###################################
# 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 25228
_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 HA(CO)NH' 1 $sample_1 isotropic 25228 1
2 '3D BEST-HNCACB' 1 $sample_1 isotropic 25228 1
3 '3D BEST-HNCOCACB' 1 $sample_1 isotropic 25228 1
4 '3D HNHA' 1 $sample_1 isotropic 25228 1
5 '3D BEST-HNCO' 1 $sample_1 isotropic 25228 1
6 '3D BEST-iHNCO' 1 $sample_1 isotropic 25228 1
7 '2D 1H-15N HSQC/HMQC' 1 $sample_1 isotropic 25228 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $CcpNmr_Analysis 1 $manual_assignment 25228 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 2 2 ASP HA H 1 4.678 . . 1 . 722 . . 2 ASP HA . 25228 1
2 . 1 1 2 2 ASP C C 13 175.903 . . 1 . 288 . . 2 ASP C . 25228 1
3 . 1 1 2 2 ASP CA C 13 54.248 0.017 . 1 . 470 . . 2 ASP CA . 25228 1
4 . 1 1 2 2 ASP CB C 13 41.548 0.001 . 1 . 471 . . 2 ASP CB . 25228 1
5 . 1 1 3 3 VAL H H 1 8.322 0.001 . 1 . 7 . . 3 VAL H . 25228 1
6 . 1 1 3 3 VAL HA H 1 4.000 . . 1 . 767 . . 3 VAL HA . 25228 1
7 . 1 1 3 3 VAL C C 13 175.967 0.002 . 1 . 289 . . 3 VAL C . 25228 1
8 . 1 1 3 3 VAL CA C 13 62.622 0.016 . 1 . 469 . . 3 VAL CA . 25228 1
9 . 1 1 3 3 VAL CB C 13 32.664 0.009 . 1 . 472 . . 3 VAL CB . 25228 1
10 . 1 1 3 3 VAL N N 15 120.590 0.019 . 1 . 8 . . 3 VAL N . 25228 1
11 . 1 1 4 4 PHE H H 1 8.424 0.001 . 1 . 105 . . 4 PHE H . 25228 1
12 . 1 1 4 4 PHE HA H 1 4.582 . . 1 . 749 . . 4 PHE HA . 25228 1
13 . 1 1 4 4 PHE C C 13 175.884 0.0 . 1 . 338 . . 4 PHE C . 25228 1
14 . 1 1 4 4 PHE CA C 13 58.029 0.005 . 1 . 621 . . 4 PHE CA . 25228 1
15 . 1 1 4 4 PHE CB C 13 39.379 0.02 . 1 . 622 . . 4 PHE CB . 25228 1
16 . 1 1 4 4 PHE N N 15 123.761 0.018 . 1 . 106 . . 4 PHE N . 25228 1
17 . 1 1 5 5 MET H H 1 8.279 0.001 . 1 . 193 . . 5 MET H . 25228 1
18 . 1 1 5 5 MET HA H 1 4.372 . . 1 . 752 . . 5 MET HA . 25228 1
19 . 1 1 5 5 MET C C 13 175.990 0.0 . 1 . 317 . . 5 MET C . 25228 1
20 . 1 1 5 5 MET CA C 13 55.360 0.023 . 1 . 603 . . 5 MET CA . 25228 1
21 . 1 1 5 5 MET CB C 13 32.705 0.008 . 1 . 602 . . 5 MET CB . 25228 1
22 . 1 1 5 5 MET N N 15 122.515 0.014 . 1 . 194 . . 5 MET N . 25228 1
23 . 1 1 6 6 LYS H H 1 8.341 0.001 . 1 . 125 . . 6 LYS H . 25228 1
24 . 1 1 6 6 LYS HA H 1 4.179 . . 1 . 804 . . 6 LYS HA . 25228 1
25 . 1 1 6 6 LYS C C 13 177.218 0.002 . 1 . 320 . . 6 LYS C . 25228 1
26 . 1 1 6 6 LYS CA C 13 57.040 . . 1 . 612 . . 6 LYS CA . 25228 1
27 . 1 1 6 6 LYS CB C 13 32.856 0.016 . 1 . 648 . . 6 LYS CB . 25228 1
28 . 1 1 6 6 LYS N N 15 122.793 0.009 . 1 . 126 . . 6 LYS N . 25228 1
29 . 1 1 7 7 GLY H H 1 8.495 0.001 . 1 . 638 . . 7 GLY H . 25228 1
30 . 1 1 7 7 GLY HA2 H 1 3.922 . . 1 . 738 . . 7 GLY HA2 . 25228 1
31 . 1 1 7 7 GLY C C 13 174.264 0.009 . 1 . 307 . . 7 GLY C . 25228 1
32 . 1 1 7 7 GLY CA C 13 45.351 0.008 . 1 . 512 . . 7 GLY CA . 25228 1
33 . 1 1 7 7 GLY N N 15 110.047 0.012 . 1 . 639 . . 7 GLY N . 25228 1
34 . 1 1 8 8 LEU H H 1 8.125 0.001 . 1 . 127 . . 8 LEU H . 25228 1
35 . 1 1 8 8 LEU HA H 1 4.361 . . 1 . 696 . . 8 LEU HA . 25228 1
36 . 1 1 8 8 LEU C C 13 177.738 0.006 . 1 . 308 . . 8 LEU C . 25228 1
37 . 1 1 8 8 LEU CA C 13 55.224 0.037 . 1 . 513 . . 8 LEU CA . 25228 1
38 . 1 1 8 8 LEU CB C 13 42.495 0.001 . 1 . 511 . . 8 LEU CB . 25228 1
39 . 1 1 8 8 LEU N N 15 121.651 0.013 . 1 . 128 . . 8 LEU N . 25228 1
40 . 1 1 9 9 SER H H 1 8.393 0.001 . 1 . 1 . . 9 SER H . 25228 1
41 . 1 1 9 9 SER HA H 1 4.393 . . 1 . 768 . . 9 SER HA . 25228 1
42 . 1 1 9 9 SER C C 13 174.643 . . 1 . 339 . . 9 SER C . 25228 1
43 . 1 1 9 9 SER CA C 13 58.472 0.008 . 1 . 401 . . 9 SER CA . 25228 1
44 . 1 1 9 9 SER CB C 13 63.776 0.01 . 1 . 402 . . 9 SER CB . 25228 1
45 . 1 1 9 9 SER N N 15 116.815 0.018 . 1 . 2 . . 9 SER N . 25228 1
46 . 1 1 10 10 LYS H H 1 8.440 0.002 . 1 . 221 . . 10 LYS H . 25228 1
47 . 1 1 10 10 LYS HA H 1 4.289 . . 1 . 785 . . 10 LYS HA . 25228 1
48 . 1 1 10 10 LYS C C 13 176.557 0.004 . 1 . 632 . . 10 LYS C . 25228 1
49 . 1 1 10 10 LYS CA C 13 56.359 0.011 . 1 . 528 . . 10 LYS CA . 25228 1
50 . 1 1 10 10 LYS CB C 13 32.842 0.14 . 1 . 529 . . 10 LYS CB . 25228 1
51 . 1 1 10 10 LYS N N 15 123.756 0.039 . 1 . 222 . . 10 LYS N . 25228 1
52 . 1 1 11 11 ALA H H 1 8.362 0.001 . 1 . 165 . . 11 ALA H . 25228 1
53 . 1 1 11 11 ALA HA H 1 4.239 . . 1 . 731 . . 11 ALA HA . 25228 1
54 . 1 1 11 11 ALA C C 13 178.003 0.004 . 1 . 355 . . 11 ALA C . 25228 1
55 . 1 1 11 11 ALA CA C 13 52.738 0.015 . 1 . 487 . . 11 ALA CA . 25228 1
56 . 1 1 11 11 ALA CB C 13 19.147 0.015 . 1 . 485 . . 11 ALA CB . 25228 1
57 . 1 1 11 11 ALA N N 15 125.379 0.025 . 1 . 166 . . 11 ALA N . 25228 1
58 . 1 1 12 12 LYS H H 1 8.406 0.001 . 1 . 29 . . 12 LYS H . 25228 1
59 . 1 1 12 12 LYS HA H 1 4.246 . . 1 . 812 . . 12 LYS HA . 25228 1
60 . 1 1 12 12 LYS C C 13 176.791 0.001 . 1 . 297 . . 12 LYS C . 25228 1
61 . 1 1 12 12 LYS CA C 13 56.531 . . 1 . 488 . . 12 LYS CA . 25228 1
62 . 1 1 12 12 LYS CB C 13 32.995 . . 1 . 486 . . 12 LYS CB . 25228 1
63 . 1 1 12 12 LYS N N 15 120.993 0.019 . 1 . 30 . . 12 LYS N . 25228 1
64 . 1 1 13 13 GLU H H 1 8.500 0.002 . 1 . 669 . . 13 GLU H . 25228 1
65 . 1 1 13 13 GLU HA H 1 4.234 . . 1 . 806 . . 13 GLU HA . 25228 1
66 . 1 1 13 13 GLU C C 13 177.116 0.001 . 1 . 659 . . 13 GLU C . 25228 1
67 . 1 1 13 13 GLU CA C 13 56.993 . . 1 . 666 . . 13 GLU CA . 25228 1
68 . 1 1 13 13 GLU CB C 13 30.331 . . 1 . 663 . . 13 GLU CB . 25228 1
69 . 1 1 13 13 GLU N N 15 122.335 0.015 . 1 . 670 . . 13 GLU N . 25228 1
70 . 1 1 14 14 GLY H H 1 8.529 0.001 . 1 . 642 . . 14 GLY H . 25228 1
