###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
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 18586
_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 0.05
_Assigned_chem_shift_list.Chem_shift_13C_err 0.2
_Assigned_chem_shift_list.Chem_shift_15N_err 0.2
_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' 1 $sample-Miz8-10 isotropic 18586 1
2 '2D 1H-13C HSQC' 1 $sample-Miz8-10 isotropic 18586 1
3 '3D CBCA(CO)NH' 1 $sample-Miz8-10 isotropic 18586 1
4 '3D HNCACB' 1 $sample-Miz8-10 isotropic 18586 1
5 '3D HNCO' 1 $sample-Miz8-10 isotropic 18586 1
6 '3D C(CO)NH' 1 $sample-Miz8-10 isotropic 18586 1
7 '3D H(CCO)NH' 1 $sample-Miz8-10 isotropic 18586 1
8 '3D HCCH-TOCSY' 1 $sample-Miz8-10 isotropic 18586 1
9 '3D 1H-15N NOESY' 1 $sample-Miz8-10 isotropic 18586 1
10 '3D 1H-13C NOESY aliphatic' 1 $sample-Miz8-10 isotropic 18586 1
11 '3D 1H-13C NOESY aromatic' 1 $sample-Miz8-10 isotropic 18586 1
12 '3D HNHA' 1 $sample-Miz8-10 isotropic 18586 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 3 3 PRO HA H 1 4.187 0.013 . 1 . 779 . A 3 PRO HA . 18586 1
2 . 1 1 3 3 PRO HB2 H 1 1.233 0.003 . 2 . 796 . A 3 PRO HB2 . 18586 1
3 . 1 1 3 3 PRO HB3 H 1 1.904 0.011 . 2 . 795 . A 3 PRO HB3 . 18586 1
4 . 1 1 3 3 PRO HG2 H 1 1.551 0.009 . 2 . 783 . A 3 PRO HG2 . 18586 1
5 . 1 1 3 3 PRO HG3 H 1 1.743 0.028 . 2 . 782 . A 3 PRO HG3 . 18586 1
6 . 1 1 3 3 PRO HD2 H 1 3.596 0.006 . 2 . 781 . A 3 PRO HD2 . 18586 1
7 . 1 1 3 3 PRO HD3 H 1 3.667 0.022 . 2 . 780 . A 3 PRO HD3 . 18586 1
8 . 1 1 3 3 PRO C C 13 176.021 0.2 . 1 . 315 . A 3 PRO C . 18586 1
9 . 1 1 3 3 PRO CA C 13 63.467 0.033 . 1 . 67 . A 3 PRO CA . 18586 1
10 . 1 1 3 3 PRO CB C 13 32.306 0.069 . 1 . 68 . A 3 PRO CB . 18586 1
11 . 1 1 3 3 PRO CG C 13 26.582 0.016 . 1 . 392 . A 3 PRO CG . 18586 1
12 . 1 1 3 3 PRO CD C 13 49.929 0.034 . 1 . 391 . A 3 PRO CD . 18586 1
13 . 1 1 4 4 TYR H H 1 7.733 0.008 . 1 . 63 . A 4 TYR H . 18586 1
14 . 1 1 4 4 TYR HA H 1 4.500 0.011 . 1 . 469 . A 4 TYR HA . 18586 1
15 . 1 1 4 4 TYR HB2 H 1 2.734 0.011 . 2 . 624 . A 4 TYR HB2 . 18586 1
16 . 1 1 4 4 TYR HB3 H 1 2.861 0.004 . 2 . 623 . A 4 TYR HB3 . 18586 1
17 . 1 1 4 4 TYR HD1 H 1 6.878 0.009 . 3 . 859 . A 4 TYR HD1 . 18586 1
18 . 1 1 4 4 TYR HD2 H 1 6.878 0.009 . 3 . 859 . A 4 TYR HD2 . 18586 1
19 . 1 1 4 4 TYR C C 13 174.332 0.2 . 1 . 316 . A 4 TYR C . 18586 1
20 . 1 1 4 4 TYR CA C 13 57.954 0.034 . 1 . 65 . A 4 TYR CA . 18586 1
21 . 1 1 4 4 TYR CB C 13 38.475 0.034 . 1 . 66 . A 4 TYR CB . 18586 1
22 . 1 1 4 4 TYR CD1 C 13 136.107 0.009 . 3 . 868 . A 4 TYR CD1 . 18586 1
23 . 1 1 4 4 TYR CD2 C 13 136.107 0.009 . 3 . 868 . A 4 TYR CD2 . 18586 1
24 . 1 1 4 4 TYR N N 15 118.693 0.043 . 1 . 64 . A 4 TYR N . 18586 1
25 . 1 1 5 5 VAL H H 1 8.420 0.008 . 1 . 69 . A 5 VAL H . 18586 1
26 . 1 1 5 5 VAL HA H 1 4.634 0.009 . 1 . 470 . A 5 VAL HA . 18586 1
27 . 1 1 5 5 VAL HB H 1 1.712 0.011 . 1 . 625 . A 5 VAL HB . 18586 1
28 . 1 1 5 5 VAL HG11 H 1 0.640 0.011 . 2 . 627 . A 5 VAL HG11 . 18586 1
29 . 1 1 5 5 VAL HG12 H 1 0.640 0.011 . 2 . 627 . A 5 VAL HG12 . 18586 1
30 . 1 1 5 5 VAL HG13 H 1 0.640 0.011 . 2 . 627 . A 5 VAL HG13 . 18586 1
31 . 1 1 5 5 VAL HG21 H 1 0.653 0.012 . 2 . 626 . A 5 VAL HG21 . 18586 1
32 . 1 1 5 5 VAL HG22 H 1 0.653 0.012 . 2 . 626 . A 5 VAL HG22 . 18586 1
33 . 1 1 5 5 VAL HG23 H 1 0.653 0.012 . 2 . 626 . A 5 VAL HG23 . 18586 1
34 . 1 1 5 5 VAL C C 13 174.141 0.2 . 1 . 317 . A 5 VAL C . 18586 1
35 . 1 1 5 5 VAL CA C 13 60.269 0.012 . 1 . 71 . A 5 VAL CA . 18586 1
36 . 1 1 5 5 VAL CB C 13 34.830 0.027 . 1 . 72 . A 5 VAL CB . 18586 1
37 . 1 1 5 5 VAL CG1 C 13 20.921 0.2 . 1 . 708 . A 5 VAL CG1 . 18586 1
38 . 1 1 5 5 VAL CG2 C 13 20.921 0.2 . 1 . 709 . A 5 VAL CG2 . 18586 1
39 . 1 1 5 5 VAL N N 15 123.592 0.033 . 1 . 70 . A 5 VAL N . 18586 1
40 . 1 1 6 6 CYS H H 1 9.004 0.005 . 1 . 73 . A 6 CYS H . 18586 1
41 . 1 1 6 6 CYS HA H 1 4.486 0.015 . 1 . 471 . A 6 CYS HA . 18586 1
42 . 1 1 6 6 CYS HB2 H 1 2.747 0.016 . 1 . 713 . A 6 CYS HB2 . 18586 1
43 . 1 1 6 6 CYS HB3 H 1 3.281 0.015 . 1 . 712 . A 6 CYS HB3 . 18586 1
44 . 1 1 6 6 CYS C C 13 177.123 0.2 . 1 . 318 . A 6 CYS C . 18586 1
45 . 1 1 6 6 CYS CA C 13 59.271 0.045 . 1 . 75 . A 6 CYS CA . 18586 1
46 . 1 1 6 6 CYS CB C 13 29.754 0.045 . 1 . 76 . A 6 CYS CB . 18586 1
47 . 1 1 6 6 CYS N N 15 128.449 0.031 . 1 . 74 . A 6 CYS N . 18586 1
48 . 1 1 7 7 ILE H H 1 8.658 0.006 . 1 . 77 . A 7 ILE H . 18586 1
49 . 1 1 7 7 ILE HA H 1 3.929 0.015 . 1 . 472 . A 7 ILE HA . 18586 1
50 . 1 1 7 7 ILE HB H 1 1.710 0.009 . 1 . 549 . A 7 ILE HB . 18586 1
51 . 1 1 7 7 ILE HG12 H 1 0.968 0.007 . 1 . 555 . A 7 ILE HG12 . 18586 1
52 . 1 1 7 7 ILE HG13 H 1 0.968 0.007 . 1 . 554 . A 7 ILE HG13 . 18586 1
53 . 1 1 7 7 ILE HG21 H 1 0.658 0.007 . 1 . 552 . A 7 ILE HG21 . 18586 1
54 . 1 1 7 7 ILE HG22 H 1 0.658 0.007 . 1 . 552 . A 7 ILE HG22 . 18586 1
55 . 1 1 7 7 ILE HG23 H 1 0.658 0.007 . 1 . 552 . A 7 ILE HG23 . 18586 1
56 . 1 1 7 7 ILE HD11 H 1 0.597 0.004 . 1 . 553 . A 7 ILE HD11 . 18586 1
57 . 1 1 7 7 ILE HD12 H 1 0.597 0.004 . 1 . 553 . A 7 ILE HD12 . 18586 1
58 . 1 1 7 7 ILE HD13 H 1 0.597 0.004 . 1 . 553 . A 7 ILE HD13 . 18586 1
59 . 1 1 7 7 ILE C C 13 175.653 0.2 . 1 . 319 . A 7 ILE C . 18586 1
60 . 1 1 7 7 ILE CA C 13 63.258 0.023 . 1 . 79 . A 7 ILE CA . 18586 1
61 . 1 1 7 7 ILE CB C 13 37.975 0.06 . 1 . 80 . A 7 ILE CB . 18586 1
62 . 1 1 7 7 ILE CG1 C 13 26.684 0.059 . 1 . 395 . A 7 ILE CG1 . 18586 1
63 . 1 1 7 7 ILE CG2 C 13 17.445 0.056 . 1 . 396 . A 7 ILE CG2 . 18586 1
64 . 1 1 7 7 ILE CD1 C 13 13.836 0.09 . 1 . 397 . A 7 ILE CD1 . 18586 1
65 . 1 1 7 7 ILE N N 15 128.379 0.044 . 1 . 78 . A 7 ILE N . 18586 1
66 . 1 1 8 8 HIS H H 1 8.502 0.011 . 1 . 81 . A 8 HIS H . 18586 1
67 . 1 1 8 8 HIS HA H 1 4.238 0.017 . 1 . 473 . A 8 HIS HA . 18586 1
68 . 1 1 8 8 HIS HB2 H 1 1.802 0.011 . 1 . 629 . A 8 HIS HB2 . 18586 1
69 . 1 1 8 8 HIS HB3 H 1 2.231 0.015 . 1 . 628 . A 8 HIS HB3 . 18586 1
70 . 1 1 8 8 HIS C C 13 176.780 0.2 . 1 . 320 . A 8 HIS C . 18586 1
71 . 1 1 8 8 HIS CA C 13 57.836 0.054 . 1 . 83 . A 8 HIS CA . 18586 1
72 . 1 1 8 8 HIS CB C 13 29.345 0.03 . 1 . 84 . A 8 HIS CB . 18586 1
73 . 1 1 8 8 HIS N N 15 121.674 0.03 . 1 . 82 . A 8 HIS N . 18586 1
74 . 1 1 9 9 CYS H H 1 7.942 0.007 . 1 . 123 . A 9 CYS H . 18586 1
75 . 1 1 9 9 CYS HA H 1 5.041 0.018 . 1 . 474 . A 9 CYS HA . 18586 1
76 . 1 1 9 9 CYS HB2 H 1 2.745 0.012 . 2 . 690 . A 9 CYS HB2 . 18586 1
77 . 1 1 9 9 CYS HB3 H 1 3.346 0.014 . 2 . 689 . A 9 CYS HB3 . 18586 1
78 . 1 1 9 9 CYS C C 13 174.989 0.2 . 1 . 321 . A 9 CYS C . 18586 1
79 . 1 1 9 9 CYS CA C 13 58.494 0.016 . 1 . 125 . A 9 CYS CA . 18586 1
80 . 1 1 9 9 CYS CB C 13 32.209 0.03 . 1 . 126 . A 9 CYS CB . 18586 1
81 . 1 1 9 9 CYS N N 15 115.764 0.035 . 1 . 124 . A 9 CYS N . 18586 1
82 . 1 1 10 10 GLN H H 1 8.191 0.006 . 1 . 127 . A 10 GLN H . 18586 1
83 . 1 1 10 10 GLN HA H 1 3.880 0.015 . 1 . 475 . A 10 GLN HA . 18586 1
84 . 1 1 10 10 GLN HB2 H 1 2.189 0.003 . 2 . 633 . A 10 GLN HB2 . 18586 1
85 . 1 1 10 10 GLN HB3 H 1 2.333 0.003 . 2 . 632 . A 10 GLN HB3 . 18586 1
86 . 1 1 10 10 GLN HG2 H 1 2.115 0.013 . 1 . 630 . A 10 GLN HG2 . 18586 1
87 . 1 1 10 10 GLN HG3 H 1 2.115 0.013 . 1 . 631 . A 10 GLN HG3 . 18586 1
88 . 1 1 10 10 GLN HE21 H 1 6.363 0.004 . 1 . 847 . A 10 GLN HE21 . 18586 1
89 . 1 1 10 10 GLN HE22 H 1 7.092 0.003 . 1 . 846 . A 10 GLN HE22 . 18586 1
90 . 1 1 10 10 GLN C C 13 174.724 0.2 . 1 . 322 . A 10 GLN C . 18586 1
91 . 1 1 10 10 GLN CA C 13 58.438 0.035 . 1 . 129 . A 10 GLN CA . 18586 1
92 . 1 1 10 10 GLN CB C 13 25.356 0.013 . 1 . 130 . A 10 GLN CB . 18586 1
93 . 1 1 10 10 GLN CG C 13 34.322 0.035 . 1 . 398 . A 10 GLN CG . 18586 1
94 . 1 1 10 10 GLN N N 15 116.329 0.021 . 1 . 128 . A 10 GLN N . 18586 1
95 . 1 1 10 10 GLN NE2 N 15 111.990 0.022 . 1 . 848 . A 10 GLN NE2 . 18586 1
96 . 1 1 11 11 ARG H H 1 7.844 0.007 . 1 . 131 . A 11 ARG H . 18586 1
97 . 1 1 11 11 ARG HA H 1 3.935 0.013 . 1 . 476 . A 11 ARG HA . 18586 1
98 . 1 1 11 11 ARG HB2 H 1 1.219 0.015 . 2 . 637 . A 11 ARG HB2 . 18586 1
99 . 1 1 11 11 ARG HB3 H 1 1.383 0.008 . 2 . 636 . A 11 ARG HB3 . 18586 1
100 . 1 1 11 11 ARG HG2 H 1 1.724 0.011 . 1 . 873 . A 11 ARG HG2 . 18586 1
101 . 1 1 11 11 ARG HG3 H 1 1.724 0.011 . 1 . 874 . A 11 ARG HG3 . 18586 1
102 . 1 1 11 11 ARG HD2 H 1 2.789 0.007 . 2 . 806 . A 11 ARG HD2 . 18586 1
