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 27085
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $condition1
_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 $NTD-SaHPF isotropic 27085 1
2 '2D 1H-13C HSQC/HMQC' 1 $NTD-SaHPF isotropic 27085 1
4 '3D HNCA' 1 $NTD-SaHPF isotropic 27085 1
5 '3D CBCA(CO)NH' 1 $NTD-SaHPF isotropic 27085 1
6 '3D HNCACB' 1 $NTD-SaHPF isotropic 27085 1
7 '3D HNCO' 1 $NTD-SaHPF isotropic 27085 1
8 'HN(CA)CO (H[N[ca[CO]]])' 1 $NTD-SaHPF isotropic 27085 1
9 'CC(CO)NH (C_coNH.relayed)' 1 $NTD-SaHPF isotropic 27085 1
10 '3D H(CCO)NH' 1 $NTD-SaHPF isotropic 27085 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $CcpNmr_Analysis . . 27085 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 MET HA H 1 4.239 0.002 . 1 . . 817 . . 1 MET HA . 27085 1
2 . 1 1 1 1 MET HB2 H 1 2.185 0.002 . 1 . . 818 . . 1 MET HB2 . 27085 1
3 . 1 1 1 1 MET HG2 H 1 2.585 . . 1 . . 819 . . 1 MET HG2 . 27085 1
4 . 1 1 1 1 MET C C 13 172.188 0.006 . 1 . . 486 . . 1 MET C . 27085 1
5 . 1 1 1 1 MET CA C 13 55.997 0.022 . 1 . . 487 . . 1 MET CA . 27085 1
6 . 1 1 1 1 MET CB C 13 34.280 0.023 . 1 . . 488 . . 1 MET CB . 27085 1
7 . 1 1 1 1 MET CG C 13 31.964 0.006 . 1 . . 808 . . 1 MET CG . 27085 1
8 . 1 1 2 2 ILE H H 1 8.797 0.002 . 1 . . 65 . . 2 ILE H . 27085 1
9 . 1 1 2 2 ILE HA H 1 4.323 0.006 . 1 . . 820 . . 2 ILE HA . 27085 1
10 . 1 1 2 2 ILE HB H 1 1.507 0.01 . 1 . . 821 . . 2 ILE HB . 27085 1
11 . 1 1 2 2 ILE HG21 H 1 0.212 0.002 . 1 . . 822 . . 2 ILE HG21 . 27085 1
12 . 1 1 2 2 ILE HG22 H 1 0.212 0.002 . 1 . . 822 . . 2 ILE HG22 . 27085 1
13 . 1 1 2 2 ILE HG23 H 1 0.212 0.002 . 1 . . 822 . . 2 ILE HG23 . 27085 1
14 . 1 1 2 2 ILE HD11 H 1 0.674 0.007 . 1 . . 823 . . 2 ILE HD11 . 27085 1
15 . 1 1 2 2 ILE HD12 H 1 0.674 0.007 . 1 . . 823 . . 2 ILE HD12 . 27085 1
16 . 1 1 2 2 ILE HD13 H 1 0.674 0.007 . 1 . . 823 . . 2 ILE HD13 . 27085 1
17 . 1 1 2 2 ILE C C 13 174.103 0.005 . 1 . . 568 . . 2 ILE C . 27085 1
18 . 1 1 2 2 ILE CA C 13 61.752 0.056 . 1 . . 569 . . 2 ILE CA . 27085 1
19 . 1 1 2 2 ILE CB C 13 40.521 0.032 . 1 . . 299 . . 2 ILE CB . 27085 1
20 . 1 1 2 2 ILE CG1 C 13 28.951 . . 1 . . 805 . . 2 ILE CG1 . 27085 1
21 . 1 1 2 2 ILE CG2 C 13 18.239 0.027 . 1 . . 806 . . 2 ILE CG2 . 27085 1
22 . 1 1 2 2 ILE CD1 C 13 15.272 0.007 . 1 . . 807 . . 2 ILE CD1 . 27085 1
23 . 1 1 2 2 ILE N N 15 124.591 0.045 . 1 . . 66 . . 2 ILE N . 27085 1
24 . 1 1 3 3 ARG H H 1 8.131 0.003 . 1 . . 146 . . 3 ARG H . 27085 1
25 . 1 1 3 3 ARG HA H 1 4.534 0.013 . 1 . . 824 . . 3 ARG HA . 27085 1
26 . 1 1 3 3 ARG HB2 H 1 1.747 0.002 . 2 . . 825 . . 3 ARG HB2 . 27085 1
27 . 1 1 3 3 ARG HB3 H 1 1.672 0.003 . 2 . . 1133 . . 3 ARG HB3 . 27085 1
28 . 1 1 3 3 ARG HG2 H 1 1.528 0.001 . 1 . . 1134 . . 3 ARG HG2 . 27085 1
29 . 1 1 3 3 ARG C C 13 174.117 . . 1 . . 679 . . 3 ARG C . 27085 1
30 . 1 1 3 3 ARG CA C 13 55.530 0.042 . 1 . . 344 . . 3 ARG CA . 27085 1
31 . 1 1 3 3 ARG CB C 13 33.069 0.023 . 1 . . 343 . . 3 ARG CB . 27085 1
32 . 1 1 3 3 ARG CG C 13 28.763 0.002 . 1 . . 804 . . 3 ARG CG . 27085 1
33 . 1 1 3 3 ARG CD C 13 44.408 . . 1 . . 803 . . 3 ARG CD . 27085 1
34 . 1 1 3 3 ARG N N 15 126.559 0.039 . 1 . . 147 . . 3 ARG N . 27085 1
35 . 1 1 4 4 PHE H H 1 8.910 0.002 . 1 . . 210 . . 4 PHE H . 27085 1
36 . 1 1 4 4 PHE HA H 1 4.940 0.005 . 1 . . 826 . . 4 PHE HA . 27085 1
37 . 1 1 4 4 PHE HB2 H 1 2.562 0.004 . 2 . . 827 . . 4 PHE HB2 . 27085 1
38 . 1 1 4 4 PHE HB3 H 1 3.046 0.005 . 2 . . 828 . . 4 PHE HB3 . 27085 1
39 . 1 1 4 4 PHE HD1 H 1 7.062 0.002 . 1 . . 1129 . . 4 PHE HD1 . 27085 1
40 . 1 1 4 4 PHE HD2 H 1 7.062 0.002 . 1 . . 1129 . . 4 PHE HD2 . 27085 1
41 . 1 1 4 4 PHE C C 13 175.758 0.004 . 1 . . 621 . . 4 PHE C . 27085 1
42 . 1 1 4 4 PHE CA C 13 58.920 0.044 . 1 . . 379 . . 4 PHE CA . 27085 1
43 . 1 1 4 4 PHE CB C 13 42.369 0.105 . 1 . . 609 . . 4 PHE CB . 27085 1
44 . 1 1 4 4 PHE N N 15 120.951 0.048 . 1 . . 211 . . 4 PHE N . 27085 1
45 . 1 1 5 5 GLU H H 1 8.788 0.002 . 1 . . 193 . . 5 GLU H . 27085 1
46 . 1 1 5 5 GLU HA H 1 4.575 0.002 . 1 . . 829 . . 5 GLU HA . 27085 1
47 . 1 1 5 5 GLU HB2 H 1 1.730 0.041 . 2 . . 830 . . 5 GLU HB2 . 27085 1
48 . 1 1 5 5 GLU HB3 H 1 1.944 0.017 . 2 . . 831 . . 5 GLU HB3 . 27085 1
49 . 1 1 5 5 GLU HG2 H 1 2.006 0.007 . 2 . . 1135 . . 5 GLU HG2 . 27085 1
50 . 1 1 5 5 GLU HG3 H 1 2.364 . . 2 . . 1136 . . 5 GLU HG3 . 27085 1
51 . 1 1 5 5 GLU C C 13 174.526 0.059 . 1 . . 610 . . 5 GLU C . 27085 1
52 . 1 1 5 5 GLU CA C 13 56.365 0.033 . 1 . . 373 . . 5 GLU CA . 27085 1
53 . 1 1 5 5 GLU CB C 13 31.806 0.013 . 1 . . 372 . . 5 GLU CB . 27085 1
54 . 1 1 5 5 GLU CG C 13 36.734 0.022 . 1 . . 802 . . 5 GLU CG . 27085 1
55 . 1 1 5 5 GLU N N 15 126.008 0.03 . 1 . . 194 . . 5 GLU N . 27085 1
56 . 1 1 6 6 ILE H H 1 8.603 0.002 . 1 . . 191 . . 6 ILE H . 27085 1
57 . 1 1 6 6 ILE HA H 1 4.909 0.007 . 1 . . 832 . . 6 ILE HA . 27085 1
58 . 1 1 6 6 ILE HB H 1 1.730 0.007 . 1 . . 833 . . 6 ILE HB . 27085 1
59 . 1 1 6 6 ILE HG21 H 1 0.713 0.017 . 1 . . 834 . . 6 ILE HG21 . 27085 1
60 . 1 1 6 6 ILE HG22 H 1 0.713 0.017 . 1 . . 834 . . 6 ILE HG22 . 27085 1
61 . 1 1 6 6 ILE HG23 H 1 0.713 0.017 . 1 . . 834 . . 6 ILE HG23 . 27085 1
62 . 1 1 6 6 ILE HD11 H 1 0.821 0.012 . 1 . . 1132 . . 6 ILE HD11 . 27085 1
63 . 1 1 6 6 ILE HD12 H 1 0.821 0.012 . 1 . . 1132 . . 6 ILE HD12 . 27085 1
64 . 1 1 6 6 ILE HD13 H 1 0.821 0.012 . 1 . . 1132 . . 6 ILE HD13 . 27085 1
65 . 1 1 6 6 ILE C C 13 174.660 0.014 . 1 . . 551 . . 6 ILE C . 27085 1
66 . 1 1 6 6 ILE CA C 13 61.347 0.062 . 1 . . 371 . . 6 ILE CA . 27085 1
67 . 1 1 6 6 ILE CB C 13 40.249 0.07 . 1 . . 370 . . 6 ILE CB . 27085 1
68 . 1 1 6 6 ILE CG1 C 13 28.661 . . 1 . . 799 . . 6 ILE CG1 . 27085 1
69 . 1 1 6 6 ILE CG2 C 13 18.784 0.004 . 1 . . 800 . . 6 ILE CG2 . 27085 1
70 . 1 1 6 6 ILE CD1 C 13 15.383 0.03 . 1 . . 801 . . 6 ILE CD1 . 27085 1
71 . 1 1 6 6 ILE N N 15 125.046 0.021 . 1 . . 192 . . 6 ILE N . 27085 1
72 . 1 1 7 7 HIS H H 1 9.141 0.003 . 1 . . 130 . . 7 HIS H . 27085 1
73 . 1 1 7 7 HIS HA H 1 4.973 0.012 . 1 . . 836 . . 7 HIS HA . 27085 1
74 . 1 1 7 7 HIS HB2 H 1 3.228 0.012 . 2 . . 837 . . 7 HIS HB2 . 27085 1
75 . 1 1 7 7 HIS HB3 H 1 3.060 0.009 . 2 . . 838 . . 7 HIS HB3 . 27085 1
76 . 1 1 7 7 HIS C C 13 173.472 0.441 . 1 . . 552 . . 7 HIS C . 27085 1
77 . 1 1 7 7 HIS CA C 13 55.829 0.038 . 1 . . 331 . . 7 HIS CA . 27085 1
78 . 1 1 7 7 HIS CB C 13 33.845 0.047 . 1 . . 330 . . 7 HIS CB . 27085 1
79 . 1 1 7 7 HIS N N 15 127.227 0.064 . 1 . . 131 . . 7 HIS N . 27085 1
80 . 1 1 8 8 GLY H H 1 8.680 0.002 . 1 . . 11 . . 8 GLY H . 27085 1
81 . 1 1 8 8 GLY HA2 H 1 3.759 0.001 . 2 . . 421 . . 8 GLY HA2 . 27085 1
82 . 1 1 8 8 GLY HA3 H 1 4.690 0.019 . 2 . . 839 . . 8 GLY HA3 . 27085 1
83 . 1 1 8 8 GLY C C 13 172.679 0.014 . 1 . . 425 . . 8 GLY C . 27085 1
84 . 1 1 8 8 GLY CA C 13 45.650 0.027 . 1 . . 271 . . 8 GLY CA . 27085 1
85 . 1 1 8 8 GLY N N 15 111.497 0.014 . 1 . . 12 . . 8 GLY N . 27085 1
86 . 1 1 9 9 ASP H H 1 8.671 0.002 . 1 . . 13 . . 9 ASP H . 27085 1
87 . 1 1 9 9 ASP HA H 1 4.698 0.001 . 1 . . 840 . . 9 ASP HA . 27085 1
88 . 1 1 9 9 ASP HB2 H 1 2.756 0.003 . 2 . . 841 . . 9 ASP HB2 . 27085 1
89 . 1 1 9 9 ASP HB3 H 1 2.559 0.002 . 2 . . 842 . . 9 ASP HB3 . 27085 1
90 . 1 1 9 9 ASP C C 13 175.963 0.013 . 1 . . 428 . . 9 ASP C . 27085 1
91 . 1 1 9 9 ASP CA C 13 55.687 0.004 . 1 . . 273 . . 9 ASP CA . 27085 1
92 . 1 1 9 9 ASP CB C 13 42.947 0.022 . 1 . . 272 . . 9 ASP CB . 27085 1
93 . 1 1 9 9 ASP N N 15 124.202 0.034 . 1 . . 14 . . 9 ASP N . 27085 1
94 . 1 1 10 10 ASN H H 1 8.436 0.003 . 1 . . 107 . . 10 ASN H . 27085 1
95 . 1 1 10 10 ASN HA H 1 4.391 0.006 . 1 . . 843 . . 10 ASN HA . 27085 1
96 . 1 1 10 10 ASN HB2 H 1 2.875 . . 2 . . 844 . . 10 ASN HB2 . 27085 1
97 . 1 1 10 10 ASN HB3 H 1 2.952 0.013 . 2 . . 845 . . 10 ASN HB3 . 27085 1
98 . 1 1 10 10 ASN C C 13 174.246 0.0 . 1 . . 530 . . 10 ASN C . 27085 1
99 . 1 1 10 10 ASN CA C 13 55.087 0.027 . 1 . . 316 . . 10 ASN CA . 27085 1
100 . 1 1 10 10 ASN CB C 13 38.527 0.005 . 1 . . 315 . . 10 ASN CB . 27085 1
101 . 1 1 10 10 ASN N N 15 118.366 0.036 . 1 . . 108 . . 10 ASN N . 27085 1
102 . 1 1 11 11 LEU H H 1 7.572 0.003 . 1 . . 43 . . 11 LEU H . 27085 1
103 . 1 1 11 11 LEU HA H 1 4.405 0.004 . 1 . . 846 . . 11 LEU HA . 27085 1
104 . 1 1 11 11 LEU HB2 H 1 1.506 . . 2 . . 847 . . 11 LEU HB2 . 27085 1
105 . 1 1 11 11 LEU HB3 H 1 1.678 . . 2 . . 848 . . 11 LEU HB3 . 27085 1
106 . 1 1 11 11 LEU C C 13 175.958 0.007 . 1 . . 469 . . 11 LEU C . 27085 1
107 . 1 1 11 11 LEU CA C 13 56.540 0.046 . 1 . . 292 . . 11 LEU CA . 27085 1
108 . 1 1 11 11 LEU CB C 13 43.862 0.036 . 1 . . 293 . . 11 LEU CB . 27085 1
109 . 1 1 11 11 LEU CG C 13 26.002 . . 1 . . 798 . . 11 LEU CG . 27085 1
110 . 1 1 11 11 LEU N N 15 118.120 0.029 . 1 . . 44 . . 11 LEU N . 27085 1
111 . 1 1 12 12 THR H H 1 8.168 0.003 . 1 . . 164 . . 12 THR H . 27085 1
112 . 1 1 12 12 THR HA H 1 4.179 0.006 . 1 . . 880 . . 12 THR HA . 27085 1
113 . 1 1 12 12 THR HB H 1 3.969 0.001 . 1 . . 416 . . 12 THR HB . 27085 1
114 . 1 1 12 12 THR HG21 H 1 1.124 . . 1 . . 881 . . 12 THR HG1 . 27085 1
115 . 1 1 12 12 THR HG22 H 1 1.124 . . 1 . . 881 . . 12 THR HG1 . 27085 1
116 . 1 1 12 12 THR HG23 H 1 1.124 . . 1 . . 881 . . 12 THR HG1 . 27085 1
117 . 1 1 12 12 THR C C 13 174.163 . . 1 . . 587 . . 12 THR C . 27085 1
118 . 1 1 12 12 THR CA C 13 64.014 0.037 . 1 . . 356 . . 12 THR CA . 27085 1
119 . 1 1 12 12 THR CB C 13 70.430 0.028 . 1 . . 641 . . 12 THR CB . 27085 1
120 . 1 1 12 12 THR CG2 C 13 22.887 0.004 . 1 . . 797 . . 12 THR CG2 . 27085 1
121 . 1 1 12 12 THR N N 15 117.696 0.074 . 1 . . 165 . . 12 THR N . 27085 1
122 . 1 1 13 13 ILE H H 1 8.536 0.005 . 1 . . 228 . . 13 ILE H . 27085 1
123 . 1 1 13 13 ILE HA H 1 3.982 0.007 . 1 . . 850 . . 13 ILE HA . 27085 1
124 . 1 1 13 13 ILE HB H 1 2.123 0.011 . 1 . . 851 . . 13 ILE HB . 27085 1
125 . 1 1 13 13 ILE HG12 H 1 1.282 0.004 . 2 . . 854 . . 13 ILE HG12 . 27085 1
126 . 1 1 13 13 ILE HG13 H 1 1.410 . . 2 . . 855 . . 13 ILE HG13 . 27085 1
