Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 17166
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $Structure
_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 $15N13C isotropic 17166 1
2 '3D HNCA' 1 $15N13C isotropic 17166 1
3 '3D HNCACB' 1 $15N13C isotropic 17166 1
4 'CBCACONH (H[N[co[{CA|ca[C]}]]])' 1 $15N13C isotropic 17166 1
5 '3D HN(CO)CA' 1 $15N13C isotropic 17166 1
6 '3D HNCO' 1 $15N13C isotropic 17166 1
7 '3D HCCH-TOCSY' 1 $15N13C isotropic 17166 1
8 '3D HCCH-COSY' 1 $15N13C isotropic 17166 1
9 '2D 1H-13C HSQC/HMQC' 1 $15N13C isotropic 17166 1
11 'C_TOCSY (hC_CH.TOCSY)' 1 $15N13C isotropic 17166 1
13 '3D 1H-13C NOESY' 2 $15N13C_d2o isotropic 17166 1
15 '2D 1H-13C HSQC/HMQC' 2 $15N13C_d2o isotropic 17166 1
17 '3D 1H-15N NOESY' 1 $15N13C isotropic 17166 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
3 $CcpNmr_Analysis . . 17166 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.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 3.793 0.039 . 1 . 1008 . . 1 MET HA . 17166 1
2 . 1 1 1 1 MET HB2 H 1 2.126 0.007 . 1 . 1014 . . 1 MET HB2 . 17166 1
3 . 1 1 1 1 MET HB3 H 1 2.041 0.01 . 1 . 1015 . . 1 MET HB3 . 17166 1
4 . 1 1 1 1 MET HG2 H 1 2.567 0.005 . 1 . 1011 . . 1 MET HG2 . 17166 1
5 . 1 1 1 1 MET HG3 H 1 2.567 0.006 . 1 . 1013 . . 1 MET HG3 . 17166 1
6 . 1 1 1 1 MET CA C 13 57.013 0.1 . 1 . 1009 . . 1 MET CA . 17166 1
7 . 1 1 1 1 MET CB C 13 35.917 0.094 . 1 . 1012 . . 1 MET CB . 17166 1
8 . 1 1 1 1 MET CG C 13 31.635 0.057 . 1 . 1010 . . 1 MET CG . 17166 1
9 . 1 1 2 2 ILE HA H 1 5.301 0.012 . 1 . 522 . . 2 ILE HA . 17166 1
10 . 1 1 2 2 ILE HB H 1 1.666 0.01 . 1 . 687 . . 2 ILE HB . 17166 1
11 . 1 1 2 2 ILE HD11 H 1 0.837 0.013 . 1 . 725 . . 2 ILE HD11 . 17166 1
12 . 1 1 2 2 ILE HD12 H 1 0.837 0.013 . 1 . 725 . . 2 ILE HD12 . 17166 1
13 . 1 1 2 2 ILE HD13 H 1 0.837 0.013 . 1 . 725 . . 2 ILE HD13 . 17166 1
14 . 1 1 2 2 ILE HG12 H 1 1.737 0.006 . 1 . 726 . . 2 ILE HG12 . 17166 1
15 . 1 1 2 2 ILE HG13 H 1 1.032 0.011 . 1 . 724 . . 2 ILE HG13 . 17166 1
16 . 1 1 2 2 ILE HG21 H 1 0.844 0.012 . 1 . 723 . . 2 ILE HG21 . 17166 1
17 . 1 1 2 2 ILE HG22 H 1 0.844 0.012 . 1 . 723 . . 2 ILE HG22 . 17166 1
18 . 1 1 2 2 ILE HG23 H 1 0.844 0.012 . 1 . 723 . . 2 ILE HG23 . 17166 1
19 . 1 1 2 2 ILE C C 13 175.500 0.030 . 1 . 945 . . 2 ILE C . 17166 1
20 . 1 1 2 2 ILE CA C 13 60.252 0.093 . 1 . 378 . . 2 ILE CA . 17166 1
21 . 1 1 2 2 ILE CB C 13 42.126 0.05 . 1 . 944 . . 2 ILE CB . 17166 1
22 . 1 1 2 2 ILE CD1 C 13 15.261 0.071 . 1 . 580 . . 2 ILE CD1 . 17166 1
23 . 1 1 2 2 ILE CG1 C 13 28.068 0.031 . 1 . 579 . . 2 ILE CG1 . 17166 1
24 . 1 1 2 2 ILE CG2 C 13 18.552 0.093 . 1 . 417 . . 2 ILE CG2 . 17166 1
25 . 1 1 3 3 GLN H H 1 9.176 0.007 . 1 . 35 . . 3 GLN H . 17166 1
26 . 1 1 3 3 GLN HA H 1 4.896 0.017 . 1 . 545 . . 3 GLN HA . 17166 1
27 . 1 1 3 3 GLN HB2 H 1 2.069 0.014 . 1 . 948 . . 3 GLN HB2 . 17166 1
28 . 1 1 3 3 GLN HB3 H 1 2.163 0.023 . 1 . 946 . . 3 GLN HB3 . 17166 1
29 . 1 1 3 3 GLN HG2 H 1 2.430 0.006 . 1 . 669 . . 3 GLN HG2 . 17166 1
30 . 1 1 3 3 GLN HG3 H 1 2.349 0.007 . 1 . 670 . . 3 GLN HG3 . 17166 1
31 . 1 1 3 3 GLN C C 13 173.824 0.066 . 1 . 784 . . 3 GLN C . 17166 1
32 . 1 1 3 3 GLN CA C 13 54.734 0.079 . 1 . 273 . . 3 GLN CA . 17166 1
33 . 1 1 3 3 GLN CB C 13 33.850 0.155 . 1 . 274 . . 3 GLN CB . 17166 1
34 . 1 1 3 3 GLN CG C 13 34.395 0.095 . 1 . 947 . . 3 GLN CG . 17166 1
35 . 1 1 3 3 GLN N N 15 125.625 0.028 . 1 . 36 . . 3 GLN N . 17166 1
36 . 1 1 4 4 VAL H H 1 8.940 0.005 . 1 . 63 . . 4 VAL H . 17166 1
37 . 1 1 4 4 VAL HA H 1 5.394 0.007 . 1 . 713 . . 4 VAL HA . 17166 1
38 . 1 1 4 4 VAL HB H 1 1.944 0.012 . 1 . 716 . . 4 VAL HB . 17166 1
39 . 1 1 4 4 VAL HG11 H 1 0.903 0.01 . 1 . 539 . . 4 VAL HG11 . 17166 1
40 . 1 1 4 4 VAL HG12 H 1 0.903 0.01 . 1 . 539 . . 4 VAL HG12 . 17166 1
41 . 1 1 4 4 VAL HG13 H 1 0.903 0.01 . 1 . 539 . . 4 VAL HG13 . 17166 1
42 . 1 1 4 4 VAL HG21 H 1 0.850 0.011 . 1 . 540 . . 4 VAL HG21 . 17166 1
43 . 1 1 4 4 VAL HG22 H 1 0.850 0.011 . 1 . 540 . . 4 VAL HG22 . 17166 1
44 . 1 1 4 4 VAL HG23 H 1 0.850 0.011 . 1 . 540 . . 4 VAL HG23 . 17166 1
45 . 1 1 4 4 VAL C C 13 174.565 0.015 . 1 . 779 . . 4 VAL C . 17166 1
46 . 1 1 4 4 VAL CA C 13 60.166 0.092 . 1 . 271 . . 4 VAL CA . 17166 1
47 . 1 1 4 4 VAL CB C 13 34.455 0.064 . 1 . 272 . . 4 VAL CB . 17166 1
48 . 1 1 4 4 VAL CG1 C 13 23.808 0.072 . 1 . 714 . . 4 VAL CG1 . 17166 1
49 . 1 1 4 4 VAL CG2 C 13 20.989 0.135 . 1 . 715 . . 4 VAL CG2 . 17166 1
50 . 1 1 4 4 VAL N N 15 123.684 0.031 . 1 . 64 . . 4 VAL N . 17166 1
51 . 1 1 5 5 TYR H H 1 8.754 0.016 . 1 . 235 . . 5 TYR H . 17166 1
52 . 1 1 5 5 TYR HA H 1 5.310 0.013 . 1 . 450 . . 5 TYR HA . 17166 1
53 . 1 1 5 5 TYR HB2 H 1 3.600 0.021 . 1 . 451 . . 5 TYR HB2 . 17166 1
54 . 1 1 5 5 TYR HB3 H 1 3.084 0.018 . 1 . 452 . . 5 TYR HB3 . 17166 1
55 . 1 1 5 5 TYR HD1 H 1 7.126 0.009 . 3 . 1115 . . 5 TYR HD1 . 17166 1
56 . 1 1 5 5 TYR HD2 H 1 7.126 0.009 . 3 . 1115 . . 5 TYR HD2 . 17166 1
57 . 1 1 5 5 TYR HE1 H 1 6.691 0.004 . 3 . 1116 . . 5 TYR HE1 . 17166 1
58 . 1 1 5 5 TYR HE2 H 1 6.691 0.004 . 3 . 1116 . . 5 TYR HE2 . 17166 1
59 . 1 1 5 5 TYR C C 13 174.110 0.006 . 1 . 778 . . 5 TYR C . 17166 1
60 . 1 1 5 5 TYR CA C 13 56.195 0.074 . 1 . 269 . . 5 TYR CA . 17166 1
61 . 1 1 5 5 TYR CB C 13 41.082 0.084 . 1 . 270 . . 5 TYR CB . 17166 1
62 . 1 1 5 5 TYR CD1 C 13 133.668 0.125 . 3 . 1118 . . 5 TYR CD1 . 17166 1
63 . 1 1 5 5 TYR CD2 C 13 133.668 0.125 . 3 . 1118 . . 5 TYR CD2 . 17166 1
64 . 1 1 5 5 TYR CE1 C 13 117.424 0.118 . 3 . 1117 . . 5 TYR CE1 . 17166 1
65 . 1 1 5 5 TYR CE2 C 13 117.424 0.118 . 3 . 1117 . . 5 TYR CE2 . 17166 1
66 . 1 1 5 5 TYR N N 15 122.532 0.046 . 1 . 236 . . 5 TYR N . 17166 1
67 . 1 1 6 6 SER H H 1 9.191 0.009 . 1 . 125 . . 6 SER H . 17166 1
68 . 1 1 6 6 SER HA H 1 5.223 0.017 . 1 . 548 . . 6 SER HA . 17166 1
69 . 1 1 6 6 SER HB2 H 1 3.678 0.019 . 1 . 561 . . 6 SER HB2 . 17166 1
70 . 1 1 6 6 SER HB3 H 1 4.442 0.01 . 1 . 562 . . 6 SER HB3 . 17166 1
71 . 1 1 6 6 SER C C 13 174.918 0.030 . 1 . 832 . . 6 SER C . 17166 1
72 . 1 1 6 6 SER CA C 13 56.878 0.081 . 1 . 267 . . 6 SER CA . 17166 1
73 . 1 1 6 6 SER CB C 13 64.987 0.025 . 1 . 268 . . 6 SER CB . 17166 1
74 . 1 1 6 6 SER N N 15 115.402 0.079 . 1 . 126 . . 6 SER N . 17166 1
75 . 1 1 7 7 ARG H H 1 9.089 0.013 . 1 . 61 . . 7 ARG H . 17166 1
76 . 1 1 7 7 ARG HA H 1 3.823 0.009 . 1 . 648 . . 7 ARG HA . 17166 1
77 . 1 1 7 7 ARG HB2 H 1 1.945 0.01 . 1 . 652 . . 7 ARG HB2 . 17166 1
78 . 1 1 7 7 ARG HB3 H 1 1.706 0.013 . 1 . 653 . . 7 ARG HB3 . 17166 1
79 . 1 1 7 7 ARG HD2 H 1 3.021 0.004 . 1 . 453 . . 7 ARG HD2 . 17166 1
80 . 1 1 7 7 ARG HD3 H 1 2.749 0.012 . 1 . 651 . . 7 ARG HD3 . 17166 1
81 . 1 1 7 7 ARG HG2 H 1 1.391 0.009 . 1 . 654 . . 7 ARG HG2 . 17166 1
82 . 1 1 7 7 ARG HG3 H 1 0.881 0.01 . 1 . 655 . . 7 ARG HG3 . 17166 1
83 . 1 1 7 7 ARG C C 13 175.505 0.005 . 1 . 819 . . 7 ARG C . 17166 1
84 . 1 1 7 7 ARG CA C 13 59.343 0.062 . 1 . 265 . . 7 ARG CA . 17166 1
85 . 1 1 7 7 ARG CB C 13 33.279 0.032 . 1 . 266 . . 7 ARG CB . 17166 1
86 . 1 1 7 7 ARG CD C 13 43.847 0.042 . 1 . 649 . . 7 ARG CD . 17166 1
87 . 1 1 7 7 ARG CG C 13 25.400 0.003 . 1 . 650 . . 7 ARG CG . 17166 1
88 . 1 1 7 7 ARG N N 15 123.652 0.031 . 1 . 62 . . 7 ARG N . 17166 1
89 . 1 1 8 8 HIS H H 1 8.389 0.014 . 1 . 127 . . 8 HIS H . 17166 1
90 . 1 1 8 8 HIS HA H 1 5.329 0.011 . 1 . 577 . . 8 HIS HA . 17166 1
91 . 1 1 8 8 HIS HB2 H 1 3.210 0.011 . 1 . 681 . . 8 HIS HB2 . 17166 1
92 . 1 1 8 8 HIS HB3 H 1 2.883 0.011 . 1 . 682 . . 8 HIS HB3 . 17166 1
93 . 1 1 8 8 HIS HD2 H 1 6.970 0.041 . 1 . 768 . . 8 HIS HD2 . 17166 1
94 . 1 1 8 8 HIS C C 13 174.577 0.030 . 1 . 990 . . 8 HIS C . 17166 1
95 . 1 1 8 8 HIS CA C 13 52.487 0.123 . 1 . 263 . . 8 HIS CA . 17166 1
96 . 1 1 8 8 HIS CB C 13 30.505 0.079 . 1 . 264 . . 8 HIS CB . 17166 1
97 . 1 1 8 8 HIS CD2 C 13 119.471 0.216 . 1 . 769 . . 8 HIS CD2 . 17166 1
98 . 1 1 8 8 HIS N N 15 114.911 0.051 . 1 . 128 . . 8 HIS N . 17166 1
99 . 1 1 9 9 PRO HA H 1 4.525 0.01 . 1 . 507 . . 9 PRO HA . 17166 1
100 . 1 1 9 9 PRO HB2 H 1 2.427 0.008 . 1 . 508 . . 9 PRO HB2 . 17166 1
101 . 1 1 9 9 PRO HB3 H 1 1.935 0.008 . 1 . 996 . . 9 PRO HB3 . 17166 1
102 . 1 1 9 9 PRO HD2 H 1 3.783 0.008 . 1 . 589 . . 9 PRO HD2 . 17166 1
103 . 1 1 9 9 PRO HD3 H 1 4.086 0.01 . 1 . 624 . . 9 PRO HD3 . 17166 1
104 . 1 1 9 9 PRO HG2 H 1 2.237 0.007 . 1 . 997 . . 9 PRO HG2 . 17166 1
105 . 1 1 9 9 PRO HG3 H 1 2.086 0.009 . 1 . 998 . . 9 PRO HG3 . 17166 1
106 . 1 1 9 9 PRO C C 13 176.963 0.024 . 1 . 829 . . 9 PRO C . 17166 1
107 . 1 1 9 9 PRO CA C 13 64.209 0.067 . 1 . 408 . . 9 PRO CA . 17166 1
108 . 1 1 9 9 PRO CB C 13 31.435 0.088 . 1 . 409 . . 9 PRO CB . 17166 1
109 . 1 1 9 9 PRO CD C 13 50.833 0.131 . 1 . 567 . . 9 PRO CD . 17166 1
110 . 1 1 9 9 PRO CG C 13 28.195 0.086 . 1 . 410 . . 9 PRO CG . 17166 1
111 . 1 1 9 9 PRO N N 15 108.524 0.047 . 1 . 1123 . . 9 PRO N . 17166 1
112 . 1 1 10 10 ALA H H 1 9.161 0.011 . 1 . 25 . . 10 ALA H . 17166 1
113 . 1 1 10 10 ALA HA H 1 4.066 0.007 . 1 . 631 . . 10 ALA HA . 17166 1
114 . 1 1 10 10 ALA HB1 H 1 1.719 0.011 . 1 . 526 . . 10 ALA HB1 . 17166 1
115 . 1 1 10 10 ALA HB2 H 1 1.719 0.011 . 1 . 526 . . 10 ALA HB2 . 17166 1
116 . 1 1 10 10 ALA HB3 H 1 1.719 0.011 . 1 . 526 . . 10 ALA HB3 . 17166 1
117 . 1 1 10 10 ALA C C 13 176.949 0.033 . 1 . 830 . . 10 ALA C . 17166 1
118 . 1 1 10 10 ALA CA C 13 53.304 0.08 . 1 . 157 . . 10 ALA CA . 17166 1
119 . 1 1 10 10 ALA CB C 13 19.932 0.113 . 1 . 158 . . 10 ALA CB . 17166 1
120 . 1 1 10 10 ALA N N 15 127.359 0.073 . 1 . 26 . . 10 ALA N . 17166 1
121 . 1 1 11 11 GLU H H 1 9.048 0.012 . 1 . 45 . . 11 GLU H . 17166 1
122 . 1 1 11 11 GLU HA H 1 4.402 0.017 . 1 . 544 . . 11 GLU HA . 17166 1
123 . 1 1 11 11 GLU HB2 H 1 1.850 0.007 . 1 . 740 . . 11 GLU HB2 . 17166 1
124 . 1 1 11 11 GLU HB3 H 1 1.850 0.01 . 1 . 741 . . 11 GLU HB3 . 17166 1
125 . 1 1 11 11 GLU HG2 H 1 2.167 0.008 . 1 . 644 . . 11 GLU HG2 . 17166 1
126 . 1 1 11 11 GLU HG3 H 1 2.125 0.013 . 1 . 645 . . 11 GLU HG3 . 17166 1
127 . 1 1 11 11 GLU C C 13 175.178 0.011 . 1 . 852 . . 11 GLU C . 17166 1
128 . 1 1 11 11 GLU CA C 13 55.115 0.071 . 1 . 154 . . 11 GLU CA . 17166 1
129 . 1 1 11 11 GLU CB C 13 32.674 0.117 . 1 . 156 . . 11 GLU CB . 17166 1
130 . 1 1 11 11 GLU CG C 13 36.347 0.056 . 1 . 431 . . 11 GLU CG . 17166 1
131 . 1 1 11 11 GLU N N 15 124.791 0.06 . 1 . 46 . . 11 GLU N . 17166 1
132 . 1 1 12 12 ASN H H 1 8.903 0.012 . 1 . 67 . . 12 ASN H . 17166 1
133 . 1 1 12 12 ASN HA H 1 4.509 0.01 . 1 . 435 . . 12 ASN HA . 17166 1
134 . 1 1 12 12 ASN HB2 H 1 2.787 0.008 . 1 . 436 . . 12 ASN HB2 . 17166 1
135 . 1 1 12 12 ASN HB3 H 1 2.669 0.011 . 1 . 437 . . 12 ASN HB3 . 17166 1
136 . 1 1 12 12 ASN HD21 H 1 7.259 0.004 . 1 . 1133 . . 12 ASN HD21 . 17166 1
137 . 1 1 12 12 ASN HD22 H 1 7.626 0.004 . 1 . 1135 . . 12 ASN HD22 . 17166 1
138 . 1 1 12 12 ASN C C 13 177.510 0.030 . 1 . 851 . . 12 ASN C . 17166 1
139 . 1 1 12 12 ASN CA C 13 54.316 0.081 . 1 . 657 . . 12 ASN CA . 17166 1
140 . 1 1 12 12 ASN CB C 13 37.074 0.071 . 1 . 155 . . 12 ASN CB . 17166 1
141 . 1 1 12 12 ASN N N 15 123.388 0.044 . 1 . 68 . . 12 ASN N . 17166 1
