74 74 LEU CA C 13 58.179 0.042 . 1 . . 319 . . 74 LEU CA . 18523 1
815 . 1 1 74 74 LEU CB C 13 42.078 0.037 . 1 . . 303 . . 74 LEU CB . 18523 1
816 . 1 1 74 74 LEU CG C 13 27.526 0.028 . 1 . . 1080 . . 74 LEU CG . 18523 1
817 . 1 1 74 74 LEU CD1 C 13 24.458 0.057 . 1 . . 1082 . . 74 LEU CD1 . 18523 1
818 . 1 1 74 74 LEU CD2 C 13 25.085 0.029 . 1 . . 1081 . . 74 LEU CD2 . 18523 1
819 . 1 1 74 74 LEU N N 15 124.133 0.035 . 1 . . 101 . . 74 LEU N . 18523 1
820 . 1 1 75 75 ALA H H 1 8.102 0.008 . 1 . . 77 . . 75 ALA H . 18523 1
821 . 1 1 75 75 ALA HA H 1 3.952 0.004 . 1 . . 688 . . 75 ALA HA . 18523 1
822 . 1 1 75 75 ALA HB1 H 1 1.395 0.03 . 1 . . 687 . . 75 ALA HB1 . 18523 1
823 . 1 1 75 75 ALA HB2 H 1 1.395 0.03 . 1 . . 687 . . 75 ALA HB2 . 18523 1
824 . 1 1 75 75 ALA HB3 H 1 1.395 0.03 . 1 . . 687 . . 75 ALA HB3 . 18523 1
825 . 1 1 75 75 ALA C C 13 179.117 0.017 . 1 . . 866 . . 75 ALA C . 18523 1
826 . 1 1 75 75 ALA CA C 13 55.469 0.021 . 1 . . 867 . . 75 ALA CA . 18523 1
827 . 1 1 75 75 ALA CB C 13 18.707 0.033 . 1 . . 678 . . 75 ALA CB . 18523 1
828 . 1 1 75 75 ALA N N 15 120.053 0.024 . 1 . . 78 . . 75 ALA N . 18523 1
829 . 1 1 76 76 ASP H H 1 7.705 0.004 . 1 . . 126 . . 76 ASP H . 18523 1
830 . 1 1 76 76 ASP HA H 1 4.372 0.005 . 1 . . 868 . . 76 ASP HA . 18523 1
831 . 1 1 76 76 ASP HB2 H 1 2.728 0.009 . 1 . . 869 . . 76 ASP HB2 . 18523 1
832 . 1 1 76 76 ASP HB3 H 1 2.787 0.003 . 1 . . 870 . . 76 ASP HB3 . 18523 1
833 . 1 1 76 76 ASP C C 13 178.501 0.009 . 1 . . 422 . . 76 ASP C . 18523 1
834 . 1 1 76 76 ASP CA C 13 57.306 0.028 . 1 . . 682 . . 76 ASP CA . 18523 1
835 . 1 1 76 76 ASP CB C 13 40.629 0.031 . 1 . . 421 . . 76 ASP CB . 18523 1
836 . 1 1 76 76 ASP N N 15 117.182 0.032 . 1 . . 127 . . 76 ASP N . 18523 1
837 . 1 1 77 77 GLN H H 1 7.967 0.013 . 1 . . 73 . . 77 GLN H . 18523 1
838 . 1 1 77 77 GLN HA H 1 4.113 0.007 . 1 . . 872 . . 77 GLN HA . 18523 1
839 . 1 1 77 77 GLN HB2 H 1 2.132 0.013 . 1 . . 875 . . 77 GLN HB2 . 18523 1
840 . 1 1 77 77 GLN HB3 H 1 2.131 0.012 . 1 . . 871 . . 77 GLN HB3 . 18523 1
841 . 1 1 77 77 GLN HG2 H 1 2.265 0.006 . 1 . . 1083 . . 77 GLN HG2 . 18523 1
842 . 1 1 77 77 GLN HG3 H 1 2.399 0.012 . 1 . . 1084 . . 77 GLN HG3 . 18523 1
843 . 1 1 77 77 GLN HE21 H 1 6.660 . . 1 . . 244 . . 77 GLN HE21 . 18523 1
844 . 1 1 77 77 GLN HE22 H 1 6.865 . . 1 . . 25 . . 77 GLN HE22 . 18523 1
845 . 1 1 77 77 GLN C C 13 178.079 0.017 . 1 . . 523 . . 77 GLN C . 18523 1
846 . 1 1 77 77 GLN CA C 13 58.740 0.063 . 1 . . 425 . . 77 GLN CA . 18523 1
847 . 1 1 77 77 GLN CB C 13 29.509 0.026 . 1 . . 522 . . 77 GLN CB . 18523 1
848 . 1 1 77 77 GLN CG C 13 34.745 0.053 . 1 . . 1085 . . 77 GLN CG . 18523 1
849 . 1 1 77 77 GLN N N 15 119.452 0.06 . 1 . . 74 . . 77 GLN N . 18523 1
850 . 1 1 78 78 ALA H H 1 8.448 0.007 . 1 . . 193 . . 78 ALA H . 18523 1
851 . 1 1 78 78 ALA HA H 1 4.112 0.005 . 1 . . 873 . . 78 ALA HA . 18523 1
852 . 1 1 78 78 ALA HB1 H 1 1.490 0.013 . 1 . . 874 . . 78 ALA HB1 . 18523 1
853 . 1 1 78 78 ALA HB2 H 1 1.490 0.013 . 1 . . 874 . . 78 ALA HB2 . 18523 1
854 . 1 1 78 78 ALA HB3 H 1 1.490 0.013 . 1 . . 874 . . 78 ALA HB3 . 18523 1
855 . 1 1 78 78 ALA C C 13 179.095 0.001 . 1 . . 423 . . 78 ALA C . 18523 1
856 . 1 1 78 78 ALA CA C 13 55.422 0.031 . 1 . . 679 . . 78 ALA CA . 18523 1
857 . 1 1 78 78 ALA CB C 13 18.663 0.017 . 1 . . 424 . . 78 ALA CB . 18523 1
858 . 1 1 78 78 ALA N N 15 121.361 0.026 . 1 . . 194 . . 78 ALA N . 18523 1
859 . 1 1 79 79 ARG H H 1 8.043 0.005 . 1 . . 5 . . 79 ARG H . 18523 1
860 . 1 1 79 79 ARG HA H 1 3.971 0.007 . 1 . . 877 . . 79 ARG HA . 18523 1
861 . 1 1 79 79 ARG HB2 H 1 1.925 0.01 . 1 . . 878 . . 79 ARG HB2 . 18523 1
862 . 1 1 79 79 ARG HB3 H 1 1.925 0.01 . 1 . . 879 . . 79 ARG HB3 . 18523 1
863 . 1 1 79 79 ARG HG2 H 1 1.620 0.013 . 1 . . 1087 . . 79 ARG HG2 . 18523 1
864 . 1 1 79 79 ARG HG3 H 1 1.866 0.017 . 1 . . 1086 . . 79 ARG HG3 . 18523 1
865 . 1 1 79 79 ARG HD2 H 1 3.227 0.018 . 1 . . 1088 . . 79 ARG HD2 . 18523 1
