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 18806
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D HNCACB' . . isotropic 18806 1
2 '2D 1H-15N HSQC/HMQC' . . isotropic 18806 1
3 'Expt_5 (H[N[co[{CA|ca[C]}]]])' . . isotropic 18806 1
4 '3D HNCO' . . isotropic 18806 1
5 '3D C(CO)NH' . . isotropic 18806 1
6 '2D 1H-13C HSQC/HMQC' . . isotropic 18806 1
7 '3D HCCH-TOCSY' . . isotropic 18806 1
8 '3D 1H-15N NOESY' . . isotropic 18806 1
9 '3D 1H-15N TOCSY' . . isotropic 18806 1
10 '3D 1H-13C NOESY' . . isotropic 18806 1
11 '3D 1H-13C NOESY' . . isotropic 18806 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 HE1 H 1 1.616 0.013 . 1 . 639 . A 1 MET HE1 . 18806 1
2 . 1 1 1 1 MET HE2 H 1 1.616 0.013 . 1 . 639 . A 1 MET HE2 . 18806 1
3 . 1 1 1 1 MET HE3 H 1 1.616 0.013 . 1 . 639 . A 1 MET HE3 . 18806 1
4 . 1 1 1 1 MET CE C 13 19.935 0.024 . 1 . 638 . A 1 MET CE . 18806 1
5 . 1 1 3 3 PRO HA H 1 4.147 0.006 . 1 . 770 . A 3 PRO HA . 18806 1
6 . 1 1 3 3 PRO HB2 H 1 1.312 0.009 . 2 . 774 . A 3 PRO HB2 . 18806 1
7 . 1 1 3 3 PRO HB3 H 1 1.923 0.01 . 2 . 773 . A 3 PRO HB3 . 18806 1
8 . 1 1 3 3 PRO HG2 H 1 1.693 0.01 . 1 . 776 . A 3 PRO HG2 . 18806 1
9 . 1 1 3 3 PRO HG3 H 1 1.693 0.01 . 1 . 951 . A 3 PRO HG3 . 18806 1
10 . 1 1 3 3 PRO HD2 H 1 3.477 0.012 . 2 . 772 . A 3 PRO HD2 . 18806 1
11 . 1 1 3 3 PRO HD3 H 1 3.614 0.01 . 2 . 771 . A 3 PRO HD3 . 18806 1
12 . 1 1 3 3 PRO C C 13 176.083 . . 1 . 454 . A 3 PRO C . 18806 1
13 . 1 1 3 3 PRO CA C 13 63.415 0.077 . 1 . 93 . A 3 PRO CA . 18806 1
14 . 1 1 3 3 PRO CB C 13 31.877 0.043 . 1 . 92 . A 3 PRO CB . 18806 1
15 . 1 1 3 3 PRO CG C 13 27.125 . . 1 . 584 . A 3 PRO CG . 18806 1
16 . 1 1 3 3 PRO CD C 13 50.236 . . 1 . 585 . A 3 PRO CD . 18806 1
17 . 1 1 4 4 TYR H H 1 7.959 0.008 . 1 . 88 . A 4 TYR H . 18806 1
18 . 1 1 4 4 TYR HA H 1 4.460 0.013 . 1 . 874 . A 4 TYR HA . 18806 1
19 . 1 1 4 4 TYR HB2 H 1 2.651 0.013 . 2 . 873 . A 4 TYR HB2 . 18806 1
20 . 1 1 4 4 TYR HB3 H 1 2.825 0.012 . 2 . 872 . A 4 TYR HB3 . 18806 1
21 . 1 1 4 4 TYR HD1 H 1 6.888 0.01 . 3 . 945 . A 4 TYR HD1 . 18806 1
22 . 1 1 4 4 TYR HD2 H 1 6.888 0.01 . 3 . 945 . A 4 TYR HD2 . 18806 1
23 . 1 1 4 4 TYR HE1 H 1 6.702 0.001 . 3 . 1185 . A 4 TYR HE1 . 18806 1
24 . 1 1 4 4 TYR HE2 H 1 6.702 0.001 . 3 . 1185 . A 4 TYR HE2 . 18806 1
25 . 1 1 4 4 TYR C C 13 174.569 . . 1 . 453 . A 4 TYR C . 18806 1
26 . 1 1 4 4 TYR CA C 13 56.770 0.044 . 1 . 90 . A 4 TYR CA . 18806 1
27 . 1 1 4 4 TYR CB C 13 38.430 0.058 . 1 . 91 . A 4 TYR CB . 18806 1
28 . 1 1 4 4 TYR CD1 C 13 135.925 0.069 . 3 . 1184 . A 4 TYR CD1 . 18806 1
29 . 1 1 4 4 TYR CD2 C 13 135.925 0.069 . 3 . 1184 . A 4 TYR CD2 . 18806 1
30 . 1 1 4 4 TYR N N 15 117.838 0.034 . 1 . 89 . A 4 TYR N . 18806 1
31 . 1 1 5 5 GLN H H 1 8.544 0.008 . 1 . 84 . A 5 GLN H . 18806 1
32 . 1 1 5 5 GLN HA H 1 4.877 0.013 . 1 . 794 . A 5 GLN HA . 18806 1
33 . 1 1 5 5 GLN HB2 H 1 1.708 0.008 . 1 . 795 . A 5 GLN HB2 . 18806 1
34 . 1 1 5 5 GLN HB3 H 1 1.708 0.008 . 1 . 796 . A 5 GLN HB3 . 18806 1
35 . 1 1 5 5 GLN HG2 H 1 2.020 0.015 . 1 . 798 . A 5 GLN HG2 . 18806 1
36 . 1 1 5 5 GLN HG3 H 1 2.020 0.015 . 1 . 797 . A 5 GLN HG3 . 18806 1
37 . 1 1 5 5 GLN C C 13 175.122 . . 1 . 452 . A 5 GLN C . 18806 1
38 . 1 1 5 5 GLN CA C 13 54.558 0.078 . 1 . 86 . A 5 GLN CA . 18806 1
39 . 1 1 5 5 GLN CB C 13 31.592 0.062 . 1 . 87 . A 5 GLN CB . 18806 1
40 . 1 1 5 5 GLN CG C 13 33.813 0.038 . 1 . 583 . A 5 GLN CG . 18806 1
41 . 1 1 5 5 GLN N N 15 123.036 0.04 . 1 . 85 . A 5 GLN N . 18806 1
42 . 1 1 6 6 CYS H H 1 9.125 0.011 . 1 . 241 . A 6 CYS H . 18806 1
43 . 1 1 6 6 CYS HA H 1 4.277 0.014 . 1 . 695 . A 6 CYS HA . 18806 1
44 . 1 1 6 6 CYS HB2 H 1 3.368 0.012 . 2 . 697 . A 6 CYS HB2 . 18806 1
45 . 1 1 6 6 CYS HB3 H 1 2.863 0.013 . 2 . 696 . A 6 CYS HB3 . 18806 1
46 . 1 1 6 6 CYS C C 13 176.578 . . 1 . 451 . A 6 CYS C . 18806 1
47 . 1 1 6 6 CYS CA C 13 60.245 0.074 . 1 . 244 . A 6 CYS CA . 18806 1
48 . 1 1 6 6 CYS CB C 13 30.278 0.048 . 1 . 243 . A 6 CYS CB . 18806 1
49 . 1 1 6 6 CYS N N 15 125.821 0.031 . 1 . 242 . A 6 CYS N . 18806 1
50 . 1 1 7 7 ASP H H 1 8.738 0.014 . 1 . 237 . A 7 ASP H . 18806 1
51 . 1 1 7 7 ASP HA H 1 4.216 0.012 . 1 . 670 . A 7 ASP HA . 18806 1
52 . 1 1 7 7 ASP HB2 H 1 1.901 0.012 . 2 . 672 . A 7 ASP HB2 . 18806 1
53 . 1 1 7 7 ASP HB3 H 1 2.309 0.013 . 2 . 671 . A 7 ASP HB3 . 18806 1
54 . 1 1 7 7 ASP C C 13 175.676 . . 1 . 450 . A 7 ASP C . 18806 1
55 . 1 1 7 7 ASP CA C 13 56.350 0.063 . 1 . 239 . A 7 ASP CA . 18806 1
56 . 1 1 7 7 ASP CB C 13 40.743 0.079 . 1 . 240 . A 7 ASP CB . 18806 1
57 . 1 1 7 7 ASP N N 15 129.841 0.02 . 1 . 238 . A 7 ASP N . 18806 1
58 . 1 1 8 8 TYR H H 1 8.935 0.011 . 1 . 233 . A 8 TYR H . 18806 1
59 . 1 1 8 8 TYR HA H 1 4.240 0.007 . 1 . 781 . A 8 TYR HA . 18806 1
60 . 1 1 8 8 TYR HB2 H 1 1.752 0.01 . 2 . 1179 . A 8 TYR HB2 . 18806 1
61 . 1 1 8 8 TYR HB3 H 1 2.384 0.014 . 2 . 780 . A 8 TYR HB3 . 18806 1
62 . 1 1 8 8 TYR HD1 H 1 6.692 0.013 . 3 . 943 . A 8 TYR HD1 . 18806 1
63 . 1 1 8 8 TYR HD2 H 1 6.692 0.013 . 3 . 943 . A 8 TYR HD2 . 18806 1
64 . 1 1 8 8 TYR HE1 H 1 6.649 0.004 . 3 . 1211 . A 8 TYR HE1 . 18806 1
65 . 1 1 8 8 TYR HE2 H 1 6.649 0.004 . 3 . 1211 . A 8 TYR HE2 . 18806 1
66 . 1 1 8 8 TYR C C 13 176.440 . . 1 . 449 . A 8 TYR C . 18806 1
67 . 1 1 8 8 TYR CA C 13 59.546 0.038 . 1 . 235 . A 8 TYR CA . 18806 1
68 . 1 1 8 8 TYR CB C 13 38.060 0.079 . 1 . 236 . A 8 TYR CB . 18806 1
69 . 1 1 8 8 TYR CD1 C 13 135.572 0.061 . 3 . 1186 . A 8 TYR CD1 . 18806 1
70 . 1 1 8 8 TYR CD2 C 13 135.572 0.061 . 3 . 1186 . A 8 TYR CD2 . 18806 1
71 . 1 1 8 8 TYR CE1 C 13 121.095 0.057 . 3 . 1212 . A 8 TYR CE1 . 18806 1
72 . 1 1 8 8 TYR CE2 C 13 121.095 0.057 . 3 . 1212 . A 8 TYR CE2 . 18806 1
73 . 1 1 8 8 TYR N N 15 119.023 0.036 . 1 . 234 . A 8 TYR N . 18806 1
74 . 1 1 9 9 CYS H H 1 8.105 0.009 . 1 . 229 . A 9 CYS H . 18806 1
75 . 1 1 9 9 CYS HA H 1 5.038 0.011 . 1 . 894 . A 9 CYS HA . 18806 1
76 . 1 1 9 9 CYS HB2 H 1 2.886 0.014 . 2 . 896 . A 9 CYS HB2 . 18806 1
77 . 1 1 9 9 CYS HB3 H 1 3.342 0.011 . 2 . 895 . A 9 CYS HB3 . 18806 1
78 . 1 1 9 9 CYS C C 13 175.815 . . 1 . 448 . A 9 CYS C . 18806 1
79 . 1 1 9 9 CYS CA C 13 58.310 0.043 . 1 . 231 . A 9 CYS CA . 18806 1
80 . 1 1 9 9 CYS CB C 13 32.273 0.036 . 1 . 232 . A 9 CYS CB . 18806 1
81 . 1 1 9 9 CYS N N 15 115.815 0.047 . 1 . 230 . A 9 CYS N . 18806 1
82 . 1 1 10 10 GLY H H 1 7.985 0.013 . 1 . 82 . A 10 GLY H . 18806 1
83 . 1 1 10 10 GLY HA2 H 1 4.050 0.01 . 2 . 801 . A 10 GLY HA2 . 18806 1
84 . 1 1 10 10 GLY HA3 H 1 3.753 0.011 . 2 . 799 . A 10 GLY HA3 . 18806 1
85 . 1 1 10 10 GLY C C 13 173.932 . . 1 . 447 . A 10 GLY C . 18806 1
86 . 1 1 10 10 GLY CA C 13 46.039 0.043 . 1 . 802 . A 10 GLY CA . 18806 1
87 . 1 1 10 10 GLY N N 15 111.402 0.04 . 1 . 83 . A 10 GLY N . 18806 1
88 . 1 1 11 11 ARG H H 1 7.928 0.008 . 1 . 79 . A 11 ARG H . 18806 1
89 . 1 1 11 11 ARG HA H 1 3.928 0.014 . 1 . 699 . A 11 ARG HA . 18806 1
90 . 1 1 11 11 ARG HB2 H 1 1.197 0.015 . 2 . 708 . A 11 ARG HB2 . 18806 1
91 . 1 1 11 11 ARG HB3 H 1 1.346 0.013 . 2 . 706 . A 11 ARG HB3 . 18806 1
92 . 1 1 11 11 ARG HG2 H 1 1.668 0.015 . 2 . 710 . A 11 ARG HG2 . 18806 1
93 . 1 1 11 11 ARG HG3 H 1 1.704 0.011 . 2 . 709 . A 11 ARG HG3 . 18806 1
94 . 1 1 11 11 ARG HD2 H 1 2.752 0.014 . 2 . 701 . A 11 ARG HD2 . 18806 1
95 . 1 1 11 11 ARG HD3 H 1 2.949 0.011 . 2 . 700 . A 11 ARG HD3 . 18806 1
96 . 1 1 11 11 ARG C C 13 174.220 . . 1 . 446 . A 11 ARG C . 18806 1
97 . 1 1 11 11 ARG CA C 13 57.602 0.011 . 1 . 81 . A 11 ARG CA . 18806 1
98 . 1 1 11 11 ARG CB C 13 31.248 0.044 . 1 . 707 . A 11 ARG CB . 18806 1
99 . 1 1 11 11 ARG CG C 13 27.904 0.008 . 1 . 581 . A 11 ARG CG . 18806 1
100 . 1 1 11 11 ARG CD C 13 43.278 0.019 . 1 . 582 . A 11 ARG CD . 18806 1
101 . 1 1 11 11 ARG N N 15 122.427 0.035 . 1 . 80 . A 11 ARG N . 18806 1
102 . 1 1 12 12 SER H H 1 7.890 0.011 . 1 . 75 . A 12 SER H . 18806 1
103 . 1 1 12 12 SER HA H 1 4.896 0.009 . 1 . 1155 . A 12 SER HA . 18806 1
104 . 1 1 12 12 SER HB2 H 1 3.486 0.009 . 1 . 1156 . A 12 SER HB2 . 18806 1
105 . 1 1 12 12 SER HB3 H 1 3.486 0.009 . 1 . 1157 . A 12 SER HB3 . 18806 1
106 . 1 1 12 12 SER C C 13 172.775 . . 1 . 445 . A 12 SER C . 18806 1
107 . 1 1 12 12 SER CA C 13 57.311 0.033 . 1 . 77 . A 12 SER CA . 18806 1
108 . 1 1 12 12 SER CB C 13 65.516 0.068 . 1 . 78 . A 12 SER CB . 18806 1
109 . 1 1 12 12 SER N N 15 115.605 0.048 . 1 . 76 . A 12 SER N . 18806 1
110 . 1 1 13 13 PHE H H 1 8.392 0.01 . 1 . 67 . A 13 PHE H . 18806 1
111 . 1 1 13 13 PHE HA H 1 4.591 0.009 . 1 . 877 . A 13 PHE HA . 18806 1
112 . 1 1 13 13 PHE HB2 H 1 2.574 0.014 . 2 . 876 . A 13 PHE HB2 . 18806 1
113 . 1 1 13 13 PHE HB3 H 1 3.293 0.012 . 2 . 875 . A 13 PHE HB3 . 18806 1
114 . 1 1 13 13 PHE HD1 H 1 7.020 0.012 . 3 . 944 . A 13 PHE HD1 . 18806 1
115 . 1 1 13 13 PHE HD2 H 1 7.020 0.012 . 3 . 944 . A 13 PHE HD2 . 18806 1
116 . 1 1 13 13 PHE HZ H 1 5.872 0.004 . 1 . 1227 . A 13 PHE HZ . 18806 1
117 . 1 1 13 13 PHE C C 13 175.330 . . 1 . 444 . A 13 PHE C . 18806 1
118 . 1 1 13 13 PHE CA C 13 57.369 0.03 . 1 . 69 . A 13 PHE CA . 18806 1
119 . 1 1 13 13 PHE CB C 13 43.443 0.065 . 1 . 70 . A 13 PHE CB . 18806 1
120 . 1 1 13 13 PHE CD1 C 13 134.878 0.06 . 3 . 1216 . A 13 PHE CD1 . 18806 1
121 . 1 1 13 13 PHE CD2 C 13 134.878 0.06 . 3 . 1216 . A 13 PHE CD2 . 18806 1
122 . 1 1 13 13 PHE CZ C 13 131.642 0.0 . 1 . 1226 . A 13 PHE CZ . 18806 1
123 . 1 1 13 13 PHE N N 15 118.534 0.06 . 1 . 68 . A 13 PHE N . 18806 1
124 . 1 1 14 14 SER H H 1 9.090 0.003 . 1 . 71 . A 14 SER H . 18806 1
125 . 1 1 14 14 SER HA H 1 4.491 0.006 . 1 . 1147 . A 14 SER HA . 18806 1
126 . 1 1 14 14 SER HB2 H 1 3.940 0.013 . 1 . 1148 . A 14 SER HB2 . 18806 1
127 . 1 1 14 14 SER HB3 H 1 3.940 0.013 . 1 . 1149 . A 14 SER HB3 . 18806 1
128 . 1 1 14 14 SER C C 13 173.113 . . 1 . 443 . A 14 SER C . 18806 1
129 . 1 1 14 14 SER CA C 13 59.545 0.061 . 1 . 73 . A 14 SER CA . 18806 1
130 . 1 1 14 14 SER CB C 13 64.037 0.072 . 1 . 74 . A 14 SER CB . 18806 1
131 . 1 1 14 14 SER N N 15 114.545 0.046 . 1 . 72 . A 14 SER N . 18806 1
132 . 1 1 15 15 ASP H H 1 7.443 0.007 . 1 . 63 . A 15 ASP H . 18806 1
133 . 1 1 15 15 ASP HA H 1 4.704 0.009 . 1 . 779 . A 15 ASP HA . 18806 1
134 . 1 1 15 15 ASP HB2 H 1 2.561 0.015 . 2 . 778 . A 15 ASP HB2 . 18806 1
135 . 1 1 15 15 ASP HB3 H 1 2.724 0.012 . 2 . 777 . A 15 ASP HB3 . 18806 1
136 . 1 1 15 15 ASP CA C 13 51.697 0.049 . 1 . 65 . A 15 ASP CA . 18806 1
137 . 1 1 15 15 ASP CB C 13 42.344 0.075 . 1 . 66 . A 15 ASP CB . 18806 1
138 . 1 1 15 15 ASP N N 15 117.860 0.028 . 1 . 64 . A 15 ASP N . 18806 1
139 . 1 1 16 16 PRO HA H 1 3.556 0.011 . 1 . 1214 . A 16 PRO HA . 18806 1
140 . 1 1 16 16 PRO HB2 H 1 1.864 0.009 . 1 . 1153 . A 16 PRO HB2 . 18806 1
141 . 1 1 16 16 PRO HB3 H 1 1.864 0.009 . 1 . 1152 . A 16 PRO HB3 . 18806 1
142 . 1 1 16 16 PRO HD2 H 1 3.032 0.014 . 2 . 1151 . A 16 PRO HD2 . 18806 1
143 . 1 1 16 16 PRO HD3 H 1 3.595 0.015 . 2 . 1150 . A 16 PRO HD3 . 18806 1
144 . 1 1 16 16 PRO C C 13 178.801 . . 1 . 442 . A 16 PRO C . 18806 1
145 . 1 1 16 16 PRO CA C 13 64.377 0.038 . 1 . 158 . A 16 PRO CA . 18806 1
146 . 1 1 16 16 PRO CB C 13 31.568 0.07 . 1 . 159 . A 16 PRO CB . 18806 1
147 . 1 1 16 16 PRO CG C 13 26.727 . . 1 . 579 . A 16 PRO CG . 18806 1