71 . 1 1 14 14 GLY HA2 H 1 3.935 . . 1 . 717 . . 14 GLY HA2 . 25228 1
72 . 1 1 14 14 GLY C C 13 174.094 0.007 . 1 . 281 . . 14 GLY C . 25228 1
73 . 1 1 14 14 GLY CA C 13 45.336 0.004 . 1 . 457 . . 14 GLY CA . 25228 1
74 . 1 1 14 14 GLY N N 15 110.238 0.023 . 1 . 643 . . 14 GLY N . 25228 1
75 . 1 1 15 15 VAL H H 1 8.039 0.001 . 1 . 223 . . 15 VAL H . 25228 1
76 . 1 1 15 15 VAL HA H 1 4.069 . . 1 . 786 . . 15 VAL HA . 25228 1
77 . 1 1 15 15 VAL C C 13 176.562 0.007 . 1 . 282 . . 15 VAL C . 25228 1
78 . 1 1 15 15 VAL CA C 13 62.674 0.003 . 1 . 456 . . 15 VAL CA . 25228 1
79 . 1 1 15 15 VAL CB C 13 32.711 . . 1 . 458 . . 15 VAL CB . 25228 1
80 . 1 1 15 15 VAL N N 15 120.303 0.016 . 1 . 224 . . 15 VAL N . 25228 1
81 . 1 1 16 16 VAL H H 1 8.367 0.002 . 1 . 161 . . 16 VAL H . 25228 1
82 . 1 1 16 16 VAL HA H 1 4.041 . . 1 . 802 . . 16 VAL HA . 25228 1
83 . 1 1 16 16 VAL C C 13 176.085 0.001 . 1 . 356 . . 16 VAL C . 25228 1
84 . 1 1 16 16 VAL CA C 13 62.521 0.034 . 1 . 633 . . 16 VAL CA . 25228 1
85 . 1 1 16 16 VAL CB C 13 32.678 0.007 . 1 . 634 . . 16 VAL CB . 25228 1
86 . 1 1 16 16 VAL N N 15 125.478 0.016 . 1 . 162 . . 16 VAL N . 25228 1
87 . 1 1 17 17 ALA H H 1 8.520 0.001 . 1 . 33 . . 17 ALA H . 25228 1
88 . 1 1 17 17 ALA HA H 1 4.242 . . 1 . 770 . . 17 ALA HA . 25228 1
89 . 1 1 17 17 ALA C C 13 177.770 0.005 . 1 . 373 . . 17 ALA C . 25228 1
90 . 1 1 17 17 ALA CA C 13 52.606 0.003 . 1 . 578 . . 17 ALA CA . 25228 1
91 . 1 1 17 17 ALA CB C 13 19.099 0.004 . 1 . 577 . . 17 ALA CB . 25228 1
92 . 1 1 17 17 ALA N N 15 128.567 0.014 . 1 . 34 . . 17 ALA N . 25228 1
93 . 1 1 18 18 ALA H H 1 8.385 0.001 . 1 . 167 . . 18 ALA H . 25228 1
94 . 1 1 18 18 ALA HA H 1 4.209 . . 1 . 758 . . 18 ALA HA . 25228 1
95 . 1 1 18 18 ALA C C 13 177.998 0.007 . 1 . 340 . . 18 ALA C . 25228 1
96 . 1 1 18 18 ALA CA C 13 52.797 0.025 . 1 . 623 . . 18 ALA CA . 25228 1
97 . 1 1 18 18 ALA CB C 13 19.061 0.008 . 1 . 624 . . 18 ALA CB . 25228 1
98 . 1 1 18 18 ALA N N 15 123.803 0.017 . 1 . 168 . . 18 ALA N . 25228 1
99 . 1 1 19 19 ALA H H 1 8.345 0.001 . 1 . 91 . . 19 ALA H . 25228 1
100 . 1 1 19 19 ALA HA H 1 4.243 . . 1 . 714 . . 19 ALA HA . 25228 1
101 . 1 1 19 19 ALA C C 13 178.276 0.004 . 1 . 329 . . 19 ALA C . 25228 1
102 . 1 1 19 19 ALA CA C 13 52.806 0.008 . 1 . 450 . . 19 ALA CA . 25228 1
103 . 1 1 19 19 ALA CB C 13 19.078 0.001 . 1 . 452 . . 19 ALA CB . 25228 1
104 . 1 1 19 19 ALA N N 15 123.213 0.013 . 1 . 92 . . 19 ALA N . 25228 1
105 . 1 1 20 20 GLU H H 1 8.392 0.0 . 1 . 173 . . 20 GLU H . 25228 1
106 . 1 1 20 20 GLU HA H 1 4.206 . . 1 . 748 . . 20 GLU HA . 25228 1
107 . 1 1 20 20 GLU C C 13 176.982 0.0 . 1 . 278 . . 20 GLU C . 25228 1
108 . 1 1 20 20 GLU CA C 13 56.864 0.022 . 1 . 449 . . 20 GLU CA . 25228 1
109 . 1 1 20 20 GLU CB C 13 30.235 0.014 . 1 . 451 . . 20 GLU CB . 25228 1
110 . 1 1 20 20 GLU N N 15 120.209 0.019 . 1 . 174 . . 20 GLU N . 25228 1
111 . 1 1 21 21 LYS H H 1 8.401 0.001 . 1 . 137 . . 21 LYS H . 25228 1
112 . 1 1 21 21 LYS HA H 1 4.310 . . 1 . 690 . . 21 LYS HA . 25228 1
113 . 1 1 21 21 LYS C C 13 177.218 0.002 . 1 . 316 . . 21 LYS C . 25228 1
114 . 1 1 21 21 LYS CA C 13 56.832 0.002 . 1 . 591 . . 21 LYS CA . 25228 1
115 . 1 1 21 21 LYS CB C 13 32.898 0.007 . 1 . 590 . . 21 LYS CB . 25228 1
116 . 1 1 21 21 LYS N N 15 122.438 0.015 . 1 . 138 . . 21 LYS N . 25228 1
117 . 1 1 22 22 THR H H 1 8.217 0.0 . 1 . 153 . . 22 THR H . 25228 1
118 . 1 1 22 22 THR HA H 1 4.261 . . 1 . 769 . . 22 THR HA . 25228 1
119 . 1 1 22 22 THR C C 13 174.763 0.002 . 1 . 256 . . 22 THR C . 25228 1
120 . 1 1 22 22 THR CA C 13 62.413 0.011 . 1 . 583 . . 22 THR CA . 25228 1
121 . 1 1 22 22 THR CB C 13 69.867 0.024 . 1 . 584 . . 22 THR CB . 25228 1
122 . 1 1 22 22 THR N N 15 115.543 0.016 . 1 . 154 . . 22 THR N . 25228 1
123 . 1 1 23 23 LYS H H 1 8.424 0.001 . 1 . 145 . . 23 LYS H . 25228 1
124 . 1 1 23 23 LYS HA H 1 4.273 . . 1 . 741 . . 23 LYS HA . 25228 1
125 . 1 1 23 23 LYS C C 13 176.810 0.007 . 1 . 344 . . 23 LYS C . 25228 1
126 . 1 1 23 23 LYS CA C 13 56.809 0.036 . 1 . 535 . . 23 LYS CA . 25228 1
127 . 1 1 23 23 LYS CB C 13 32.921 0.058 . 1 . 534 . . 23 LYS CB . 25228 1
128 . 1 1 23 23 LYS N N 15 123.950 0.023 . 1 . 146 . . 23 LYS N . 25228 1
129 . 1 1 24 24 GLN H H 1 8.505 0.001 . 1 . 27 . . 24 GLN H . 25228 1
130 . 1 1 24 24 GLN HA H 1 4.276 . . 1 . 681 . . 24 GLN HA . 25228 1
131 . 1 1 24 24 GLN C C 13 176.683 0.003 . 1 . 321 . . 24 GLN C . 25228 1
132 . 1 1 24 24 GLN CA C 13 56.242 0.032 . 1 . 384 . . 24 GLN CA . 25228 1
133 . 1 1 24 24 GLN CB C 13 29.426 0.041 . 1 . 383 . . 24 GLN CB . 25228 1
134 . 1 1 24 24 GLN N N 15 121.810 0.034 . 1 . 28 . . 24 GLN N . 25228 1
135 . 1 1 25 25 GLY H H 1 8.548 0.001 . 1 . 11 . . 25 GLY H . 25228 1
136 . 1 1 25 25 GLY HA2 H 1 3.928 . . 2 . 709 . . 25 GLY HA2 . 25228 1
137 . 1 1 25 25 GLY HA3 H 1 3.973 . . 2 . 710 . . 25 GLY HA3 . 25228 1
138 . 1 1 25 25 GLY C C 13 174.345 0.01 . 1 . 247 . . 25 GLY C . 25228 1
139 . 1 1 25 25 GLY CA C 13 45.400 0.024 . 1 . 439 . . 25 GLY CA . 25228 1
140 . 1 1 25 25 GLY N N 15 110.654 0.035 . 1 . 12 . . 25 GLY N . 25228 1
141 . 1 1 26 26 VAL H H 1 8.085 0.001 . 1 . 195 . . 26 VAL H . 25228 1
142 . 1 1 26 26 VAL HA H 1 4.050 . . 1 . 796 . . 26 VAL HA . 25228 1
143 . 1 1 26 26 VAL C C 13 176.475 0.004 . 1 . 273 . . 26 VAL C . 25228 1
144 . 1 1 26 26 VAL CA C 13 62.684 0.012 . 1 . 438 . . 26 VAL CA . 25228 1
145 . 1 1 26 26 VAL CB C 13 32.747 0.057 . 1 . 437 . . 26 VAL CB . 25228 1
146 . 1 1 26 26 VAL N N 15 119.948 0.016 . 1 . 196 . . 26 VAL N . 25228 1