142 . 1 1 12 12 ASN ND2 N 15 112.369 0.01 . 1 . 1134 . . 12 ASN ND2 . 17166 1
143 . 1 1 13 13 GLY H H 1 8.957 0.012 . 1 . 143 . . 13 GLY H . 17166 1
144 . 1 1 13 13 GLY HA2 H 1 4.198 0.016 . 1 . 485 . . 13 GLY HA2 . 17166 1
145 . 1 1 13 13 GLY HA3 H 1 3.524 0.018 . 1 . 486 . . 13 GLY HA3 . 17166 1
146 . 1 1 13 13 GLY C C 13 173.397 0.030 . 1 . 960 . . 13 GLY C . 17166 1
147 . 1 1 13 13 GLY CA C 13 45.341 0.097 . 1 . 153 . . 13 GLY CA . 17166 1
148 . 1 1 13 13 GLY N N 15 109.176 0.105 . 1 . 144 . . 13 GLY N . 17166 1
149 . 1 1 14 14 LYS H H 1 7.965 0.011 . 1 . 87 . . 14 LYS H . 17166 1
150 . 1 1 14 14 LYS HA H 1 4.679 0.011 . 1 . 463 . . 14 LYS HA . 17166 1
151 . 1 1 14 14 LYS HB2 H 1 1.819 0.012 . 1 . 617 . . 14 LYS HB2 . 17166 1
152 . 1 1 14 14 LYS HB3 H 1 1.762 0.005 . 1 . 618 . . 14 LYS HB3 . 17166 1
153 . 1 1 14 14 LYS HD2 H 1 1.578 0.021 . 1 . 615 . . 14 LYS HD2 . 17166 1
154 . 1 1 14 14 LYS HD3 H 1 1.621 0.013 . 1 . 616 . . 14 LYS HD3 . 17166 1
155 . 1 1 14 14 LYS HE2 H 1 2.927 0.013 . 1 . 464 . . 14 LYS HE2 . 17166 1
156 . 1 1 14 14 LYS HE3 H 1 2.930 0.013 . 1 . 465 . . 14 LYS HE3 . 17166 1
157 . 1 1 14 14 LYS HG2 H 1 1.328 0.015 . 1 . 613 . . 14 LYS HG2 . 17166 1
158 . 1 1 14 14 LYS HG3 H 1 1.306 0.022 . 1 . 614 . . 14 LYS HG3 . 17166 1
159 . 1 1 14 14 LYS C C 13 175.351 0.030 . 1 . 964 . . 14 LYS C . 17166 1
160 . 1 1 14 14 LYS CA C 13 54.317 0.045 . 1 . 194 . . 14 LYS CA . 17166 1
161 . 1 1 14 14 LYS CB C 13 33.593 0.073 . 1 . 195 . . 14 LYS CB . 17166 1
162 . 1 1 14 14 LYS CD C 13 28.724 0.049 . 1 . 391 . . 14 LYS CD . 17166 1
163 . 1 1 14 14 LYS CE C 13 42.087 0.076 . 1 . 763 . . 14 LYS CE . 17166 1
164 . 1 1 14 14 LYS CG C 13 24.689 0.137 . 1 . 392 . . 14 LYS CG . 17166 1
165 . 1 1 14 14 LYS N N 15 121.474 0.023 . 1 . 88 . . 14 LYS N . 17166 1
166 . 1 1 15 15 SER H H 1 8.477 0.01 . 1 . 101 . . 15 SER H . 17166 1
167 . 1 1 15 15 SER HA H 1 4.231 0.011 . 1 . 516 . . 15 SER HA . 17166 1
168 . 1 1 15 15 SER HB2 H 1 3.703 0.005 . 1 . 517 . . 15 SER HB2 . 17166 1
169 . 1 1 15 15 SER HB3 H 1 3.746 0.008 . 1 . 518 . . 15 SER HB3 . 17166 1
170 . 1 1 15 15 SER HG H 1 1.899 0.030 . 1 . 1197 . . 15 SER HG . 17166 1
171 . 1 1 15 15 SER C C 13 173.432 0.012 . 1 . 854 . . 15 SER C . 17166 1
172 . 1 1 15 15 SER CA C 13 59.858 0.052 . 1 . 196 . . 15 SER CA . 17166 1
173 . 1 1 15 15 SER CB C 13 63.034 0.05 . 1 . 197 . . 15 SER CB . 17166 1
174 . 1 1 15 15 SER N N 15 120.163 0.041 . 1 . 102 . . 15 SER N . 17166 1
175 . 1 1 16 16 ASN H H 1 8.975 0.012 . 1 . 23 . . 16 ASN H . 17166 1
176 . 1 1 16 16 ASN HA H 1 4.872 0.009 . 1 . 476 . . 16 ASN HA . 17166 1
177 . 1 1 16 16 ASN HB2 H 1 2.743 0.009 . 1 . 609 . . 16 ASN HB2 . 17166 1
178 . 1 1 16 16 ASN HB3 H 1 2.536 0.013 . 1 . 610 . . 16 ASN HB3 . 17166 1
179 . 1 1 16 16 ASN HD21 H 1 7.512 0.013 . 1 . 1136 . . 16 ASN HD21 . 17166 1
180 . 1 1 16 16 ASN HD22 H 1 7.861 0.009 . 1 . 1138 . . 16 ASN HD22 . 17166 1
181 . 1 1 16 16 ASN C C 13 173.803 0.030 . 1 . 853 . . 16 ASN C . 17166 1
182 . 1 1 16 16 ASN CA C 13 51.242 0.07 . 1 . 255 . . 16 ASN CA . 17166 1
183 . 1 1 16 16 ASN CB C 13 42.132 0.064 . 1 . 256 . . 16 ASN CB . 17166 1
184 . 1 1 16 16 ASN N N 15 127.405 0.052 . 1 . 24 . . 16 ASN N . 17166 1
185 . 1 1 16 16 ASN ND2 N 15 112.235 0.047 . 1 . 1137 . . 16 ASN ND2 . 17166 1
186 . 1 1 17 17 PHE H H 1 10.528 0.012 . 1 . 227 . . 17 PHE H . 17166 1
187 . 1 1 17 17 PHE HA H 1 5.424 0.014 . 1 . 519 . . 17 PHE HA . 17166 1
188 . 1 1 17 17 PHE HB2 H 1 2.657 0.016 . 1 . 520 . . 17 PHE HB2 . 17166 1
189 . 1 1 17 17 PHE HB3 H 1 2.646 0.022 . 1 . 521 . . 17 PHE HB3 . 17166 1
190 . 1 1 17 17 PHE HD1 H 1 7.023 0.014 . 3 . 1161 . . 17 PHE HD1 . 17166 1
191 . 1 1 17 17 PHE HD2 H 1 7.023 0.014 . 3 . 1161 . . 17 PHE HD2 . 17166 1
192 . 1 1 17 17 PHE HE1 H 1 7.091 0.016 . 3 . 1173 . . 17 PHE HE1 . 17166 1
193 . 1 1 17 17 PHE HE2 H 1 7.091 0.016 . 3 . 1173 . . 17 PHE HE2 . 17166 1
194 . 1 1 17 17 PHE HZ H 1 7.376 0.013 . 1 . 1174 . . 17 PHE HZ . 17166 1
195 . 1 1 17 17 PHE C C 13 173.350 0.012 . 1 . 874 . . 17 PHE C . 17166 1
196 . 1 1 17 17 PHE CA C 13 57.738 0.085 . 1 . 257 . . 17 PHE CA . 17166 1
197 . 1 1 17 17 PHE CB C 13 43.383 0.067 . 1 . 318 . . 17 PHE CB . 17166 1
198 . 1 1 17 17 PHE CZ C 13 129.847 0.030 . 1 . 1120 . . 17 PHE CZ . 17166 1
199 . 1 1 17 17 PHE N N 15 119.867 0.05 . 1 . 228 . . 17 PHE N . 17166 1
200 . 1 1 18 18 LEU H H 1 9.067 0.012 . 1 . 29 . . 18 LEU H . 17166 1
201 . 1 1 18 18 LEU HA H 1 3.683 0.009 . 1 . 629 . . 18 LEU HA . 17166 1
202 . 1 1 18 18 LEU HB2 H 1 0.944 0.01 . 1 . 630 . . 18 LEU HB2 . 17166 1
203 . 1 1 18 18 LEU HB3 H 1 -0.744 0.008 . 1 . 869 . . 18 LEU HB3 . 17166 1
204 . 1 1 18 18 LEU HD11 H 1 -0.602 0.007 . 1 . 871 . . 18 LEU HD11 . 17166 1
205 . 1 1 18 18 LEU HD12 H 1 -0.602 0.007 . 1 . 871 . . 18 LEU HD12 . 17166 1
206 . 1 1 18 18 LEU HD13 H 1 -0.602 0.007 . 1 . 871 . . 18 LEU HD13 . 17166 1
207 . 1 1 18 18 LEU HD21 H 1 0.642 0.013 . 1 . 872 . . 18 LEU HD21 . 17166 1
208 . 1 1 18 18 LEU HD22 H 1 0.642 0.013 . 1 . 872 . . 18 LEU HD22 . 17166 1
209 . 1 1 18 18 LEU HD23 H 1 0.642 0.013 . 1 . 872 . . 18 LEU HD23 . 17166 1
210 . 1 1 18 18 LEU HG H 1 0.043 0.01 . 1 . 870 . . 18 LEU HG . 17166 1
211 . 1 1 18 18 LEU C C 13 173.056 0.017 . 1 . 856 . . 18 LEU C . 17166 1
212 . 1 1 18 18 LEU CA C 13 53.392 0.044 . 1 . 258 . . 18 LEU CA . 17166 1
213 . 1 1 18 18 LEU CB C 13 41.777 0.057 . 1 . 319 . . 18 LEU CB . 17166 1
214 . 1 1 18 18 LEU CD1 C 13 21.159 0.132 . 1 . 1162 . . 18 LEU CD1 . 17166 1
215 . 1 1 18 18 LEU CD2 C 13 26.017 0.093 . 1 . 873 . . 18 LEU CD2 . 17166 1
216 . 1 1 18 18 LEU CG C 13 26.054 0.096 . 1 . 395 . . 18 LEU CG . 17166 1
217 . 1 1 18 18 LEU N N 15 127.126 0.035 . 1 . 30 . . 18 LEU N . 17166 1
218 . 1 1 19 19 ASN H H 1 8.339 0.015 . 1 . 77 . . 19 ASN H . 17166 1
219 . 1 1 19 19 ASN HA H 1 5.072 0.017 . 1 . 477 . . 19 ASN HA . 17166 1
220 . 1 1 19 19 ASN HB2 H 1 2.279 0.013 . 1 . 658 . . 19 ASN HB2 . 17166 1
221 . 1 1 19 19 ASN HB3 H 1 1.890 0.012 . 1 . 659 . . 19 ASN HB3 . 17166 1
222 . 1 1 19 19 ASN C C 13 172.864 0.030 . 1 . 855 . . 19 ASN C . 17166 1
223 . 1 1 19 19 ASN CA C 13 51.442 0.069 . 1 . 259 . . 19 ASN CA . 17166 1
224 . 1 1 19 19 ASN CB C 13 41.419 0.121 . 1 . 260 . . 19 ASN CB . 17166 1
225 . 1 1 19 19 ASN N N 15 122.431 0.038 . 1 . 78 . . 19 ASN N . 17166 1
226 . 1 1 20 20 CYS H H 1 9.542 0.01 . 1 . 81 . . 20 CYS H . 17166 1
227 . 1 1 20 20 CYS HA H 1 5.242 0.01 . 1 . 504 . . 20 CYS HA . 17166 1
228 . 1 1 20 20 CYS HB2 H 1 3.432 0.013 . 1 . 667 . . 20 CYS HB2 . 17166 1
229 . 1 1 20 20 CYS HB3 H 1 2.517 0.01 . 1 . 668 . . 20 CYS HB3 . 17166 1
230 . 1 1 20 20 CYS C C 13 172.125 0.015 . 1 . 782 . . 20 CYS C . 17166 1
231 . 1 1 20 20 CYS CA C 13 53.458 0.048 . 1 . 261 . . 20 CYS CA . 17166 1
232 . 1 1 20 20 CYS CB C 13 41.396 0.085 . 1 . 262 . . 20 CYS CB . 17166 1
233 . 1 1 20 20 CYS N N 15 121.964 0.062 . 1 . 82 . . 20 CYS N . 17166 1
234 . 1 1 21 21 TYR H H 1 9.630 0.011 . 1 . 17 . . 21 TYR H . 17166 1
235 . 1 1 21 21 TYR HA H 1 5.468 0.019 . 1 . 582 . . 21 TYR HA . 17166 1
236 . 1 1 21 21 TYR HB2 H 1 2.910 0.009 . 1 . 523 . . 21 TYR HB2 . 17166 1
237 . 1 1 21 21 TYR HB3 H 1 2.842 0.013 . 1 . 524 . . 21 TYR HB3 . 17166 1
238 . 1 1 21 21 TYR HD1 H 1 6.647 0.011 . 3 . 1070 . . 21 TYR HD1 . 17166 1
239 . 1 1 21 21 TYR HD2 H 1 6.647 0.011 . 3 . 1070 . . 21 TYR HD2 . 17166 1
240 . 1 1 21 21 TYR HE1 H 1 6.400 0.017 . 3 . 1085 . . 21 TYR HE1 . 17166 1
241 . 1 1 21 21 TYR HE2 H 1 6.400 0.017 . 3 . 1085 . . 21 TYR HE2 . 17166 1
242 . 1 1 21 21 TYR C C 13 175.813 0.07 . 1 . 781 . . 21 TYR C . 17166 1
243 . 1 1 21 21 TYR CA C 13 56.658 0.062 . 1 . 282 . . 21 TYR CA . 17166 1
244 . 1 1 21 21 TYR CB C 13 40.572 0.062 . 1 . 415 . . 21 TYR CB . 17166 1
245 . 1 1 21 21 TYR CD1 C 13 132.831 0.158 . 3 . 1071 . . 21 TYR CD1 . 17166 1
246 . 1 1 21 21 TYR CD2 C 13 132.831 0.158 . 3 . 1071 . . 21 TYR CD2 . 17166 1
247 . 1 1 21 21 TYR CE1 C 13 117.943 0.181 . 3 . 1086 . . 21 TYR CE1 . 17166 1
248 . 1 1 21 21 TYR CE2 C 13 117.943 0.181 . 3 . 1086 . . 21 TYR CE2 . 17166 1
249 . 1 1 21 21 TYR N N 15 127.789 0.085 . 1 . 18 . . 21 TYR N . 17166 1
250 . 1 1 22 22 VAL H H 1 9.356 0.024 . 1 . 43 . . 22 VAL H . 17166 1
251 . 1 1 22 22 VAL HA H 1 5.039 0.011 . 1 . 646 . . 22 VAL HA . 17166 1
252 . 1 1 22 22 VAL HB H 1 2.046 0.008 . 1 . 647 . . 22 VAL HB . 17166 1
253 . 1 1 22 22 VAL HG11 H 1 1.058 0.02 . 1 . 525 . . 22 VAL HG11 . 17166 1
254 . 1 1 22 22 VAL HG12 H 1 1.058 0.02 . 1 . 525 . . 22 VAL HG12 . 17166 1
255 . 1 1 22 22 VAL HG13 H 1 1.058 0.02 . 1 . 525 . . 22 VAL HG13 . 17166 1
256 . 1 1 22 22 VAL HG21 H 1 0.964 0.012 . 1 . 785 . . 22 VAL HG21 . 17166 1
257 . 1 1 22 22 VAL HG22 H 1 0.964 0.012 . 1 . 785 . . 22 VAL HG22 . 17166 1
258 . 1 1 22 22 VAL HG23 H 1 0.964 0.012 . 1 . 785 . . 22 VAL HG23 . 17166 1
259 . 1 1 22 22 VAL C C 13 176.158 0.030 . 1 . 787 . . 22 VAL C . 17166 1
260 . 1 1 22 22 VAL CA C 13 61.347 0.09 . 1 . 277 . . 22 VAL CA . 17166 1
261 . 1 1 22 22 VAL CB C 13 35.376 0.106 . 1 . 280 . . 22 VAL CB . 17166 1
262 . 1 1 22 22 VAL CG1 C 13 22.047 0.079 . 1 . 786 . . 22 VAL CG1 . 17166 1
263 . 1 1 22 22 VAL CG2 C 13 22.384 0.204 . 1 . 416 . . 22 VAL CG2 . 17166 1
264 . 1 1 22 22 VAL N N 15 124.794 0.043 . 1 . 44 . . 22 VAL N . 17166 1
265 . 1 1 23 23 SER H H 1 9.288 0.015 . 1 . 49 . . 23 SER H . 17166 1
266 . 1 1 23 23 SER HA H 1 5.500 0.019 . 1 . 583 . . 23 SER HA . 17166 1
267 . 1 1 23 23 SER HB2 H 1 3.909 0.014 . 1 . 563 . . 23 SER HB2 . 17166 1
268 . 1 1 23 23 SER HB3 H 1 3.821 0.013 . 1 . 564 . . 23 SER HB3 . 17166 1
269 . 1 1 23 23 SER C C 13 174.295 0.030 . 1 . 961 . . 23 SER C . 17166 1
270 . 1 1 23 23 SER CA C 13 57.264 0.106 . 1 . 276 . . 23 SER CA . 17166 1
271 . 1 1 23 23 SER CB C 13 66.130 0.044 . 1 . 279 . . 23 SER CB . 17166 1
272 . 1 1 23 23 SER N N 15 124.683 0.077 . 1 . 50 . . 23 SER N . 17166 1
273 . 1 1 24 24 GLY H H 1 8.232 0.015 . 1 . 145 . . 24 GLY H . 17166 1
274 . 1 1 24 24 GLY HA2 H 1 3.754 0.03 . 1 . 680 . . 24 GLY HA2 . 17166 1
275 . 1 1 24 24 GLY HA3 H 1 4.024 0.026 . 1 . 468 . . 24 GLY HA3 . 17166 1
276 . 1 1 24 24 GLY C C 13 173.738 0.030 . 1 . 929 . . 24 GLY C . 17166 1
277 . 1 1 24 24 GLY CA C 13 45.502 0.078 . 1 . 275 . . 24 GLY CA . 17166 1
278 . 1 1 24 24 GLY N N 15 107.031 0.029 . 1 . 146 . . 24 GLY N . 17166 1
279 . 1 1 25 25 PHE H H 1 8.783 0.013 . 1 . 105 . . 25 PHE H . 17166 1
280 . 1 1 25 25 PHE HA H 1 4.840 0.009 . 1 . 538 . . 25 PHE HA . 17166 1
281 . 1 1 25 25 PHE HB2 H 1 2.812 0.009 . 1 . 707 . . 25 PHE HB2 . 17166 1
282 . 1 1 25 25 PHE HB3 H 1 2.501 0.012 . 1 . 706 . . 25 PHE HB3 . 17166 1
283 . 1 1 25 25 PHE HD1 H 1 6.881 0.008 . 3 . 1074 . . 25 PHE HD1 . 17166 1
284 . 1 1 25 25 PHE HD2 H 1 6.881 0.008 . 3 . 1074 . . 25 PHE HD2 . 17166 1
285 . 1 1 25 25 PHE HE1 H 1 6.921 0.01 . 3 . 1089 . . 25 PHE HE1 . 17166 1
286 . 1 1 25 25 PHE HE2 H 1 6.921 0.01 . 3 . 1089 . . 25 PHE HE2 . 17166 1
287 . 1 1 25 25 PHE HZ H 1 6.988 0.014 . 1 . 1090 . . 25 PHE HZ . 17166 1
288 . 1 1 25 25 PHE C C 13 173.587 0.030 . 1 . 820 . . 25 PHE C . 17166 1