148 . 1 1 16 16 PRO CD C 13 49.900 0.0 . 1 . 580 . A 16 PRO CD . 18806 1
149 . 1 1 17 17 THR H H 1 7.858 0.007 . 1 . 154 . A 17 THR H . 18806 1
150 . 1 1 17 17 THR HA H 1 3.759 0.015 . 1 . 627 . A 17 THR HA . 18806 1
151 . 1 1 17 17 THR HB H 1 4.031 0.009 . 1 . 626 . A 17 THR HB . 18806 1
152 . 1 1 17 17 THR HG21 H 1 1.038 0.013 . 1 . 625 . A 17 THR HG21 . 18806 1
153 . 1 1 17 17 THR HG22 H 1 1.038 0.013 . 1 . 625 . A 17 THR HG22 . 18806 1
154 . 1 1 17 17 THR HG23 H 1 1.038 0.013 . 1 . 625 . A 17 THR HG23 . 18806 1
155 . 1 1 17 17 THR C C 13 176.424 . . 1 . 441 . A 17 THR C . 18806 1
156 . 1 1 17 17 THR CA C 13 66.554 0.065 . 1 . 156 . A 17 THR CA . 18806 1
157 . 1 1 17 17 THR CB C 13 67.664 0.057 . 1 . 157 . A 17 THR CB . 18806 1
158 . 1 1 17 17 THR CG2 C 13 21.805 0.071 . 1 . 578 . A 17 THR CG2 . 18806 1
159 . 1 1 17 17 THR N N 15 117.621 0.047 . 1 . 155 . A 17 THR N . 18806 1
160 . 1 1 18 18 SER H H 1 8.654 0.006 . 1 . 259 . A 18 SER H . 18806 1
161 . 1 1 18 18 SER HA H 1 3.871 0.008 . 1 . 1144 . A 18 SER HA . 18806 1
162 . 1 1 18 18 SER HB2 H 1 3.799 0.013 . 1 . 1146 . A 18 SER HB2 . 18806 1
163 . 1 1 18 18 SER HB3 H 1 3.799 0.013 . 1 . 1145 . A 18 SER HB3 . 18806 1
164 . 1 1 18 18 SER C C 13 177.038 . . 1 . 440 . A 18 SER C . 18806 1
165 . 1 1 18 18 SER CA C 13 61.906 0.051 . 1 . 261 . A 18 SER CA . 18806 1
166 . 1 1 18 18 SER CB C 13 61.877 0.016 . 1 . 1180 . A 18 SER CB . 18806 1
167 . 1 1 18 18 SER N N 15 119.883 0.026 . 1 . 260 . A 18 SER N . 18806 1
168 . 1 1 19 19 LYS H H 1 6.760 0.009 . 1 . 341 . A 19 LYS H . 18806 1
169 . 1 1 19 19 LYS HA H 1 2.613 0.007 . 1 . 1215 . A 19 LYS HA . 18806 1
170 . 1 1 19 19 LYS HB2 H 1 1.396 0.014 . 2 . 1161 . A 19 LYS HB2 . 18806 1
171 . 1 1 19 19 LYS HB3 H 1 1.593 0.014 . 2 . 1160 . A 19 LYS HB3 . 18806 1
172 . 1 1 19 19 LYS HG2 H 1 0.997 0.008 . 1 . 1162 . A 19 LYS HG2 . 18806 1
173 . 1 1 19 19 LYS HG3 H 1 0.997 0.008 . 1 . 1163 . A 19 LYS HG3 . 18806 1
174 . 1 1 19 19 LYS HE2 H 1 2.793 0.012 . 1 . 1182 . A 19 LYS HE2 . 18806 1
175 . 1 1 19 19 LYS HE3 H 1 2.793 0.012 . 1 . 1181 . A 19 LYS HE3 . 18806 1
176 . 1 1 19 19 LYS C C 13 176.639 . . 1 . 482 . A 19 LYS C . 18806 1
177 . 1 1 19 19 LYS CA C 13 59.487 0.059 . 1 . 343 . A 19 LYS CA . 18806 1
178 . 1 1 19 19 LYS CB C 13 31.586 0.011 . 1 . 344 . A 19 LYS CB . 18806 1
179 . 1 1 19 19 LYS CG C 13 25.300 0.002 . 1 . 575 . A 19 LYS CG . 18806 1
180 . 1 1 19 19 LYS CD C 13 28.802 . . 1 . 576 . A 19 LYS CD . 18806 1
181 . 1 1 19 19 LYS CE C 13 43.094 . . 1 . 577 . A 19 LYS CE . 18806 1
182 . 1 1 19 19 LYS N N 15 121.563 0.025 . 1 . 342 . A 19 LYS N . 18806 1
183 . 1 1 20 20 MET H H 1 7.831 0.01 . 1 . 480 . A 20 MET H . 18806 1
184 . 1 1 20 20 MET HA H 1 3.927 0.012 . 1 . 763 . A 20 MET HA . 18806 1
185 . 1 1 20 20 MET HB2 H 1 2.527 0.014 . 2 . 762 . A 20 MET HB2 . 18806 1
186 . 1 1 20 20 MET HB3 H 1 2.496 0.014 . 2 . 761 . A 20 MET HB3 . 18806 1
187 . 1 1 20 20 MET HG2 H 1 2.049 0.013 . 1 . 760 . A 20 MET HG2 . 18806 1
188 . 1 1 20 20 MET HG3 H 1 2.049 0.013 . 1 . 759 . A 20 MET HG3 . 18806 1
189 . 1 1 20 20 MET HE1 H 1 1.933 0.014 . 1 . 606 . A 20 MET HE1 . 18806 1
190 . 1 1 20 20 MET HE2 H 1 1.933 0.014 . 1 . 606 . A 20 MET HE2 . 18806 1
191 . 1 1 20 20 MET HE3 H 1 1.933 0.014 . 1 . 606 . A 20 MET HE3 . 18806 1
192 . 1 1 20 20 MET C C 13 178.910 . . 1 . 439 . A 20 MET C . 18806 1
193 . 1 1 20 20 MET CA C 13 58.719 0.028 . 1 . 354 . A 20 MET CA . 18806 1
194 . 1 1 20 20 MET CB C 13 31.756 0.074 . 1 . 353 . A 20 MET CB . 18806 1
195 . 1 1 20 20 MET CG C 13 31.692 0.036 . 1 . 574 . A 20 MET CG . 18806 1
196 . 1 1 20 20 MET CE C 13 16.780 0.058 . 1 . 607 . A 20 MET CE . 18806 1
197 . 1 1 20 20 MET N N 15 118.908 0.012 . 1 . 481 . A 20 MET N . 18806 1
198 . 1 1 21 21 ARG H H 1 8.066 0.01 . 1 . 351 . A 21 ARG H . 18806 1
199 . 1 1 21 21 ARG HA H 1 3.905 0.008 . 1 . 968 . A 21 ARG HA . 18806 1
200 . 1 1 21 21 ARG HB2 H 1 1.648 0.015 . 1 . 947 . A 21 ARG HB2 . 18806 1
201 . 1 1 21 21 ARG HB3 H 1 1.648 0.015 . 1 . 946 . A 21 ARG HB3 . 18806 1
202 . 1 1 21 21 ARG HG2 H 1 1.513 0.01 . 1 . 948 . A 21 ARG HG2 . 18806 1
203 . 1 1 21 21 ARG HG3 H 1 1.513 0.01 . 1 . 949 . A 21 ARG HG3 . 18806 1
204 . 1 1 21 21 ARG HD2 H 1 2.995 0.015 . 1 . 969 . A 21 ARG HD2 . 18806 1
205 . 1 1 21 21 ARG HD3 H 1 2.995 0.015 . 1 . 970 . A 21 ARG HD3 . 18806 1
206 . 1 1 21 21 ARG C C 13 179.107 . . 1 . 438 . A 21 ARG C . 18806 1
207 . 1 1 21 21 ARG CA C 13 58.807 0.029 . 1 . 280 . A 21 ARG CA . 18806 1
208 . 1 1 21 21 ARG CB C 13 30.101 0.061 . 1 . 279 . A 21 ARG CB . 18806 1
209 . 1 1 21 21 ARG CG C 13 27.802 0.004 . 1 . 572 . A 21 ARG CG . 18806 1
210 . 1 1 21 21 ARG CD C 13 43.078 . . 1 . 573 . A 21 ARG CD . 18806 1
211 . 1 1 21 21 ARG N N 15 118.164 0.029 . 1 . 352 . A 21 ARG N . 18806 1
212 . 1 1 22 22 HIS H H 1 7.374 0.008 . 1 . 268 . A 22 HIS H . 18806 1
213 . 1 1 22 22 HIS HA H 1 4.167 0.01 . 1 . 910 . A 22 HIS HA . 18806 1
214 . 1 1 22 22 HIS HB2 H 1 2.715 0.011 . 2 . 912 . A 22 HIS HB2 . 18806 1
215 . 1 1 22 22 HIS HB3 H 1 2.858 0.011 . 2 . 911 . A 22 HIS HB3 . 18806 1
216 . 1 1 22 22 HIS HD2 H 1 6.966 0.004 . 1 . 1191 . A 22 HIS HD2 . 18806 1
217 . 1 1 22 22 HIS C C 13 178.014 . . 1 . 479 . A 22 HIS C . 18806 1
218 . 1 1 22 22 HIS CA C 13 58.912 0.066 . 1 . 207 . A 22 HIS CA . 18806 1
219 . 1 1 22 22 HIS CB C 13 27.921 0.078 . 1 . 208 . A 22 HIS CB . 18806 1
220 . 1 1 22 22 HIS CD2 C 13 130.823 0.0 . 1 . 1192 . A 22 HIS CD2 . 18806 1
221 . 1 1 22 22 HIS N N 15 117.794 0.023 . 1 . 269 . A 22 HIS N . 18806 1
222 . 1 1 23 23 LEU H H 1 8.385 0.01 . 1 . 477 . A 23 LEU H . 18806 1
223 . 1 1 23 23 LEU HA H 1 3.784 0.013 . 1 . 647 . A 23 LEU HA . 18806 1
224 . 1 1 23 23 LEU HB2 H 1 1.598 0.014 . 2 . 649 . A 23 LEU HB2 . 18806 1
225 . 1 1 23 23 LEU HB3 H 1 1.912 0.012 . 2 . 648 . A 23 LEU HB3 . 18806 1
226 . 1 1 23 23 LEU HD11 H 1 1.146 0.014 . 2 . 650 . A 23 LEU HD11 . 18806 1
227 . 1 1 23 23 LEU HD12 H 1 1.146 0.014 . 2 . 650 . A 23 LEU HD12 . 18806 1
228 . 1 1 23 23 LEU HD13 H 1 1.146 0.014 . 2 . 650 . A 23 LEU HD13 . 18806 1
229 . 1 1 23 23 LEU HD21 H 1 1.002 0.013 . 2 . 651 . A 23 LEU HD21 . 18806 1
230 . 1 1 23 23 LEU HD22 H 1 1.002 0.013 . 2 . 651 . A 23 LEU HD22 . 18806 1
231 . 1 1 23 23 LEU HD23 H 1 1.002 0.013 . 2 . 651 . A 23 LEU HD23 . 18806 1
232 . 1 1 23 23 LEU C C 13 179.021 . . 1 . 476 . A 23 LEU C . 18806 1
233 . 1 1 23 23 LEU CA C 13 58.592 0.067 . 1 . 474 . A 23 LEU CA . 18806 1
234 . 1 1 23 23 LEU CB C 13 41.658 0.064 . 1 . 475 . A 23 LEU CB . 18806 1
235 . 1 1 23 23 LEU CD1 C 13 24.716 0.047 . 2 . 570 . A 23 LEU CD1 . 18806 1
236 . 1 1 23 23 LEU CD2 C 13 25.930 0.044 . 2 . 571 . A 23 LEU CD2 . 18806 1
237 . 1 1 23 23 LEU N N 15 122.319 0.052 . 1 . 478 . A 23 LEU N . 18806 1
238 . 1 1 24 24 GLU H H 1 7.122 0.012 . 1 . 472 . A 24 GLU H . 18806 1
239 . 1 1 24 24 GLU HA H 1 3.992 0.012 . 1 . 673 . A 24 GLU HA . 18806 1
240 . 1 1 24 24 GLU HB2 H 1 1.983 0.011 . 1 . 674 . A 24 GLU HB2 . 18806 1
241 . 1 1 24 24 GLU HB3 H 1 1.983 0.011 . 1 . 675 . A 24 GLU HB3 . 18806 1
242 . 1 1 24 24 GLU HG2 H 1 2.200 0.014 . 2 . 677 . A 24 GLU HG2 . 18806 1
243 . 1 1 24 24 GLU HG3 H 1 2.400 0.011 . 2 . 676 . A 24 GLU HG3 . 18806 1
244 . 1 1 24 24 GLU C C 13 178.251 . . 1 . 437 . A 24 GLU C . 18806 1
245 . 1 1 24 24 GLU CA C 13 58.329 0.058 . 1 . 290 . A 24 GLU CA . 18806 1
246 . 1 1 24 24 GLU CB C 13 29.417 0.073 . 1 . 291 . A 24 GLU CB . 18806 1
247 . 1 1 24 24 GLU CG C 13 36.091 0.055 . 1 . 569 . A 24 GLU CG . 18806 1
248 . 1 1 24 24 GLU N N 15 116.297 0.04 . 1 . 473 . A 24 GLU N . 18806 1
249 . 1 1 25 25 THR H H 1 7.557 0.01 . 1 . 288 . A 25 THR H . 18806 1
250 . 1 1 25 25 THR HA H 1 4.010 0.013 . 1 . 622 . A 25 THR HA . 18806 1
251 . 1 1 25 25 THR HB H 1 3.921 0.014 . 1 . 623 . A 25 THR HB . 18806 1
252 . 1 1 25 25 THR HG21 H 1 1.091 0.015 . 1 . 624 . A 25 THR HG21 . 18806 1
253 . 1 1 25 25 THR HG22 H 1 1.091 0.015 . 1 . 624 . A 25 THR HG22 . 18806 1
254 . 1 1 25 25 THR HG23 H 1 1.091 0.015 . 1 . 624 . A 25 THR HG23 . 18806 1
255 . 1 1 25 25 THR C C 13 175.170 . . 1 . 436 . A 25 THR C . 18806 1
256 . 1 1 25 25 THR CA C 13 63.499 0.059 . 1 . 286 . A 25 THR CA . 18806 1
257 . 1 1 25 25 THR CB C 13 69.177 0.074 . 1 . 287 . A 25 THR CB . 18806 1
258 . 1 1 25 25 THR CG2 C 13 21.666 0.065 . 1 . 568 . A 25 THR CG2 . 18806 1
259 . 1 1 25 25 THR N N 15 108.890 0.04 . 1 . 289 . A 25 THR N . 18806 1
260 . 1 1 26 26 HIS H H 1 7.072 0.013 . 1 . 282 . A 26 HIS H . 18806 1
261 . 1 1 26 26 HIS HA H 1 4.467 . . 1 . 1164 . A 26 HIS HA . 18806 1
262 . 1 1 26 26 HIS HB2 H 1 2.480 0.006 . 2 . 1190 . A 26 HIS HB2 . 18806 1
263 . 1 1 26 26 HIS HB3 H 1 2.656 0.012 . 2 . 1189 . A 26 HIS HB3 . 18806 1
264 . 1 1 26 26 HIS HD2 H 1 6.443 0.006 . 1 . 1213 . A 26 HIS HD2 . 18806 1
265 . 1 1 26 26 HIS HE1 H 1 7.922 0.006 . 1 . 1193 . A 26 HIS HE1 . 18806 1
266 . 1 1 26 26 HIS CA C 13 55.261 . . 1 . 285 . A 26 HIS CA . 18806 1
267 . 1 1 26 26 HIS CB C 13 28.642 0.039 . 1 . 284 . A 26 HIS CB . 18806 1
268 . 1 1 26 26 HIS CD2 C 13 130.448 0.078 . 1 . 1188 . A 26 HIS CD2 . 18806 1
269 . 1 1 26 26 HIS CE1 C 13 142.848 0.001 . 1 . 1194 . A 26 HIS CE1 . 18806 1
270 . 1 1 26 26 HIS N N 15 118.044 0.05 . 1 . 283 . A 26 HIS N . 18806 1
271 . 1 1 33 33 LYS HB2 H 1 1.624 . . 1 . 1141 . . 33 LYS HB2 . 18806 1
272 . 1 1 33 33 LYS HB3 H 1 1.624 . . 1 . 1140 . . 33 LYS HB3 . 18806 1
273 . 1 1 33 33 LYS HG2 H 1 1.118 . . 1 . 1143 . . 33 LYS HG2 . 18806 1
274 . 1 1 33 33 LYS HG3 H 1 1.118 . . 1 . 1142 . . 33 LYS HG3 . 18806 1
275 . 1 1 33 33 LYS HD2 H 1 1.379 . . 1 . 1139 . . 33 LYS HD2 . 18806 1
276 . 1 1 33 33 LYS HD3 H 1 1.379 . . 1 . 1138 . . 33 LYS HD3 . 18806 1
277 . 1 1 33 33 LYS HE2 H 1 2.805 . . 1 . 1137 . . 33 LYS HE2 . 18806 1
278 . 1 1 33 33 LYS HE3 H 1 2.805 . . 1 . 1136 . . 33 LYS HE3 . 18806 1
279 . 1 1 33 33 LYS C C 13 175.338 . . 1 . 435 . . 33 LYS C . 18806 1
280 . 1 1 33 33 LYS CA C 13 55.275 . . 1 . 348 . . 33 LYS CA . 18806 1
281 . 1 1 33 33 LYS CB C 13 34.112 . . 1 . 349 . . 33 LYS CB . 18806 1
282 . 1 1 33 33 LYS CG C 13 24.468 . . 1 . 565 . . 33 LYS CG . 18806 1
283 . 1 1 33 33 LYS CD C 13 28.650 . . 1 . 566 . . 33 LYS CD . 18806 1
284 . 1 1 33 33 LYS CE C 13 41.702 . . 1 . 567 . . 33 LYS CE . 18806 1
285 . 1 1 34 34 CYS H H 1 8.821 0.011 . 1 . 345 . . 34 CYS H . 18806 1
286 . 1 1 34 34 CYS HB2 H 1 2.705 . . 2 . 1234 . . 34 CYS HB2 . 18806 1
287 . 1 1 34 34 CYS HB3 H 1 3.313 . . 2 . 1233 . . 34 CYS HB3 . 18806 1
288 . 1 1 34 34 CYS CA C 13 57.333 . . 1 . 347 . . 34 CYS CA . 18806 1
289 . 1 1 34 34 CYS CB C 13 30.249 . . 1 . 350 . . 34 CYS CB . 18806 1
290 . 1 1 34 34 CYS N N 15 128.949 0.043 . 1 . 346 . . 34 CYS N . 18806 1
291 . 1 1 35 35 PRO HA H 1 4.338 . . 1 . 1131 . . 35 PRO HA . 18806 1
292 . 1 1 35 35 PRO HB2 H 1 2.415 . . 1 . 1133 . . 35 PRO HB2 . 18806 1
293 . 1 1 35 35 PRO HB3 H 1 2.415 . . 1 . 1132 . . 35 PRO HB3 . 18806 1
294 . 1 1 35 35 PRO HG2 H 1 2.017 0.009 . 1 . 1135 . . 35 PRO HG2 . 18806 1
295 . 1 1 35 35 PRO HG3 H 1 2.017 0.009 . 1 . 1134 . . 35 PRO HG3 . 18806 1
296 . 1 1 35 35 PRO C C 13 176.839 . . 1 . 492 . . 35 PRO C . 18806 1
297 . 1 1 35 35 PRO CA C 13 63.542 0.035 . 1 . 491 . . 35 PRO CA . 18806 1