127 . 1 1 13 13 ILE HG21 H 1 0.759 0.0 . 1 . . 852 . . 13 ILE HG21 . 27085 1
128 . 1 1 13 13 ILE HG22 H 1 0.759 0.0 . 1 . . 852 . . 13 ILE HG22 . 27085 1
129 . 1 1 13 13 ILE HG23 H 1 0.759 0.0 . 1 . . 852 . . 13 ILE HG23 . 27085 1
130 . 1 1 13 13 ILE HD11 H 1 0.508 . . 1 . . 853 . . 13 ILE HD11 . 27085 1
131 . 1 1 13 13 ILE HD12 H 1 0.508 . . 1 . . 853 . . 13 ILE HD12 . 27085 1
132 . 1 1 13 13 ILE HD13 H 1 0.508 . . 1 . . 853 . . 13 ILE HD13 . 27085 1
133 . 1 1 13 13 ILE C C 13 175.264 0.013 . 1 . . 462 . . 13 ILE C . 27085 1
134 . 1 1 13 13 ILE CA C 13 60.127 0.061 . 1 . . 464 . . 13 ILE CA . 27085 1
135 . 1 1 13 13 ILE CB C 13 35.512 0.012 . 1 . . 463 . . 13 ILE CB . 27085 1
136 . 1 1 13 13 ILE CG1 C 13 26.853 0.03 . 1 . . 794 . . 13 ILE CG1 . 27085 1
137 . 1 1 13 13 ILE CG2 C 13 18.228 0.003 . 1 . . 795 . . 13 ILE CG2 . 27085 1
138 . 1 1 13 13 ILE CD1 C 13 10.573 0.013 . 1 . . 796 . . 13 ILE CD1 . 27085 1
139 . 1 1 13 13 ILE N N 15 125.390 0.056 . 1 . . 229 . . 13 ILE N . 27085 1
140 . 1 1 14 14 THR H H 1 7.000 0.002 . 1 . . 41 . . 14 THR H . 27085 1
141 . 1 1 14 14 THR HA H 1 4.419 0.002 . 1 . . 1137 . . 14 THR HA . 27085 1
142 . 1 1 14 14 THR HB H 1 4.090 . . 1 . . 856 . . 14 THR HB . 27085 1
143 . 1 1 14 14 THR HG21 H 1 1.222 0.002 . 1 . . 858 . . 14 THR HG21 . 27085 1
144 . 1 1 14 14 THR HG22 H 1 1.222 0.002 . 1 . . 858 . . 14 THR HG22 . 27085 1
145 . 1 1 14 14 THR HG23 H 1 1.222 0.002 . 1 . . 858 . . 14 THR HG23 . 27085 1
146 . 1 1 14 14 THR C C 13 174.871 0.016 . 1 . . 465 . . 14 THR C . 27085 1
147 . 1 1 14 14 THR CA C 13 61.486 0.031 . 1 . . 290 . . 14 THR CA . 27085 1
148 . 1 1 14 14 THR CB C 13 71.741 0.043 . 1 . . 291 . . 14 THR CB . 27085 1
149 . 1 1 14 14 THR CG2 C 13 23.344 0.01 . 1 . . 793 . . 14 THR CG2 . 27085 1
150 . 1 1 14 14 THR N N 15 117.801 0.039 . 1 . . 42 . . 14 THR N . 27085 1
151 . 1 1 15 15 ASP H H 1 8.825 0.014 . 1 . . 230 . . 15 ASP H . 27085 1
152 . 1 1 15 15 ASP HA H 1 4.304 . . 1 . . 859 . . 15 ASP HA . 27085 1
153 . 1 1 15 15 ASP HB2 H 1 2.760 0.001 . 2 . . 1138 . . 15 ASP HB2 . 27085 1
154 . 1 1 15 15 ASP HB3 H 1 3.146 0.001 . 2 . . 1139 . . 15 ASP HB3 . 27085 1
155 . 1 1 15 15 ASP C C 13 177.845 0.011 . 1 . . 682 . . 15 ASP C . 27085 1
156 . 1 1 15 15 ASP CA C 13 58.762 0.058 . 1 . . 681 . . 15 ASP CA . 27085 1
157 . 1 1 15 15 ASP CB C 13 40.888 0.03 . 1 . . 680 . . 15 ASP CB . 27085 1
158 . 1 1 15 15 ASP N N 15 121.303 0.088 . 1 . . 231 . . 15 ASP N . 27085 1
159 . 1 1 16 16 ALA H H 1 8.155 0.007 . 1 . . 103 . . 16 ALA H . 27085 1
160 . 1 1 16 16 ALA HA H 1 4.172 0.01 . 1 . . 861 . . 16 ALA HA . 27085 1
161 . 1 1 16 16 ALA HB1 H 1 1.470 0.004 . 1 . . 862 . . 16 ALA HB1 . 27085 1
162 . 1 1 16 16 ALA HB2 H 1 1.470 0.004 . 1 . . 862 . . 16 ALA HB2 . 27085 1
163 . 1 1 16 16 ALA HB3 H 1 1.470 0.004 . 1 . . 862 . . 16 ALA HB3 . 27085 1
164 . 1 1 16 16 ALA C C 13 180.737 0.006 . 1 . . 528 . . 16 ALA C . 27085 1
165 . 1 1 16 16 ALA CA C 13 56.312 0.034 . 1 . . 460 . . 16 ALA CA . 27085 1
166 . 1 1 16 16 ALA CB C 13 19.306 0.044 . 1 . . 459 . . 16 ALA CB . 27085 1
167 . 1 1 16 16 ALA N N 15 120.328 0.05 . 1 . . 104 . . 16 ALA N . 27085 1
168 . 1 1 17 17 ILE H H 1 7.367 0.003 . 1 . . 39 . . 17 ILE H . 27085 1
169 . 1 1 17 17 ILE HA H 1 3.760 0.004 . 1 . . 863 . . 17 ILE HA . 27085 1
170 . 1 1 17 17 ILE HB H 1 1.810 0.005 . 1 . . 864 . . 17 ILE HB . 27085 1
171 . 1 1 17 17 ILE HG12 H 1 0.950 0.009 . 1 . . 1140 . . 17 ILE HG12 . 27085 1
172 . 1 1 17 17 ILE HG21 H 1 0.772 0.01 . 1 . . 865 . . 17 ILE HG21 . 27085 1
173 . 1 1 17 17 ILE HG22 H 1 0.772 0.01 . 1 . . 865 . . 17 ILE HG22 . 27085 1
174 . 1 1 17 17 ILE HG23 H 1 0.772 0.01 . 1 . . 865 . . 17 ILE HG23 . 27085 1
175 . 1 1 17 17 ILE HD11 H 1 0.644 0.005 . 1 . . 866 . . 17 ILE HD11 . 27085 1
176 . 1 1 17 17 ILE HD12 H 1 0.644 0.005 . 1 . . 866 . . 17 ILE HD12 . 27085 1
177 . 1 1 17 17 ILE HD13 H 1 0.644 0.005 . 1 . . 866 . . 17 ILE HD13 . 27085 1
178 . 1 1 17 17 ILE C C 13 177.312 0.001 . 1 . . 541 . . 17 ILE C . 27085 1
179 . 1 1 17 17 ILE CA C 13 64.957 0.035 . 1 . . 542 . . 17 ILE CA . 27085 1
180 . 1 1 17 17 ILE CB C 13 38.763 0.092 . 1 . . 289 . . 17 ILE CB . 27085 1
181 . 1 1 17 17 ILE CG1 C 13 29.595 0.042 . 1 . . 791 . . 17 ILE CG1 . 27085 1
182 . 1 1 17 17 ILE CG2 C 13 18.699 0.0 . 1 . . 790 . . 17 ILE CG2 . 27085 1
183 . 1 1 17 17 ILE CD1 C 13 13.673 0.028 . 1 . . 792 . . 17 ILE CD1 . 27085 1
184 . 1 1 17 17 ILE N N 15 119.060 0.041 . 1 . . 40 . . 17 ILE N . 27085 1
185 . 1 1 18 18 ARG H H 1 8.338 0.001 . 1 . . 122 . . 18 ARG H . 27085 1
186 . 1 1 18 18 ARG HA H 1 3.565 0.006 . 1 . . 867 . . 18 ARG HA . 27085 1
187 . 1 1 18 18 ARG HB2 H 1 1.860 . . 2 . . 868 . . 18 ARG HB2 . 27085 1
188 . 1 1 18 18 ARG HB3 H 1 1.725 . . 2 . . 869 . . 18 ARG HB3 . 27085 1
189 . 1 1 18 18 ARG HD2 H 1 3.158 . . 2 . . 870 . . 18 ARG HD2 . 27085 1
190 . 1 1 18 18 ARG HD3 H 1 3.270 . . 2 . . 871 . . 18 ARG HD3 . 27085 1
191 . 1 1 18 18 ARG C C 13 177.803 0.006 . 1 . . 534 . . 18 ARG C . 27085 1
192 . 1 1 18 18 ARG CA C 13 61.540 0.033 . 1 . . 325 . . 18 ARG CA . 27085 1
193 . 1 1 18 18 ARG CB C 13 30.720 0.016 . 1 . . 323 . . 18 ARG CB . 27085 1
194 . 1 1 18 18 ARG CG C 13 28.992 . . 1 . . 789 . . 18 ARG CG . 27085 1
195 . 1 1 18 18 ARG CD C 13 43.984 0.04 . 1 . . 788 . . 18 ARG CD . 27085 1
196 . 1 1 18 18 ARG N N 15 120.652 0.049 . 1 . . 123 . . 18 ARG N . 27085 1
197 . 1 1 19 19 ASN H H 1 8.611 0.003 . 1 . . 113 . . 19 ASN H . 27085 1
198 . 1 1 19 19 ASN HA H 1 4.312 0.004 . 1 . . 872 . . 19 ASN HA . 27085 1
199 . 1 1 19 19 ASN HB2 H 1 2.782 . . 2 . . 873 . . 19 ASN HB2 . 27085 1
200 . 1 1 19 19 ASN HB3 H 1 2.846 0.011 . 2 . . 874 . . 19 ASN HB3 . 27085 1
201 . 1 1 19 19 ASN C C 13 176.941 0.006 . 1 . . 622 . . 19 ASN C . 27085 1
202 . 1 1 19 19 ASN CA C 13 57.089 0.041 . 1 . . 319 . . 19 ASN CA . 27085 1
203 . 1 1 19 19 ASN CB C 13 39.338 0.042 . 1 . . 318 . . 19 ASN CB . 27085 1
204 . 1 1 19 19 ASN N N 15 115.287 0.039 . 1 . . 114 . . 19 ASN N . 27085 1
205 . 1 1 20 20 TYR H H 1 7.839 0.007 . 1 . . 212 . . 20 TYR H . 27085 1
206 . 1 1 20 20 TYR HA H 1 4.115 0.014 . 1 . . 875 . . 20 TYR HA . 27085 1
207 . 1 1 20 20 TYR HB2 H 1 3.025 0.007 . 2 . . 876 . . 20 TYR HB2 . 27085 1
208 . 1 1 20 20 TYR HB3 H 1 3.276 0.002 . 2 . . 882 . . 20 TYR HB3 . 27085 1
209 . 1 1 20 20 TYR C C 13 177.548 0.004 . 1 . . 624 . . 20 TYR C . 27085 1
210 . 1 1 20 20 TYR CA C 13 63.399 0.053 . 1 . . 380 . . 20 TYR CA . 27085 1
211 . 1 1 20 20 TYR CB C 13 40.366 0.019 . 1 . . 612 . . 20 TYR CB . 27085 1
212 . 1 1 20 20 TYR N N 15 121.783 0.041 . 1 . . 213 . . 20 TYR N . 27085 1
213 . 1 1 21 21 ILE H H 1 8.153 0.002 . 1 . . 198 . . 21 ILE H . 27085 1
214 . 1 1 21 21 ILE HA H 1 3.274 0.003 . 1 . . 411 . . 21 ILE HA . 27085 1
215 . 1 1 21 21 ILE HB H 1 1.798 0.006 . 1 . . 877 . . 21 ILE HB . 27085 1
216 . 1 1 21 21 ILE C C 13 177.067 0.017 . 1 . . 613 . . 21 ILE C . 27085 1
217 . 1 1 21 21 ILE CA C 13 67.528 0.037 . 1 . . 375 . . 21 ILE CA . 27085 1
218 . 1 1 21 21 ILE CB C 13 39.022 0.035 . 1 . . 374 . . 21 ILE CB . 27085 1
219 . 1 1 21 21 ILE CG1 C 13 31.376 . . 1 . . 787 . . 21 ILE CG1 . 27085 1
220 . 1 1 21 21 ILE CG2 C 13 18.396 . . 1 . . 786 . . 21 ILE CG2 . 27085 1
221 . 1 1 21 21 ILE N N 15 117.217 0.037 . 1 . . 199 . . 21 ILE N . 27085 1
222 . 1 1 22 22 GLU H H 1 7.885 0.003 . 1 . . 248 . . 22 GLU H . 27085 1
223 . 1 1 22 22 GLU HA H 1 2.928 0.003 . 1 . . 878 . . 22 GLU HA . 27085 1
224 . 1 1 22 22 GLU HB2 H 1 1.761 . . 1 . . 879 . . 22 GLU HB2 . 27085 1
225 . 1 1 22 22 GLU C C 13 179.940 0.006 . 1 . . 516 . . 22 GLU C . 27085 1
226 . 1 1 22 22 GLU CA C 13 60.287 0.038 . 1 . . 518 . . 22 GLU CA . 27085 1
227 . 1 1 22 22 GLU CB C 13 30.025 0.084 . 1 . . 517 . . 22 GLU CB . 27085 1
228 . 1 1 22 22 GLU CG C 13 37.486 . . 1 . . 785 . . 22 GLU CG . 27085 1
229 . 1 1 22 22 GLU N N 15 117.085 0.027 . 1 . . 249 . . 22 GLU N . 27085 1
230 . 1 1 23 23 GLU H H 1 8.172 0.003 . 1 . . 92 . . 23 GLU H . 27085 1
231 . 1 1 23 23 GLU HA H 1 3.884 0.0 . 1 . . 883 . . 23 GLU HA . 27085 1
232 . 1 1 23 23 GLU HB2 H 1 2.035 0.001 . 2 . . 884 . . 23 GLU HB2 . 27085 1
233 . 1 1 23 23 GLU HB3 H 1 1.861 0.009 . 2 . . 885 . . 23 GLU HB3 . 27085 1
234 . 1 1 23 23 GLU HG2 H 1 2.236 0.004 . 1 . . 886 . . 23 GLU HG2 . 27085 1
235 . 1 1 23 23 GLU C C 13 178.321 0.009 . 1 . . 555 . . 23 GLU C . 27085 1
236 . 1 1 23 23 GLU CA C 13 59.953 0.043 . 1 . . 312 . . 23 GLU CA . 27085 1
237 . 1 1 23 23 GLU CB C 13 30.699 0.039 . 1 . . 313 . . 23 GLU CB . 27085 1
238 . 1 1 23 23 GLU CG C 13 37.308 0.007 . 1 . . 784 . . 23 GLU CG . 27085 1
239 . 1 1 23 23 GLU N N 15 119.028 0.022 . 1 . . 93 . . 23 GLU N . 27085 1
240 . 1 1 24 24 LYS H H 1 7.902 0.004 . 1 . . 138 . . 24 LYS H . 27085 1
241 . 1 1 24 24 LYS HA H 1 4.030 0.007 . 1 . . 887 . . 24 LYS HA . 27085 1
242 . 1 1 24 24 LYS HB2 H 1 1.493 0.008 . 1 . . 888 . . 24 LYS HB2 . 27085 1
243 . 1 1 24 24 LYS C C 13 178.332 . . 1 . . 562 . . 24 LYS C . 27085 1
244 . 1 1 24 24 LYS CA C 13 58.393 0.048 . 1 . . 338 . . 24 LYS CA . 27085 1
245 . 1 1 24 24 LYS CB C 13 32.347 0.014 . 1 . . 337 . . 24 LYS CB . 27085 1
246 . 1 1 24 24 LYS CG C 13 24.943 . . 1 . . 783 . . 24 LYS CG . 27085 1
247 . 1 1 24 24 LYS CD C 13 28.741 . . 1 . . 782 . . 24 LYS CD . 27085 1
248 . 1 1 24 24 LYS N N 15 115.981 0.063 . 1 . . 139 . . 24 LYS N . 27085 1
249 . 1 1 25 25 ILE H H 1 8.274 0.006 . 1 . . 134 . . 25 ILE H . 27085 1
250 . 1 1 25 25 ILE HA H 1 4.091 0.001 . 1 . . 889 . . 25 ILE HA . 27085 1
251 . 1 1 25 25 ILE HB H 1 2.100 0.009 . 1 . . 890 . . 25 ILE HB . 27085 1
252 . 1 1 25 25 ILE HG21 H 1 0.997 0.001 . 1 . . 891 . . 25 ILE HG21 . 27085 1
253 . 1 1 25 25 ILE HG22 H 1 0.997 0.001 . 1 . . 891 . . 25 ILE HG22 . 27085 1
254 . 1 1 25 25 ILE HG23 H 1 0.997 0.001 . 1 . . 891 . . 25 ILE HG23 . 27085 1
255 . 1 1 25 25 ILE C C 13 178.134 0.006 . 1 . . 504 . . 25 ILE C . 27085 1
256 . 1 1 25 25 ILE CA C 13 63.514 0.038 . 1 . . 505 . . 25 ILE CA . 27085 1
257 . 1 1 25 25 ILE CB C 13 36.629 0.047 . 1 . . 334 . . 25 ILE CB . 27085 1