866 . 1 1 79 79 ARG HD3 H 1 3.233 0.014 . 1 . . 1089 . . 79 ARG HD3 . 18523 1
867 . 1 1 79 79 ARG HE H 1 7.125 0.002 . 1 . . 57 . . 79 ARG HE . 18523 1
868 . 1 1 79 79 ARG C C 13 179.088 . . 1 . . 876 . . 79 ARG C . 18523 1
869 . 1 1 79 79 ARG CA C 13 59.919 0.041 . 1 . . 681 . . 79 ARG CA . 18523 1
870 . 1 1 79 79 ARG CB C 13 30.313 0.136 . 1 . . 680 . . 79 ARG CB . 18523 1
871 . 1 1 79 79 ARG CG C 13 28.615 0.041 . 1 . . 1090 . . 79 ARG CG . 18523 1
872 . 1 1 79 79 ARG CD C 13 43.626 0.013 . 1 . . 1091 . . 79 ARG CD . 18523 1
873 . 1 1 79 79 ARG CZ C 13 159.547 . . 1 . . 1387 . . 79 ARG CZ . 18523 1
874 . 1 1 79 79 ARG N N 15 116.956 0.029 . 1 . . 6 . . 79 ARG N . 18523 1
875 . 1 1 79 79 ARG NE N 15 84.738 0.029 . 1 . . 58 . . 79 ARG NE . 18523 1
876 . 1 1 80 80 ASP H H 1 7.966 0.004 . 1 . . 75 . . 80 ASP H . 18523 1
877 . 1 1 80 80 ASP HA H 1 4.469 0.006 . 1 . . 862 . . 80 ASP HA . 18523 1
878 . 1 1 80 80 ASP HB2 H 1 2.581 0.005 . 1 . . 881 . . 80 ASP HB2 . 18523 1
879 . 1 1 80 80 ASP HB3 H 1 2.728 0.007 . 1 . . 880 . . 80 ASP HB3 . 18523 1
880 . 1 1 80 80 ASP C C 13 179.031 0.009 . 1 . . 864 . . 80 ASP C . 18523 1
881 . 1 1 80 80 ASP CA C 13 57.167 0.046 . 1 . . 863 . . 80 ASP CA . 18523 1
882 . 1 1 80 80 ASP CB C 13 40.219 0.041 . 1 . . 865 . . 80 ASP CB . 18523 1
883 . 1 1 80 80 ASP N N 15 120.753 0.026 . 1 . . 76 . . 80 ASP N . 18523 1
884 . 1 1 81 81 TYR H H 1 8.090 0.015 . 1 . . 267 . . 81 TYR H . 18523 1
885 . 1 1 81 81 TYR HA H 1 4.416 0.016 . 1 . . 858 . . 81 TYR HA . 18523 1
886 . 1 1 81 81 TYR HB2 H 1 3.070 0.003 . 1 . . 861 . . 81 TYR HB2 . 18523 1
887 . 1 1 81 81 TYR HB3 H 1 3.071 0.004 . 1 . . 859 . . 81 TYR HB3 . 18523 1
888 . 1 1 81 81 TYR HD1 H 1 7.082 0.002 . 3 . . 1124 . . 81 TYR HD1 . 18523 1
889 . 1 1 81 81 TYR HD2 H 1 7.082 0.002 . 3 . . 1124 . . 81 TYR HD2 . 18523 1
890 . 1 1 81 81 TYR HE1 H 1 6.795 . . 3 . . 1136 . . 81 TYR HE1 . 18523 1
891 . 1 1 81 81 TYR HE2 H 1 6.795 . . 3 . . 1136 . . 81 TYR HE2 . 18523 1
892 . 1 1 81 81 TYR C C 13 177.906 0.002 . 1 . . 508 . . 81 TYR C . 18523 1
893 . 1 1 81 81 TYR CA C 13 61.003 0.047 . 1 . . 521 . . 81 TYR CA . 18523 1
894 . 1 1 81 81 TYR CB C 13 38.562 0.019 . 1 . . 509 . . 81 TYR CB . 18523 1
895 . 1 1 81 81 TYR CD1 C 13 133.056 0.064 . 3 . . 1128 . . 81 TYR CD1 . 18523 1
896 . 1 1 81 81 TYR CD2 C 13 133.056 0.064 . 3 . . 1128 . . 81 TYR CD2 . 18523 1
897 . 1 1 81 81 TYR CE1 C 13 118.791 . . 3 . . 1137 . . 81 TYR CE1 . 18523 1
898 . 1 1 81 81 TYR CE2 C 13 118.791 . . 3 . . 1137 . . 81 TYR CE2 . 18523 1
899 . 1 1 81 81 TYR N N 15 120.169 0.034 . 1 . . 268 . . 81 TYR N . 18523 1
900 . 1 1 82 82 MET H H 1 8.356 0.007 . 1 . . 169 . . 82 MET H . 18523 1
901 . 1 1 82 82 MET HA H 1 4.212 0.005 . 1 . . 857 . . 82 MET HA . 18523 1
902 . 1 1 82 82 MET HB2 H 1 2.587 0.004 . 1 . . 860 . . 82 MET HB2 . 18523 1
903 . 1 1 82 82 MET HB3 H 1 2.711 0.005 . 1 . . 1092 . . 82 MET HB3 . 18523 1
904 . 1 1 82 82 MET HG2 H 1 2.157 0.008 . 1 . . 856 . . 82 MET HG2 . 18523 1
905 . 1 1 82 82 MET HG3 H 1 2.236 0.006 . 1 . . 1093 . . 82 MET HG3 . 18523 1
906 . 1 1 82 82 MET C C 13 178.201 0.025 . 1 . . 511 . . 82 MET C . 18523 1
907 . 1 1 82 82 MET CA C 13 59.004 0.025 . 1 . . 520 . . 82 MET CA . 18523 1
908 . 1 1 82 82 MET CB C 13 33.033 0.132 . 1 . . 510 . . 82 MET CB . 18523 1
909 . 1 1 82 82 MET CG C 13 32.904 0.101 . 1 . . 1094 . . 82 MET CG . 18523 1
910 . 1 1 82 82 MET N N 15 118.378 0.047 . 1 . . 170 . . 82 MET N . 18523 1
911 . 1 1 83 83 GLY H H 1 8.255 0.005 . 1 . . 122 . . 83 GLY H . 18523 1
912 . 1 1 83 83 GLY HA2 H 1 3.837 0.003 . 1 . . 855 . . 83 GLY HA2 . 18523 1
913 . 1 1 83 83 GLY HA3 H 1 3.993 0.007 . 1 . . 854 . . 83 GLY HA3 . 18523 1
914 . 1 1 83 83 GLY C C 13 176.717 0.017 . 1 . . 518 . . 83 GLY C . 18523 1
915 . 1 1 83 83 GLY CA C 13 47.488 0.045 . 1 . . 519 . . 83 GLY CA . 18523 1
916 . 1 1 83 83 GLY N N 15 106.544 0.031 . 1 . . 123 . . 83 GLY N . 18523 1
917 . 1 1 84 84 ALA H H 1 7.840 0.005 . 1 . . 229 . . 84 ALA H . 18523 1