147 . 1 1 27 27 ALA H H 1 8.490 0.001 . 1 . 185 . . 27 ALA H . 25228 1
148 . 1 1 27 27 ALA HA H 1 4.266 . . 1 . 724 . . 27 ALA HA . 25228 1
149 . 1 1 27 27 ALA C C 13 178.235 0.002 . 1 . 366 . . 27 ALA C . 25228 1
150 . 1 1 27 27 ALA CA C 13 52.838 0.02 . 1 . 594 . . 27 ALA CA . 25228 1
151 . 1 1 27 27 ALA CB C 13 19.035 0.01 . 1 . 568 . . 27 ALA CB . 25228 1
152 . 1 1 27 27 ALA N N 15 127.498 0.019 . 1 . 186 . . 27 ALA N . 25228 1
153 . 1 1 28 28 GLU H H 1 8.469 0.001 . 1 . 121 . . 28 GLU H . 25228 1
154 . 1 1 28 28 GLU HA H 1 4.176 . . 1 . 782 . . 28 GLU HA . 25228 1
155 . 1 1 28 28 GLU C C 13 176.749 0.004 . 1 . 291 . . 28 GLU C . 25228 1
156 . 1 1 28 28 GLU CA C 13 56.950 0.047 . 1 . 476 . . 28 GLU CA . 25228 1
157 . 1 1 28 28 GLU CB C 13 30.242 0.017 . 1 . 475 . . 28 GLU CB . 25228 1
158 . 1 1 28 28 GLU N N 15 120.665 0.015 . 1 . 122 . . 28 GLU N . 25228 1
159 . 1 1 29 29 ALA H H 1 8.364 0.001 . 1 . 59 . . 29 ALA H . 25228 1
160 . 1 1 29 29 ALA HA H 1 4.241 . . 1 . 757 . . 29 ALA HA . 25228 1
161 . 1 1 29 29 ALA C C 13 177.823 0.008 . 1 . 352 . . 29 ALA C . 25228 1
162 . 1 1 29 29 ALA CA C 13 52.790 0.003 . 1 . 549 . . 29 ALA CA . 25228 1
163 . 1 1 29 29 ALA CB C 13 19.058 0.001 . 1 . 548 . . 29 ALA CB . 25228 1
164 . 1 1 29 29 ALA N N 15 125.025 0.028 . 1 . 60 . . 29 ALA N . 25228 1
165 . 1 1 30 30 ALA H H 1 8.304 0.001 . 1 . 35 . . 30 ALA H . 25228 1
166 . 1 1 30 30 ALA HA H 1 4.267 . . 1 . 674 . . 30 ALA HA . 25228 1
167 . 1 1 30 30 ALA C C 13 178.526 0.002 . 1 . 328 . . 30 ALA C . 25228 1
168 . 1 1 30 30 ALA CA C 13 52.869 0.025 . 1 . 629 . . 30 ALA CA . 25228 1
169 . 1 1 30 30 ALA CB C 13 19.073 0.005 . 1 . 630 . . 30 ALA CB . 25228 1
170 . 1 1 30 30 ALA N N 15 123.157 0.019 . 1 . 36 . . 30 ALA N . 25228 1
171 . 1 1 31 31 GLY H H 1 8.376 0.001 . 1 . 181 . . 31 GLY H . 25228 1
172 . 1 1 31 31 GLY HA2 H 1 3.905 . . 2 . 726 . . 31 GLY HA2 . 25228 1
173 . 1 1 31 31 GLY HA3 H 1 3.947 . . 2 . 727 . . 31 GLY HA3 . 25228 1
174 . 1 1 31 31 GLY C C 13 174.242 0.003 . 1 . 241 . . 31 GLY C . 25228 1
175 . 1 1 31 31 GLY CA C 13 45.356 0.012 . 1 . 374 . . 31 GLY CA . 25228 1
176 . 1 1 31 31 GLY N N 15 107.888 0.019 . 1 . 182 . . 31 GLY N . 25228 1
177 . 1 1 32 32 LYS H H 1 8.182 0.001 . 1 . 57 . . 32 LYS H . 25228 1
178 . 1 1 32 32 LYS HA H 1 4.399 . . 1 . 693 . . 32 LYS HA . 25228 1
179 . 1 1 32 32 LYS C C 13 177.070 0.0 . 1 . 294 . . 32 LYS C . 25228 1
180 . 1 1 32 32 LYS CA C 13 56.304 0.011 . 1 . 480 . . 32 LYS CA . 25228 1
181 . 1 1 32 32 LYS CB C 13 33.227 0.009 . 1 . 479 . . 32 LYS CB . 25228 1
182 . 1 1 32 32 LYS N N 15 120.829 0.014 . 1 . 58 . . 32 LYS N . 25228 1
183 . 1 1 33 33 THR H H 1 8.309 0.003 . 1 . 133 . . 33 THR H . 25228 1
184 . 1 1 33 33 THR HA H 1 4.325 . . 1 . 775 . . 33 THR HA . 25228 1
185 . 1 1 33 33 THR C C 13 174.711 0.008 . 1 . 259 . . 33 THR C . 25228 1
186 . 1 1 33 33 THR CA C 13 62.005 0.03 . 1 . 396 . . 33 THR CA . 25228 1
187 . 1 1 33 33 THR CB C 13 70.063 0.022 . 1 . 395 . . 33 THR CB . 25228 1
188 . 1 1 33 33 THR N N 15 115.815 0.047 . 1 . 134 . . 33 THR N . 25228 1
189 . 1 1 34 34 LYS H H 1 8.551 0.001 . 1 . 71 . . 34 LYS H . 25228 1
190 . 1 1 34 34 LYS C C 13 176.601 . . 1 . 346 . . 34 LYS C . 25228 1
191 . 1 1 34 34 LYS CA C 13 56.568 . . 1 . 626 . . 34 LYS CA . 25228 1
192 . 1 1 34 34 LYS CB C 13 32.978 . . 1 . 625 . . 34 LYS CB . 25228 1
193 . 1 1 34 34 LYS N N 15 124.021 0.038 . 1 . 72 . . 34 LYS N . 25228 1
194 . 1 1 35 35 GLU HA H 1 4.228 . . 1 . 808 . . 35 GLU HA . 25228 1
195 . 1 1 35 35 GLU C C 13 177.010 . . 1 . 658 . . 35 GLU C . 25228 1
196 . 1 1 35 35 GLU CA C 13 56.954 . . 1 . 667 . . 35 GLU CA . 25228 1
197 . 1 1 35 35 GLU CB C 13 30.215 . . 1 . 665 . . 35 GLU CB . 25228 1
198 . 1 1 36 36 GLY H H 1 8.516 0.001 . 1 . 640 . . 36 GLY H . 25228 1
199 . 1 1 36 36 GLY HA2 H 1 3.919 . . 2 . 707 . . 36 GLY HA2 . 25228 1
200 . 1 1 36 36 GLY HA3 H 1 3.952 . . 2 . 708 . . 36 GLY HA3 . 25228 1
201 . 1 1 36 36 GLY C C 13 174.063 0.007 . 1 . 271 . . 36 GLY C . 25228 1
202 . 1 1 36 36 GLY CA C 13 45.321 0.001 . 1 . 435 . . 36 GLY CA . 25228 1
203 . 1 1 36 36 GLY N N 15 110.147 0.017 . 1 . 641 . . 36 GLY N . 25228 1
204 . 1 1 37 37 VAL H H 1 7.976 0.001 . 1 . 23 . . 37 VAL H . 25228 1
205 . 1 1 37 37 VAL HA H 1 4.044 . . 1 . 792 . . 37 VAL HA . 25228 1
206 . 1 1 37 37 VAL C C 13 175.991 0.0 . 1 . 272 . . 37 VAL C . 25228 1
207 . 1 1 37 37 VAL CA C 13 62.378 0.01 . 1 . 434 . . 37 VAL CA . 25228 1
208 . 1 1 37 37 VAL CB C 13 32.791 0.052 . 1 . 560 . . 37 VAL CB . 25228 1
209 . 1 1 37 37 VAL N N 15 119.713 0.022 . 1 . 24 . . 37 VAL N . 25228 1
210 . 1 1 38 38 LEU H H 1 8.358 0.001 . 1 . 143 . . 38 LEU H . 25228 1
211 . 1 1 38 38 LEU HA H 1 4.323 . . 1 . 750 . . 38 LEU HA . 25228 1
212 . 1 1 38 38 LEU C C 13 176.715 0.012 . 1 . 362 . . 38 LEU C . 25228 1
213 . 1 1 38 38 LEU CA C 13 55.089 0.065 . 1 . 562 . . 38 LEU CA . 25228 1
214 . 1 1 38 38 LEU CB C 13 42.471 0.013 . 1 . 561 . . 38 LEU CB . 25228 1
215 . 1 1 38 38 LEU N N 15 125.998 0.017 . 1 . 144 . . 38 LEU N . 25228 1
216 . 1 1 39 39 TYR H H 1 8.347 0.001 . 1 . 135 . . 39 TYR H . 25228 1
217 . 1 1 39 39 TYR HA H 1 4.557 . . 1 . 766 . . 39 TYR HA . 25228 1
218 . 1 1 39 39 TYR C C 13 175.622 0.004 . 1 . 318 . . 39 TYR C . 25228 1
219 . 1 1 39 39 TYR CA C 13 57.992 0.019 . 1 . 611 . . 39 TYR CA . 25228 1
220 . 1 1 39 39 TYR CB C 13 38.861 0.029 . 1 . 610 . . 39 TYR CB . 25228 1
221 . 1 1 39 39 TYR N N 15 122.665 0.019 . 1 . 136 . . 39 TYR N . 25228 1
222 . 1 1 40 40 VAL H H 1 8.149 0.001 . 1 . 53 . . 40 VAL H . 25228 1