258 . 1 1 25 25 ILE CG1 C 13 29.987 . . 1 . . 779 . . 25 ILE CG1 . 27085 1
259 . 1 1 25 25 ILE CG2 C 13 18.549 0.014 . 1 . . 780 . . 25 ILE CG2 . 27085 1
260 . 1 1 25 25 ILE CD1 C 13 13.163 . . 1 . . 781 . . 25 ILE CD1 . 27085 1
261 . 1 1 25 25 ILE N N 15 117.799 0.038 . 1 . . 135 . . 25 ILE N . 27085 1
262 . 1 1 26 26 GLY H H 1 7.674 0.003 . 1 . . 79 . . 26 GLY H . 27085 1
263 . 1 1 26 26 GLY HA2 H 1 4.325 0.006 . 2 . . 892 . . 26 GLY HA2 . 27085 1
264 . 1 1 26 26 GLY HA3 H 1 3.952 0.005 . 2 . . 893 . . 26 GLY HA3 . 27085 1
265 . 1 1 26 26 GLY C C 13 176.148 0.004 . 1 . . 506 . . 26 GLY C . 27085 1
266 . 1 1 26 26 GLY CA C 13 48.164 0.029 . 1 . . 307 . . 26 GLY CA . 27085 1
267 . 1 1 26 26 GLY N N 15 106.213 0.029 . 1 . . 80 . . 26 GLY N . 27085 1
268 . 1 1 27 27 LYS H H 1 7.079 0.002 . 1 . . 37 . . 27 LYS H . 27085 1
269 . 1 1 27 27 LYS HA H 1 4.264 0.009 . 1 . . 894 . . 27 LYS HA . 27085 1
270 . 1 1 27 27 LYS HB2 H 1 1.949 . . 1 . . 895 . . 27 LYS HB2 . 27085 1
271 . 1 1 27 27 LYS HD2 H 1 1.719 0.007 . 1 . . 896 . . 27 LYS HD2 . 27085 1
272 . 1 1 27 27 LYS C C 13 178.749 0.003 . 1 . . 458 . . 27 LYS C . 27085 1
273 . 1 1 27 27 LYS CA C 13 58.848 0.033 . 1 . . 578 . . 27 LYS CA . 27085 1
274 . 1 1 27 27 LYS CB C 13 32.899 0.009 . 1 . . 288 . . 27 LYS CB . 27085 1
275 . 1 1 27 27 LYS CG C 13 26.105 . . 1 . . 778 . . 27 LYS CG . 27085 1
276 . 1 1 27 27 LYS CD C 13 29.856 0.003 . 1 . . 777 . . 27 LYS CD . 27085 1
277 . 1 1 27 27 LYS N N 15 117.958 0.02 . 1 . . 38 . . 27 LYS N . 27085 1
278 . 1 1 28 28 LEU H H 1 8.102 0.003 . 1 . . 158 . . 28 LEU H . 27085 1
279 . 1 1 28 28 LEU HA H 1 4.204 0.021 . 1 . . 897 . . 28 LEU HA . 27085 1
280 . 1 1 28 28 LEU HB2 H 1 1.955 0.006 . 1 . . 899 . . 28 LEU HB2 . 27085 1
281 . 1 1 28 28 LEU HG H 1 1.576 0.014 . 1 . . 898 . . 28 LEU HG . 27085 1
282 . 1 1 28 28 LEU C C 13 176.866 0.011 . 1 . . 579 . . 28 LEU C . 27085 1
283 . 1 1 28 28 LEU CA C 13 57.343 0.039 . 1 . . 351 . . 28 LEU CA . 27085 1
284 . 1 1 28 28 LEU CB C 13 43.151 0.017 . 1 . . 350 . . 28 LEU CB . 27085 1
285 . 1 1 28 28 LEU CG C 13 27.856 0.034 . 1 . . 775 . . 28 LEU CG . 27085 1
286 . 1 1 28 28 LEU CD1 C 13 24.247 . . 1 . . 776 . . 28 LEU CD1 . 27085 1
287 . 1 1 28 28 LEU N N 15 119.417 0.022 . 1 . . 159 . . 28 LEU N . 27085 1
288 . 1 1 29 29 GLU H H 1 7.395 0.002 . 1 . . 195 . . 29 GLU H . 27085 1
289 . 1 1 29 29 GLU HA H 1 3.221 0.003 . 1 . . 900 . . 29 GLU HA . 27085 1
290 . 1 1 29 29 GLU HB2 H 1 2.061 . . 2 . . 901 . . 29 GLU HB2 . 27085 1
291 . 1 1 29 29 GLU HB3 H 1 1.986 0.009 . 2 . . 902 . . 29 GLU HB3 . 27085 1
292 . 1 1 29 29 GLU C C 13 177.285 0.004 . 1 . . 611 . . 29 GLU C . 27085 1
293 . 1 1 29 29 GLU CA C 13 59.663 0.028 . 1 . . 450 . . 29 GLU CA . 27085 1
294 . 1 1 29 29 GLU CB C 13 30.160 0.018 . 1 . . 448 . . 29 GLU CB . 27085 1
295 . 1 1 29 29 GLU CG C 13 36.724 . . 1 . . 774 . . 29 GLU CG . 27085 1
296 . 1 1 29 29 GLU N N 15 116.464 0.048 . 1 . . 196 . . 29 GLU N . 27085 1
297 . 1 1 30 30 ARG H H 1 7.231 0.007 . 1 . . 27 . . 30 ARG H . 27085 1
298 . 1 1 30 30 ARG HA H 1 4.070 0.0 . 1 . . 903 . . 30 ARG HA . 27085 1
299 . 1 1 30 30 ARG HB2 H 1 1.683 0.001 . 1 . . 904 . . 30 ARG HB2 . 27085 1
300 . 1 1 30 30 ARG HG2 H 1 1.535 . . 1 . . 905 . . 30 ARG HG2 . 27085 1
301 . 1 1 30 30 ARG C C 13 176.863 0.002 . 1 . . 451 . . 30 ARG C . 27085 1
302 . 1 1 30 30 ARG CA C 13 58.628 0.035 . 1 . . 283 . . 30 ARG CA . 27085 1
303 . 1 1 30 30 ARG CB C 13 29.863 0.044 . 1 . . 282 . . 30 ARG CB . 27085 1
304 . 1 1 30 30 ARG CG C 13 26.727 . . 1 . . 773 . . 30 ARG CG . 27085 1
305 . 1 1 30 30 ARG CD C 13 44.399 . . 1 . . 772 . . 30 ARG CD . 27085 1
306 . 1 1 30 30 ARG N N 15 117.057 0.021 . 1 . . 28 . . 30 ARG N . 27085 1
307 . 1 1 31 31 TYR H H 1 7.733 0.002 . 1 . . 253 . . 31 TYR H . 27085 1
308 . 1 1 31 31 TYR HA H 1 4.509 0.008 . 1 . . 906 . . 31 TYR HA . 27085 1
309 . 1 1 31 31 TYR HB2 H 1 3.087 0.0 . 2 . . 907 . . 31 TYR HB2 . 27085 1
310 . 1 1 31 31 TYR HB3 H 1 2.636 0.001 . 2 . . 908 . . 31 TYR HB3 . 27085 1
311 . 1 1 31 31 TYR C C 13 175.764 0.001 . 1 . . 661 . . 31 TYR C . 27085 1
312 . 1 1 31 31 TYR CA C 13 59.939 0.038 . 1 . . 485 . . 31 TYR CA . 27085 1
313 . 1 1 31 31 TYR CB C 13 40.208 0.031 . 1 . . 484 . . 31 TYR CB . 27085 1
314 . 1 1 31 31 TYR N N 15 117.291 0.029 . 1 . . 254 . . 31 TYR N . 27085 1
315 . 1 1 32 32 PHE H H 1 7.675 0.003 . 1 . . 61 . . 32 PHE H . 27085 1
316 . 1 1 32 32 PHE HA H 1 5.028 0.001 . 1 . . 1141 . . 32 PHE HA . 27085 1
317 . 1 1 32 32 PHE HB2 H 1 3.135 0.003 . 2 . . 1143 . . 32 PHE HB2 . 27085 1
318 . 1 1 32 32 PHE HB3 H 1 3.264 0.007 . 2 . . 1144 . . 32 PHE HB3 . 27085 1
319 . 1 1 32 32 PHE HD1 H 1 7.192 . . 1 . . 1142 . . 32 PHE HD1 . 27085 1
320 . 1 1 32 32 PHE HD2 H 1 7.192 . . 1 . . 1142 . . 32 PHE HD2 . 27085 1
321 . 1 1 32 32 PHE C C 13 175.747 . . 1 . . 810 . . 32 PHE C . 27085 1
322 . 1 1 32 32 PHE CA C 13 56.182 0.046 . 1 . . 297 . . 32 PHE CA . 27085 1
323 . 1 1 32 32 PHE CB C 13 38.919 0.009 . 1 . . 298 . . 32 PHE CB . 27085 1
324 . 1 1 32 32 PHE N N 15 118.242 0.044 . 1 . . 62 . . 32 PHE N . 27085 1
325 . 1 1 33 33 ASN HA H 1 4.535 . . 1 . . 909 . . 33 ASN HA . 27085 1
326 . 1 1 33 33 ASN HB2 H 1 2.809 . . 1 . . 910 . . 33 ASN HB2 . 27085 1
327 . 1 1 33 33 ASN C C 13 175.241 0.013 . 1 . . 582 . . 33 ASN C . 27085 1
328 . 1 1 33 33 ASN CA C 13 56.368 0.034 . 1 . . 691 . . 33 ASN CA . 27085 1
329 . 1 1 33 33 ASN CB C 13 39.462 0.002 . 1 . . 581 . . 33 ASN CB . 27085 1
330 . 1 1 34 34 ASP H H 1 8.744 0.003 . 1 . . 160 . . 34 ASP H . 27085 1
331 . 1 1 34 34 ASP HA H 1 4.595 0.01 . 1 . . 911 . . 34 ASP HA . 27085 1
332 . 1 1 34 34 ASP HB2 H 1 2.785 0.001 . 2 . . 912 . . 34 ASP HB2 . 27085 1
333 . 1 1 34 34 ASP HB3 H 1 2.699 0.001 . 2 . . 913 . . 34 ASP HB3 . 27085 1
334 . 1 1 34 34 ASP C C 13 175.280 0.003 . 1 . . 445 . . 34 ASP C . 27085 1
335 . 1 1 34 34 ASP CA C 13 54.674 0.032 . 1 . . 353 . . 34 ASP CA . 27085 1
336 . 1 1 34 34 ASP CB C 13 41.300 0.017 . 1 . . 352 . . 34 ASP CB . 27085 1
337 . 1 1 34 34 ASP N N 15 117.025 0.013 . 1 . . 161 . . 34 ASP N . 27085 1
338 . 1 1 35 35 VAL H H 1 7.744 0.003 . 1 . . 25 . . 35 VAL H . 27085 1
339 . 1 1 35 35 VAL HA H 1 4.465 0.008 . 1 . . 1145 . . 35 VAL HA . 27085 1
340 . 1 1 35 35 VAL HB H 1 2.239 0.003 . 1 . . 1146 . . 35 VAL HB . 27085 1
341 . 1 1 35 35 VAL HG11 H 1 0.949 0.017 . 1 . . 1148 . . 35 VAL HG11 . 27085 1
342 . 1 1 35 35 VAL HG12 H 1 0.949 0.017 . 1 . . 1148 . . 35 VAL HG12 . 27085 1
343 . 1 1 35 35 VAL HG13 H 1 0.949 0.017 . 1 . . 1148 . . 35 VAL HG13 . 27085 1
344 . 1 1 35 35 VAL C C 13 173.843 . . 1 . . 693 . . 35 VAL C . 27085 1
345 . 1 1 35 35 VAL CA C 13 60.717 0.047 . 1 . . 281 . . 35 VAL CA . 27085 1
346 . 1 1 35 35 VAL CB C 13 33.631 0.002 . 1 . . 280 . . 35 VAL CB . 27085 1
347 . 1 1 35 35 VAL CG1 C 13 20.475 0.0 . 1 . . 1147 . . 35 VAL CG1 . 27085 1
348 . 1 1 35 35 VAL N N 15 120.489 0.035 . 1 . . 26 . . 35 VAL N . 27085 1
349 . 1 1 36 36 PRO HA H 1 4.431 0.003 . 1 . . 914 . . 36 PRO HA . 27085 1
350 . 1 1 36 36 PRO HB2 H 1 2.251 . . 1 . . 915 . . 36 PRO HB2 . 27085 1
351 . 1 1 36 36 PRO HG2 H 1 1.904 0.011 . 1 . . 916 . . 36 PRO HG2 . 27085 1
352 . 1 1 36 36 PRO C C 13 176.823 0.004 . 1 . . 657 . . 36 PRO C . 27085 1
353 . 1 1 36 36 PRO CA C 13 64.838 0.034 . 1 . . 659 . . 36 PRO CA . 27085 1
354 . 1 1 36 36 PRO CB C 13 33.149 0.049 . 1 . . 658 . . 36 PRO CB . 27085 1
355 . 1 1 36 36 PRO CG C 13 28.036 0.017 . 1 . . 770 . . 36 PRO CG . 27085 1
356 . 1 1 36 36 PRO CD C 13 51.764 . . 1 . . 771 . . 36 PRO CD . 27085 1
357 . 1 1 37 37 ASN H H 1 8.113 0.002 . 1 . . 250 . . 37 ASN H . 27085 1
358 . 1 1 37 37 ASN HA H 1 4.886 0.003 . 1 . . 917 . . 37 ASN HA . 27085 1
359 . 1 1 37 37 ASN HB2 H 1 2.719 0.003 . 1 . . 918 . . 37 ASN HB2 . 27085 1
360 . 1 1 37 37 ASN C C 13 173.938 . . 1 . . 660 . . 37 ASN C . 27085 1
361 . 1 1 37 37 ASN CA C 13 53.712 0.021 . 1 . . 400 . . 37 ASN CA . 27085 1
362 . 1 1 37 37 ASN CB C 13 39.812 0.015 . 1 . . 401 . . 37 ASN CB . 27085 1
363 . 1 1 37 37 ASN N N 15 116.729 0.033 . 1 . . 251 . . 37 ASN N . 27085 1
364 . 1 1 38 38 ALA H H 1 8.126 0.005 . 1 . . 21 . . 38 ALA H . 27085 1
365 . 1 1 38 38 ALA HA H 1 4.276 0.009 . 1 . . 919 . . 38 ALA HA . 27085 1
366 . 1 1 38 38 ALA HB1 H 1 1.147 0.004 . 1 . . 920 . . 38 ALA HB1 . 27085 1
367 . 1 1 38 38 ALA HB2 H 1 1.147 0.004 . 1 . . 920 . . 38 ALA HB2 . 27085 1
368 . 1 1 38 38 ALA HB3 H 1 1.147 0.004 . 1 . . 920 . . 38 ALA HB3 . 27085 1
369 . 1 1 38 38 ALA C C 13 172.091 . . 1 . . 440 . . 38 ALA C . 27085 1
370 . 1 1 38 38 ALA CA C 13 53.284 0.046 . 1 . . 279 . . 38 ALA CA . 27085 1
371 . 1 1 38 38 ALA CB C 13 20.970 0.022 . 1 . . 278 . . 38 ALA CB . 27085 1
372 . 1 1 38 38 ALA N N 15 123.600 0.046 . 1 . . 22 . . 38 ALA N . 27085 1
373 . 1 1 39 39 VAL H H 1 8.230 0.002 . 1 . . 140 . . 39 VAL H . 27085 1
374 . 1 1 39 39 VAL HA H 1 4.495 0.003 . 1 . . 921 . . 39 VAL HA . 27085 1
375 . 1 1 39 39 VAL HB H 1 1.754 0.005 . 1 . . 922 . . 39 VAL HB . 27085 1
376 . 1 1 39 39 VAL HG11 H 1 0.737 0.003 . 2 . . 923 . . 39 VAL HG11 . 27085 1
377 . 1 1 39 39 VAL HG12 H 1 0.737 0.003 . 2 . . 923 . . 39 VAL HG12 . 27085 1
378 . 1 1 39 39 VAL HG13 H 1 0.737 0.003 . 2 . . 923 . . 39 VAL HG13 . 27085 1
379 . 1 1 39 39 VAL HG21 H 1 0.391 0.002 . 2 . . 924 . . 39 VAL HG21 . 27085 1
380 . 1 1 39 39 VAL HG22 H 1 0.391 0.002 . 2 . . 924 . . 39 VAL HG22 . 27085 1
381 . 1 1 39 39 VAL HG23 H 1 0.391 0.002 . 2 . . 924 . . 39 VAL HG23 . 27085 1
382 . 1 1 39 39 VAL C C 13 173.722 0.002 . 1 . . 434 . . 39 VAL C . 27085 1
383 . 1 1 39 39 VAL CA C 13 61.294 0.04 . 1 . . 340 . . 39 VAL CA . 27085 1
384 . 1 1 39 39 VAL CB C 13 35.320 0.027 . 1 . . 339 . . 39 VAL CB . 27085 1
385 . 1 1 39 39 VAL CG1 C 13 22.282 0.004 . 2 . . 768 . . 39 VAL CG1 . 27085 1
386 . 1 1 39 39 VAL CG2 C 13 21.323 0.038 . 2 . . 769 . . 39 VAL CG2 . 27085 1
387 . 1 1 39 39 VAL N N 15 122.116 0.035 . 1 . . 141 . . 39 VAL N . 27085 1
388 . 1 1 40 40 ALA H H 1 8.398 0.002 . 1 . . 19 . . 40 ALA H . 27085 1