103 . 1 1 11 11 ARG HD3 H 1 3.001 0.011 . 2 . 634 . A 11 ARG HD3 . 18586 1
104 . 1 1 11 11 ARG C C 13 174.125 0.2 . 1 . 323 . A 11 ARG C . 18586 1
105 . 1 1 11 11 ARG CA C 13 57.912 0.025 . 1 . 133 . A 11 ARG CA . 18586 1
106 . 1 1 11 11 ARG CB C 13 31.307 0.048 . 1 . 134 . A 11 ARG CB . 18586 1
107 . 1 1 11 11 ARG CG C 13 28.383 0.2 . 1 . 400 . A 11 ARG CG . 18586 1
108 . 1 1 11 11 ARG CD C 13 43.622 0.2 . 1 . 399 . A 11 ARG CD . 18586 1
109 . 1 1 11 11 ARG N N 15 121.213 0.028 . 1 . 132 . A 11 ARG N . 18586 1
110 . 1 1 12 12 GLN H H 1 7.860 0.007 . 1 . 135 . A 12 GLN H . 18586 1
111 . 1 1 12 12 GLN HA H 1 4.856 0.014 . 1 . 477 . A 12 GLN HA . 18586 1
112 . 1 1 12 12 GLN HB2 H 1 1.630 0.013 . 2 . 591 . A 12 GLN HB2 . 18586 1
113 . 1 1 12 12 GLN HB3 H 1 1.758 0.005 . 2 . 590 . A 12 GLN HB3 . 18586 1
114 . 1 1 12 12 GLN HG2 H 1 2.031 0.01 . 2 . 589 . A 12 GLN HG2 . 18586 1
115 . 1 1 12 12 GLN HG3 H 1 2.255 0.016 . 2 . 588 . A 12 GLN HG3 . 18586 1
116 . 1 1 12 12 GLN HE21 H 1 6.637 0.008 . 1 . 850 . A 12 GLN HE21 . 18586 1
117 . 1 1 12 12 GLN HE22 H 1 7.488 0.003 . 1 . 849 . A 12 GLN HE22 . 18586 1
118 . 1 1 12 12 GLN C C 13 175.080 0.2 . 1 . 324 . A 12 GLN C . 18586 1
119 . 1 1 12 12 GLN CA C 13 54.345 0.059 . 1 . 137 . A 12 GLN CA . 18586 1
120 . 1 1 12 12 GLN CB C 13 31.148 0.069 . 1 . 138 . A 12 GLN CB . 18586 1
121 . 1 1 12 12 GLN CG C 13 33.754 0.048 . 1 . 401 . A 12 GLN CG . 18586 1
122 . 1 1 12 12 GLN N N 15 119.072 0.031 . 1 . 136 . A 12 GLN N . 18586 1
123 . 1 1 12 12 GLN NE2 N 15 111.271 0.003 . 1 . 851 . A 12 GLN NE2 . 18586 1
124 . 1 1 13 13 PHE H H 1 8.888 0.011 . 1 . 139 . A 13 PHE H . 18586 1
125 . 1 1 13 13 PHE HA H 1 4.487 0.003 . 1 . 478 . A 13 PHE HA . 18586 1
126 . 1 1 13 13 PHE HB2 H 1 2.566 0.015 . 1 . 808 . A 13 PHE HB2 . 18586 1
127 . 1 1 13 13 PHE HB3 H 1 3.133 0.012 . 1 . 807 . A 13 PHE HB3 . 18586 1
128 . 1 1 13 13 PHE HD1 H 1 7.031 0.002 . 3 . 860 . A 13 PHE HD1 . 18586 1
129 . 1 1 13 13 PHE HD2 H 1 7.031 0.002 . 3 . 860 . A 13 PHE HD2 . 18586 1
130 . 1 1 13 13 PHE C C 13 174.976 0.2 . 1 . 325 . A 13 PHE C . 18586 1
131 . 1 1 13 13 PHE CA C 13 57.278 0.019 . 1 . 141 . A 13 PHE CA . 18586 1
132 . 1 1 13 13 PHE CB C 13 43.350 0.034 . 1 . 192 . A 13 PHE CB . 18586 1
133 . 1 1 13 13 PHE CD1 C 13 135.106 0.013 . 3 . 862 . A 13 PHE CD1 . 18586 1
134 . 1 1 13 13 PHE CD2 C 13 135.106 0.013 . 3 . 862 . A 13 PHE CD2 . 18586 1
135 . 1 1 13 13 PHE N N 15 119.084 0.026 . 1 . 140 . A 13 PHE N . 18586 1
136 . 1 1 14 14 ALA H H 1 8.962 0.003 . 1 . 143 . A 14 ALA H . 18586 1
137 . 1 1 14 14 ALA HA H 1 4.432 0.014 . 1 . 609 . A 14 ALA HA . 18586 1
138 . 1 1 14 14 ALA HB1 H 1 1.444 0.01 . 1 . 610 . A 14 ALA HB1 . 18586 1
139 . 1 1 14 14 ALA HB2 H 1 1.444 0.01 . 1 . 610 . A 14 ALA HB2 . 18586 1
140 . 1 1 14 14 ALA HB3 H 1 1.444 0.01 . 1 . 610 . A 14 ALA HB3 . 18586 1
141 . 1 1 14 14 ALA C C 13 176.590 0.2 . 1 . 326 . A 14 ALA C . 18586 1
142 . 1 1 14 14 ALA CA C 13 53.149 0.044 . 1 . 145 . A 14 ALA CA . 18586 1
143 . 1 1 14 14 ALA CB C 13 19.805 0.029 . 1 . 146 . A 14 ALA CB . 18586 1
144 . 1 1 14 14 ALA N N 15 121.775 0.047 . 1 . 144 . A 14 ALA N . 18586 1
145 . 1 1 15 15 ASP H H 1 7.351 0.006 . 1 . 147 . A 15 ASP H . 18586 1
146 . 1 1 15 15 ASP HA H 1 4.737 0.02 . 1 . 479 . A 15 ASP HA . 18586 1
147 . 1 1 15 15 ASP HB2 H 1 2.565 0.014 . 2 . 601 . A 15 ASP HB2 . 18586 1
148 . 1 1 15 15 ASP HB3 H 1 2.690 0.013 . 2 . 600 . A 15 ASP HB3 . 18586 1
149 . 1 1 15 15 ASP CA C 13 51.230 0.058 . 1 . 149 . A 15 ASP CA . 18586 1
150 . 1 1 15 15 ASP CB C 13 42.660 0.014 . 1 . 150 . A 15 ASP CB . 18586 1
151 . 1 1 15 15 ASP N N 15 114.226 0.019 . 1 . 148 . A 15 ASP N . 18586 1
152 . 1 1 16 16 PRO HA H 1 3.446 0.005 . 1 . 560 . A 16 PRO HA . 18586 1
153 . 1 1 16 16 PRO HD2 H 1 3.075 0.01 . 2 . 810 . A 16 PRO HD2 . 18586 1
154 . 1 1 16 16 PRO HD3 H 1 3.614 0.063 . 2 . 809 . A 16 PRO HD3 . 18586 1
155 . 1 1 16 16 PRO C C 13 178.827 0.2 . 1 . 327 . A 16 PRO C . 18586 1
156 . 1 1 16 16 PRO CA C 13 64.165 0.026 . 1 . 91 . A 16 PRO CA . 18586 1
157 . 1 1 16 16 PRO CB C 13 31.085 0.022 . 1 . 92 . A 16 PRO CB . 18586 1
158 . 1 1 16 16 PRO CG C 13 26.784 0.2 . 1 . 402 . A 16 PRO CG . 18586 1
159 . 1 1 16 16 PRO CD C 13 49.894 0.036 . 1 . 403 . A 16 PRO CD . 18586 1
160 . 1 1 17 17 GLY H H 1 8.254 0.006 . 1 . 88 . A 17 GLY H . 18586 1
161 . 1 1 17 17 GLY HA2 H 1 3.639 0.019 . 1 . 480 . A 17 GLY HA2 . 18586 1
162 . 1 1 17 17 GLY HA3 H 1 3.639 0.019 . 1 . 481 . A 17 GLY HA3 . 18586 1
163 . 1 1 17 17 GLY C C 13 175.863 0.2 . 1 . 328 . A 17 GLY C . 18586 1
164 . 1 1 17 17 GLY CA C 13 46.690 0.027 . 1 . 90 . A 17 GLY CA . 18586 1
165 . 1 1 17 17 GLY N N 15 110.007 0.066 . 1 . 89 . A 17 GLY N . 18586 1
166 . 1 1 18 18 ALA H H 1 8.022 0.008 . 1 . 23 . A 18 ALA H . 18586 1
167 . 1 1 18 18 ALA HA H 1 3.841 0.022 . 1 . 482 . A 18 ALA HA . 18586 1
168 . 1 1 18 18 ALA HB1 H 1 1.497 0.011 . 1 . 608 . A 18 ALA HB1 . 18586 1
169 . 1 1 18 18 ALA HB2 H 1 1.497 0.011 . 1 . 608 . A 18 ALA HB2 . 18586 1
170 . 1 1 18 18 ALA HB3 H 1 1.497 0.011 . 1 . 608 . A 18 ALA HB3 . 18586 1
171 . 1 1 18 18 ALA C C 13 180.540 0.2 . 1 . 329 . A 18 ALA C . 18586 1
172 . 1 1 18 18 ALA CA C 13 54.562 0.027 . 1 . 25 . A 18 ALA CA . 18586 1
173 . 1 1 18 18 ALA CB C 13 18.794 0.027 . 1 . 26 . A 18 ALA CB . 18586 1
174 . 1 1 18 18 ALA N N 15 125.453 0.028 . 1 . 24 . A 18 ALA N . 18586 1
175 . 1 1 19 19 LEU H H 1 6.804 0.006 . 1 . 27 . A 19 LEU H . 18586 1
176 . 1 1 19 19 LEU HA H 1 3.013 0.013 . 1 . 483 . A 19 LEU HA . 18586 1
177 . 1 1 19 19 LEU HB2 H 1 1.039 0.006 . 1 . 644 . A 19 LEU HB2 . 18586 1
178 . 1 1 19 19 LEU HB3 H 1 1.731 0.011 . 1 . 643 . A 19 LEU HB3 . 18586 1
179 . 1 1 19 19 LEU HD11 H 1 0.791 0.011 . 2 . 844 . A 19 LEU HD11 . 18586 1
180 . 1 1 19 19 LEU HD12 H 1 0.791 0.011 . 2 . 844 . A 19 LEU HD12 . 18586 1
181 . 1 1 19 19 LEU HD13 H 1 0.791 0.011 . 2 . 844 . A 19 LEU HD13 . 18586 1
182 . 1 1 19 19 LEU HD21 H 1 0.879 0.023 . 2 . 843 . A 19 LEU HD21 . 18586 1
183 . 1 1 19 19 LEU HD22 H 1 0.879 0.023 . 2 . 843 . A 19 LEU HD22 . 18586 1
184 . 1 1 19 19 LEU HD23 H 1 0.879 0.023 . 2 . 843 . A 19 LEU HD23 . 18586 1
185 . 1 1 19 19 LEU C C 13 176.841 0.2 . 1 . 330 . A 19 LEU C . 18586 1
186 . 1 1 19 19 LEU CA C 13 57.723 0.029 . 1 . 29 . A 19 LEU CA . 18586 1
187 . 1 1 19 19 LEU CB C 13 40.447 0.06 . 1 . 30 . A 19 LEU CB . 18586 1
188 . 1 1 19 19 LEU CD1 C 13 23.328 0.2 . 1 . 404 . A 19 LEU CD1 . 18586 1
189 . 1 1 19 19 LEU CD2 C 13 23.328 0.2 . 1 . 642 . A 19 LEU CD2 . 18586 1
190 . 1 1 19 19 LEU N N 15 118.428 0.012 . 1 . 28 . A 19 LEU N . 18586 1
191 . 1 1 20 20 GLN H H 1 7.931 0.008 . 1 . 31 . A 20 GLN H . 18586 1
192 . 1 1 20 20 GLN HA H 1 3.790 0.014 . 1 . 484 . A 20 GLN HA . 18586 1
193 . 1 1 20 20 GLN HB2 H 1 2.027 0.014 . 2 . 648 . A 20 GLN HB2 . 18586 1
194 . 1 1 20 20 GLN HB3 H 1 2.045 0.013 . 2 . 647 . A 20 GLN HB3 . 18586 1
195 . 1 1 20 20 GLN HG2 H 1 2.210 0.002 . 2 . 646 . A 20 GLN HG2 . 18586 1
196 . 1 1 20 20 GLN HG3 H 1 2.288 0.004 . 2 . 645 . A 20 GLN HG3 . 18586 1
197 . 1 1 20 20 GLN C C 13 178.290 0.2 . 1 . 331 . A 20 GLN C . 18586 1
198 . 1 1 20 20 GLN CA C 13 58.675 0.009 . 1 . 33 . A 20 GLN CA . 18586 1
199 . 1 1 20 20 GLN CB C 13 27.969 0.006 . 1 . 34 . A 20 GLN CB . 18586 1
200 . 1 1 20 20 GLN CG C 13 33.427 0.022 . 1 . 405 . A 20 GLN CG . 18586 1
201 . 1 1 20 20 GLN N N 15 118.513 0.023 . 1 . 32 . A 20 GLN N . 18586 1
202 . 1 1 21 21 ARG H H 1 7.727 0.004 . 1 . 35 . A 21 ARG H . 18586 1
203 . 1 1 21 21 ARG HA H 1 3.822 0.011 . 1 . 485 . A 21 ARG HA . 18586 1
204 . 1 1 21 21 ARG HB2 H 1 1.661 0.006 . 2 . 814 . A 21 ARG HB2 . 18586 1
205 . 1 1 21 21 ARG HB3 H 1 1.720 0.004 . 2 . 813 . A 21 ARG HB3 . 18586 1
206 . 1 1 21 21 ARG HG2 H 1 1.360 0.008 . 1 . 876 . A 21 ARG HG2 . 18586 1
207 . 1 1 21 21 ARG HG3 H 1 1.360 0.008 . 1 . 875 . A 21 ARG HG3 . 18586 1
208 . 1 1 21 21 ARG HD2 H 1 3.010 0.003 . 2 . 812 . A 21 ARG HD2 . 18586 1
209 . 1 1 21 21 ARG HD3 H 1 3.154 0.004 . 2 . 811 . A 21 ARG HD3 . 18586 1
210 . 1 1 21 21 ARG C C 13 178.324 0.2 . 1 . 332 . A 21 ARG C . 18586 1
211 . 1 1 21 21 ARG CA C 13 58.956 0.09 . 1 . 37 . A 21 ARG CA . 18586 1
212 . 1 1 21 21 ARG CB C 13 30.353 0.003 . 1 . 38 . A 21 ARG CB . 18586 1
213 . 1 1 21 21 ARG CG C 13 28.086 0.0 . 1 . 407 . A 21 ARG CG . 18586 1