223 . 1 1 40 40 VAL HA H 1 4.036 . . 1 . 686 . . 40 VAL HA . 25228 1
224 . 1 1 40 40 VAL C C 13 176.173 0.0 . 1 . 337 . . 40 VAL C . 25228 1
225 . 1 1 40 40 VAL CA C 13 62.221 0.006 . 1 . 527 . . 40 VAL CA . 25228 1
226 . 1 1 40 40 VAL CB C 13 32.839 0.019 . 1 . 526 . . 40 VAL CB . 25228 1
227 . 1 1 40 40 VAL N N 15 123.606 0.015 . 1 . 54 . . 40 VAL N . 25228 1
228 . 1 1 41 41 GLY H H 1 8.098 0.001 . 1 . 47 . . 41 GLY H . 25228 1
229 . 1 1 41 41 GLY HA2 H 1 3.914 . . 1 . 692 . . 41 GLY HA2 . 25228 1
230 . 1 1 41 41 GLY C C 13 173.981 0.002 . 1 . 252 . . 41 GLY C . 25228 1
231 . 1 1 41 41 GLY CA C 13 45.209 0.034 . 1 . 388 . . 41 GLY CA . 25228 1
232 . 1 1 41 41 GLY N N 15 112.299 0.02 . 1 . 48 . . 41 GLY N . 25228 1
233 . 1 1 42 42 SER H H 1 8.334 0.002 . 1 . 41 . . 42 SER H . 25228 1
234 . 1 1 42 42 SER HA H 1 4.429 . . 1 . 765 . . 42 SER HA . 25228 1
235 . 1 1 42 42 SER C C 13 174.827 . . 1 . 336 . . 42 SER C . 25228 1
236 . 1 1 42 42 SER CA C 13 58.472 0.002 . 1 . 393 . . 42 SER CA . 25228 1
237 . 1 1 42 42 SER CB C 13 63.908 0.007 . 1 . 394 . . 42 SER CB . 25228 1
238 . 1 1 42 42 SER N N 15 115.731 0.015 . 1 . 42 . . 42 SER N . 25228 1
239 . 1 1 43 43 LYS H H 1 8.561 0.001 . 1 . 157 . . 43 LYS H . 25228 1
240 . 1 1 43 43 LYS HA H 1 4.407 . . 1 . 691 . . 43 LYS HA . 25228 1
241 . 1 1 43 43 LYS C C 13 176.935 . . 1 . 257 . . 43 LYS C . 25228 1
242 . 1 1 43 43 LYS CA C 13 56.515 0.013 . 1 . 525 . . 43 LYS CA . 25228 1
243 . 1 1 43 43 LYS CB C 13 33.079 0.015 . 1 . 524 . . 43 LYS CB . 25228 1
244 . 1 1 43 43 LYS N N 15 123.587 0.015 . 1 . 158 . . 43 LYS N . 25228 1
245 . 1 1 44 44 THR H H 1 8.260 0.001 . 1 . 209 . . 44 THR H . 25228 1
246 . 1 1 44 44 THR HA H 1 4.301 . . 1 . 774 . . 44 THR HA . 25228 1
247 . 1 1 44 44 THR C C 13 174.649 0.002 . 1 . 258 . . 44 THR C . 25228 1
248 . 1 1 44 44 THR CA C 13 61.999 0.013 . 1 . 582 . . 44 THR CA . 25228 1
249 . 1 1 44 44 THR CB C 13 69.981 0.002 . 1 . 581 . . 44 THR CB . 25228 1
250 . 1 1 44 44 THR N N 15 115.636 0.021 . 1 . 210 . . 44 THR N . 25228 1
251 . 1 1 45 45 LYS H H 1 8.507 0.001 . 1 . 207 . . 45 LYS H . 25228 1
252 . 1 1 45 45 LYS C C 13 176.589 . . 1 . 345 . . 45 LYS C . 25228 1
253 . 1 1 45 45 LYS CA C 13 56.564 . . 1 . 537 . . 45 LYS CA . 25228 1
254 . 1 1 45 45 LYS CB C 13 32.958 . . 1 . 536 . . 45 LYS CB . 25228 1
255 . 1 1 45 45 LYS N N 15 123.954 0.024 . 1 . 208 . . 45 LYS N . 25228 1
256 . 1 1 46 46 GLU HA H 1 4.232 . . 1 . 809 . . 46 GLU HA . 25228 1
257 . 1 1 46 46 GLU C C 13 177.010 . . 1 . 660 . . 46 GLU C . 25228 1
258 . 1 1 46 46 GLU CA C 13 56.970 . . 1 . 668 . . 46 GLU CA . 25228 1
259 . 1 1 46 46 GLU CB C 13 30.215 . . 1 . 664 . . 46 GLU CB . 25228 1
260 . 1 1 47 47 GLY H H 1 8.506 0.002 . 1 . 646 . . 47 GLY H . 25228 1
261 . 1 1 47 47 GLY HA2 H 1 3.924 . . 1 . 712 . . 47 GLY HA2 . 25228 1
262 . 1 1 47 47 GLY C C 13 173.935 0.005 . 1 . 275 . . 47 GLY C . 25228 1
263 . 1 1 47 47 GLY CA C 13 45.293 0.003 . 1 . 445 . . 47 GLY CA . 25228 1
264 . 1 1 47 47 GLY N N 15 110.221 0.013 . 1 . 647 . . 47 GLY N . 25228 1
265 . 1 1 48 48 VAL H H 1 8.000 0.001 . 1 . 63 . . 48 VAL H . 25228 1
266 . 1 1 48 48 VAL HA H 1 4.103 . . 1 . 791 . . 48 VAL HA . 25228 1
267 . 1 1 48 48 VAL C C 13 176.335 0.004 . 1 . 276 . . 48 VAL C . 25228 1
268 . 1 1 48 48 VAL CA C 13 62.379 . . 1 . 446 . . 48 VAL CA . 25228 1
269 . 1 1 48 48 VAL CB C 13 32.829 0.003 . 1 . 444 . . 48 VAL CB . 25228 1
270 . 1 1 48 48 VAL N N 15 120.137 0.013 . 1 . 64 . . 48 VAL N . 25228 1
271 . 1 1 49 49 VAL H H 1 8.455 0.001 . 1 . 217 . . 49 VAL H . 25228 1
272 . 1 1 49 49 VAL HA H 1 4.071 . . 1 . 789 . . 49 VAL HA . 25228 1
273 . 1 1 49 49 VAL C C 13 176.129 0.001 . 1 . 361 . . 49 VAL C . 25228 1
274 . 1 1 49 49 VAL CA C 13 62.424 0.036 . 1 . 559 . . 49 VAL CA . 25228 1
275 . 1 1 49 49 VAL CB C 13 32.702 0.028 . 1 . 558 . . 49 VAL CB . 25228 1
276 . 1 1 49 49 VAL N N 15 125.894 0.034 . 1 . 218 . . 49 VAL N . 25228 1
277 . 1 1 50 50 GLN H H 1 8.669 0.001 . 1 . 213 . . 50 GLN H . 25228 1
278 . 1 1 50 50 GLN HA H 1 4.301 . . 1 . 684 . . 50 GLN HA . 25228 1
279 . 1 1 50 50 GLN C C 13 176.332 0.001 . 1 . 359 . . 50 GLN C . 25228 1
280 . 1 1 50 50 GLN CA C 13 55.910 0.008 . 1 . 386 . . 50 GLN CA . 25228 1
281 . 1 1 50 50 GLN CB C 13 29.609 0.016 . 1 . 385 . . 50 GLN CB . 25228 1
282 . 1 1 50 50 GLN N N 15 125.619 0.018 . 1 . 214 . . 50 GLN N . 25228 1
283 . 1 1 51 51 GLY H H 1 8.560 0.001 . 1 . 183 . . 51 GLY H . 25228 1
284 . 1 1 51 51 GLY HA2 H 1 3.916 . . 2 . 704 . . 51 GLY HA2 . 25228 1
285 . 1 1 51 51 GLY HA3 H 1 3.964 . . 2 . 705 . . 51 GLY HA3 . 25228 1
286 . 1 1 51 51 GLY C C 13 173.880 0.004 . 1 . 250 . . 51 GLY C . 25228 1
287 . 1 1 51 51 GLY CA C 13 45.249 0.03 . 1 . 431 . . 51 GLY CA . 25228 1
288 . 1 1 51 51 GLY N N 15 110.955 0.033 . 1 . 184 . . 51 GLY N . 25228 1
289 . 1 1 52 52 VAL H H 1 8.099 0.002 . 1 . 83 . . 52 VAL H . 25228 1
290 . 1 1 52 52 VAL HA H 1 4.111 . . 1 . 801 . . 52 VAL HA . 25228 1
291 . 1 1 52 52 VAL C C 13 176.018 0.006 . 1 . 269 . . 52 VAL C . 25228 1
292 . 1 1 52 52 VAL CA C 13 62.131 0.009 . 1 . 430 . . 52 VAL CA . 25228 1
293 . 1 1 52 52 VAL CB C 13 32.930 0.012 . 1 . 429 . . 52 VAL CB . 25228 1
294 . 1 1 52 52 VAL N N 15 119.674 0.045 . 1 . 84 . . 52 VAL N . 25228 1
295 . 1 1 53 53 ALA H H 1 8.559 0.001 . 1 . 235 . . 53 ALA H . 25228 1
296 . 1 1 53 53 ALA HA H 1 4.379 . . 1 . 689 . . 53 ALA HA . 25228 1
297 . 1 1 53 53 ALA C C 13 177.912 0.005 . 1 . 372 . . 53 ALA C . 25228 1
298 . 1 1 53 53 ALA CA C 13 52.475 0.007 . 1 . 576 . . 53 ALA CA . 25228 1