289 . 1 1 25 25 PHE CA C 13 55.743 0.065 . 1 . 278 . . 25 PHE CA . 17166 1
290 . 1 1 25 25 PHE CB C 13 42.594 0.096 . 1 . 281 . . 25 PHE CB . 17166 1
291 . 1 1 25 25 PHE CD1 C 13 131.429 0.141 . 3 . 1075 . . 25 PHE CD1 . 17166 1
292 . 1 1 25 25 PHE CD2 C 13 131.429 0.141 . 3 . 1075 . . 25 PHE CD2 . 17166 1
293 . 1 1 25 25 PHE CE1 C 13 130.152 0.148 . 3 . 1091 . . 25 PHE CE1 . 17166 1
294 . 1 1 25 25 PHE CE2 C 13 130.152 0.148 . 3 . 1091 . . 25 PHE CE2 . 17166 1
295 . 1 1 25 25 PHE CZ C 13 128.699 0.135 . 1 . 1092 . . 25 PHE CZ . 17166 1
296 . 1 1 25 25 PHE N N 15 119.836 0.057 . 1 . 106 . . 25 PHE N . 17166 1
297 . 1 1 26 26 HIS H H 1 8.804 0.007 . 1 . 51 . . 26 HIS H . 17166 1
298 . 1 1 26 26 HIS HA H 1 3.430 0.03 . 1 . 683 . . 26 HIS HA . 17166 1
299 . 1 1 26 26 HIS HB2 H 1 2.841 0.014 . 1 . 685 . . 26 HIS HB2 . 17166 1
300 . 1 1 26 26 HIS HB3 H 1 2.693 0.015 . 1 . 686 . . 26 HIS HB3 . 17166 1
301 . 1 1 26 26 HIS HD2 H 1 7.119 0.004 . 1 . 770 . . 26 HIS HD2 . 17166 1
302 . 1 1 26 26 HIS CA C 13 55.097 0.101 . 1 . 320 . . 26 HIS CA . 17166 1
303 . 1 1 26 26 HIS CB C 13 31.438 0.126 . 1 . 684 . . 26 HIS CB . 17166 1
304 . 1 1 26 26 HIS CD2 C 13 118.170 0.21 . 1 . 773 . . 26 HIS CD2 . 17166 1
305 . 1 1 26 26 HIS N N 15 124.541 0.041 . 1 . 52 . . 26 HIS N . 17166 1
306 . 1 1 27 27 PRO HA H 1 4.054 0.011 . 1 . 557 . . 27 PRO HA . 17166 1
307 . 1 1 27 27 PRO HB2 H 1 2.180 0.006 . 1 . 588 . . 27 PRO HB2 . 17166 1
308 . 1 1 27 27 PRO HB3 H 1 1.935 0.011 . 1 . 1005 . . 27 PRO HB3 . 17166 1
309 . 1 1 27 27 PRO HD2 H 1 3.095 0.013 . 1 . 587 . . 27 PRO HD2 . 17166 1
310 . 1 1 27 27 PRO HD3 H 1 2.280 0.023 . 1 . 628 . . 27 PRO HD3 . 17166 1
311 . 1 1 27 27 PRO HG2 H 1 1.908 0.011 . 1 . 1007 . . 27 PRO HG2 . 17166 1
312 . 1 1 27 27 PRO HG3 H 1 1.784 0.009 . 1 . 1006 . . 27 PRO HG3 . 17166 1
313 . 1 1 27 27 PRO C C 13 178.517 0.018 . 1 . 988 . . 27 PRO C . 17166 1
314 . 1 1 27 27 PRO CA C 13 64.517 0.076 . 1 . 367 . . 27 PRO CA . 17166 1
315 . 1 1 27 27 PRO CB C 13 31.501 0.122 . 1 . 559 . . 27 PRO CB . 17166 1
316 . 1 1 27 27 PRO CD C 13 50.272 0.094 . 1 . 558 . . 27 PRO CD . 17166 1
317 . 1 1 27 27 PRO CG C 13 27.168 0.13 . 1 . 560 . . 27 PRO CG . 17166 1
318 . 1 1 27 27 PRO N N 15 103.905 0.030 . 1 . 1121 . . 27 PRO N . 17166 1
319 . 1 1 28 28 SER H H 1 10.413 0.015 . 1 . 338 . . 28 SER H . 17166 1
320 . 1 1 28 28 SER HA H 1 4.399 0.011 . 1 . 461 . . 28 SER HA . 17166 1
321 . 1 1 28 28 SER HB2 H 1 4.006 0.014 . 1 . 585 . . 28 SER HB2 . 17166 1
322 . 1 1 28 28 SER HB3 H 1 3.941 0.007 . 1 . 586 . . 28 SER HB3 . 17166 1
323 . 1 1 28 28 SER C C 13 175.287 0.051 . 1 . 859 . . 28 SER C . 17166 1
324 . 1 1 28 28 SER CA C 13 60.679 0.047 . 1 . 340 . . 28 SER CA . 17166 1
325 . 1 1 28 28 SER CB C 13 63.096 0.073 . 1 . 375 . . 28 SER CB . 17166 1
326 . 1 1 28 28 SER N N 15 115.629 0.113 . 1 . 339 . . 28 SER N . 17166 1
327 . 1 1 29 29 ASP H H 1 8.134 0.015 . 1 . 109 . . 29 ASP H . 17166 1
328 . 1 1 29 29 ASP HA H 1 4.735 0.012 . 1 . 446 . . 29 ASP HA . 17166 1
329 . 1 1 29 29 ASP HB2 H 1 2.756 0.016 . 1 . 447 . . 29 ASP HB2 . 17166 1
330 . 1 1 29 29 ASP HB3 H 1 2.746 0.01 . 1 . 448 . . 29 ASP HB3 . 17166 1
331 . 1 1 29 29 ASP C C 13 175.058 0.030 . 1 . 860 . . 29 ASP C . 17166 1
332 . 1 1 29 29 ASP CA C 13 54.408 0.106 . 1 . 287 . . 29 ASP CA . 17166 1
333 . 1 1 29 29 ASP CB C 13 42.681 0.067 . 1 . 288 . . 29 ASP CB . 17166 1
334 . 1 1 29 29 ASP N N 15 119.289 0.034 . 1 . 110 . . 29 ASP N . 17166 1
335 . 1 1 30 30 ILE H H 1 7.096 0.011 . 1 . 137 . . 30 ILE H . 17166 1
336 . 1 1 30 30 ILE HA H 1 5.072 0.008 . 1 . 688 . . 30 ILE HA . 17166 1
337 . 1 1 30 30 ILE HB H 1 1.455 0.009 . 1 . 690 . . 30 ILE HB . 17166 1
338 . 1 1 30 30 ILE HD11 H 1 0.613 0.009 . 1 . 730 . . 30 ILE HD11 . 17166 1
339 . 1 1 30 30 ILE HD12 H 1 0.613 0.009 . 1 . 730 . . 30 ILE HD12 . 17166 1
340 . 1 1 30 30 ILE HD13 H 1 0.613 0.009 . 1 . 730 . . 30 ILE HD13 . 17166 1
341 . 1 1 30 30 ILE HG12 H 1 1.247 0.009 . 1 . 728 . . 30 ILE HG12 . 17166 1
342 . 1 1 30 30 ILE HG13 H 1 1.084 0.01 . 1 . 729 . . 30 ILE HG13 . 17166 1
343 . 1 1 30 30 ILE HG21 H 1 0.489 0.009 . 1 . 727 . . 30 ILE HG21 . 17166 1
344 . 1 1 30 30 ILE HG22 H 1 0.489 0.009 . 1 . 727 . . 30 ILE HG22 . 17166 1
345 . 1 1 30 30 ILE HG23 H 1 0.489 0.009 . 1 . 727 . . 30 ILE HG23 . 17166 1
346 . 1 1 30 30 ILE C C 13 174.015 0.015 . 1 . 953 . . 30 ILE C . 17166 1
347 . 1 1 30 30 ILE CA C 13 58.894 0.08 . 1 . 289 . . 30 ILE CA . 17166 1
348 . 1 1 30 30 ILE CB C 13 43.089 2.788 . 1 . 370 . . 30 ILE CB . 17166 1
349 . 1 1 30 30 ILE CD1 C 13 14.684 0.149 . 1 . 689 . . 30 ILE CD1 . 17166 1
350 . 1 1 30 30 ILE CG1 C 13 24.772 0.067 . 1 . 731 . . 30 ILE CG1 . 17166 1
351 . 1 1 30 30 ILE CG2 C 13 18.854 0.168 . 1 . 396 . . 30 ILE CG2 . 17166 1
352 . 1 1 30 30 ILE N N 15 111.918 0.07 . 1 . 138 . . 30 ILE N . 17166 1
353 . 1 1 31 31 GLU H H 1 7.979 0.01 . 1 . 225 . . 31 GLU H . 17166 1
354 . 1 1 31 31 GLU HA H 1 4.489 0.013 . 1 . 954 . . 31 GLU HA . 17166 1
355 . 1 1 31 31 GLU HB2 H 1 1.849 0.008 . 1 . 955 . . 31 GLU HB2 . 17166 1
356 . 1 1 31 31 GLU HB3 H 1 1.735 0.008 . 1 . 762 . . 31 GLU HB3 . 17166 1
357 . 1 1 31 31 GLU HG2 H 1 2.063 0.01 . 1 . 760 . . 31 GLU HG2 . 17166 1
358 . 1 1 31 31 GLU HG3 H 1 2.042 0.02 . 1 . 761 . . 31 GLU HG3 . 17166 1
359 . 1 1 31 31 GLU C C 13 175.312 0.012 . 1 . 789 . . 31 GLU C . 17166 1
360 . 1 1 31 31 GLU CA C 13 55.003 0.051 . 1 . 290 . . 31 GLU CA . 17166 1
361 . 1 1 31 31 GLU CB C 13 32.255 0.056 . 1 . 788 . . 31 GLU CB . 17166 1
362 . 1 1 31 31 GLU CG C 13 35.989 0.07 . 1 . 791 . . 31 GLU CG . 17166 1
363 . 1 1 31 31 GLU N N 15 121.274 0.084 . 1 . 226 . . 31 GLU N . 17166 1
364 . 1 1 32 32 VAL H H 1 8.383 0.012 . 1 . 27 . . 32 VAL H . 17166 1
365 . 1 1 32 32 VAL HA H 1 4.803 0.014 . 1 . 546 . . 32 VAL HA . 17166 1
366 . 1 1 32 32 VAL HB H 1 0.648 0.008 . 1 . 719 . . 32 VAL HB . 17166 1
367 . 1 1 32 32 VAL HG11 H 1 0.365 0.014 . 1 . 547 . . 32 VAL HG11 . 17166 1
368 . 1 1 32 32 VAL HG12 H 1 0.365 0.014 . 1 . 547 . . 32 VAL HG12 . 17166 1
369 . 1 1 32 32 VAL HG13 H 1 0.365 0.014 . 1 . 547 . . 32 VAL HG13 . 17166 1
370 . 1 1 32 32 VAL HG21 H 1 0.160 0.008 . 1 . 720 . . 32 VAL HG21 . 17166 1
371 . 1 1 32 32 VAL HG22 H 1 0.160 0.008 . 1 . 720 . . 32 VAL HG22 . 17166 1
372 . 1 1 32 32 VAL HG23 H 1 0.160 0.008 . 1 . 720 . . 32 VAL HG23 . 17166 1
373 . 1 1 32 32 VAL C C 13 174.241 0.030 . 1 . 790 . . 32 VAL C . 17166 1
374 . 1 1 32 32 VAL CA C 13 60.978 0.046 . 1 . 223 . . 32 VAL CA . 17166 1
375 . 1 1 32 32 VAL CB C 13 33.990 0.062 . 1 . 224 . . 32 VAL CB . 17166 1
376 . 1 1 32 32 VAL CG1 C 13 22.107 0.193 . 1 . 792 . . 32 VAL CG1 . 17166 1
377 . 1 1 32 32 VAL CG2 C 13 20.728 0.169 . 1 . 793 . . 32 VAL CG2 . 17166 1
378 . 1 1 32 32 VAL N N 15 127.339 0.03 . 1 . 28 . . 32 VAL N . 17166 1
379 . 1 1 33 33 ASP H H 1 8.995 0.011 . 1 . 59 . . 33 ASP H . 17166 1
380 . 1 1 33 33 ASP HA H 1 5.049 0.01 . 1 . 479 . . 33 ASP HA . 17166 1
381 . 1 1 33 33 ASP HB2 H 1 2.131 0.012 . 1 . 662 . . 33 ASP HB2 . 17166 1
382 . 1 1 33 33 ASP HB3 H 1 2.423 0.008 . 1 . 663 . . 33 ASP HB3 . 17166 1
383 . 1 1 33 33 ASP C C 13 174.350 0.037 . 1 . 861 . . 33 ASP C . 17166 1
384 . 1 1 33 33 ASP CA C 13 52.536 0.062 . 1 . 221 . . 33 ASP CA . 17166 1
385 . 1 1 33 33 ASP CB C 13 46.039 0.059 . 1 . 222 . . 33 ASP CB . 17166 1
386 . 1 1 33 33 ASP N N 15 123.728 0.025 . 1 . 60 . . 33 ASP N . 17166 1
387 . 1 1 34 34 LEU H H 1 8.998 0.013 . 1 . 89 . . 34 LEU H . 17166 1
388 . 1 1 34 34 LEU HA H 1 5.013 0.009 . 1 . 469 . . 34 LEU HA . 17166 1
389 . 1 1 34 34 LEU HB2 H 1 1.583 0.007 . 1 . 696 . . 34 LEU HB2 . 17166 1
390 . 1 1 34 34 LEU HB3 H 1 1.178 0.007 . 1 . 875 . . 34 LEU HB3 . 17166 1
391 . 1 1 34 34 LEU HD11 H 1 0.755 0.006 . 1 . 470 . . 34 LEU HD11 . 17166 1
392 . 1 1 34 34 LEU HD12 H 1 0.755 0.006 . 1 . 470 . . 34 LEU HD12 . 17166 1
393 . 1 1 34 34 LEU HD13 H 1 0.755 0.006 . 1 . 470 . . 34 LEU HD13 . 17166 1
394 . 1 1 34 34 LEU HD21 H 1 0.708 0.006 . 1 . 471 . . 34 LEU HD21 . 17166 1
395 . 1 1 34 34 LEU HD22 H 1 0.708 0.006 . 1 . 471 . . 34 LEU HD22 . 17166 1
396 . 1 1 34 34 LEU HD23 H 1 0.708 0.006 . 1 . 471 . . 34 LEU HD23 . 17166 1
397 . 1 1 34 34 LEU HG H 1 1.585 0.009 . 1 . 876 . . 34 LEU HG . 17166 1
398 . 1 1 34 34 LEU C C 13 174.592 0.049 . 1 . 879 . . 34 LEU C . 17166 1
399 . 1 1 34 34 LEU CA C 13 53.604 0.08 . 1 . 219 . . 34 LEU CA . 17166 1
400 . 1 1 34 34 LEU CB C 13 43.304 0.038 . 1 . 220 . . 34 LEU CB . 17166 1
401 . 1 1 34 34 LEU CD1 C 13 24.784 0.135 . 1 . 695 . . 34 LEU CD1 . 17166 1
402 . 1 1 34 34 LEU CD2 C 13 26.372 0.125 . 1 . 878 . . 34 LEU CD2 . 17166 1
403 . 1 1 34 34 LEU CG C 13 27.756 0.155 . 1 . 877 . . 34 LEU CG . 17166 1
404 . 1 1 34 34 LEU N N 15 121.299 0.076 . 1 . 90 . . 34 LEU N . 17166 1
405 . 1 1 35 35 LEU H H 1 8.992 0.012 . 1 . 99 . . 35 LEU H . 17166 1
406 . 1 1 35 35 LEU HA H 1 4.989 0.013 . 1 . 480 . . 35 LEU HA . 17166 1
407 . 1 1 35 35 LEU HB2 H 1 1.596 0.008 . 1 . 698 . . 35 LEU HB2 . 17166 1
408 . 1 1 35 35 LEU HB3 H 1 0.760 0.008 . 1 . 880 . . 35 LEU HB3 . 17166 1
409 . 1 1 35 35 LEU HD11 H 1 0.591 0.01 . 1 . 881 . . 35 LEU HD11 . 17166 1
410 . 1 1 35 35 LEU HD12 H 1 0.591 0.01 . 1 . 881 . . 35 LEU HD12 . 17166 1
411 . 1 1 35 35 LEU HD13 H 1 0.591 0.01 . 1 . 881 . . 35 LEU HD13 . 17166 1
412 . 1 1 35 35 LEU HD21 H 1 0.375 0.008 . 1 . 883 . . 35 LEU HD21 . 17166 1
413 . 1 1 35 35 LEU HD22 H 1 0.375 0.008 . 1 . 883 . . 35 LEU HD22 . 17166 1
414 . 1 1 35 35 LEU HD23 H 1 0.375 0.008 . 1 . 883 . . 35 LEU HD23 . 17166 1
415 . 1 1 35 35 LEU HG H 1 1.173 0.006 . 1 . 699 . . 35 LEU HG . 17166 1
416 . 1 1 35 35 LEU C C 13 175.537 0.030 . 1 . 885 . . 35 LEU C . 17166 1
417 . 1 1 35 35 LEU CA C 13 52.775 0.075 . 1 . 217 . . 35 LEU CA . 17166 1
418 . 1 1 35 35 LEU CB C 13 45.538 0.071 . 1 . 218 . . 35 LEU CB . 17166 1
419 . 1 1 35 35 LEU CD1 C 13 26.086 0.044 . 1 . 884 . . 35 LEU CD1 . 17166 1
420 . 1 1 35 35 LEU CD2 C 13 22.580 0.134 . 1 . 697 . . 35 LEU CD2 . 17166 1
421 . 1 1 35 35 LEU CG C 13 26.778 0.056 . 1 . 882 . . 35 LEU CG . 17166 1
422 . 1 1 35 35 LEU N N 15 120.224 0.037 . 1 . 100 . . 35 LEU N . 17166 1
423 . 1 1 36 36 LYS H H 1 8.912 0.012 . 1 . 91 . . 36 LYS H . 17166 1
424 . 1 1 36 36 LYS HA H 1 4.369 0.01 . 1 . 501 . . 36 LYS HA . 17166 1
425 . 1 1 36 36 LYS HB2 H 1 1.758 0.006 . 1 . 1163 . . 36 LYS HB2 . 17166 1
426 . 1 1 36 36 LYS HB3 H 1 1.449 0.007 . 1 . 764 . . 36 LYS HB3 . 17166 1
427 . 1 1 36 36 LYS HD2 H 1 1.623 0.012 . 1 . 972 . . 36 LYS HD2 . 17166 1
428 . 1 1 36 36 LYS HD3 H 1 1.758 0.006 . 1 . 973 . . 36 LYS HD3 . 17166 1
429 . 1 1 36 36 LYS HE2 H 1 2.834 0.007 . 1 . 503 . . 36 LYS HE2 . 17166 1
430 . 1 1 36 36 LYS HE3 H 1 2.759 0.011 . 1 . 502 . . 36 LYS HE3 . 17166 1
431 . 1 1 36 36 LYS HG2 H 1 0.797 0.011 . 1 . 970 . . 36 LYS HG2 . 17166 1
432 . 1 1 36 36 LYS HG3 H 1 0.590 0.007 . 1 . 971 . . 36 LYS HG3 . 17166 1
433 . 1 1 36 36 LYS C C 13 176.494 0.027 . 1 . 857 . . 36 LYS C . 17166 1
434 . 1 1 36 36 LYS CA C 13 54.223 0.076 . 1 . 152 . . 36 LYS CA . 17166 1
435 . 1 1 36 36 LYS CB C 13 34.207 0.07 . 1 . 216 . . 36 LYS CB . 17166 1
436 . 1 1 36 36 LYS CD C 13 29.826 0.016 . 1 . 412 . . 36 LYS CD . 17166 1