918 . 1 1 84 84 ALA HA H 1 4.265 0.005 . 1 . . 852 . . 84 ALA HA . 18523 1
919 . 1 1 84 84 ALA HB1 H 1 1.561 0.007 . 1 . . 853 . . 84 ALA HB1 . 18523 1
920 . 1 1 84 84 ALA HB2 H 1 1.561 0.007 . 1 . . 853 . . 84 ALA HB2 . 18523 1
921 . 1 1 84 84 ALA HB3 H 1 1.561 0.007 . 1 . . 853 . . 84 ALA HB3 . 18523 1
922 . 1 1 84 84 ALA C C 13 180.192 0.005 . 1 . . 512 . . 84 ALA C . 18523 1
923 . 1 1 84 84 ALA CA C 13 54.802 0.038 . 1 . . 851 . . 84 ALA CA . 18523 1
924 . 1 1 84 84 ALA CB C 13 18.658 0.019 . 1 . . 513 . . 84 ALA CB . 18523 1
925 . 1 1 84 84 ALA N N 15 125.254 0.037 . 1 . . 230 . . 84 ALA N . 18523 1
926 . 1 1 85 85 ALA H H 1 8.285 0.012 . 1 . . 160 . . 85 ALA H . 18523 1
927 . 1 1 85 85 ALA HA H 1 3.993 0.004 . 1 . . 847 . . 85 ALA HA . 18523 1
928 . 1 1 85 85 ALA HB1 H 1 1.506 0.007 . 1 . . 848 . . 85 ALA HB1 . 18523 1
929 . 1 1 85 85 ALA HB2 H 1 1.506 0.007 . 1 . . 848 . . 85 ALA HB2 . 18523 1
930 . 1 1 85 85 ALA HB3 H 1 1.506 0.007 . 1 . . 848 . . 85 ALA HB3 . 18523 1
931 . 1 1 85 85 ALA C C 13 178.884 0.011 . 1 . . 515 . . 85 ALA C . 18523 1
932 . 1 1 85 85 ALA CA C 13 55.452 0.019 . 1 . . 849 . . 85 ALA CA . 18523 1
933 . 1 1 85 85 ALA CB C 13 18.616 0.021 . 1 . . 514 . . 85 ALA CB . 18523 1
934 . 1 1 85 85 ALA N N 15 121.168 0.046 . 1 . . 161 . . 85 ALA N . 18523 1
935 . 1 1 86 86 LYS H H 1 8.306 0.005 . 1 . . 104 . . 86 LYS H . 18523 1
936 . 1 1 86 86 LYS HA H 1 3.853 0.016 . 1 . . 845 . . 86 LYS HA . 18523 1
937 . 1 1 86 86 LYS HB2 H 1 1.942 0.018 . 1 . . 844 . . 86 LYS HB2 . 18523 1
938 . 1 1 86 86 LYS HB3 H 1 2.006 0.016 . 1 . . 846 . . 86 LYS HB3 . 18523 1
939 . 1 1 86 86 LYS HG2 H 1 1.469 0.008 . 1 . . 1408 . . 86 LYS HG2 . 18523 1
940 . 1 1 86 86 LYS HG3 H 1 1.587 0.007 . 1 . . 1410 . . 86 LYS HG3 . 18523 1
941 . 1 1 86 86 LYS HD2 H 1 1.761 0.03 . 1 . . 1414 . . 86 LYS HD2 . 18523 1
942 . 1 1 86 86 LYS HD3 H 1 1.753 0.029 . 1 . . 1415 . . 86 LYS HD3 . 18523 1
943 . 1 1 86 86 LYS HE2 H 1 2.998 0.006 . 1 . . 1411 . . 86 LYS HE2 . 18523 1
944 . 1 1 86 86 LYS HE3 H 1 2.998 0.006 . 1 . . 1412 . . 86 LYS HE3 . 18523 1
945 . 1 1 86 86 LYS C C 13 178.470 0.003 . 1 . . 516 . . 86 LYS C . 18523 1
946 . 1 1 86 86 LYS CA C 13 60.393 0.043 . 1 . . 843 . . 86 LYS CA . 18523 1
947 . 1 1 86 86 LYS CB C 13 32.442 0.011 . 1 . . 517 . . 86 LYS CB . 18523 1
948 . 1 1 86 86 LYS CG C 13 25.767 0.075 . 1 . . 1409 . . 86 LYS CG . 18523 1
949 . 1 1 86 86 LYS CD C 13 29.712 0.023 . 1 . . 1413 . . 86 LYS CD . 18523 1
950 . 1 1 86 86 LYS N N 15 116.851 0.032 . 1 . . 105 . . 86 LYS N . 18523 1
951 . 1 1 87 87 SER H H 1 7.804 0.012 . 1 . . 87 . . 87 SER H . 18523 1
952 . 1 1 87 87 SER HA H 1 4.284 0.005 . 1 . . 841 . . 87 SER HA . 18523 1
953 . 1 1 87 87 SER HB2 H 1 4.027 0.01 . 1 . . 842 . . 87 SER HB2 . 18523 1
954 . 1 1 87 87 SER HB3 H 1 4.027 0.01 . 1 . . 840 . . 87 SER HB3 . 18523 1
955 . 1 1 87 87 SER C C 13 176.485 . . 1 . . 850 . . 87 SER C . 18523 1
956 . 1 1 87 87 SER CA C 13 61.764 0.051 . 1 . . 839 . . 87 SER CA . 18523 1
957 . 1 1 87 87 SER CB C 13 63.237 0.034 . 1 . . 838 . . 87 SER CB . 18523 1
958 . 1 1 87 87 SER N N 15 113.477 0.032 . 1 . . 88 . . 87 SER N . 18523 1
959 . 1 1 88 88 LYS H H 1 7.790 0.004 . 1 . . 59 . . 88 LYS H . 18523 1
960 . 1 1 88 88 LYS HA H 1 4.325 0.011 . 1 . . 834 . . 88 LYS HA . 18523 1
961 . 1 1 88 88 LYS HB2 H 1 1.905 0.009 . 1 . . 836 . . 88 LYS HB2 . 18523 1
962 . 1 1 88 88 LYS HB3 H 1 1.995 0.006 . 1 . . 835 . . 88 LYS HB3 . 18523 1
963 . 1 1 88 88 LYS HG2 H 1 1.562 0.047 . 1 . . 1401 . . 88 LYS HG2 . 18523 1
964 . 1 1 88 88 LYS HG3 H 1 1.588 0.008 . 1 . . 1402 . . 88 LYS HG3 . 18523 1
965 . 1 1 88 88 LYS HD2 H 1 1.541 0.003 . 1 . . 1404 . . 88 LYS HD2 . 18523 1
966 . 1 1 88 88 LYS HD3 H 1 1.541 0.003 . 1 . . 1403 . . 88 LYS HD3 . 18523 1
967 . 1 1 88 88 LYS HE2 H 1 2.995 0.0 . 1 . . 1406 . . 88 LYS HE2 . 18523 1
968 . 1 1 88 88 LYS HE3 H 1 2.995 0.0 . 1 . . 1407 . . 88 LYS HE3 . 18523 1
969 . 1 1 88 88 LYS C C 13 178.554 0.041 . 1 . . 833 . . 88 LYS C . 18523 1