299 . 1 1 53 53 ALA CB C 13 19.287 0.001 . 1 . 575 . . 53 ALA CB . 25228 1
300 . 1 1 53 53 ALA N N 15 128.334 0.014 . 1 . 236 . . 53 ALA N . 25228 1
301 . 1 1 54 54 THR H H 1 8.301 0.001 . 1 . 179 . . 54 THR H . 25228 1
302 . 1 1 54 54 THR HA H 1 4.296 . . 1 . 761 . . 54 THR HA . 25228 1
303 . 1 1 54 54 THR C C 13 174.591 0.001 . 1 . 255 . . 54 THR C . 25228 1
304 . 1 1 54 54 THR CA C 13 61.975 0.016 . 1 . 391 . . 54 THR CA . 25228 1
305 . 1 1 54 54 THR CB C 13 70.014 0.011 . 1 . 392 . . 54 THR CB . 25228 1
306 . 1 1 54 54 THR N N 15 115.069 0.018 . 1 . 180 . . 54 THR N . 25228 1
307 . 1 1 55 55 VAL H H 1 8.319 0.001 . 1 . 15 . . 55 VAL H . 25228 1
308 . 1 1 55 55 VAL HA H 1 4.070 . . 1 . 799 . . 55 VAL HA . 25228 1
309 . 1 1 55 55 VAL C C 13 175.926 0.0 . 1 . 332 . . 55 VAL C . 25228 1
310 . 1 1 55 55 VAL CA C 13 62.348 0.016 . 1 . 618 . . 55 VAL CA . 25228 1
311 . 1 1 55 55 VAL CB C 13 32.853 0.011 . 1 . 617 . . 55 VAL CB . 25228 1
312 . 1 1 55 55 VAL N N 15 123.328 0.017 . 1 . 16 . . 55 VAL N . 25228 1
313 . 1 1 56 56 ALA H H 1 8.498 0.002 . 1 . 87 . . 56 ALA H . 25228 1
314 . 1 1 56 56 ALA HA H 1 4.270 . . 1 . 732 . . 56 ALA HA . 25228 1
315 . 1 1 56 56 ALA C C 13 177.846 . . 1 . 369 . . 56 ALA C . 25228 1
316 . 1 1 56 56 ALA CA C 13 52.571 0.02 . 1 . 574 . . 56 ALA CA . 25228 1
317 . 1 1 56 56 ALA CB C 13 19.234 0.005 . 1 . 573 . . 56 ALA CB . 25228 1
318 . 1 1 56 56 ALA N N 15 128.295 0.011 . 1 . 88 . . 56 ALA N . 25228 1
319 . 1 1 57 57 GLU H H 1 8.447 0.001 . 1 . 89 . . 57 GLU H . 25228 1
320 . 1 1 57 57 GLU HA H 1 4.199 . . 1 . 756 . . 57 GLU HA . 25228 1
321 . 1 1 57 57 GLU C C 13 176.764 0.01 . 1 . 298 . . 57 GLU C . 25228 1
322 . 1 1 57 57 GLU CA C 13 56.691 0.03 . 1 . 490 . . 57 GLU CA . 25228 1
323 . 1 1 57 57 GLU CB C 13 30.377 0.011 . 1 . 489 . . 57 GLU CB . 25228 1
324 . 1 1 57 57 GLU N N 15 121.034 0.015 . 1 . 90 . . 57 GLU N . 25228 1
325 . 1 1 58 58 LYS H H 1 8.506 0.001 . 1 . 65 . . 58 LYS H . 25228 1
326 . 1 1 58 58 LYS HA H 1 4.339 . . 1 . 695 . . 58 LYS HA . 25228 1
327 . 1 1 58 58 LYS C C 13 177.028 0.002 . 1 . 597 . . 58 LYS C . 25228 1
328 . 1 1 58 58 LYS CA C 13 56.559 0.021 . 1 . 399 . . 58 LYS CA . 25228 1
329 . 1 1 58 58 LYS CB C 13 33.054 0.011 . 1 . 400 . . 58 LYS CB . 25228 1
330 . 1 1 58 58 LYS N N 15 123.003 0.031 . 1 . 66 . . 58 LYS N . 25228 1
331 . 1 1 59 59 THR H H 1 8.292 0.001 . 1 . 189 . . 59 THR H . 25228 1
332 . 1 1 59 59 THR HA H 1 4.266 . . 1 . 773 . . 59 THR HA . 25228 1
333 . 1 1 59 59 THR C C 13 174.677 0.001 . 1 . 260 . . 59 THR C . 25228 1
334 . 1 1 59 59 THR CA C 13 62.223 0.012 . 1 . 397 . . 59 THR CA . 25228 1
335 . 1 1 59 59 THR CB C 13 69.865 0.011 . 1 . 398 . . 59 THR CB . 25228 1
336 . 1 1 59 59 THR N N 15 116.191 0.021 . 1 . 190 . . 59 THR N . 25228 1
337 . 1 1 60 60 LYS H H 1 8.460 0.001 . 1 . 93 . . 60 LYS H . 25228 1
338 . 1 1 60 60 LYS HA H 1 4.269 . . 1 . 811 . . 60 LYS HA . 25228 1
339 . 1 1 60 60 LYS C C 13 176.756 0.0 . 1 . 343 . . 60 LYS C . 25228 1
340 . 1 1 60 60 LYS CA C 13 56.673 . . 1 . 533 . . 60 LYS CA . 25228 1
341 . 1 1 60 60 LYS CB C 13 32.998 0.01 . 1 . 532 . . 60 LYS CB . 25228 1
342 . 1 1 60 60 LYS N N 15 123.881 0.023 . 1 . 94 . . 60 LYS N . 25228 1
343 . 1 1 61 61 GLU H H 1 8.504 0.001 . 1 . 651 . . 61 GLU H . 25228 1
344 . 1 1 61 61 GLU HA H 1 4.210 . . 1 . 742 . . 61 GLU HA . 25228 1
345 . 1 1 61 61 GLU C C 13 176.482 0.007 . 1 . 322 . . 61 GLU C . 25228 1
346 . 1 1 61 61 GLU CA C 13 56.839 . . 1 . 613 . . 61 GLU CA . 25228 1
347 . 1 1 61 61 GLU CB C 13 30.210 . . 1 . 614 . . 61 GLU CB . 25228 1
348 . 1 1 61 61 GLU N N 15 122.303 0.023 . 1 . 652 . . 61 GLU N . 25228 1
349 . 1 1 62 62 GLN H H 1 8.495 0.001 . 1 . 51 . . 62 GLN H . 25228 1
350 . 1 1 62 62 GLN HA H 1 4.326 . . 1 . 746 . . 62 GLN HA . 25228 1
351 . 1 1 62 62 GLN C C 13 176.033 0.005 . 1 . 323 . . 62 GLN C . 25228 1
352 . 1 1 62 62 GLN CA C 13 55.833 0.026 . 1 . 589 . . 62 GLN CA . 25228 1
353 . 1 1 62 62 GLN CB C 13 29.545 0.019 . 1 . 588 . . 62 GLN CB . 25228 1
354 . 1 1 62 62 GLN N N 15 121.977 0.03 . 1 . 52 . . 62 GLN N . 25228 1
355 . 1 1 63 63 VAL H H 1 8.365 0.001 . 1 . 211 . . 63 VAL H . 25228 1
356 . 1 1 63 63 VAL HA H 1 4.168 . . 1 . 699 . . 63 VAL HA . 25228 1
357 . 1 1 63 63 VAL C C 13 176.415 0.001 . 1 . 315 . . 63 VAL C . 25228 1
358 . 1 1 63 63 VAL CA C 13 62.430 0.055 . 1 . 413 . . 63 VAL CA . 25228 1
359 . 1 1 63 63 VAL CB C 13 32.794 0.038 . 1 . 416 . . 63 VAL CB . 25228 1
360 . 1 1 63 63 VAL N N 15 122.160 0.021 . 1 . 212 . . 63 VAL N . 25228 1
361 . 1 1 64 64 THR H H 1 8.375 0.001 . 1 . 169 . . 64 THR H . 25228 1
362 . 1 1 64 64 THR HA H 1 4.348 . . 1 . 743 . . 64 THR HA . 25228 1
363 . 1 1 64 64 THR C C 13 174.101 0.009 . 1 . 585 . . 64 THR C . 25228 1
364 . 1 1 64 64 THR CA C 13 61.935 0.056 . 1 . 414 . . 64 THR CA . 25228 1
365 . 1 1 64 64 THR CB C 13 69.947 0.008 . 1 . 415 . . 64 THR CB . 25228 1
366 . 1 1 64 64 THR N N 15 118.302 0.021 . 1 . 170 . . 64 THR N . 25228 1
367 . 1 1 65 65 ASN H H 1 8.594 0.001 . 1 . 103 . . 65 ASN H . 25228 1
368 . 1 1 65 65 ASN HA H 1 4.755 . . 1 . 730 . . 65 ASN HA . 25228 1
369 . 1 1 65 65 ASN C C 13 175.306 . . 1 . 295 . . 65 ASN C . 25228 1
370 . 1 1 65 65 ASN CA C 13 53.181 0.035 . 1 . 483 . . 65 ASN CA . 25228 1
371 . 1 1 65 65 ASN CB C 13 38.939 0.013 . 1 . 482 . . 65 ASN CB . 25228 1
372 . 1 1 65 65 ASN N N 15 121.958 0.016 . 1 . 104 . . 65 ASN N . 25228 1
373 . 1 1 66 66 VAL H H 1 8.314 0.001 . 1 . 233 . . 66 VAL H . 25228 1
374 . 1 1 66 66 VAL HA H 1 4.101 . . 1 . 687 . . 66 VAL HA . 25228 1