389 . 1 1 40 40 ALA HA H 1 4.819 0.005 . 1 . . 812 . . 40 ALA HA . 27085 1
390 . 1 1 40 40 ALA HB1 H 1 0.685 0.004 . 1 . . 925 . . 40 ALA HB1 . 27085 1
391 . 1 1 40 40 ALA HB2 H 1 0.685 0.004 . 1 . . 925 . . 40 ALA HB2 . 27085 1
392 . 1 1 40 40 ALA HB3 H 1 0.685 0.004 . 1 . . 925 . . 40 ALA HB3 . 27085 1
393 . 1 1 40 40 ALA C C 13 175.116 0.006 . 1 . . 436 . . 40 ALA C . 27085 1
394 . 1 1 40 40 ALA CA C 13 50.608 0.028 . 1 . . 276 . . 40 ALA CA . 27085 1
395 . 1 1 40 40 ALA CB C 13 21.882 0.019 . 1 . . 277 . . 40 ALA CB . 27085 1
396 . 1 1 40 40 ALA N N 15 126.088 0.056 . 1 . . 20 . . 40 ALA N . 27085 1
397 . 1 1 41 41 HIS H H 1 9.079 0.007 . 1 . . 124 . . 41 HIS H . 27085 1
398 . 1 1 41 41 HIS HA H 1 5.086 0.004 . 1 . . 926 . . 41 HIS HA . 27085 1
399 . 1 1 41 41 HIS HB2 H 1 3.274 0.013 . 2 . . 927 . . 41 HIS HB2 . 27085 1
400 . 1 1 41 41 HIS HB3 H 1 3.072 0.003 . 2 . . 928 . . 41 HIS HB3 . 27085 1
401 . 1 1 41 41 HIS C C 13 175.218 0.022 . 1 . . 544 . . 41 HIS C . 27085 1
402 . 1 1 41 41 HIS CA C 13 56.362 0.034 . 1 . . 327 . . 41 HIS CA . 27085 1
403 . 1 1 41 41 HIS CB C 13 31.642 0.031 . 1 . . 326 . . 41 HIS CB . 27085 1
404 . 1 1 41 41 HIS N N 15 123.712 0.013 . 1 . . 125 . . 41 HIS N . 27085 1
405 . 1 1 42 42 VAL H H 1 9.319 0.014 . 1 . . 77 . . 42 VAL H . 27085 1
406 . 1 1 42 42 VAL HA H 1 5.125 0.001 . 1 . . 929 . . 42 VAL HA . 27085 1
407 . 1 1 42 42 VAL HB H 1 2.244 0.004 . 1 . . 930 . . 42 VAL HB . 27085 1
408 . 1 1 42 42 VAL HG11 H 1 1.018 0.004 . 2 . . 931 . . 42 VAL HG11 . 27085 1
409 . 1 1 42 42 VAL HG12 H 1 1.018 0.004 . 2 . . 931 . . 42 VAL HG12 . 27085 1
410 . 1 1 42 42 VAL HG13 H 1 1.018 0.004 . 2 . . 931 . . 42 VAL HG13 . 27085 1
411 . 1 1 42 42 VAL HG21 H 1 0.851 0.012 . 2 . . 932 . . 42 VAL HG21 . 27085 1
412 . 1 1 42 42 VAL HG22 H 1 0.851 0.012 . 2 . . 932 . . 42 VAL HG22 . 27085 1
413 . 1 1 42 42 VAL HG23 H 1 0.851 0.012 . 2 . . 932 . . 42 VAL HG23 . 27085 1
414 . 1 1 42 42 VAL C C 13 174.178 0.003 . 1 . . 471 . . 42 VAL C . 27085 1
415 . 1 1 42 42 VAL CA C 13 61.740 0.032 . 1 . . 472 . . 42 VAL CA . 27085 1
416 . 1 1 42 42 VAL CB C 13 34.594 0.021 . 1 . . 470 . . 42 VAL CB . 27085 1
417 . 1 1 42 42 VAL CG1 C 13 21.412 0.006 . 1 . . 1111 . . 42 VAL CG1 . 27085 1
418 . 1 1 42 42 VAL CG2 C 13 21.245 . . 1 . . 1111 . . 42 VAL CG2 . 27085 1
419 . 1 1 42 42 VAL N N 15 126.703 0.034 . 1 . . 78 . . 42 VAL N . 27085 1
420 . 1 1 43 43 LYS H H 1 9.379 0.003 . 1 . . 45 . . 43 LYS H . 27085 1
421 . 1 1 43 43 LYS HA H 1 5.342 0.004 . 1 . . 933 . . 43 LYS HA . 27085 1
422 . 1 1 43 43 LYS HB2 H 1 1.759 0.004 . 2 . . 934 . . 43 LYS HB2 . 27085 1
423 . 1 1 43 43 LYS HB3 H 1 1.902 0.003 . 2 . . 935 . . 43 LYS HB3 . 27085 1
424 . 1 1 43 43 LYS HG2 H 1 1.387 0.001 . 1 . . 1149 . . 43 LYS HG2 . 27085 1
425 . 1 1 43 43 LYS HE2 H 1 2.532 . . 1 . . 937 . . 43 LYS HE2 . 27085 1
426 . 1 1 43 43 LYS C C 13 175.271 0.004 . 1 . . 441 . . 43 LYS C . 27085 1
427 . 1 1 43 43 LYS CA C 13 55.889 0.048 . 1 . . 442 . . 43 LYS CA . 27085 1
428 . 1 1 43 43 LYS CB C 13 36.411 0.019 . 1 . . 294 . . 43 LYS CB . 27085 1
429 . 1 1 43 43 LYS CG C 13 26.178 0.033 . 1 . . 766 . . 43 LYS CG . 27085 1
430 . 1 1 43 43 LYS CD C 13 30.449 . . 1 . . 765 . . 43 LYS CD . 27085 1
431 . 1 1 43 43 LYS N N 15 128.689 0.044 . 1 . . 46 . . 43 LYS N . 27085 1
432 . 1 1 44 44 VAL H H 1 8.496 0.002 . 1 . . 23 . . 44 VAL H . 27085 1
433 . 1 1 44 44 VAL HA H 1 5.016 0.006 . 1 . . 938 . . 44 VAL HA . 27085 1
434 . 1 1 44 44 VAL HB H 1 1.886 0.003 . 1 . . 939 . . 44 VAL HB . 27085 1
435 . 1 1 44 44 VAL HG11 H 1 0.780 0.008 . 1 . . 940 . . 44 VAL HG11 . 27085 1
436 . 1 1 44 44 VAL HG12 H 1 0.780 0.008 . 1 . . 940 . . 44 VAL HG12 . 27085 1
437 . 1 1 44 44 VAL HG13 H 1 0.780 0.008 . 1 . . 940 . . 44 VAL HG13 . 27085 1
438 . 1 1 44 44 VAL C C 13 174.265 0.001 . 1 . . 443 . . 44 VAL C . 27085 1
439 . 1 1 44 44 VAL CA C 13 61.740 0.035 . 1 . . 495 . . 44 VAL CA . 27085 1
440 . 1 1 44 44 VAL CB C 13 35.025 0.038 . 1 . . 494 . . 44 VAL CB . 27085 1
441 . 1 1 44 44 VAL CG1 C 13 23.708 0.0 . 2 . . 763 . . 44 VAL CG1 . 27085 1
442 . 1 1 44 44 VAL CG2 C 13 21.792 . . 2 . . 764 . . 44 VAL CG2 . 27085 1
443 . 1 1 44 44 VAL N N 15 124.673 0.063 . 1 . . 24 . . 44 VAL N . 27085 1
444 . 1 1 45 45 LYS H H 1 9.141 0.002 . 1 . . 71 . . 45 LYS H . 27085 1
445 . 1 1 45 45 LYS HA H 1 4.920 0.004 . 1 . . 941 . . 45 LYS HA . 27085 1
446 . 1 1 45 45 LYS HB2 H 1 1.650 0.001 . 2 . . 942 . . 45 LYS HB2 . 27085 1
447 . 1 1 45 45 LYS HB3 H 1 1.714 0.0 . 2 . . 943 . . 45 LYS HB3 . 27085 1
448 . 1 1 45 45 LYS HG2 H 1 1.059 0.0 . 1 . . 1150 . . 45 LYS HG2 . 27085 1
449 . 1 1 45 45 LYS C C 13 174.212 0.01 . 1 . . 468 . . 45 LYS C . 27085 1
450 . 1 1 45 45 LYS CA C 13 56.130 0.055 . 1 . . 303 . . 45 LYS CA . 27085 1
451 . 1 1 45 45 LYS CB C 13 37.469 0.024 . 1 . . 302 . . 45 LYS CB . 27085 1
452 . 1 1 45 45 LYS CG C 13 25.887 . . 1 . . 762 . . 45 LYS CG . 27085 1
453 . 1 1 45 45 LYS CD C 13 30.627 . . 1 . . 761 . . 45 LYS CD . 27085 1
454 . 1 1 45 45 LYS N N 15 128.623 0.035 . 1 . . 72 . . 45 LYS N . 27085 1
455 . 1 1 46 46 THR H H 1 8.273 0.002 . 1 . . 35 . . 46 THR H . 27085 1
456 . 1 1 46 46 THR HA H 1 4.800 0.004 . 1 . . 1151 . . 46 THR HA . 27085 1
457 . 1 1 46 46 THR HB H 1 4.147 0.005 . 1 . . 418 . . 46 THR HB . 27085 1
458 . 1 1 46 46 THR C C 13 173.645 . . 1 . . 457 . . 46 THR C . 27085 1
459 . 1 1 46 46 THR CA C 13 61.626 0.028 . 1 . . 287 . . 46 THR CA . 27085 1
460 . 1 1 46 46 THR CB C 13 71.578 0.011 . 1 . . 286 . . 46 THR CB . 27085 1
461 . 1 1 46 46 THR N N 15 117.456 0.025 . 1 . . 36 . . 46 THR N . 27085 1
462 . 1 1 49 49 ASN HA H 1 4.777 . . 1 . . 944 . . 49 ASN HA . 27085 1
463 . 1 1 49 49 ASN HB2 H 1 2.931 . . 2 . . 945 . . 49 ASN HB2 . 27085 1
464 . 1 1 49 49 ASN HB3 H 1 2.854 . . 2 . . 946 . . 49 ASN HB3 . 27085 1
465 . 1 1 49 49 ASN C C 13 174.774 0.005 . 1 . . 431 . . 49 ASN C . 27085 1
466 . 1 1 49 49 ASN CA C 13 54.190 0.03 . 1 . . 430 . . 49 ASN CA . 27085 1
467 . 1 1 49 49 ASN CB C 13 39.465 0.029 . 1 . . 429 . . 49 ASN CB . 27085 1
468 . 1 1 50 50 SER H H 1 7.650 0.002 . 1 . . 15 . . 50 SER H . 27085 1
469 . 1 1 50 50 SER HA H 1 4.395 0.046 . 1 . . 947 . . 50 SER HA . 27085 1
470 . 1 1 50 50 SER HB2 H 1 3.759 0.011 . 2 . . 948 . . 50 SER HB2 . 27085 1
471 . 1 1 50 50 SER HB3 H 1 3.685 . . 2 . . 949 . . 50 SER HB3 . 27085 1
472 . 1 1 50 50 SER C C 13 172.828 0.02 . 1 . . 432 . . 50 SER C . 27085 1
473 . 1 1 50 50 SER CA C 13 59.573 0.05 . 1 . . 274 . . 50 SER CA . 27085 1
474 . 1 1 50 50 SER CB C 13 64.931 0.026 . 1 . . 275 . . 50 SER CB . 27085 1
475 . 1 1 50 50 SER N N 15 111.632 0.07 . 1 . . 16 . . 50 SER N . 27085 1
476 . 1 1 51 51 ALA H H 1 7.875 0.001 . 1 . . 156 . . 51 ALA H . 27085 1
477 . 1 1 51 51 ALA HA H 1 4.553 0.008 . 1 . . 950 . . 51 ALA HA . 27085 1
478 . 1 1 51 51 ALA HB1 H 1 1.234 0.001 . 1 . . 951 . . 51 ALA HB1 . 27085 1
479 . 1 1 51 51 ALA HB2 H 1 1.234 0.001 . 1 . . 951 . . 51 ALA HB2 . 27085 1
480 . 1 1 51 51 ALA HB3 H 1 1.234 0.001 . 1 . . 951 . . 51 ALA HB3 . 27085 1
481 . 1 1 51 51 ALA C C 13 176.738 0.002 . 1 . . 577 . . 51 ALA C . 27085 1
482 . 1 1 51 51 ALA CA C 13 53.429 0.032 . 1 . . 349 . . 51 ALA CA . 27085 1
483 . 1 1 51 51 ALA CB C 13 20.697 0.011 . 1 . . 348 . . 51 ALA CB . 27085 1
484 . 1 1 51 51 ALA N N 15 123.595 0.03 . 1 . . 157 . . 51 ALA N . 27085 1
485 . 1 1 52 52 THR H H 1 8.056 0.002 . 1 . . 214 . . 52 THR H . 27085 1
486 . 1 1 52 52 THR HA H 1 4.699 0.005 . 1 . . 952 . . 52 THR HA . 27085 1
487 . 1 1 52 52 THR HB H 1 4.091 0.004 . 1 . . 953 . . 52 THR HB . 27085 1
488 . 1 1 52 52 THR HG21 H 1 1.058 0.002 . 1 . . 954 . . 52 THR HG1 . 27085 1
489 . 1 1 52 52 THR HG22 H 1 1.058 0.002 . 1 . . 954 . . 52 THR HG1 . 27085 1
490 . 1 1 52 52 THR HG23 H 1 1.058 0.002 . 1 . . 954 . . 52 THR HG1 . 27085 1
491 . 1 1 52 52 THR C C 13 172.534 0.006 . 1 . . 566 . . 52 THR C . 27085 1
492 . 1 1 52 52 THR CA C 13 64.292 0.062 . 1 . . 381 . . 52 THR CA . 27085 1
493 . 1 1 52 52 THR CB C 13 71.682 0.033 . 1 . . 382 . . 52 THR CB . 27085 1
494 . 1 1 52 52 THR CG2 C 13 23.806 0.002 . 1 . . 760 . . 52 THR CG2 . 27085 1
495 . 1 1 52 52 THR N N 15 117.067 0.021 . 1 . . 215 . . 52 THR N . 27085 1
496 . 1 1 53 53 LYS H H 1 9.179 0.002 . 1 . . 142 . . 53 LYS H . 27085 1
497 . 1 1 53 53 LYS HA H 1 5.172 0.003 . 1 . . 955 . . 53 LYS HA . 27085 1
498 . 1 1 53 53 LYS HB2 H 1 1.791 0.006 . 2 . . 956 . . 53 LYS HB2 . 27085 1
499 . 1 1 53 53 LYS HB3 H 1 2.032 0.003 . 2 . . 957 . . 53 LYS HB3 . 27085 1
500 . 1 1 53 53 LYS C C 13 174.535 0.002 . 1 . . 567 . . 53 LYS C . 27085 1
501 . 1 1 53 53 LYS CA C 13 56.202 0.041 . 1 . . 341 . . 53 LYS CA . 27085 1
502 . 1 1 53 53 LYS CB C 13 37.246 0.031 . 1 . . 342 . . 53 LYS CB . 27085 1
503 . 1 1 53 53 LYS CG C 13 26.863 . . 1 . . 758 . . 53 LYS CG . 27085 1
504 . 1 1 53 53 LYS CD C 13 30.748 . . 1 . . 757 . . 53 LYS CD . 27085 1
505 . 1 1 53 53 LYS N N 15 126.174 0.031 . 1 . . 143 . . 53 LYS N . 27085 1
506 . 1 1 54 54 ILE H H 1 9.003 0.002 . 1 . . 73 . . 54 ILE H . 27085 1
507 . 1 1 54 54 ILE HA H 1 5.065 0.003 . 1 . . 958 . . 54 ILE HA . 27085 1
508 . 1 1 54 54 ILE HB H 1 1.581 0.015 . 1 . . 959 . . 54 ILE HB . 27085 1
509 . 1 1 54 54 ILE HG21 H 1 0.784 0.008 . 1 . . 960 . . 54 ILE HG21 . 27085 1
510 . 1 1 54 54 ILE HG22 H 1 0.784 0.008 . 1 . . 960 . . 54 ILE HG22 . 27085 1
511 . 1 1 54 54 ILE HG23 H 1 0.784 0.008 . 1 . . 960 . . 54 ILE HG23 . 27085 1
512 . 1 1 54 54 ILE C C 13 173.890 0.007 . 1 . . 498 . . 54 ILE C . 27085 1
513 . 1 1 54 54 ILE CA C 13 60.846 0.064 . 1 . . 304 . . 54 ILE CA . 27085 1
514 . 1 1 54 54 ILE CB C 13 42.212 0.031 . 1 . . 667 . . 54 ILE CB . 27085 1
515 . 1 1 54 54 ILE CG1 C 13 29.137 . . 1 . . 759 . . 54 ILE CG1 . 27085 1
516 . 1 1 54 54 ILE CG2 C 13 18.928 0.004 . 1 . . 755 . . 54 ILE CG2 . 27085 1
517 . 1 1 54 54 ILE CD1 C 13 16.434 . . 1 . . 756 . . 54 ILE CD1 . 27085 1
518 . 1 1 54 54 ILE N N 15 126.385 0.032 . 1 . . 74 . . 54 ILE N . 27085 1