298 . 1 1 35 35 PRO CB C 13 31.808 0.02 . 1 . 490 . . 35 PRO CB . 18806 1
299 . 1 1 35 35 PRO CG C 13 26.094 . . 1 . 563 . . 35 PRO CG . 18806 1
300 . 1 1 35 35 PRO CD C 13 50.726 . . 1 . 564 . . 35 PRO CD . 18806 1
301 . 1 1 36 36 HIS H H 1 9.104 0.007 . 1 . 486 . . 36 HIS H . 18806 1
302 . 1 1 36 36 HIS CA C 13 55.905 . . 1 . 488 . . 36 HIS CA . 18806 1
303 . 1 1 36 36 HIS CB C 13 29.729 . . 1 . 489 . . 36 HIS CB . 18806 1
304 . 1 1 36 36 HIS N N 15 118.804 0.039 . 1 . 487 . . 36 HIS N . 18806 1
305 . 1 1 37 37 CYS C C 13 173.009 . . 1 . 891 . . 37 CYS C . 18806 1
306 . 1 1 38 38 ASP H H 1 7.983 0.005 . 1 . 890 . . 38 ASP H . 18806 1
307 . 1 1 38 38 ASP C C 13 175.924 . . 1 . 469 . . 38 ASP C . 18806 1
308 . 1 1 38 38 ASP CA C 13 55.540 0.025 . 1 . 471 . . 38 ASP CA . 18806 1
309 . 1 1 38 38 ASP CB C 13 40.725 0.06 . 1 . 470 . . 38 ASP CB . 18806 1
310 . 1 1 38 38 ASP N N 15 115.754 0.018 . 1 . 889 . . 38 ASP N . 18806 1
311 . 1 1 39 39 LYS H H 1 8.148 0.01 . 1 . 467 . . 39 LYS H . 18806 1
312 . 1 1 39 39 LYS HA H 1 3.822 0.014 . 1 . 1123 . . 39 LYS HA . 18806 1
313 . 1 1 39 39 LYS HB2 H 1 1.280 0.006 . 1 . 1165 . . 39 LYS HB2 . 18806 1
314 . 1 1 39 39 LYS HB3 H 1 1.280 0.006 . 1 . 1166 . . 39 LYS HB3 . 18806 1
315 . 1 1 39 39 LYS HG2 H 1 1.029 0.006 . 1 . 1128 . . 39 LYS HG2 . 18806 1
316 . 1 1 39 39 LYS HG3 H 1 1.029 0.006 . 1 . 1129 . . 39 LYS HG3 . 18806 1
317 . 1 1 39 39 LYS HD2 H 1 1.310 0.014 . 1 . 1127 . . 39 LYS HD2 . 18806 1
318 . 1 1 39 39 LYS HD3 H 1 1.310 0.014 . 1 . 1126 . . 39 LYS HD3 . 18806 1
319 . 1 1 39 39 LYS HE2 H 1 2.812 0.011 . 2 . 1125 . . 39 LYS HE2 . 18806 1
320 . 1 1 39 39 LYS HE3 H 1 3.085 0.0 . 2 . 1124 . . 39 LYS HE3 . 18806 1
321 . 1 1 39 39 LYS C C 13 174.515 . . 1 . 466 . . 39 LYS C . 18806 1
322 . 1 1 39 39 LYS CA C 13 57.889 0.053 . 1 . 464 . . 39 LYS CA . 18806 1
323 . 1 1 39 39 LYS CB C 13 33.464 0.051 . 1 . 465 . . 39 LYS CB . 18806 1
324 . 1 1 39 39 LYS CG C 13 26.009 0.02 . 1 . 560 . . 39 LYS CG . 18806 1
325 . 1 1 39 39 LYS CD C 13 28.700 0.0 . 1 . 561 . . 39 LYS CD . 18806 1
326 . 1 1 39 39 LYS CE C 13 42.555 . . 1 . 562 . . 39 LYS CE . 18806 1
327 . 1 1 39 39 LYS N N 15 122.198 0.057 . 1 . 468 . . 39 LYS N . 18806 1
328 . 1 1 40 40 LYS H H 1 7.597 0.006 . 1 . 461 . . 40 LYS H . 18806 1
329 . 1 1 40 40 LYS C C 13 175.043 . . 1 . 460 . . 40 LYS C . 18806 1
330 . 1 1 40 40 LYS CA C 13 54.586 0.073 . 1 . 463 . . 40 LYS CA . 18806 1
331 . 1 1 40 40 LYS CB C 13 35.293 0.046 . 1 . 459 . . 40 LYS CB . 18806 1
332 . 1 1 40 40 LYS CG C 13 24.785 . . 1 . 558 . . 40 LYS CG . 18806 1
333 . 1 1 40 40 LYS CD C 13 29.274 . . 1 . 559 . . 40 LYS CD . 18806 1
334 . 1 1 40 40 LYS N N 15 118.804 0.053 . 1 . 462 . . 40 LYS N . 18806 1
335 . 1 1 41 41 PHE H H 1 8.395 0.011 . 1 . 455 . . 41 PHE H . 18806 1
336 . 1 1 41 41 PHE HD1 H 1 7.095 0.006 . 3 . 1207 . . 41 PHE HD1 . 18806 1
337 . 1 1 41 41 PHE HD2 H 1 7.095 0.006 . 3 . 1207 . . 41 PHE HD2 . 18806 1
338 . 1 1 41 41 PHE HE1 H 1 6.713 0.005 . 3 . 1206 . . 41 PHE HE1 . 18806 1
339 . 1 1 41 41 PHE HE2 H 1 6.713 0.005 . 3 . 1206 . . 41 PHE HE2 . 18806 1
340 . 1 1 41 41 PHE HZ H 1 6.140 0.006 . 1 . 1205 . . 41 PHE HZ . 18806 1
341 . 1 1 41 41 PHE CA C 13 57.208 . . 1 . 457 . . 41 PHE CA . 18806 1
342 . 1 1 41 41 PHE CB C 13 43.475 . . 1 . 458 . . 41 PHE CB . 18806 1
343 . 1 1 41 41 PHE CD1 C 13 135.112 . . 3 . 1210 . . 41 PHE CD1 . 18806 1
344 . 1 1 41 41 PHE CD2 C 13 135.112 . . 3 . 1210 . . 41 PHE CD2 . 18806 1
345 . 1 1 41 41 PHE CE1 C 13 133.781 0.005 . 3 . 1208 . . 41 PHE CE1 . 18806 1
346 . 1 1 41 41 PHE CE2 C 13 133.781 0.005 . 3 . 1208 . . 41 PHE CE2 . 18806 1
347 . 1 1 41 41 PHE CZ C 13 131.989 0.056 . 1 . 1204 . . 41 PHE CZ . 18806 1
348 . 1 1 41 41 PHE N N 15 117.050 0.044 . 1 . 456 . . 41 PHE N . 18806 1
349 . 1 1 42 42 ASN HA H 1 4.190 0.002 . 1 . 1122 . . 42 ASN HA . 18806 1
350 . 1 1 42 42 ASN HB2 H 1 2.120 0.01 . 1 . 1121 . . 42 ASN HB2 . 18806 1
351 . 1 1 42 42 ASN HB3 H 1 2.120 0.01 . 1 . 1120 . . 42 ASN HB3 . 18806 1
352 . 1 1 42 42 ASN C C 13 174.947 . . 1 . 499 . . 42 ASN C . 18806 1
353 . 1 1 42 42 ASN CA C 13 55.807 0.01 . 1 . 496 . . 42 ASN CA . 18806 1
354 . 1 1 42 42 ASN CB C 13 42.016 . . 1 . 497 . . 42 ASN CB . 18806 1
355 . 1 1 43 43 GLN H H 1 7.740 0.013 . 1 . 494 . . 43 GLN H . 18806 1
356 . 1 1 43 43 GLN HG2 H 1 2.304 . . 1 . 1119 . . 43 GLN HG2 . 18806 1
357 . 1 1 43 43 GLN HG3 H 1 2.304 . . 1 . 1118 . . 43 GLN HG3 . 18806 1
358 . 1 1 43 43 GLN CA C 13 58.492 . . 1 . 495 . . 43 GLN CA . 18806 1
359 . 1 1 43 43 GLN CB C 13 30.330 . . 1 . 498 . . 43 GLN CB . 18806 1
360 . 1 1 43 43 GLN N N 15 118.321 0.06 . 1 . 493 . . 43 GLN N . 18806 1
361 . 1 1 44 44 VAL H H 1 8.859 . . 1 . 1116 . . 44 VAL H . 18806 1
362 . 1 1 44 44 VAL HG11 H 1 0.600 0.012 . 1 . 1115 . . 44 VAL HG11 . 18806 1
363 . 1 1 44 44 VAL HG12 H 1 0.600 0.012 . 1 . 1115 . . 44 VAL HG12 . 18806 1
364 . 1 1 44 44 VAL HG13 H 1 0.600 0.012 . 1 . 1115 . . 44 VAL HG13 . 18806 1
365 . 1 1 44 44 VAL HG21 H 1 0.600 0.012 . 1 . 1114 . . 44 VAL HG21 . 18806 1
366 . 1 1 44 44 VAL HG22 H 1 0.600 0.012 . 1 . 1114 . . 44 VAL HG22 . 18806 1
367 . 1 1 44 44 VAL HG23 H 1 0.600 0.012 . 1 . 1114 . . 44 VAL HG23 . 18806 1
368 . 1 1 44 44 VAL C C 13 177.340 . . 1 . 434 . . 44 VAL C . 18806 1
369 . 1 1 44 44 VAL CA C 13 65.759 . . 1 . 278 . . 44 VAL CA . 18806 1
370 . 1 1 44 44 VAL CB C 13 31.018 . . 1 . 277 . . 44 VAL CB . 18806 1
371 . 1 1 44 44 VAL N N 15 125.715 . . 1 . 1117 . . 44 VAL N . 18806 1
372 . 1 1 45 45 GLY H H 1 8.870 0.01 . 1 . 271 . . 45 GLY H . 18806 1
373 . 1 1 45 45 GLY HA2 H 1 3.563 0.006 . 2 . 806 . . 45 GLY HA2 . 18806 1
374 . 1 1 45 45 GLY HA3 H 1 3.765 0.014 . 2 . 805 . . 45 GLY HA3 . 18806 1
375 . 1 1 45 45 GLY C C 13 176.706 . . 1 . 406 . . 45 GLY C . 18806 1
376 . 1 1 45 45 GLY CA C 13 46.901 0.019 . 1 . 47 . . 45 GLY CA . 18806 1
377 . 1 1 45 45 GLY N N 15 108.836 0.06 . 1 . 272 . . 45 GLY N . 18806 1
378 . 1 1 46 46 ASN H H 1 6.995 0.006 . 1 . 110 . . 46 ASN H . 18806 1
379 . 1 1 46 46 ASN HA H 1 4.441 0.015 . 1 . 1113 . . 46 ASN HA . 18806 1
380 . 1 1 46 46 ASN HB2 H 1 2.816 0.013 . 1 . 1112 . . 46 ASN HB2 . 18806 1
381 . 1 1 46 46 ASN HB3 H 1 2.816 0.013 . 1 . 868 . . 46 ASN HB3 . 18806 1
382 . 1 1 46 46 ASN C C 13 177.372 . . 1 . 405 . . 46 ASN C . 18806 1
383 . 1 1 46 46 ASN CA C 13 54.836 0.064 . 1 . 112 . . 46 ASN CA . 18806 1
384 . 1 1 46 46 ASN CB C 13 37.777 0.041 . 1 . 113 . . 46 ASN CB . 18806 1
385 . 1 1 46 46 ASN N N 15 118.342 0.044 . 1 . 111 . . 46 ASN N . 18806 1
386 . 1 1 47 47 LEU H H 1 6.876 0.012 . 1 . 114 . . 47 LEU H . 18806 1
387 . 1 1 47 47 LEU HA H 1 2.937 0.011 . 1 . 1106 . . 47 LEU HA . 18806 1
388 . 1 1 47 47 LEU HB2 H 1 1.866 0.015 . 2 . 1111 . . 47 LEU HB2 . 18806 1
389 . 1 1 47 47 LEU HB3 H 1 1.071 0.013 . 2 . 1109 . . 47 LEU HB3 . 18806 1
390 . 1 1 47 47 LEU HG H 1 1.315 0.014 . 1 . 1110 . . 47 LEU HG . 18806 1
391 . 1 1 47 47 LEU HD11 H 1 0.822 0.013 . 1 . 1107 . . 47 LEU HD11 . 18806 1
392 . 1 1 47 47 LEU HD12 H 1 0.822 0.013 . 1 . 1107 . . 47 LEU HD12 . 18806 1
393 . 1 1 47 47 LEU HD13 H 1 0.822 0.013 . 1 . 1107 . . 47 LEU HD13 . 18806 1
394 . 1 1 47 47 LEU HD21 H 1 0.822 0.013 . 1 . 1108 . . 47 LEU HD21 . 18806 1
395 . 1 1 47 47 LEU HD22 H 1 0.822 0.013 . 1 . 1108 . . 47 LEU HD22 . 18806 1
396 . 1 1 47 47 LEU HD23 H 1 0.822 0.013 . 1 . 1108 . . 47 LEU HD23 . 18806 1
397 . 1 1 47 47 LEU C C 13 177.264 . . 1 . 404 . . 47 LEU C . 18806 1
398 . 1 1 47 47 LEU CA C 13 57.847 0.039 . 1 . 116 . . 47 LEU CA . 18806 1
399 . 1 1 47 47 LEU CB C 13 39.999 0.032 . 1 . 117 . . 47 LEU CB . 18806 1
400 . 1 1 47 47 LEU CG C 13 26.208 . . 1 . 532 . . 47 LEU CG . 18806 1
401 . 1 1 47 47 LEU CD1 C 13 23.478 . . 1 . 793 . . 47 LEU CD1 . 18806 1
402 . 1 1 47 47 LEU CD2 C 13 23.478 . . 1 . 533 . . 47 LEU CD2 . 18806 1
403 . 1 1 47 47 LEU N N 15 123.407 0.057 . 1 . 115 . . 47 LEU N . 18806 1
404 . 1 1 48 48 LYS H H 1 8.180 0.009 . 1 . 118 . . 48 LYS H . 18806 1
405 . 1 1 48 48 LYS HA H 1 3.665 0.011 . 1 . 1097 . . 48 LYS HA . 18806 1
406 . 1 1 48 48 LYS HB2 H 1 1.680 0.009 . 1 . 1101 . . 48 LYS HB2 . 18806 1
407 . 1 1 48 48 LYS HB3 H 1 1.680 0.009 . 1 . 1100 . . 48 LYS HB3 . 18806 1
408 . 1 1 48 48 LYS HG2 H 1 1.226 0.003 . 1 . 1102 . . 48 LYS HG2 . 18806 1
409 . 1 1 48 48 LYS HG3 H 1 1.226 0.003 . 1 . 1103 . . 48 LYS HG3 . 18806 1
410 . 1 1 48 48 LYS HD2 H 1 1.458 0.01 . 1 . 1105 . . 48 LYS HD2 . 18806 1
411 . 1 1 48 48 LYS HD3 H 1 1.458 0.01 . 1 . 1104 . . 48 LYS HD3 . 18806 1
412 . 1 1 48 48 LYS HE2 H 1 2.733 0.004 . 1 . 1098 . . 48 LYS HE2 . 18806 1
413 . 1 1 48 48 LYS HE3 H 1 2.733 0.004 . 1 . 1099 . . 48 LYS HE3 . 18806 1
414 . 1 1 48 48 LYS C C 13 178.767 . . 1 . 430 . . 48 LYS C . 18806 1
415 . 1 1 48 48 LYS CA C 13 59.956 0.018 . 1 . 791 . . 48 LYS CA . 18806 1
416 . 1 1 48 48 LYS CB C 13 31.843 0.059 . 1 . 792 . . 48 LYS CB . 18806 1
417 . 1 1 48 48 LYS CG C 13 25.703 0.008 . 1 . 553 . . 48 LYS CG . 18806 1
418 . 1 1 48 48 LYS CD C 13 29.097 0.009 . 1 . 554 . . 48 LYS CD . 18806 1
419 . 1 1 48 48 LYS CE C 13 42.424 0.042 . 1 . 555 . . 48 LYS CE . 18806 1
420 . 1 1 48 48 LYS N N 15 117.891 0.044 . 1 . 119 . . 48 LYS N . 18806 1
421 . 1 1 49 49 ALA H H 1 7.193 0.011 . 1 . 55 . . 49 ALA H . 18806 1
422 . 1 1 49 49 ALA HA H 1 3.946 0.011 . 1 . 608 . . 49 ALA HA . 18806 1
423 . 1 1 49 49 ALA HB1 H 1 1.304 0.013 . 1 . 609 . . 49 ALA HB1 . 18806 1
424 . 1 1 49 49 ALA HB2 H 1 1.304 0.013 . 1 . 609 . . 49 ALA HB2 . 18806 1
425 . 1 1 49 49 ALA HB3 H 1 1.304 0.013 . 1 . 609 . . 49 ALA HB3 . 18806 1
426 . 1 1 49 49 ALA C C 13 179.732 . . 1 . 429 . . 49 ALA C . 18806 1
427 . 1 1 49 49 ALA CA C 13 54.564 0.067 . 1 . 58 . . 49 ALA CA . 18806 1
428 . 1 1 49 49 ALA CB C 13 18.174 0.051 . 1 . 57 . . 49 ALA CB . 18806 1
429 . 1 1 49 49 ALA N N 15 119.002 0.03 . 1 . 56 . . 49 ALA N . 18806 1
430 . 1 1 50 50 HIS H H 1 7.324 0.009 . 1 . 59 . . 50 HIS H . 18806 1
431 . 1 1 50 50 HIS HA H 1 4.083 0.015 . 1 . 906 . . 50 HIS HA . 18806 1
432 . 1 1 50 50 HIS HB2 H 1 3.055 0.014 . 2 . 905 . . 50 HIS HB2 . 18806 1
433 . 1 1 50 50 HIS HB3 H 1 2.825 0.012 . 2 . 904 . . 50 HIS HB3 . 18806 1
434 . 1 1 50 50 HIS HD2 H 1 7.070 0.007 . 1 . 1218 . . 50 HIS HD2 . 18806 1
435 . 1 1 50 50 HIS HE1 H 1 7.865 0.015 . 1 . 1197 . . 50 HIS HE1 . 18806 1
436 . 1 1 50 50 HIS C C 13 176.003 . . 1 . 428 . . 50 HIS C . 18806 1
437 . 1 1 50 50 HIS CA C 13 58.898 0.017 . 1 . 61 . . 50 HIS CA . 18806 1
438 . 1 1 50 50 HIS CB C 13 28.544 0.069 . 1 . 62 . . 50 HIS CB . 18806 1
439 . 1 1 50 50 HIS CD2 C 13 130.560 0.037 . 1 . 1219 . . 50 HIS CD2 . 18806 1
440 . 1 1 50 50 HIS N N 15 118.664 0.045 . 1 . 60 . . 50 HIS N . 18806 1
441 . 1 1 51 51 LEU H H 1 8.085 0.007 . 1 . 102 . . 51 LEU H . 18806 1
442 . 1 1 51 51 LEU HA H 1 3.676 0.015 . 1 . 662 . . 51 LEU HA . 18806 1
443 . 1 1 51 51 LEU HB2 H 1 1.803 0.014 . 2 . 664 . . 51 LEU HB2 . 18806 1
444 . 1 1 51 51 LEU HB3 H 1 1.486 0.011 . 2 . 663 . . 51 LEU HB3 . 18806 1
445 . 1 1 51 51 LEU HG H 1 1.137 0.004 . 1 . 669 . . 51 LEU HG . 18806 1
446 . 1 1 51 51 LEU HD11 H 1 0.886 0.012 . 1 . 666 . . 51 LEU HD11 . 18806 1
447 . 1 1 51 51 LEU HD12 H 1 0.886 0.012 . 1 . 666 . . 51 LEU HD12 . 18806 1
448 . 1 1 51 51 LEU HD13 H 1 0.886 0.012 . 1 . 666 . . 51 LEU HD13 . 18806 1