375 . 1 1 66 66 VAL C C 13 176.936 0.002 . 1 . 296 . . 66 VAL C . 25228 1
376 . 1 1 66 66 VAL CA C 13 62.721 0.017 . 1 . 484 . . 66 VAL CA . 25228 1
377 . 1 1 66 66 VAL CB C 13 32.500 0.01 . 1 . 481 . . 66 VAL CB . 25228 1
378 . 1 1 66 66 VAL N N 15 120.881 0.022 . 1 . 234 . . 66 VAL N . 25228 1
379 . 1 1 67 67 GLY H H 1 8.629 0.001 . 1 . 55 . . 67 GLY H . 25228 1
380 . 1 1 67 67 GLY HA2 H 1 3.938 . . 2 . 677 . . 67 GLY HA2 . 25228 1
381 . 1 1 67 67 GLY HA3 H 1 3.963 . . 2 . 678 . . 67 GLY HA3 . 25228 1
382 . 1 1 67 67 GLY C C 13 174.713 0.006 . 1 . 253 . . 67 GLY C . 25228 1
383 . 1 1 67 67 GLY CA C 13 45.357 0.008 . 1 . 389 . . 67 GLY CA . 25228 1
384 . 1 1 67 67 GLY N N 15 112.768 0.023 . 1 . 56 . . 67 GLY N . 25228 1
385 . 1 1 68 68 GLY H H 1 8.299 0.001 . 1 . 49 . . 68 GLY H . 25228 1
386 . 1 1 68 68 GLY HA2 H 1 3.929 . . 1 . 771 . . 68 GLY HA2 . 25228 1
387 . 1 1 68 68 GLY C C 13 173.772 0.002 . 1 . 244 . . 68 GLY C . 25228 1
388 . 1 1 68 68 GLY CA C 13 45.073 0.02 . 1 . 377 . . 68 GLY CA . 25228 1
389 . 1 1 68 68 GLY N N 15 108.928 0.013 . 1 . 50 . . 68 GLY N . 25228 1
390 . 1 1 69 69 ALA H H 1 8.232 0.001 . 1 . 111 . . 69 ALA H . 25228 1
391 . 1 1 69 69 ALA HA H 1 4.328 . . 1 . 725 . . 69 ALA HA . 25228 1
392 . 1 1 69 69 ALA C C 13 177.725 0.003 . 1 . 341 . . 69 ALA C . 25228 1
393 . 1 1 69 69 ALA CA C 13 52.341 0.003 . 1 . 531 . . 69 ALA CA . 25228 1
394 . 1 1 69 69 ALA CB C 13 19.341 0.01 . 1 . 530 . . 69 ALA CB . 25228 1
395 . 1 1 69 69 ALA N N 15 123.846 0.031 . 1 . 112 . . 69 ALA N . 25228 1
396 . 1 1 70 70 VAL H H 1 8.291 0.001 . 1 . 67 . . 70 VAL H . 25228 1
397 . 1 1 70 70 VAL HA H 1 4.071 . . 1 . 790 . . 70 VAL HA . 25228 1
398 . 1 1 70 70 VAL C C 13 176.399 0.0 . 1 . 292 . . 70 VAL C . 25228 1
399 . 1 1 70 70 VAL CA C 13 62.469 0.004 . 1 . 478 . . 70 VAL CA . 25228 1
400 . 1 1 70 70 VAL CB C 13 32.720 0.018 . 1 . 477 . . 70 VAL CB . 25228 1
401 . 1 1 70 70 VAL N N 15 120.675 0.02 . 1 . 68 . . 70 VAL N . 25228 1
402 . 1 1 71 71 VAL H H 1 8.469 0.001 . 1 . 25 . . 71 VAL H . 25228 1
403 . 1 1 71 71 VAL HA H 1 4.199 . . 1 . 700 . . 71 VAL HA . 25228 1
404 . 1 1 71 71 VAL C C 13 176.344 0.005 . 1 . 360 . . 71 VAL C . 25228 1
405 . 1 1 71 71 VAL CA C 13 62.208 0.005 . 1 . 628 . . 71 VAL CA . 25228 1
406 . 1 1 71 71 VAL CB C 13 32.826 0.008 . 1 . 418 . . 71 VAL CB . 25228 1
407 . 1 1 71 71 VAL N N 15 125.678 0.021 . 1 . 26 . . 71 VAL N . 25228 1
408 . 1 1 72 72 THR H H 1 8.385 0.001 . 1 . 175 . . 72 THR H . 25228 1
409 . 1 1 72 72 THR HA H 1 4.346 . . 1 . 685 . . 72 THR HA . 25228 1
410 . 1 1 72 72 THR C C 13 174.957 0.003 . 1 . 264 . . 72 THR C . 25228 1
411 . 1 1 72 72 THR CA C 13 61.964 0.012 . 1 . 417 . . 72 THR CA . 25228 1
412 . 1 1 72 72 THR CB C 13 69.937 0.018 . 1 . 419 . . 72 THR CB . 25228 1
413 . 1 1 72 72 THR N N 15 118.891 0.028 . 1 . 176 . . 72 THR N . 25228 1
414 . 1 1 73 73 GLY H H 1 8.510 0.001 . 1 . 237 . . 73 GLY H . 25228 1
415 . 1 1 73 73 GLY HA2 H 1 3.973 . . 1 . 706 . . 73 GLY HA2 . 25228 1
416 . 1 1 73 73 GLY C C 13 174.063 0.008 . 1 . 251 . . 73 GLY C . 25228 1
417 . 1 1 73 73 GLY CA C 13 45.285 0.005 . 1 . 387 . . 73 GLY CA . 25228 1
418 . 1 1 73 73 GLY N N 15 111.491 0.017 . 1 . 238 . . 73 GLY N . 25228 1
419 . 1 1 74 74 VAL H H 1 8.153 0.001 . 1 . 139 . . 74 VAL H . 25228 1
420 . 1 1 74 74 VAL HA H 1 4.166 . . 1 . 701 . . 74 VAL HA . 25228 1
421 . 1 1 74 74 VAL C C 13 176.629 0.008 . 1 . 270 . . 74 VAL C . 25228 1
422 . 1 1 74 74 VAL CA C 13 62.414 0.027 . 1 . 433 . . 74 VAL CA . 25228 1
423 . 1 1 74 74 VAL CB C 13 32.884 0.003 . 1 . 420 . . 74 VAL CB . 25228 1
424 . 1 1 74 74 VAL N N 15 119.674 0.015 . 1 . 140 . . 74 VAL N . 25228 1
425 . 1 1 75 75 THR H H 1 8.376 0.001 . 1 . 155 . . 75 THR H . 25228 1
426 . 1 1 75 75 THR HA H 1 4.292 . . 1 . 797 . . 75 THR HA . 25228 1
427 . 1 1 75 75 THR C C 13 174.129 0.009 . 1 . 268 . . 75 THR C . 25228 1
428 . 1 1 75 75 THR CA C 13 62.048 0.041 . 1 . 421 . . 75 THR CA . 25228 1
429 . 1 1 75 75 THR CB C 13 69.818 0.021 . 1 . 422 . . 75 THR CB . 25228 1
430 . 1 1 75 75 THR N N 15 119.228 0.009 . 1 . 156 . . 75 THR N . 25228 1
431 . 1 1 76 76 ALA H H 1 8.446 0.001 . 1 . 199 . . 76 ALA H . 25228 1
432 . 1 1 76 76 ALA HA H 1 4.323 . . 1 . 716 . . 76 ALA HA . 25228 1
433 . 1 1 76 76 ALA C C 13 177.635 0.001 . 1 . 367 . . 76 ALA C . 25228 1
434 . 1 1 76 76 ALA CA C 13 52.492 0.007 . 1 . 570 . . 76 ALA CA . 25228 1
435 . 1 1 76 76 ALA CB C 13 19.287 0.002 . 1 . 569 . . 76 ALA CB . 25228 1
436 . 1 1 76 76 ALA N N 15 127.580 0.015 . 1 . 200 . . 76 ALA N . 25228 1
437 . 1 1 77 77 VAL H H 1 8.222 0.001 . 1 . 159 . . 77 VAL H . 25228 1
438 . 1 1 77 77 VAL HA H 1 4.025 . . 1 . 800 . . 77 VAL HA . 25228 1
439 . 1 1 77 77 VAL C C 13 176.084 0.002 . 1 . 280 . . 77 VAL C . 25228 1
440 . 1 1 77 77 VAL CA C 13 62.270 0.011 . 1 . 592 . . 77 VAL CA . 25228 1
441 . 1 1 77 77 VAL CB C 13 32.850 0.011 . 1 . 593 . . 77 VAL CB . 25228 1
442 . 1 1 77 77 VAL N N 15 120.288 0.017 . 1 . 160 . . 77 VAL N . 25228 1
443 . 1 1 78 78 ALA H H 1 8.483 0.001 . 1 . 9 . . 78 ALA H . 25228 1
444 . 1 1 78 78 ALA HA H 1 4.276 . . 1 . 721 . . 78 ALA HA . 25228 1
445 . 1 1 78 78 ALA C C 13 177.704 0.007 . 1 . 371 . . 78 ALA C . 25228 1
446 . 1 1 78 78 ALA CA C 13 52.576 0.012 . 1 . 579 . . 78 ALA CA . 25228 1
447 . 1 1 78 78 ALA CB C 13 19.101 0.053 . 1 . 468 . . 78 ALA CB . 25228 1
448 . 1 1 78 78 ALA N N 15 128.351 0.007 . 1 . 10 . . 78 ALA N . 25228 1
449 . 1 1 79 79 GLN H H 1 8.465 0.0 . 1 . 113 . . 79 GLN H . 25228 1
450 . 1 1 79 79 GLN HA H 1 4.267 . . 1 . 762 . . 79 GLN HA . 25228 1