214 . 1 1 21 21 ARG CD C 13 43.232 0.012 . 1 . 406 . A 21 ARG CD . 18586 1
215 . 1 1 21 21 ARG N N 15 116.497 0.045 . 1 . 36 . A 21 ARG N . 18586 1
216 . 1 1 22 22 HIS H H 1 7.374 0.008 . 1 . 172 . A 22 HIS H . 18586 1
217 . 1 1 22 22 HIS HA H 1 4.131 0.016 . 1 . 486 . A 22 HIS HA . 18586 1
218 . 1 1 22 22 HIS HB2 H 1 2.723 0.014 . 1 . 650 . A 22 HIS HB2 . 18586 1
219 . 1 1 22 22 HIS HB3 H 1 2.911 0.011 . 1 . 649 . A 22 HIS HB3 . 18586 1
220 . 1 1 22 22 HIS HD2 H 1 6.848 0.008 . 1 . 837 . A 22 HIS HD2 . 18586 1
221 . 1 1 22 22 HIS C C 13 176.672 0.2 . 1 . 333 . A 22 HIS C . 18586 1
222 . 1 1 22 22 HIS CA C 13 59.068 0.032 . 1 . 174 . A 22 HIS CA . 18586 1
223 . 1 1 22 22 HIS CB C 13 28.490 0.025 . 1 . 175 . A 22 HIS CB . 18586 1
224 . 1 1 22 22 HIS CD2 C 13 130.313 0.0 . 1 . 836 . A 22 HIS CD2 . 18586 1
225 . 1 1 22 22 HIS N N 15 118.228 0.022 . 1 . 173 . A 22 HIS N . 18586 1
226 . 1 1 23 23 VAL H H 1 8.270 0.007 . 1 . 1 . A 23 VAL H . 18586 1
227 . 1 1 23 23 VAL HA H 1 3.494 0.018 . 1 . 653 . A 23 VAL HA . 18586 1
228 . 1 1 23 23 VAL HB H 1 2.243 0.012 . 1 . 654 . A 23 VAL HB . 18586 1
229 . 1 1 23 23 VAL HG11 H 1 1.232 0.009 . 1 . 656 . A 23 VAL HG11 . 18586 1
230 . 1 1 23 23 VAL HG12 H 1 1.232 0.009 . 1 . 656 . A 23 VAL HG12 . 18586 1
231 . 1 1 23 23 VAL HG13 H 1 1.232 0.009 . 1 . 656 . A 23 VAL HG13 . 18586 1
232 . 1 1 23 23 VAL HG21 H 1 1.232 0.009 . 1 . 655 . A 23 VAL HG21 . 18586 1
233 . 1 1 23 23 VAL HG22 H 1 1.232 0.009 . 1 . 655 . A 23 VAL HG22 . 18586 1
234 . 1 1 23 23 VAL HG23 H 1 1.232 0.009 . 1 . 655 . A 23 VAL HG23 . 18586 1
235 . 1 1 23 23 VAL C C 13 176.856 0.2 . 1 . 334 . A 23 VAL C . 18586 1
236 . 1 1 23 23 VAL CA C 13 65.990 0.054 . 1 . 3 . A 23 VAL CA . 18586 1
237 . 1 1 23 23 VAL CB C 13 31.834 0.06 . 1 . 4 . A 23 VAL CB . 18586 1
238 . 1 1 23 23 VAL CG1 C 13 21.940 0.03 . 1 . 651 . A 23 VAL CG1 . 18586 1
239 . 1 1 23 23 VAL CG2 C 13 21.940 0.03 . 1 . 652 . A 23 VAL CG2 . 18586 1
240 . 1 1 23 23 VAL N N 15 114.222 0.038 . 1 . 2 . A 23 VAL N . 18586 1
241 . 1 1 24 24 ARG H H 1 6.764 0.01 . 1 . 5 . A 24 ARG H . 18586 1
242 . 1 1 24 24 ARG HA H 1 3.974 0.005 . 1 . 488 . A 24 ARG HA . 18586 1
243 . 1 1 24 24 ARG HB2 H 1 1.741 0.0 . 1 . 879 . A 24 ARG HB2 . 18586 1
244 . 1 1 24 24 ARG HB3 H 1 1.741 0.0 . 1 . 880 . A 24 ARG HB3 . 18586 1
245 . 1 1 24 24 ARG HG2 H 1 1.550 0.003 . 2 . 882 . A 24 ARG HG2 . 18586 1
246 . 1 1 24 24 ARG HG3 H 1 1.655 0.003 . 2 . 881 . A 24 ARG HG3 . 18586 1
247 . 1 1 24 24 ARG HD2 H 1 3.061 0.006 . 1 . 877 . A 24 ARG HD2 . 18586 1
248 . 1 1 24 24 ARG HD3 H 1 3.067 0.002 . 1 . 878 . A 24 ARG HD3 . 18586 1
249 . 1 1 24 24 ARG C C 13 178.102 0.2 . 1 . 335 . A 24 ARG C . 18586 1
250 . 1 1 24 24 ARG CA C 13 57.940 0.0 . 1 . 7 . A 24 ARG CA . 18586 1
251 . 1 1 24 24 ARG CB C 13 29.865 0.005 . 1 . 8 . A 24 ARG CB . 18586 1
252 . 1 1 24 24 ARG CG C 13 27.154 0.0 . 1 . 411 . A 24 ARG CG . 18586 1
253 . 1 1 24 24 ARG CD C 13 43.555 0.2 . 1 . 410 . A 24 ARG CD . 18586 1
254 . 1 1 24 24 ARG N N 15 118.135 0.046 . 1 . 6 . A 24 ARG N . 18586 1
255 . 1 1 25 25 ILE H H 1 7.682 0.009 . 1 . 9 . A 25 ILE H . 18586 1
256 . 1 1 25 25 ILE HA H 1 3.844 0.011 . 1 . 489 . A 25 ILE HA . 18586 1
257 . 1 1 25 25 ILE HB H 1 1.589 0.009 . 1 . 602 . A 25 ILE HB . 18586 1
258 . 1 1 25 25 ILE HG12 H 1 0.763 0.018 . 1 . 604 . A 25 ILE HG12 . 18586 1
259 . 1 1 25 25 ILE HG13 H 1 0.763 0.018 . 1 . 603 . A 25 ILE HG13 . 18586 1
260 . 1 1 25 25 ILE HG21 H 1 0.455 0.005 . 1 . 606 . A 25 ILE HG21 . 18586 1
261 . 1 1 25 25 ILE HG22 H 1 0.455 0.005 . 1 . 606 . A 25 ILE HG22 . 18586 1
262 . 1 1 25 25 ILE HG23 H 1 0.455 0.005 . 1 . 606 . A 25 ILE HG23 . 18586 1
263 . 1 1 25 25 ILE HD11 H 1 0.544 0.006 . 1 . 607 . A 25 ILE HD11 . 18586 1
264 . 1 1 25 25 ILE HD12 H 1 0.544 0.006 . 1 . 607 . A 25 ILE HD12 . 18586 1
265 . 1 1 25 25 ILE HD13 H 1 0.544 0.006 . 1 . 607 . A 25 ILE HD13 . 18586 1
266 . 1 1 25 25 ILE C C 13 177.015 0.2 . 1 . 336 . A 25 ILE C . 18586 1
267 . 1 1 25 25 ILE CA C 13 62.939 0.017 . 1 . 11 . A 25 ILE CA . 18586 1
268 . 1 1 25 25 ILE CB C 13 37.491 0.025 . 1 . 12 . A 25 ILE CB . 18586 1
269 . 1 1 25 25 ILE CG1 C 13 26.244 0.058 . 1 . 412 . A 25 ILE CG1 . 18586 1
270 . 1 1 25 25 ILE CG2 C 13 16.211 0.044 . 1 . 413 . A 25 ILE CG2 . 18586 1
271 . 1 1 25 25 ILE CD1 C 13 14.433 0.014 . 1 . 414 . A 25 ILE CD1 . 18586 1
272 . 1 1 25 25 ILE N N 15 115.964 0.027 . 1 . 10 . A 25 ILE N . 18586 1
273 . 1 1 26 26 HIS H H 1 7.282 0.009 . 1 . 13 . A 26 HIS H . 18586 1
274 . 1 1 26 26 HIS HA H 1 4.551 0.01 . 1 . 490 . A 26 HIS HA . 18586 1
275 . 1 1 26 26 HIS HB2 H 1 2.524 0.007 . 2 . 658 . A 26 HIS HB2 . 18586 1
276 . 1 1 26 26 HIS HB3 H 1 2.624 0.011 . 2 . 657 . A 26 HIS HB3 . 18586 1
277 . 1 1 26 26 HIS HD2 H 1 6.570 0.006 . 1 . 855 . A 26 HIS HD2 . 18586 1
278 . 1 1 26 26 HIS HE1 H 1 7.930 0.006 . 1 . 835 . A 26 HIS HE1 . 18586 1
279 . 1 1 26 26 HIS C C 13 175.472 0.2 . 1 . 337 . A 26 HIS C . 18586 1
280 . 1 1 26 26 HIS CA C 13 55.107 0.077 . 1 . 15 . A 26 HIS CA . 18586 1
281 . 1 1 26 26 HIS CB C 13 27.955 0.062 . 1 . 16 . A 26 HIS CB . 18586 1
282 . 1 1 26 26 HIS CD2 C 13 131.261 0.018 . 1 . 854 . A 26 HIS CD2 . 18586 1
283 . 1 1 26 26 HIS CE1 C 13 142.684 0.2 . 1 . 834 . A 26 HIS CE1 . 18586 1
284 . 1 1 26 26 HIS N N 15 117.871 0.051 . 1 . 14 . A 26 HIS N . 18586 1
285 . 1 1 27 27 THR H H 1 7.534 0.014 . 1 . 17 . A 27 THR H . 18586 1
286 . 1 1 27 27 THR HA H 1 4.125 0.018 . 1 . 491 . A 27 THR HA . 18586 1
287 . 1 1 27 27 THR HB H 1 4.156 0.007 . 1 . 618 . A 27 THR HB . 18586 1
288 . 1 1 27 27 THR HG21 H 1 1.069 0.019 . 1 . 620 . A 27 THR HG21 . 18586 1
289 . 1 1 27 27 THR HG22 H 1 1.069 0.019 . 1 . 620 . A 27 THR HG22 . 18586 1
290 . 1 1 27 27 THR HG23 H 1 1.069 0.019 . 1 . 620 . A 27 THR HG23 . 18586 1
291 . 1 1 27 27 THR C C 13 175.062 0.2 . 1 . 338 . A 27 THR C . 18586 1
292 . 1 1 27 27 THR CA C 13 62.725 0.038 . 1 . 19 . A 27 THR CA . 18586 1
293 . 1 1 27 27 THR CB C 13 69.495 0.054 . 1 . 20 . A 27 THR CB . 18586 1
294 . 1 1 27 27 THR N N 15 112.240 0.029 . 1 . 18 . A 27 THR N . 18586 1
295 . 1 1 28 28 GLY H H 1 8.112 0.011 . 1 . 273 . A 28 GLY H . 18586 1
296 . 1 1 28 28 GLY HA2 H 1 3.879 0.007 . 2 . 754 . A 28 GLY HA2 . 18586 1
297 . 1 1 28 28 GLY HA3 H 1 3.813 0.003 . 2 . 753 . A 28 GLY HA3 . 18586 1
298 . 1 1 28 28 GLY C C 13 173.918 0.2 . 1 . 339 . A 28 GLY C . 18586 1
299 . 1 1 28 28 GLY CA C 13 45.243 0.046 . 1 . 275 . A 28 GLY CA . 18586 1
300 . 1 1 28 28 GLY N N 15 110.227 0.029 . 1 . 274 . A 28 GLY N . 18586 1
301 . 1 1 29 29 GLU H H 1 7.885 0.003 . 1 . 265 . A 29 GLU H . 18586 1
302 . 1 1 29 29 GLU HA H 1 4.048 0.015 . 1 . 494 . A 29 GLU HA . 18586 1
303 . 1 1 29 29 GLU HB2 H 1 1.842 0.018 . 2 . 660 . A 29 GLU HB2 . 18586 1
304 . 1 1 29 29 GLU HB3 H 1 1.893 0.004 . 2 . 659 . A 29 GLU HB3 . 18586 1
305 . 1 1 29 29 GLU HG2 H 1 2.169 0.006 . 2 . 662 . A 29 GLU HG2 . 18586 1
306 . 1 1 29 29 GLU HG3 H 1 2.115 0.01 . 2 . 661 . A 29 GLU HG3 . 18586 1
307 . 1 1 29 29 GLU C C 13 176.166 0.2 . 1 . 340 . A 29 GLU C . 18586 1
308 . 1 1 29 29 GLU CA C 13 56.901 0.02 . 1 . 267 . A 29 GLU CA . 18586 1
309 . 1 1 29 29 GLU CB C 13 30.255 0.05 . 1 . 268 . A 29 GLU CB . 18586 1
310 . 1 1 29 29 GLU CG C 13 36.152 0.019 . 1 . 415 . A 29 GLU CG . 18586 1
311 . 1 1 29 29 GLU N N 15 119.771 0.041 . 1 . 266 . A 29 GLU N . 18586 1
312 . 1 1 30 30 LYS H H 1 8.075 0.003 . 1 . 276 . A 30 LYS H . 18586 1
313 . 1 1 30 30 LYS HA H 1 4.455 0.021 . 1 . 496 . A 30 LYS HA . 18586 1
314 . 1 1 30 30 LYS CA C 13 53.768 0.2 . 1 . 278 . A 30 LYS CA . 18586 1
315 . 1 1 30 30 LYS CB C 13 33.520 0.2 . 1 . 279 . A 30 LYS CB . 18586 1
316 . 1 1 30 30 LYS N N 15 120.594 0.045 . 1 . 277 . A 30 LYS N . 18586 1
317 . 1 1 31 31 PRO HA H 1 4.401 0.008 . 1 . 786 . . 31 PRO HA . 18586 1
318 . 1 1 31 31 PRO HB2 H 1 2.123 0.006 . 2 . 790 . . 31 PRO HB2 . 18586 1
319 . 1 1 31 31 PRO HB3 H 1 2.081 0.009 . 2 . 789 . . 31 PRO HB3 . 18586 1
320 . 1 1 31 31 PRO HG2 H 1 1.839 0.004 . 2 . 792 . . 31 PRO HG2 . 18586 1
321 . 1 1 31 31 PRO HG3 H 1 1.901 0.01 . 2 . 791 . . 31 PRO HG3 . 18586 1
322 . 1 1 31 31 PRO HD2 H 1 3.568 0.013 . 2 . 788 . . 31 PRO HD2 . 18586 1
323 . 1 1 31 31 PRO HD3 H 1 3.620 0.022 . 2 . 787 . . 31 PRO HD3 . 18586 1