449 . 1 1 51 51 LEU HD21 H 1 0.886 0.012 . 1 . 667 . . 51 LEU HD21 . 18806 1
450 . 1 1 51 51 LEU HD22 H 1 0.886 0.012 . 1 . 667 . . 51 LEU HD22 . 18806 1
451 . 1 1 51 51 LEU HD23 H 1 0.886 0.012 . 1 . 667 . . 51 LEU HD23 . 18806 1
452 . 1 1 51 51 LEU C C 13 178.470 . . 1 . 427 . . 51 LEU C . 18806 1
453 . 1 1 51 51 LEU CA C 13 58.047 0.012 . 1 . 661 . . 51 LEU CA . 18806 1
454 . 1 1 51 51 LEU CB C 13 41.905 0.044 . 1 . 104 . . 51 LEU CB . 18806 1
455 . 1 1 51 51 LEU CG C 13 24.504 0.013 . 1 . 668 . . 51 LEU CG . 18806 1
456 . 1 1 51 51 LEU CD1 C 13 25.642 0.076 . 1 . 665 . . 51 LEU CD1 . 18806 1
457 . 1 1 51 51 LEU CD2 C 13 25.642 0.076 . 1 . 552 . . 51 LEU CD2 . 18806 1
458 . 1 1 51 51 LEU N N 15 116.715 0.006 . 1 . 103 . . 51 LEU N . 18806 1
459 . 1 1 52 52 LYS H H 1 6.883 0.012 . 1 . 98 . . 52 LYS H . 18806 1
460 . 1 1 52 52 LYS HA H 1 3.832 0.011 . 1 . 1088 . . 52 LYS HA . 18806 1
461 . 1 1 52 52 LYS HB2 H 1 1.689 0.009 . 1 . 1091 . . 52 LYS HB2 . 18806 1
462 . 1 1 52 52 LYS HB3 H 1 1.689 0.009 . 1 . 1092 . . 52 LYS HB3 . 18806 1
463 . 1 1 52 52 LYS HG2 H 1 1.328 0.014 . 1 . 1095 . . 52 LYS HG2 . 18806 1
464 . 1 1 52 52 LYS HG3 H 1 1.328 0.014 . 1 . 1096 . . 52 LYS HG3 . 18806 1
465 . 1 1 52 52 LYS HD2 H 1 1.553 0.013 . 1 . 1094 . . 52 LYS HD2 . 18806 1
466 . 1 1 52 52 LYS HD3 H 1 1.553 0.013 . 1 . 1093 . . 52 LYS HD3 . 18806 1
467 . 1 1 52 52 LYS HE2 H 1 2.849 0.002 . 1 . 1089 . . 52 LYS HE2 . 18806 1
468 . 1 1 52 52 LYS HE3 H 1 2.849 0.002 . 1 . 1090 . . 52 LYS HE3 . 18806 1
469 . 1 1 52 52 LYS C C 13 178.357 . . 1 . 426 . . 52 LYS C . 18806 1
470 . 1 1 52 52 LYS CA C 13 58.417 0.034 . 1 . 100 . . 52 LYS CA . 18806 1
471 . 1 1 52 52 LYS CB C 13 32.112 0.025 . 1 . 101 . . 52 LYS CB . 18806 1
472 . 1 1 52 52 LYS CG C 13 24.602 0.005 . 1 . 549 . . 52 LYS CG . 18806 1
473 . 1 1 52 52 LYS CD C 13 28.897 0.007 . 1 . 550 . . 52 LYS CD . 18806 1
474 . 1 1 52 52 LYS CE C 13 40.271 . . 1 . 551 . . 52 LYS CE . 18806 1
475 . 1 1 52 52 LYS N N 15 115.588 0.055 . 1 . 99 . . 52 LYS N . 18806 1
476 . 1 1 53 53 ILE H H 1 7.655 0.011 . 1 . 94 . . 53 ILE H . 18806 1
477 . 1 1 53 53 ILE HA H 1 3.831 0.009 . 1 . 1085 . . 53 ILE HA . 18806 1
478 . 1 1 53 53 ILE HB H 1 1.568 0.013 . 1 . 1086 . . 53 ILE HB . 18806 1
479 . 1 1 53 53 ILE HG12 H 1 0.791 0.011 . 1 . 1195 . . 53 ILE HG12 . 18806 1
480 . 1 1 53 53 ILE HG13 H 1 0.791 0.011 . 1 . 1196 . . 53 ILE HG13 . 18806 1
481 . 1 1 53 53 ILE HG21 H 1 0.484 0.014 . 1 . 1087 . . 53 ILE HG21 . 18806 1
482 . 1 1 53 53 ILE HG22 H 1 0.484 0.014 . 1 . 1087 . . 53 ILE HG22 . 18806 1
483 . 1 1 53 53 ILE HG23 H 1 0.484 0.014 . 1 . 1087 . . 53 ILE HG23 . 18806 1
484 . 1 1 53 53 ILE C C 13 177.054 . . 1 . 425 . . 53 ILE C . 18806 1
485 . 1 1 53 53 ILE CA C 13 62.683 0.06 . 1 . 96 . . 53 ILE CA . 18806 1
486 . 1 1 53 53 ILE CB C 13 37.501 0.044 . 1 . 97 . . 53 ILE CB . 18806 1
487 . 1 1 53 53 ILE CG1 C 13 25.093 0.017 . 1 . 548 . . 53 ILE CG1 . 18806 1
488 . 1 1 53 53 ILE CG2 C 13 16.399 . . 1 . 546 . . 53 ILE CG2 . 18806 1
489 . 1 1 53 53 ILE CD1 C 13 14.169 . . 1 . 547 . . 53 ILE CD1 . 18806 1
490 . 1 1 53 53 ILE N N 15 115.446 0.037 . 1 . 95 . . 53 ILE N . 18806 1
491 . 1 1 54 54 HIS H H 1 7.100 0.013 . 1 . 281 . . 54 HIS H . 18806 1
492 . 1 1 54 54 HIS HA H 1 4.462 0.004 . 1 . 1167 . . 54 HIS HA . 18806 1
493 . 1 1 54 54 HIS HB2 H 1 2.677 0.013 . 1 . 1083 . . 54 HIS HB2 . 18806 1
494 . 1 1 54 54 HIS HB3 H 1 2.677 0.013 . 1 . 1084 . . 54 HIS HB3 . 18806 1
495 . 1 1 54 54 HIS HD2 H 1 6.454 0.002 . 1 . 1221 . . 54 HIS HD2 . 18806 1
496 . 1 1 54 54 HIS C C 13 174.896 . . 1 . 424 . . 54 HIS C . 18806 1
497 . 1 1 54 54 HIS CA C 13 55.395 0.054 . 1 . 152 . . 54 HIS CA . 18806 1
498 . 1 1 54 54 HIS CB C 13 28.564 0.065 . 1 . 153 . . 54 HIS CB . 18806 1
499 . 1 1 54 54 HIS CD2 C 13 130.631 0.005 . 1 . 1222 . . 54 HIS CD2 . 18806 1
500 . 1 1 54 54 HIS N N 15 117.283 0.056 . 1 . 151 . . 54 HIS N . 18806 1
501 . 1 1 55 55 ILE H H 1 7.247 0.012 . 1 . 37 . . 55 ILE H . 18806 1
502 . 1 1 55 55 ILE HA H 1 3.884 0.015 . 1 . 599 . . 55 ILE HA . 18806 1
503 . 1 1 55 55 ILE HB H 1 1.719 0.01 . 1 . 598 . . 55 ILE HB . 18806 1
504 . 1 1 55 55 ILE HG12 H 1 1.341 0.013 . 2 . 597 . . 55 ILE HG12 . 18806 1
505 . 1 1 55 55 ILE HG13 H 1 1.021 0.011 . 2 . 596 . . 55 ILE HG13 . 18806 1
506 . 1 1 55 55 ILE HG21 H 1 0.759 0.013 . 1 . 595 . . 55 ILE HG21 . 18806 1
507 . 1 1 55 55 ILE HG22 H 1 0.759 0.013 . 1 . 595 . . 55 ILE HG22 . 18806 1
508 . 1 1 55 55 ILE HG23 H 1 0.759 0.013 . 1 . 595 . . 55 ILE HG23 . 18806 1
509 . 1 1 55 55 ILE HD11 H 1 0.708 0.012 . 1 . 593 . . 55 ILE HD11 . 18806 1
510 . 1 1 55 55 ILE HD12 H 1 0.708 0.012 . 1 . 593 . . 55 ILE HD12 . 18806 1
511 . 1 1 55 55 ILE HD13 H 1 0.708 0.012 . 1 . 593 . . 55 ILE HD13 . 18806 1
512 . 1 1 55 55 ILE C C 13 175.788 . . 1 . 423 . . 55 ILE C . 18806 1
513 . 1 1 55 55 ILE CA C 13 61.915 0.073 . 1 . 39 . . 55 ILE CA . 18806 1
514 . 1 1 55 55 ILE CB C 13 38.420 0.068 . 1 . 40 . . 55 ILE CB . 18806 1
515 . 1 1 55 55 ILE CG1 C 13 27.339 0.034 . 1 . 588 . . 55 ILE CG1 . 18806 1
516 . 1 1 55 55 ILE CG2 C 13 17.415 0.074 . 1 . 594 . . 55 ILE CG2 . 18806 1
517 . 1 1 55 55 ILE CD1 C 13 12.996 0.057 . 1 . 589 . . 55 ILE CD1 . 18806 1
518 . 1 1 55 55 ILE N N 15 119.709 0.047 . 1 . 38 . . 55 ILE N . 18806 1
519 . 1 1 56 56 ALA H H 1 8.009 0.011 . 1 . 33 . . 56 ALA H . 18806 1
520 . 1 1 56 56 ALA HA H 1 4.197 0.014 . 1 . 612 . . 56 ALA HA . 18806 1
521 . 1 1 56 56 ALA HB1 H 1 1.223 0.013 . 1 . 613 . . 56 ALA HB1 . 18806 1
522 . 1 1 56 56 ALA HB2 H 1 1.223 0.013 . 1 . 613 . . 56 ALA HB2 . 18806 1
523 . 1 1 56 56 ALA HB3 H 1 1.223 0.013 . 1 . 613 . . 56 ALA HB3 . 18806 1
524 . 1 1 56 56 ALA C C 13 177.042 . . 1 . 422 . . 56 ALA C . 18806 1
525 . 1 1 56 56 ALA CA C 13 52.204 0.056 . 1 . 36 . . 56 ALA CA . 18806 1
526 . 1 1 56 56 ALA CB C 13 19.190 0.068 . 1 . 35 . . 56 ALA CB . 18806 1
527 . 1 1 56 56 ALA N N 15 126.276 0.056 . 1 . 34 . . 56 ALA N . 18806 1
528 . 1 1 57 57 ASP H H 1 7.924 0.009 . 1 . 29 . . 57 ASP H . 18806 1
529 . 1 1 57 57 ASP HA H 1 4.447 0.008 . 1 . 979 . . 57 ASP HA . 18806 1
530 . 1 1 57 57 ASP HB2 H 1 2.516 0.013 . 1 . 963 . . 57 ASP HB2 . 18806 1
531 . 1 1 57 57 ASP HB3 H 1 2.516 0.013 . 1 . 962 . . 57 ASP HB3 . 18806 1
532 . 1 1 57 57 ASP C C 13 176.200 . . 1 . 421 . . 57 ASP C . 18806 1
533 . 1 1 57 57 ASP CA C 13 54.257 0.059 . 1 . 31 . . 57 ASP CA . 18806 1
534 . 1 1 57 57 ASP CB C 13 41.256 0.041 . 1 . 32 . . 57 ASP CB . 18806 1
535 . 1 1 57 57 ASP N N 15 119.736 0.044 . 1 . 30 . . 57 ASP N . 18806 1
536 . 1 1 58 58 GLY H H 1 7.903 0.009 . 1 . 26 . . 58 GLY H . 18806 1
537 . 1 1 58 58 GLY HA2 H 1 3.916 0.01 . 2 . 631 . . 58 GLY HA2 . 18806 1
538 . 1 1 58 58 GLY HA3 H 1 3.994 0.008 . 2 . 630 . . 58 GLY HA3 . 18806 1
539 . 1 1 58 58 GLY CA C 13 44.961 0.075 . 1 . 28 . . 58 GLY CA . 18806 1
540 . 1 1 58 58 GLY N N 15 108.482 0.048 . 1 . 27 . . 58 GLY N . 18806 1
541 . 1 1 59 59 PRO HA H 1 4.352 0.0 . 1 . 984 . . 59 PRO HA . 18806 1
542 . 1 1 59 59 PRO HB2 H 1 2.093 0.008 . 1 . 985 . . 59 PRO HB2 . 18806 1
543 . 1 1 59 59 PRO HB3 H 1 2.093 0.008 . 1 . 986 . . 59 PRO HB3 . 18806 1
544 . 1 1 59 59 PRO HG2 H 1 1.822 0.014 . 1 . 988 . . 59 PRO HG2 . 18806 1
545 . 1 1 59 59 PRO HG3 H 1 1.822 0.014 . 1 . 987 . . 59 PRO HG3 . 18806 1
546 . 1 1 59 59 PRO HD2 H 1 3.483 0.009 . 1 . 981 . . 59 PRO HD2 . 18806 1
547 . 1 1 59 59 PRO HD3 H 1 3.483 0.009 . 1 . 980 . . 59 PRO HD3 . 18806 1
548 . 1 1 59 59 PRO C C 13 176.875 . . 1 . 420 . . 59 PRO C . 18806 1
549 . 1 1 59 59 PRO CA C 13 63.480 0.064 . 1 . 318 . . 59 PRO CA . 18806 1
550 . 1 1 59 59 PRO CB C 13 31.639 . . 1 . 319 . . 59 PRO CB . 18806 1
551 . 1 1 59 59 PRO CG C 13 26.989 0.039 . 1 . 586 . . 59 PRO CG . 18806 1
552 . 1 1 59 59 PRO CD C 13 49.803 0.018 . 1 . 587 . . 59 PRO CD . 18806 1
553 . 1 1 60 60 LEU H H 1 8.314 0.009 . 1 . 316 . . 60 LEU H . 18806 1
554 . 1 1 60 60 LEU HA H 1 4.313 0.011 . 1 . 728 . . 60 LEU HA . 18806 1
555 . 1 1 60 60 LEU HB2 H 1 1.426 0.01 . 2 . 726 . . 60 LEU HB2 . 18806 1
556 . 1 1 60 60 LEU HB3 H 1 1.618 0.015 . 2 . 724 . . 60 LEU HB3 . 18806 1
557 . 1 1 60 60 LEU HG H 1 1.424 0.013 . 1 . 730 . . 60 LEU HG . 18806 1
558 . 1 1 60 60 LEU HD11 H 1 0.585 0.015 . 1 . 733 . . 60 LEU HD11 . 18806 1
559 . 1 1 60 60 LEU HD12 H 1 0.585 0.015 . 1 . 733 . . 60 LEU HD12 . 18806 1
560 . 1 1 60 60 LEU HD13 H 1 0.585 0.015 . 1 . 733 . . 60 LEU HD13 . 18806 1
561 . 1 1 60 60 LEU HD21 H 1 0.610 0.012 . 1 . 731 . . 60 LEU HD21 . 18806 1
562 . 1 1 60 60 LEU HD22 H 1 0.610 0.012 . 1 . 731 . . 60 LEU HD22 . 18806 1
563 . 1 1 60 60 LEU HD23 H 1 0.610 0.012 . 1 . 731 . . 60 LEU HD23 . 18806 1
564 . 1 1 60 60 LEU C C 13 174.836 . . 1 . 419 . . 60 LEU C . 18806 1
565 . 1 1 60 60 LEU CA C 13 54.188 0.06 . 1 . 727 . . 60 LEU CA . 18806 1
566 . 1 1 60 60 LEU CB C 13 41.692 0.037 . 1 . 725 . . 60 LEU CB . 18806 1
567 . 1 1 60 60 LEU CG C 13 26.901 0.003 . 1 . 729 . . 60 LEU CG . 18806 1
568 . 1 1 60 60 LEU CD1 C 13 23.005 0.045 . 2 . 732 . . 60 LEU CD1 . 18806 1
569 . 1 1 60 60 LEU CD2 C 13 25.524 0.06 . 2 . 545 . . 60 LEU CD2 . 18806 1
570 . 1 1 60 60 LEU N N 15 120.479 0.034 . 1 . 317 . . 60 LEU N . 18806 1
571 . 1 1 61 61 LYS H H 1 7.587 0.01 . 1 . 314 . . 61 LYS H . 18806 1
572 . 1 1 61 61 LYS HA H 1 4.907 0.014 . 1 . 964 . . 61 LYS HA . 18806 1
573 . 1 1 61 61 LYS HB2 H 1 1.431 0.013 . 1 . 995 . . 61 LYS HB2 . 18806 1
574 . 1 1 61 61 LYS HB3 H 1 1.431 0.013 . 1 . 994 . . 61 LYS HB3 . 18806 1
575 . 1 1 61 61 LYS HG2 H 1 0.973 0.012 . 1 . 992 . . 61 LYS HG2 . 18806 1
576 . 1 1 61 61 LYS HG3 H 1 0.973 0.012 . 1 . 993 . . 61 LYS HG3 . 18806 1
577 . 1 1 61 61 LYS HD2 H 1 1.427 0.011 . 1 . 997 . . 61 LYS HD2 . 18806 1
578 . 1 1 61 61 LYS HD3 H 1 1.427 0.011 . 1 . 996 . . 61 LYS HD3 . 18806 1
579 . 1 1 61 61 LYS HE2 H 1 2.782 0.012 . 1 . 991 . . 61 LYS HE2 . 18806 1
580 . 1 1 61 61 LYS HE3 H 1 2.782 0.012 . 1 . 990 . . 61 LYS HE3 . 18806 1
581 . 1 1 61 61 LYS C C 13 175.533 . . 1 . 418 . . 61 LYS C . 18806 1
582 . 1 1 61 61 LYS CA C 13 54.322 0.054 . 1 . 310 . . 61 LYS CA . 18806 1
583 . 1 1 61 61 LYS CB C 13 35.449 0.035 . 1 . 311 . . 61 LYS CB . 18806 1
584 . 1 1 61 61 LYS CG C 13 25.191 . . 1 . 542 . . 61 LYS CG . 18806 1
585 . 1 1 61 61 LYS CD C 13 29.395 0.01 . 1 . 543 . . 61 LYS CD . 18806 1
586 . 1 1 61 61 LYS CE C 13 41.411 0.018 . 1 . 544 . . 61 LYS CE . 18806 1
587 . 1 1 61 61 LYS N N 15 120.279 0.057 . 1 . 315 . . 61 LYS N . 18806 1
588 . 1 1 62 62 CYS H H 1 9.008 0.012 . 1 . 308 . . 62 CYS H . 18806 1
589 . 1 1 62 62 CYS HA H 1 4.349 0.013 . 1 . 691 . . 62 CYS HA . 18806 1
590 . 1 1 62 62 CYS HB2 H 1 2.727 0.01 . 2 . 690 . . 62 CYS HB2 . 18806 1
591 . 1 1 62 62 CYS HB3 H 1 3.195 0.013 . 2 . 689 . . 62 CYS HB3 . 18806 1
592 . 1 1 62 62 CYS C C 13 177.533 . . 1 . 417 . . 62 CYS C . 18806 1
593 . 1 1 62 62 CYS CA C 13 59.489 0.046 . 1 . 306 . . 62 CYS CA . 18806 1
594 . 1 1 62 62 CYS CB C 13 29.664 0.074 . 1 . 307 . . 62 CYS CB . 18806 1
595 . 1 1 62 62 CYS N N 15 127.047 0.06 . 1 . 309 . . 62 CYS N . 18806 1
596 . 1 1 63 63 ARG H H 1 9.213 0.008 . 1 . 304 . . 63 ARG H . 18806 1
597 . 1 1 63 63 ARG HA H 1 3.996 0.015 . 1 . 754 . . 63 ARG HA . 18806 1