437 . 1 1 36 36 LYS CE C 13 41.897 0.103 . 1 . 411 . . 36 LYS CE . 17166 1
438 . 1 1 36 36 LYS CG C 13 25.398 0.111 . 1 . 413 . . 36 LYS CG . 17166 1
439 . 1 1 36 36 LYS N N 15 121.275 0.109 . 1 . 92 . . 36 LYS N . 17166 1
440 . 1 1 37 37 ASN H H 1 9.822 0.011 . 1 . 11 . . 37 ASN H . 17166 1
441 . 1 1 37 37 ASN HA H 1 4.358 0.01 . 1 . 432 . . 37 ASN HA . 17166 1
442 . 1 1 37 37 ASN HB2 H 1 2.912 0.011 . 1 . 433 . . 37 ASN HB2 . 17166 1
443 . 1 1 37 37 ASN HB3 H 1 2.851 0.011 . 1 . 434 . . 37 ASN HB3 . 17166 1
444 . 1 1 37 37 ASN HD21 H 1 7.834 0.005 . 1 . 1139 . . 37 ASN HD21 . 17166 1
445 . 1 1 37 37 ASN HD22 H 1 8.056 0.009 . 1 . 1141 . . 37 ASN HD22 . 17166 1
446 . 1 1 37 37 ASN C C 13 175.729 0.002 . 1 . 858 . . 37 ASN C . 17166 1
447 . 1 1 37 37 ASN CA C 13 54.558 0.064 . 1 . 150 . . 37 ASN CA . 17166 1
448 . 1 1 37 37 ASN CB C 13 37.359 0.063 . 1 . 151 . . 37 ASN CB . 17166 1
449 . 1 1 37 37 ASN N N 15 128.370 0.036 . 1 . 12 . . 37 ASN N . 17166 1
450 . 1 1 37 37 ASN ND2 N 15 118.199 0.03 . 1 . 1140 . . 37 ASN ND2 . 17166 1
451 . 1 1 38 38 GLY H H 1 8.913 0.009 . 1 . 147 . . 38 GLY H . 17166 1
452 . 1 1 38 38 GLY HA2 H 1 3.315 0.015 . 1 . 679 . . 38 GLY HA2 . 17166 1
453 . 1 1 38 38 GLY HA3 H 1 4.164 0.015 . 1 . 484 . . 38 GLY HA3 . 17166 1
454 . 1 1 38 38 GLY C C 13 173.098 0.030 . 1 . 956 . . 38 GLY C . 17166 1
455 . 1 1 38 38 GLY CA C 13 45.347 0.089 . 1 . 149 . . 38 GLY CA . 17166 1
456 . 1 1 38 38 GLY N N 15 102.382 0.026 . 1 . 148 . . 38 GLY N . 17166 1
457 . 1 1 39 39 GLU H H 1 7.879 0.012 . 1 . 95 . . 39 GLU H . 17166 1
458 . 1 1 39 39 GLU HA H 1 4.566 0.01 . 1 . 537 . . 39 GLU HA . 17166 1
459 . 1 1 39 39 GLU HB2 H 1 2.041 0.006 . 1 . 742 . . 39 GLU HB2 . 17166 1
460 . 1 1 39 39 GLU HB3 H 1 1.962 0.02 . 1 . 743 . . 39 GLU HB3 . 17166 1
461 . 1 1 39 39 GLU HG2 H 1 2.288 0.01 . 1 . 744 . . 39 GLU HG2 . 17166 1
462 . 1 1 39 39 GLU HG3 H 1 2.152 0.008 . 1 . 745 . . 39 GLU HG3 . 17166 1
463 . 1 1 39 39 GLU C C 13 175.886 0.061 . 1 . 840 . . 39 GLU C . 17166 1
464 . 1 1 39 39 GLU CA C 13 54.339 0.085 . 1 . 214 . . 39 GLU CA . 17166 1
465 . 1 1 39 39 GLU CB C 13 31.701 0.138 . 1 . 215 . . 39 GLU CB . 17166 1
466 . 1 1 39 39 GLU CG C 13 35.958 0.083 . 1 . 427 . . 39 GLU CG . 17166 1
467 . 1 1 39 39 GLU N N 15 120.905 0.016 . 1 . 96 . . 39 GLU N . 17166 1
468 . 1 1 40 40 ARG H H 1 8.756 0.008 . 1 . 57 . . 40 ARG H . 17166 1
469 . 1 1 40 40 ARG HA H 1 4.135 0.008 . 1 . 656 . . 40 ARG HA . 17166 1
470 . 1 1 40 40 ARG HB2 H 1 1.617 0.008 . 1 . 833 . . 40 ARG HB2 . 17166 1
471 . 1 1 40 40 ARG HB3 H 1 1.626 0.007 . 1 . 834 . . 40 ARG HB3 . 17166 1
472 . 1 1 40 40 ARG HD2 H 1 3.131 0.006 . 1 . 837 . . 40 ARG HD2 . 17166 1
473 . 1 1 40 40 ARG HD3 H 1 3.033 0.008 . 1 . 838 . . 40 ARG HD3 . 17166 1
474 . 1 1 40 40 ARG HG2 H 1 1.521 0.004 . 1 . 835 . . 40 ARG HG2 . 17166 1
475 . 1 1 40 40 ARG HG3 H 1 1.305 0.006 . 1 . 836 . . 40 ARG HG3 . 17166 1
476 . 1 1 40 40 ARG C C 13 176.398 0.026 . 1 . 839 . . 40 ARG C . 17166 1
477 . 1 1 40 40 ARG CA C 13 57.815 0.095 . 1 . 213 . . 40 ARG CA . 17166 1
478 . 1 1 40 40 ARG CB C 13 30.670 0.036 . 1 . 307 . . 40 ARG CB . 17166 1
479 . 1 1 40 40 ARG CD C 13 43.432 0.068 . 1 . 402 . . 40 ARG CD . 17166 1
480 . 1 1 40 40 ARG CG C 13 28.034 0.111 . 1 . 403 . . 40 ARG CG . 17166 1
481 . 1 1 40 40 ARG N N 15 123.879 0.023 . 1 . 58 . . 40 ARG N . 17166 1
482 . 1 1 41 41 ILE H H 1 8.883 0.011 . 1 . 13 . . 41 ILE H . 17166 1
483 . 1 1 41 41 ILE HA H 1 3.998 0.01 . 1 . 529 . . 41 ILE HA . 17166 1
484 . 1 1 41 41 ILE HB H 1 1.562 0.007 . 1 . 692 . . 41 ILE HB . 17166 1
485 . 1 1 41 41 ILE HD11 H 1 0.842 0.006 . 1 . 735 . . 41 ILE HD11 . 17166 1
486 . 1 1 41 41 ILE HD12 H 1 0.842 0.006 . 1 . 735 . . 41 ILE HD12 . 17166 1
487 . 1 1 41 41 ILE HD13 H 1 0.842 0.006 . 1 . 735 . . 41 ILE HD13 . 17166 1
488 . 1 1 41 41 ILE HG12 H 1 1.707 0.009 . 1 . 962 . . 41 ILE HG12 . 17166 1
489 . 1 1 41 41 ILE HG13 H 1 1.041 0.01 . 1 . 733 . . 41 ILE HG13 . 17166 1
490 . 1 1 41 41 ILE HG21 H 1 1.004 0.007 . 1 . 732 . . 41 ILE HG21 . 17166 1
491 . 1 1 41 41 ILE HG22 H 1 1.004 0.007 . 1 . 732 . . 41 ILE HG22 . 17166 1
492 . 1 1 41 41 ILE HG23 H 1 1.004 0.007 . 1 . 732 . . 41 ILE HG23 . 17166 1
493 . 1 1 41 41 ILE C C 13 176.430 0.025 . 1 . 959 . . 41 ILE C . 17166 1
494 . 1 1 41 41 ILE CA C 13 61.891 0.047 . 1 . 211 . . 41 ILE CA . 17166 1
495 . 1 1 41 41 ILE CB C 13 38.933 0.059 . 1 . 212 . . 41 ILE CB . 17166 1
496 . 1 1 41 41 ILE CD1 C 13 13.897 0.149 . 1 . 734 . . 41 ILE CD1 . 17166 1
497 . 1 1 41 41 ILE CG1 C 13 28.337 0.132 . 1 . 691 . . 41 ILE CG1 . 17166 1
498 . 1 1 41 41 ILE CG2 C 13 17.924 0.135 . 1 . 419 . . 41 ILE CG2 . 17166 1
499 . 1 1 41 41 ILE N N 15 128.312 0.048 . 1 . 14 . . 41 ILE N . 17166 1
500 . 1 1 42 42 GLU H H 1 8.608 0.01 . 1 . 33 . . 42 GLU H . 17166 1
501 . 1 1 42 42 GLU HA H 1 4.087 0.014 . 1 . 460 . . 42 GLU HA . 17166 1
502 . 1 1 42 42 GLU HB2 H 1 2.086 0.008 . 1 . 746 . . 42 GLU HB2 . 17166 1
503 . 1 1 42 42 GLU HB3 H 1 2.014 0.011 . 1 . 747 . . 42 GLU HB3 . 17166 1
504 . 1 1 42 42 GLU HG2 H 1 2.351 0.008 . 1 . 749 . . 42 GLU HG2 . 17166 1
505 . 1 1 42 42 GLU HG3 H 1 2.239 0.009 . 1 . 748 . . 42 GLU HG3 . 17166 1
506 . 1 1 42 42 GLU C C 13 176.872 0.028 . 1 . 958 . . 42 GLU C . 17166 1
507 . 1 1 42 42 GLU CA C 13 59.000 0.061 . 1 . 209 . . 42 GLU CA . 17166 1
508 . 1 1 42 42 GLU CB C 13 30.525 0.041 . 1 . 210 . . 42 GLU CB . 17166 1
509 . 1 1 42 42 GLU CG C 13 36.564 0.106 . 1 . 388 . . 42 GLU CG . 17166 1
510 . 1 1 42 42 GLU N N 15 125.934 0.03 . 1 . 34 . . 42 GLU N . 17166 1
511 . 1 1 43 43 LYS H H 1 8.061 0.008 . 1 . 111 . . 43 LYS H . 17166 1
512 . 1 1 43 43 LYS HA H 1 4.483 0.016 . 1 . 639 . . 43 LYS HA . 17166 1
513 . 1 1 43 43 LYS HB2 H 1 1.928 0.006 . 1 . 974 . . 43 LYS HB2 . 17166 1
514 . 1 1 43 43 LYS HB3 H 1 1.754 0.007 . 1 . 975 . . 43 LYS HB3 . 17166 1
515 . 1 1 43 43 LYS HD2 H 1 1.712 0.008 . 1 . 642 . . 43 LYS HD2 . 17166 1
516 . 1 1 43 43 LYS HD3 H 1 1.711 0.008 . 1 . 643 . . 43 LYS HD3 . 17166 1
517 . 1 1 43 43 LYS HE2 H 1 3.001 0.014 . 1 . 495 . . 43 LYS HE2 . 17166 1
518 . 1 1 43 43 LYS HE3 H 1 3.001 0.013 . 1 . 496 . . 43 LYS HE3 . 17166 1
519 . 1 1 43 43 LYS HG2 H 1 1.389 0.01 . 1 . 640 . . 43 LYS HG2 . 17166 1
520 . 1 1 43 43 LYS HG3 H 1 1.390 0.011 . 1 . 641 . . 43 LYS HG3 . 17166 1
521 . 1 1 43 43 LYS C C 13 174.442 0.018 . 1 . 795 . . 43 LYS C . 17166 1
522 . 1 1 43 43 LYS CA C 13 55.850 0.038 . 1 . 207 . . 43 LYS CA . 17166 1
523 . 1 1 43 43 LYS CB C 13 31.518 0.061 . 1 . 208 . . 43 LYS CB . 17166 1
524 . 1 1 43 43 LYS CD C 13 28.972 0.036 . 1 . 397 . . 43 LYS CD . 17166 1
525 . 1 1 43 43 LYS CE C 13 42.084 0.073 . 1 . 796 . . 43 LYS CE . 17166 1
526 . 1 1 43 43 LYS CG C 13 24.894 0.026 . 1 . 398 . . 43 LYS CG . 17166 1
527 . 1 1 43 43 LYS N N 15 119.107 0.031 . 1 . 112 . . 43 LYS N . 17166 1
528 . 1 1 44 44 VAL H H 1 8.115 0.014 . 1 . 37 . . 44 VAL H . 17166 1
529 . 1 1 44 44 VAL HA H 1 4.256 0.019 . 1 . 568 . . 44 VAL HA . 17166 1
530 . 1 1 44 44 VAL HB H 1 2.028 0.011 . 1 . 509 . . 44 VAL HB . 17166 1
531 . 1 1 44 44 VAL HG11 H 1 0.964 0.012 . 1 . 510 . . 44 VAL HG11 . 17166 1
532 . 1 1 44 44 VAL HG12 H 1 0.964 0.012 . 1 . 510 . . 44 VAL HG12 . 17166 1
533 . 1 1 44 44 VAL HG13 H 1 0.964 0.012 . 1 . 510 . . 44 VAL HG13 . 17166 1
534 . 1 1 44 44 VAL HG21 H 1 1.044 0.008 . 1 . 511 . . 44 VAL HG21 . 17166 1
535 . 1 1 44 44 VAL HG22 H 1 1.044 0.008 . 1 . 511 . . 44 VAL HG22 . 17166 1
536 . 1 1 44 44 VAL HG23 H 1 1.044 0.008 . 1 . 511 . . 44 VAL HG23 . 17166 1
537 . 1 1 44 44 VAL C C 13 175.487 0.023 . 1 . 794 . . 44 VAL C . 17166 1
538 . 1 1 44 44 VAL CA C 13 61.861 0.069 . 1 . 206 . . 44 VAL CA . 17166 1
539 . 1 1 44 44 VAL CB C 13 34.496 0.152 . 1 . 569 . . 44 VAL CB . 17166 1
540 . 1 1 44 44 VAL CG1 C 13 22.473 0.033 . 1 . 405 . . 44 VAL CG1 . 17166 1
541 . 1 1 44 44 VAL CG2 C 13 22.103 0.103 . 1 . 404 . . 44 VAL CG2 . 17166 1
542 . 1 1 44 44 VAL N N 15 125.525 0.025 . 1 . 38 . . 44 VAL N . 17166 1
543 . 1 1 45 45 GLU H H 1 8.705 0.015 . 1 . 21 . . 45 GLU H . 17166 1
544 . 1 1 45 45 GLU HA H 1 4.497 0.017 . 1 . 454 . . 45 GLU HA . 17166 1
545 . 1 1 45 45 GLU HB2 H 1 0.463 0.023 . 1 . 1172 . . 45 GLU HB2 . 17166 1
546 . 1 1 45 45 GLU HB3 H 1 1.542 0.012 . 1 . 754 . . 45 GLU HB3 . 17166 1
547 . 1 1 45 45 GLU HG2 H 1 2.027 0.012 . 1 . 676 . . 45 GLU HG2 . 17166 1
548 . 1 1 45 45 GLU HG3 H 1 2.025 0.009 . 1 . 677 . . 45 GLU HG3 . 17166 1
549 . 1 1 45 45 GLU C C 13 174.233 0.038 . 1 . 821 . . 45 GLU C . 17166 1
550 . 1 1 45 45 GLU CA C 13 54.529 0.051 . 1 . 204 . . 45 GLU CA . 17166 1
551 . 1 1 45 45 GLU CB C 13 31.340 0.113 . 1 . 205 . . 45 GLU CB . 17166 1
552 . 1 1 45 45 GLU CG C 13 36.111 0.046 . 1 . 384 . . 45 GLU CG . 17166 1
553 . 1 1 45 45 GLU N N 15 127.599 0.034 . 1 . 22 . . 45 GLU N . 17166 1
554 . 1 1 46 46 HIS H H 1 8.408 0.012 . 1 . 123 . . 46 HIS H . 17166 1
555 . 1 1 46 46 HIS HA H 1 5.565 0.01 . 1 . 576 . . 46 HIS HA . 17166 1
556 . 1 1 46 46 HIS HB2 H 1 2.695 0.021 . 1 . 466 . . 46 HIS HB2 . 17166 1
557 . 1 1 46 46 HIS HB3 H 1 2.695 0.02 . 1 . 467 . . 46 HIS HB3 . 17166 1
558 . 1 1 46 46 HIS HD2 H 1 6.632 0.014 . 1 . 767 . . 46 HIS HD2 . 17166 1
559 . 1 1 46 46 HIS C C 13 174.879 0.013 . 1 . 822 . . 46 HIS C . 17166 1
560 . 1 1 46 46 HIS CA C 13 54.064 0.094 . 1 . 202 . . 46 HIS CA . 17166 1
561 . 1 1 46 46 HIS CB C 13 32.330 0.14 . 1 . 203 . . 46 HIS CB . 17166 1
562 . 1 1 46 46 HIS CD2 C 13 125.542 0.132 . 1 . 1170 . . 46 HIS CD2 . 17166 1
563 . 1 1 46 46 HIS N N 15 116.755 0.132 . 1 . 124 . . 46 HIS N . 17166 1
564 . 1 1 47 47 SER H H 1 8.819 0.008 . 1 . 113 . . 47 SER H . 17166 1
565 . 1 1 47 47 SER HA H 1 4.389 0.015 . 1 . 584 . . 47 SER HA . 17166 1
566 . 1 1 47 47 SER HB2 H 1 3.635 0.014 . 1 . 565 . . 47 SER HB2 . 17166 1
567 . 1 1 47 47 SER HB3 H 1 3.505 0.007 . 1 . 566 . . 47 SER HB3 . 17166 1
568 . 1 1 47 47 SER C C 13 171.842 0.030 . 1 . 991 . . 47 SER C . 17166 1
569 . 1 1 47 47 SER CA C 13 57.306 0.044 . 1 . 200 . . 47 SER CA . 17166 1
570 . 1 1 47 47 SER CB C 13 66.109 0.015 . 1 . 201 . . 47 SER CB . 17166 1
571 . 1 1 47 47 SER N N 15 119.035 0.041 . 1 . 114 . . 47 SER N . 17166 1
572 . 1 1 48 48 ASP H H 1 8.263 0.019 . 1 . 347 . . 48 ASP H . 17166 1
573 . 1 1 48 48 ASP HA H 1 4.735 0.028 . 1 . 921 . . 48 ASP HA . 17166 1
574 . 1 1 48 48 ASP HB2 H 1 2.997 0.01 . 1 . 922 . . 48 ASP HB2 . 17166 1
575 . 1 1 48 48 ASP HB3 H 1 2.572 0.013 . 1 . 924 . . 48 ASP HB3 . 17166 1
576 . 1 1 48 48 ASP C C 13 176.633 0.030 . 1 . 928 . . 48 ASP C . 17166 1
577 . 1 1 48 48 ASP CA C 13 54.074 0.041 . 1 . 925 . . 48 ASP CA . 17166 1
578 . 1 1 48 48 ASP CB C 13 40.518 0.052 . 1 . 923 . . 48 ASP CB . 17166 1
579 . 1 1 48 48 ASP N N 15 122.240 0.057 . 1 . 348 . . 48 ASP N . 17166 1
580 . 1 1 49 49 LEU H H 1 8.463 0.009 . 1 . 926 . . 49 LEU H . 17166 1
581 . 1 1 49 49 LEU HA H 1 4.583 0.006 . 1 . 911 . . 49 LEU HA . 17166 1
582 . 1 1 49 49 LEU HB2 H 1 1.575 0.008 . 1 . 912 . . 49 LEU HB2 . 17166 1
583 . 1 1 49 49 LEU HB3 H 1 1.501 0.011 . 1 . 914 . . 49 LEU HB3 . 17166 1
584 . 1 1 49 49 LEU HD11 H 1 0.795 0.006 . 1 . 916 . . 49 LEU HD11 . 17166 1