324 . 1 1 31 31 PRO C C 13 176.585 0.2 . 1 . 341 . . 31 PRO C . 18586 1
325 . 1 1 31 31 PRO CA C 13 63.434 0.063 . 1 . 284 . . 31 PRO CA . 18586 1
326 . 1 1 31 31 PRO CB C 13 32.293 0.025 . 1 . 285 . . 31 PRO CB . 18586 1
327 . 1 1 31 31 PRO CG C 13 26.643 0.002 . 1 . 416 . . 31 PRO CG . 18586 1
328 . 1 1 32 32 CYS H H 1 8.356 0.007 . 1 . 280 . . 32 CYS H . 18586 1
329 . 1 1 32 32 CYS HA H 1 4.514 0.05 . 1 . 497 . . 32 CYS HA . 18586 1
330 . 1 1 32 32 CYS C C 13 173.747 0.2 . 1 . 342 . . 32 CYS C . 18586 1
331 . 1 1 32 32 CYS CA C 13 57.325 0.07 . 1 . 282 . . 32 CYS CA . 18586 1
332 . 1 1 32 32 CYS CB C 13 35.049 0.2 . 1 . 283 . . 32 CYS CB . 18586 1
333 . 1 1 32 32 CYS N N 15 117.577 0.046 . 1 . 281 . . 32 CYS N . 18586 1
334 . 1 1 33 33 GLN H H 1 8.372 0.01 . 1 . 286 . . 33 GLN H . 18586 1
335 . 1 1 33 33 GLN HA H 1 5.021 0.011 . 1 . 675 . . 33 GLN HA . 18586 1
336 . 1 1 33 33 GLN HB2 H 1 1.656 0.008 . 2 . 683 . . 33 GLN HB2 . 18586 1
337 . 1 1 33 33 GLN HB3 H 1 1.714 0.006 . 2 . 680 . . 33 GLN HB3 . 18586 1
338 . 1 1 33 33 GLN HG2 H 1 1.912 0.016 . 1 . 681 . . 33 GLN HG2 . 18586 1
339 . 1 1 33 33 GLN HG3 H 1 1.912 0.016 . 1 . 682 . . 33 GLN HG3 . 18586 1
340 . 1 1 33 33 GLN C C 13 175.002 0.2 . 1 . 343 . . 33 GLN C . 18586 1
341 . 1 1 33 33 GLN CA C 13 54.101 0.038 . 1 . 288 . . 33 GLN CA . 18586 1
342 . 1 1 33 33 GLN CB C 13 32.361 0.05 . 1 . 289 . . 33 GLN CB . 18586 1
343 . 1 1 33 33 GLN CG C 13 33.837 0.2 . 1 . 417 . . 33 GLN CG . 18586 1
344 . 1 1 33 33 GLN N N 15 120.137 0.023 . 1 . 287 . . 33 GLN N . 18586 1
345 . 1 1 34 34 CYS H H 1 8.993 0.008 . 1 . 290 . . 34 CYS H . 18586 1
346 . 1 1 34 34 CYS HA H 1 4.425 0.007 . 1 . 498 . . 34 CYS HA . 18586 1
347 . 1 1 34 34 CYS HB2 H 1 2.783 0.014 . 1 . 685 . . 34 CYS HB2 . 18586 1
348 . 1 1 34 34 CYS HB3 H 1 3.272 0.013 . 1 . 684 . . 34 CYS HB3 . 18586 1
349 . 1 1 34 34 CYS C C 13 178.038 0.2 . 1 . 344 . . 34 CYS C . 18586 1
350 . 1 1 34 34 CYS CA C 13 59.220 0.045 . 1 . 292 . . 34 CYS CA . 18586 1
351 . 1 1 34 34 CYS CB C 13 29.956 0.033 . 1 . 293 . . 34 CYS CB . 18586 1
352 . 1 1 34 34 CYS N N 15 126.003 0.054 . 1 . 291 . . 34 CYS N . 18586 1
353 . 1 1 35 35 VAL H H 1 9.010 0.013 . 1 . 294 . . 35 VAL H . 18586 1
354 . 1 1 35 35 VAL HA H 1 3.971 0.02 . 1 . 825 . . 35 VAL HA . 18586 1
355 . 1 1 35 35 VAL HB H 1 2.185 0.025 . 1 . 826 . . 35 VAL HB . 18586 1
356 . 1 1 35 35 VAL HG11 H 1 0.925 0.014 . 1 . 828 . . 35 VAL HG11 . 18586 1
357 . 1 1 35 35 VAL HG12 H 1 0.925 0.014 . 1 . 828 . . 35 VAL HG12 . 18586 1
358 . 1 1 35 35 VAL HG13 H 1 0.925 0.014 . 1 . 828 . . 35 VAL HG13 . 18586 1
359 . 1 1 35 35 VAL HG21 H 1 0.928 0.012 . 1 . 827 . . 35 VAL HG21 . 18586 1
360 . 1 1 35 35 VAL HG22 H 1 0.928 0.012 . 1 . 827 . . 35 VAL HG22 . 18586 1
361 . 1 1 35 35 VAL HG23 H 1 0.928 0.012 . 1 . 827 . . 35 VAL HG23 . 18586 1
362 . 1 1 35 35 VAL C C 13 176.030 0.2 . 1 . 345 . . 35 VAL C . 18586 1
363 . 1 1 35 35 VAL CA C 13 64.030 0.051 . 1 . 296 . . 35 VAL CA . 18586 1
364 . 1 1 35 35 VAL CB C 13 31.734 0.068 . 1 . 297 . . 35 VAL CB . 18586 1
365 . 1 1 35 35 VAL CG1 C 13 20.386 0.007 . 1 . 423 . . 35 VAL CG1 . 18586 1
366 . 1 1 35 35 VAL CG2 C 13 20.386 0.007 . 1 . 422 . . 35 VAL CG2 . 18586 1
367 . 1 1 35 35 VAL N N 15 129.398 0.04 . 1 . 295 . . 35 VAL N . 18586 1
368 . 1 1 36 36 MET H H 1 8.726 0.007 . 1 . 299 . . 36 MET H . 18586 1
369 . 1 1 36 36 MET HA H 1 4.215 0.031 . 1 . 500 . . 36 MET HA . 18586 1
370 . 1 1 36 36 MET HB2 H 1 2.170 0.015 . 1 . 883 . . 36 MET HB2 . 18586 1
371 . 1 1 36 36 MET HB3 H 1 2.170 0.015 . 1 . 884 . . 36 MET HB3 . 18586 1
372 . 1 1 36 36 MET HG2 H 1 2.208 0.001 . 1 . 885 . . 36 MET HG2 . 18586 1
373 . 1 1 36 36 MET HG3 H 1 2.208 0.001 . 1 . 886 . . 36 MET HG3 . 18586 1
374 . 1 1 36 36 MET C C 13 176.951 0.2 . 1 . 346 . . 36 MET C . 18586 1
375 . 1 1 36 36 MET CA C 13 57.631 0.057 . 1 . 300 . . 36 MET CA . 18586 1
376 . 1 1 36 36 MET CB C 13 32.113 0.066 . 1 . 301 . . 36 MET CB . 18586 1
377 . 1 1 36 36 MET CG C 13 30.113 0.2 . 1 . 424 . . 36 MET CG . 18586 1
378 . 1 1 36 36 MET N N 15 120.946 0.056 . 1 . 298 . . 36 MET N . 18586 1
379 . 1 1 37 37 CYS H H 1 8.038 0.012 . 1 . 302 . . 37 CYS H . 18586 1
380 . 1 1 37 37 CYS HA H 1 5.064 0.008 . 1 . 501 . . 37 CYS HA . 18586 1
381 . 1 1 37 37 CYS HB2 H 1 2.756 0.011 . 1 . 691 . . 37 CYS HB2 . 18586 1
382 . 1 1 37 37 CYS HB3 H 1 3.348 0.013 . 1 . 688 . . 37 CYS HB3 . 18586 1
383 . 1 1 37 37 CYS C C 13 175.989 0.2 . 1 . 347 . . 37 CYS C . 18586 1
384 . 1 1 37 37 CYS CA C 13 58.484 0.023 . 1 . 304 . . 37 CYS CA . 18586 1
385 . 1 1 37 37 CYS CB C 13 32.235 0.053 . 1 . 305 . . 37 CYS CB . 18586 1
386 . 1 1 37 37 CYS N N 15 115.594 0.05 . 1 . 303 . . 37 CYS N . 18586 1
387 . 1 1 38 38 GLY H H 1 8.119 0.007 . 1 . 306 . . 38 GLY H . 18586 1
388 . 1 1 38 38 GLY HA2 H 1 3.680 0.017 . 2 . 639 . . 38 GLY HA2 . 18586 1
389 . 1 1 38 38 GLY HA3 H 1 4.156 0.016 . 2 . 503 . . 38 GLY HA3 . 18586 1
390 . 1 1 38 38 GLY C C 13 173.535 0.2 . 1 . 348 . . 38 GLY C . 18586 1
391 . 1 1 38 38 GLY CA C 13 45.994 0.03 . 1 . 308 . . 38 GLY CA . 18586 1
392 . 1 1 38 38 GLY N N 15 113.363 0.031 . 1 . 307 . . 38 GLY N . 18586 1
393 . 1 1 39 39 LYS H H 1 7.877 0.005 . 1 . 156 . . 39 LYS H . 18586 1
394 . 1 1 39 39 LYS HA H 1 3.831 0.006 . 1 . 504 . . 39 LYS HA . 18586 1
395 . 1 1 39 39 LYS HB2 H 1 1.130 0.005 . 2 . 892 . . 39 LYS HB2 . 18586 1
396 . 1 1 39 39 LYS HB3 H 1 1.482 0.003 . 2 . 891 . . 39 LYS HB3 . 18586 1
397 . 1 1 39 39 LYS HG2 H 1 0.835 0.007 . 2 . 888 . . 39 LYS HG2 . 18586 1
398 . 1 1 39 39 LYS HG3 H 1 1.208 0.002 . 2 . 887 . . 39 LYS HG3 . 18586 1
399 . 1 1 39 39 LYS HD2 H 1 1.243 0.003 . 2 . 894 . . 39 LYS HD2 . 18586 1
400 . 1 1 39 39 LYS HD3 H 1 1.395 0.01 . 2 . 893 . . 39 LYS HD3 . 18586 1
401 . 1 1 39 39 LYS HE2 H 1 2.709 0.002 . 2 . 890 . . 39 LYS HE2 . 18586 1
402 . 1 1 39 39 LYS HE3 H 1 2.796 0.021 . 2 . 820 . . 39 LYS HE3 . 18586 1
403 . 1 1 39 39 LYS C C 13 173.961 0.2 . 1 . 349 . . 39 LYS C . 18586 1
404 . 1 1 39 39 LYS CA C 13 58.248 0.036 . 1 . 158 . . 39 LYS CA . 18586 1
405 . 1 1 39 39 LYS CB C 13 33.551 0.002 . 1 . 159 . . 39 LYS CB . 18586 1
406 . 1 1 39 39 LYS CG C 13 25.737 0.2 . 1 . 429 . . 39 LYS CG . 18586 1
407 . 1 1 39 39 LYS CD C 13 29.114 0.0 . 1 . 428 . . 39 LYS CD . 18586 1
408 . 1 1 39 39 LYS CE C 13 42.282 0.0 . 1 . 427 . . 39 LYS CE . 18586 1
409 . 1 1 39 39 LYS N N 15 123.490 0.03 . 1 . 157 . . 39 LYS N . 18586 1
410 . 1 1 40 40 ALA H H 1 7.890 0.005 . 1 . 160 . . 40 ALA H . 18586 1
411 . 1 1 40 40 ALA HA H 1 4.868 0.023 . 1 . 505 . . 40 ALA HA . 18586 1
412 . 1 1 40 40 ALA HB1 H 1 1.116 0.009 . 1 . 599 . . 40 ALA HB1 . 18586 1
413 . 1 1 40 40 ALA HB2 H 1 1.116 0.009 . 1 . 599 . . 40 ALA HB2 . 18586 1
414 . 1 1 40 40 ALA HB3 H 1 1.116 0.009 . 1 . 599 . . 40 ALA HB3 . 18586 1
415 . 1 1 40 40 ALA C C 13 176.533 0.2 . 1 . 350 . . 40 ALA C . 18586 1
416 . 1 1 40 40 ALA CA C 13 50.845 0.053 . 1 . 162 . . 40 ALA CA . 18586 1
417 . 1 1 40 40 ALA CB C 13 21.180 0.063 . 1 . 163 . . 40 ALA CB . 18586 1
418 . 1 1 40 40 ALA N N 15 125.467 0.039 . 1 . 161 . . 40 ALA N . 18586 1
419 . 1 1 41 41 PHE H H 1 8.342 0.006 . 1 . 164 . . 41 PHE H . 18586 1
420 . 1 1 41 41 PHE HA H 1 4.538 0.012 . 1 . 506 . . 41 PHE HA . 18586 1
421 . 1 1 41 41 PHE HB2 H 1 2.497 0.014 . 1 . 822 . . 41 PHE HB2 . 18586 1
422 . 1 1 41 41 PHE HB3 H 1 3.110 0.017 . 1 . 821 . . 41 PHE HB3 . 18586 1
423 . 1 1 41 41 PHE HD1 H 1 7.032 0.003 . 3 . 861 . . 41 PHE HD1 . 18586 1
424 . 1 1 41 41 PHE HD2 H 1 7.032 0.003 . 3 . 861 . . 41 PHE HD2 . 18586 1
425 . 1 1 41 41 PHE C C 13 174.934 0.2 . 1 . 351 . . 41 PHE C . 18586 1
426 . 1 1 41 41 PHE CA C 13 57.395 0.015 . 1 . 166 . . 41 PHE CA . 18586 1
427 . 1 1 41 41 PHE CB C 13 44.113 0.039 . 1 . 167 . . 41 PHE CB . 18586 1
428 . 1 1 41 41 PHE CD1 C 13 135.325 0.029 . 3 . 863 . . 41 PHE CD1 . 18586 1
429 . 1 1 41 41 PHE CD2 C 13 135.325 0.029 . 3 . 863 . . 41 PHE CD2 . 18586 1
430 . 1 1 41 41 PHE N N 15 117.232 0.03 . 1 . 165 . . 41 PHE N . 18586 1
431 . 1 1 42 42 THR H H 1 8.732 0.005 . 1 . 151 . . 42 THR H . 18586 1
432 . 1 1 42 42 THR HA H 1 4.420 0.004 . 1 . 612 . . 42 THR HA . 18586 1
433 . 1 1 42 42 THR HB H 1 4.331 0.009 . 1 . 615 . . 42 THR HB . 18586 1
434 . 1 1 42 42 THR HG21 H 1 1.079 0.011 . 1 . 616 . . 42 THR HG21 . 18586 1