598 . 1 1 63 63 ARG HB2 H 1 1.789 0.013 . 1 . 755 . . 63 ARG HB2 . 18806 1
599 . 1 1 63 63 ARG HB3 H 1 1.789 0.013 . 1 . 756 . . 63 ARG HB3 . 18806 1
600 . 1 1 63 63 ARG HG2 H 1 1.586 0.013 . 1 . 758 . . 63 ARG HG2 . 18806 1
601 . 1 1 63 63 ARG HG3 H 1 1.586 0.013 . 1 . 757 . . 63 ARG HG3 . 18806 1
602 . 1 1 63 63 ARG HD2 H 1 3.085 0.013 . 1 . 752 . . 63 ARG HD2 . 18806 1
603 . 1 1 63 63 ARG HD3 H 1 3.085 0.013 . 1 . 753 . . 63 ARG HD3 . 18806 1
604 . 1 1 63 63 ARG C C 13 176.307 . . 1 . 416 . . 63 ARG C . 18806 1
605 . 1 1 63 63 ARG CA C 13 58.135 0.061 . 1 . 302 . . 63 ARG CA . 18806 1
606 . 1 1 63 63 ARG CB C 13 29.869 0.078 . 1 . 303 . . 63 ARG CB . 18806 1
607 . 1 1 63 63 ARG CG C 13 27.124 0.035 . 1 . 540 . . 63 ARG CG . 18806 1
608 . 1 1 63 63 ARG CD C 13 43.293 0.028 . 1 . 541 . . 63 ARG CD . 18806 1
609 . 1 1 63 63 ARG N N 15 131.833 0.032 . 1 . 305 . . 63 ARG N . 18806 1
610 . 1 1 64 64 GLU H H 1 8.674 0.007 . 1 . 301 . . 64 GLU H . 18806 1
611 . 1 1 64 64 GLU HA H 1 4.075 0.012 . 1 . 967 . . 64 GLU HA . 18806 1
612 . 1 1 64 64 GLU HB2 H 1 1.186 0.009 . 2 . 972 . . 64 GLU HB2 . 18806 1
613 . 1 1 64 64 GLU HB3 H 1 1.008 0.004 . 2 . 971 . . 64 GLU HB3 . 18806 1
614 . 1 1 64 64 GLU HG2 H 1 1.675 0.014 . 1 . 973 . . 64 GLU HG2 . 18806 1
615 . 1 1 64 64 GLU HG3 H 1 1.675 0.014 . 1 . 974 . . 64 GLU HG3 . 18806 1
616 . 1 1 64 64 GLU C C 13 177.231 . . 1 . 415 . . 64 GLU C . 18806 1
617 . 1 1 64 64 GLU CA C 13 57.835 0.022 . 1 . 298 . . 64 GLU CA . 18806 1
618 . 1 1 64 64 GLU CB C 13 29.173 0.048 . 1 . 299 . . 64 GLU CB . 18806 1
619 . 1 1 64 64 GLU CG C 13 35.257 0.051 . 1 . 539 . . 64 GLU CG . 18806 1
620 . 1 1 64 64 GLU N N 15 120.210 0.058 . 1 . 300 . . 64 GLU N . 18806 1
621 . 1 1 65 65 CYS H H 1 8.115 0.008 . 1 . 245 . . 65 CYS H . 18806 1
622 . 1 1 65 65 CYS HA H 1 5.028 0.01 . 1 . 884 . . 65 CYS HA . 18806 1
623 . 1 1 65 65 CYS HB2 H 1 2.723 0.011 . 2 . 893 . . 65 CYS HB2 . 18806 1
624 . 1 1 65 65 CYS HB3 H 1 3.309 0.012 . 2 . 892 . . 65 CYS HB3 . 18806 1
625 . 1 1 65 65 CYS C C 13 176.295 . . 1 . 414 . . 65 CYS C . 18806 1
626 . 1 1 65 65 CYS CA C 13 58.223 0.037 . 1 . 247 . . 65 CYS CA . 18806 1
627 . 1 1 65 65 CYS CB C 13 32.339 0.061 . 1 . 248 . . 65 CYS CB . 18806 1
628 . 1 1 65 65 CYS N N 15 115.424 0.057 . 1 . 246 . . 65 CYS N . 18806 1
629 . 1 1 66 66 GLY H H 1 7.984 0.011 . 1 . 249 . . 66 GLY H . 18806 1
630 . 1 1 66 66 GLY HA2 H 1 3.630 0.013 . 2 . 782 . . 66 GLY HA2 . 18806 1
631 . 1 1 66 66 GLY HA3 H 1 4.080 0.014 . 2 . 783 . . 66 GLY HA3 . 18806 1
632 . 1 1 66 66 GLY C C 13 173.337 . . 1 . 413 . . 66 GLY C . 18806 1
633 . 1 1 66 66 GLY CA C 13 46.164 0.06 . 1 . 251 . . 66 GLY CA . 18806 1
634 . 1 1 66 66 GLY N N 15 113.249 0.039 . 1 . 250 . . 66 GLY N . 18806 1
635 . 1 1 67 67 LYS H H 1 7.700 0.009 . 1 . 252 . . 67 LYS H . 18806 1
636 . 1 1 67 67 LYS HA H 1 3.824 0.009 . 1 . 784 . . 67 LYS HA . 18806 1
637 . 1 1 67 67 LYS HB2 H 1 1.082 0.015 . 2 . 788 . . 67 LYS HB2 . 18806 1
638 . 1 1 67 67 LYS HB3 H 1 1.317 0.007 . 2 . 787 . . 67 LYS HB3 . 18806 1
639 . 1 1 67 67 LYS HG2 H 1 0.923 0.014 . 1 . 975 . . 67 LYS HG2 . 18806 1
640 . 1 1 67 67 LYS HG3 H 1 0.923 0.014 . 1 . 976 . . 67 LYS HG3 . 18806 1
641 . 1 1 67 67 LYS HD2 H 1 1.335 0.009 . 1 . 789 . . 67 LYS HD2 . 18806 1
642 . 1 1 67 67 LYS HD3 H 1 1.335 0.009 . 1 . 790 . . 67 LYS HD3 . 18806 1
643 . 1 1 67 67 LYS HE2 H 1 2.798 0.009 . 2 . 786 . . 67 LYS HE2 . 18806 1
644 . 1 1 67 67 LYS HE3 H 1 2.836 0.011 . 2 . 785 . . 67 LYS HE3 . 18806 1
645 . 1 1 67 67 LYS C C 13 174.006 . . 1 . 412 . . 67 LYS C . 18806 1
646 . 1 1 67 67 LYS CA C 13 57.937 0.071 . 1 . 254 . . 67 LYS CA . 18806 1
647 . 1 1 67 67 LYS CB C 13 33.563 0.059 . 1 . 255 . . 67 LYS CB . 18806 1
648 . 1 1 67 67 LYS CG C 13 26.138 . . 1 . 536 . . 67 LYS CG . 18806 1
649 . 1 1 67 67 LYS CD C 13 28.967 0.043 . 1 . 537 . . 67 LYS CD . 18806 1
650 . 1 1 67 67 LYS CE C 13 42.133 0.037 . 1 . 538 . . 67 LYS CE . 18806 1
651 . 1 1 67 67 LYS N N 15 122.126 0.044 . 1 . 253 . . 67 LYS N . 18806 1
652 . 1 1 68 68 GLN H H 1 7.911 0.005 . 1 . 256 . . 68 GLN H . 18806 1
653 . 1 1 68 68 GLN HA H 1 4.678 0.011 . 1 . 989 . . 68 GLN HA . 18806 1
654 . 1 1 68 68 GLN HB2 H 1 1.603 0.01 . 2 . 1022 . . 68 GLN HB2 . 18806 1
655 . 1 1 68 68 GLN HB3 H 1 1.738 0.004 . 2 . 1021 . . 68 GLN HB3 . 18806 1
656 . 1 1 68 68 GLN HG2 H 1 2.037 0.011 . 1 . 982 . . 68 GLN HG2 . 18806 1
657 . 1 1 68 68 GLN HG3 H 1 2.037 0.011 . 1 . 983 . . 68 GLN HG3 . 18806 1
658 . 1 1 68 68 GLN HE21 H 1 6.720 0.01 . 1 . 835 . . 68 GLN HE21 . 18806 1
659 . 1 1 68 68 GLN HE22 H 1 7.445 0.009 . 1 . 839 . . 68 GLN HE22 . 18806 1
660 . 1 1 68 68 GLN C C 13 174.813 . . 1 . 411 . . 68 GLN C . 18806 1
661 . 1 1 68 68 GLN CA C 13 54.550 0.069 . 1 . 258 . . 68 GLN CA . 18806 1
662 . 1 1 68 68 GLN CB C 13 31.199 0.003 . 1 . 747 . . 68 GLN CB . 18806 1
663 . 1 1 68 68 GLN CG C 13 34.108 0.045 . 1 . 535 . . 68 GLN CG . 18806 1
664 . 1 1 68 68 GLN N N 15 120.787 0.059 . 1 . 257 . . 68 GLN N . 18806 1
665 . 1 1 68 68 GLN NE2 N 15 111.914 0.054 . 1 . 836 . . 68 GLN NE2 . 18806 1
666 . 1 1 69 69 PHE H H 1 8.308 0.01 . 1 . 325 . . 69 PHE H . 18806 1
667 . 1 1 69 69 PHE HB2 H 1 3.121 0.009 . 2 . 999 . . 69 PHE HB2 . 18806 1
668 . 1 1 69 69 PHE HB3 H 1 2.540 0.015 . 2 . 998 . . 69 PHE HB3 . 18806 1
669 . 1 1 69 69 PHE HD1 H 1 7.040 0.011 . 3 . 965 . . 69 PHE HD1 . 18806 1
670 . 1 1 69 69 PHE HD2 H 1 7.040 0.011 . 3 . 965 . . 69 PHE HD2 . 18806 1
671 . 1 1 69 69 PHE HZ H 1 5.878 0.001 . 1 . 1232 . . 69 PHE HZ . 18806 1
672 . 1 1 69 69 PHE C C 13 175.241 . . 1 . 410 . . 69 PHE C . 18806 1
673 . 1 1 69 69 PHE CA C 13 57.347 0.051 . 1 . 323 . . 69 PHE CA . 18806 1
674 . 1 1 69 69 PHE CB C 13 43.408 0.061 . 1 . 324 . . 69 PHE CB . 18806 1
675 . 1 1 69 69 PHE CD1 C 13 135.014 0.033 . 3 . 1033 . . 69 PHE CD1 . 18806 1
676 . 1 1 69 69 PHE CD2 C 13 135.014 0.033 . 3 . 1033 . . 69 PHE CD2 . 18806 1
677 . 1 1 69 69 PHE CZ C 13 131.475 . . 1 . 1231 . . 69 PHE CZ . 18806 1
678 . 1 1 69 69 PHE N N 15 120.205 0.059 . 1 . 326 . . 69 PHE N . 18806 1
679 . 1 1 70 70 THR H H 1 9.023 0.005 . 1 . 321 . . 70 THR H . 18806 1
680 . 1 1 70 70 THR HA H 1 4.267 0.009 . 1 . 618 . . 70 THR HA . 18806 1
681 . 1 1 70 70 THR HB H 1 4.284 0.007 . 1 . 617 . . 70 THR HB . 18806 1
682 . 1 1 70 70 THR HG21 H 1 1.123 0.014 . 1 . 616 . . 70 THR HG21 . 18806 1
683 . 1 1 70 70 THR HG22 H 1 1.123 0.014 . 1 . 616 . . 70 THR HG22 . 18806 1
684 . 1 1 70 70 THR HG23 H 1 1.123 0.014 . 1 . 616 . . 70 THR HG23 . 18806 1
685 . 1 1 70 70 THR C C 13 175.435 . . 1 . 409 . . 70 THR C . 18806 1
686 . 1 1 70 70 THR CA C 13 62.819 0.028 . 1 . 275 . . 70 THR CA . 18806 1
687 . 1 1 70 70 THR CB C 13 69.591 0.076 . 1 . 276 . . 70 THR CB . 18806 1
688 . 1 1 70 70 THR CG2 C 13 22.256 0.075 . 1 . 534 . . 70 THR CG2 . 18806 1
689 . 1 1 70 70 THR N N 15 108.936 0.034 . 1 . 322 . . 70 THR N . 18806 1
690 . 1 1 71 71 THR H H 1 7.150 0.011 . 1 . 190 . . 71 THR H . 18806 1
691 . 1 1 71 71 THR HA H 1 4.732 0.002 . 1 . 764 . . 71 THR HA . 18806 1
692 . 1 1 71 71 THR HB H 1 4.444 0.014 . 1 . 765 . . 71 THR HB . 18806 1
693 . 1 1 71 71 THR HG21 H 1 1.107 0.011 . 1 . 766 . . 71 THR HG21 . 18806 1
694 . 1 1 71 71 THR HG22 H 1 1.107 0.011 . 1 . 766 . . 71 THR HG22 . 18806 1
695 . 1 1 71 71 THR HG23 H 1 1.107 0.011 . 1 . 766 . . 71 THR HG23 . 18806 1
696 . 1 1 71 71 THR C C 13 174.614 . . 1 . 408 . . 71 THR C . 18806 1
697 . 1 1 71 71 THR CA C 13 58.874 0.024 . 1 . 192 . . 71 THR CA . 18806 1
698 . 1 1 71 71 THR CB C 13 72.806 0.031 . 1 . 193 . . 71 THR CB . 18806 1
699 . 1 1 71 71 THR N N 15 108.345 0.042 . 1 . 191 . . 71 THR N . 18806 1
700 . 1 1 72 72 SER H H 1 9.243 0.007 . 1 . 186 . . 72 SER H . 18806 1
701 . 1 1 72 72 SER HA H 1 3.900 0.013 . 1 . 769 . . 72 SER HA . 18806 1
702 . 1 1 72 72 SER HB2 H 1 3.807 0.015 . 1 . 768 . . 72 SER HB2 . 18806 1
703 . 1 1 72 72 SER HB3 H 1 3.807 0.015 . 1 . 767 . . 72 SER HB3 . 18806 1
704 . 1 1 72 72 SER C C 13 177.313 . . 1 . 407 . . 72 SER C . 18806 1
705 . 1 1 72 72 SER CA C 13 61.112 0.052 . 1 . 188 . . 72 SER CA . 18806 1
706 . 1 1 72 72 SER CB C 13 62.316 0.04 . 1 . 189 . . 72 SER CB . 18806 1
707 . 1 1 72 72 SER N N 15 119.177 0.031 . 1 . 187 . . 72 SER N . 18806 1
708 . 1 1 73 73 GLY H H 1 8.661 0.007 . 1 . 273 . . 73 GLY H . 18806 1
709 . 1 1 73 73 GLY HA2 H 1 3.804 0.014 . 1 . 882 . . 73 GLY HA2 . 18806 1
710 . 1 1 73 73 GLY HA3 H 1 3.804 0.014 . 1 . 883 . . 73 GLY HA3 . 18806 1
711 . 1 1 73 73 GLY C C 13 176.236 . . 1 . 433 . . 73 GLY C . 18806 1
712 . 1 1 73 73 GLY CA C 13 46.952 0.067 . 1 . 881 . . 73 GLY CA . 18806 1
713 . 1 1 73 73 GLY N N 15 110.453 0.019 . 1 . 274 . . 73 GLY N . 18806 1
714 . 1 1 74 74 ASN H H 1 7.740 0.006 . 1 . 41 . . 74 ASN H . 18806 1
715 . 1 1 74 74 ASN HA H 1 4.397 0.012 . 1 . 869 . . 74 ASN HA . 18806 1
716 . 1 1 74 74 ASN HB2 H 1 2.821 0.013 . 1 . 871 . . 74 ASN HB2 . 18806 1
717 . 1 1 74 74 ASN HB3 H 1 2.821 0.013 . 1 . 870 . . 74 ASN HB3 . 18806 1
718 . 1 1 74 74 ASN C C 13 177.974 . . 1 . 432 . . 74 ASN C . 18806 1
719 . 1 1 74 74 ASN CA C 13 55.210 0.021 . 1 . 43 . . 74 ASN CA . 18806 1
720 . 1 1 74 74 ASN CB C 13 37.623 0.079 . 1 . 44 . . 74 ASN CB . 18806 1
721 . 1 1 74 74 ASN N N 15 120.577 0.015 . 1 . 42 . . 74 ASN N . 18806 1
722 . 1 1 75 75 LEU H H 1 7.343 0.009 . 1 . 48 . . 75 LEU H . 18806 1
723 . 1 1 75 75 LEU HA H 1 2.948 0.013 . 1 . 646 . . 75 LEU HA . 18806 1
724 . 1 1 75 75 LEU HB2 H 1 1.041 0.015 . 2 . 977 . . 75 LEU HB2 . 18806 1
725 . 1 1 75 75 LEU HB3 H 1 1.841 0.013 . 2 . 645 . . 75 LEU HB3 . 18806 1
726 . 1 1 75 75 LEU HG H 1 1.346 0.007 . 1 . 1000 . . 75 LEU HG . 18806 1
727 . 1 1 75 75 LEU HD11 H 1 0.793 0.011 . 2 . 644 . . 75 LEU HD11 . 18806 1
728 . 1 1 75 75 LEU HD12 H 1 0.793 0.011 . 2 . 644 . . 75 LEU HD12 . 18806 1
729 . 1 1 75 75 LEU HD13 H 1 0.793 0.011 . 2 . 644 . . 75 LEU HD13 . 18806 1
730 . 1 1 75 75 LEU HD21 H 1 0.704 0.013 . 2 . 643 . . 75 LEU HD21 . 18806 1
731 . 1 1 75 75 LEU HD22 H 1 0.704 0.013 . 2 . 643 . . 75 LEU HD22 . 18806 1
732 . 1 1 75 75 LEU HD23 H 1 0.704 0.013 . 2 . 643 . . 75 LEU HD23 . 18806 1
733 . 1 1 75 75 LEU C C 13 177.097 . . 1 . 431 . . 75 LEU C . 18806 1
734 . 1 1 75 75 LEU CA C 13 57.968 0.078 . 1 . 50 . . 75 LEU CA . 18806 1
735 . 1 1 75 75 LEU CB C 13 40.520 0.079 . 1 . 51 . . 75 LEU CB . 18806 1
736 . 1 1 75 75 LEU CG C 13 26.908 0.021 . 1 . 1001 . . 75 LEU CG . 18806 1
737 . 1 1 75 75 LEU CD1 C 13 26.273 0.058 . 2 . 556 . . 75 LEU CD1 . 18806 1
738 . 1 1 75 75 LEU CD2 C 13 22.725 0.056 . 2 . 557 . . 75 LEU CD2 . 18806 1
739 . 1 1 75 75 LEU N N 15 123.304 0.046 . 1 . 49 . . 75 LEU N . 18806 1
740 . 1 1 76 76 LYS H H 1 8.254 0.01 . 1 . 52 . . 76 LYS H . 18806 1
741 . 1 1 76 76 LYS HA H 1 3.648 0.008 . 1 . 978 . . 76 LYS HA . 18806 1
742 . 1 1 76 76 LYS HB2 H 1 1.721 0.014 . 1 . 1005 . . 76 LYS HB2 . 18806 1
743 . 1 1 76 76 LYS HB3 H 1 1.721 0.014 . 1 . 1004 . . 76 LYS HB3 . 18806 1
744 . 1 1 76 76 LYS HG2 H 1 1.233 0.012 . 1 . 1006 . . 76 LYS HG2 . 18806 1
745 . 1 1 76 76 LYS HG3 H 1 1.232 0.012 . 1 . 1007 . . 76 LYS HG3 . 18806 1
746 . 1 1 76 76 LYS HD2 H 1 1.487 0.013 . 1 . 1009 . . 76 LYS HD2 . 18806 1
747 . 1 1 76 76 LYS HD3 H 1 1.487 0.013 . 1 . 1008 . . 76 LYS HD3 . 18806 1