451 . 1 1 79 79 GLN C C 13 176.007 0.002 . 1 . 287 . . 79 GLN C . 25228 1
452 . 1 1 79 79 GLN CA C 13 55.791 0.047 . 1 . 466 . . 79 GLN CA . 25228 1
453 . 1 1 79 79 GLN CB C 13 29.647 0.021 . 1 . 467 . . 79 GLN CB . 25228 1
454 . 1 1 79 79 GLN N N 15 120.491 0.022 . 1 . 114 . . 79 GLN N . 25228 1
455 . 1 1 80 80 LYS H H 1 8.508 0.001 . 1 . 97 . . 80 LYS H . 25228 1
456 . 1 1 80 80 LYS HA H 1 4.349 . . 1 . 698 . . 80 LYS HA . 25228 1
457 . 1 1 80 80 LYS C C 13 176.760 0.006 . 1 . 333 . . 80 LYS C . 25228 1
458 . 1 1 80 80 LYS CA C 13 56.462 0.05 . 1 . 409 . . 80 LYS CA . 25228 1
459 . 1 1 80 80 LYS CB C 13 33.159 0.034 . 1 . 410 . . 80 LYS CB . 25228 1
460 . 1 1 80 80 LYS N N 15 123.437 0.027 . 1 . 98 . . 80 LYS N . 25228 1
461 . 1 1 81 81 THR H H 1 8.365 0.001 . 1 . 115 . . 81 THR H . 25228 1
462 . 1 1 81 81 THR HA H 1 4.326 . . 1 . 759 . . 81 THR HA . 25228 1
463 . 1 1 81 81 THR C C 13 174.488 0.001 . 1 . 263 . . 81 THR C . 25228 1
464 . 1 1 81 81 THR CA C 13 62.000 0.024 . 1 . 407 . . 81 THR CA . 25228 1
465 . 1 1 81 81 THR CB C 13 69.970 0.002 . 1 . 408 . . 81 THR CB . 25228 1
466 . 1 1 81 81 THR N N 15 117.092 0.021 . 1 . 116 . . 81 THR N . 25228 1
467 . 1 1 82 82 VAL H H 1 8.378 0.001 . 1 . 149 . . 82 VAL H . 25228 1
468 . 1 1 82 82 VAL HA H 1 4.100 . . 1 . 787 . . 82 VAL HA . 25228 1
469 . 1 1 82 82 VAL C C 13 176.216 0.001 . 1 . 330 . . 82 VAL C . 25228 1
470 . 1 1 82 82 VAL CA C 13 62.335 0.048 . 1 . 616 . . 82 VAL CA . 25228 1
471 . 1 1 82 82 VAL CB C 13 32.840 0.002 . 1 . 615 . . 82 VAL CB . 25228 1
472 . 1 1 82 82 VAL N N 15 123.284 0.015 . 1 . 150 . . 82 VAL N . 25228 1
473 . 1 1 83 83 GLU H H 1 8.646 0.001 . 1 . 187 . . 83 GLU H . 25228 1
474 . 1 1 83 83 GLU HA H 1 4.251 . . 1 . 683 . . 83 GLU HA . 25228 1
475 . 1 1 83 83 GLU C C 13 177.086 0.001 . 1 . 357 . . 83 GLU C . 25228 1
476 . 1 1 83 83 GLU CA C 13 56.885 0.025 . 1 . 555 . . 83 GLU CA . 25228 1
477 . 1 1 83 83 GLU CB C 13 30.264 0.004 . 1 . 554 . . 83 GLU CB . 25228 1
478 . 1 1 83 83 GLU N N 15 125.499 0.012 . 1 . 188 . . 83 GLU N . 25228 1
479 . 1 1 84 84 GLY H H 1 8.590 0.001 . 1 . 123 . . 84 GLY H . 25228 1
480 . 1 1 84 84 GLY HA2 H 1 3.926 . . 2 . 776 . . 84 GLY HA2 . 25228 1
481 . 1 1 84 84 GLY HA3 H 1 3.956 . . 2 . 777 . . 84 GLY HA3 . 25228 1
482 . 1 1 84 84 GLY C C 13 174.207 0.007 . 1 . 249 . . 84 GLY C . 25228 1
483 . 1 1 84 84 GLY CA C 13 45.305 0.009 . 1 . 382 . . 84 GLY CA . 25228 1
484 . 1 1 84 84 GLY N N 15 110.876 0.015 . 1 . 124 . . 84 GLY N . 25228 1
485 . 1 1 85 85 ALA H H 1 8.330 0.002 . 1 . 129 . . 85 ALA H . 25228 1
486 . 1 1 85 85 ALA HA H 1 4.292 . . 1 . 676 . . 85 ALA HA . 25228 1
487 . 1 1 85 85 ALA C C 13 178.568 0.002 . 1 . 347 . . 85 ALA C . 25228 1
488 . 1 1 85 85 ALA CA C 13 52.965 0.015 . 1 . 539 . . 85 ALA CA . 25228 1
489 . 1 1 85 85 ALA CB C 13 19.204 0.01 . 1 . 538 . . 85 ALA CB . 25228 1
490 . 1 1 85 85 ALA N N 15 124.043 0.016 . 1 . 130 . . 85 ALA N . 25228 1
491 . 1 1 86 86 GLY H H 1 8.568 0.001 . 1 . 43 . . 86 GLY H . 25228 1
492 . 1 1 86 86 GLY HA2 H 1 3.949 . . 1 . 694 . . 86 GLY HA2 . 25228 1
493 . 1 1 86 86 GLY C C 13 174.352 0.005 . 1 . 243 . . 86 GLY C . 25228 1
494 . 1 1 86 86 GLY CA C 13 45.313 0.008 . 1 . 378 . . 86 GLY CA . 25228 1
495 . 1 1 86 86 GLY N N 15 108.310 0.02 . 1 . 44 . . 86 GLY N . 25228 1
496 . 1 1 87 87 SER H H 1 8.217 0.001 . 1 . 81 . . 87 SER H . 25228 1
497 . 1 1 87 87 SER HA H 1 4.447 . . 1 . 754 . . 87 SER HA . 25228 1
498 . 1 1 87 87 SER C C 13 174.773 . . 1 . 325 . . 87 SER C . 25228 1
499 . 1 1 87 87 SER CA C 13 58.464 0.01 . 1 . 411 . . 87 SER CA . 25228 1
500 . 1 1 87 87 SER CB C 13 63.892 0.012 . 1 . 412 . . 87 SER CB . 25228 1
501 . 1 1 87 87 SER N N 15 115.815 0.015 . 1 . 82 . . 87 SER N . 25228 1
502 . 1 1 88 88 ILE H H 1 8.265 0.001 . 1 . 171 . . 88 ILE H . 25228 1
503 . 1 1 88 88 ILE HA H 1 4.144 . . 1 . 798 . . 88 ILE HA . 25228 1
504 . 1 1 88 88 ILE C C 13 176.354 0.002 . 1 . 326 . . 88 ILE C . 25228 1
505 . 1 1 88 88 ILE CA C 13 61.386 0.015 . 1 . 515 . . 88 ILE CA . 25228 1
506 . 1 1 88 88 ILE CB C 13 38.641 0.04 . 1 . 514 . . 88 ILE CB . 25228 1
507 . 1 1 88 88 ILE N N 15 122.932 0.013 . 1 . 172 . . 88 ILE N . 25228 1
508 . 1 1 89 89 ALA H H 1 8.422 0.001 . 1 . 99 . . 89 ALA H . 25228 1
509 . 1 1 89 89 ALA HA H 1 4.229 . . 1 . 763 . . 89 ALA HA . 25228 1
510 . 1 1 89 89 ALA C C 13 177.640 0.003 . 1 . 368 . . 89 ALA C . 25228 1
511 . 1 1 89 89 ALA CA C 13 52.649 0.001 . 1 . 572 . . 89 ALA CA . 25228 1
512 . 1 1 89 89 ALA CB C 13 19.054 0.0 . 1 . 571 . . 89 ALA CB . 25228 1
513 . 1 1 89 89 ALA N N 15 128.204 0.014 . 1 . 100 . . 89 ALA N . 25228 1
514 . 1 1 90 90 ALA H H 1 8.283 0.001 . 1 . 77 . . 90 ALA H . 25228 1
515 . 1 1 90 90 ALA HA H 1 4.229 . . 1 . 764 . . 90 ALA HA . 25228 1
516 . 1 1 90 90 ALA C C 13 177.798 0.009 . 1 . 334 . . 90 ALA C . 25228 1
517 . 1 1 90 90 ALA CA C 13 52.481 0.044 . 1 . 620 . . 90 ALA CA . 25228 1
518 . 1 1 90 90 ALA CB C 13 19.184 0.024 . 1 . 619 . . 90 ALA CB . 25228 1
519 . 1 1 90 90 ALA N N 15 123.462 0.016 . 1 . 78 . . 90 ALA N . 25228 1
520 . 1 1 91 91 ALA H H 1 8.359 0.001 . 1 . 69 . . 91 ALA H . 25228 1
521 . 1 1 91 91 ALA HA H 1 4.332 . . 1 . 688 . . 91 ALA HA . 25228 1
522 . 1 1 91 91 ALA C C 13 178.205 0.003 . 1 . 335 . . 91 ALA C . 25228 1
523 . 1 1 91 91 ALA CA C 13 52.689 0.054 . 1 . 522 . . 91 ALA CA . 25228 1
524 . 1 1 91 91 ALA CB C 13 19.115 0.016 . 1 . 523 . . 91 ALA CB . 25228 1
525 . 1 1 91 91 ALA N N 15 123.554 0.019 . 1 . 70 . . 91 ALA N . 25228 1
526 . 1 1 92 92 THR H H 1 8.171 0.001 . 1 . 19 . . 92 THR H . 25228 1