519 . 1 1 55 55 GLU H H 1 9.044 0.002 . 1 . . 259 . . 55 GLU H . 27085 1
520 . 1 1 55 55 GLU HA H 1 5.237 0.013 . 1 . . 961 . . 55 GLU HA . 27085 1
521 . 1 1 55 55 GLU HB2 H 1 2.127 0.013 . 2 . . 962 . . 55 GLU HB2 . 27085 1
522 . 1 1 55 55 GLU HB3 H 1 1.948 0.01 . 2 . . 963 . . 55 GLU HB3 . 27085 1
523 . 1 1 55 55 GLU C C 13 175.356 0.009 . 1 . . 668 . . 55 GLU C . 27085 1
524 . 1 1 55 55 GLU CA C 13 55.566 0.039 . 1 . . 406 . . 55 GLU CA . 27085 1
525 . 1 1 55 55 GLU CB C 13 35.259 0.01 . 1 . . 499 . . 55 GLU CB . 27085 1
526 . 1 1 55 55 GLU CG C 13 37.718 . . 1 . . 754 . . 55 GLU CG . 27085 1
527 . 1 1 55 55 GLU N N 15 125.829 0.057 . 1 . . 260 . . 55 GLU N . 27085 1
528 . 1 1 56 56 VAL H H 1 8.994 0.003 . 1 . . 75 . . 56 VAL H . 27085 1
529 . 1 1 56 56 VAL HA H 1 5.336 0.007 . 1 . . 964 . . 56 VAL HA . 27085 1
530 . 1 1 56 56 VAL HB H 1 1.868 0.006 . 1 . . 965 . . 56 VAL HB . 27085 1
531 . 1 1 56 56 VAL HG11 H 1 1.029 0.005 . 2 . . 966 . . 56 VAL HG11 . 27085 1
532 . 1 1 56 56 VAL HG12 H 1 1.029 0.005 . 2 . . 966 . . 56 VAL HG12 . 27085 1
533 . 1 1 56 56 VAL HG13 H 1 1.029 0.005 . 2 . . 966 . . 56 VAL HG13 . 27085 1
534 . 1 1 56 56 VAL HG21 H 1 0.882 0.009 . 2 . . 967 . . 56 VAL HG21 . 27085 1
535 . 1 1 56 56 VAL HG22 H 1 0.882 0.009 . 2 . . 967 . . 56 VAL HG22 . 27085 1
536 . 1 1 56 56 VAL HG23 H 1 0.882 0.009 . 2 . . 967 . . 56 VAL HG23 . 27085 1
537 . 1 1 56 56 VAL C C 13 171.656 . . 1 . . 500 . . 56 VAL C . 27085 1
538 . 1 1 56 56 VAL CA C 13 61.959 0.039 . 1 . . 306 . . 56 VAL CA . 27085 1
539 . 1 1 56 56 VAL CB C 13 36.159 0.022 . 1 . . 305 . . 56 VAL CB . 27085 1
540 . 1 1 56 56 VAL CG1 C 13 23.696 0.009 . 2 . . 752 . . 56 VAL CG1 . 27085 1
541 . 1 1 56 56 VAL CG2 C 13 22.611 0.018 . 2 . . 753 . . 56 VAL CG2 . 27085 1
542 . 1 1 56 56 VAL N N 15 124.450 0.046 . 1 . . 76 . . 56 VAL N . 27085 1
543 . 1 1 57 57 THR H H 1 8.858 0.002 . 1 . . 162 . . 57 THR H . 27085 1
544 . 1 1 57 57 THR HA H 1 5.271 0.002 . 1 . . 968 . . 57 THR HA . 27085 1
545 . 1 1 57 57 THR HB H 1 3.973 0.002 . 1 . . 414 . . 57 THR HB . 27085 1
546 . 1 1 57 57 THR HG21 H 1 1.131 0.002 . 1 . . 969 . . 57 THR HG1 . 27085 1
547 . 1 1 57 57 THR HG22 H 1 1.131 0.002 . 1 . . 969 . . 57 THR HG1 . 27085 1
548 . 1 1 57 57 THR HG23 H 1 1.131 0.002 . 1 . . 969 . . 57 THR HG1 . 27085 1
549 . 1 1 57 57 THR C C 13 174.268 . . 1 . . 586 . . 57 THR C . 27085 1
550 . 1 1 57 57 THR CA C 13 61.907 0.029 . 1 . . 476 . . 57 THR CA . 27085 1
551 . 1 1 57 57 THR CB C 13 72.426 0.021 . 1 . . 355 . . 57 THR CB . 27085 1
552 . 1 1 57 57 THR CG2 C 13 23.223 0.002 . 1 . . 751 . . 57 THR CG2 . 27085 1
553 . 1 1 57 57 THR N N 15 121.156 0.057 . 1 . . 163 . . 57 THR N . 27085 1
554 . 1 1 58 58 ILE H H 1 9.262 0.002 . 1 . . 49 . . 58 ILE H . 27085 1
555 . 1 1 58 58 ILE HA H 1 5.049 0.004 . 1 . . 1121 . . 58 ILE HA . 27085 1
556 . 1 1 58 58 ILE HB H 1 1.900 0.003 . 1 . . 1120 . . 58 ILE HB . 27085 1
557 . 1 1 58 58 ILE C C 13 173.370 . . 1 . . 477 . . 58 ILE C . 27085 1
558 . 1 1 58 58 ILE CA C 13 59.686 0.011 . 1 . . 296 . . 58 ILE CA . 27085 1
559 . 1 1 58 58 ILE CB C 13 41.151 0.014 . 1 . . 295 . . 58 ILE CB . 27085 1
560 . 1 1 58 58 ILE N N 15 123.657 0.02 . 1 . . 50 . . 58 ILE N . 27085 1
561 . 1 1 59 59 PRO HA H 1 4.709 . . 1 . . 970 . . 59 PRO HA . 27085 1
562 . 1 1 59 59 PRO HB2 H 1 2.227 . . 2 . . 971 . . 59 PRO HB2 . 27085 1
563 . 1 1 59 59 PRO HB3 H 1 2.104 . . 2 . . 972 . . 59 PRO HB3 . 27085 1
564 . 1 1 59 59 PRO C C 13 175.980 0.004 . 1 . . 664 . . 59 PRO C . 27085 1
565 . 1 1 59 59 PRO CA C 13 63.925 0.034 . 1 . . 666 . . 59 PRO CA . 27085 1
566 . 1 1 59 59 PRO CB C 13 32.586 0.011 . 1 . . 665 . . 59 PRO CB . 27085 1
567 . 1 1 59 59 PRO CG C 13 28.485 . . 1 . . 750 . . 59 PRO CG . 27085 1
568 . 1 1 60 60 LEU H H 1 8.491 0.003 . 1 . . 257 . . 60 LEU H . 27085 1
569 . 1 1 60 60 LEU HA H 1 4.661 0.001 . 1 . . 973 . . 60 LEU HA . 27085 1
570 . 1 1 60 60 LEU HB2 H 1 1.801 0.001 . 2 . . 974 . . 60 LEU HB2 . 27085 1
571 . 1 1 60 60 LEU HB3 H 1 1.544 . . 2 . . 975 . . 60 LEU HB3 . 27085 1
572 . 1 1 60 60 LEU C C 13 176.854 0.001 . 1 . . 553 . . 60 LEU C . 27085 1
573 . 1 1 60 60 LEU CA C 13 54.232 0.051 . 1 . . 554 . . 60 LEU CA . 27085 1
574 . 1 1 60 60 LEU CB C 13 42.894 0.055 . 1 . . 404 . . 60 LEU CB . 27085 1
575 . 1 1 60 60 LEU CG C 13 26.455 . . 1 . . 748 . . 60 LEU CG . 27085 1
576 . 1 1 60 60 LEU CD1 C 13 23.746 . . 1 . . 749 . . 60 LEU CD1 . 27085 1
577 . 1 1 60 60 LEU N N 15 127.642 0.068 . 1 . . 258 . . 60 LEU N . 27085 1
578 . 1 1 61 61 LYS H H 1 8.129 0.003 . 1 . . 132 . . 61 LYS H . 27085 1
579 . 1 1 61 61 LYS HA H 1 3.998 0.002 . 1 . . 1152 . . 61 LYS HA . 27085 1
580 . 1 1 61 61 LYS HB2 H 1 1.819 . . 1 . . 1153 . . 61 LYS HB2 . 27085 1
581 . 1 1 61 61 LYS C C 13 177.553 . . 1 . . 692 . . 61 LYS C . 27085 1
582 . 1 1 61 61 LYS CA C 13 60.592 0.029 . 1 . . 333 . . 61 LYS CA . 27085 1
583 . 1 1 61 61 LYS CB C 13 32.822 0.007 . 1 . . 332 . . 61 LYS CB . 27085 1
584 . 1 1 61 61 LYS N N 15 120.433 0.041 . 1 . . 133 . . 61 LYS N . 27085 1
585 . 1 1 62 62 ASN HA H 1 4.758 . . 1 . . 976 . . 62 ASN HA . 27085 1
586 . 1 1 62 62 ASN HB2 H 1 2.944 . . 2 . . 977 . . 62 ASN HB2 . 27085 1
587 . 1 1 62 62 ASN HB3 H 1 2.872 . . 2 . . 978 . . 62 ASN HB3 . 27085 1
588 . 1 1 62 62 ASN C C 13 173.921 0.001 . 1 . . 606 . . 62 ASN C . 27085 1
589 . 1 1 62 62 ASN CA C 13 54.598 0.002 . 1 . . 607 . . 62 ASN CA . 27085 1
590 . 1 1 62 62 ASN CB C 13 40.463 0.006 . 1 . . 605 . . 62 ASN CB . 27085 1
591 . 1 1 63 63 VAL H H 1 7.165 0.003 . 1 . . 189 . . 63 VAL H . 27085 1
592 . 1 1 63 63 VAL HA H 1 4.300 0.002 . 1 . . 979 . . 63 VAL HA . 27085 1
593 . 1 1 63 63 VAL HB H 1 1.823 0.009 . 1 . . 980 . . 63 VAL HB . 27085 1
594 . 1 1 63 63 VAL HG11 H 1 0.408 0.004 . 2 . . 981 . . 63 VAL HG11 . 27085 1
595 . 1 1 63 63 VAL HG12 H 1 0.408 0.004 . 2 . . 981 . . 63 VAL HG12 . 27085 1
596 . 1 1 63 63 VAL HG13 H 1 0.408 0.004 . 2 . . 981 . . 63 VAL HG13 . 27085 1
597 . 1 1 63 63 VAL HG21 H 1 0.637 0.007 . 2 . . 982 . . 63 VAL HG21 . 27085 1
598 . 1 1 63 63 VAL HG22 H 1 0.637 0.007 . 2 . . 982 . . 63 VAL HG22 . 27085 1
599 . 1 1 63 63 VAL HG23 H 1 0.637 0.007 . 2 . . 982 . . 63 VAL HG23 . 27085 1
600 . 1 1 63 63 VAL C C 13 172.387 0.007 . 1 . . 625 . . 63 VAL C . 27085 1
601 . 1 1 63 63 VAL CA C 13 61.475 0.03 . 1 . . 627 . . 63 VAL CA . 27085 1
602 . 1 1 63 63 VAL CB C 13 35.522 0.021 . 1 . . 626 . . 63 VAL CB . 27085 1
603 . 1 1 63 63 VAL CG1 C 13 20.788 0.013 . 2 . . 747 . . 63 VAL CG1 . 27085 1
604 . 1 1 63 63 VAL CG2 C 13 21.854 0.013 . 2 . . 746 . . 63 VAL CG2 . 27085 1
605 . 1 1 63 63 VAL N N 15 116.799 0.059 . 1 . . 190 . . 63 VAL N . 27085 1
606 . 1 1 64 64 THR H H 1 8.394 0.002 . 1 . . 216 . . 64 THR H . 27085 1
607 . 1 1 64 64 THR HA H 1 4.683 0.015 . 1 . . 983 . . 64 THR HA . 27085 1
608 . 1 1 64 64 THR HB H 1 3.889 0.003 . 1 . . 417 . . 64 THR HB . 27085 1
609 . 1 1 64 64 THR HG21 H 1 0.936 0.008 . 1 . . 984 . . 64 THR HG21 . 27085 1
610 . 1 1 64 64 THR HG22 H 1 0.936 0.008 . 1 . . 984 . . 64 THR HG22 . 27085 1
611 . 1 1 64 64 THR HG23 H 1 0.936 0.008 . 1 . . 984 . . 64 THR HG23 . 27085 1
612 . 1 1 64 64 THR C C 13 173.896 0.008 . 1 . . 628 . . 64 THR C . 27085 1
613 . 1 1 64 64 THR CA C 13 62.741 0.058 . 1 . . 383 . . 64 THR CA . 27085 1
614 . 1 1 64 64 THR CB C 13 71.110 0.02 . 1 . . 655 . . 64 THR CB . 27085 1
615 . 1 1 64 64 THR CG2 C 13 23.231 0.009 . 1 . . 745 . . 64 THR CG2 . 27085 1
616 . 1 1 64 64 THR N N 15 121.247 0.018 . 1 . . 217 . . 64 THR N . 27085 1
617 . 1 1 65 65 LEU H H 1 8.278 0.003 . 1 . . 243 . . 65 LEU H . 27085 1
618 . 1 1 65 65 LEU HA H 1 4.577 0.003 . 1 . . 985 . . 65 LEU HA . 27085 1
619 . 1 1 65 65 LEU HB2 H 1 1.390 0.017 . 2 . . 987 . . 65 LEU HB2 . 27085 1
620 . 1 1 65 65 LEU HB3 H 1 1.765 0.013 . 2 . . 1154 . . 65 LEU HB3 . 27085 1
621 . 1 1 65 65 LEU HG H 1 1.856 0.003 . 1 . . 986 . . 65 LEU HG . 27085 1
622 . 1 1 65 65 LEU C C 13 175.876 0.007 . 1 . . 493 . . 65 LEU C . 27085 1
623 . 1 1 65 65 LEU CA C 13 54.713 0.031 . 1 . . 397 . . 65 LEU CA . 27085 1
624 . 1 1 65 65 LEU CB C 13 42.719 0.008 . 1 . . 396 . . 65 LEU CB . 27085 1
625 . 1 1 65 65 LEU CG C 13 27.318 0.039 . 1 . . 743 . . 65 LEU CG . 27085 1
626 . 1 1 65 65 LEU CD1 C 13 23.661 . . 1 . . 744 . . 65 LEU CD1 . 27085 1
627 . 1 1 65 65 LEU N N 15 127.987 0.052 . 1 . . 244 . . 65 LEU N . 27085 1
628 . 1 1 66 66 ARG H H 1 8.655 0.002 . 1 . . 69 . . 66 ARG H . 27085 1
629 . 1 1 66 66 ARG HA H 1 5.493 0.005 . 1 . . 988 . . 66 ARG HA . 27085 1
630 . 1 1 66 66 ARG HB2 H 1 1.704 0.006 . 1 . . 989 . . 66 ARG HB2 . 27085 1
631 . 1 1 66 66 ARG HG2 H 1 1.481 . . 1 . . 991 . . 66 ARG HG2 . 27085 1
632 . 1 1 66 66 ARG HD2 H 1 3.097 . . 1 . . 990 . . 66 ARG HD2 . 27085 1
633 . 1 1 66 66 ARG C C 13 174.791 0.005 . 1 . . 593 . . 66 ARG C . 27085 1
634 . 1 1 66 66 ARG CA C 13 56.311 0.035 . 1 . . 592 . . 66 ARG CA . 27085 1
635 . 1 1 66 66 ARG CB C 13 34.797 0.017 . 1 . . 301 . . 66 ARG CB . 27085 1
636 . 1 1 66 66 ARG CG C 13 28.345 0.005 . 1 . . 742 . . 66 ARG CG . 27085 1
637 . 1 1 66 66 ARG CD C 13 44.481 0.019 . 1 . . 741 . . 66 ARG CD . 27085 1
638 . 1 1 66 66 ARG N N 15 122.663 0.023 . 1 . . 70 . . 66 ARG N . 27085 1
639 . 1 1 67 67 ALA H H 1 8.860 0.002 . 1 . . 172 . . 67 ALA H . 27085 1
640 . 1 1 67 67 ALA HA H 1 4.791 0.003 . 1 . . 992 . . 67 ALA HA . 27085 1
641 . 1 1 67 67 ALA HB1 H 1 1.365 0.021 . 1 . . 993 . . 67 ALA HB1 . 27085 1
642 . 1 1 67 67 ALA HB2 H 1 1.365 0.021 . 1 . . 993 . . 67 ALA HB2 . 27085 1
643 . 1 1 67 67 ALA HB3 H 1 1.365 0.021 . 1 . . 993 . . 67 ALA HB3 . 27085 1
644 . 1 1 67 67 ALA C C 13 174.022 0.005 . 1 . . 423 . . 67 ALA C . 27085 1
645 . 1 1 67 67 ALA CA C 13 52.484 0.03 . 1 . . 422 . . 67 ALA CA . 27085 1
646 . 1 1 67 67 ALA CB C 13 25.727 0.021 . 1 . . 360 . . 67 ALA CB . 27085 1
647 . 1 1 67 67 ALA N N 15 125.900 0.025 . 1 . . 173 . . 67 ALA N . 27085 1
648 . 1 1 68 68 GLU H H 1 8.566 0.002 . 1 . . 3 . . 68 GLU H . 27085 1
649 . 1 1 68 68 GLU HA H 1 5.584 0.003 . 1 . . 994 . . 68 GLU HA . 27085 1