748 . 1 1 76 76 LYS HE2 H 1 2.780 0.011 . 1 . 1002 . . 76 LYS HE2 . 18806 1
749 . 1 1 76 76 LYS HE3 H 1 2.780 0.011 . 1 . 1003 . . 76 LYS HE3 . 18806 1
750 . 1 1 76 76 LYS C C 13 179.149 . . 1 . 403 . . 76 LYS C . 18806 1
751 . 1 1 76 76 LYS CA C 13 60.272 0.053 . 1 . 54 . . 76 LYS CA . 18806 1
752 . 1 1 76 76 LYS CB C 13 31.908 0.072 . 1 . 120 . . 76 LYS CB . 18806 1
753 . 1 1 76 76 LYS CG C 13 25.900 0.001 . 1 . 529 . . 76 LYS CG . 18806 1
754 . 1 1 76 76 LYS CD C 13 29.270 0.048 . 1 . 530 . . 76 LYS CD . 18806 1
755 . 1 1 76 76 LYS CE C 13 41.796 0.008 . 1 . 531 . . 76 LYS CE . 18806 1
756 . 1 1 76 76 LYS N N 15 118.414 0.03 . 1 . 53 . . 76 LYS N . 18806 1
757 . 1 1 77 77 ARG H H 1 7.452 0.009 . 1 . 121 . . 77 ARG H . 18806 1
758 . 1 1 77 77 ARG HA H 1 3.799 0.008 . 1 . 941 . . 77 ARG HA . 18806 1
759 . 1 1 77 77 ARG HB2 H 1 1.692 0.014 . 1 . 939 . . 77 ARG HB2 . 18806 1
760 . 1 1 77 77 ARG HB3 H 1 1.692 0.014 . 1 . 940 . . 77 ARG HB3 . 18806 1
761 . 1 1 77 77 ARG HG2 H 1 1.439 0.009 . 1 . 956 . . 77 ARG HG2 . 18806 1
762 . 1 1 77 77 ARG HG3 H 1 1.439 0.009 . 1 . 957 . . 77 ARG HG3 . 18806 1
763 . 1 1 77 77 ARG HD2 H 1 3.057 0.012 . 1 . 958 . . 77 ARG HD2 . 18806 1
764 . 1 1 77 77 ARG HD3 H 1 3.057 0.012 . 1 . 959 . . 77 ARG HD3 . 18806 1
765 . 1 1 77 77 ARG C C 13 178.514 . . 1 . 402 . . 77 ARG C . 18806 1
766 . 1 1 77 77 ARG CA C 13 59.234 0.037 . 1 . 123 . . 77 ARG CA . 18806 1
767 . 1 1 77 77 ARG CB C 13 30.442 0.07 . 1 . 124 . . 77 ARG CB . 18806 1
768 . 1 1 77 77 ARG CG C 13 27.980 0.018 . 1 . 527 . . 77 ARG CG . 18806 1
769 . 1 1 77 77 ARG CD C 13 43.205 0.01 . 1 . 528 . . 77 ARG CD . 18806 1
770 . 1 1 77 77 ARG N N 15 117.219 0.057 . 1 . 122 . . 77 ARG N . 18806 1
771 . 1 1 78 78 HIS H H 1 7.306 0.012 . 1 . 125 . . 78 HIS H . 18806 1
772 . 1 1 78 78 HIS HA H 1 4.039 0.011 . 1 . 902 . . 78 HIS HA . 18806 1
773 . 1 1 78 78 HIS HB2 H 1 2.931 0.01 . 2 . 901 . . 78 HIS HB2 . 18806 1
774 . 1 1 78 78 HIS HB3 H 1 2.643 0.015 . 2 . 900 . . 78 HIS HB3 . 18806 1
775 . 1 1 78 78 HIS HD2 H 1 6.719 0.015 . 1 . 966 . . 78 HIS HD2 . 18806 1
776 . 1 1 78 78 HIS HE1 H 1 7.900 0.003 . 1 . 1031 . . 78 HIS HE1 . 18806 1
777 . 1 1 78 78 HIS C C 13 175.930 . . 1 . 660 . . 78 HIS C . 18806 1
778 . 1 1 78 78 HIS CA C 13 59.113 0.075 . 1 . 127 . . 78 HIS CA . 18806 1
779 . 1 1 78 78 HIS CB C 13 28.286 0.065 . 1 . 128 . . 78 HIS CB . 18806 1
780 . 1 1 78 78 HIS CD2 C 13 130.741 . . 1 . 1024 . . 78 HIS CD2 . 18806 1
781 . 1 1 78 78 HIS CE1 C 13 142.456 . . 1 . 1032 . . 78 HIS CE1 . 18806 1
782 . 1 1 78 78 HIS N N 15 119.279 0.042 . 1 . 270 . . 78 HIS N . 18806 1
783 . 1 1 79 79 LEU H H 1 8.084 0.009 . 1 . 659 . . 79 LEU H . 18806 1
784 . 1 1 79 79 LEU HA H 1 3.643 0.013 . 1 . 657 . . 79 LEU HA . 18806 1
785 . 1 1 79 79 LEU HB2 H 1 1.415 0.014 . 2 . 656 . . 79 LEU HB2 . 18806 1
786 . 1 1 79 79 LEU HB3 H 1 1.755 0.011 . 2 . 655 . . 79 LEU HB3 . 18806 1
787 . 1 1 79 79 LEU HG H 1 1.083 0.013 . 1 . 652 . . 79 LEU HG . 18806 1
788 . 1 1 79 79 LEU HD11 H 1 0.840 0.013 . 1 . 653 . . 79 LEU HD11 . 18806 1
789 . 1 1 79 79 LEU HD12 H 1 0.840 0.013 . 1 . 653 . . 79 LEU HD12 . 18806 1
790 . 1 1 79 79 LEU HD13 H 1 0.840 0.013 . 1 . 653 . . 79 LEU HD13 . 18806 1
791 . 1 1 79 79 LEU HD21 H 1 0.840 0.013 . 1 . 654 . . 79 LEU HD21 . 18806 1
792 . 1 1 79 79 LEU HD22 H 1 0.840 0.013 . 1 . 654 . . 79 LEU HD22 . 18806 1
793 . 1 1 79 79 LEU HD23 H 1 0.840 0.013 . 1 . 654 . . 79 LEU HD23 . 18806 1
794 . 1 1 79 79 LEU C C 13 178.932 . . 1 . 400 . . 79 LEU C . 18806 1
795 . 1 1 79 79 LEU CA C 13 57.964 0.034 . 1 . 340 . . 79 LEU CA . 18806 1
796 . 1 1 79 79 LEU CB C 13 41.703 0.061 . 1 . 339 . . 79 LEU CB . 18806 1
797 . 1 1 79 79 LEU CG C 13 24.335 0.049 . 1 . 524 . . 79 LEU CG . 18806 1
798 . 1 1 79 79 LEU CD1 C 13 25.641 0.055 . 1 . 526 . . 79 LEU CD1 . 18806 1
799 . 1 1 79 79 LEU CD2 C 13 25.641 0.055 . 1 . 525 . . 79 LEU CD2 . 18806 1
800 . 1 1 79 79 LEU N N 15 116.633 0.031 . 1 . 658 . . 79 LEU N . 18806 1
801 . 1 1 80 80 ARG H H 1 6.954 0.011 . 1 . 337 . . 80 ARG H . 18806 1
802 . 1 1 80 80 ARG HA H 1 3.936 0.011 . 1 . 934 . . 80 ARG HA . 18806 1
803 . 1 1 80 80 ARG HB2 H 1 1.677 0.008 . 1 . 935 . . 80 ARG HB2 . 18806 1
804 . 1 1 80 80 ARG HB3 H 1 1.677 0.008 . 1 . 936 . . 80 ARG HB3 . 18806 1
805 . 1 1 80 80 ARG HG2 H 1 1.540 0.012 . 1 . 938 . . 80 ARG HG2 . 18806 1
806 . 1 1 80 80 ARG HG3 H 1 1.540 0.012 . 1 . 937 . . 80 ARG HG3 . 18806 1
807 . 1 1 80 80 ARG HD2 H 1 3.053 0.01 . 1 . 961 . . 80 ARG HD2 . 18806 1
808 . 1 1 80 80 ARG HD3 H 1 3.053 0.01 . 1 . 960 . . 80 ARG HD3 . 18806 1
809 . 1 1 80 80 ARG C C 13 178.644 . . 1 . 401 . . 80 ARG C . 18806 1
810 . 1 1 80 80 ARG CA C 13 58.327 0.054 . 1 . 335 . . 80 ARG CA . 18806 1
811 . 1 1 80 80 ARG CB C 13 29.806 0.043 . 1 . 336 . . 80 ARG CB . 18806 1
812 . 1 1 80 80 ARG CG C 13 27.104 0.009 . 1 . 522 . . 80 ARG CG . 18806 1
813 . 1 1 80 80 ARG CD C 13 43.397 0.007 . 1 . 523 . . 80 ARG CD . 18806 1
814 . 1 1 80 80 ARG N N 15 116.912 0.049 . 1 . 338 . . 80 ARG N . 18806 1
815 . 1 1 81 81 ILE H H 1 7.763 0.009 . 1 . 333 . . 81 ILE H . 18806 1
816 . 1 1 81 81 ILE HA H 1 3.798 0.006 . 1 . 933 . . 81 ILE HA . 18806 1
817 . 1 1 81 81 ILE HB H 1 1.536 0.01 . 1 . 1025 . . 81 ILE HB . 18806 1
818 . 1 1 81 81 ILE HG12 H 1 0.786 0.011 . 1 . 1026 . . 81 ILE HG12 . 18806 1
819 . 1 1 81 81 ILE HG13 H 1 0.786 0.011 . 1 . 1023 . . 81 ILE HG13 . 18806 1
820 . 1 1 81 81 ILE HG21 H 1 0.443 0.011 . 1 . 1010 . . 81 ILE HG21 . 18806 1
821 . 1 1 81 81 ILE HG22 H 1 0.443 0.011 . 1 . 1010 . . 81 ILE HG22 . 18806 1
822 . 1 1 81 81 ILE HG23 H 1 0.443 0.011 . 1 . 1010 . . 81 ILE HG23 . 18806 1
823 . 1 1 81 81 ILE HD11 H 1 0.564 0.014 . 1 . 1011 . . 81 ILE HD11 . 18806 1
824 . 1 1 81 81 ILE HD12 H 1 0.564 0.014 . 1 . 1011 . . 81 ILE HD12 . 18806 1
825 . 1 1 81 81 ILE HD13 H 1 0.564 0.014 . 1 . 1011 . . 81 ILE HD13 . 18806 1
826 . 1 1 81 81 ILE C C 13 177.513 . . 1 . 399 . . 81 ILE C . 18806 1
827 . 1 1 81 81 ILE CA C 13 63.010 0.058 . 1 . 332 . . 81 ILE CA . 18806 1
828 . 1 1 81 81 ILE CB C 13 37.270 0.061 . 1 . 331 . . 81 ILE CB . 18806 1
829 . 1 1 81 81 ILE N N 15 116.941 0.024 . 1 . 334 . . 81 ILE N . 18806 1
830 . 1 1 82 82 HIS H H 1 6.975 0.013 . 1 . 329 . . 82 HIS H . 18806 1
831 . 1 1 82 82 HIS HA H 1 4.627 0.005 . 1 . 1014 . . 82 HIS HA . 18806 1
832 . 1 1 82 82 HIS HB2 H 1 3.196 0.008 . 2 . 1013 . . 82 HIS HB2 . 18806 1
833 . 1 1 82 82 HIS HB3 H 1 2.951 0.01 . 2 . 1012 . . 82 HIS HB3 . 18806 1
834 . 1 1 82 82 HIS HD2 H 1 6.516 0.008 . 1 . 1027 . . 82 HIS HD2 . 18806 1
835 . 1 1 82 82 HIS HE1 H 1 7.882 0.011 . 1 . 1029 . . 82 HIS HE1 . 18806 1
836 . 1 1 82 82 HIS C C 13 175.365 . . 1 . 398 . . 82 HIS C . 18806 1
837 . 1 1 82 82 HIS CA C 13 55.064 0.047 . 1 . 266 . . 82 HIS CA . 18806 1
838 . 1 1 82 82 HIS CB C 13 28.514 0.032 . 1 . 267 . . 82 HIS CB . 18806 1
839 . 1 1 82 82 HIS CD2 C 13 130.548 0.028 . 1 . 1028 . . 82 HIS CD2 . 18806 1
840 . 1 1 82 82 HIS CE1 C 13 142.545 0.07 . 1 . 1030 . . 82 HIS CE1 . 18806 1
841 . 1 1 82 82 HIS N N 15 117.229 0.046 . 1 . 330 . . 82 HIS N . 18806 1
842 . 1 1 83 83 SER H H 1 7.586 0.007 . 1 . 129 . . 83 SER H . 18806 1
843 . 1 1 83 83 SER HA H 1 4.261 0.01 . 1 . 930 . . 83 SER HA . 18806 1
844 . 1 1 83 83 SER HB2 H 1 3.775 0.012 . 1 . 931 . . 83 SER HB2 . 18806 1
845 . 1 1 83 83 SER HB3 H 1 3.775 0.012 . 1 . 932 . . 83 SER HB3 . 18806 1
846 . 1 1 83 83 SER C C 13 174.859 . . 1 . 397 . . 83 SER C . 18806 1
847 . 1 1 83 83 SER CA C 13 59.132 0.053 . 1 . 131 . . 83 SER CA . 18806 1
848 . 1 1 83 83 SER CB C 13 63.674 0.037 . 1 . 132 . . 83 SER CB . 18806 1
849 . 1 1 83 83 SER N N 15 114.372 0.051 . 1 . 130 . . 83 SER N . 18806 1
850 . 1 1 84 84 GLY H H 1 8.061 0.005 . 1 . 133 . . 84 GLY H . 18806 1
851 . 1 1 84 84 GLY HA2 H 1 3.816 0.013 . 1 . 629 . . 84 GLY HA2 . 18806 1
852 . 1 1 84 84 GLY HA3 H 1 3.816 0.013 . 1 . 628 . . 84 GLY HA3 . 18806 1
853 . 1 1 84 84 GLY C C 13 174.031 . . 1 . 396 . . 84 GLY C . 18806 1
854 . 1 1 84 84 GLY CA C 13 45.361 0.07 . 1 . 135 . . 84 GLY CA . 18806 1
855 . 1 1 84 84 GLY N N 15 110.203 0.018 . 1 . 134 . . 84 GLY N . 18806 1
856 . 1 1 85 85 GLU H H 1 7.881 0.01 . 1 . 136 . . 85 GLU H . 18806 1
857 . 1 1 85 85 GLU HA H 1 4.085 0.012 . 1 . 687 . . 85 GLU HA . 18806 1
858 . 1 1 85 85 GLU HB2 H 1 1.807 0.012 . 2 . 684 . . 85 GLU HB2 . 18806 1
859 . 1 1 85 85 GLU HB3 H 1 1.873 0.012 . 2 . 683 . . 85 GLU HB3 . 18806 1
860 . 1 1 85 85 GLU HG2 H 1 2.113 0.014 . 2 . 686 . . 85 GLU HG2 . 18806 1
861 . 1 1 85 85 GLU HG3 H 1 2.141 0.009 . 2 . 685 . . 85 GLU HG3 . 18806 1
862 . 1 1 85 85 GLU C C 13 176.197 . . 1 . 395 . . 85 GLU C . 18806 1
863 . 1 1 85 85 GLU CA C 13 56.641 0.071 . 1 . 138 . . 85 GLU CA . 18806 1
864 . 1 1 85 85 GLU CB C 13 30.408 0.042 . 1 . 139 . . 85 GLU CB . 18806 1
865 . 1 1 85 85 GLU CG C 13 36.140 0.054 . 1 . 521 . . 85 GLU CG . 18806 1
866 . 1 1 85 85 GLU N N 15 119.951 0.02 . 1 . 137 . . 85 GLU N . 18806 1
867 . 1 1 86 86 LYS H H 1 8.079 0.009 . 1 . 140 . . 86 LYS H . 18806 1
868 . 1 1 86 86 LYS HA H 1 4.391 0.012 . 1 . 1168 . . 86 LYS HA . 18806 1
869 . 1 1 86 86 LYS HB2 H 1 1.440 0.013 . 1 . 1169 . . 86 LYS HB2 . 18806 1
870 . 1 1 86 86 LYS HB3 H 1 1.440 0.013 . 1 . 1170 . . 86 LYS HB3 . 18806 1
871 . 1 1 86 86 LYS HG2 H 1 1.069 0.007 . 1 . 1173 . . 86 LYS HG2 . 18806 1
872 . 1 1 86 86 LYS HG3 H 1 1.069 0.007 . 1 . 1174 . . 86 LYS HG3 . 18806 1
873 . 1 1 86 86 LYS HD2 H 1 1.207 0.014 . 1 . 1172 . . 86 LYS HD2 . 18806 1
874 . 1 1 86 86 LYS HD3 H 1 1.207 0.014 . 1 . 1171 . . 86 LYS HD3 . 18806 1
875 . 1 1 86 86 LYS CA C 13 53.803 0.006 . 1 . 143 . . 86 LYS CA . 18806 1
876 . 1 1 86 86 LYS CB C 13 33.098 0.008 . 1 . 142 . . 86 LYS CB . 18806 1
877 . 1 1 86 86 LYS N N 15 121.528 0.041 . 1 . 141 . . 86 LYS N . 18806 1
878 . 1 1 87 87 PRO HA H 1 4.165 0.011 . 1 . 1158 . . 87 PRO HA . 18806 1
879 . 1 1 87 87 PRO HB2 H 1 1.871 0.014 . 1 . 1017 . . 87 PRO HB2 . 18806 1
880 . 1 1 87 87 PRO HB3 H 1 1.871 0.014 . 1 . 1018 . . 87 PRO HB3 . 18806 1
881 . 1 1 87 87 PRO HG2 H 1 1.677 0.007 . 1 . 1020 . . 87 PRO HG2 . 18806 1
882 . 1 1 87 87 PRO HG3 H 1 1.677 0.007 . 1 . 1019 . . 87 PRO HG3 . 18806 1
883 . 1 1 87 87 PRO HD2 H 1 3.451 0.009 . 1 . 1016 . . 87 PRO HD2 . 18806 1
884 . 1 1 87 87 PRO HD3 H 1 3.451 0.009 . 1 . 1015 . . 87 PRO HD3 . 18806 1
885 . 1 1 87 87 PRO C C 13 176.103 . . 1 . 394 . . 87 PRO C . 18806 1
886 . 1 1 87 87 PRO CA C 13 63.071 0.068 . 1 . 185 . . 87 PRO CA . 18806 1
887 . 1 1 87 87 PRO CB C 13 31.922 0.036 . 1 . 184 . . 87 PRO CB . 18806 1
888 . 1 1 87 87 PRO CG C 13 26.478 0.076 . 1 . 519 . . 87 PRO CG . 18806 1
889 . 1 1 87 87 PRO CD C 13 49.706 0.016 . 1 . 520 . . 87 PRO CD . 18806 1
890 . 1 1 88 88 TYR H H 1 7.917 0.006 . 1 . 180 . . 88 TYR H . 18806 1
891 . 1 1 88 88 TYR HA H 1 4.453 0.014 . 1 . 916 . . 88 TYR HA . 18806 1
892 . 1 1 88 88 TYR HB2 H 1 2.763 0.011 . 1 . 917 . . 88 TYR HB2 . 18806 1
893 . 1 1 88 88 TYR HB3 H 1 2.764 0.011 . 1 . 918 . . 88 TYR HB3 . 18806 1
894 . 1 1 88 88 TYR HD1 H 1 6.883 0.01 . 3 . 1175 . . 88 TYR HD1 . 18806 1
895 . 1 1 88 88 TYR HD2 H 1 6.883 0.01 . 3 . 1175 . . 88 TYR HD2 . 18806 1
896 . 1 1 88 88 TYR C C 13 174.419 . . 1 . 393 . . 88 TYR C . 18806 1