585 . 1 1 49 49 LEU HD12 H 1 0.795 0.006 . 1 . 916 . . 49 LEU HD12 . 17166 1
586 . 1 1 49 49 LEU HD13 H 1 0.795 0.006 . 1 . 916 . . 49 LEU HD13 . 17166 1
587 . 1 1 49 49 LEU HD21 H 1 0.769 0.008 . 1 . 918 . . 49 LEU HD21 . 17166 1
588 . 1 1 49 49 LEU HD22 H 1 0.769 0.008 . 1 . 918 . . 49 LEU HD22 . 17166 1
589 . 1 1 49 49 LEU HD23 H 1 0.769 0.008 . 1 . 918 . . 49 LEU HD23 . 17166 1
590 . 1 1 49 49 LEU HG H 1 1.462 0.007 . 1 . 920 . . 49 LEU HG . 17166 1
591 . 1 1 49 49 LEU CA C 13 54.168 0.032 . 1 . 910 . . 49 LEU CA . 17166 1
592 . 1 1 49 49 LEU CB C 13 42.049 0.045 . 1 . 913 . . 49 LEU CB . 17166 1
593 . 1 1 49 49 LEU CD1 C 13 26.575 0.147 . 1 . 915 . . 49 LEU CD1 . 17166 1
594 . 1 1 49 49 LEU CD2 C 13 23.214 0.04 . 1 . 917 . . 49 LEU CD2 . 17166 1
595 . 1 1 49 49 LEU CG C 13 26.908 0.01 . 1 . 919 . . 49 LEU CG . 17166 1
596 . 1 1 49 49 LEU N N 15 127.815 0.039 . 1 . 927 . . 49 LEU N . 17166 1
597 . 1 1 50 50 SER H H 1 8.892 0.005 . 1 . 1182 . . 50 SER H . 17166 1
598 . 1 1 50 50 SER HA H 1 4.157 0.004 . 1 . 943 . . 50 SER HA . 17166 1
599 . 1 1 50 50 SER HB2 H 1 3.719 0.005 . 1 . 986 . . 50 SER HB2 . 17166 1
600 . 1 1 50 50 SER HB3 H 1 3.651 0.007 . 1 . 987 . . 50 SER HB3 . 17166 1
601 . 1 1 50 50 SER C C 13 173.763 0.030 . 1 . 942 . . 50 SER C . 17166 1
602 . 1 1 50 50 SER CA C 13 61.291 0.116 . 1 . 1184 . . 50 SER CA . 17166 1
603 . 1 1 50 50 SER N N 15 120.384 0.015 . 1 . 1183 . . 50 SER N . 17166 1
604 . 1 1 51 51 PHE H H 1 8.324 0.007 . 1 . 107 . . 51 PHE H . 17166 1
605 . 1 1 51 51 PHE CA C 13 58.344 0.03 . 1 . 1185 . . 51 PHE CA . 17166 1
606 . 1 1 51 51 PHE N N 15 119.299 0.092 . 1 . 108 . . 51 PHE N . 17166 1
607 . 1 1 52 52 SER H H 1 7.751 0.02 . 1 . 1187 . . 52 SER H . 17166 1
608 . 1 1 52 52 SER CA C 13 58.178 0.030 . 1 . 1188 . . 52 SER CA . 17166 1
609 . 1 1 52 52 SER N N 15 116.392 0.047 . 1 . 1186 . . 52 SER N . 17166 1
610 . 1 1 53 53 LYS HA H 1 4.194 0.008 . 1 . 976 . . 53 LYS HA . 17166 1
611 . 1 1 53 53 LYS HB2 H 1 1.578 0.021 . 1 . 978 . . 53 LYS HB2 . 17166 1
612 . 1 1 53 53 LYS HB3 H 1 1.578 0.021 . 1 . 979 . . 53 LYS HB3 . 17166 1
613 . 1 1 53 53 LYS HD2 H 1 1.444 0.01 . 1 . 980 . . 53 LYS HD2 . 17166 1
614 . 1 1 53 53 LYS HD3 H 1 1.344 0.009 . 1 . 981 . . 53 LYS HD3 . 17166 1
615 . 1 1 53 53 LYS HE2 H 1 2.587 0.013 . 1 . 982 . . 53 LYS HE2 . 17166 1
616 . 1 1 53 53 LYS HE3 H 1 2.587 0.013 . 1 . 983 . . 53 LYS HE3 . 17166 1
617 . 1 1 53 53 LYS HG2 H 1 1.119 0.012 . 1 . 984 . . 53 LYS HG2 . 17166 1
618 . 1 1 53 53 LYS HG3 H 1 1.120 0.012 . 1 . 985 . . 53 LYS HG3 . 17166 1
619 . 1 1 53 53 LYS C C 13 176.158 0.030 . 1 . 818 . . 53 LYS C . 17166 1
620 . 1 1 53 53 LYS CA C 13 57.078 0.062 . 1 . 1180 . . 53 LYS CA . 17166 1
621 . 1 1 53 53 LYS CB C 13 29.903 0.030 . 1 . 1181 . . 53 LYS CB . 17166 1
622 . 1 1 53 53 LYS CD C 13 28.613 0.06 . 1 . 816 . . 53 LYS CD . 17166 1
623 . 1 1 53 53 LYS CE C 13 41.944 0.102 . 1 . 977 . . 53 LYS CE . 17166 1
624 . 1 1 53 53 LYS CG C 13 24.257 0.031 . 1 . 817 . . 53 LYS CG . 17166 1
625 . 1 1 54 54 ASP H H 1 8.025 0.017 . 1 . 813 . . 54 ASP H . 17166 1
626 . 1 1 54 54 ASP HA H 1 4.559 0.030 . 1 . 1189 . . 54 ASP HA . 17166 1
627 . 1 1 54 54 ASP HB2 H 1 2.605 0.021 . 1 . 864 . . 54 ASP HB2 . 17166 1
628 . 1 1 54 54 ASP HB3 H 1 2.466 0.01 . 1 . 865 . . 54 ASP HB3 . 17166 1
629 . 1 1 54 54 ASP C C 13 175.478 0.054 . 1 . 811 . . 54 ASP C . 17166 1
630 . 1 1 54 54 ASP CA C 13 54.518 0.198 . 1 . 810 . . 54 ASP CA . 17166 1
631 . 1 1 54 54 ASP CB C 13 41.256 0.084 . 1 . 1179 . . 54 ASP CB . 17166 1
632 . 1 1 54 54 ASP N N 15 118.624 0.079 . 1 . 812 . . 54 ASP N . 17166 1
633 . 1 1 55 55 TRP H H 1 7.931 0.009 . 1 . 303 . . 55 TRP H . 17166 1
634 . 1 1 55 55 TRP HA H 1 4.696 0.024 . 1 . 807 . . 55 TRP HA . 17166 1
635 . 1 1 55 55 TRP HB2 H 1 3.314 0.004 . 1 . 1069 . . 55 TRP HB2 . 17166 1
636 . 1 1 55 55 TRP HB3 H 1 3.208 0.01 . 1 . 1068 . . 55 TRP HB3 . 17166 1
637 . 1 1 55 55 TRP HD1 H 1 7.116 0.014 . 1 . 1148 . . 55 TRP HD1 . 17166 1
638 . 1 1 55 55 TRP HE1 H 1 9.982 0.016 . 1 . 7 . . 55 TRP HE1 . 17166 1
639 . 1 1 55 55 TRP HE3 H 1 7.491 0.011 . 1 . 1153 . . 55 TRP HE3 . 17166 1
640 . 1 1 55 55 TRP HH2 H 1 7.198 0.031 . 1 . 1112 . . 55 TRP HH2 . 17166 1
641 . 1 1 55 55 TRP HZ2 H 1 7.328 0.001 . 1 . 1110 . . 55 TRP HZ2 . 17166 1
642 . 1 1 55 55 TRP HZ3 H 1 7.038 0.02 . 1 . 1151 . . 55 TRP HZ3 . 17166 1
643 . 1 1 55 55 TRP C C 13 174.562 0.030 . 1 . 989 . . 55 TRP C . 17166 1
644 . 1 1 55 55 TRP CA C 13 57.054 0.145 . 1 . 1067 . . 55 TRP CA . 17166 1
645 . 1 1 55 55 TRP CB C 13 30.967 0.030 . 1 . 1176 . . 55 TRP CB . 17166 1
646 . 1 1 55 55 TRP CD1 C 13 126.702 0.183 . 1 . 1149 . . 55 TRP CD1 . 17166 1
647 . 1 1 55 55 TRP CE3 C 13 120.557 0.211 . 1 . 1154 . . 55 TRP CE3 . 17166 1
648 . 1 1 55 55 TRP CH2 C 13 124.217 0.19 . 1 . 1150 . . 55 TRP CH2 . 17166 1
649 . 1 1 55 55 TRP CZ2 C 13 114.158 0.158 . 1 . 1111 . . 55 TRP CZ2 . 17166 1
650 . 1 1 55 55 TRP CZ3 C 13 121.453 0.159 . 1 . 1152 . . 55 TRP CZ3 . 17166 1
651 . 1 1 55 55 TRP N N 15 119.784 0.12 . 1 . 304 . . 55 TRP N . 17166 1
652 . 1 1 55 55 TRP NE1 N 15 128.622 0.032 . 1 . 8 . . 55 TRP NE1 . 17166 1
653 . 1 1 56 56 SER H H 1 7.645 0.030 . 1 . 1193 . . 56 SER H . 17166 1
654 . 1 1 56 56 SER HA H 1 4.183 0.018 . 1 . 1190 . . 56 SER HA . 17166 1
655 . 1 1 56 56 SER HB2 H 1 3.758 0.011 . 1 . 1195 . . 56 SER HB2 . 17166 1
656 . 1 1 56 56 SER HB3 H 1 3.688 0.022 . 1 . 1196 . . 56 SER HB3 . 17166 1
657 . 1 1 56 56 SER CA C 13 57.939 0.028 . 1 . 1191 . . 56 SER CA . 17166 1
658 . 1 1 56 56 SER CB C 13 63.536 0.030 . 1 . 1192 . . 56 SER CB . 17166 1
659 . 1 1 56 56 SER N N 15 115.535 0.030 . 1 . 1194 . . 56 SER N . 17166 1
660 . 1 1 57 57 PHE H H 1 7.889 0.008 . 1 . 938 . . 57 PHE H . 17166 1
661 . 1 1 57 57 PHE HA H 1 4.827 0.014 . 1 . 937 . . 57 PHE HA . 17166 1
662 . 1 1 57 57 PHE HB2 H 1 3.029 0.012 . 1 . 935 . . 57 PHE HB2 . 17166 1
663 . 1 1 57 57 PHE HB3 H 1 2.587 0.013 . 1 . 936 . . 57 PHE HB3 . 17166 1
664 . 1 1 57 57 PHE HD1 H 1 7.116 0.01 . 3 . 1080 . . 57 PHE HD1 . 17166 1
665 . 1 1 57 57 PHE HD2 H 1 7.116 0.01 . 3 . 1080 . . 57 PHE HD2 . 17166 1
666 . 1 1 57 57 PHE HE1 H 1 7.399 0.012 . 3 . 1113 . . 57 PHE HE1 . 17166 1
667 . 1 1 57 57 PHE HE2 H 1 7.399 0.012 . 3 . 1113 . . 57 PHE HE2 . 17166 1
668 . 1 1 57 57 PHE HZ H 1 7.022 0.012 . 1 . 1159 . . 57 PHE HZ . 17166 1
669 . 1 1 57 57 PHE CA C 13 57.851 0.071 . 1 . 933 . . 57 PHE CA . 17166 1
670 . 1 1 57 57 PHE CB C 13 41.194 0.045 . 1 . 934 . . 57 PHE CB . 17166 1
671 . 1 1 57 57 PHE CD1 C 13 131.415 0.156 . 3 . 1119 . . 57 PHE CD1 . 17166 1
672 . 1 1 57 57 PHE CD2 C 13 131.415 0.156 . 3 . 1119 . . 57 PHE CD2 . 17166 1
673 . 1 1 57 57 PHE CE1 C 13 131.219 0.118 . 3 . 1114 . . 57 PHE CE1 . 17166 1
674 . 1 1 57 57 PHE CE2 C 13 131.219 0.118 . 3 . 1114 . . 57 PHE CE2 . 17166 1
675 . 1 1 57 57 PHE CZ C 13 130.715 0.151 . 1 . 1160 . . 57 PHE CZ . 17166 1
676 . 1 1 57 57 PHE N N 15 119.972 0.06 . 1 . 939 . . 57 PHE N . 17166 1
677 . 1 1 58 58 TYR H H 1 7.796 0.014 . 1 . 334 . . 58 TYR H . 17166 1
678 . 1 1 58 58 TYR HA H 1 5.064 0.009 . 1 . 709 . . 58 TYR HA . 17166 1
679 . 1 1 58 58 TYR HB2 H 1 2.672 0.011 . 1 . 711 . . 58 TYR HB2 . 17166 1
680 . 1 1 58 58 TYR HB3 H 1 2.671 0.008 . 1 . 712 . . 58 TYR HB3 . 17166 1
681 . 1 1 58 58 TYR HD1 H 1 6.934 0.012 . 3 . 1078 . . 58 TYR HD1 . 17166 1
682 . 1 1 58 58 TYR HD2 H 1 6.934 0.012 . 3 . 1078 . . 58 TYR HD2 . 17166 1
683 . 1 1 58 58 TYR HE1 H 1 6.514 0.011 . 3 . 1083 . . 58 TYR HE1 . 17166 1
684 . 1 1 58 58 TYR HE2 H 1 6.514 0.011 . 3 . 1083 . . 58 TYR HE2 . 17166 1
685 . 1 1 58 58 TYR C C 13 172.332 0.030 . 1 . 783 . . 58 TYR C . 17166 1
686 . 1 1 58 58 TYR CA C 13 57.837 0.09 . 1 . 323 . . 58 TYR CA . 17166 1
687 . 1 1 58 58 TYR CB C 13 40.081 0.067 . 1 . 710 . . 58 TYR CB . 17166 1
688 . 1 1 58 58 TYR CD1 C 13 132.681 0.118 . 3 . 1079 . . 58 TYR CD1 . 17166 1
689 . 1 1 58 58 TYR CD2 C 13 132.681 0.118 . 3 . 1079 . . 58 TYR CD2 . 17166 1
690 . 1 1 58 58 TYR CE1 C 13 117.173 0.132 . 3 . 1084 . . 58 TYR CE1 . 17166 1
691 . 1 1 58 58 TYR CE2 C 13 117.173 0.132 . 3 . 1084 . . 58 TYR CE2 . 17166 1
692 . 1 1 58 58 TYR N N 15 116.378 0.109 . 1 . 335 . . 58 TYR N . 17166 1
693 . 1 1 59 59 LEU H H 1 8.706 0.014 . 1 . 351 . . 59 LEU H . 17166 1
694 . 1 1 59 59 LEU HA H 1 4.772 0.014 . 1 . 904 . . 59 LEU HA . 17166 1
695 . 1 1 59 59 LEU HB2 H 1 2.096 0.028 . 1 . 905 . . 59 LEU HB2 . 17166 1
696 . 1 1 59 59 LEU HB3 H 1 1.525 0.013 . 1 . 906 . . 59 LEU HB3 . 17166 1
697 . 1 1 59 59 LEU HD11 H 1 1.082 0.018 . 1 . 907 . . 59 LEU HD11 . 17166 1
698 . 1 1 59 59 LEU HD12 H 1 1.082 0.018 . 1 . 907 . . 59 LEU HD12 . 17166 1
699 . 1 1 59 59 LEU HD13 H 1 1.082 0.018 . 1 . 907 . . 59 LEU HD13 . 17166 1
700 . 1 1 59 59 LEU HD21 H 1 1.037 0.011 . 1 . 908 . . 59 LEU HD21 . 17166 1
701 . 1 1 59 59 LEU HD22 H 1 1.037 0.011 . 1 . 908 . . 59 LEU HD22 . 17166 1
702 . 1 1 59 59 LEU HD23 H 1 1.037 0.011 . 1 . 908 . . 59 LEU HD23 . 17166 1
703 . 1 1 59 59 LEU HG H 1 1.757 0.009 . 1 . 909 . . 59 LEU HG . 17166 1
704 . 1 1 59 59 LEU C C 13 173.602 0.030 . 1 . 891 . . 59 LEU C . 17166 1
705 . 1 1 59 59 LEU CA C 13 53.535 0.104 . 1 . 892 . . 59 LEU CA . 17166 1
706 . 1 1 59 59 LEU CB C 13 46.652 0.055 . 1 . 394 . . 59 LEU CB . 17166 1
707 . 1 1 59 59 LEU CD1 C 13 26.797 0.136 . 1 . 902 . . 59 LEU CD1 . 17166 1
708 . 1 1 59 59 LEU CD2 C 13 23.076 0.021 . 1 . 903 . . 59 LEU CD2 . 17166 1
709 . 1 1 59 59 LEU CG C 13 27.412 0.07 . 1 . 901 . . 59 LEU CG . 17166 1
710 . 1 1 59 59 LEU N N 15 124.333 0.135 . 1 . 352 . . 59 LEU N . 17166 1
711 . 1 1 60 60 LEU H H 1 8.342 0.014 . 1 . 85 . . 60 LEU H . 17166 1
712 . 1 1 60 60 LEU HA H 1 5.039 0.015 . 1 . 506 . . 60 LEU HA . 17166 1
713 . 1 1 60 60 LEU HB2 H 1 1.590 0.01 . 1 . 893 . . 60 LEU HB2 . 17166 1
714 . 1 1 60 60 LEU HB3 H 1 1.096 0.018 . 1 . 894 . . 60 LEU HB3 . 17166 1
715 . 1 1 60 60 LEU HD11 H 1 0.523 0.02 . 1 . 896 . . 60 LEU HD11 . 17166 1
716 . 1 1 60 60 LEU HD12 H 1 0.523 0.02 . 1 . 896 . . 60 LEU HD12 . 17166 1
717 . 1 1 60 60 LEU HD13 H 1 0.523 0.02 . 1 . 896 . . 60 LEU HD13 . 17166 1
718 . 1 1 60 60 LEU HD21 H 1 0.206 0.013 . 1 . 897 . . 60 LEU HD21 . 17166 1
719 . 1 1 60 60 LEU HD22 H 1 0.206 0.013 . 1 . 897 . . 60 LEU HD22 . 17166 1
720 . 1 1 60 60 LEU HD23 H 1 0.206 0.013 . 1 . 897 . . 60 LEU HD23 . 17166 1
721 . 1 1 60 60 LEU HG H 1 1.246 0.024 . 1 . 895 . . 60 LEU HG . 17166 1
722 . 1 1 60 60 LEU C C 13 174.618 0.036 . 1 . 780 . . 60 LEU C . 17166 1
723 . 1 1 60 60 LEU CA C 13 53.379 0.044 . 1 . 283 . . 60 LEU CA . 17166 1
724 . 1 1 60 60 LEU CB C 13 44.634 0.087 . 1 . 284 . . 60 LEU CB . 17166 1
725 . 1 1 60 60 LEU CD1 C 13 25.553 0.137 . 1 . 899 . . 60 LEU CD1 . 17166 1
726 . 1 1 60 60 LEU CD2 C 13 21.236 0.03 . 1 . 900 . . 60 LEU CD2 . 17166 1
727 . 1 1 60 60 LEU CG C 13 27.739 0.142 . 1 . 898 . . 60 LEU CG . 17166 1
728 . 1 1 60 60 LEU N N 15 121.796 0.022 . 1 . 86 . . 60 LEU N . 17166 1
729 . 1 1 61 61 TYR H H 1 9.149 0.012 . 1 . 15 . . 61 TYR H . 17166 1
730 . 1 1 61 61 TYR HA H 1 5.399 0.014 . 1 . 581 . . 61 TYR HA . 17166 1
731 . 1 1 61 61 TYR HB2 H 1 2.754 0.009 . 1 . 474 . . 61 TYR HB2 . 17166 1