650 . 1 1 68 68 GLU HB2 H 1 1.965 0.005 . 1 . . 995 . . 68 GLU HB2 . 27085 1
651 . 1 1 68 68 GLU HG2 H 1 2.078 . . 2 . . 1156 . . 68 GLU HG2 . 27085 1
652 . 1 1 68 68 GLU HG3 H 1 1.973 . . 2 . . 1157 . . 68 GLU HG3 . 27085 1
653 . 1 1 68 68 GLU C C 13 174.411 0.011 . 1 . . 599 . . 68 GLU C . 27085 1
654 . 1 1 68 68 GLU CA C 13 55.403 0.021 . 1 . . 598 . . 68 GLU CA . 27085 1
655 . 1 1 68 68 GLU CB C 13 35.125 0.016 . 1 . . 597 . . 68 GLU CB . 27085 1
656 . 1 1 68 68 GLU CG C 13 36.996 . . 1 . . 740 . . 68 GLU CG . 27085 1
657 . 1 1 68 68 GLU N N 15 119.188 0.021 . 1 . . 4 . . 68 GLU N . 27085 1
658 . 1 1 69 69 GLU H H 1 8.901 0.003 . 1 . . 182 . . 69 GLU H . 27085 1
659 . 1 1 69 69 GLU HA H 1 4.602 0.005 . 1 . . 996 . . 69 GLU HA . 27085 1
660 . 1 1 69 69 GLU HB2 H 1 1.845 0.003 . 1 . . 997 . . 69 GLU HB2 . 27085 1
661 . 1 1 69 69 GLU C C 13 174.437 0.001 . 1 . . 452 . . 69 GLU C . 27085 1
662 . 1 1 69 69 GLU CA C 13 56.387 0.037 . 1 . . 366 . . 69 GLU CA . 27085 1
663 . 1 1 69 69 GLU CB C 13 36.444 0.042 . 1 . . 365 . . 69 GLU CB . 27085 1
664 . 1 1 69 69 GLU CG C 13 38.155 . . 1 . . 739 . . 69 GLU CG . 27085 1
665 . 1 1 69 69 GLU N N 15 122.174 0.041 . 1 . . 183 . . 69 GLU N . 27085 1
666 . 1 1 70 70 ARG H H 1 8.548 0.002 . 1 . . 31 . . 70 ARG H . 27085 1
667 . 1 1 70 70 ARG HA H 1 5.458 0.003 . 1 . . 998 . . 70 ARG HA . 27085 1
668 . 1 1 70 70 ARG HB2 H 1 1.656 0.01 . 2 . . 999 . . 70 ARG HB2 . 27085 1
669 . 1 1 70 70 ARG HB3 H 1 1.604 . . 2 . . 1000 . . 70 ARG HB3 . 27085 1
670 . 1 1 70 70 ARG C C 13 175.524 0.013 . 1 . . 453 . . 70 ARG C . 27085 1
671 . 1 1 70 70 ARG CA C 13 55.017 0.043 . 1 . . 285 . . 70 ARG CA . 27085 1
672 . 1 1 70 70 ARG CB C 13 31.962 0.031 . 1 . . 284 . . 70 ARG CB . 27085 1
673 . 1 1 70 70 ARG CG C 13 28.441 . . 1 . . 737 . . 70 ARG CG . 27085 1
674 . 1 1 70 70 ARG CD C 13 44.359 . . 1 . . 736 . . 70 ARG CD . 27085 1
675 . 1 1 70 70 ARG N N 15 123.572 0.016 . 1 . . 32 . . 70 ARG N . 27085 1
676 . 1 1 71 71 ASN H H 1 9.057 0.004 . 1 . . 246 . . 71 ASN H . 27085 1
677 . 1 1 71 71 ASN HA H 1 4.610 0.004 . 1 . . 1001 . . 71 ASN HA . 27085 1
678 . 1 1 71 71 ASN HB2 H 1 2.559 0.014 . 2 . . 1002 . . 71 ASN HB2 . 27085 1
679 . 1 1 71 71 ASN HB3 H 1 2.510 . . 2 . . 1003 . . 71 ASN HB3 . 27085 1
680 . 1 1 71 71 ASN C C 13 178.018 6.236 . 1 . . 656 . . 71 ASN C . 27085 1
681 . 1 1 71 71 ASN CA C 13 54.350 0.048 . 1 . . 399 . . 71 ASN CA . 27085 1
682 . 1 1 71 71 ASN CB C 13 43.508 0.019 . 1 . . 398 . . 71 ASN CB . 27085 1
683 . 1 1 71 71 ASN N N 15 125.653 0.037 . 1 . . 247 . . 71 ASN N . 27085 1
684 . 1 1 72 72 ASP H H 1 8.728 0.005 . 1 . . 208 . . 72 ASP H . 27085 1
685 . 1 1 72 72 ASP HA H 1 4.638 0.001 . 1 . . 1004 . . 72 ASP HA . 27085 1
686 . 1 1 72 72 ASP HB2 H 1 2.750 0.0 . 2 . . 1005 . . 72 ASP HB2 . 27085 1
687 . 1 1 72 72 ASP HB3 H 1 2.524 0.007 . 2 . . 1006 . . 72 ASP HB3 . 27085 1
688 . 1 1 72 72 ASP C C 13 172.024 4.069 . 1 . . 574 . . 72 ASP C . 27085 1
689 . 1 1 72 72 ASP CA C 13 57.439 0.047 . 1 . . 378 . . 72 ASP CA . 27085 1
690 . 1 1 72 72 ASP CB C 13 42.106 0.031 . 1 . . 377 . . 72 ASP CB . 27085 1
691 . 1 1 72 72 ASP N N 15 125.128 0.041 . 1 . . 209 . . 72 ASP N . 27085 1
692 . 1 1 73 73 ASP H H 1 9.136 0.003 . 1 . . 150 . . 73 ASP H . 27085 1
693 . 1 1 73 73 ASP HA H 1 4.796 0.002 . 1 . . 1007 . . 73 ASP HA . 27085 1
694 . 1 1 73 73 ASP HB2 H 1 2.915 0.002 . 2 . . 1008 . . 73 ASP HB2 . 27085 1
695 . 1 1 73 73 ASP HB3 H 1 2.496 0.005 . 2 . . 1009 . . 73 ASP HB3 . 27085 1
696 . 1 1 73 73 ASP C C 13 175.647 0.007 . 1 . . 536 . . 73 ASP C . 27085 1
697 . 1 1 73 73 ASP CA C 13 53.404 0.04 . 1 . . 345 . . 73 ASP CA . 27085 1
698 . 1 1 73 73 ASP CB C 13 43.252 0.017 . 1 . . 346 . . 73 ASP CB . 27085 1
699 . 1 1 73 73 ASP N N 15 120.879 0.036 . 1 . . 151 . . 73 ASP N . 27085 1
700 . 1 1 74 74 LEU H H 1 8.506 0.003 . 1 . . 115 . . 74 LEU H . 27085 1
701 . 1 1 74 74 LEU HA H 1 3.825 0.006 . 1 . . 1010 . . 74 LEU HA . 27085 1
702 . 1 1 74 74 LEU HB2 H 1 1.474 0.004 . 2 . . 1011 . . 74 LEU HB2 . 27085 1
703 . 1 1 74 74 LEU HB3 H 1 1.205 0.003 . 2 . . 1012 . . 74 LEU HB3 . 27085 1
704 . 1 1 74 74 LEU HD11 H 1 0.740 0.005 . 1 . . 1013 . . 74 LEU HD11 . 27085 1
705 . 1 1 74 74 LEU HD12 H 1 0.740 0.005 . 1 . . 1013 . . 74 LEU HD12 . 27085 1
706 . 1 1 74 74 LEU HD13 H 1 0.740 0.005 . 1 . . 1013 . . 74 LEU HD13 . 27085 1
707 . 1 1 74 74 LEU C C 13 178.070 0.003 . 1 . . 537 . . 74 LEU C . 27085 1
708 . 1 1 74 74 LEU CA C 13 59.345 0.038 . 1 . . 320 . . 74 LEU CA . 27085 1
709 . 1 1 74 74 LEU CB C 13 42.989 0.084 . 1 . . 321 . . 74 LEU CB . 27085 1
710 . 1 1 74 74 LEU CG C 13 28.586 . . 1 . . 734 . . 74 LEU CG . 27085 1
711 . 1 1 74 74 LEU CD1 C 13 26.029 0.005 . 1 . . 735 . . 74 LEU CD1 . 27085 1
712 . 1 1 74 74 LEU N N 15 126.119 0.091 . 1 . . 116 . . 74 LEU N . 27085 1
713 . 1 1 75 75 TYR H H 1 7.467 0.002 . 1 . . 166 . . 75 TYR H . 27085 1
714 . 1 1 75 75 TYR HA H 1 3.738 0.008 . 1 . . 1014 . . 75 TYR HA . 27085 1
715 . 1 1 75 75 TYR HB2 H 1 2.571 0.002 . 2 . . 1015 . . 75 TYR HB2 . 27085 1
716 . 1 1 75 75 TYR HB3 H 1 2.906 0.005 . 2 . . 1016 . . 75 TYR HB3 . 27085 1
717 . 1 1 75 75 TYR C C 13 177.593 0.004 . 1 . . 588 . . 75 TYR C . 27085 1
718 . 1 1 75 75 TYR CA C 13 62.607 0.046 . 1 . . 358 . . 75 TYR CA . 27085 1
719 . 1 1 75 75 TYR CB C 13 37.398 0.031 . 1 . . 357 . . 75 TYR CB . 27085 1
720 . 1 1 75 75 TYR N N 15 116.294 0.027 . 1 . . 167 . . 75 TYR N . 27085 1
721 . 1 1 76 76 ALA H H 1 7.601 0.004 . 1 . . 180 . . 76 ALA H . 27085 1
722 . 1 1 76 76 ALA HA H 1 4.145 0.001 . 1 . . 1017 . . 76 ALA HA . 27085 1
723 . 1 1 76 76 ALA HB1 H 1 1.435 0.002 . 1 . . 1018 . . 76 ALA HB1 . 27085 1
724 . 1 1 76 76 ALA HB2 H 1 1.435 0.002 . 1 . . 1018 . . 76 ALA HB2 . 27085 1
725 . 1 1 76 76 ALA HB3 H 1 1.435 0.002 . 1 . . 1018 . . 76 ALA HB3 . 27085 1
726 . 1 1 76 76 ALA C C 13 181.362 0.006 . 1 . . 531 . . 76 ALA C . 27085 1
727 . 1 1 76 76 ALA CA C 13 55.616 0.036 . 1 . . 363 . . 76 ALA CA . 27085 1
728 . 1 1 76 76 ALA CB C 13 18.631 0.008 . 1 . . 364 . . 76 ALA CB . 27085 1
729 . 1 1 76 76 ALA N N 15 121.617 0.034 . 1 . . 181 . . 76 ALA N . 27085 1
730 . 1 1 77 77 GLY H H 1 8.500 0.002 . 1 . . 109 . . 77 GLY H . 27085 1
731 . 1 1 77 77 GLY HA2 H 1 3.645 0.005 . 2 . . 814 . . 77 GLY HA2 . 27085 1
732 . 1 1 77 77 GLY HA3 H 1 3.942 . . 2 . . 815 . . 77 GLY HA3 . 27085 1
733 . 1 1 77 77 GLY C C 13 175.191 0.004 . 1 . . 676 . . 77 GLY C . 27085 1
734 . 1 1 77 77 GLY CA C 13 48.193 0.036 . 1 . . 675 . . 77 GLY CA . 27085 1
735 . 1 1 77 77 GLY N N 15 104.380 0.031 . 1 . . 110 . . 77 GLY N . 27085 1
736 . 1 1 78 78 ILE H H 1 8.411 0.002 . 1 . . 267 . . 78 ILE H . 27085 1
737 . 1 1 78 78 ILE HA H 1 3.675 0.0 . 1 . . 1159 . . 78 ILE HA . 27085 1
738 . 1 1 78 78 ILE HB H 1 2.325 0.003 . 1 . . 1019 . . 78 ILE HB . 27085 1
739 . 1 1 78 78 ILE C C 13 177.472 0.005 . 1 . . 549 . . 78 ILE C . 27085 1
740 . 1 1 78 78 ILE CA C 13 65.008 0.04 . 1 . . 409 . . 78 ILE CA . 27085 1
741 . 1 1 78 78 ILE CB C 13 37.411 0.038 . 1 . . 547 . . 78 ILE CB . 27085 1
742 . 1 1 78 78 ILE CG1 C 13 30.099 . . 1 . . 731 . . 78 ILE CG1 . 27085 1
743 . 1 1 78 78 ILE CG2 C 13 18.859 . . 1 . . 732 . . 78 ILE CG2 . 27085 1
744 . 1 1 78 78 ILE CD1 C 13 13.909 . . 1 . . 733 . . 78 ILE CD1 . 27085 1
745 . 1 1 78 78 ILE N N 15 122.647 0.015 . 1 . . 268 . . 78 ILE N . 27085 1
746 . 1 1 79 79 ASP H H 1 8.436 0.002 . 1 . . 126 . . 79 ASP H . 27085 1
747 . 1 1 79 79 ASP HA H 1 4.327 0.002 . 1 . . 1021 . . 79 ASP HA . 27085 1
748 . 1 1 79 79 ASP HB2 H 1 2.722 0.001 . 2 . . 1022 . . 79 ASP HB2 . 27085 1
749 . 1 1 79 79 ASP HB3 H 1 2.960 0.006 . 2 . . 1023 . . 79 ASP HB3 . 27085 1
750 . 1 1 79 79 ASP C C 13 179.493 0.009 . 1 . . 669 . . 79 ASP C . 27085 1
751 . 1 1 79 79 ASP CA C 13 59.193 0.026 . 1 . . 670 . . 79 ASP CA . 27085 1
752 . 1 1 79 79 ASP CB C 13 40.808 0.037 . 1 . . 328 . . 79 ASP CB . 27085 1
753 . 1 1 79 79 ASP N N 15 122.630 0.026 . 1 . . 127 . . 79 ASP N . 27085 1
754 . 1 1 80 80 LEU H H 1 8.119 0.002 . 1 . . 261 . . 80 LEU H . 27085 1
755 . 1 1 80 80 LEU HA H 1 4.171 0.004 . 1 . . 1024 . . 80 LEU HA . 27085 1
756 . 1 1 80 80 LEU HB2 H 1 1.947 0.001 . 2 . . 1025 . . 80 LEU HB2 . 27085 1
757 . 1 1 80 80 LEU HB3 H 1 1.539 0.004 . 2 . . 1026 . . 80 LEU HB3 . 27085 1
758 . 1 1 80 80 LEU C C 13 180.829 0.002 . 1 . . 671 . . 80 LEU C . 27085 1
759 . 1 1 80 80 LEU CA C 13 59.138 0.033 . 1 . . 683 . . 80 LEU CA . 27085 1
760 . 1 1 80 80 LEU CB C 13 42.644 0.021 . 1 . . 407 . . 80 LEU CB . 27085 1
761 . 1 1 80 80 LEU CG C 13 26.410 . . 1 . . 729 . . 80 LEU CG . 27085 1
762 . 1 1 80 80 LEU CD1 C 13 23.989 . . 1 . . 730 . . 80 LEU CD1 . 27085 1
763 . 1 1 80 80 LEU N N 15 121.122 0.077 . 1 . . 262 . . 80 LEU N . 27085 1
764 . 1 1 81 81 ILE H H 1 8.607 0.003 . 1 . . 234 . . 81 ILE H . 27085 1
765 . 1 1 81 81 ILE HA H 1 3.671 0.003 . 1 . . 413 . . 81 ILE HA . 27085 1
766 . 1 1 81 81 ILE HB H 1 2.146 0.019 . 1 . . 1028 . . 81 ILE HB . 27085 1
767 . 1 1 81 81 ILE HD11 H 1 0.757 0.007 . 1 . . 1040 . . 81 ILE HD11 . 27085 1
768 . 1 1 81 81 ILE HD12 H 1 0.757 0.007 . 1 . . 1040 . . 81 ILE HD12 . 27085 1
769 . 1 1 81 81 ILE HD13 H 1 0.757 0.007 . 1 . . 1040 . . 81 ILE HD13 . 27085 1
770 . 1 1 81 81 ILE C C 13 177.540 0.006 . 1 . . 647 . . 81 ILE C . 27085 1
771 . 1 1 81 81 ILE CA C 13 65.976 0.039 . 1 . . 392 . . 81 ILE CA . 27085 1
772 . 1 1 81 81 ILE CB C 13 37.638 0.019 . 1 . . 636 . . 81 ILE CB . 27085 1
773 . 1 1 81 81 ILE CG1 C 13 31.630 . . 1 . . 726 . . 81 ILE CG1 . 27085 1
774 . 1 1 81 81 ILE CG2 C 13 18.372 . . 1 . . 727 . . 81 ILE CG2 . 27085 1
775 . 1 1 81 81 ILE CD1 C 13 14.591 0.001 . 1 . . 728 . . 81 ILE CD1 . 27085 1
776 . 1 1 81 81 ILE N N 15 122.271 0.036 . 1 . . 235 . . 81 ILE N . 27085 1
777 . 1 1 82 82 ASN H H 1 8.683 0.007 . 1 . . 224 . . 82 ASN H . 27085 1
778 . 1 1 82 82 ASN HA H 1 4.317 . . 1 . . 1029 . . 82 ASN HA . 27085 1
779 . 1 1 82 82 ASN HB2 H 1 3.032 0.0 . 2 . . 1030 . . 82 ASN HB2 . 27085 1
780 . 1 1 82 82 ASN HB3 H 1 2.532 0.003 . 2 . . 1031 . . 82 ASN HB3 . 27085 1