970 . 1 1 88 88 LYS CA C 13 57.817 0.06 . 1 . . 831 . . 88 LYS CA . 18523 1
971 . 1 1 88 88 LYS CB C 13 32.092 0.03 . 1 . . 832 . . 88 LYS CB . 18523 1
972 . 1 1 88 88 LYS CG C 13 25.487 0.005 . 1 . . 1405 . . 88 LYS CG . 18523 1
973 . 1 1 88 88 LYS N N 15 120.750 0.026 . 1 . . 60 . . 88 LYS N . 18523 1
974 . 1 1 89 89 LEU H H 1 8.126 0.008 . 1 . . 98 . . 89 LEU H . 18523 1
975 . 1 1 89 89 LEU HA H 1 4.072 0.007 . 1 . . 829 . . 89 LEU HA . 18523 1
976 . 1 1 89 89 LEU HB2 H 1 1.786 0.021 . 1 . . 837 . . 89 LEU HB2 . 18523 1
977 . 1 1 89 89 LEU HB3 H 1 1.787 0.02 . 1 . . 830 . . 89 LEU HB3 . 18523 1
978 . 1 1 89 89 LEU HG H 1 1.788 0.004 . 1 . . 1116 . . 89 LEU HG . 18523 1
979 . 1 1 89 89 LEU HD11 H 1 0.902 0.005 . 1 . . 1118 . . 89 LEU HD11 . 18523 1
980 . 1 1 89 89 LEU HD12 H 1 0.902 0.005 . 1 . . 1118 . . 89 LEU HD12 . 18523 1
981 . 1 1 89 89 LEU HD13 H 1 0.902 0.005 . 1 . . 1118 . . 89 LEU HD13 . 18523 1
982 . 1 1 89 89 LEU HD21 H 1 0.904 0.005 . 1 . . 1117 . . 89 LEU HD21 . 18523 1
983 . 1 1 89 89 LEU HD22 H 1 0.904 0.005 . 1 . . 1117 . . 89 LEU HD22 . 18523 1
984 . 1 1 89 89 LEU HD23 H 1 0.904 0.005 . 1 . . 1117 . . 89 LEU HD23 . 18523 1
985 . 1 1 89 89 LEU C C 13 178.290 0.054 . 1 . . 826 . . 89 LEU C . 18523 1
986 . 1 1 89 89 LEU CA C 13 58.349 0.031 . 1 . . 828 . . 89 LEU CA . 18523 1
987 . 1 1 89 89 LEU CB C 13 41.785 0.032 . 1 . . 827 . . 89 LEU CB . 18523 1
988 . 1 1 89 89 LEU CG C 13 27.311 0.054 . 1 . . 1115 . . 89 LEU CG . 18523 1
989 . 1 1 89 89 LEU CD1 C 13 24.875 0.035 . 1 . . 1120 . . 89 LEU CD1 . 18523 1
990 . 1 1 89 89 LEU CD2 C 13 24.878 0.035 . 1 . . 1119 . . 89 LEU CD2 . 18523 1
991 . 1 1 89 89 LEU N N 15 119.827 0.039 . 1 . . 99 . . 89 LEU N . 18523 1
992 . 1 1 90 90 ASN H H 1 8.160 0.006 . 1 . . 142 . . 90 ASN H . 18523 1
993 . 1 1 90 90 ASN HA H 1 4.370 0.01 . 1 . . 823 . . 90 ASN HA . 18523 1
994 . 1 1 90 90 ASN HB2 H 1 2.909 0.03 . 1 . . 825 . . 90 ASN HB2 . 18523 1
995 . 1 1 90 90 ASN HB3 H 1 2.911 0.03 . 1 . . 824 . . 90 ASN HB3 . 18523 1
996 . 1 1 90 90 ASN HD21 H 1 6.763 . . 1 . . 189 . . 90 ASN HD21 . 18523 1
997 . 1 1 90 90 ASN HD22 H 1 7.488 . . 1 . . 239 . . 90 ASN HD22 . 18523 1
998 . 1 1 90 90 ASN C C 13 177.721 0.009 . 1 . . 821 . . 90 ASN C . 18523 1
999 . 1 1 90 90 ASN CA C 13 57.322 0.022 . 1 . . 822 . . 90 ASN CA . 18523 1
1000 . 1 1 90 90 ASN CB C 13 39.100 0.048 . 1 . . 820 . . 90 ASN CB . 18523 1
1001 . 1 1 90 90 ASN N N 15 116.901 0.034 . 1 . . 143 . . 90 ASN N . 18523 1
1002 . 1 1 91 91 ASP H H 1 7.979 0.017 . 1 . . 257 . . 91 ASP H . 18523 1
1003 . 1 1 91 91 ASP HA H 1 4.434 0.006 . 1 . . 819 . . 91 ASP HA . 18523 1
1004 . 1 1 91 91 ASP HB2 H 1 2.719 0.005 . 1 . . 817 . . 91 ASP HB2 . 18523 1
1005 . 1 1 91 91 ASP HB3 H 1 2.929 0.006 . 1 . . 818 . . 91 ASP HB3 . 18523 1
1006 . 1 1 91 91 ASP C C 13 178.764 0.012 . 1 . . 816 . . 91 ASP C . 18523 1
1007 . 1 1 91 91 ASP CA C 13 57.530 0.016 . 1 . . 813 . . 91 ASP CA . 18523 1
1008 . 1 1 91 91 ASP CB C 13 40.227 0.069 . 1 . . 815 . . 91 ASP CB . 18523 1
1009 . 1 1 91 91 ASP N N 15 119.712 0.039 . 1 . . 258 . . 91 ASP N . 18523 1
1010 . 1 1 92 92 ALA H H 1 8.198 0.013 . 1 . . 7 . . 92 ALA H . 18523 1
1011 . 1 1 92 92 ALA HA H 1 4.180 0.008 . 1 . . 807 . . 92 ALA HA . 18523 1
1012 . 1 1 92 92 ALA HB1 H 1 1.577 0.029 . 1 . . 808 . . 92 ALA HB1 . 18523 1
1013 . 1 1 92 92 ALA HB2 H 1 1.577 0.029 . 1 . . 808 . . 92 ALA HB2 . 18523 1
1014 . 1 1 92 92 ALA HB3 H 1 1.577 0.029 . 1 . . 808 . . 92 ALA HB3 . 18523 1
1015 . 1 1 92 92 ALA C C 13 178.973 0.004 . 1 . . 804 . . 92 ALA C . 18523 1
1016 . 1 1 92 92 ALA CA C 13 55.667 0.018 . 1 . . 805 . . 92 ALA CA . 18523 1
1017 . 1 1 92 92 ALA CB C 13 18.651 0.042 . 1 . . 806 . . 92 ALA CB . 18523 1
1018 . 1 1 92 92 ALA N N 15 123.685 0.043 . 1 . . 8 . . 92 ALA N . 18523 1
1019 . 1 1 93 93 VAL H H 1 8.387 0.006 . 1 . . 237 . . 93 VAL H . 18523 1
1020 . 1 1 93 93 VAL HA H 1 3.573 0.004 . 1 . . 803 . . 93 VAL HA . 18523 1