732 . 1 1 61 61 TYR HB3 H 1 2.638 0.011 . 1 . 475 . . 61 TYR HB3 . 17166 1
733 . 1 1 61 61 TYR HD1 H 1 7.000 0.007 . 3 . 1076 . . 61 TYR HD1 . 17166 1
734 . 1 1 61 61 TYR HD2 H 1 7.000 0.007 . 3 . 1076 . . 61 TYR HD2 . 17166 1
735 . 1 1 61 61 TYR HE1 H 1 6.429 0.009 . 3 . 1081 . . 61 TYR HE1 . 17166 1
736 . 1 1 61 61 TYR HE2 H 1 6.429 0.009 . 3 . 1081 . . 61 TYR HE2 . 17166 1
737 . 1 1 61 61 TYR C C 13 174.414 0.025 . 1 . 777 . . 61 TYR C . 17166 1
738 . 1 1 61 61 TYR CA C 13 56.652 0.07 . 1 . 183 . . 61 TYR CA . 17166 1
739 . 1 1 61 61 TYR CB C 13 40.358 0.077 . 1 . 184 . . 61 TYR CB . 17166 1
740 . 1 1 61 61 TYR CD1 C 13 132.943 0.099 . 3 . 1077 . . 61 TYR CD1 . 17166 1
741 . 1 1 61 61 TYR CD2 C 13 132.943 0.099 . 3 . 1077 . . 61 TYR CD2 . 17166 1
742 . 1 1 61 61 TYR CE1 C 13 117.922 0.116 . 3 . 1082 . . 61 TYR CE1 . 17166 1
743 . 1 1 61 61 TYR CE2 C 13 117.922 0.116 . 3 . 1082 . . 61 TYR CE2 . 17166 1
744 . 1 1 61 61 TYR N N 15 127.873 0.056 . 1 . 16 . . 61 TYR N . 17166 1
745 . 1 1 62 62 TYR H H 1 9.148 0.017 . 1 . 181 . . 62 TYR H . 17166 1
746 . 1 1 62 62 TYR HA H 1 6.127 0.009 . 1 . 439 . . 62 TYR HA . 17166 1
747 . 1 1 62 62 TYR HB2 H 1 2.884 0.016 . 1 . 440 . . 62 TYR HB2 . 17166 1
748 . 1 1 62 62 TYR HB3 H 1 2.884 0.016 . 1 . 441 . . 62 TYR HB3 . 17166 1
749 . 1 1 62 62 TYR HD1 H 1 6.650 0.009 . 3 . 1072 . . 62 TYR HD1 . 17166 1
750 . 1 1 62 62 TYR HD2 H 1 6.650 0.009 . 3 . 1072 . . 62 TYR HD2 . 17166 1
751 . 1 1 62 62 TYR HE1 H 1 6.482 0.016 . 3 . 1087 . . 62 TYR HE1 . 17166 1
752 . 1 1 62 62 TYR HE2 H 1 6.482 0.016 . 3 . 1087 . . 62 TYR HE2 . 17166 1
753 . 1 1 62 62 TYR C C 13 173.583 0.030 . 1 . 776 . . 62 TYR C . 17166 1
754 . 1 1 62 62 TYR CA C 13 55.689 0.057 . 1 . 186 . . 62 TYR CA . 17166 1
755 . 1 1 62 62 TYR CB C 13 42.718 0.121 . 1 . 185 . . 62 TYR CB . 17166 1
756 . 1 1 62 62 TYR CD1 C 13 132.957 0.131 . 3 . 1073 . . 62 TYR CD1 . 17166 1
757 . 1 1 62 62 TYR CD2 C 13 132.957 0.131 . 3 . 1073 . . 62 TYR CD2 . 17166 1
758 . 1 1 62 62 TYR CE1 C 13 117.648 0.154 . 3 . 1088 . . 62 TYR CE1 . 17166 1
759 . 1 1 62 62 TYR CE2 C 13 117.648 0.154 . 3 . 1088 . . 62 TYR CE2 . 17166 1
760 . 1 1 62 62 TYR N N 15 118.786 0.031 . 1 . 116 . . 62 TYR N . 17166 1
761 . 1 1 63 63 THR H H 1 8.211 0.009 . 1 . 135 . . 63 THR H . 17166 1
762 . 1 1 63 63 THR HA H 1 4.853 0.013 . 1 . 497 . . 63 THR HA . 17166 1
763 . 1 1 63 63 THR HB H 1 4.101 0.007 . 1 . 549 . . 63 THR HB . 17166 1
764 . 1 1 63 63 THR HG21 H 1 0.966 0.006 . 1 . 593 . . 63 THR HG21 . 17166 1
765 . 1 1 63 63 THR HG22 H 1 0.966 0.006 . 1 . 593 . . 63 THR HG22 . 17166 1
766 . 1 1 63 63 THR HG23 H 1 0.966 0.006 . 1 . 593 . . 63 THR HG23 . 17166 1
767 . 1 1 63 63 THR C C 13 171.702 0.030 . 1 . 828 . . 63 THR C . 17166 1
768 . 1 1 63 63 THR CA C 13 60.244 0.039 . 1 . 179 . . 63 THR CA . 17166 1
769 . 1 1 63 63 THR CB C 13 70.133 0.074 . 1 . 180 . . 63 THR CB . 17166 1
770 . 1 1 63 63 THR CG2 C 13 19.680 0.022 . 1 . 399 . . 63 THR CG2 . 17166 1
771 . 1 1 63 63 THR N N 15 111.951 0.103 . 1 . 136 . . 63 THR N . 17166 1
772 . 1 1 64 64 GLU H H 1 8.572 0.009 . 1 . 3 . . 64 GLU H . 17166 1
773 . 1 1 64 64 GLU HA H 1 4.335 0.015 . 1 . 634 . . 64 GLU HA . 17166 1
774 . 1 1 64 64 GLU HB2 H 1 1.736 0.008 . 1 . 632 . . 64 GLU HB2 . 17166 1
775 . 1 1 64 64 GLU HB3 H 1 1.832 0.008 . 1 . 633 . . 64 GLU HB3 . 17166 1
776 . 1 1 64 64 GLU HG2 H 1 1.888 0.012 . 1 . 756 . . 64 GLU HG2 . 17166 1
777 . 1 1 64 64 GLU HG3 H 1 1.888 0.012 . 1 . 755 . . 64 GLU HG3 . 17166 1
778 . 1 1 64 64 GLU C C 13 175.683 0.030 . 1 . 930 . . 64 GLU C . 17166 1
779 . 1 1 64 64 GLU CA C 13 56.733 0.054 . 1 . 229 . . 64 GLU CA . 17166 1
780 . 1 1 64 64 GLU CB C 13 30.050 0.06 . 1 . 230 . . 64 GLU CB . 17166 1
781 . 1 1 64 64 GLU CG C 13 36.278 0.126 . 1 . 418 . . 64 GLU CG . 17166 1
782 . 1 1 64 64 GLU N N 15 129.501 0.044 . 1 . 4 . . 64 GLU N . 17166 1
783 . 1 1 65 65 PHE H H 1 8.741 0.012 . 1 . 39 . . 65 PHE H . 17166 1
784 . 1 1 65 65 PHE HA H 1 4.829 0.015 . 1 . 455 . . 65 PHE HA . 17166 1
785 . 1 1 65 65 PHE HB2 H 1 2.787 0.016 . 1 . 932 . . 65 PHE HB2 . 17166 1
786 . 1 1 65 65 PHE HB3 H 1 2.676 0.01 . 1 . 931 . . 65 PHE HB3 . 17166 1
787 . 1 1 65 65 PHE HD1 H 1 6.185 0.013 . 3 . 1142 . . 65 PHE HD1 . 17166 1
788 . 1 1 65 65 PHE HD2 H 1 6.185 0.013 . 3 . 1142 . . 65 PHE HD2 . 17166 1
789 . 1 1 65 65 PHE HE1 H 1 6.217 0.013 . 3 . 1144 . . 65 PHE HE1 . 17166 1
790 . 1 1 65 65 PHE HE2 H 1 6.217 0.013 . 3 . 1144 . . 65 PHE HE2 . 17166 1
791 . 1 1 65 65 PHE HZ H 1 5.735 0.008 . 1 . 1146 . . 65 PHE HZ . 17166 1
792 . 1 1 65 65 PHE C C 13 171.828 0.030 . 1 . 827 . . 65 PHE C . 17166 1
793 . 1 1 65 65 PHE CA C 13 55.365 0.083 . 1 . 231 . . 65 PHE CA . 17166 1
794 . 1 1 65 65 PHE CB C 13 41.049 0.046 . 1 . 232 . . 65 PHE CB . 17166 1
795 . 1 1 65 65 PHE CD1 C 13 131.263 0.17 . 3 . 1143 . . 65 PHE CD1 . 17166 1
796 . 1 1 65 65 PHE CD2 C 13 131.263 0.17 . 3 . 1143 . . 65 PHE CD2 . 17166 1
797 . 1 1 65 65 PHE CE1 C 13 129.461 0.099 . 3 . 1145 . . 65 PHE CE1 . 17166 1
798 . 1 1 65 65 PHE CE2 C 13 129.461 0.099 . 3 . 1145 . . 65 PHE CE2 . 17166 1
799 . 1 1 65 65 PHE CZ C 13 127.743 0.126 . 1 . 1147 . . 65 PHE CZ . 17166 1
800 . 1 1 65 65 PHE N N 15 125.438 0.026 . 1 . 40 . . 65 PHE N . 17166 1
801 . 1 1 66 66 THR H H 1 8.383 0.009 . 1 . 121 . . 66 THR H . 17166 1
802 . 1 1 66 66 THR HA H 1 4.461 0.008 . 1 . 553 . . 66 THR HA . 17166 1
803 . 1 1 66 66 THR HB H 1 3.851 0.019 . 1 . 552 . . 66 THR HB . 17166 1
804 . 1 1 66 66 THR HG21 H 1 0.836 0.009 . 1 . 594 . . 66 THR HG21 . 17166 1
805 . 1 1 66 66 THR HG22 H 1 0.836 0.009 . 1 . 594 . . 66 THR HG22 . 17166 1
806 . 1 1 66 66 THR HG23 H 1 0.836 0.009 . 1 . 594 . . 66 THR HG23 . 17166 1
807 . 1 1 66 66 THR C C 13 171.966 0.030 . 1 . 995 . . 66 THR C . 17166 1
808 . 1 1 66 66 THR CA C 13 58.589 0.039 . 1 . 233 . . 66 THR CA . 17166 1
809 . 1 1 66 66 THR CB C 13 70.072 0.048 . 1 . 234 . . 66 THR CB . 17166 1
810 . 1 1 66 66 THR CG2 C 13 20.596 0.021 . 1 . 554 . . 66 THR CG2 . 17166 1
811 . 1 1 66 66 THR N N 15 117.339 0.033 . 1 . 122 . . 66 THR N . 17166 1
812 . 1 1 67 67 PRO HA H 1 4.593 0.019 . 1 . 438 . . 67 PRO HA . 17166 1
813 . 1 1 67 67 PRO HB2 H 1 2.430 0.011 . 1 . 627 . . 67 PRO HB2 . 17166 1
814 . 1 1 67 67 PRO HB3 H 1 2.183 0.008 . 1 . 1002 . . 67 PRO HB3 . 17166 1
815 . 1 1 67 67 PRO HD2 H 1 4.002 0.009 . 1 . 623 . . 67 PRO HD2 . 17166 1
816 . 1 1 67 67 PRO HD3 H 1 2.186 0.009 . 1 . 626 . . 67 PRO HD3 . 17166 1
817 . 1 1 67 67 PRO HG2 H 1 2.005 0.011 . 1 . 1003 . . 67 PRO HG2 . 17166 1
818 . 1 1 67 67 PRO HG3 H 1 1.416 0.007 . 1 . 1004 . . 67 PRO HG3 . 17166 1
819 . 1 1 67 67 PRO C C 13 175.025 0.012 . 1 . 826 . . 67 PRO C . 17166 1
820 . 1 1 67 67 PRO CA C 13 63.086 0.045 . 1 . 369 . . 67 PRO CA . 17166 1
821 . 1 1 67 67 PRO CB C 13 32.145 0.085 . 1 . 368 . . 67 PRO CB . 17166 1
822 . 1 1 67 67 PRO CD C 13 51.103 0.135 . 1 . 379 . . 67 PRO CD . 17166 1
823 . 1 1 67 67 PRO CG C 13 26.855 0.08 . 1 . 380 . . 67 PRO CG . 17166 1
824 . 1 1 67 67 PRO N N 15 107.299 0.030 . 1 . 1124 . . 67 PRO N . 17166 1
825 . 1 1 68 68 THR H H 1 8.136 0.014 . 1 . 141 . . 68 THR H . 17166 1
826 . 1 1 68 68 THR HA H 1 4.641 0.009 . 1 . 473 . . 68 THR HA . 17166 1
827 . 1 1 68 68 THR HB H 1 4.529 0.01 . 1 . 551 . . 68 THR HB . 17166 1
828 . 1 1 68 68 THR HG21 H 1 1.307 0.007 . 1 . 556 . . 68 THR HG21 . 17166 1
829 . 1 1 68 68 THR HG22 H 1 1.307 0.007 . 1 . 556 . . 68 THR HG22 . 17166 1
830 . 1 1 68 68 THR HG23 H 1 1.307 0.007 . 1 . 556 . . 68 THR HG23 . 17166 1
831 . 1 1 68 68 THR C C 13 175.307 0.03 . 1 . 825 . . 68 THR C . 17166 1
832 . 1 1 68 68 THR CA C 13 60.200 0.083 . 1 . 159 . . 68 THR CA . 17166 1
833 . 1 1 68 68 THR CB C 13 72.890 0.093 . 1 . 161 . . 68 THR CB . 17166 1
834 . 1 1 68 68 THR CG2 C 13 21.579 0.038 . 1 . 393 . . 68 THR CG2 . 17166 1
835 . 1 1 68 68 THR N N 15 110.392 0.076 . 1 . 142 . . 68 THR N . 17166 1
836 . 1 1 69 69 GLU H H 1 9.190 0.013 . 1 . 115 . . 69 GLU H . 17166 1
837 . 1 1 69 69 GLU HA H 1 4.191 0.014 . 1 . 449 . . 69 GLU HA . 17166 1
838 . 1 1 69 69 GLU HB2 H 1 2.079 0.008 . 1 . 750 . . 69 GLU HB2 . 17166 1
839 . 1 1 69 69 GLU HB3 H 1 2.038 0.008 . 1 . 751 . . 69 GLU HB3 . 17166 1
840 . 1 1 69 69 GLU HG2 H 1 2.342 0.007 . 1 . 752 . . 69 GLU HG2 . 17166 1
841 . 1 1 69 69 GLU HG3 H 1 2.271 0.007 . 1 . 753 . . 69 GLU HG3 . 17166 1
842 . 1 1 69 69 GLU C C 13 177.844 0.022 . 1 . 957 . . 69 GLU C . 17166 1
843 . 1 1 69 69 GLU CA C 13 59.105 0.054 . 1 . 160 . . 69 GLU CA . 17166 1
844 . 1 1 69 69 GLU CB C 13 29.988 0.051 . 1 . 162 . . 69 GLU CB . 17166 1
845 . 1 1 69 69 GLU CG C 13 36.243 0.097 . 1 . 383 . . 69 GLU CG . 17166 1
846 . 1 1 69 69 GLU N N 15 118.922 0.064 . 1 . 182 . . 69 GLU N . 17166 1
847 . 1 1 70 70 LYS H H 1 7.927 0.01 . 1 . 129 . . 70 LYS H . 17166 1
848 . 1 1 70 70 LYS HA H 1 4.475 0.015 . 1 . 457 . . 70 LYS HA . 17166 1
849 . 1 1 70 70 LYS HB2 H 1 1.862 0.007 . 1 . 599 . . 70 LYS HB2 . 17166 1
850 . 1 1 70 70 LYS HB3 H 1 1.784 0.006 . 1 . 600 . . 70 LYS HB3 . 17166 1
851 . 1 1 70 70 LYS HD2 H 1 1.657 0.009 . 1 . 597 . . 70 LYS HD2 . 17166 1
852 . 1 1 70 70 LYS HD3 H 1 1.660 0.011 . 1 . 598 . . 70 LYS HD3 . 17166 1
853 . 1 1 70 70 LYS HE2 H 1 2.975 0.014 . 1 . 458 . . 70 LYS HE2 . 17166 1
854 . 1 1 70 70 LYS HE3 H 1 2.975 0.014 . 1 . 459 . . 70 LYS HE3 . 17166 1
855 . 1 1 70 70 LYS HG2 H 1 1.384 0.007 . 1 . 595 . . 70 LYS HG2 . 17166 1
856 . 1 1 70 70 LYS HG3 H 1 1.384 0.007 . 1 . 596 . . 70 LYS HG3 . 17166 1
857 . 1 1 70 70 LYS C C 13 176.866 0.013 . 1 . 868 . . 70 LYS C . 17166 1
858 . 1 1 70 70 LYS CA C 13 56.295 0.086 . 1 . 163 . . 70 LYS CA . 17166 1
859 . 1 1 70 70 LYS CB C 13 34.127 0.122 . 1 . 164 . . 70 LYS CB . 17166 1
860 . 1 1 70 70 LYS CD C 13 28.855 0.053 . 1 . 386 . . 70 LYS CD . 17166 1
861 . 1 1 70 70 LYS CE C 13 41.984 0.116 . 1 . 385 . . 70 LYS CE . 17166 1
862 . 1 1 70 70 LYS CG C 13 24.750 0.119 . 1 . 387 . . 70 LYS CG . 17166 1
863 . 1 1 70 70 LYS N N 15 113.681 0.088 . 1 . 130 . . 70 LYS N . 17166 1
864 . 1 1 71 71 ASP H H 1 7.186 0.011 . 1 . 117 . . 71 ASP H . 17166 1
865 . 1 1 71 71 ASP HA H 1 5.104 0.013 . 1 . 535 . . 71 ASP HA . 17166 1
866 . 1 1 71 71 ASP HB2 H 1 2.853 0.015 . 1 . 536 . . 71 ASP HB2 . 17166 1
867 . 1 1 71 71 ASP HB3 H 1 2.159 0.017 . 1 . 664 . . 71 ASP HB3 . 17166 1
868 . 1 1 71 71 ASP C C 13 175.217 0.046 . 1 . 867 . . 71 ASP C . 17166 1
869 . 1 1 71 71 ASP CA C 13 55.514 0.057 . 1 . 165 . . 71 ASP CA . 17166 1
870 . 1 1 71 71 ASP CB C 13 43.413 0.096 . 1 . 166 . . 71 ASP CB . 17166 1
871 . 1 1 71 71 ASP N N 15 118.175 0.031 . 1 . 118 . . 71 ASP N . 17166 1
872 . 1 1 72 72 GLU H H 1 8.656 0.012 . 1 . 73 . . 72 GLU H . 17166 1
873 . 1 1 72 72 GLU HA H 1 4.806 0.019 . 1 . 478 . . 72 GLU HA . 17166 1
874 . 1 1 72 72 GLU HB2 H 1 2.053 0.007 . 1 . 758 . . 72 GLU HB2 . 17166 1
875 . 1 1 72 72 GLU HB3 H 1 1.972 0.006 . 1 . 759 . . 72 GLU HB3 . 17166 1
876 . 1 1 72 72 GLU HG2 H 1 2.387 0.007 . 1 . 757 . . 72 GLU HG2 . 17166 1
877 . 1 1 72 72 GLU HG3 H 1 2.114 0.009 . 1 . 678 . . 72 GLU HG3 . 17166 1
878 . 1 1 72 72 GLU C C 13 175.054 0.030 . 1 . 774 . . 72 GLU C . 17166 1