435 . 1 1 42 42 THR HG22 H 1 1.079 0.011 . 1 . 616 . . 42 THR HG22 . 18586 1
436 . 1 1 42 42 THR HG23 H 1 1.079 0.011 . 1 . 616 . . 42 THR HG23 . 18586 1
437 . 1 1 42 42 THR C C 13 174.386 0.2 . 1 . 352 . . 42 THR C . 18586 1
438 . 1 1 42 42 THR CA C 13 62.005 0.074 . 1 . 155 . . 42 THR CA . 18586 1
439 . 1 1 42 42 THR CB C 13 69.488 0.083 . 1 . 154 . . 42 THR CB . 18586 1
440 . 1 1 42 42 THR CG2 C 13 22.213 0.2 . 1 . 430 . . 42 THR CG2 . 18586 1
441 . 1 1 42 42 THR N N 15 108.612 0.056 . 1 . 152 . . 42 THR N . 18586 1
442 . 1 1 43 43 GLN H H 1 7.257 0.006 . 1 . 168 . . 43 GLN H . 18586 1
443 . 1 1 43 43 GLN HA H 1 4.623 0.008 . 1 . 542 . . 43 GLN HA . 18586 1
444 . 1 1 43 43 GLN CA C 13 54.332 0.2 . 1 . 170 . . 43 GLN CA . 18586 1
445 . 1 1 43 43 GLN CB C 13 31.631 0.2 . 1 . 171 . . 43 GLN CB . 18586 1
446 . 1 1 43 43 GLN N N 15 118.161 0.025 . 1 . 169 . . 43 GLN N . 18586 1
447 . 1 1 44 44 ALA HA H 1 3.864 0.01 . 1 . 692 . . 44 ALA HA . 18586 1
448 . 1 1 44 44 ALA HB1 H 1 1.353 0.016 . 1 . 694 . . 44 ALA HB1 . 18586 1
449 . 1 1 44 44 ALA HB2 H 1 1.353 0.016 . 1 . 694 . . 44 ALA HB2 . 18586 1
450 . 1 1 44 44 ALA HB3 H 1 1.353 0.016 . 1 . 694 . . 44 ALA HB3 . 18586 1
451 . 1 1 44 44 ALA C C 13 179.325 0.2 . 1 . 353 . . 44 ALA C . 18586 1
452 . 1 1 44 44 ALA CA C 13 55.569 0.055 . 1 . 313 . . 44 ALA CA . 18586 1
453 . 1 1 44 44 ALA CB C 13 17.913 0.04 . 1 . 314 . . 44 ALA CB . 18586 1
454 . 1 1 45 45 SER H H 1 8.744 0.001 . 1 . 309 . . 45 SER H . 18586 1
455 . 1 1 45 45 SER HA H 1 2.864 0.01 . 1 . 611 . . 45 SER HA . 18586 1
456 . 1 1 45 45 SER HB2 H 1 3.409 0.014 . 2 . 614 . . 45 SER HB2 . 18586 1
457 . 1 1 45 45 SER HB3 H 1 3.217 0.011 . 2 . 613 . . 45 SER HB3 . 18586 1
458 . 1 1 45 45 SER C C 13 177.517 0.2 . 1 . 354 . . 45 SER C . 18586 1
459 . 1 1 45 45 SER CA C 13 61.015 0.053 . 1 . 311 . . 45 SER CA . 18586 1
460 . 1 1 45 45 SER CB C 13 61.493 0.038 . 1 . 312 . . 45 SER CB . 18586 1
461 . 1 1 45 45 SER N N 15 111.824 0.018 . 1 . 310 . . 45 SER N . 18586 1
462 . 1 1 46 46 SER H H 1 6.932 0.011 . 1 . 39 . . 46 SER H . 18586 1
463 . 1 1 46 46 SER HA H 1 4.185 0.017 . 1 . 507 . . 46 SER HA . 18586 1
464 . 1 1 46 46 SER HB2 H 1 4.231 0.05 . 2 . 896 . . 46 SER HB2 . 18586 1
465 . 1 1 46 46 SER HB3 H 1 3.974 0.05 . 2 . 895 . . 46 SER HB3 . 18586 1
466 . 1 1 46 46 SER C C 13 175.729 0.2 . 1 . 355 . . 46 SER C . 18586 1
467 . 1 1 46 46 SER CA C 13 60.656 0.059 . 1 . 41 . . 46 SER CA . 18586 1
468 . 1 1 46 46 SER CB C 13 62.578 0.085 . 1 . 42 . . 46 SER CB . 18586 1
469 . 1 1 46 46 SER N N 15 118.211 0.025 . 1 . 40 . . 46 SER N . 18586 1
470 . 1 1 47 47 LEU H H 1 7.132 0.008 . 1 . 43 . . 47 LEU H . 18586 1
471 . 1 1 47 47 LEU HA H 1 2.801 0.01 . 1 . 508 . . 47 LEU HA . 18586 1
472 . 1 1 47 47 LEU HB2 H 1 0.992 0.013 . 1 . 696 . . 47 LEU HB2 . 18586 1
473 . 1 1 47 47 LEU HB3 H 1 1.848 0.012 . 1 . 695 . . 47 LEU HB3 . 18586 1
474 . 1 1 47 47 LEU HG H 1 1.311 0.009 . 1 . 697 . . 47 LEU HG . 18586 1
475 . 1 1 47 47 LEU HD11 H 1 0.641 0.014 . 2 . 699 . . 47 LEU HD11 . 18586 1
476 . 1 1 47 47 LEU HD12 H 1 0.641 0.014 . 2 . 699 . . 47 LEU HD12 . 18586 1
477 . 1 1 47 47 LEU HD13 H 1 0.641 0.014 . 2 . 699 . . 47 LEU HD13 . 18586 1
478 . 1 1 47 47 LEU HD21 H 1 0.780 0.007 . 2 . 698 . . 47 LEU HD21 . 18586 1
479 . 1 1 47 47 LEU HD22 H 1 0.780 0.007 . 2 . 698 . . 47 LEU HD22 . 18586 1
480 . 1 1 47 47 LEU HD23 H 1 0.780 0.007 . 2 . 698 . . 47 LEU HD23 . 18586 1
481 . 1 1 47 47 LEU C C 13 177.273 0.2 . 1 . 356 . . 47 LEU C . 18586 1
482 . 1 1 47 47 LEU CA C 13 57.883 0.074 . 1 . 45 . . 47 LEU CA . 18586 1
483 . 1 1 47 47 LEU CB C 13 40.990 0.067 . 1 . 46 . . 47 LEU CB . 18586 1
484 . 1 1 47 47 LEU N N 15 124.822 0.038 . 1 . 44 . . 47 LEU N . 18586 1
485 . 1 1 48 48 ILE H H 1 8.152 0.007 . 1 . 47 . . 48 ILE H . 18586 1
486 . 1 1 48 48 ILE HA H 1 3.457 0.012 . 1 . 509 . . 48 ILE HA . 18586 1
487 . 1 1 48 48 ILE HB H 1 1.647 0.016 . 1 . 561 . . 48 ILE HB . 18586 1
488 . 1 1 48 48 ILE HG12 H 1 1.472 0.015 . 2 . 562 . . 48 ILE HG12 . 18586 1
489 . 1 1 48 48 ILE HG13 H 1 1.041 0.008 . 2 . 563 . . 48 ILE HG13 . 18586 1
490 . 1 1 48 48 ILE HG21 H 1 0.748 0.017 . 1 . 564 . . 48 ILE HG21 . 18586 1
491 . 1 1 48 48 ILE HG22 H 1 0.748 0.017 . 1 . 564 . . 48 ILE HG22 . 18586 1
492 . 1 1 48 48 ILE HG23 H 1 0.748 0.017 . 1 . 564 . . 48 ILE HG23 . 18586 1
493 . 1 1 48 48 ILE HD11 H 1 0.670 0.009 . 1 . 565 . . 48 ILE HD11 . 18586 1
494 . 1 1 48 48 ILE HD12 H 1 0.670 0.009 . 1 . 565 . . 48 ILE HD12 . 18586 1
495 . 1 1 48 48 ILE HD13 H 1 0.670 0.009 . 1 . 565 . . 48 ILE HD13 . 18586 1
496 . 1 1 48 48 ILE C C 13 178.059 0.2 . 1 . 357 . . 48 ILE C . 18586 1
497 . 1 1 48 48 ILE CA C 13 64.674 0.051 . 1 . 49 . . 48 ILE CA . 18586 1
498 . 1 1 48 48 ILE CB C 13 37.786 0.039 . 1 . 50 . . 48 ILE CB . 18586 1
499 . 1 1 48 48 ILE CG1 C 13 29.124 0.065 . 1 . 431 . . 48 ILE CG1 . 18586 1
500 . 1 1 48 48 ILE CG2 C 13 16.934 0.044 . 1 . 432 . . 48 ILE CG2 . 18586 1
501 . 1 1 48 48 ILE CD1 C 13 12.592 0.021 . 1 . 433 . . 48 ILE CD1 . 18586 1
502 . 1 1 48 48 ILE N N 15 118.672 0.05 . 1 . 48 . . 48 ILE N . 18586 1
503 . 1 1 49 49 ALA H H 1 7.237 0.006 . 1 . 51 . . 49 ALA H . 18586 1
504 . 1 1 49 49 ALA HA H 1 3.902 0.01 . 1 . 510 . . 49 ALA HA . 18586 1
505 . 1 1 49 49 ALA HB1 H 1 1.326 0.013 . 1 . 700 . . 49 ALA HB1 . 18586 1
506 . 1 1 49 49 ALA HB2 H 1 1.326 0.013 . 1 . 700 . . 49 ALA HB2 . 18586 1
507 . 1 1 49 49 ALA HB3 H 1 1.326 0.013 . 1 . 700 . . 49 ALA HB3 . 18586 1
508 . 1 1 49 49 ALA C C 13 179.603 0.2 . 1 . 358 . . 49 ALA C . 18586 1
509 . 1 1 49 49 ALA CA C 13 54.762 0.041 . 1 . 53 . . 49 ALA CA . 18586 1
510 . 1 1 49 49 ALA CB C 13 18.004 0.051 . 1 . 54 . . 49 ALA CB . 18586 1
511 . 1 1 49 49 ALA N N 15 120.061 0.041 . 1 . 52 . . 49 ALA N . 18586 1
512 . 1 1 50 50 HIS H H 1 7.429 0.009 . 1 . 55 . . 50 HIS H . 18586 1
513 . 1 1 50 50 HIS HA H 1 4.078 0.017 . 1 . 511 . . 50 HIS HA . 18586 1
514 . 1 1 50 50 HIS HB2 H 1 2.868 0.01 . 1 . 702 . . 50 HIS HB2 . 18586 1
515 . 1 1 50 50 HIS HB3 H 1 3.050 0.015 . 1 . 701 . . 50 HIS HB3 . 18586 1
516 . 1 1 50 50 HIS HD2 H 1 6.889 0.005 . 1 . 840 . . 50 HIS HD2 . 18586 1
517 . 1 1 50 50 HIS C C 13 177.439 0.2 . 1 . 359 . . 50 HIS C . 18586 1
518 . 1 1 50 50 HIS CA C 13 59.262 0.025 . 1 . 57 . . 50 HIS CA . 18586 1
519 . 1 1 50 50 HIS CB C 13 28.579 0.049 . 1 . 58 . . 50 HIS CB . 18586 1
520 . 1 1 50 50 HIS CD2 C 13 130.313 0.0 . 1 . 839 . . 50 HIS CD2 . 18586 1
521 . 1 1 50 50 HIS N N 15 117.236 0.063 . 1 . 56 . . 50 HIS N . 18586 1
522 . 1 1 51 51 VAL H H 1 8.581 0.007 . 1 . 59 . . 51 VAL H . 18586 1
523 . 1 1 51 51 VAL HA H 1 3.484 0.017 . 1 . 512 . . 51 VAL HA . 18586 1
524 . 1 1 51 51 VAL HB H 1 2.112 0.014 . 1 . 572 . . 51 VAL HB . 18586 1
525 . 1 1 51 51 VAL HG11 H 1 0.989 0.019 . 1 . 574 . . 51 VAL HG11 . 18586 1
526 . 1 1 51 51 VAL HG12 H 1 0.989 0.019 . 1 . 574 . . 51 VAL HG12 . 18586 1
527 . 1 1 51 51 VAL HG13 H 1 0.989 0.019 . 1 . 574 . . 51 VAL HG13 . 18586 1
528 . 1 1 51 51 VAL HG21 H 1 1.213 0.015 . 1 . 573 . . 51 VAL HG21 . 18586 1
529 . 1 1 51 51 VAL HG22 H 1 1.213 0.015 . 1 . 573 . . 51 VAL HG22 . 18586 1
530 . 1 1 51 51 VAL HG23 H 1 1.213 0.015 . 1 . 573 . . 51 VAL HG23 . 18586 1
531 . 1 1 51 51 VAL C C 13 178.460 0.2 . 1 . 360 . . 51 VAL C . 18586 1
532 . 1 1 51 51 VAL CA C 13 66.744 0.029 . 1 . 61 . . 51 VAL CA . 18586 1
533 . 1 1 51 51 VAL CB C 13 31.657 0.046 . 1 . 62 . . 51 VAL CB . 18586 1
534 . 1 1 51 51 VAL CG1 C 13 22.318 0.082 . 1 . 576 . . 51 VAL CG1 . 18586 1
535 . 1 1 51 51 VAL CG2 C 13 22.318 0.082 . 1 . 577 . . 51 VAL CG2 . 18586 1
536 . 1 1 51 51 VAL N N 15 119.094 0.02 . 1 . 60 . . 51 VAL N . 18586 1
537 . 1 1 52 52 ARG H H 1 7.397 0.01 . 1 . 242 . . 52 ARG H . 18586 1
538 . 1 1 52 52 ARG HA H 1 4.086 0.01 . 1 . 513 . . 52 ARG HA . 18586 1
539 . 1 1 52 52 ARG C C 13 178.130 0.2 . 1 . 361 . . 52 ARG C . 18586 1
540 . 1 1 52 52 ARG CA C 13 58.801 0.2 . 1 . 244 . . 52 ARG CA . 18586 1
541 . 1 1 52 52 ARG CB C 13 29.780 0.008 . 1 . 245 . . 52 ARG CB . 18586 1
542 . 1 1 52 52 ARG CG C 13 27.738 0.2 . 1 . 437 . . 52 ARG CG . 18586 1
543 . 1 1 52 52 ARG CD C 13 43.414 0.2 . 1 . 436 . . 52 ARG CD . 18586 1
544 . 1 1 52 52 ARG N N 15 118.214 0.022 . 1 . 243 . . 52 ARG N . 18586 1
545 . 1 1 53 53 GLN H H 1 7.525 0.009 . 1 . 246 . . 53 GLN H . 18586 1