1021 . 1 1 93 93 VAL HB H 1 2.284 0.006 . 1 . . 802 . . 93 VAL HB . 18523 1
1022 . 1 1 93 93 VAL HG11 H 1 0.985 0.005 . 1 . . 1112 . . 93 VAL HG11 . 18523 1
1023 . 1 1 93 93 VAL HG12 H 1 0.985 0.005 . 1 . . 1112 . . 93 VAL HG12 . 18523 1
1024 . 1 1 93 93 VAL HG13 H 1 0.985 0.005 . 1 . . 1112 . . 93 VAL HG13 . 18523 1
1025 . 1 1 93 93 VAL HG21 H 1 1.116 0.004 . 1 . . 1111 . . 93 VAL HG21 . 18523 1
1026 . 1 1 93 93 VAL HG22 H 1 1.116 0.004 . 1 . . 1111 . . 93 VAL HG22 . 18523 1
1027 . 1 1 93 93 VAL HG23 H 1 1.116 0.004 . 1 . . 1111 . . 93 VAL HG23 . 18523 1
1028 . 1 1 93 93 VAL C C 13 178.787 . . 1 . . 810 . . 93 VAL C . 18523 1
1029 . 1 1 93 93 VAL CA C 13 67.300 0.039 . 1 . . 811 . . 93 VAL CA . 18523 1
1030 . 1 1 93 93 VAL CB C 13 31.946 0.094 . 1 . . 809 . . 93 VAL CB . 18523 1
1031 . 1 1 93 93 VAL CG1 C 13 21.552 0.009 . 1 . . 1114 . . 93 VAL CG1 . 18523 1
1032 . 1 1 93 93 VAL CG2 C 13 23.297 0.046 . 1 . . 1113 . . 93 VAL CG2 . 18523 1
1033 . 1 1 93 93 VAL N N 15 118.048 0.035 . 1 . . 238 . . 93 VAL N . 18523 1
1034 . 1 1 94 94 GLU H H 1 8.124 0.006 . 1 . . 116 . . 94 GLU H . 18523 1
1035 . 1 1 94 94 GLU HA H 1 4.027 0.007 . 1 . . 693 . . 94 GLU HA . 18523 1
1036 . 1 1 94 94 GLU HB2 H 1 2.133 0.014 . 1 . . 812 . . 94 GLU HB2 . 18523 1
1037 . 1 1 94 94 GLU HB3 H 1 2.148 0.017 . 1 . . 692 . . 94 GLU HB3 . 18523 1
1038 . 1 1 94 94 GLU HG2 H 1 2.429 0.008 . 1 . . 1398 . . 94 GLU HG2 . 18523 1
1039 . 1 1 94 94 GLU HG3 H 1 2.429 0.008 . 1 . . 1400 . . 94 GLU HG3 . 18523 1
1040 . 1 1 94 94 GLU C C 13 179.323 0.014 . 1 . . 800 . . 94 GLU C . 18523 1
1041 . 1 1 94 94 GLU CA C 13 59.800 0.021 . 1 . . 801 . . 94 GLU CA . 18523 1
1042 . 1 1 94 94 GLU CB C 13 29.433 0.065 . 1 . . 799 . . 94 GLU CB . 18523 1
1043 . 1 1 94 94 GLU CG C 13 36.226 0.003 . 1 . . 1399 . . 94 GLU CG . 18523 1
1044 . 1 1 94 94 GLU N N 15 120.276 0.027 . 1 . . 117 . . 94 GLU N . 18523 1
1045 . 1 1 95 95 TYR H H 1 8.146 0.004 . 1 . . 33 . . 95 TYR H . 18523 1
1046 . 1 1 95 95 TYR HA H 1 4.205 0.022 . 1 . . 689 . . 95 TYR HA . 18523 1
1047 . 1 1 95 95 TYR HB2 H 1 3.239 0.005 . 1 . . 690 . . 95 TYR HB2 . 18523 1
1048 . 1 1 95 95 TYR HB3 H 1 3.239 0.005 . 1 . . 691 . . 95 TYR HB3 . 18523 1
1049 . 1 1 95 95 TYR HD1 H 1 7.057 0.005 . 3 . . 1125 . . 95 TYR HD1 . 18523 1
1050 . 1 1 95 95 TYR HD2 H 1 7.057 0.005 . 3 . . 1125 . . 95 TYR HD2 . 18523 1
1051 . 1 1 95 95 TYR HE1 H 1 6.746 0.007 . 3 . . 1135 . . 95 TYR HE1 . 18523 1
1052 . 1 1 95 95 TYR HE2 H 1 6.746 0.007 . 3 . . 1135 . . 95 TYR HE2 . 18523 1
1053 . 1 1 95 95 TYR C C 13 178.407 0.003 . 1 . . 455 . . 95 TYR C . 18523 1
1054 . 1 1 95 95 TYR CA C 13 61.732 0.021 . 1 . . 456 . . 95 TYR CA . 18523 1
1055 . 1 1 95 95 TYR CB C 13 38.756 0.033 . 1 . . 454 . . 95 TYR CB . 18523 1
1056 . 1 1 95 95 TYR CD1 C 13 133.780 0.062 . 3 . . 1129 . . 95 TYR CD1 . 18523 1
1057 . 1 1 95 95 TYR CD2 C 13 133.780 0.062 . 3 . . 1129 . . 95 TYR CD2 . 18523 1
1058 . 1 1 95 95 TYR CE1 C 13 118.676 0.022 . 3 . . 1138 . . 95 TYR CE1 . 18523 1
1059 . 1 1 95 95 TYR CE2 C 13 118.676 0.022 . 3 . . 1138 . . 95 TYR CE2 . 18523 1
1060 . 1 1 95 95 TYR N N 15 120.732 0.022 . 1 . . 34 . . 95 TYR N . 18523 1
1061 . 1 1 96 96 VAL H H 1 8.453 0.005 . 1 . . 231 . . 96 VAL H . 18523 1
1062 . 1 1 96 96 VAL HA H 1 3.459 0.007 . 1 . . 694 . . 96 VAL HA . 18523 1
1063 . 1 1 96 96 VAL HB H 1 2.203 0.021 . 1 . . 695 . . 96 VAL HB . 18523 1
1064 . 1 1 96 96 VAL HG11 H 1 0.972 0.019 . 1 . . 1108 . . 96 VAL HG11 . 18523 1
1065 . 1 1 96 96 VAL HG12 H 1 0.972 0.019 . 1 . . 1108 . . 96 VAL HG12 . 18523 1
1066 . 1 1 96 96 VAL HG13 H 1 0.972 0.019 . 1 . . 1108 . . 96 VAL HG13 . 18523 1
1067 . 1 1 96 96 VAL HG21 H 1 1.216 0.021 . 1 . . 1107 . . 96 VAL HG21 . 18523 1
1068 . 1 1 96 96 VAL HG22 H 1 1.216 0.021 . 1 . . 1107 . . 96 VAL HG22 . 18523 1
1069 . 1 1 96 96 VAL HG23 H 1 1.216 0.021 . 1 . . 1107 . . 96 VAL HG23 . 18523 1
1070 . 1 1 96 96 VAL C C 13 177.748 0.005 . 1 . . 443 . . 96 VAL C . 18523 1
1071 . 1 1 96 96 VAL CA C 13 66.851 0.046 . 1 . . 433 . . 96 VAL CA . 18523 1