879 . 1 1 72 72 GLU CA C 13 54.842 0.085 . 1 . 167 . . 72 GLU CA . 17166 1
880 . 1 1 72 72 GLU CB C 13 32.914 0.07 . 1 . 168 . . 72 GLU CB . 17166 1
881 . 1 1 72 72 GLU CG C 13 36.869 0.04 . 1 . 414 . . 72 GLU CG . 17166 1
882 . 1 1 72 72 GLU N N 15 122.800 0.035 . 1 . 74 . . 72 GLU N . 17166 1
883 . 1 1 73 73 TYR H H 1 9.604 0.01 . 1 . 65 . . 73 TYR H . 17166 1
884 . 1 1 73 73 TYR HA H 1 5.711 0.01 . 1 . 481 . . 73 TYR HA . 17166 1
885 . 1 1 73 73 TYR HB2 H 1 2.815 0.011 . 1 . 482 . . 73 TYR HB2 . 17166 1
886 . 1 1 73 73 TYR HB3 H 1 2.727 0.017 . 1 . 483 . . 73 TYR HB3 . 17166 1
887 . 1 1 73 73 TYR HD1 H 1 7.105 0.011 . 3 . 1155 . . 73 TYR HD1 . 17166 1
888 . 1 1 73 73 TYR HD2 H 1 7.105 0.011 . 3 . 1155 . . 73 TYR HD2 . 17166 1
889 . 1 1 73 73 TYR HE1 H 1 6.899 0.012 . 3 . 1157 . . 73 TYR HE1 . 17166 1
890 . 1 1 73 73 TYR HE2 H 1 6.899 0.012 . 3 . 1157 . . 73 TYR HE2 . 17166 1
891 . 1 1 73 73 TYR C C 13 175.406 0.002 . 1 . 775 . . 73 TYR C . 17166 1
892 . 1 1 73 73 TYR CA C 13 56.753 0.054 . 1 . 253 . . 73 TYR CA . 17166 1
893 . 1 1 73 73 TYR CB C 13 43.150 0.121 . 1 . 254 . . 73 TYR CB . 17166 1
894 . 1 1 73 73 TYR CD1 C 13 133.200 0.102 . 3 . 1156 . . 73 TYR CD1 . 17166 1
895 . 1 1 73 73 TYR CD2 C 13 133.200 0.102 . 3 . 1156 . . 73 TYR CD2 . 17166 1
896 . 1 1 73 73 TYR CE1 C 13 117.230 0.11 . 3 . 1158 . . 73 TYR CE1 . 17166 1
897 . 1 1 73 73 TYR CE2 C 13 117.230 0.11 . 3 . 1158 . . 73 TYR CE2 . 17166 1
898 . 1 1 73 73 TYR N N 15 123.478 0.036 . 1 . 66 . . 73 TYR N . 17166 1
899 . 1 1 74 74 ALA H H 1 8.789 0.013 . 1 . 93 . . 74 ALA H . 17166 1
900 . 1 1 74 74 ALA HA H 1 5.046 0.008 . 1 . 578 . . 74 ALA HA . 17166 1
901 . 1 1 74 74 ALA HB1 H 1 1.209 0.011 . 1 . 472 . . 74 ALA HB1 . 17166 1
902 . 1 1 74 74 ALA HB2 H 1 1.209 0.011 . 1 . 472 . . 74 ALA HB2 . 17166 1
903 . 1 1 74 74 ALA HB3 H 1 1.209 0.011 . 1 . 472 . . 74 ALA HB3 . 17166 1
904 . 1 1 74 74 ALA C C 13 173.725 0.028 . 1 . 831 . . 74 ALA C . 17166 1
905 . 1 1 74 74 ALA CA C 13 51.104 0.093 . 1 . 251 . . 74 ALA CA . 17166 1
906 . 1 1 74 74 ALA CB C 13 24.174 0.102 . 1 . 252 . . 74 ALA CB . 17166 1
907 . 1 1 74 74 ALA N N 15 121.046 0.066 . 1 . 94 . . 74 ALA N . 17166 1
908 . 1 1 75 75 CYS H H 1 9.165 0.009 . 1 . 103 . . 75 CYS H . 17166 1
909 . 1 1 75 75 CYS HA H 1 5.040 0.011 . 1 . 505 . . 75 CYS HA . 17166 1
910 . 1 1 75 75 CYS HB2 H 1 2.611 0.011 . 1 . 608 . . 75 CYS HB2 . 17166 1
911 . 1 1 75 75 CYS HB3 H 1 3.010 0.009 . 1 . 606 . . 75 CYS HB3 . 17166 1
912 . 1 1 75 75 CYS C C 13 171.096 0.007 . 1 . 842 . . 75 CYS C . 17166 1
913 . 1 1 75 75 CYS CA C 13 53.126 0.048 . 1 . 249 . . 75 CYS CA . 17166 1
914 . 1 1 75 75 CYS CB C 13 43.365 0.051 . 1 . 250 . . 75 CYS CB . 17166 1
915 . 1 1 75 75 CYS N N 15 119.985 0.055 . 1 . 104 . . 75 CYS N . 17166 1
916 . 1 1 76 76 ARG H H 1 9.406 0.011 . 1 . 9 . . 76 ARG H . 17166 1
917 . 1 1 76 76 ARG HA H 1 5.409 0.008 . 1 . 601 . . 76 ARG HA . 17166 1
918 . 1 1 76 76 ARG HB2 H 1 1.882 0.008 . 1 . 607 . . 76 ARG HB2 . 17166 1
919 . 1 1 76 76 ARG HB3 H 1 1.146 0.006 . 1 . 841 . . 76 ARG HB3 . 17166 1
920 . 1 1 76 76 ARG HD2 H 1 3.091 0.005 . 1 . 602 . . 76 ARG HD2 . 17166 1
921 . 1 1 76 76 ARG HD3 H 1 2.892 0.011 . 1 . 603 . . 76 ARG HD3 . 17166 1
922 . 1 1 76 76 ARG HG2 H 1 1.327 0.011 . 1 . 604 . . 76 ARG HG2 . 17166 1
923 . 1 1 76 76 ARG HG3 H 1 1.308 0.007 . 1 . 605 . . 76 ARG HG3 . 17166 1
924 . 1 1 76 76 ARG C C 13 173.518 0.016 . 1 . 799 . . 76 ARG C . 17166 1
925 . 1 1 76 76 ARG CA C 13 53.689 0.062 . 1 . 247 . . 76 ARG CA . 17166 1
926 . 1 1 76 76 ARG CB C 13 34.470 0.075 . 1 . 248 . . 76 ARG CB . 17166 1
927 . 1 1 76 76 ARG CD C 13 43.938 0.053 . 1 . 406 . . 76 ARG CD . 17166 1
928 . 1 1 76 76 ARG CG C 13 26.562 0.102 . 1 . 407 . . 76 ARG CG . 17166 1
929 . 1 1 76 76 ARG N N 15 128.416 0.047 . 1 . 10 . . 76 ARG N . 17166 1
930 . 1 1 77 77 VAL H H 1 9.103 0.008 . 1 . 31 . . 77 VAL H . 17166 1
931 . 1 1 77 77 VAL HA H 1 4.579 0.014 . 1 . 527 . . 77 VAL HA . 17166 1
932 . 1 1 77 77 VAL HB H 1 1.761 0.006 . 1 . 528 . . 77 VAL HB . 17166 1
933 . 1 1 77 77 VAL HG11 H 1 0.533 0.009 . 1 . 717 . . 77 VAL HG11 . 17166 1
934 . 1 1 77 77 VAL HG12 H 1 0.533 0.009 . 1 . 717 . . 77 VAL HG12 . 17166 1
935 . 1 1 77 77 VAL HG13 H 1 0.533 0.009 . 1 . 717 . . 77 VAL HG13 . 17166 1
936 . 1 1 77 77 VAL HG21 H 1 0.809 0.01 . 1 . 718 . . 77 VAL HG21 . 17166 1
937 . 1 1 77 77 VAL HG22 H 1 0.809 0.01 . 1 . 718 . . 77 VAL HG22 . 17166 1
938 . 1 1 77 77 VAL HG23 H 1 0.809 0.01 . 1 . 718 . . 77 VAL HG23 . 17166 1
939 . 1 1 77 77 VAL C C 13 173.883 0.026 . 1 . 800 . . 77 VAL C . 17166 1
940 . 1 1 77 77 VAL CA C 13 61.027 0.052 . 1 . 169 . . 77 VAL CA . 17166 1
941 . 1 1 77 77 VAL CB C 13 35.062 0.133 . 1 . 170 . . 77 VAL CB . 17166 1
942 . 1 1 77 77 VAL CG1 C 13 20.855 0.147 . 1 . 798 . . 77 VAL CG1 . 17166 1
943 . 1 1 77 77 VAL CG2 C 13 22.812 0.183 . 1 . 797 . . 77 VAL CG2 . 17166 1
944 . 1 1 77 77 VAL N N 15 126.585 0.048 . 1 . 32 . . 77 VAL N . 17166 1
945 . 1 1 78 78 ASN H H 1 8.889 0.011 . 1 . 47 . . 78 ASN H . 17166 1
946 . 1 1 78 78 ASN HA H 1 5.133 0.007 . 1 . 490 . . 78 ASN HA . 17166 1
947 . 1 1 78 78 ASN HB2 H 1 2.425 0.011 . 1 . 660 . . 78 ASN HB2 . 17166 1
948 . 1 1 78 78 ASN HB3 H 1 2.789 0.008 . 1 . 661 . . 78 ASN HB3 . 17166 1
949 . 1 1 78 78 ASN HD21 H 1 7.457 0.007 . 1 . 1127 . . 78 ASN HD21 . 17166 1
950 . 1 1 78 78 ASN HD22 H 1 6.666 0.005 . 1 . 1129 . . 78 ASN HD22 . 17166 1
951 . 1 1 78 78 ASN C C 13 173.370 0.009 . 1 . 823 . . 78 ASN C . 17166 1
952 . 1 1 78 78 ASN CA C 13 50.960 0.053 . 1 . 171 . . 78 ASN CA . 17166 1
953 . 1 1 78 78 ASN CB C 13 41.668 0.094 . 1 . 172 . . 78 ASN CB . 17166 1
954 . 1 1 78 78 ASN N N 15 124.797 0.038 . 1 . 48 . . 78 ASN N . 17166 1
955 . 1 1 78 78 ASN ND2 N 15 111.419 0.021 . 1 . 1128 . . 78 ASN ND2 . 17166 1
956 . 1 1 79 79 HIS H H 1 7.991 0.007 . 1 . 71 . . 79 HIS H . 17166 1
957 . 1 1 79 79 HIS HA H 1 4.629 0.021 . 1 . 491 . . 79 HIS HA . 17166 1
958 . 1 1 79 79 HIS HB2 H 1 2.612 0.03 . 1 . 492 . . 79 HIS HB2 . 17166 1
959 . 1 1 79 79 HIS HB3 H 1 2.553 0.021 . 1 . 493 . . 79 HIS HB3 . 17166 1
960 . 1 1 79 79 HIS HD2 H 1 6.551 0.007 . 1 . 765 . . 79 HIS HD2 . 17166 1
961 . 1 1 79 79 HIS C C 13 175.974 0.030 . 1 . 802 . . 79 HIS C . 17166 1
962 . 1 1 79 79 HIS CA C 13 56.737 0.069 . 1 . 173 . . 79 HIS CA . 17166 1
963 . 1 1 79 79 HIS CB C 13 34.289 0.133 . 1 . 174 . . 79 HIS CB . 17166 1
964 . 1 1 79 79 HIS CD2 C 13 118.523 0.097 . 1 . 766 . . 79 HIS CD2 . 17166 1
965 . 1 1 79 79 HIS N N 15 123.041 0.032 . 1 . 72 . . 79 HIS N . 17166 1
966 . 1 1 80 80 VAL H H 1 7.751 0.009 . 1 . 55 . . 80 VAL H . 17166 1
967 . 1 1 80 80 VAL HA H 1 3.926 0.006 . 1 . 442 . . 80 VAL HA . 17166 1
968 . 1 1 80 80 VAL HB H 1 2.024 0.025 . 1 . 443 . . 80 VAL HB . 17166 1
969 . 1 1 80 80 VAL HG11 H 1 0.849 0.024 . 1 . 444 . . 80 VAL HG11 . 17166 1
970 . 1 1 80 80 VAL HG12 H 1 0.849 0.024 . 1 . 444 . . 80 VAL HG12 . 17166 1
971 . 1 1 80 80 VAL HG13 H 1 0.849 0.024 . 1 . 444 . . 80 VAL HG13 . 17166 1
972 . 1 1 80 80 VAL HG21 H 1 0.776 0.017 . 1 . 445 . . 80 VAL HG21 . 17166 1
973 . 1 1 80 80 VAL HG22 H 1 0.776 0.017 . 1 . 445 . . 80 VAL HG22 . 17166 1
974 . 1 1 80 80 VAL HG23 H 1 0.776 0.017 . 1 . 445 . . 80 VAL HG23 . 17166 1
975 . 1 1 80 80 VAL C C 13 176.787 0.023 . 1 . 801 . . 80 VAL C . 17166 1
976 . 1 1 80 80 VAL CA C 13 64.959 0.045 . 1 . 175 . . 80 VAL CA . 17166 1
977 . 1 1 80 80 VAL CB C 13 31.688 0.068 . 1 . 176 . . 80 VAL CB . 17166 1
978 . 1 1 80 80 VAL CG1 C 13 20.378 0.202 . 1 . 381 . . 80 VAL CG1 . 17166 1
979 . 1 1 80 80 VAL CG2 C 13 20.400 0.201 . 1 . 382 . . 80 VAL CG2 . 17166 1
980 . 1 1 80 80 VAL N N 15 124.198 0.056 . 1 . 56 . . 80 VAL N . 17166 1
981 . 1 1 81 81 THR H H 1 8.819 0.01 . 1 . 131 . . 81 THR H . 17166 1
982 . 1 1 81 81 THR HA H 1 4.331 0.008 . 1 . 488 . . 81 THR HA . 17166 1
983 . 1 1 81 81 THR HB H 1 4.424 0.011 . 1 . 550 . . 81 THR HB . 17166 1
984 . 1 1 81 81 THR HG21 H 1 1.430 0.013 . 1 . 489 . . 81 THR HG21 . 17166 1
985 . 1 1 81 81 THR HG22 H 1 1.430 0.013 . 1 . 489 . . 81 THR HG22 . 17166 1
986 . 1 1 81 81 THR HG23 H 1 1.430 0.013 . 1 . 489 . . 81 THR HG23 . 17166 1
987 . 1 1 81 81 THR C C 13 175.291 0.035 . 1 . 824 . . 81 THR C . 17166 1
988 . 1 1 81 81 THR CA C 13 63.283 0.074 . 1 . 177 . . 81 THR CA . 17166 1
989 . 1 1 81 81 THR CB C 13 70.007 0.103 . 1 . 178 . . 81 THR CB . 17166 1
990 . 1 1 81 81 THR CG2 C 13 22.868 0.083 . 1 . 555 . . 81 THR CG2 . 17166 1
991 . 1 1 81 81 THR N N 15 112.899 0.082 . 1 . 132 . . 81 THR N . 17166 1
992 . 1 1 82 82 LEU H H 1 7.979 0.017 . 1 . 79 . . 82 LEU H . 17166 1
993 . 1 1 82 82 LEU HA H 1 4.622 0.007 . 1 . 700 . . 82 LEU HA . 17166 1
994 . 1 1 82 82 LEU HB2 H 1 1.848 0.014 . 1 . 703 . . 82 LEU HB2 . 17166 1
995 . 1 1 82 82 LEU HB3 H 1 1.664 0.007 . 1 . 886 . . 82 LEU HB3 . 17166 1
996 . 1 1 82 82 LEU HD11 H 1 0.865 0.01 . 1 . 701 . . 82 LEU HD11 . 17166 1
997 . 1 1 82 82 LEU HD12 H 1 0.865 0.01 . 1 . 701 . . 82 LEU HD12 . 17166 1
998 . 1 1 82 82 LEU HD13 H 1 0.865 0.01 . 1 . 701 . . 82 LEU HD13 . 17166 1
999 . 1 1 82 82 LEU HD21 H 1 0.907 0.006 . 1 . 702 . . 82 LEU HD21 . 17166 1
1000 . 1 1 82 82 LEU HD22 H 1 0.907 0.006 . 1 . 702 . . 82 LEU HD22 . 17166 1
1001 . 1 1 82 82 LEU HD23 H 1 0.907 0.006 . 1 . 702 . . 82 LEU HD23 . 17166 1
1002 . 1 1 82 82 LEU HG H 1 1.551 0.009 . 1 . 887 . . 82 LEU HG . 17166 1
1003 . 1 1 82 82 LEU C C 13 177.647 0.030 . 1 . 994 . . 82 LEU C . 17166 1
1004 . 1 1 82 82 LEU CA C 13 54.102 0.083 . 1 . 198 . . 82 LEU CA . 17166 1
1005 . 1 1 82 82 LEU CB C 13 42.415 0.044 . 1 . 199 . . 82 LEU CB . 17166 1
1006 . 1 1 82 82 LEU CD1 C 13 25.666 0.087 . 1 . 888 . . 82 LEU CD1 . 17166 1
1007 . 1 1 82 82 LEU CD2 C 13 22.840 0.107 . 1 . 889 . . 82 LEU CD2 . 17166 1
1008 . 1 1 82 82 LEU CG C 13 26.914 0.111 . 1 . 890 . . 82 LEU CG . 17166 1
1009 . 1 1 82 82 LEU N N 15 122.409 0.042 . 1 . 80 . . 82 LEU N . 17166 1
1010 . 1 1 83 83 SER HA H 1 4.257 0.011 . 1 . 456 . . 83 SER HA . 17166 1
1011 . 1 1 83 83 SER HB2 H 1 3.954 0.011 . 1 . 574 . . 83 SER HB2 . 17166 1
1012 . 1 1 83 83 SER HB3 H 1 3.954 0.011 . 1 . 575 . . 83 SER HB3 . 17166 1
1013 . 1 1 83 83 SER C C 13 174.252 0.022 . 1 . 950 . . 83 SER C . 17166 1
1014 . 1 1 83 83 SER CA C 13 60.039 0.056 . 1 . 374 . . 83 SER CA . 17166 1
1015 . 1 1 83 83 SER CB C 13 63.007 0.101 . 1 . 373 . . 83 SER CB . 17166 1
1016 . 1 1 84 84 GLN H H 1 7.596 0.011 . 1 . 119 . . 84 GLN H . 17166 1
1017 . 1 1 84 84 GLN HA H 1 4.767 0.006 . 1 . 671 . . 84 GLN HA . 17166 1
1018 . 1 1 84 84 GLN HB2 H 1 2.130 0.006 . 1 . 675 . . 84 GLN HB2 . 17166 1
1019 . 1 1 84 84 GLN HB3 H 1 1.895 0.005 . 1 . 949 . . 84 GLN HB3 . 17166 1
1020 . 1 1 84 84 GLN HE21 H 1 7.609 0.004 . 1 . 1130 . . 84 GLN HE21 . 17166 1
1021 . 1 1 84 84 GLN HE22 H 1 6.912 0.006 . 1 . 1132 . . 84 GLN HE22 . 17166 1
1022 . 1 1 84 84 GLN HG2 H 1 2.303 0.01 . 1 . 673 . . 84 GLN HG2 . 17166 1
1023 . 1 1 84 84 GLN HG3 H 1 2.304 0.011 . 1 . 674 . . 84 GLN HG3 . 17166 1
1024 . 1 1 84 84 GLN C C 13 172.720 0.030 . 1 . 993 . . 84 GLN C . 17166 1
1025 . 1 1 84 84 GLN CA C 13 53.273 0.089 . 1 . 291 . . 84 GLN CA . 17166 1