781 . 1 1 82 82 ASN C C 13 176.782 0.004 . 1 . . 591 . . 82 ASN C . 27085 1
782 . 1 1 82 82 ASN CA C 13 58.424 0.034 . 1 . . 590 . . 82 ASN CA . 27085 1
783 . 1 1 82 82 ASN CB C 13 40.330 0.016 . 1 . . 589 . . 82 ASN CB . 27085 1
784 . 1 1 82 82 ASN N N 15 119.954 0.048 . 1 . . 225 . . 82 ASN N . 27085 1
785 . 1 1 83 83 ASN H H 1 7.612 0.003 . 1 . . 170 . . 83 ASN H . 27085 1
786 . 1 1 83 83 ASN HA H 1 4.493 0.002 . 1 . . 1032 . . 83 ASN HA . 27085 1
787 . 1 1 83 83 ASN HB2 H 1 3.016 0.002 . 2 . . 1033 . . 83 ASN HB2 . 27085 1
788 . 1 1 83 83 ASN HB3 H 1 2.945 . . 2 . . 1034 . . 83 ASN HB3 . 27085 1
789 . 1 1 83 83 ASN C C 13 178.142 0.006 . 1 . . 533 . . 83 ASN C . 27085 1
790 . 1 1 83 83 ASN CA C 13 57.626 0.057 . 1 . . 532 . . 83 ASN CA . 27085 1
791 . 1 1 83 83 ASN CB C 13 39.442 0.012 . 1 . . 359 . . 83 ASN CB . 27085 1
792 . 1 1 83 83 ASN N N 15 116.565 0.04 . 1 . . 171 . . 83 ASN N . 27085 1
793 . 1 1 84 84 LYS H H 1 7.865 0.002 . 1 . . 111 . . 84 LYS H . 27085 1
794 . 1 1 84 84 LYS HA H 1 4.037 0.003 . 1 . . 1036 . . 84 LYS HA . 27085 1
795 . 1 1 84 84 LYS HB2 H 1 2.043 . . 1 . . 1037 . . 84 LYS HB2 . 27085 1
796 . 1 1 84 84 LYS C C 13 179.857 0.002 . 1 . . 632 . . 84 LYS C . 27085 1
797 . 1 1 84 84 LYS CA C 13 61.231 0.039 . 1 . . 317 . . 84 LYS CA . 27085 1
798 . 1 1 84 84 LYS CB C 13 34.416 0.015 . 1 . . 631 . . 84 LYS CB . 27085 1
799 . 1 1 84 84 LYS CG C 13 27.354 . . 1 . . 725 . . 84 LYS CG . 27085 1
800 . 1 1 84 84 LYS N N 15 119.979 0.073 . 1 . . 112 . . 84 LYS N . 27085 1
801 . 1 1 85 85 LEU H H 1 8.706 0.003 . 1 . . 220 . . 85 LEU H . 27085 1
802 . 1 1 85 85 LEU HA H 1 3.978 0.005 . 1 . . 1038 . . 85 LEU HA . 27085 1
803 . 1 1 85 85 LEU HB2 H 1 1.272 0.007 . 1 . . 1039 . . 85 LEU HB2 . 27085 1
804 . 1 1 85 85 LEU C C 13 178.749 0.002 . 1 . . 678 . . 85 LEU C . 27085 1
805 . 1 1 85 85 LEU CA C 13 58.963 0.034 . 1 . . 677 . . 85 LEU CA . 27085 1
806 . 1 1 85 85 LEU CB C 13 43.466 0.016 . 1 . . 385 . . 85 LEU CB . 27085 1
807 . 1 1 85 85 LEU CG C 13 27.558 . . 1 . . 722 . . 85 LEU CG . 27085 1
808 . 1 1 85 85 LEU CD1 C 13 23.947 . . 1 . . 724 . . 85 LEU CD1 . 27085 1
809 . 1 1 85 85 LEU N N 15 119.993 0.02 . 1 . . 221 . . 85 LEU N . 27085 1
810 . 1 1 86 86 GLU H H 1 8.669 0.003 . 1 . . 269 . . 86 GLU H . 27085 1
811 . 1 1 86 86 GLU HA H 1 3.667 0.002 . 1 . . 1041 . . 86 GLU HA . 27085 1
812 . 1 1 86 86 GLU HB2 H 1 2.118 0.01 . 1 . . 1042 . . 86 GLU HB2 . 27085 1
813 . 1 1 86 86 GLU C C 13 178.380 0.008 . 1 . . 642 . . 86 GLU C . 27085 1
814 . 1 1 86 86 GLU CA C 13 61.166 0.029 . 1 . . 643 . . 86 GLU CA . 27085 1
815 . 1 1 86 86 GLU CB C 13 30.252 0.047 . 1 . . 410 . . 86 GLU CB . 27085 1
816 . 1 1 86 86 GLU CG C 13 37.963 . . 1 . . 721 . . 86 GLU CG . 27085 1
817 . 1 1 86 86 GLU N N 15 119.839 0.028 . 1 . . 270 . . 86 GLU N . 27085 1
818 . 1 1 87 87 ARG H H 1 7.644 0.003 . 1 . . 232 . . 87 ARG H . 27085 1
819 . 1 1 87 87 ARG HA H 1 3.940 0.006 . 1 . . 1043 . . 87 ARG HA . 27085 1
820 . 1 1 87 87 ARG HB2 H 1 1.992 0.002 . 1 . . 1044 . . 87 ARG HB2 . 27085 1
821 . 1 1 87 87 ARG C C 13 179.358 0.005 . 1 . . 644 . . 87 ARG C . 27085 1
822 . 1 1 87 87 ARG CA C 13 60.765 0.056 . 1 . . 424 . . 87 ARG CA . 27085 1
823 . 1 1 87 87 ARG CB C 13 31.049 0.021 . 1 . . 391 . . 87 ARG CB . 27085 1
824 . 1 1 87 87 ARG CG C 13 28.961 . . 1 . . 720 . . 87 ARG CG . 27085 1
825 . 1 1 87 87 ARG CD C 13 44.781 . . 1 . . 719 . . 87 ARG CD . 27085 1
826 . 1 1 87 87 ARG N N 15 117.320 0.032 . 1 . . 233 . . 87 ARG N . 27085 1
827 . 1 1 88 88 GLN H H 1 7.796 0.003 . 1 . . 5 . . 88 GLN H . 27085 1
828 . 1 1 88 88 GLN HA H 1 4.014 0.006 . 1 . . 1045 . . 88 GLN HA . 27085 1
829 . 1 1 88 88 GLN HB2 H 1 2.245 0.005 . 2 . . 1046 . . 88 GLN HB2 . 27085 1
830 . 1 1 88 88 GLN HB3 H 1 2.033 . . 2 . . 1048 . . 88 GLN HB3 . 27085 1
831 . 1 1 88 88 GLN C C 13 178.817 0.008 . 1 . . 522 . . 88 GLN C . 27085 1
832 . 1 1 88 88 GLN CA C 13 60.226 0.061 . 1 . . 524 . . 88 GLN CA . 27085 1
833 . 1 1 88 88 GLN CB C 13 30.785 0.018 . 1 . . 523 . . 88 GLN CB . 27085 1
834 . 1 1 88 88 GLN CG C 13 35.768 . . 1 . . 717 . . 88 GLN CG . 27085 1
835 . 1 1 88 88 GLN N N 15 118.288 0.019 . 1 . . 6 . . 88 GLN N . 27085 1
836 . 1 1 89 89 VAL H H 1 8.564 0.002 . 1 . . 99 . . 89 VAL H . 27085 1
837 . 1 1 89 89 VAL HA H 1 3.789 0.004 . 1 . . 412 . . 89 VAL HA . 27085 1
838 . 1 1 89 89 VAL HB H 1 2.029 0.0 . 1 . . 1049 . . 89 VAL HB . 27085 1
839 . 1 1 89 89 VAL C C 13 177.000 0.001 . 1 . . 603 . . 89 VAL C . 27085 1
840 . 1 1 89 89 VAL CA C 13 66.742 0.035 . 1 . . 604 . . 89 VAL CA . 27085 1
841 . 1 1 89 89 VAL CB C 13 32.177 0.006 . 1 . . 314 . . 89 VAL CB . 27085 1
842 . 1 1 89 89 VAL CG1 C 13 25.142 . . 2 . . 715 . . 89 VAL CG1 . 27085 1
843 . 1 1 89 89 VAL CG2 C 13 22.387 . . 2 . . 716 . . 89 VAL CG2 . 27085 1
844 . 1 1 89 89 VAL N N 15 119.738 0.045 . 1 . . 100 . . 89 VAL N . 27085 1
845 . 1 1 90 90 ARG H H 1 7.822 0.002 . 1 . . 186 . . 90 ARG H . 27085 1
846 . 1 1 90 90 ARG HA H 1 3.867 0.004 . 1 . . 1050 . . 90 ARG HA . 27085 1
847 . 1 1 90 90 ARG HB2 H 1 1.831 . . 1 . . 1051 . . 90 ARG HB2 . 27085 1
848 . 1 1 90 90 ARG C C 13 178.903 0.009 . 1 . . 491 . . 90 ARG C . 27085 1
849 . 1 1 90 90 ARG CA C 13 60.710 0.035 . 1 . . 369 . . 90 ARG CA . 27085 1
850 . 1 1 90 90 ARG CB C 13 31.125 0.022 . 1 . . 490 . . 90 ARG CB . 27085 1
851 . 1 1 90 90 ARG CG C 13 29.393 . . 1 . . 714 . . 90 ARG CG . 27085 1
852 . 1 1 90 90 ARG CD C 13 44.821 . . 1 . . 713 . . 90 ARG CD . 27085 1
853 . 1 1 90 90 ARG N N 15 120.053 0.023 . 1 . . 187 . . 90 ARG N . 27085 1
854 . 1 1 91 91 LYS H H 1 7.664 0.003 . 1 . . 67 . . 91 LYS H . 27085 1
855 . 1 1 91 91 LYS HA H 1 4.066 0.006 . 1 . . 1052 . . 91 LYS HA . 27085 1
856 . 1 1 91 91 LYS HB2 H 1 1.794 0.002 . 1 . . 1053 . . 91 LYS HB2 . 27085 1
857 . 1 1 91 91 LYS C C 13 178.427 0.009 . 1 . . 483 . . 91 LYS C . 27085 1
858 . 1 1 91 91 LYS CA C 13 59.780 0.031 . 1 . . 300 . . 91 LYS CA . 27085 1
859 . 1 1 91 91 LYS CB C 13 33.349 0.01 . 1 . . 482 . . 91 LYS CB . 27085 1
860 . 1 1 91 91 LYS CG C 13 25.933 . . 1 . . 712 . . 91 LYS CG . 27085 1
861 . 1 1 91 91 LYS CD C 13 30.391 . . 1 . . 711 . . 91 LYS CD . 27085 1
862 . 1 1 91 91 LYS N N 15 119.122 0.051 . 1 . . 68 . . 91 LYS N . 27085 1
863 . 1 1 92 92 TYR H H 1 7.849 0.004 . 1 . . 57 . . 92 TYR H . 27085 1
864 . 1 1 92 92 TYR HA H 1 4.512 0.005 . 1 . . 1054 . . 92 TYR HA . 27085 1
865 . 1 1 92 92 TYR HB2 H 1 3.038 0.005 . 2 . . 1055 . . 92 TYR HB2 . 27085 1
866 . 1 1 92 92 TYR HB3 H 1 3.263 0.003 . 2 . . 1056 . . 92 TYR HB3 . 27085 1
867 . 1 1 92 92 TYR C C 13 176.774 0.007 . 1 . . 672 . . 92 TYR C . 27085 1
868 . 1 1 92 92 TYR CA C 13 60.448 0.034 . 1 . . 674 . . 92 TYR CA . 27085 1
869 . 1 1 92 92 TYR CB C 13 39.321 0.027 . 1 . . 673 . . 92 TYR CB . 27085 1
870 . 1 1 92 92 TYR N N 15 119.138 0.048 . 1 . . 58 . . 92 TYR N . 27085 1
871 . 1 1 93 93 LYS H H 1 8.079 0.004 . 1 . . 264 . . 93 LYS H . 27085 1
872 . 1 1 93 93 LYS HA H 1 4.030 0.006 . 1 . . 1057 . . 93 LYS HA . 27085 1
873 . 1 1 93 93 LYS HB2 H 1 1.983 0.001 . 1 . . 1058 . . 93 LYS HB2 . 27085 1
874 . 1 1 93 93 LYS HG2 H 1 1.585 0.01 . 1 . . 1059 . . 93 LYS HG2 . 27085 1
875 . 1 1 93 93 LYS C C 13 177.809 0.009 . 1 . . 575 . . 93 LYS C . 27085 1
876 . 1 1 93 93 LYS CA C 13 58.979 0.048 . 1 . . 576 . . 93 LYS CA . 27085 1
877 . 1 1 93 93 LYS CB C 13 33.164 0.031 . 1 . . 408 . . 93 LYS CB . 27085 1
878 . 1 1 93 93 LYS CG C 13 25.802 0.012 . 1 . . 709 . . 93 LYS CG . 27085 1
879 . 1 1 93 93 LYS CD C 13 29.956 . . 1 . . 710 . . 93 LYS CD . 27085 1
880 . 1 1 93 93 LYS N N 15 119.419 0.038 . 1 . . 265 . . 93 LYS N . 27085 1
881 . 1 1 94 94 THR H H 1 7.944 0.001 . 1 . . 152 . . 94 THR H . 27085 1
882 . 1 1 94 94 THR HA H 1 4.288 0.015 . 1 . . 1060 . . 94 THR HA . 27085 1
883 . 1 1 94 94 THR HB H 1 4.321 0.001 . 1 . . 415 . . 94 THR HB . 27085 1
884 . 1 1 94 94 THR HG21 H 1 1.296 0.009 . 1 . . 1061 . . 94 THR HG1 . 27085 1
885 . 1 1 94 94 THR HG22 H 1 1.296 0.009 . 1 . . 1061 . . 94 THR HG1 . 27085 1
886 . 1 1 94 94 THR HG23 H 1 1.296 0.009 . 1 . . 1061 . . 94 THR HG1 . 27085 1
887 . 1 1 94 94 THR C C 13 175.254 0.012 . 1 . . 629 . . 94 THR C . 27085 1
888 . 1 1 94 94 THR CA C 13 64.843 0.033 . 1 . . 630 . . 94 THR CA . 27085 1
889 . 1 1 94 94 THR CB C 13 70.378 0.013 . 1 . . 347 . . 94 THR CB . 27085 1
890 . 1 1 94 94 THR CG2 C 13 22.909 0.002 . 1 . . 708 . . 94 THR CG2 . 27085 1
891 . 1 1 94 94 THR N N 15 112.424 0.026 . 1 . . 153 . . 94 THR N . 27085 1
892 . 1 1 95 95 ARG H H 1 7.881 0.002 . 1 . . 218 . . 95 ARG H . 27085 1
893 . 1 1 95 95 ARG HA H 1 4.279 0.008 . 1 . . 1062 . . 95 ARG HA . 27085 1
894 . 1 1 95 95 ARG HB2 H 1 1.874 0.003 . 1 . . 1063 . . 95 ARG HB2 . 27085 1
895 . 1 1 95 95 ARG C C 13 177.074 0.007 . 1 . . 508 . . 95 ARG C . 27085 1
896 . 1 1 95 95 ARG CA C 13 58.192 0.032 . 1 . . 384 . . 95 ARG CA . 27085 1
897 . 1 1 95 95 ARG CB C 13 31.580 0.021 . 1 . . 507 . . 95 ARG CB . 27085 1
898 . 1 1 95 95 ARG CG C 13 28.231 . . 1 . . 707 . . 95 ARG CG . 27085 1
899 . 1 1 95 95 ARG CD C 13 44.582 . . 1 . . 706 . . 95 ARG CD . 27085 1
900 . 1 1 95 95 ARG N N 15 121.770 0.023 . 1 . . 219 . . 95 ARG N . 27085 1
901 . 1 1 96 96 ILE H H 1 7.867 0.003 . 1 . . 81 . . 96 ILE H . 27085 1
902 . 1 1 96 96 ILE HA H 1 4.060 0.001 . 1 . . 1064 . . 96 ILE HA . 27085 1
903 . 1 1 96 96 ILE HB H 1 1.841 0.006 . 1 . . 1065 . . 96 ILE HB . 27085 1
904 . 1 1 96 96 ILE HD11 H 1 0.827 0.007 . 1 . . 1067 . . 96 ILE HD11 . 27085 1
905 . 1 1 96 96 ILE HD12 H 1 0.827 0.007 . 1 . . 1067 . . 96 ILE HD12 . 27085 1
906 . 1 1 96 96 ILE HD13 H 1 0.827 0.007 . 1 . . 1067 . . 96 ILE HD13 . 27085 1
907 . 1 1 96 96 ILE C C 13 176.266 0.0 . 1 . . 509 . . 96 ILE C . 27085 1
908 . 1 1 96 96 ILE CA C 13 63.060 0.032 . 1 . . 649 . . 96 ILE CA . 27085 1
909 . 1 1 96 96 ILE CB C 13 39.466 0.029 . 1 . . 648 . . 96 ILE CB . 27085 1
910 . 1 1 96 96 ILE CG1 C 13 28.574 . . 1 . . 704 . . 96 ILE CG1 . 27085 1
911 . 1 1 96 96 ILE CG2 C 13 18.651 . . 1 . . 703 . . 96 ILE CG2 . 27085 1