1072 . 1 1 96 96 VAL CB C 13 32.116 0.052 . 1 . . 432 . . 96 VAL CB . 18523 1
1073 . 1 1 96 96 VAL CG1 C 13 22.401 0.025 . 1 . . 1110 . . 96 VAL CG1 . 18523 1
1074 . 1 1 96 96 VAL CG2 C 13 23.415 0.025 . 1 . . 1109 . . 96 VAL CG2 . 18523 1
1075 . 1 1 96 96 VAL N N 15 118.420 0.043 . 1 . . 232 . . 96 VAL N . 18523 1
1076 . 1 1 97 97 SER H H 1 8.593 0.003 . 1 . . 9 . . 97 SER H . 18523 1
1077 . 1 1 97 97 SER HA H 1 4.039 0.009 . 1 . . 696 . . 97 SER HA . 18523 1
1078 . 1 1 97 97 SER HB2 H 1 3.984 0.025 . 1 . . 698 . . 97 SER HB2 . 18523 1
1079 . 1 1 97 97 SER HB3 H 1 3.984 0.025 . 1 . . 697 . . 97 SER HB3 . 18523 1
1080 . 1 1 97 97 SER C C 13 176.926 . . 1 . . 445 . . 97 SER C . 18523 1
1081 . 1 1 97 97 SER CA C 13 61.981 0.037 . 1 . . 444 . . 97 SER CA . 18523 1
1082 . 1 1 97 97 SER CB C 13 63.420 0.036 . 1 . . 434 . . 97 SER CB . 18523 1
1083 . 1 1 97 97 SER N N 15 114.411 0.026 . 1 . . 10 . . 97 SER N . 18523 1
1084 . 1 1 98 98 GLY H H 1 7.881 0.006 . 1 . . 149 . . 98 GLY H . 18523 1
1085 . 1 1 98 98 GLY HA2 H 1 3.904 0.025 . 1 . . 700 . . 98 GLY HA2 . 18523 1
1086 . 1 1 98 98 GLY HA3 H 1 3.910 0.025 . 1 . . 699 . . 98 GLY HA3 . 18523 1
1087 . 1 1 98 98 GLY C C 13 175.568 0.002 . 1 . . 435 . . 98 GLY C . 18523 1
1088 . 1 1 98 98 GLY CA C 13 46.697 0.035 . 1 . . 436 . . 98 GLY CA . 18523 1
1089 . 1 1 98 98 GLY N N 15 107.474 0.026 . 1 . . 150 . . 98 GLY N . 18523 1
1090 . 1 1 99 99 ARG H H 1 7.563 0.006 . 1 . . 35 . . 99 ARG H . 18523 1
1091 . 1 1 99 99 ARG HA H 1 4.175 0.008 . 1 . . 701 . . 99 ARG HA . 18523 1
1092 . 1 1 99 99 ARG HB2 H 1 1.746 0.01 . 1 . . 703 . . 99 ARG HB2 . 18523 1
1093 . 1 1 99 99 ARG HB3 H 1 1.838 0.005 . 1 . . 702 . . 99 ARG HB3 . 18523 1
1094 . 1 1 99 99 ARG HG2 H 1 1.474 0.006 . 1 . . 1389 . . 99 ARG HG2 . 18523 1
1095 . 1 1 99 99 ARG HG3 H 1 1.474 0.006 . 1 . . 1388 . . 99 ARG HG3 . 18523 1
1096 . 1 1 99 99 ARG HD2 H 1 2.947 0.006 . 1 . . 1390 . . 99 ARG HD2 . 18523 1
1097 . 1 1 99 99 ARG HD3 H 1 3.071 0.007 . 1 . . 1391 . . 99 ARG HD3 . 18523 1
1098 . 1 1 99 99 ARG HE H 1 7.100 0.002 . 1 . . 37 . . 99 ARG HE . 18523 1
1099 . 1 1 99 99 ARG C C 13 177.899 0.009 . 1 . . 438 . . 99 ARG C . 18523 1
1100 . 1 1 99 99 ARG CA C 13 57.319 0.035 . 1 . . 439 . . 99 ARG CA . 18523 1
1101 . 1 1 99 99 ARG CB C 13 30.321 0.061 . 1 . . 437 . . 99 ARG CB . 18523 1
1102 . 1 1 99 99 ARG CG C 13 27.226 0.097 . 1 . . 1384 . . 99 ARG CG . 18523 1
1103 . 1 1 99 99 ARG CD C 13 42.833 0.017 . 1 . . 1383 . . 99 ARG CD . 18523 1
1104 . 1 1 99 99 ARG CZ C 13 159.562 . . 1 . . 1385 . . 99 ARG CZ . 18523 1
1105 . 1 1 99 99 ARG N N 15 119.821 0.035 . 1 . . 36 . . 99 ARG N . 18523 1
1106 . 1 1 99 99 ARG NE N 15 83.776 0.023 . 1 . . 38 . . 99 ARG NE . 18523 1
1107 . 1 1 100 100 VAL H H 1 7.841 0.008 . 1 . . 216 . . 100 VAL H . 18523 1
1108 . 1 1 100 100 VAL HA H 1 3.924 0.005 . 1 . . 704 . . 100 VAL HA . 18523 1
1109 . 1 1 100 100 VAL HB H 1 2.001 0.005 . 1 . . 705 . . 100 VAL HB . 18523 1
1110 . 1 1 100 100 VAL HG11 H 1 0.753 0.004 . 1 . . 1095 . . 100 VAL HG11 . 18523 1
1111 . 1 1 100 100 VAL HG12 H 1 0.753 0.004 . 1 . . 1095 . . 100 VAL HG12 . 18523 1
1112 . 1 1 100 100 VAL HG13 H 1 0.753 0.004 . 1 . . 1095 . . 100 VAL HG13 . 18523 1
1113 . 1 1 100 100 VAL HG21 H 1 0.875 0.003 . 1 . . 1096 . . 100 VAL HG21 . 18523 1
1114 . 1 1 100 100 VAL HG22 H 1 0.875 0.003 . 1 . . 1096 . . 100 VAL HG22 . 18523 1
1115 . 1 1 100 100 VAL HG23 H 1 0.875 0.003 . 1 . . 1096 . . 100 VAL HG23 . 18523 1
1116 . 1 1 100 100 VAL C C 13 176.316 0.013 . 1 . . 440 . . 100 VAL C . 18523 1
1117 . 1 1 100 100 VAL CA C 13 64.154 0.03 . 1 . . 442 . . 100 VAL CA . 18523 1
1118 . 1 1 100 100 VAL CB C 13 32.405 0.053 . 1 . . 441 . . 100 VAL CB . 18523 1
1119 . 1 1 100 100 VAL CG1 C 13 21.355 0.015 . 1 . . 1098 . . 100 VAL CG1 . 18523 1
1120 . 1 1 100 100 VAL CG2 C 13 21.473 0.065 . 1 . . 1097 . . 100 VAL CG2 . 18523 1
1121 . 1 1 100 100 VAL N N 15 116.362 0.028 . 1 . . 217 . . 100 VAL N . 18523 1