897 . 1 1 88 88 TYR CA C 13 57.597 0.042 . 1 . 182 . . 88 TYR CA . 18806 1
898 . 1 1 88 88 TYR CB C 13 37.762 0.058 . 1 . 183 . . 88 TYR CB . 18806 1
899 . 1 1 88 88 TYR CD1 C 13 136.067 0.026 . 3 . 1201 . . 88 TYR CD1 . 18806 1
900 . 1 1 88 88 TYR CD2 C 13 136.067 0.026 . 3 . 1201 . . 88 TYR CD2 . 18806 1
901 . 1 1 88 88 TYR N N 15 119.446 0.054 . 1 . 181 . . 88 TYR N . 18806 1
902 . 1 1 89 89 VAL H H 1 8.195 0.007 . 1 . 176 . . 89 VAL H . 18806 1
903 . 1 1 89 89 VAL HA H 1 4.578 0.011 . 1 . 722 . . 89 VAL HA . 18806 1
904 . 1 1 89 89 VAL HB H 1 1.702 0.013 . 1 . 721 . . 89 VAL HB . 18806 1
905 . 1 1 89 89 VAL HG11 H 1 0.649 0.011 . 2 . 720 . . 89 VAL HG11 . 18806 1
906 . 1 1 89 89 VAL HG12 H 1 0.649 0.011 . 2 . 720 . . 89 VAL HG12 . 18806 1
907 . 1 1 89 89 VAL HG13 H 1 0.649 0.011 . 2 . 720 . . 89 VAL HG13 . 18806 1
908 . 1 1 89 89 VAL HG21 H 1 0.599 0.013 . 2 . 719 . . 89 VAL HG21 . 18806 1
909 . 1 1 89 89 VAL HG22 H 1 0.599 0.013 . 2 . 719 . . 89 VAL HG22 . 18806 1
910 . 1 1 89 89 VAL HG23 H 1 0.599 0.013 . 2 . 719 . . 89 VAL HG23 . 18806 1
911 . 1 1 89 89 VAL C C 13 175.019 . . 1 . 392 . . 89 VAL C . 18806 1
912 . 1 1 89 89 VAL CA C 13 60.879 0.054 . 1 . 178 . . 89 VAL CA . 18806 1
913 . 1 1 89 89 VAL CB C 13 34.764 0.029 . 1 . 179 . . 89 VAL CB . 18806 1
914 . 1 1 89 89 VAL CG1 C 13 21.513 0.065 . 2 . 718 . . 89 VAL CG1 . 18806 1
915 . 1 1 89 89 VAL CG2 C 13 20.584 0.048 . 2 . 518 . . 89 VAL CG2 . 18806 1
916 . 1 1 89 89 VAL N N 15 123.957 0.037 . 1 . 177 . . 89 VAL N . 18806 1
917 . 1 1 90 90 CYS H H 1 8.869 0.009 . 1 . 172 . . 90 CYS H . 18806 1
918 . 1 1 90 90 CYS HA H 1 4.504 0.013 . 1 . 692 . . 90 CYS HA . 18806 1
919 . 1 1 90 90 CYS HB2 H 1 2.753 0.012 . 2 . 694 . . 90 CYS HB2 . 18806 1
920 . 1 1 90 90 CYS HB3 H 1 3.275 0.01 . 2 . 693 . . 90 CYS HB3 . 18806 1
921 . 1 1 90 90 CYS C C 13 177.110 . . 1 . 391 . . 90 CYS C . 18806 1
922 . 1 1 90 90 CYS CA C 13 59.226 0.065 . 1 . 174 . . 90 CYS CA . 18806 1
923 . 1 1 90 90 CYS CB C 13 29.983 0.071 . 1 . 175 . . 90 CYS CB . 18806 1
924 . 1 1 90 90 CYS N N 15 128.789 0.03 . 1 . 173 . . 90 CYS N . 18806 1
925 . 1 1 91 91 ILE H H 1 8.687 0.007 . 1 . 168 . . 91 ILE H . 18806 1
926 . 1 1 91 91 ILE HA H 1 3.915 0.01 . 1 . 1078 . . 91 ILE HA . 18806 1
927 . 1 1 91 91 ILE HB H 1 1.700 0.007 . 1 . 1079 . . 91 ILE HB . 18806 1
928 . 1 1 91 91 ILE HG12 H 1 0.957 0.012 . 1 . 1080 . . 91 ILE HG12 . 18806 1
929 . 1 1 91 91 ILE HG13 H 1 0.957 0.012 . 1 . 1081 . . 91 ILE HG13 . 18806 1
930 . 1 1 91 91 ILE HG21 H 1 0.625 0.009 . 1 . 1082 . . 91 ILE HG21 . 18806 1
931 . 1 1 91 91 ILE HG22 H 1 0.625 0.009 . 1 . 1082 . . 91 ILE HG22 . 18806 1
932 . 1 1 91 91 ILE HG23 H 1 0.625 0.009 . 1 . 1082 . . 91 ILE HG23 . 18806 1
933 . 1 1 91 91 ILE HD11 H 1 0.749 0.007 . 1 . 1199 . . 91 ILE HD11 . 18806 1
934 . 1 1 91 91 ILE HD12 H 1 0.749 0.007 . 1 . 1199 . . 91 ILE HD12 . 18806 1
935 . 1 1 91 91 ILE HD13 H 1 0.749 0.007 . 1 . 1199 . . 91 ILE HD13 . 18806 1
936 . 1 1 91 91 ILE C C 13 175.617 . . 1 . 485 . . 91 ILE C . 18806 1
937 . 1 1 91 91 ILE CA C 13 62.872 0.064 . 1 . 170 . . 91 ILE CA . 18806 1
938 . 1 1 91 91 ILE CB C 13 37.599 0.048 . 1 . 171 . . 91 ILE CB . 18806 1
939 . 1 1 91 91 ILE CG1 C 13 28.529 . . 1 . 590 . . 91 ILE CG1 . 18806 1
940 . 1 1 91 91 ILE CG2 C 13 17.542 0.027 . 1 . 591 . . 91 ILE CG2 . 18806 1
941 . 1 1 91 91 ILE CD1 C 13 13.948 . . 1 . 592 . . 91 ILE CD1 . 18806 1
942 . 1 1 91 91 ILE N N 15 128.330 0.035 . 1 . 169 . . 91 ILE N . 18806 1
943 . 1 1 92 92 HIS H H 1 8.526 0.015 . 1 . 483 . . 92 HIS H . 18806 1
944 . 1 1 92 92 HIS HA H 1 4.204 0.013 . 1 . 888 . . 92 HIS HA . 18806 1
945 . 1 1 92 92 HIS HB2 H 1 1.768 0.013 . 2 . 1176 . . 92 HIS HB2 . 18806 1
946 . 1 1 92 92 HIS HB3 H 1 2.205 0.013 . 2 . 1077 . . 92 HIS HB3 . 18806 1
947 . 1 1 92 92 HIS C C 13 176.698 . . 1 . 390 . . 92 HIS C . 18806 1
948 . 1 1 92 92 HIS CA C 13 57.915 0.038 . 1 . 264 . . 92 HIS CA . 18806 1
949 . 1 1 92 92 HIS CB C 13 29.583 0.068 . 1 . 265 . . 92 HIS CB . 18806 1
950 . 1 1 92 92 HIS N N 15 121.590 0.059 . 1 . 484 . . 92 HIS N . 18806 1
951 . 1 1 93 93 CYS H H 1 7.958 0.013 . 1 . 213 . . 93 CYS H . 18806 1
952 . 1 1 93 93 CYS HA H 1 5.023 0.007 . 1 . 885 . . 93 CYS HA . 18806 1
953 . 1 1 93 93 CYS HB2 H 1 3.312 0.015 . 2 . 887 . . 93 CYS HB2 . 18806 1
954 . 1 1 93 93 CYS HB3 H 1 2.723 0.014 . 2 . 886 . . 93 CYS HB3 . 18806 1
955 . 1 1 93 93 CYS C C 13 174.973 . . 1 . 389 . . 93 CYS C . 18806 1
956 . 1 1 93 93 CYS CA C 13 58.432 0.033 . 1 . 215 . . 93 CYS CA . 18806 1
957 . 1 1 93 93 CYS CB C 13 32.158 0.072 . 1 . 216 . . 93 CYS CB . 18806 1
958 . 1 1 93 93 CYS N N 15 115.876 0.021 . 1 . 214 . . 93 CYS N . 18806 1
959 . 1 1 94 94 GLN H H 1 8.178 0.011 . 1 . 217 . . 94 GLN H . 18806 1
960 . 1 1 94 94 GLN HA H 1 3.876 0.012 . 1 . 738 . . 94 GLN HA . 18806 1
961 . 1 1 94 94 GLN HB2 H 1 2.306 0.011 . 2 . 737 . . 94 GLN HB2 . 18806 1
962 . 1 1 94 94 GLN HB3 H 1 2.186 0.007 . 2 . 736 . . 94 GLN HB3 . 18806 1
963 . 1 1 94 94 GLN HG2 H 1 2.099 0.015 . 1 . 734 . . 94 GLN HG2 . 18806 1
964 . 1 1 94 94 GLN HG3 H 1 2.099 0.015 . 1 . 735 . . 94 GLN HG3 . 18806 1
965 . 1 1 94 94 GLN HE21 H 1 7.129 0.01 . 1 . 859 . . 94 GLN HE21 . 18806 1
966 . 1 1 94 94 GLN HE22 H 1 6.368 0.004 . 1 . 842 . . 94 GLN HE22 . 18806 1
967 . 1 1 94 94 GLN C C 13 174.707 . . 1 . 388 . . 94 GLN C . 18806 1
968 . 1 1 94 94 GLN CA C 13 58.288 0.073 . 1 . 220 . . 94 GLN CA . 18806 1
969 . 1 1 94 94 GLN CB C 13 25.429 0.055 . 1 . 219 . . 94 GLN CB . 18806 1
970 . 1 1 94 94 GLN CG C 13 34.360 0.054 . 1 . 517 . . 94 GLN CG . 18806 1
971 . 1 1 94 94 GLN N N 15 116.348 0.034 . 1 . 218 . . 94 GLN N . 18806 1
972 . 1 1 94 94 GLN NE2 N 15 112.157 0.053 . 1 . 860 . . 94 GLN NE2 . 18806 1
973 . 1 1 95 95 ARG H H 1 7.856 0.011 . 1 . 221 . . 95 ARG H . 18806 1
974 . 1 1 95 95 ARG HA H 1 3.927 0.012 . 1 . 698 . . 95 ARG HA . 18806 1
975 . 1 1 95 95 ARG HB2 H 1 1.354 0.012 . 2 . 704 . . 95 ARG HB2 . 18806 1
976 . 1 1 95 95 ARG HB3 H 1 1.201 0.015 . 2 . 705 . . 95 ARG HB3 . 18806 1
977 . 1 1 95 95 ARG HG2 H 1 1.705 0.011 . 2 . 711 . . 95 ARG HG2 . 18806 1
978 . 1 1 95 95 ARG HG3 H 1 1.671 0.015 . 2 . 712 . . 95 ARG HG3 . 18806 1
979 . 1 1 95 95 ARG HD2 H 1 2.758 0.009 . 2 . 702 . . 95 ARG HD2 . 18806 1
980 . 1 1 95 95 ARG HD3 H 1 2.976 0.008 . 2 . 703 . . 95 ARG HD3 . 18806 1
981 . 1 1 95 95 ARG C C 13 174.113 . . 1 . 387 . . 95 ARG C . 18806 1
982 . 1 1 95 95 ARG CA C 13 57.979 0.031 . 1 . 223 . . 95 ARG CA . 18806 1
983 . 1 1 95 95 ARG CB C 13 31.403 0.038 . 1 . 224 . . 95 ARG CB . 18806 1
984 . 1 1 95 95 ARG CG C 13 28.398 0.018 . 1 . 515 . . 95 ARG CG . 18806 1
985 . 1 1 95 95 ARG CD C 13 43.547 0.078 . 1 . 516 . . 95 ARG CD . 18806 1
986 . 1 1 95 95 ARG N N 15 121.105 0.053 . 1 . 222 . . 95 ARG N . 18806 1
987 . 1 1 96 96 GLN H H 1 7.833 0.007 . 1 . 225 . . 96 GLN H . 18806 1
988 . 1 1 96 96 GLN HA H 1 4.845 0.011 . 1 . 913 . . 96 GLN HA . 18806 1
989 . 1 1 96 96 GLN HB2 H 1 2.034 0.014 . 1 . 1075 . . 96 GLN HB2 . 18806 1
990 . 1 1 96 96 GLN HB3 H 1 2.034 0.014 . 1 . 1074 . . 96 GLN HB3 . 18806 1
991 . 1 1 96 96 GLN HG2 H 1 2.189 0.012 . 1 . 1072 . . 96 GLN HG2 . 18806 1
992 . 1 1 96 96 GLN HG3 H 1 2.189 0.012 . 1 . 1073 . . 96 GLN HG3 . 18806 1
993 . 1 1 96 96 GLN C C 13 174.982 . . 1 . 386 . . 96 GLN C . 18806 1
994 . 1 1 96 96 GLN CA C 13 54.273 0.056 . 1 . 228 . . 96 GLN CA . 18806 1
995 . 1 1 96 96 GLN CB C 13 31.188 0.035 . 1 . 227 . . 96 GLN CB . 18806 1
996 . 1 1 96 96 GLN CG C 13 34.060 . . 1 . 514 . . 96 GLN CG . 18806 1
997 . 1 1 96 96 GLN N N 15 119.070 0.045 . 1 . 226 . . 96 GLN N . 18806 1
998 . 1 1 97 97 PHE H H 1 8.875 0.008 . 1 . 22 . . 97 PHE H . 18806 1
999 . 1 1 97 97 PHE HA H 1 4.456 0.014 . 1 . 914 . . 97 PHE HA . 18806 1
1000 . 1 1 97 97 PHE HB2 H 1 2.596 0.009 . 2 . 1071 . . 97 PHE HB2 . 18806 1
1001 . 1 1 97 97 PHE HB3 H 1 3.114 0.011 . 2 . 915 . . 97 PHE HB3 . 18806 1
1002 . 1 1 97 97 PHE HD1 H 1 7.039 0.012 . 3 . 942 . . 97 PHE HD1 . 18806 1
1003 . 1 1 97 97 PHE HD2 H 1 7.039 0.012 . 3 . 942 . . 97 PHE HD2 . 18806 1
1004 . 1 1 97 97 PHE HE1 H 1 6.665 0.002 . 3 . 1223 . . 97 PHE HE1 . 18806 1
1005 . 1 1 97 97 PHE HE2 H 1 6.665 0.002 . 3 . 1223 . . 97 PHE HE2 . 18806 1
1006 . 1 1 97 97 PHE HZ H 1 5.869 0.005 . 1 . 1203 . . 97 PHE HZ . 18806 1
1007 . 1 1 97 97 PHE C C 13 174.888 . . 1 . 385 . . 97 PHE C . 18806 1
1008 . 1 1 97 97 PHE CA C 13 57.285 0.011 . 1 . 24 . . 97 PHE CA . 18806 1
1009 . 1 1 97 97 PHE CB C 13 43.463 0.069 . 1 . 25 . . 97 PHE CB . 18806 1
1010 . 1 1 97 97 PHE CD1 C 13 135.172 0.041 . 3 . 1202 . . 97 PHE CD1 . 18806 1
1011 . 1 1 97 97 PHE CD2 C 13 135.172 0.041 . 3 . 1202 . . 97 PHE CD2 . 18806 1
1012 . 1 1 97 97 PHE CZ C 13 131.433 0.017 . 1 . 1224 . . 97 PHE CZ . 18806 1
1013 . 1 1 97 97 PHE N N 15 118.706 0.052 . 1 . 23 . . 97 PHE N . 18806 1
1014 . 1 1 98 98 ALA H H 1 9.019 0.01 . 1 . 18 . . 98 ALA H . 18806 1
1015 . 1 1 98 98 ALA HA H 1 4.462 0.014 . 1 . 615 . . 98 ALA HA . 18806 1
1016 . 1 1 98 98 ALA HB1 H 1 1.454 0.011 . 1 . 614 . . 98 ALA HB1 . 18806 1
1017 . 1 1 98 98 ALA HB2 H 1 1.454 0.011 . 1 . 614 . . 98 ALA HB2 . 18806 1
1018 . 1 1 98 98 ALA HB3 H 1 1.454 0.011 . 1 . 614 . . 98 ALA HB3 . 18806 1
1019 . 1 1 98 98 ALA C C 13 176.342 . . 1 . 384 . . 98 ALA C . 18806 1
1020 . 1 1 98 98 ALA CA C 13 53.297 0.015 . 1 . 20 . . 98 ALA CA . 18806 1
1021 . 1 1 98 98 ALA CB C 13 19.970 0.057 . 1 . 21 . . 98 ALA CB . 18806 1
1022 . 1 1 98 98 ALA N N 15 121.599 0.032 . 1 . 19 . . 98 ALA N . 18806 1
1023 . 1 1 99 99 ASP H H 1 7.323 0.006 . 1 . 14 . . 99 ASP H . 18806 1
1024 . 1 1 99 99 ASP HA H 1 4.742 0.013 . 1 . 642 . . 99 ASP HA . 18806 1
1025 . 1 1 99 99 ASP HB2 H 1 2.535 0.014 . 2 . 641 . . 99 ASP HB2 . 18806 1
1026 . 1 1 99 99 ASP HB3 H 1 2.666 0.013 . 2 . 640 . . 99 ASP HB3 . 18806 1
1027 . 1 1 99 99 ASP CA C 13 51.162 0.064 . 1 . 16 . . 99 ASP CA . 18806 1
1028 . 1 1 99 99 ASP CB C 13 42.663 0.035 . 1 . 17 . . 99 ASP CB . 18806 1
1029 . 1 1 99 99 ASP N N 15 114.064 0.051 . 1 . 15 . . 99 ASP N . 18806 1
1030 . 1 1 100 100 PRO HA H 1 3.463 0.014 . 1 . 924 . . 100 PRO HA . 18806 1
1031 . 1 1 100 100 PRO HB2 H 1 1.712 0.012 . 2 . 634 . . 100 PRO HB2 . 18806 1
1032 . 1 1 100 100 PRO HB3 H 1 1.641 0.011 . 2 . 635 . . 100 PRO HB3 . 18806 1
1033 . 1 1 100 100 PRO HG2 H 1 1.556 0.007 . 2 . 637 . . 100 PRO HG2 . 18806 1
1034 . 1 1 100 100 PRO HG3 H 1 1.811 0.014 . 2 . 636 . . 100 PRO HG3 . 18806 1
1035 . 1 1 100 100 PRO HD2 H 1 3.025 0.008 . 2 . 633 . . 100 PRO HD2 . 18806 1
1036 . 1 1 100 100 PRO HD3 H 1 3.617 0.01 . 2 . 632 . . 100 PRO HD3 . 18806 1
1037 . 1 1 100 100 PRO C C 13 178.935 . . 1 . 383 . . 100 PRO C . 18806 1
1038 . 1 1 100 100 PRO CA C 13 64.030 0.075 . 1 . 12 . . 100 PRO CA . 18806 1
1039 . 1 1 100 100 PRO CB C 13 31.142 0.071 . 1 . 13 . . 100 PRO CB . 18806 1
1040 . 1 1 100 100 PRO CG C 13 26.824 0.024 . 1 . 512 . . 100 PRO CG . 18806 1
1041 . 1 1 100 100 PRO CD C 13 50.016 0.034 . 1 . 513 . . 100 PRO CD . 18806 1
1042 . 1 1 101 101 GLY H H 1 8.262 0.01 . 1 . 9 . . 101 GLY H . 18806 1
1043 . 1 1 101 101 GLY HA2 H 1 3.630 0.011 . 1 . 803 . . 101 GLY HA2 . 18806 1
1044 . 1 1 101 101 GLY HA3 H 1 3.630 0.011 . 1 . 804 . . 101 GLY HA3 . 18806 1
1045 . 1 1 101 101 GLY C C 13 175.852 . . 1 . 382 . . 101 GLY C . 18806 1