546 . 1 1 53 53 GLN HA H 1 3.992 0.013 . 1 . 514 . . 53 GLN HA . 18586 1
547 . 1 1 53 53 GLN HB2 H 1 1.791 0.012 . 2 . 752 . . 53 GLN HB2 . 18586 1
548 . 1 1 53 53 GLN HB3 H 1 1.836 0.01 . 2 . 751 . . 53 GLN HB3 . 18586 1
549 . 1 1 53 53 GLN HG2 H 1 2.145 0.006 . 2 . 750 . . 53 GLN HG2 . 18586 1
550 . 1 1 53 53 GLN HG3 H 1 2.231 0.011 . 2 . 749 . . 53 GLN HG3 . 18586 1
551 . 1 1 53 53 GLN C C 13 177.537 0.2 . 1 . 362 . . 53 GLN C . 18586 1
552 . 1 1 53 53 GLN CA C 13 57.204 0.019 . 1 . 248 . . 53 GLN CA . 18586 1
553 . 1 1 53 53 GLN CB C 13 27.940 0.015 . 1 . 249 . . 53 GLN CB . 18586 1
554 . 1 1 53 53 GLN CG C 13 33.510 0.015 . 1 . 438 . . 53 GLN CG . 18586 1
555 . 1 1 53 53 GLN N N 15 116.882 0.018 . 1 . 247 . . 53 GLN N . 18586 1
556 . 1 1 54 54 HIS H H 1 7.325 0.01 . 1 . 251 . . 54 HIS H . 18586 1
557 . 1 1 54 54 HIS HA H 1 4.585 0.004 . 1 . 515 . . 54 HIS HA . 18586 1
558 . 1 1 54 54 HIS HB2 H 1 3.050 0.014 . 1 . 824 . . 54 HIS HB2 . 18586 1
559 . 1 1 54 54 HIS HB3 H 1 3.240 0.012 . 1 . 823 . . 54 HIS HB3 . 18586 1
560 . 1 1 54 54 HIS HD2 H 1 6.562 0.008 . 1 . 853 . . 54 HIS HD2 . 18586 1
561 . 1 1 54 54 HIS HE1 H 1 7.926 0.007 . 1 . 833 . . 54 HIS HE1 . 18586 1
562 . 1 1 54 54 HIS C C 13 175.986 0.2 . 1 . 363 . . 54 HIS C . 18586 1
563 . 1 1 54 54 HIS CA C 13 56.657 0.056 . 1 . 252 . . 54 HIS CA . 18586 1
564 . 1 1 54 54 HIS CB C 13 28.544 0.017 . 1 . 253 . . 54 HIS CB . 18586 1
565 . 1 1 54 54 HIS CD2 C 13 130.312 0.0 . 1 . 852 . . 54 HIS CD2 . 18586 1
566 . 1 1 54 54 HIS CE1 C 13 142.684 0.2 . 1 . 832 . . 54 HIS CE1 . 18586 1
567 . 1 1 54 54 HIS N N 15 116.588 0.026 . 1 . 250 . . 54 HIS N . 18586 1
568 . 1 1 55 55 THR H H 1 7.707 0.004 . 1 . 254 . . 55 THR H . 18586 1
569 . 1 1 55 55 THR HA H 1 4.138 0.006 . 1 . 516 . . 55 THR HA . 18586 1
570 . 1 1 55 55 THR HB H 1 4.170 0.006 . 1 . 619 . . 55 THR HB . 18586 1
571 . 1 1 55 55 THR HG21 H 1 1.078 0.016 . 1 . 617 . . 55 THR HG21 . 18586 1
572 . 1 1 55 55 THR HG22 H 1 1.078 0.016 . 1 . 617 . . 55 THR HG22 . 18586 1
573 . 1 1 55 55 THR HG23 H 1 1.078 0.016 . 1 . 617 . . 55 THR HG23 . 18586 1
574 . 1 1 55 55 THR C C 13 175.140 0.2 . 1 . 364 . . 55 THR C . 18586 1
575 . 1 1 55 55 THR CA C 13 62.768 0.041 . 1 . 256 . . 55 THR CA . 18586 1
576 . 1 1 55 55 THR CB C 13 69.576 0.052 . 1 . 257 . . 55 THR CB . 18586 1
577 . 1 1 55 55 THR N N 15 112.615 0.017 . 1 . 255 . . 55 THR N . 18586 1
578 . 1 1 56 56 GLY H H 1 8.220 0.01 . 1 . 258 . . 56 GLY H . 18586 1
579 . 1 1 56 56 GLY HA2 H 1 3.816 0.002 . 2 . 757 . . 56 GLY HA2 . 18586 1
580 . 1 1 56 56 GLY HA3 H 1 3.875 0.008 . 2 . 756 . . 56 GLY HA3 . 18586 1
581 . 1 1 56 56 GLY C C 13 173.958 0.2 . 1 . 365 . . 56 GLY C . 18586 1
582 . 1 1 56 56 GLY CA C 13 45.302 0.018 . 1 . 260 . . 56 GLY CA . 18586 1
583 . 1 1 56 56 GLY N N 15 111.071 0.044 . 1 . 259 . . 56 GLY N . 18586 1
584 . 1 1 57 57 GLU H H 1 7.900 0.004 . 1 . 261 . . 57 GLU H . 18586 1
585 . 1 1 57 57 GLU HA H 1 4.141 0.016 . 1 . 517 . . 57 GLU HA . 18586 1
586 . 1 1 57 57 GLU HB2 H 1 1.814 0.008 . 2 . 761 . . 57 GLU HB2 . 18586 1
587 . 1 1 57 57 GLU HB3 H 1 1.905 0.006 . 2 . 760 . . 57 GLU HB3 . 18586 1
588 . 1 1 57 57 GLU HG2 H 1 2.091 0.004 . 2 . 759 . . 57 GLU HG2 . 18586 1
589 . 1 1 57 57 GLU HG3 H 1 2.133 0.008 . 2 . 758 . . 57 GLU HG3 . 18586 1
590 . 1 1 57 57 GLU C C 13 176.139 0.2 . 1 . 366 . . 57 GLU C . 18586 1
591 . 1 1 57 57 GLU CA C 13 56.455 0.087 . 1 . 263 . . 57 GLU CA . 18586 1
592 . 1 1 57 57 GLU CB C 13 30.322 0.026 . 1 . 264 . . 57 GLU CB . 18586 1
593 . 1 1 57 57 GLU CG C 13 36.063 0.005 . 1 . 439 . . 57 GLU CG . 18586 1
594 . 1 1 57 57 GLU N N 15 120.313 0.005 . 1 . 262 . . 57 GLU N . 18586 1
595 . 1 1 58 58 LYS H H 1 8.207 0.011 . 1 . 269 . . 58 LYS H . 18586 1
596 . 1 1 58 58 LYS HA H 1 4.507 0.05 . 1 . 518 . . 58 LYS HA . 18586 1
597 . 1 1 58 58 LYS CA C 13 54.031 0.2 . 1 . 271 . . 58 LYS CA . 18586 1
598 . 1 1 58 58 LYS CB C 13 32.520 0.2 . 1 . 272 . . 58 LYS CB . 18586 1
599 . 1 1 58 58 LYS N N 15 122.691 0.029 . 1 . 270 . . 58 LYS N . 18586 1
600 . 1 1 59 59 PRO HA H 1 4.229 0.01 . 1 . 762 . . 59 PRO HA . 18586 1
601 . 1 1 59 59 PRO HB2 H 1 1.324 0.01 . 2 . 766 . . 59 PRO HB2 . 18586 1
602 . 1 1 59 59 PRO HB3 H 1 1.929 0.009 . 2 . 765 . . 59 PRO HB3 . 18586 1
603 . 1 1 59 59 PRO HG2 H 1 1.624 0.003 . 2 . 768 . . 59 PRO HG2 . 18586 1
604 . 1 1 59 59 PRO HG3 H 1 1.761 0.01 . 2 . 767 . . 59 PRO HG3 . 18586 1
605 . 1 1 59 59 PRO HD2 H 1 3.455 0.006 . 2 . 764 . . 59 PRO HD2 . 18586 1
606 . 1 1 59 59 PRO HD3 H 1 3.604 0.01 . 2 . 763 . . 59 PRO HD3 . 18586 1
607 . 1 1 59 59 PRO C C 13 175.793 0.2 . 1 . 367 . . 59 PRO C . 18586 1
608 . 1 1 59 59 PRO CA C 13 62.864 0.065 . 1 . 197 . . 59 PRO CA . 18586 1
609 . 1 1 59 59 PRO CB C 13 32.179 0.045 . 1 . 198 . . 59 PRO CB . 18586 1
610 . 1 1 59 59 PRO CG C 13 26.838 0.005 . 1 . 441 . . 59 PRO CG . 18586 1
611 . 1 1 59 59 PRO CD C 13 49.888 0.033 . 1 . 440 . . 59 PRO CD . 18586 1
612 . 1 1 60 60 TYR H H 1 8.103 0.012 . 1 . 193 . . 60 TYR H . 18586 1
613 . 1 1 60 60 TYR HA H 1 4.426 0.018 . 1 . 519 . . 60 TYR HA . 18586 1
614 . 1 1 60 60 TYR HB2 H 1 2.776 0.017 . 1 . 558 . . 60 TYR HB2 . 18586 1
615 . 1 1 60 60 TYR HB3 H 1 2.776 0.017 . 1 . 559 . . 60 TYR HB3 . 18586 1
616 . 1 1 60 60 TYR HD1 H 1 6.897 0.004 . 3 . 866 . . 60 TYR HD1 . 18586 1
617 . 1 1 60 60 TYR HD2 H 1 6.897 0.004 . 3 . 866 . . 60 TYR HD2 . 18586 1
618 . 1 1 60 60 TYR C C 13 174.654 0.2 . 1 . 368 . . 60 TYR C . 18586 1
619 . 1 1 60 60 TYR CA C 13 57.478 0.081 . 1 . 195 . . 60 TYR CA . 18586 1
620 . 1 1 60 60 TYR CB C 13 38.062 0.067 . 1 . 196 . . 60 TYR CB . 18586 1
621 . 1 1 60 60 TYR CD1 C 13 136.109 0.038 . 3 . 867 . . 60 TYR CD1 . 18586 1
622 . 1 1 60 60 TYR CD2 C 13 136.109 0.038 . 3 . 867 . . 60 TYR CD2 . 18586 1
623 . 1 1 60 60 TYR N N 15 119.458 0.041 . 1 . 194 . . 60 TYR N . 18586 1
624 . 1 1 61 61 VAL H H 1 8.236 0.013 . 1 . 199 . . 61 VAL H . 18586 1
625 . 1 1 61 61 VAL HA H 1 4.593 0.018 . 1 . 520 . . 61 VAL HA . 18586 1
626 . 1 1 61 61 VAL HB H 1 1.710 0.014 . 1 . 705 . . 61 VAL HB . 18586 1
627 . 1 1 61 61 VAL HG11 H 1 0.615 0.012 . 2 . 707 . . 61 VAL HG11 . 18586 1
628 . 1 1 61 61 VAL HG12 H 1 0.615 0.012 . 2 . 707 . . 61 VAL HG12 . 18586 1
629 . 1 1 61 61 VAL HG13 H 1 0.615 0.012 . 2 . 707 . . 61 VAL HG13 . 18586 1
630 . 1 1 61 61 VAL HG21 H 1 0.658 0.011 . 2 . 706 . . 61 VAL HG21 . 18586 1
631 . 1 1 61 61 VAL HG22 H 1 0.658 0.011 . 2 . 706 . . 61 VAL HG22 . 18586 1
632 . 1 1 61 61 VAL HG23 H 1 0.658 0.011 . 2 . 706 . . 61 VAL HG23 . 18586 1
633 . 1 1 61 61 VAL C C 13 175.098 0.2 . 1 . 369 . . 61 VAL C . 18586 1
634 . 1 1 61 61 VAL CA C 13 60.902 0.042 . 1 . 201 . . 61 VAL CA . 18586 1
635 . 1 1 61 61 VAL CB C 13 34.808 0.042 . 1 . 202 . . 61 VAL CB . 18586 1
636 . 1 1 61 61 VAL CG1 C 13 21.069 0.015 . 1 . 703 . . 61 VAL CG1 . 18586 1
637 . 1 1 61 61 VAL CG2 C 13 21.069 0.015 . 1 . 704 . . 61 VAL CG2 . 18586 1
638 . 1 1 61 61 VAL N N 15 123.692 0.043 . 1 . 200 . . 61 VAL N . 18586 1
639 . 1 1 62 62 CYS H H 1 8.837 0.008 . 1 . 203 . . 62 CYS H . 18586 1
640 . 1 1 62 62 CYS HA H 1 4.496 0.013 . 1 . 521 . . 62 CYS HA . 18586 1
641 . 1 1 62 62 CYS HB2 H 1 2.757 0.021 . 1 . 711 . . 62 CYS HB2 . 18586 1
642 . 1 1 62 62 CYS HB3 H 1 3.281 0.015 . 1 . 710 . . 62 CYS HB3 . 18586 1
643 . 1 1 62 62 CYS C C 13 177.172 0.2 . 1 . 370 . . 62 CYS C . 18586 1
644 . 1 1 62 62 CYS CA C 13 59.193 0.04 . 1 . 205 . . 62 CYS CA . 18586 1
645 . 1 1 62 62 CYS CB C 13 29.875 0.037 . 1 . 206 . . 62 CYS CB . 18586 1
646 . 1 1 62 62 CYS N N 15 128.744 0.025 . 1 . 204 . . 62 CYS N . 18586 1
647 . 1 1 63 63 GLU H H 1 9.397 0.008 . 1 . 207 . . 63 GLU H . 18586 1
648 . 1 1 63 63 GLU HA H 1 4.083 0.01 . 1 . 522 . . 63 GLU HA . 18586 1
649 . 1 1 63 63 GLU HB2 H 1 1.991 0.008 . 2 . 717 . . 63 GLU HB2 . 18586 1
650 . 1 1 63 63 GLU HB3 H 1 2.066 0.002 . 2 . 716 . . 63 GLU HB3 . 18586 1
651 . 1 1 63 63 GLU HG2 H 1 2.245 0.014 . 1 . 715 . . 63 GLU HG2 . 18586 1
652 . 1 1 63 63 GLU HG3 H 1 2.248 0.012 . 1 . 714 . . 63 GLU HG3 . 18586 1
653 . 1 1 63 63 GLU C C 13 176.477 0.2 . 1 . 371 . . 63 GLU C . 18586 1
654 . 1 1 63 63 GLU CA C 13 58.437 0.066 . 1 . 209 . . 63 GLU CA . 18586 1
655 . 1 1 63 63 GLU CB C 13 29.567 0.076 . 1 . 210 . . 63 GLU CB . 18586 1
656 . 1 1 63 63 GLU CG C 13 36.089 0.049 . 1 . 444 . . 63 GLU CG . 18586 1