1122 . 1 1 101 101 HIS H H 1 7.991 0.007 . 1 . . 175 . . 101 HIS H . 18523 1
1123 . 1 1 101 101 HIS HA H 1 4.773 0.005 . 1 . . 706 . . 101 HIS HA . 18523 1
1124 . 1 1 101 101 HIS HB2 H 1 3.193 0.003 . 1 . . 707 . . 101 HIS HB2 . 18523 1
1125 . 1 1 101 101 HIS HB3 H 1 3.362 0.004 . 1 . . 708 . . 101 HIS HB3 . 18523 1
1126 . 1 1 101 101 HIS C C 13 175.212 0.008 . 1 . . 446 . . 101 HIS C . 18523 1
1127 . 1 1 101 101 HIS CA C 13 55.786 0.027 . 1 . . 448 . . 101 HIS CA . 18523 1
1128 . 1 1 101 101 HIS CB C 13 29.160 0.029 . 1 . . 447 . . 101 HIS CB . 18523 1
1129 . 1 1 101 101 HIS N N 15 117.182 0.021 . 1 . . 176 . . 101 HIS N . 18523 1
1130 . 1 1 102 102 GLY H H 1 7.927 0.007 . 1 . . 223 . . 102 GLY H . 18523 1
1131 . 1 1 102 102 GLY HA2 H 1 3.935 0.004 . 1 . . 709 . . 102 GLY HA2 . 18523 1
1132 . 1 1 102 102 GLY HA3 H 1 4.051 0.015 . 1 . . 710 . . 102 GLY HA3 . 18523 1
1133 . 1 1 102 102 GLY C C 13 174.136 0.004 . 1 . . 450 . . 102 GLY C . 18523 1
1134 . 1 1 102 102 GLY CA C 13 45.883 0.046 . 1 . . 449 . . 102 GLY CA . 18523 1
1135 . 1 1 102 102 GLY N N 15 108.994 0.027 . 1 . . 224 . . 102 GLY N . 18523 1
1136 . 1 1 103 103 GLU H H 1 8.245 0.016 . 1 . . 233 . . 103 GLU H . 18523 1
1137 . 1 1 103 103 GLU HA H 1 4.293 0.004 . 1 . . 711 . . 103 GLU HA . 18523 1
1138 . 1 1 103 103 GLU HB2 H 1 1.885 0.004 . 1 . . 712 . . 103 GLU HB2 . 18523 1
1139 . 1 1 103 103 GLU HB3 H 1 2.023 0.005 . 1 . . 713 . . 103 GLU HB3 . 18523 1
1140 . 1 1 103 103 GLU HG2 H 1 2.230 0.004 . 1 . . 1155 . . 103 GLU HG2 . 18523 1
1141 . 1 1 103 103 GLU HG3 H 1 2.230 0.004 . 1 . . 1154 . . 103 GLU HG3 . 18523 1
1142 . 1 1 103 103 GLU C C 13 176.440 0.012 . 1 . . 452 . . 103 GLU C . 18523 1
1143 . 1 1 103 103 GLU CA C 13 56.601 0.05 . 1 . . 453 . . 103 GLU CA . 18523 1
1144 . 1 1 103 103 GLU CB C 13 30.710 0.072 . 1 . . 507 . . 103 GLU CB . 18523 1
1145 . 1 1 103 103 GLU CG C 13 36.298 0.007 . 1 . . 1153 . . 103 GLU CG . 18523 1
1146 . 1 1 103 103 GLU N N 15 120.312 0.023 . 1 . . 234 . . 103 GLU N . 18523 1
1147 . 1 1 104 104 GLU H H 1 8.281 0.011 . 1 . . 179 . . 104 GLU H . 18523 1
1148 . 1 1 104 104 GLU HA H 1 4.241 0.006 . 1 . . 714 . . 104 GLU HA . 18523 1
1149 . 1 1 104 104 GLU HB2 H 1 1.890 0.008 . 1 . . 715 . . 104 GLU HB2 . 18523 1
1150 . 1 1 104 104 GLU HB3 H 1 1.978 0.01 . 1 . . 716 . . 104 GLU HB3 . 18523 1
1151 . 1 1 104 104 GLU HG2 H 1 2.173 0.001 . 1 . . 1150 . . 104 GLU HG2 . 18523 1
1152 . 1 1 104 104 GLU HG3 H 1 2.220 0.003 . 1 . . 1151 . . 104 GLU HG3 . 18523 1
1153 . 1 1 104 104 GLU C C 13 175.801 0.01 . 1 . . 503 . . 104 GLU C . 18523 1
1154 . 1 1 104 104 GLU CA C 13 56.608 0.035 . 1 . . 504 . . 104 GLU CA . 18523 1
1155 . 1 1 104 104 GLU CB C 13 30.637 0.08 . 1 . . 451 . . 104 GLU CB . 18523 1
1156 . 1 1 104 104 GLU CG C 13 36.291 0.004 . 1 . . 1152 . . 104 GLU CG . 18523 1
1157 . 1 1 104 104 GLU N N 15 121.826 0.04 . 1 . . 180 . . 104 GLU N . 18523 1
1158 . 1 1 105 105 ASP H H 1 8.266 0.013 . 1 . . 218 . . 105 ASP H . 18523 1
1159 . 1 1 105 105 ASP HA H 1 4.877 0.004 . 1 . . 717 . . 105 ASP HA . 18523 1
1160 . 1 1 105 105 ASP HB2 H 1 2.578 0.006 . 1 . . 719 . . 105 ASP HB2 . 18523 1
1161 . 1 1 105 105 ASP HB3 H 1 2.770 0.008 . 1 . . 718 . . 105 ASP HB3 . 18523 1
1162 . 1 1 105 105 ASP C C 13 175.291 . . 1 . . 506 . . 105 ASP C . 18523 1
1163 . 1 1 105 105 ASP CA C 13 51.865 0.034 . 1 . . 1149 . . 105 ASP CA . 18523 1
1164 . 1 1 105 105 ASP CB C 13 41.769 0.019 . 1 . . 505 . . 105 ASP CB . 18523 1
1165 . 1 1 105 105 ASP N N 15 122.426 0.034 . 1 . . 219 . . 105 ASP N . 18523 1
1166 . 1 1 106 106 PRO HA H 1 4.461 0.037 . 1 . . 720 . . 106 PRO HA . 18523 1
1167 . 1 1 106 106 PRO HB2 H 1 2.004 0.007 . 1 . . 722 . . 106 PRO HB2 . 18523 1
1168 . 1 1 106 106 PRO HB3 H 1 2.289 0.004 . 1 . . 721 . . 106 PRO HB3 . 18523 1
1169 . 1 1 106 106 PRO HG2 H 1 1.968 0.01 . 1 . . 1102 . . 106 PRO HG2 . 18523 1
1170 . 1 1 106 106 PRO HG3 H 1 2.013 0.012 . 1 . . 1103 . . 106 PRO HG3 . 18523 1
1171 . 1 1 106 106 PRO HD2 H 1 3.873 0.003 . 1 . . 1100 . . 106 PRO HD2 . 18523 1