1046 . 1 1 101 101 GLY CA C 13 46.678 0.054 . 1 . 11 . . 101 GLY CA . 18806 1
1047 . 1 1 101 101 GLY N N 15 110.226 0.057 . 1 . 10 . . 101 GLY N . 18806 1
1048 . 1 1 102 102 ALA H H 1 8.019 0.005 . 1 . 5 . . 102 ALA H . 18806 1
1049 . 1 1 102 102 ALA HA H 1 3.817 0.012 . 1 . 610 . . 102 ALA HA . 18806 1
1050 . 1 1 102 102 ALA HB1 H 1 1.465 0.011 . 1 . 611 . . 102 ALA HB1 . 18806 1
1051 . 1 1 102 102 ALA HB2 H 1 1.465 0.011 . 1 . 611 . . 102 ALA HB2 . 18806 1
1052 . 1 1 102 102 ALA HB3 H 1 1.465 0.011 . 1 . 611 . . 102 ALA HB3 . 18806 1
1053 . 1 1 102 102 ALA C C 13 180.540 . . 1 . 381 . . 102 ALA C . 18806 1
1054 . 1 1 102 102 ALA CA C 13 54.496 0.046 . 1 . 7 . . 102 ALA CA . 18806 1
1055 . 1 1 102 102 ALA CB C 13 18.812 0.071 . 1 . 8 . . 102 ALA CB . 18806 1
1056 . 1 1 102 102 ALA N N 15 125.555 0.035 . 1 . 6 . . 102 ALA N . 18806 1
1057 . 1 1 103 103 LEU H H 1 6.789 0.009 . 1 . 1 . . 103 LEU H . 18806 1
1058 . 1 1 103 103 LEU HA H 1 2.975 0.008 . 1 . 1070 . . 103 LEU HA . 18806 1
1059 . 1 1 103 103 LEU HB2 H 1 1.706 0.013 . 2 . 925 . . 103 LEU HB2 . 18806 1
1060 . 1 1 103 103 LEU HB3 H 1 1.029 0.009 . 2 . 926 . . 103 LEU HB3 . 18806 1
1061 . 1 1 103 103 LEU HG H 1 1.429 0.01 . 1 . 929 . . 103 LEU HG . 18806 1
1062 . 1 1 103 103 LEU HD11 H 1 0.775 0.01 . 2 . 928 . . 103 LEU HD11 . 18806 1
1063 . 1 1 103 103 LEU HD12 H 1 0.775 0.01 . 2 . 928 . . 103 LEU HD12 . 18806 1
1064 . 1 1 103 103 LEU HD13 H 1 0.775 0.01 . 2 . 928 . . 103 LEU HD13 . 18806 1
1065 . 1 1 103 103 LEU HD21 H 1 0.864 0.015 . 2 . 927 . . 103 LEU HD21 . 18806 1
1066 . 1 1 103 103 LEU HD22 H 1 0.864 0.015 . 2 . 927 . . 103 LEU HD22 . 18806 1
1067 . 1 1 103 103 LEU HD23 H 1 0.864 0.015 . 2 . 927 . . 103 LEU HD23 . 18806 1
1068 . 1 1 103 103 LEU C C 13 176.809 . . 1 . 380 . . 103 LEU C . 18806 1
1069 . 1 1 103 103 LEU CA C 13 57.588 0.064 . 1 . 3 . . 103 LEU CA . 18806 1
1070 . 1 1 103 103 LEU CB C 13 40.519 0.066 . 1 . 4 . . 103 LEU CB . 18806 1
1071 . 1 1 103 103 LEU CG C 13 26.606 . . 1 . 510 . . 103 LEU CG . 18806 1
1072 . 1 1 103 103 LEU CD1 C 13 23.066 0.038 . 2 . 950 . . 103 LEU CD1 . 18806 1
1073 . 1 1 103 103 LEU CD2 C 13 23.359 0.026 . 2 . 509 . . 103 LEU CD2 . 18806 1
1074 . 1 1 103 103 LEU N N 15 118.329 0.033 . 1 . 2 . . 103 LEU N . 18806 1
1075 . 1 1 104 104 GLN H H 1 7.861 0.009 . 1 . 201 . . 104 GLN H . 18806 1
1076 . 1 1 104 104 GLN HA H 1 3.800 0.011 . 1 . 678 . . 104 GLN HA . 18806 1
1077 . 1 1 104 104 GLN HB2 H 1 1.990 0.014 . 1 . 681 . . 104 GLN HB2 . 18806 1
1078 . 1 1 104 104 GLN HB3 H 1 1.990 0.014 . 1 . 682 . . 104 GLN HB3 . 18806 1
1079 . 1 1 104 104 GLN HG2 H 1 2.220 0.015 . 2 . 680 . . 104 GLN HG2 . 18806 1
1080 . 1 1 104 104 GLN HG3 H 1 2.304 0.009 . 2 . 679 . . 104 GLN HG3 . 18806 1
1081 . 1 1 104 104 GLN HE21 H 1 6.657 0.015 . 1 . 861 . . 104 GLN HE21 . 18806 1
1082 . 1 1 104 104 GLN HE22 H 1 7.476 0.011 . 1 . 849 . . 104 GLN HE22 . 18806 1
1083 . 1 1 104 104 GLN C C 13 178.340 . . 1 . 379 . . 104 GLN C . 18806 1
1084 . 1 1 104 104 GLN CA C 13 58.869 0.057 . 1 . 203 . . 104 GLN CA . 18806 1
1085 . 1 1 104 104 GLN CB C 13 27.988 0.053 . 1 . 204 . . 104 GLN CB . 18806 1
1086 . 1 1 104 104 GLN CG C 13 33.706 0.078 . 1 . 508 . . 104 GLN CG . 18806 1
1087 . 1 1 104 104 GLN N N 15 118.337 0.053 . 1 . 202 . . 104 GLN N . 18806 1
1088 . 1 1 104 104 GLN NE2 N 15 111.002 0.052 . 1 . 850 . . 104 GLN NE2 . 18806 1
1089 . 1 1 105 105 ARG H H 1 7.707 0.005 . 1 . 197 . . 105 ARG H . 18806 1
1090 . 1 1 105 105 ARG HA H 1 3.815 0.009 . 1 . 1069 . . 105 ARG HA . 18806 1
1091 . 1 1 105 105 ARG HB2 H 1 1.640 0.011 . 1 . 922 . . 105 ARG HB2 . 18806 1
1092 . 1 1 105 105 ARG HB3 H 1 1.639 0.011 . 1 . 923 . . 105 ARG HB3 . 18806 1
1093 . 1 1 105 105 ARG HG2 H 1 1.332 0.008 . 1 . 955 . . 105 ARG HG2 . 18806 1
1094 . 1 1 105 105 ARG HG3 H 1 1.332 0.008 . 1 . 954 . . 105 ARG HG3 . 18806 1
1095 . 1 1 105 105 ARG HD2 H 1 3.062 0.008 . 1 . 1068 . . 105 ARG HD2 . 18806 1
1096 . 1 1 105 105 ARG HD3 H 1 3.062 0.008 . 1 . 1067 . . 105 ARG HD3 . 18806 1
1097 . 1 1 105 105 ARG C C 13 178.351 . . 1 . 378 . . 105 ARG C . 18806 1
1098 . 1 1 105 105 ARG CA C 13 58.968 0.054 . 1 . 199 . . 105 ARG CA . 18806 1
1099 . 1 1 105 105 ARG CB C 13 30.210 0.055 . 1 . 200 . . 105 ARG CB . 18806 1
1100 . 1 1 105 105 ARG CG C 13 28.003 0.008 . 1 . 506 . . 105 ARG CG . 18806 1
1101 . 1 1 105 105 ARG CD C 13 43.004 0.009 . 1 . 507 . . 105 ARG CD . 18806 1
1102 . 1 1 105 105 ARG N N 15 116.516 0.04 . 1 . 198 . . 105 ARG N . 18806 1
1103 . 1 1 106 106 HIS H H 1 7.363 0.01 . 1 . 194 . . 106 HIS H . 18806 1
1104 . 1 1 106 106 HIS HA H 1 4.103 0.014 . 1 . 723 . . 106 HIS HA . 18806 1
1105 . 1 1 106 106 HIS HB2 H 1 2.703 0.011 . 2 . 908 . . 106 HIS HB2 . 18806 1
1106 . 1 1 106 106 HIS HB3 H 1 2.900 0.01 . 2 . 907 . . 106 HIS HB3 . 18806 1
1107 . 1 1 106 106 HIS HD2 H 1 6.681 0.004 . 1 . 1200 . . 106 HIS HD2 . 18806 1
1108 . 1 1 106 106 HIS HE1 H 1 7.878 . . 1 . 1225 . . 106 HIS HE1 . 18806 1
1109 . 1 1 106 106 HIS C C 13 176.619 . . 1 . 377 . . 106 HIS C . 18806 1
1110 . 1 1 106 106 HIS CA C 13 59.059 0.077 . 1 . 195 . . 106 HIS CA . 18806 1
1111 . 1 1 106 106 HIS CB C 13 28.524 0.075 . 1 . 196 . . 106 HIS CB . 18806 1
1112 . 1 1 106 106 HIS N N 15 118.237 0.053 . 1 . 909 . . 106 HIS N . 18806 1
1113 . 1 1 107 107 VAL H H 1 8.352 0.008 . 1 . 164 . . 107 VAL H . 18806 1
1114 . 1 1 107 107 VAL HA H 1 3.473 0.012 . 1 . 717 . . 107 VAL HA . 18806 1
1115 . 1 1 107 107 VAL HB H 1 2.207 0.014 . 1 . 716 . . 107 VAL HB . 18806 1
1116 . 1 1 107 107 VAL HG11 H 1 1.257 0.013 . 2 . 715 . . 107 VAL HG11 . 18806 1
1117 . 1 1 107 107 VAL HG12 H 1 1.257 0.013 . 2 . 715 . . 107 VAL HG12 . 18806 1
1118 . 1 1 107 107 VAL HG13 H 1 1.257 0.013 . 2 . 715 . . 107 VAL HG13 . 18806 1
1119 . 1 1 107 107 VAL HG21 H 1 1.191 0.014 . 2 . 714 . . 107 VAL HG21 . 18806 1
1120 . 1 1 107 107 VAL HG22 H 1 1.191 0.014 . 2 . 714 . . 107 VAL HG22 . 18806 1
1121 . 1 1 107 107 VAL HG23 H 1 1.191 0.014 . 2 . 714 . . 107 VAL HG23 . 18806 1
1122 . 1 1 107 107 VAL C C 13 176.810 . . 1 . 376 . . 107 VAL C . 18806 1
1123 . 1 1 107 107 VAL CA C 13 66.042 0.036 . 1 . 166 . . 107 VAL CA . 18806 1
1124 . 1 1 107 107 VAL CB C 13 31.888 0.07 . 1 . 167 . . 107 VAL CB . 18806 1
1125 . 1 1 107 107 VAL CG1 C 13 22.376 0.024 . 2 . 713 . . 107 VAL CG1 . 18806 1
1126 . 1 1 107 107 VAL CG2 C 13 21.848 0.048 . 2 . 511 . . 107 VAL CG2 . 18806 1
1127 . 1 1 107 107 VAL N N 15 114.907 0.041 . 1 . 165 . . 107 VAL N . 18806 1
1128 . 1 1 108 108 ARG H H 1 6.735 0.008 . 1 . 160 . . 108 ARG H . 18806 1
1129 . 1 1 108 108 ARG HA H 1 4.002 0.009 . 1 . 919 . . 108 ARG HA . 18806 1
1130 . 1 1 108 108 ARG HB2 H 1 1.614 0.008 . 1 . 920 . . 108 ARG HB2 . 18806 1
1131 . 1 1 108 108 ARG HB3 H 1 1.614 0.008 . 1 . 921 . . 108 ARG HB3 . 18806 1
1132 . 1 1 108 108 ARG HG2 H 1 1.515 0.01 . 1 . 952 . . 108 ARG HG2 . 18806 1
1133 . 1 1 108 108 ARG HG3 H 1 1.515 0.01 . 1 . 953 . . 108 ARG HG3 . 18806 1
1134 . 1 1 108 108 ARG HD2 H 1 3.048 0.007 . 1 . 1177 . . 108 ARG HD2 . 18806 1
1135 . 1 1 108 108 ARG HD3 H 1 3.048 0.007 . 1 . 1178 . . 108 ARG HD3 . 18806 1
1136 . 1 1 108 108 ARG C C 13 178.341 . . 1 . 375 . . 108 ARG C . 18806 1
1137 . 1 1 108 108 ARG CA C 13 57.871 0.067 . 1 . 162 . . 108 ARG CA . 18806 1
1138 . 1 1 108 108 ARG CB C 13 29.759 0.041 . 1 . 163 . . 108 ARG CB . 18806 1
1139 . 1 1 108 108 ARG CG C 13 27.003 0.006 . 1 . 504 . . 108 ARG CG . 18806 1
1140 . 1 1 108 108 ARG CD C 13 43.062 0.065 . 1 . 505 . . 108 ARG CD . 18806 1
1141 . 1 1 108 108 ARG N N 15 117.784 0.052 . 1 . 161 . . 108 ARG N . 18806 1
1142 . 1 1 109 109 ILE H H 1 7.712 0.01 . 1 . 296 . . 109 ILE H . 18806 1
1143 . 1 1 109 109 ILE HA H 1 3.813 0.015 . 1 . 605 . . 109 ILE HA . 18806 1
1144 . 1 1 109 109 ILE HB H 1 1.548 0.013 . 1 . 604 . . 109 ILE HB . 18806 1
1145 . 1 1 109 109 ILE HG12 H 1 0.754 0.015 . 2 . 603 . . 109 ILE HG12 . 18806 1
1146 . 1 1 109 109 ILE HG13 H 1 0.815 0.015 . 2 . 602 . . 109 ILE HG13 . 18806 1
1147 . 1 1 109 109 ILE HG21 H 1 0.441 0.015 . 1 . 600 . . 109 ILE HG21 . 18806 1
1148 . 1 1 109 109 ILE HG22 H 1 0.441 0.015 . 1 . 600 . . 109 ILE HG22 . 18806 1
1149 . 1 1 109 109 ILE HG23 H 1 0.441 0.015 . 1 . 600 . . 109 ILE HG23 . 18806 1
1150 . 1 1 109 109 ILE HD11 H 1 0.526 0.013 . 1 . 601 . . 109 ILE HD11 . 18806 1
1151 . 1 1 109 109 ILE HD12 H 1 0.526 0.013 . 1 . 601 . . 109 ILE HD12 . 18806 1
1152 . 1 1 109 109 ILE HD13 H 1 0.526 0.013 . 1 . 601 . . 109 ILE HD13 . 18806 1
1153 . 1 1 109 109 ILE C C 13 176.877 . . 1 . 374 . . 109 ILE C . 18806 1
1154 . 1 1 109 109 ILE CA C 13 63.016 0.054 . 1 . 295 . . 109 ILE CA . 18806 1
1155 . 1 1 109 109 ILE CB C 13 37.442 0.052 . 1 . 294 . . 109 ILE CB . 18806 1
1156 . 1 1 109 109 ILE CG1 C 13 26.404 0.037 . 1 . 501 . . 109 ILE CG1 . 18806 1
1157 . 1 1 109 109 ILE CG2 C 13 16.582 0.078 . 1 . 502 . . 109 ILE CG2 . 18806 1
1158 . 1 1 109 109 ILE CD1 C 13 14.638 0.053 . 1 . 503 . . 109 ILE CD1 . 18806 1
1159 . 1 1 109 109 ILE N N 15 116.281 0.024 . 1 . 297 . . 109 ILE N . 18806 1
1160 . 1 1 110 110 HIS H H 1 7.299 0.008 . 1 . 292 . . 110 HIS H . 18806 1
1161 . 1 1 110 110 HIS HA H 1 4.476 0.015 . 1 . 897 . . 110 HIS HA . 18806 1
1162 . 1 1 110 110 HIS HB2 H 1 2.600 0.01 . 2 . 899 . . 110 HIS HB2 . 18806 1
1163 . 1 1 110 110 HIS HB3 H 1 2.481 0.002 . 2 . 898 . . 110 HIS HB3 . 18806 1
1164 . 1 1 110 110 HIS HD2 H 1 6.574 0.009 . 1 . 1229 . . 110 HIS HD2 . 18806 1
1165 . 1 1 110 110 HIS HE1 H 1 7.913 . . 1 . 1230 . . 110 HIS HE1 . 18806 1
1166 . 1 1 110 110 HIS C C 13 175.597 . . 1 . 373 . . 110 HIS C . 18806 1
1167 . 1 1 110 110 HIS CA C 13 55.290 0.016 . 1 . 262 . . 110 HIS CA . 18806 1
1168 . 1 1 110 110 HIS CB C 13 28.463 0.032 . 1 . 263 . . 110 HIS CB . 18806 1
1169 . 1 1 110 110 HIS CD2 C 13 131.677 0.047 . 1 . 1228 . . 110 HIS CD2 . 18806 1
1170 . 1 1 110 110 HIS N N 15 117.512 0.029 . 1 . 293 . . 110 HIS N . 18806 1
1171 . 1 1 111 111 THR H H 1 7.528 0.012 . 1 . 146 . . 111 THR H . 18806 1
1172 . 1 1 111 111 THR HA H 1 4.135 0.015 . 1 . 620 . . 111 THR HA . 18806 1
1173 . 1 1 111 111 THR HB H 1 4.176 0.014 . 1 . 621 . . 111 THR HB . 18806 1
1174 . 1 1 111 111 THR HG21 H 1 0.991 0.014 . 1 . 619 . . 111 THR HG21 . 18806 1
1175 . 1 1 111 111 THR HG22 H 1 0.991 0.014 . 1 . 619 . . 111 THR HG22 . 18806 1
1176 . 1 1 111 111 THR HG23 H 1 0.991 0.014 . 1 . 619 . . 111 THR HG23 . 18806 1
1177 . 1 1 111 111 THR C C 13 174.740 . . 1 . 372 . . 111 THR C . 18806 1
1178 . 1 1 111 111 THR CA C 13 62.068 0.059 . 1 . 148 . . 111 THR CA . 18806 1
1179 . 1 1 111 111 THR CB C 13 69.863 0.068 . 1 . 149 . . 111 THR CB . 18806 1
1180 . 1 1 111 111 THR CG2 C 13 21.179 0.058 . 1 . 500 . . 111 THR CG2 . 18806 1
1181 . 1 1 111 111 THR N N 15 109.948 0.055 . 1 . 147 . . 111 THR N . 18806 1
1182 . 1 1 112 112 GLY H H 1 7.878 0.009 . 1 . 144 . . 112 GLY H . 18806 1
1183 . 1 1 112 112 GLY HA2 H 1 3.751 0.011 . 2 . 880 . . 112 GLY HA2 . 18806 1
1184 . 1 1 112 112 GLY HA3 H 1 3.548 0.014 . 2 . 878 . . 112 GLY HA3 . 18806 1
1185 . 1 1 112 112 GLY CA C 13 46.168 0.065 . 1 . 879 . . 112 GLY CA . 18806 1
1186 . 1 1 112 112 GLY N N 15 117.415 0.04 . 1 . 145 . . 112 GLY N . 18806 1
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