1026 . 1 1 84 84 GLN CB C 13 30.128 0.147 . 1 . 292 . . 84 GLN CB . 17166 1
1027 . 1 1 84 84 GLN CG C 13 33.141 0.05 . 1 . 672 . . 84 GLN CG . 17166 1
1028 . 1 1 84 84 GLN N N 15 117.787 0.028 . 1 . 120 . . 84 GLN N . 17166 1
1029 . 1 1 84 84 GLN NE2 N 15 112.287 0.038 . 1 . 1131 . . 84 GLN NE2 . 17166 1
1030 . 1 1 85 85 PRO HA H 1 4.621 0.016 . 1 . 533 . . 85 PRO HA . 17166 1
1031 . 1 1 85 85 PRO HB2 H 1 1.918 0.007 . 1 . 590 . . 85 PRO HB2 . 17166 1
1032 . 1 1 85 85 PRO HB3 H 1 1.476 0.01 . 1 . 999 . . 85 PRO HB3 . 17166 1
1033 . 1 1 85 85 PRO HD2 H 1 3.603 0.01 . 1 . 534 . . 85 PRO HD2 . 17166 1
1034 . 1 1 85 85 PRO HD3 H 1 3.725 0.006 . 1 . 625 . . 85 PRO HD3 . 17166 1
1035 . 1 1 85 85 PRO HG2 H 1 1.933 0.005 . 1 . 1000 . . 85 PRO HG2 . 17166 1
1036 . 1 1 85 85 PRO HG3 H 1 1.850 0.009 . 1 . 1001 . . 85 PRO HG3 . 17166 1
1037 . 1 1 85 85 PRO C C 13 176.280 0.031 . 1 . 967 . . 85 PRO C . 17166 1
1038 . 1 1 85 85 PRO CA C 13 63.039 0.062 . 1 . 426 . . 85 PRO CA . 17166 1
1039 . 1 1 85 85 PRO CB C 13 32.402 0.09 . 1 . 425 . . 85 PRO CB . 17166 1
1040 . 1 1 85 85 PRO CD C 13 50.333 0.122 . 1 . 423 . . 85 PRO CD . 17166 1
1041 . 1 1 85 85 PRO CG C 13 27.160 0.127 . 1 . 424 . . 85 PRO CG . 17166 1
1042 . 1 1 85 85 PRO N N 15 101.071 0.030 . 1 . 1122 . . 85 PRO N . 17166 1
1043 . 1 1 86 86 LYS H H 1 8.590 0.01 . 1 . 69 . . 86 LYS H . 17166 1
1044 . 1 1 86 86 LYS HA H 1 4.509 0.011 . 1 . 530 . . 86 LYS HA . 17166 1
1045 . 1 1 86 86 LYS HB2 H 1 1.726 0.005 . 1 . 968 . . 86 LYS HB2 . 17166 1
1046 . 1 1 86 86 LYS HB3 H 1 1.758 0.013 . 1 . 969 . . 86 LYS HB3 . 17166 1
1047 . 1 1 86 86 LYS HD2 H 1 1.704 0.005 . 1 . 621 . . 86 LYS HD2 . 17166 1
1048 . 1 1 86 86 LYS HD3 H 1 1.704 0.005 . 1 . 622 . . 86 LYS HD3 . 17166 1
1049 . 1 1 86 86 LYS HE2 H 1 3.017 0.011 . 1 . 531 . . 86 LYS HE2 . 17166 1
1050 . 1 1 86 86 LYS HE3 H 1 3.017 0.011 . 1 . 532 . . 86 LYS HE3 . 17166 1
1051 . 1 1 86 86 LYS HG2 H 1 1.427 0.005 . 1 . 619 . . 86 LYS HG2 . 17166 1
1052 . 1 1 86 86 LYS HG3 H 1 1.385 0.008 . 1 . 620 . . 86 LYS HG3 . 17166 1
1053 . 1 1 86 86 LYS C C 13 174.814 0.039 . 1 . 963 . . 86 LYS C . 17166 1
1054 . 1 1 86 86 LYS CA C 13 55.115 0.073 . 1 . 192 . . 86 LYS CA . 17166 1
1055 . 1 1 86 86 LYS CB C 13 34.309 0.089 . 1 . 193 . . 86 LYS CB . 17166 1
1056 . 1 1 86 86 LYS CD C 13 28.927 0.017 . 1 . 421 . . 86 LYS CD . 17166 1
1057 . 1 1 86 86 LYS CE C 13 42.180 0.038 . 1 . 420 . . 86 LYS CE . 17166 1
1058 . 1 1 86 86 LYS CG C 13 25.042 0.013 . 1 . 422 . . 86 LYS CG . 17166 1
1059 . 1 1 86 86 LYS N N 15 123.355 0.033 . 1 . 70 . . 86 LYS N . 17166 1
1060 . 1 1 87 87 ILE H H 1 8.539 0.008 . 1 . 53 . . 87 ILE H . 17166 1
1061 . 1 1 87 87 ILE HA H 1 4.901 0.01 . 1 . 500 . . 87 ILE HA . 17166 1
1062 . 1 1 87 87 ILE HB H 1 1.647 0.011 . 1 . 694 . . 87 ILE HB . 17166 1
1063 . 1 1 87 87 ILE HD11 H 1 0.743 0.005 . 1 . 736 . . 87 ILE HD11 . 17166 1
1064 . 1 1 87 87 ILE HD12 H 1 0.743 0.005 . 1 . 736 . . 87 ILE HD12 . 17166 1
1065 . 1 1 87 87 ILE HD13 H 1 0.743 0.005 . 1 . 736 . . 87 ILE HD13 . 17166 1
1066 . 1 1 87 87 ILE HG12 H 1 1.413 0.005 . 1 . 738 . . 87 ILE HG12 . 17166 1
1067 . 1 1 87 87 ILE HG13 H 1 0.692 0.018 . 1 . 739 . . 87 ILE HG13 . 17166 1
1068 . 1 1 87 87 ILE HG21 H 1 0.633 0.006 . 1 . 737 . . 87 ILE HG21 . 17166 1
1069 . 1 1 87 87 ILE HG22 H 1 0.633 0.006 . 1 . 737 . . 87 ILE HG22 . 17166 1
1070 . 1 1 87 87 ILE HG23 H 1 0.633 0.006 . 1 . 737 . . 87 ILE HG23 . 17166 1
1071 . 1 1 87 87 ILE C C 13 175.736 0.004 . 1 . 804 . . 87 ILE C . 17166 1
1072 . 1 1 87 87 ILE CA C 13 60.375 0.068 . 1 . 191 . . 87 ILE CA . 17166 1
1073 . 1 1 87 87 ILE CB C 13 39.740 0.06 . 1 . 190 . . 87 ILE CB . 17166 1
1074 . 1 1 87 87 ILE CD1 C 13 13.423 0.185 . 1 . 693 . . 87 ILE CD1 . 17166 1
1075 . 1 1 87 87 ILE CG1 C 13 28.408 0.131 . 1 . 400 . . 87 ILE CG1 . 17166 1
1076 . 1 1 87 87 ILE CG2 C 13 18.004 0.188 . 1 . 401 . . 87 ILE CG2 . 17166 1
1077 . 1 1 87 87 ILE N N 15 124.276 0.038 . 1 . 54 . . 87 ILE N . 17166 1
1078 . 1 1 88 88 VAL H H 1 9.042 0.009 . 1 . 5 . . 88 VAL H . 17166 1
1079 . 1 1 88 88 VAL HA H 1 4.343 0.008 . 1 . 512 . . 88 VAL HA . 17166 1
1080 . 1 1 88 88 VAL HB H 1 1.850 0.009 . 1 . 513 . . 88 VAL HB . 17166 1
1081 . 1 1 88 88 VAL HG11 H 1 0.949 0.014 . 1 . 514 . . 88 VAL HG11 . 17166 1
1082 . 1 1 88 88 VAL HG12 H 1 0.949 0.014 . 1 . 514 . . 88 VAL HG12 . 17166 1
1083 . 1 1 88 88 VAL HG13 H 1 0.949 0.014 . 1 . 514 . . 88 VAL HG13 . 17166 1
1084 . 1 1 88 88 VAL HG21 H 1 1.037 0.01 . 1 . 515 . . 88 VAL HG21 . 17166 1
1085 . 1 1 88 88 VAL HG22 H 1 1.037 0.01 . 1 . 515 . . 88 VAL HG22 . 17166 1
1086 . 1 1 88 88 VAL HG23 H 1 1.037 0.01 . 1 . 515 . . 88 VAL HG23 . 17166 1
1087 . 1 1 88 88 VAL C C 13 174.961 0.01 . 1 . 803 . . 88 VAL C . 17166 1
1088 . 1 1 88 88 VAL CA C 13 61.512 0.053 . 1 . 188 . . 88 VAL CA . 17166 1
1089 . 1 1 88 88 VAL CB C 13 34.576 0.147 . 1 . 189 . . 88 VAL CB . 17166 1
1090 . 1 1 88 88 VAL CG1 C 13 22.121 0.176 . 1 . 591 . . 88 VAL CG1 . 17166 1
1091 . 1 1 88 88 VAL CG2 C 13 21.662 0.056 . 1 . 592 . . 88 VAL CG2 . 17166 1
1092 . 1 1 88 88 VAL N N 15 129.414 0.046 . 1 . 6 . . 88 VAL N . 17166 1
1093 . 1 1 89 89 LYS H H 1 8.879 0.008 . 1 . 19 . . 89 LYS H . 17166 1
1094 . 1 1 89 89 LYS HA H 1 4.478 0.014 . 1 . 541 . . 89 LYS HA . 17166 1
1095 . 1 1 89 89 LYS HB2 H 1 1.842 0.012 . 1 . 1169 . . 89 LYS HB2 . 17166 1
1096 . 1 1 89 89 LYS HB3 H 1 1.789 0.022 . 1 . 965 . . 89 LYS HB3 . 17166 1
1097 . 1 1 89 89 LYS HD2 H 1 1.696 0.011 . 1 . 704 . . 89 LYS HD2 . 17166 1
1098 . 1 1 89 89 LYS HD3 H 1 1.697 0.01 . 1 . 705 . . 89 LYS HD3 . 17166 1
1099 . 1 1 89 89 LYS HE2 H 1 2.961 0.012 . 1 . 542 . . 89 LYS HE2 . 17166 1
1100 . 1 1 89 89 LYS HE3 H 1 2.962 0.011 . 1 . 543 . . 89 LYS HE3 . 17166 1
1101 . 1 1 89 89 LYS HG2 H 1 1.531 0.014 . 1 . 1167 . . 89 LYS HG2 . 17166 1
1102 . 1 1 89 89 LYS HG3 H 1 1.418 0.012 . 1 . 966 . . 89 LYS HG3 . 17166 1
1103 . 1 1 89 89 LYS C C 13 176.221 0.030 . 1 . 806 . . 89 LYS C . 17166 1
1104 . 1 1 89 89 LYS CA C 13 56.424 0.051 . 1 . 187 . . 89 LYS CA . 17166 1
1105 . 1 1 89 89 LYS CB C 13 33.825 0.075 . 1 . 430 . . 89 LYS CB . 17166 1
1106 . 1 1 89 89 LYS CD C 13 29.320 0.069 . 1 . 429 . . 89 LYS CD . 17166 1
1107 . 1 1 89 89 LYS CE C 13 41.977 0.125 . 1 . 428 . . 89 LYS CE . 17166 1
1108 . 1 1 89 89 LYS CG C 13 25.596 0.182 . 1 . 1168 . . 89 LYS CG . 17166 1
1109 . 1 1 89 89 LYS N N 15 127.660 0.055 . 1 . 20 . . 89 LYS N . 17166 1
1110 . 1 1 90 90 TRP H H 1 8.790 0.013 . 1 . 75 . . 90 TRP H . 17166 1
1111 . 1 1 90 90 TRP HA H 1 4.632 0.01 . 1 . 708 . . 90 TRP HA . 17166 1
1112 . 1 1 90 90 TRP HB2 H 1 3.525 0.017 . 1 . 498 . . 90 TRP HB2 . 17166 1
1113 . 1 1 90 90 TRP HB3 H 1 2.609 0.019 . 1 . 499 . . 90 TRP HB3 . 17166 1
1114 . 1 1 90 90 TRP HD1 H 1 7.184 0.012 . 1 . 771 . . 90 TRP HD1 . 17166 1
1115 . 1 1 90 90 TRP HE1 H 1 10.664 0.009 . 1 . 1101 . . 90 TRP HE1 . 17166 1
1116 . 1 1 90 90 TRP HE3 H 1 8.001 0.011 . 1 . 1108 . . 90 TRP HE3 . 17166 1
1117 . 1 1 90 90 TRP HH2 H 1 6.963 0.011 . 1 . 1104 . . 90 TRP HH2 . 17166 1
1118 . 1 1 90 90 TRP HZ2 H 1 7.646 0.01 . 1 . 1103 . . 90 TRP HZ2 . 17166 1
1119 . 1 1 90 90 TRP HZ3 H 1 7.542 0.011 . 1 . 1106 . . 90 TRP HZ3 . 17166 1
1120 . 1 1 90 90 TRP C C 13 174.468 0.030 . 1 . 805 . . 90 TRP C . 17166 1
1121 . 1 1 90 90 TRP CA C 13 56.833 0.133 . 1 . 237 . . 90 TRP CA . 17166 1
1122 . 1 1 90 90 TRP CB C 13 28.504 0.051 . 1 . 238 . . 90 TRP CB . 17166 1
1123 . 1 1 90 90 TRP CD1 C 13 125.198 0.137 . 1 . 772 . . 90 TRP CD1 . 17166 1
1124 . 1 1 90 90 TRP CE3 C 13 121.044 0.12 . 1 . 1109 . . 90 TRP CE3 . 17166 1
1125 . 1 1 90 90 TRP CH2 C 13 123.260 0.101 . 1 . 1107 . . 90 TRP CH2 . 17166 1
1126 . 1 1 90 90 TRP CZ2 C 13 113.131 0.097 . 1 . 1102 . . 90 TRP CZ2 . 17166 1
1127 . 1 1 90 90 TRP CZ3 C 13 121.620 0.148 . 1 . 1105 . . 90 TRP CZ3 . 17166 1
1128 . 1 1 90 90 TRP N N 15 122.629 0.026 . 1 . 76 . . 90 TRP N . 17166 1
1129 . 1 1 90 90 TRP NE1 N 15 129.872 0.006 . 1 . 1093 . . 90 TRP NE1 . 17166 1
1130 . 1 1 91 91 ASP H H 1 8.687 0.01 . 1 . 1 . . 91 ASP H . 17166 1
1131 . 1 1 91 91 ASP HA H 1 4.519 0.016 . 1 . 487 . . 91 ASP HA . 17166 1
1132 . 1 1 91 91 ASP HB2 H 1 2.799 0.009 . 1 . 665 . . 91 ASP HB2 . 17166 1
1133 . 1 1 91 91 ASP HB3 H 1 2.457 0.015 . 1 . 666 . . 91 ASP HB3 . 17166 1
1134 . 1 1 91 91 ASP C C 13 175.238 0.025 . 1 . 849 . . 91 ASP C . 17166 1
1135 . 1 1 91 91 ASP CA C 13 52.866 0.118 . 1 . 239 . . 91 ASP CA . 17166 1
1136 . 1 1 91 91 ASP CB C 13 41.679 0.066 . 1 . 240 . . 91 ASP CB . 17166 1
1137 . 1 1 91 91 ASP N N 15 131.855 0.032 . 1 . 2 . . 91 ASP N . 17166 1
1138 . 1 1 92 92 ARG H H 1 7.663 0.01 . 1 . 83 . . 92 ARG H . 17166 1
1139 . 1 1 92 92 ARG HA H 1 3.486 0.011 . 1 . 462 . . 92 ARG HA . 17166 1
1140 . 1 1 92 92 ARG HB2 H 1 1.400 0.011 . 1 . 843 . . 92 ARG HB2 . 17166 1
1141 . 1 1 92 92 ARG HB3 H 1 1.052 0.009 . 1 . 844 . . 92 ARG HB3 . 17166 1
1142 . 1 1 92 92 ARG HD2 H 1 2.962 0.005 . 1 . 847 . . 92 ARG HD2 . 17166 1
1143 . 1 1 92 92 ARG HD3 H 1 2.887 0.011 . 1 . 848 . . 92 ARG HD3 . 17166 1
1144 . 1 1 92 92 ARG HG2 H 1 1.163 0.011 . 1 . 845 . . 92 ARG HG2 . 17166 1
1145 . 1 1 92 92 ARG HG3 H 1 0.907 0.008 . 1 . 846 . . 92 ARG HG3 . 17166 1
1146 . 1 1 92 92 ARG C C 13 175.759 0.028 . 1 . 850 . . 92 ARG C . 17166 1
1147 . 1 1 92 92 ARG CA C 13 56.711 0.061 . 1 . 241 . . 92 ARG CA . 17166 1
1148 . 1 1 92 92 ARG CB C 13 30.078 0.068 . 1 . 242 . . 92 ARG CB . 17166 1
1149 . 1 1 92 92 ARG CD C 13 43.641 0.068 . 1 . 389 . . 92 ARG CD . 17166 1
1150 . 1 1 92 92 ARG CG C 13 25.113 0.093 . 1 . 390 . . 92 ARG CG . 17166 1
1151 . 1 1 92 92 ARG N N 15 121.885 0.03 . 1 . 84 . . 92 ARG N . 17166 1
1152 . 1 1 93 93 ASP H H 1 8.299 0.012 . 1 . 97 . . 93 ASP H . 17166 1
1153 . 1 1 93 93 ASP HA H 1 4.677 0.015 . 1 . 494 . . 93 ASP HA . 17166 1
1154 . 1 1 93 93 ASP HB2 H 1 2.589 0.009 . 1 . 611 . . 93 ASP HB2 . 17166 1
1155 . 1 1 93 93 ASP HB3 H 1 2.791 0.011 . 1 . 612 . . 93 ASP HB3 . 17166 1
1156 . 1 1 93 93 ASP C C 13 175.298 0.003 . 1 . 866 . . 93 ASP C . 17166 1
1157 . 1 1 93 93 ASP CA C 13 54.694 0.071 . 1 . 243 . . 93 ASP CA . 17166 1
1158 . 1 1 93 93 ASP CB C 13 41.171 0.073 . 1 . 244 . . 93 ASP CB . 17166 1
1159 . 1 1 93 93 ASP N N 15 120.370 0.025 . 1 . 98 . . 93 ASP N . 17166 1
1160 . 1 1 94 94 MET H H 1 7.617 0.013 . 1 . 41 . . 94 MET H . 17166 1
1161 . 1 1 94 94 MET HA H 1 4.269 0.005 . 1 . 635 . . 94 MET HA . 17166 1
1162 . 1 1 94 94 MET HB2 H 1 2.156 0.009 . 1 . 951 . . 94 MET HB2 . 17166 1
1163 . 1 1 94 94 MET HB3 H 1 2.030 0.004 . 1 . 952 . . 94 MET HB3 . 17166 1
1164 . 1 1 94 94 MET HG2 H 1 2.585 0.005 . 1 . 637 . . 94 MET HG2 . 17166 1
1165 . 1 1 94 94 MET HG3 H 1 2.523 0.007 . 1 . 638 . . 94 MET HG3 . 17166 1
1166 . 1 1 94 94 MET C C 13 180.885 0.030 . 1 . 992 . . 94 MET C . 17166 1
1167 . 1 1 94 94 MET CA C 13 57.363 0.098 . 1 . 245 . . 94 MET CA . 17166 1
1168 . 1 1 94 94 MET CB C 13 34.091 0.064 . 1 . 246 . . 94 MET CB . 17166 1
1169 . 1 1 94 94 MET CG C 13 32.390 0.049 . 1 . 636 . . 94 MET CG . 17166 1
1170 . 1 1 94 94 MET N N 15 125.332 0.028 . 1 . 42 . . 94 MET N . 17166 1
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