657 . 1 1 63 63 GLU N N 15 132.308 0.023 . 1 . 208 . . 63 GLU N . 18586 1
658 . 1 1 64 64 ARG H H 1 8.730 0.004 . 1 . 211 . . 64 ARG H . 18586 1
659 . 1 1 64 64 ARG HA H 1 4.142 0.015 . 1 . 523 . . 64 ARG HA . 18586 1
660 . 1 1 64 64 ARG HB2 H 1 1.306 0.003 . 2 . 900 . . 64 ARG HB2 . 18586 1
661 . 1 1 64 64 ARG HB3 H 1 1.428 0.003 . 2 . 899 . . 64 ARG HB3 . 18586 1
662 . 1 1 64 64 ARG HG2 H 1 1.263 0.004 . 2 . 902 . . 64 ARG HG2 . 18586 1
663 . 1 1 64 64 ARG HG3 H 1 1.386 0.003 . 2 . 901 . . 64 ARG HG3 . 18586 1
664 . 1 1 64 64 ARG HD2 H 1 2.434 0.009 . 2 . 898 . . 64 ARG HD2 . 18586 1
665 . 1 1 64 64 ARG HD3 H 1 2.601 0.006 . 2 . 897 . . 64 ARG HD3 . 18586 1
666 . 1 1 64 64 ARG C C 13 177.287 0.2 . 1 . 372 . . 64 ARG C . 18586 1
667 . 1 1 64 64 ARG CA C 13 58.003 0.041 . 1 . 213 . . 64 ARG CA . 18586 1
668 . 1 1 64 64 ARG CB C 13 30.365 0.019 . 1 . 214 . . 64 ARG CB . 18586 1
669 . 1 1 64 64 ARG CG C 13 26.650 0.0 . 1 . 446 . . 64 ARG CG . 18586 1
670 . 1 1 64 64 ARG CD C 13 42.845 0.002 . 1 . 445 . . 64 ARG CD . 18586 1
671 . 1 1 64 64 ARG N N 15 120.080 0.027 . 1 . 212 . . 64 ARG N . 18586 1
672 . 1 1 65 65 CYS H H 1 8.139 0.006 . 1 . 215 . . 65 CYS H . 18586 1
673 . 1 1 65 65 CYS HA H 1 5.121 0.018 . 1 . 524 . . 65 CYS HA . 18586 1
674 . 1 1 65 65 CYS HB2 H 1 2.823 0.015 . 1 . 557 . . 65 CYS HB2 . 18586 1
675 . 1 1 65 65 CYS HB3 H 1 3.352 0.013 . 1 . 556 . . 65 CYS HB3 . 18586 1
676 . 1 1 65 65 CYS C C 13 176.073 0.2 . 1 . 373 . . 65 CYS C . 18586 1
677 . 1 1 65 65 CYS CA C 13 58.433 0.06 . 1 . 217 . . 65 CYS CA . 18586 1
678 . 1 1 65 65 CYS CB C 13 32.677 0.058 . 1 . 218 . . 65 CYS CB . 18586 1
679 . 1 1 65 65 CYS N N 15 115.270 0.027 . 1 . 216 . . 65 CYS N . 18586 1
680 . 1 1 66 66 GLY H H 1 8.260 0.007 . 1 . 219 . . 66 GLY H . 18586 1
681 . 1 1 66 66 GLY HA2 H 1 3.609 0.017 . 2 . 641 . . 66 GLY HA2 . 18586 1
682 . 1 1 66 66 GLY HA3 H 1 4.117 0.013 . 2 . 640 . . 66 GLY HA3 . 18586 1
683 . 1 1 66 66 GLY C C 13 173.561 0.2 . 1 . 374 . . 66 GLY C . 18586 1
684 . 1 1 66 66 GLY CA C 13 46.005 0.046 . 1 . 221 . . 66 GLY CA . 18586 1
685 . 1 1 66 66 GLY N N 15 113.667 0.023 . 1 . 220 . . 66 GLY N . 18586 1
686 . 1 1 67 67 LYS H H 1 7.954 0.005 . 1 . 222 . . 67 LYS H . 18586 1
687 . 1 1 67 67 LYS HA H 1 3.816 0.016 . 1 . 527 . . 67 LYS HA . 18586 1
688 . 1 1 67 67 LYS HB2 H 1 1.325 0.005 . 2 . 906 . . 67 LYS HB2 . 18586 1
689 . 1 1 67 67 LYS HB3 H 1 1.084 0.003 . 2 . 905 . . 67 LYS HB3 . 18586 1
690 . 1 1 67 67 LYS HG2 H 1 1.297 0.003 . 2 . 904 . . 67 LYS HG2 . 18586 1
691 . 1 1 67 67 LYS HG3 H 1 0.904 0.007 . 2 . 903 . . 67 LYS HG3 . 18586 1
692 . 1 1 67 67 LYS HD2 H 1 1.372 0.002 . 1 . 907 . . 67 LYS HD2 . 18586 1
693 . 1 1 67 67 LYS HD3 H 1 1.372 0.002 . 1 . 909 . . 67 LYS HD3 . 18586 1
694 . 1 1 67 67 LYS HE2 H 1 2.784 0.015 . 2 . 818 . . 67 LYS HE2 . 18586 1
695 . 1 1 67 67 LYS HE3 H 1 2.828 0.009 . 2 . 817 . . 67 LYS HE3 . 18586 1
696 . 1 1 67 67 LYS C C 13 173.840 0.2 . 1 . 375 . . 67 LYS C . 18586 1
697 . 1 1 67 67 LYS CA C 13 58.348 0.017 . 1 . 224 . . 67 LYS CA . 18586 1
698 . 1 1 67 67 LYS CB C 13 33.472 0.009 . 1 . 225 . . 67 LYS CB . 18586 1
699 . 1 1 67 67 LYS CG C 13 26.519 0.001 . 1 . 449 . . 67 LYS CG . 18586 1
700 . 1 1 67 67 LYS CD C 13 29.195 0.2 . 1 . 448 . . 67 LYS CD . 18586 1
701 . 1 1 67 67 LYS CE C 13 42.139 0.2 . 1 . 447 . . 67 LYS CE . 18586 1
702 . 1 1 67 67 LYS N N 15 123.140 0.026 . 1 . 223 . . 67 LYS N . 18586 1
703 . 1 1 68 68 ARG H H 1 7.534 0.006 . 1 . 226 . . 68 ARG H . 18586 1
704 . 1 1 68 68 ARG HA H 1 5.091 0.012 . 1 . 528 . . 68 ARG HA . 18586 1
705 . 1 1 68 68 ARG HB2 H 1 1.314 0.01 . 2 . 585 . . 68 ARG HB2 . 18586 1
706 . 1 1 68 68 ARG HB3 H 1 1.671 0.008 . 2 . 584 . . 68 ARG HB3 . 18586 1
707 . 1 1 68 68 ARG HG2 H 1 1.607 0.006 . 2 . 777 . . 68 ARG HG2 . 18586 1
708 . 1 1 68 68 ARG HG3 H 1 1.249 0.007 . 2 . 776 . . 68 ARG HG3 . 18586 1
709 . 1 1 68 68 ARG HD2 H 1 3.015 0.014 . 2 . 579 . . 68 ARG HD2 . 18586 1
710 . 1 1 68 68 ARG HD3 H 1 3.128 0.004 . 2 . 578 . . 68 ARG HD3 . 18586 1
711 . 1 1 68 68 ARG C C 13 175.397 0.2 . 1 . 376 . . 68 ARG C . 18586 1
712 . 1 1 68 68 ARG CA C 13 54.302 0.064 . 1 . 228 . . 68 ARG CA . 18586 1
713 . 1 1 68 68 ARG CB C 13 33.529 0.032 . 1 . 229 . . 68 ARG CB . 18586 1
714 . 1 1 68 68 ARG CG C 13 28.285 0.033 . 1 . 451 . . 68 ARG CG . 18586 1
715 . 1 1 68 68 ARG CD C 13 43.309 0.033 . 1 . 450 . . 68 ARG CD . 18586 1
716 . 1 1 68 68 ARG N N 15 119.054 0.02 . 1 . 227 . . 68 ARG N . 18586 1
717 . 1 1 69 69 PHE H H 1 8.823 0.005 . 1 . 230 . . 69 PHE H . 18586 1
718 . 1 1 69 69 PHE HA H 1 4.670 0.02 . 1 . 529 . . 69 PHE HA . 18586 1
719 . 1 1 69 69 PHE HB2 H 1 2.458 0.016 . 1 . 798 . . 69 PHE HB2 . 18586 1
720 . 1 1 69 69 PHE HB3 H 1 3.374 0.013 . 1 . 797 . . 69 PHE HB3 . 18586 1
721 . 1 1 69 69 PHE HD1 H 1 6.964 0.009 . 3 . 864 . . 69 PHE HD1 . 18586 1
722 . 1 1 69 69 PHE HD2 H 1 6.964 0.009 . 3 . 864 . . 69 PHE HD2 . 18586 1
723 . 1 1 69 69 PHE C C 13 175.009 0.2 . 1 . 377 . . 69 PHE C . 18586 1
724 . 1 1 69 69 PHE CA C 13 56.798 0.011 . 1 . 232 . . 69 PHE CA . 18586 1
725 . 1 1 69 69 PHE CB C 13 43.449 0.019 . 1 . 233 . . 69 PHE CB . 18586 1
726 . 1 1 69 69 PHE CD1 C 13 135.380 0.033 . 3 . 865 . . 69 PHE CD1 . 18586 1
727 . 1 1 69 69 PHE CD2 C 13 135.380 0.033 . 3 . 865 . . 69 PHE CD2 . 18586 1
728 . 1 1 69 69 PHE N N 15 117.359 0.034 . 1 . 231 . . 69 PHE N . 18586 1
729 . 1 1 70 70 VAL H H 1 8.590 0.005 . 1 . 234 . . 70 VAL H . 18586 1
730 . 1 1 70 70 VAL HA H 1 4.170 0.014 . 1 . 530 . . 70 VAL HA . 18586 1
731 . 1 1 70 70 VAL HB H 1 2.203 0.008 . 1 . 543 . . 70 VAL HB . 18586 1
732 . 1 1 70 70 VAL HG11 H 1 1.020 0.007 . 2 . 545 . . 70 VAL HG11 . 18586 1
733 . 1 1 70 70 VAL HG12 H 1 1.020 0.007 . 2 . 545 . . 70 VAL HG12 . 18586 1
734 . 1 1 70 70 VAL HG13 H 1 1.020 0.007 . 2 . 545 . . 70 VAL HG13 . 18586 1
735 . 1 1 70 70 VAL HG21 H 1 1.085 0.003 . 2 . 544 . . 70 VAL HG21 . 18586 1
736 . 1 1 70 70 VAL HG22 H 1 1.085 0.003 . 2 . 544 . . 70 VAL HG22 . 18586 1
737 . 1 1 70 70 VAL HG23 H 1 1.085 0.003 . 2 . 544 . . 70 VAL HG23 . 18586 1
738 . 1 1 70 70 VAL C C 13 175.575 0.2 . 1 . 378 . . 70 VAL C . 18586 1
739 . 1 1 70 70 VAL CA C 13 64.666 0.057 . 1 . 236 . . 70 VAL CA . 18586 1
740 . 1 1 70 70 VAL CB C 13 32.810 0.049 . 1 . 237 . . 70 VAL CB . 18586 1
741 . 1 1 70 70 VAL CG1 C 13 21.854 0.058 . 2 . 453 . . 70 VAL CG1 . 18586 1
742 . 1 1 70 70 VAL CG2 C 13 22.039 0.01 . 2 . 452 . . 70 VAL CG2 . 18586 1
743 . 1 1 70 70 VAL N N 15 119.055 0.043 . 1 . 235 . . 70 VAL N . 18586 1
744 . 1 1 71 71 GLN H H 1 7.489 0.005 . 1 . 238 . . 71 GLN H . 18586 1
745 . 1 1 71 71 GLN HA H 1 4.758 0.01 . 1 . 531 . . 71 GLN HA . 18586 1
746 . 1 1 71 71 GLN HB2 H 1 2.166 0.003 . 1 . 594 . . 71 GLN HB2 . 18586 1
747 . 1 1 71 71 GLN HB3 H 1 1.595 0.019 . 1 . 595 . . 71 GLN HB3 . 18586 1
748 . 1 1 71 71 GLN HG2 H 1 2.262 0.011 . 2 . 593 . . 71 GLN HG2 . 18586 1
749 . 1 1 71 71 GLN HG3 H 1 2.304 0.01 . 2 . 592 . . 71 GLN HG3 . 18586 1
750 . 1 1 71 71 GLN CA C 13 53.641 0.004 . 1 . 240 . . 71 GLN CA . 18586 1
751 . 1 1 71 71 GLN CB C 13 32.115 0.055 . 1 . 241 . . 71 GLN CB . 18586 1
752 . 1 1 71 71 GLN CG C 13 33.638 0.0 . 1 . 596 . . 71 GLN CG . 18586 1
753 . 1 1 71 71 GLN N N 15 113.794 0.021 . 1 . 239 . . 71 GLN N . 18586 1
754 . 1 1 73 73 SER HA H 1 3.957 0.005 . 1 . 718 . . 73 SER HA . 18586 1
755 . 1 1 73 73 SER HB2 H 1 3.727 0.01 . 1 . 719 . . 73 SER HB2 . 18586 1
756 . 1 1 73 73 SER HB3 H 1 3.727 0.01 . 1 . 720 . . 73 SER HB3 . 18586 1
757 . 1 1 73 73 SER C C 13 176.771 0.2 . 1 . 379 . . 73 SER C . 18586 1
758 . 1 1 73 73 SER CA C 13 60.413 0.069 . 1 . 389 . . 73 SER CA . 18586 1
759 . 1 1 73 73 SER CB C 13 61.588 0.056 . 1 . 390 . . 73 SER CB . 18586 1
760 . 1 1 74 74 GLN H H 1 6.631 0.01 . 1 . 85 . . 74 GLN H . 18586 1
761 . 1 1 74 74 GLN HA H 1 3.934 0.016 . 1 . 532 . . 74 GLN HA . 18586 1
762 . 1 1 74 74 GLN HB2 H 1 2.342 0.007 . 1 . 726 . . 74 GLN HB2 . 18586 1
763 . 1 1 74 74 GLN HB3 H 1 1.945 0.011 . 1 . 727 . . 74 GLN HB3 . 18586 1
764 . 1 1 74 74 GLN HG2 H 1 2.414 0.003 . 1 . 724 . . 74 GLN HG2 . 18586 1
765 . 1 1 74 74 GLN HG3 H 1 2.414 0.003 . 1 . 725 . . 74 GLN HG3 . 18586 1
766 . 1 1 74 74 GLN C C 13 178.884 0.2 . 1 . 380 . . 74 GLN C . 18586 1
767 . 1 1 74 74 GLN CA C 13 57.752 0.08 . 1 . 98 . . 74 GLN CA . 18586 1