1172 . 1 1 106 106 PRO HD3 H 1 3.873 0.003 . 1 . . 1101 . . 106 PRO HD3 . 18523 1
1173 . 1 1 106 106 PRO C C 13 177.637 0.0 . 1 . . 468 . . 106 PRO C . 18523 1
1174 . 1 1 106 106 PRO CA C 13 64.134 0.031 . 1 . . 467 . . 106 PRO CA . 18523 1
1175 . 1 1 106 106 PRO CB C 13 32.390 0.05 . 1 . . 466 . . 106 PRO CB . 18523 1
1176 . 1 1 106 106 PRO CG C 13 27.189 0.003 . 1 . . 1104 . . 106 PRO CG . 18523 1
1177 . 1 1 106 106 PRO CD C 13 51.121 0.015 . 1 . . 1099 . . 106 PRO CD . 18523 1
1178 . 1 1 107 107 THR H H 1 8.294 0.005 . 1 . . 71 . . 107 THR H . 18523 1
1179 . 1 1 107 107 THR HA H 1 4.254 0.008 . 1 . . 723 . . 107 THR HA . 18523 1
1180 . 1 1 107 107 THR HB H 1 4.245 0.006 . 1 . . 527 . . 107 THR HB . 18523 1
1181 . 1 1 107 107 THR HG21 H 1 1.212 0.009 . 1 . . 1105 . . 107 THR HG21 . 18523 1
1182 . 1 1 107 107 THR HG22 H 1 1.212 0.009 . 1 . . 1105 . . 107 THR HG22 . 18523 1
1183 . 1 1 107 107 THR HG23 H 1 1.212 0.009 . 1 . . 1105 . . 107 THR HG23 . 18523 1
1184 . 1 1 107 107 THR C C 13 174.911 0.01 . 1 . . 463 . . 107 THR C . 18523 1
1185 . 1 1 107 107 THR CA C 13 63.014 0.048 . 1 . . 459 . . 107 THR CA . 18523 1
1186 . 1 1 107 107 THR CB C 13 69.697 0.028 . 1 . . 460 . . 107 THR CB . 18523 1
1187 . 1 1 107 107 THR CG2 C 13 21.952 0.01 . 1 . . 1106 . . 107 THR CG2 . 18523 1
1188 . 1 1 107 107 THR N N 15 111.794 0.034 . 1 . . 72 . . 107 THR N . 18523 1
1189 . 1 1 108 108 LYS H H 1 7.674 0.003 . 1 . . 85 . . 108 LYS H . 18523 1
1190 . 1 1 108 108 LYS HA H 1 4.322 0.004 . 1 . . 724 . . 108 LYS HA . 18523 1
1191 . 1 1 108 108 LYS HB2 H 1 1.728 0.005 . 1 . . 725 . . 108 LYS HB2 . 18523 1
1192 . 1 1 108 108 LYS HB3 H 1 1.892 0.006 . 1 . . 726 . . 108 LYS HB3 . 18523 1
1193 . 1 1 108 108 LYS HG2 H 1 1.344 0.022 . 1 . . 1166 . . 108 LYS HG2 . 18523 1
1194 . 1 1 108 108 LYS HG3 H 1 1.401 0.013 . 1 . . 1167 . . 108 LYS HG3 . 18523 1
1195 . 1 1 108 108 LYS HD2 H 1 1.652 0.007 . 1 . . 1168 . . 108 LYS HD2 . 18523 1
1196 . 1 1 108 108 LYS HD3 H 1 1.642 . . 1 . . 1171 . . 108 LYS HD3 . 18523 1
1197 . 1 1 108 108 LYS HE2 H 1 2.976 0.003 . 1 . . 1169 . . 108 LYS HE2 . 18523 1
1198 . 1 1 108 108 LYS HE3 H 1 2.976 0.003 . 1 . . 1170 . . 108 LYS HE3 . 18523 1
1199 . 1 1 108 108 LYS C C 13 175.415 0.002 . 1 . . 457 . . 108 LYS C . 18523 1
1200 . 1 1 108 108 LYS CA C 13 56.407 0.05 . 1 . . 469 . . 108 LYS CA . 18523 1
1201 . 1 1 108 108 LYS CB C 13 33.092 0.056 . 1 . . 458 . . 108 LYS CB . 18523 1
1202 . 1 1 108 108 LYS N N 15 122.991 0.033 . 1 . . 86 . . 108 LYS N . 18523 1
1203 . 1 1 109 109 LYS H H 1 7.577 0.002 . 1 . . 461 . . 109 LYS H . 18523 1
1204 . 1 1 109 109 LYS HA H 1 4.122 0.004 . 1 . . 729 . . 109 LYS HA . 18523 1
1205 . 1 1 109 109 LYS HB2 H 1 1.667 0.004 . 1 . . 727 . . 109 LYS HB2 . 18523 1
1206 . 1 1 109 109 LYS HB3 H 1 1.794 0.004 . 1 . . 728 . . 109 LYS HB3 . 18523 1
1207 . 1 1 109 109 LYS HG2 H 1 1.361 0.003 . 1 . . 1159 . . 109 LYS HG2 . 18523 1
1208 . 1 1 109 109 LYS HG3 H 1 1.361 0.003 . 1 . . 1160 . . 109 LYS HG3 . 18523 1
1209 . 1 1 109 109 LYS HD2 H 1 1.628 0.017 . 1 . . 1161 . . 109 LYS HD2 . 18523 1
1210 . 1 1 109 109 LYS HD3 H 1 1.626 0.018 . 1 . . 1162 . . 109 LYS HD3 . 18523 1
1211 . 1 1 109 109 LYS HE2 H 1 2.959 0.012 . 1 . . 1157 . . 109 LYS HE2 . 18523 1
1212 . 1 1 109 109 LYS HE3 H 1 2.959 0.012 . 1 . . 1158 . . 109 LYS HE3 . 18523 1
1213 . 1 1 109 109 LYS C C 13 181.190 . . 1 . . 465 . . 109 LYS C . 18523 1
1214 . 1 1 109 109 LYS CA C 13 57.857 0.026 . 1 . . 1156 . . 109 LYS CA . 18523 1
1215 . 1 1 109 109 LYS CB C 13 33.944 0.073 . 1 . . 464 . . 109 LYS CB . 18523 1
1216 . 1 1 109 109 LYS CG C 13 24.911 0.083 . 1 . . 1163 . . 109 LYS CG . 18523 1
1217 . 1 1 109 109 LYS CD C 13 29.279 0.035 . 1 . . 1164 . . 109 LYS CD . 18523 1
1218 . 1 1 109 109 LYS CE C 13 42.512 0.016 . 1 . . 1165 . . 109 LYS CE . 18523 1
1219 . 1 1 109 109 LYS N N 15 127.298 0.034 . 1 . . 462 . . 109 LYS N . 18523 1
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