912 . 1 1 96 96 ILE CD1 C 13 14.456 0.004 . 1 . . 705 . . 96 ILE CD1 . 27085 1
913 . 1 1 96 96 ILE N N 15 119.339 0.032 . 1 . . 82 . . 96 ILE N . 27085 1
914 . 1 1 97 97 ASN H H 1 8.179 0.006 . 1 . . 238 . . 97 ASN H . 27085 1
915 . 1 1 97 97 ASN HA H 1 4.731 . . 1 . . 1068 . . 97 ASN HA . 27085 1
916 . 1 1 97 97 ASN HB2 H 1 2.873 0.003 . 2 . . 1069 . . 97 ASN HB2 . 27085 1
917 . 1 1 97 97 ASN HB3 H 1 2.782 0.002 . 2 . . 1070 . . 97 ASN HB3 . 27085 1
918 . 1 1 97 97 ASN C C 13 175.248 0.019 . 1 . . 634 . . 97 ASN C . 27085 1
919 . 1 1 97 97 ASN CA C 13 54.364 0.037 . 1 . . 633 . . 97 ASN CA . 27085 1
920 . 1 1 97 97 ASN CB C 13 39.964 0.035 . 1 . . 393 . . 97 ASN CB . 27085 1
921 . 1 1 97 97 ASN N N 15 120.983 0.045 . 1 . . 239 . . 97 ASN N . 27085 1
922 . 1 1 98 98 ARG H H 1 8.094 0.004 . 1 . . 222 . . 98 ARG H . 27085 1
923 . 1 1 98 98 ARG HA H 1 4.288 0.012 . 1 . . 1071 . . 98 ARG HA . 27085 1
924 . 1 1 98 98 ARG HB2 H 1 1.979 . . 2 . . 1072 . . 98 ARG HB2 . 27085 1
925 . 1 1 98 98 ARG HB3 H 1 2.133 . . 2 . . 1073 . . 98 ARG HB3 . 27085 1
926 . 1 1 98 98 ARG C C 13 176.379 0.008 . 1 . . 635 . . 98 ARG C . 27085 1
927 . 1 1 98 98 ARG CA C 13 57.648 0.06 . 1 . . 386 . . 98 ARG CA . 27085 1
928 . 1 1 98 98 ARG CB C 13 31.773 0.048 . 1 . . 684 . . 98 ARG CB . 27085 1
929 . 1 1 98 98 ARG N N 15 121.443 0.043 . 1 . . 223 . . 98 ARG N . 27085 1
930 . 1 1 99 99 LYS H H 1 8.310 0.003 . 1 . . 136 . . 99 LYS H . 27085 1
931 . 1 1 99 99 LYS HA H 1 4.323 0.007 . 1 . . 1074 . . 99 LYS HA . 27085 1
932 . 1 1 99 99 LYS HB2 H 1 1.866 . . 2 . . 1075 . . 99 LYS HB2 . 27085 1
933 . 1 1 99 99 LYS HB3 H 1 1.791 . . 2 . . 1076 . . 99 LYS HB3 . 27085 1
934 . 1 1 99 99 LYS C C 13 181.037 . . 1 . . 561 . . 99 LYS C . 27085 1
935 . 1 1 99 99 LYS CA C 13 57.658 0.09 . 1 . . 336 . . 99 LYS CA . 27085 1
936 . 1 1 99 99 LYS CB C 13 33.860 0.009 . 1 . . 572 . . 99 LYS CB . 27085 1
937 . 1 1 99 99 LYS CG C 13 25.872 . . 1 . . 701 . . 99 LYS CG . 27085 1
938 . 1 1 99 99 LYS CD C 13 29.963 . . 1 . . 702 . . 99 LYS CD . 27085 1
939 . 1 1 99 99 LYS N N 15 121.836 0.082 . 1 . . 137 . . 99 LYS N . 27085 1
940 . 1 1 100 100 SER H H 1 8.218 0.007 . 1 . . 148 . . 100 SER H . 27085 1
941 . 1 1 100 100 SER HA H 1 4.311 . . 1 . . 1077 . . 100 SER HA . 27085 1
942 . 1 1 100 100 SER HB2 H 1 3.895 . . 2 . . 1078 . . 100 SER HB2 . 27085 1
943 . 1 1 100 100 SER HB3 H 1 3.862 . . 2 . . 1079 . . 100 SER HB3 . 27085 1
944 . 1 1 100 100 SER C C 13 174.674 . . 1 . . 519 . . 100 SER C . 27085 1
945 . 1 1 100 100 SER CA C 13 59.480 0.082 . 1 . . 521 . . 100 SER CA . 27085 1
946 . 1 1 100 100 SER CB C 13 64.921 0.029 . 1 . . 520 . . 100 SER CB . 27085 1
947 . 1 1 100 100 SER N N 15 116.653 0.078 . 1 . . 149 . . 100 SER N . 27085 1
948 . 1 1 101 101 ARG H H 1 8.348 0.003 . 1 . . 97 . . 101 ARG H . 27085 1
949 . 1 1 101 101 ARG HA H 1 4.339 . . 1 . . 1080 . . 101 ARG HA . 27085 1
950 . 1 1 101 101 ARG HB2 H 1 1.888 . . 2 . . 1081 . . 101 ARG HB2 . 27085 1
951 . 1 1 101 101 ARG HB3 H 1 1.781 . . 2 . . 1082 . . 101 ARG HB3 . 27085 1
952 . 1 1 101 101 ARG C C 13 176.117 0.008 . 1 . . 600 . . 101 ARG C . 27085 1
953 . 1 1 101 101 ARG CA C 13 57.342 0.039 . 1 . . 602 . . 101 ARG CA . 27085 1
954 . 1 1 101 101 ARG CB C 13 31.728 0.018 . 1 . . 601 . . 101 ARG CB . 27085 1
955 . 1 1 101 101 ARG CG C 13 28.234 . . 1 . . 700 . . 101 ARG CG . 27085 1
956 . 1 1 101 101 ARG CD C 13 44.445 . . 1 . . 699 . . 101 ARG CD . 27085 1
957 . 1 1 101 101 ARG N N 15 122.556 0.038 . 1 . . 98 . . 101 ARG N . 27085 1
958 . 1 1 102 102 ASP H H 1 8.315 0.002 . 1 . . 184 . . 102 ASP H . 27085 1
959 . 1 1 102 102 ASP HA H 1 4.582 . . 1 . . 1083 . . 102 ASP HA . 27085 1
960 . 1 1 102 102 ASP HB2 H 1 2.707 . . 2 . . 1085 . . 102 ASP HB2 . 27085 1
961 . 1 1 102 102 ASP HB3 H 1 2.629 . . 2 . . 1086 . . 102 ASP HB3 . 27085 1
962 . 1 1 102 102 ASP C C 13 176.326 0.001 . 1 . . 596 . . 102 ASP C . 27085 1
963 . 1 1 102 102 ASP CA C 13 55.532 0.042 . 1 . . 368 . . 102 ASP CA . 27085 1
964 . 1 1 102 102 ASP CB C 13 42.385 0.02 . 1 . . 367 . . 102 ASP CB . 27085 1
965 . 1 1 102 102 ASP N N 15 121.242 0.05 . 1 . . 185 . . 102 ASP N . 27085 1
966 . 1 1 103 103 ARG H H 1 8.275 0.011 . 1 . . 178 . . 103 ARG H . 27085 1
967 . 1 1 103 103 ARG HA H 1 4.322 0.0 . 1 . . 1087 . . 103 ARG HA . 27085 1
968 . 1 1 103 103 ARG HB2 H 1 1.785 . . 2 . . 1088 . . 103 ARG HB2 . 27085 1
969 . 1 1 103 103 ARG HB3 H 1 1.920 . . 2 . . 1089 . . 103 ARG HB3 . 27085 1
970 . 1 1 103 103 ARG HD2 H 1 3.191 . . 1 . . 1090 . . 103 ARG HD2 . 27085 1
971 . 1 1 103 103 ARG C C 13 176.968 0.007 . 1 . . 514 . . 103 ARG C . 27085 1
972 . 1 1 103 103 ARG CA C 13 57.373 0.053 . 1 . . 513 . . 103 ARG CA . 27085 1
973 . 1 1 103 103 ARG CB C 13 31.675 0.039 . 1 . . 362 . . 103 ARG CB . 27085 1
974 . 1 1 103 103 ARG CG C 13 28.071 . . 1 . . 698 . . 103 ARG CG . 27085 1
975 . 1 1 103 103 ARG CD C 13 44.421 0.006 . 1 . . 697 . . 103 ARG CD . 27085 1
976 . 1 1 103 103 ARG N N 15 120.980 0.076 . 1 . . 179 . . 103 ARG N . 27085 1
977 . 1 1 104 104 GLY H H 1 8.444 0.001 . 1 . . 90 . . 104 GLY H . 27085 1
978 . 1 1 104 104 GLY HA2 H 1 3.960 0.002 . 1 . . 420 . . 104 GLY HA2 . 27085 1
979 . 1 1 104 104 GLY C C 13 174.199 0.004 . 1 . . 515 . . 104 GLY C . 27085 1
980 . 1 1 104 104 GLY CA C 13 46.562 0.037 . 1 . . 594 . . 104 GLY CA . 27085 1
981 . 1 1 104 104 GLY N N 15 109.407 0.02 . 1 . . 91 . . 104 GLY N . 27085 1
982 . 1 1 105 105 ASP H H 1 8.216 0.002 . 1 . . 176 . . 105 ASP H . 27085 1
983 . 1 1 105 105 ASP HA H 1 4.585 . . 1 . . 1091 . . 105 ASP HA . 27085 1
984 . 1 1 105 105 ASP HB2 H 1 2.676 . . 1 . . 1092 . . 105 ASP HB2 . 27085 1
985 . 1 1 105 105 ASP C C 13 176.392 0.007 . 1 . . 595 . . 105 ASP C . 27085 1
986 . 1 1 105 105 ASP CA C 13 55.494 0.039 . 1 . . 361 . . 105 ASP CA . 27085 1
987 . 1 1 105 105 ASP CB C 13 42.116 0.009 . 1 . . 510 . . 105 ASP CB . 27085 1
988 . 1 1 105 105 ASP N N 15 120.243 0.008 . 1 . . 177 . . 105 ASP N . 27085 1
989 . 1 1 106 106 GLN H H 1 8.242 0.002 . 1 . . 83 . . 106 GLN H . 27085 1
990 . 1 1 106 106 GLN HA H 1 4.301 . . 1 . . 1095 . . 106 GLN HA . 27085 1
991 . 1 1 106 106 GLN HB2 H 1 2.133 . . 2 . . 1093 . . 106 GLN HB2 . 27085 1
992 . 1 1 106 106 GLN HB3 H 1 1.974 . . 2 . . 1094 . . 106 GLN HB3 . 27085 1
993 . 1 1 106 106 GLN C C 13 176.014 0.005 . 1 . . 511 . . 106 GLN C . 27085 1
994 . 1 1 106 106 GLN CA C 13 56.969 0.04 . 1 . . 308 . . 106 GLN CA . 27085 1
995 . 1 1 106 106 GLN CB C 13 30.513 0.036 . 1 . . 309 . . 106 GLN CB . 27085 1
996 . 1 1 106 106 GLN CG C 13 34.903 . . 1 . . 696 . . 106 GLN CG . 27085 1
997 . 1 1 106 106 GLN N N 15 119.567 0.055 . 1 . . 84 . . 106 GLN N . 27085 1
998 . 1 1 107 107 GLU H H 1 8.310 0.002 . 1 . . 687 . . 107 GLU H . 27085 1
999 . 1 1 107 107 GLU HA H 1 4.232 0.002 . 1 . . 1096 . . 107 GLU HA . 27085 1
1000 . 1 1 107 107 GLU HB2 H 1 1.952 . . 2 . . 1097 . . 107 GLU HB2 . 27085 1
1001 . 1 1 107 107 GLU HB3 H 1 1.891 . . 2 . . 1098 . . 107 GLU HB3 . 27085 1
1002 . 1 1 107 107 GLU HG2 H 1 2.226 . . 2 . . 1099 . . 107 GLU HG2 . 27085 1
1003 . 1 1 107 107 GLU HG3 H 1 2.168 . . 2 . . 1100 . . 107 GLU HG3 . 27085 1
1004 . 1 1 107 107 GLU C C 13 176.270 0.014 . 1 . . 478 . . 107 GLU C . 27085 1
1005 . 1 1 107 107 GLU CA C 13 57.785 0.029 . 1 . . 479 . . 107 GLU CA . 27085 1
1006 . 1 1 107 107 GLU CB C 13 31.242 0.015 . 1 . . 689 . . 107 GLU CB . 27085 1
1007 . 1 1 107 107 GLU CG C 13 37.435 0.006 . 1 . . 695 . . 107 GLU CG . 27085 1
1008 . 1 1 107 107 GLU N N 15 121.831 0.031 . 1 . . 688 . . 107 GLU N . 27085 1
1009 . 1 1 108 108 VAL H H 1 7.971 0.002 . 1 . . 55 . . 108 VAL H . 27085 1
1010 . 1 1 108 108 VAL HA H 1 4.030 0.004 . 1 . . 1101 . . 108 VAL HA . 27085 1
1011 . 1 1 108 108 VAL HB H 1 1.961 0.004 . 1 . . 1102 . . 108 VAL HB . 27085 1
1012 . 1 1 108 108 VAL HG11 H 1 0.838 0.01 . 1 . . 1103 . . 108 VAL HG11 . 27085 1
1013 . 1 1 108 108 VAL HG12 H 1 0.838 0.01 . 1 . . 1103 . . 108 VAL HG12 . 27085 1
1014 . 1 1 108 108 VAL HG13 H 1 0.838 0.01 . 1 . . 1103 . . 108 VAL HG13 . 27085 1
1015 . 1 1 108 108 VAL C C 13 175.655 0.004 . 1 . . 538 . . 108 VAL C . 27085 1
1016 . 1 1 108 108 VAL CA C 13 63.384 0.041 . 1 . . 540 . . 108 VAL CA . 27085 1
1017 . 1 1 108 108 VAL CB C 13 33.770 0.013 . 1 . . 539 . . 108 VAL CB . 27085 1
1018 . 1 1 108 108 VAL CG1 C 13 21.817 0.002 . 1 . . 694 . . 108 VAL CG1 . 27085 1
1019 . 1 1 108 108 VAL N N 15 120.472 0.03 . 1 . . 56 . . 108 VAL N . 27085 1
1020 . 1 1 109 109 PHE H H 1 8.208 0.003 . 1 . . 119 . . 109 PHE H . 27085 1
1021 . 1 1 109 109 PHE HA H 1 4.649 . . 1 . . 1104 . . 109 PHE HA . 27085 1
1022 . 1 1 109 109 PHE HB2 H 1 3.076 . . 2 . . 1105 . . 109 PHE HB2 . 27085 1
1023 . 1 1 109 109 PHE HB3 H 1 2.989 0.011 . 2 . . 1106 . . 109 PHE HB3 . 27085 1
1024 . 1 1 109 109 PHE C C 13 175.424 0.005 . 1 . . 663 . . 109 PHE C . 27085 1
1025 . 1 1 109 109 PHE CA C 13 58.660 0.034 . 1 . . 322 . . 109 PHE CA . 27085 1
1026 . 1 1 109 109 PHE CB C 13 40.677 0.01 . 1 . . 662 . . 109 PHE CB . 27085 1
1027 . 1 1 109 109 PHE N N 15 123.847 0.026 . 1 . . 120 . . 109 PHE N . 27085 1
1028 . 1 1 110 110 VAL H H 1 7.968 0.002 . 1 . . 255 . . 110 VAL H . 27085 1
1029 . 1 1 110 110 VAL HA H 1 4.020 0.012 . 1 . . 1107 . . 110 VAL HA . 27085 1
1030 . 1 1 110 110 VAL HB H 1 1.968 0.002 . 1 . . 1108 . . 110 VAL HB . 27085 1
1031 . 1 1 110 110 VAL HG11 H 1 0.862 0.002 . 1 . . 1110 . . 110 VAL HG11 . 27085 1
1032 . 1 1 110 110 VAL HG12 H 1 0.862 0.002 . 1 . . 1110 . . 110 VAL HG12 . 27085 1
1033 . 1 1 110 110 VAL HG13 H 1 0.862 0.002 . 1 . . 1110 . . 110 VAL HG13 . 27085 1
1034 . 1 1 110 110 VAL C C 13 175.538 . . 1 . . 690 . . 110 VAL C . 27085 1
1035 . 1 1 110 110 VAL CA C 13 63.153 0.015 . 1 . . 403 . . 110 VAL CA . 27085 1
1036 . 1 1 110 110 VAL CB C 13 33.884 0.001 . 1 . . 402 . . 110 VAL CB . 27085 1
1037 . 1 1 110 110 VAL CG1 C 13 21.944 0.0 . 1 . . 1109 . . 110 VAL CG1 . 27085 1
1038 . 1 1 110 110 VAL N N 15 122.404 0.018 . 1 . . 256 . . 110 VAL N . 27085 1
stop_
save_