768 . 1 1 74 74 GLN CB C 13 28.223 0.026 . 1 . 97 . . 74 GLN CB . 18586 1
769 . 1 1 74 74 GLN CG C 13 33.810 0.046 . 1 . 455 . . 74 GLN CG . 18586 1
770 . 1 1 74 74 GLN N N 15 121.071 0.023 . 1 . 86 . . 74 GLN N . 18586 1
771 . 1 1 75 75 LEU H H 1 6.652 0.007 . 1 . 93 . . 75 LEU H . 18586 1
772 . 1 1 75 75 LEU HA H 1 3.060 0.008 . 1 . 533 . . 75 LEU HA . 18586 1
773 . 1 1 75 75 LEU HB2 H 1 1.035 0.012 . 1 . 772 . . 75 LEU HB2 . 18586 1
774 . 1 1 75 75 LEU HB3 H 1 1.741 0.01 . 1 . 771 . . 75 LEU HB3 . 18586 1
775 . 1 1 75 75 LEU HG H 1 1.501 0.006 . 1 . 910 . . 75 LEU HG . 18586 1
776 . 1 1 75 75 LEU HD11 H 1 0.956 0.004 . 2 . 774 . . 75 LEU HD11 . 18586 1
777 . 1 1 75 75 LEU HD12 H 1 0.956 0.004 . 2 . 774 . . 75 LEU HD12 . 18586 1
778 . 1 1 75 75 LEU HD13 H 1 0.956 0.004 . 2 . 774 . . 75 LEU HD13 . 18586 1
779 . 1 1 75 75 LEU HD21 H 1 0.895 0.009 . 2 . 773 . . 75 LEU HD21 . 18586 1
780 . 1 1 75 75 LEU HD22 H 1 0.895 0.009 . 2 . 773 . . 75 LEU HD22 . 18586 1
781 . 1 1 75 75 LEU HD23 H 1 0.895 0.009 . 2 . 773 . . 75 LEU HD23 . 18586 1
782 . 1 1 75 75 LEU C C 13 177.083 0.2 . 1 . 381 . . 75 LEU C . 18586 1
783 . 1 1 75 75 LEU CA C 13 57.377 0.08 . 1 . 95 . . 75 LEU CA . 18586 1
784 . 1 1 75 75 LEU CB C 13 40.208 0.069 . 1 . 96 . . 75 LEU CB . 18586 1
785 . 1 1 75 75 LEU CG C 13 27.029 0.2 . 1 . 460 . . 75 LEU CG . 18586 1
786 . 1 1 75 75 LEU CD1 C 13 26.039 0.019 . 2 . 461 . . 75 LEU CD1 . 18586 1
787 . 1 1 75 75 LEU CD2 C 13 22.969 0.014 . 2 . 463 . . 75 LEU CD2 . 18586 1
788 . 1 1 75 75 LEU N N 15 121.285 0.038 . 1 . 94 . . 75 LEU N . 18586 1
789 . 1 1 76 76 ALA H H 1 7.880 0.009 . 1 . 99 . . 76 ALA H . 18586 1
790 . 1 1 76 76 ALA HA H 1 3.863 0.013 . 1 . 495 . . 76 ALA HA . 18586 1
791 . 1 1 76 76 ALA HB1 H 1 1.247 0.014 . 1 . 799 . . 76 ALA HB1 . 18586 1
792 . 1 1 76 76 ALA HB2 H 1 1.247 0.014 . 1 . 799 . . 76 ALA HB2 . 18586 1
793 . 1 1 76 76 ALA HB3 H 1 1.247 0.014 . 1 . 799 . . 76 ALA HB3 . 18586 1
794 . 1 1 76 76 ALA C C 13 180.212 0.2 . 1 . 382 . . 76 ALA C . 18586 1
795 . 1 1 76 76 ALA CA C 13 55.208 0.055 . 1 . 101 . . 76 ALA CA . 18586 1
796 . 1 1 76 76 ALA CB C 13 17.548 0.033 . 1 . 102 . . 76 ALA CB . 18586 1
797 . 1 1 76 76 ALA N N 15 120.443 0.028 . 1 . 100 . . 76 ALA N . 18586 1
798 . 1 1 77 77 ASN H H 1 7.443 0.005 . 1 . 103 . . 77 ASN H . 18586 1
799 . 1 1 77 77 ASN HA H 1 4.234 0.014 . 1 . 534 . . 77 ASN HA . 18586 1
800 . 1 1 77 77 ASN HB2 H 1 2.644 0.015 . 1 . 728 . . 77 ASN HB2 . 18586 1
801 . 1 1 77 77 ASN HB3 H 1 2.644 0.015 . 1 . 729 . . 77 ASN HB3 . 18586 1
802 . 1 1 77 77 ASN HD21 H 1 6.870 0.005 . 1 . 871 . . 77 ASN HD21 . 18586 1
803 . 1 1 77 77 ASN HD22 H 1 7.546 0.002 . 1 . 869 . . 77 ASN HD22 . 18586 1
804 . 1 1 77 77 ASN C C 13 176.329 0.2 . 1 . 383 . . 77 ASN C . 18586 1
805 . 1 1 77 77 ASN CA C 13 56.003 0.05 . 1 . 105 . . 77 ASN CA . 18586 1
806 . 1 1 77 77 ASN CB C 13 38.701 0.063 . 1 . 106 . . 77 ASN CB . 18586 1
807 . 1 1 77 77 ASN N N 15 115.335 0.049 . 1 . 104 . . 77 ASN N . 18586 1
808 . 1 1 77 77 ASN ND2 N 15 112.938 0.027 . 1 . 872 . . 77 ASN ND2 . 18586 1
809 . 1 1 78 78 HIS H H 1 7.419 0.008 . 1 . 107 . . 78 HIS H . 18586 1
810 . 1 1 78 78 HIS HA H 1 4.133 0.015 . 1 . 535 . . 78 HIS HA . 18586 1
811 . 1 1 78 78 HIS HB2 H 1 2.737 0.013 . 1 . 802 . . 78 HIS HB2 . 18586 1
812 . 1 1 78 78 HIS HB3 H 1 3.154 0.017 . 1 . 800 . . 78 HIS HB3 . 18586 1
813 . 1 1 78 78 HIS HD2 H 1 7.003 0.006 . 1 . 842 . . 78 HIS HD2 . 18586 1
814 . 1 1 78 78 HIS C C 13 176.836 0.2 . 1 . 384 . . 78 HIS C . 18586 1
815 . 1 1 78 78 HIS CA C 13 58.784 0.055 . 1 . 109 . . 78 HIS CA . 18586 1
816 . 1 1 78 78 HIS CB C 13 28.529 0.027 . 1 . 110 . . 78 HIS CB . 18586 1
817 . 1 1 78 78 HIS CD2 C 13 130.312 0.001 . 1 . 841 . . 78 HIS CD2 . 18586 1
818 . 1 1 78 78 HIS N N 15 119.301 0.045 . 1 . 108 . . 78 HIS N . 18586 1
819 . 1 1 79 79 ILE H H 1 8.253 0.012 . 1 . 111 . . 79 ILE H . 18586 1
820 . 1 1 79 79 ILE HA H 1 3.545 0.016 . 1 . 536 . . 79 ILE HA . 18586 1
821 . 1 1 79 79 ILE HB H 1 1.857 0.015 . 1 . 567 . . 79 ILE HB . 18586 1
822 . 1 1 79 79 ILE HG12 H 1 1.347 0.016 . 2 . 569 . . 79 ILE HG12 . 18586 1
823 . 1 1 79 79 ILE HG13 H 1 1.662 0.013 . 2 . 568 . . 79 ILE HG13 . 18586 1
824 . 1 1 79 79 ILE HG21 H 1 0.908 0.009 . 1 . 570 . . 79 ILE HG21 . 18586 1
825 . 1 1 79 79 ILE HG22 H 1 0.908 0.009 . 1 . 570 . . 79 ILE HG22 . 18586 1
826 . 1 1 79 79 ILE HG23 H 1 0.908 0.009 . 1 . 570 . . 79 ILE HG23 . 18586 1
827 . 1 1 79 79 ILE HD11 H 1 0.885 0.015 . 1 . 571 . . 79 ILE HD11 . 18586 1
828 . 1 1 79 79 ILE HD12 H 1 0.885 0.015 . 1 . 571 . . 79 ILE HD12 . 18586 1
829 . 1 1 79 79 ILE HD13 H 1 0.885 0.015 . 1 . 571 . . 79 ILE HD13 . 18586 1
830 . 1 1 79 79 ILE C C 13 178.108 0.2 . 1 . 385 . . 79 ILE C . 18586 1
831 . 1 1 79 79 ILE CA C 13 64.829 0.063 . 1 . 113 . . 79 ILE CA . 18586 1
832 . 1 1 79 79 ILE CB C 13 37.947 0.025 . 1 . 114 . . 79 ILE CB . 18586 1
833 . 1 1 79 79 ILE CG1 C 13 28.859 0.068 . 1 . 466 . . 79 ILE CG1 . 18586 1
834 . 1 1 79 79 ILE CG2 C 13 17.556 0.07 . 1 . 467 . . 79 ILE CG2 . 18586 1
835 . 1 1 79 79 ILE CD1 C 13 13.609 0.03 . 1 . 468 . . 79 ILE CD1 . 18586 1
836 . 1 1 79 79 ILE N N 15 116.732 0.04 . 1 . 112 . . 79 ILE N . 18586 1
837 . 1 1 80 80 ARG H H 1 7.295 0.008 . 1 . 115 . . 80 ARG H . 18586 1
838 . 1 1 80 80 ARG HA H 1 3.910 0.01 . 1 . 537 . . 80 ARG HA . 18586 1
839 . 1 1 80 80 ARG HB2 H 1 1.593 0.003 . 2 . 914 . . 80 ARG HB2 . 18586 1
840 . 1 1 80 80 ARG HB3 H 1 1.657 0.002 . 2 . 913 . . 80 ARG HB3 . 18586 1
841 . 1 1 80 80 ARG HG2 H 1 1.274 0.007 . 2 . 916 . . 80 ARG HG2 . 18586 1
842 . 1 1 80 80 ARG HG3 H 1 1.417 0.016 . 2 . 915 . . 80 ARG HG3 . 18586 1
843 . 1 1 80 80 ARG HD2 H 1 3.019 0.006 . 1 . 912 . . 80 ARG HD2 . 18586 1
844 . 1 1 80 80 ARG HD3 H 1 3.021 0.005 . 1 . 911 . . 80 ARG HD3 . 18586 1
845 . 1 1 80 80 ARG C C 13 176.590 0.2 . 1 . 386 . . 80 ARG C . 18586 1
846 . 1 1 80 80 ARG CA C 13 58.192 0.052 . 1 . 117 . . 80 ARG CA . 18586 1
847 . 1 1 80 80 ARG CB C 13 29.900 0.004 . 1 . 118 . . 80 ARG CB . 18586 1
848 . 1 1 80 80 ARG CG C 13 27.179 0.0 . 1 . 465 . . 80 ARG CG . 18586 1
849 . 1 1 80 80 ARG CD C 13 43.232 0.0 . 1 . 464 . . 80 ARG CD . 18586 1
850 . 1 1 80 80 ARG N N 15 119.229 0.053 . 1 . 116 . . 80 ARG N . 18586 1
851 . 1 1 81 81 HIS H H 1 7.269 0.012 . 1 . 179 . . 81 HIS H . 18586 1
852 . 1 1 81 81 HIS HA H 1 4.608 0.011 . 1 . 538 . . 81 HIS HA . 18586 1
853 . 1 1 81 81 HIS HB2 H 1 2.717 0.02 . 2 . 804 . . 81 HIS HB2 . 18586 1
854 . 1 1 81 81 HIS HB3 H 1 3.157 0.026 . 2 . 803 . . 81 HIS HB3 . 18586 1
855 . 1 1 81 81 HIS C C 13 174.531 0.2 . 1 . 387 . . 81 HIS C . 18586 1
856 . 1 1 81 81 HIS CA C 13 54.913 0.013 . 1 . 181 . . 81 HIS CA . 18586 1
857 . 1 1 81 81 HIS CB C 13 28.647 0.046 . 1 . 182 . . 81 HIS CB . 18586 1
858 . 1 1 81 81 HIS N N 15 115.839 0.04 . 1 . 180 . . 81 HIS N . 18586 1
859 . 1 1 82 82 HIS H H 1 7.325 0.021 . 1 . 183 . . 82 HIS H . 18586 1
860 . 1 1 82 82 HIS HA H 1 3.981 0.015 . 1 . 539 . . 82 HIS HA . 18586 1
861 . 1 1 82 82 HIS HB2 H 1 3.120 0.044 . 1 . 732 . . 82 HIS HB2 . 18586 1
862 . 1 1 82 82 HIS HB3 H 1 2.885 0.013 . 1 . 733 . . 82 HIS HB3 . 18586 1
863 . 1 1 82 82 HIS HD2 H 1 6.187 0.003 . 1 . 858 . . 82 HIS HD2 . 18586 1
864 . 1 1 82 82 HIS HE1 H 1 7.907 0.001 . 1 . 831 . . 82 HIS HE1 . 18586 1
865 . 1 1 82 82 HIS C C 13 174.904 0.2 . 1 . 388 . . 82 HIS C . 18586 1
866 . 1 1 82 82 HIS CA C 13 58.009 0.02 . 1 . 185 . . 82 HIS CA . 18586 1
867 . 1 1 82 82 HIS CB C 13 29.240 0.061 . 1 . 186 . . 82 HIS CB . 18586 1
868 . 1 1 82 82 HIS CD2 C 13 129.375 0.2 . 1 . 856 . . 82 HIS CD2 . 18586 1
869 . 1 1 82 82 HIS CE1 C 13 142.684 0.2 . 1 . 830 . . 82 HIS CE1 . 18586 1
870 . 1 1 82 82 HIS N N 15 120.912 0.068 . 1 . 184 . . 82 HIS N . 18586 1
871 . 1 1 83 83 ASP H H 1 7.960 0.008 . 1 . 187 . . 83 ASP H . 18586 1
872 . 1 1 83 83 ASP HA H 1 4.326 0.012 . 1 . 540 . . 83 ASP HA . 18586 1
873 . 1 1 83 83 ASP HB2 H 1 2.512 0.003 . 2 . 598 . . 83 ASP HB2 . 18586 1
874 . 1 1 83 83 ASP HB3 H 1 2.597 0.004 . 2 . 597 . . 83 ASP HB3 . 18586 1
875 . 1 1 83 83 ASP CA C 13 55.889 0.023 . 1 . 189 . . 83 ASP CA . 18586 1
876 . 1 1 83 83 ASP CB C 13 41.649 0.019 . 1 . 190 . . 83 ASP CB . 18586 1
877 . 1 1 83 83 ASP N N 15 127.886 0.034 . 1 . 188 . . 83 ASP N . 18586 1
stop_
save_