527 . 1 1 92 92 THR HA H 1 4.282 . . 1 . 682 . . 92 THR HA . 25228 1
528 . 1 1 92 92 THR C C 13 175.227 0.009 . 1 . 254 . . 92 THR C . 25228 1
529 . 1 1 92 92 THR CA C 13 62.138 0.018 . 1 . 390 . . 92 THR CA . 25228 1
530 . 1 1 92 92 THR CB C 13 69.912 0.013 . 1 . 580 . . 92 THR CB . 25228 1
531 . 1 1 92 92 THR N N 15 112.798 0.017 . 1 . 20 . . 92 THR N . 25228 1
532 . 1 1 93 93 GLY H H 1 8.377 0.001 . 1 . 73 . . 93 GLY H . 25228 1
533 . 1 1 93 93 GLY HA2 H 1 3.892 . . 1 . 720 . . 93 GLY HA2 . 25228 1
534 . 1 1 93 93 GLY C C 13 173.648 0.005 . 1 . 248 . . 93 GLY C . 25228 1
535 . 1 1 93 93 GLY CA C 13 45.206 0.027 . 1 . 381 . . 93 GLY CA . 25228 1
536 . 1 1 93 93 GLY N N 15 110.834 0.015 . 1 . 74 . . 93 GLY N . 25228 1
537 . 1 1 94 94 PHE H H 1 8.154 0.001 . 1 . 85 . . 94 PHE H . 25228 1
538 . 1 1 94 94 PHE HA H 1 4.588 . . 1 . 779 . . 94 PHE HA . 25228 1
539 . 1 1 94 94 PHE C C 13 175.530 0.004 . 1 . 286 . . 94 PHE C . 25228 1
540 . 1 1 94 94 PHE CA C 13 57.914 0.023 . 1 . 465 . . 94 PHE CA . 25228 1
541 . 1 1 94 94 PHE CB C 13 39.721 0.008 . 1 . 464 . . 94 PHE CB . 25228 1
542 . 1 1 94 94 PHE N N 15 120.457 0.025 . 1 . 86 . . 94 PHE N . 25228 1
543 . 1 1 95 95 VAL H H 1 8.123 0.001 . 1 . 17 . . 95 VAL H . 25228 1
544 . 1 1 95 95 VAL HA H 1 3.985 . . 1 . 794 . . 95 VAL HA . 25228 1
545 . 1 1 95 95 VAL C C 13 175.457 0.01 . 1 . 349 . . 95 VAL C . 25228 1
546 . 1 1 95 95 VAL CA C 13 62.036 0.018 . 1 . 543 . . 95 VAL CA . 25228 1
547 . 1 1 95 95 VAL CB C 13 33.109 0.017 . 1 . 542 . . 95 VAL CB . 25228 1
548 . 1 1 95 95 VAL N N 15 124.047 0.02 . 1 . 18 . . 95 VAL N . 25228 1
549 . 1 1 96 96 LYS H H 1 8.463 0.001 . 1 . 39 . . 96 LYS H . 25228 1
550 . 1 1 96 96 LYS HA H 1 4.197 . . 1 . 772 . . 96 LYS HA . 25228 1
551 . 1 1 96 96 LYS C C 13 176.577 0.01 . 1 . 364 . . 96 LYS C . 25228 1
552 . 1 1 96 96 LYS CA C 13 56.505 0.007 . 1 . 565 . . 96 LYS CA . 25228 1
553 . 1 1 96 96 LYS CB C 13 33.059 . . 1 . 627 . . 96 LYS CB . 25228 1
554 . 1 1 96 96 LYS N N 15 126.585 0.018 . 1 . 40 . . 96 LYS N . 25228 1
555 . 1 1 97 97 LYS H H 1 8.541 0.003 . 1 . 151 . . 97 LYS H . 25228 1
556 . 1 1 97 97 LYS HA H 1 4.259 . . 1 . 734 . . 97 LYS HA . 25228 1
557 . 1 1 97 97 LYS C C 13 176.454 0.001 . 1 . 342 . . 97 LYS C . 25228 1
558 . 1 1 97 97 LYS CA C 13 56.613 0.045 . 1 . 498 . . 97 LYS CA . 25228 1
559 . 1 1 97 97 LYS CB C 13 33.184 0.089 . 1 . 495 . . 97 LYS CB . 25228 1
560 . 1 1 97 97 LYS N N 15 123.854 0.04 . 1 . 152 . . 97 LYS N . 25228 1
561 . 1 1 98 98 ASP H H 1 8.468 0.001 . 1 . 147 . . 98 ASP H . 25228 1
562 . 1 1 98 98 ASP HA H 1 4.539 . . 1 . 718 . . 98 ASP HA . 25228 1
563 . 1 1 98 98 ASP C C 13 176.268 0.001 . 1 . 301 . . 98 ASP C . 25228 1
564 . 1 1 98 98 ASP CA C 13 54.518 0.022 . 1 . 497 . . 98 ASP CA . 25228 1
565 . 1 1 98 98 ASP CB C 13 41.055 0.01 . 1 . 496 . . 98 ASP CB . 25228 1
566 . 1 1 98 98 ASP N N 15 121.309 0.024 . 1 . 148 . . 98 ASP N . 25228 1
567 . 1 1 99 99 GLN H H 1 8.407 0.001 . 1 . 3 . . 99 GLN H . 25228 1
568 . 1 1 99 99 GLN HA H 1 4.297 . . 1 . 755 . . 99 GLN HA . 25228 1
569 . 1 1 99 99 GLN C C 13 176.095 0.005 . 1 . 283 . . 99 GLN C . 25228 1
570 . 1 1 99 99 GLN CA C 13 55.869 0.023 . 1 . 459 . . 99 GLN CA . 25228 1
571 . 1 1 99 99 GLN CB C 13 29.398 0.003 . 1 . 460 . . 99 GLN CB . 25228 1
572 . 1 1 99 99 GLN N N 15 120.328 0.018 . 1 . 4 . . 99 GLN N . 25228 1
573 . 1 1 100 100 LEU H H 1 8.362 0.001 . 1 . 177 . . 100 LEU H . 25228 1
574 . 1 1 100 100 LEU HA H 1 4.312 . . 1 . 679 . . 100 LEU HA . 25228 1
575 . 1 1 100 100 LEU C C 13 178.071 0.003 . 1 . 327 . . 100 LEU C . 25228 1
576 . 1 1 100 100 LEU CA C 13 55.448 0.031 . 1 . 609 . . 100 LEU CA . 25228 1
577 . 1 1 100 100 LEU CB C 13 42.231 0.006 . 1 . 380 . . 100 LEU CB . 25228 1
578 . 1 1 100 100 LEU N N 15 122.978 0.025 . 1 . 178 . . 100 LEU N . 25228 1
579 . 1 1 101 101 GLY H H 1 8.553 0.001 . 1 . 101 . . 101 GLY H . 25228 1
580 . 1 1 101 101 GLY HA2 H 1 3.897 . . 2 . 728 . . 101 GLY HA2 . 25228 1
581 . 1 1 101 101 GLY HA3 H 1 3.937 . . 2 . 729 . . 101 GLY HA3 . 25228 1
582 . 1 1 101 101 GLY C C 13 174.166 0.005 . 1 . 245 . . 101 GLY C . 25228 1
583 . 1 1 101 101 GLY CA C 13 45.326 0.01 . 1 . 379 . . 101 GLY CA . 25228 1
584 . 1 1 101 101 GLY N N 15 109.923 0.024 . 1 . 102 . . 101 GLY N . 25228 1
585 . 1 1 102 102 LYS H H 1 8.277 0.001 . 1 . 227 . . 102 LYS H . 25228 1
586 . 1 1 102 102 LYS HA H 1 4.304 . . 1 . 711 . . 102 LYS HA . 25228 1
587 . 1 1 102 102 LYS C C 13 176.551 0.005 . 1 . 293 . . 102 LYS C . 25228 1
588 . 1 1 102 102 LYS CA C 13 56.333 0.027 . 1 . 442 . . 102 LYS CA . 25228 1
589 . 1 1 102 102 LYS CB C 13 33.118 0.012 . 1 . 443 . . 102 LYS CB . 25228 1
590 . 1 1 102 102 LYS N N 15 120.871 0.017 . 1 . 228 . . 102 LYS N . 25228 1
591 . 1 1 103 103 ASN H H 1 8.689 0.001 . 1 . 191 . . 103 ASN H . 25228 1
592 . 1 1 103 103 ASN HA H 1 4.676 . . 1 . 736 . . 103 ASN HA . 25228 1
593 . 1 1 103 103 ASN C C 13 175.349 0.005 . 1 . 274 . . 103 ASN C . 25228 1
594 . 1 1 103 103 ASN CA C 13 53.348 . . 1 . 441 . . 103 ASN CA . 25228 1
595 . 1 1 103 103 ASN CB C 13 38.771 . . 1 . 440 . . 103 ASN CB . 25228 1
596 . 1 1 103 103 ASN N N 15 120.052 0.014 . 1 . 192 . . 103 ASN N . 25228 1
597 . 1 1 104 104 GLU H H 1 8.533 0.001 . 1 . 75 . . 104 GLU H . 25228 1
598 . 1 1 104 104 GLU HA H 1 4.265 . . 1 . 813 . . 104 GLU HA . 25228 1
599 . 1 1 104 104 GLU C C 13 176.620 0.014 . 1 . 304 . . 104 GLU C . 25228 1
600 . 1 1 104 104 GLU CA C 13 56.714 . . 1 . 506 . . 104 GLU CA . 25228 1
601 . 1 1 104 104 GLU CB C 13 30.259 . . 1 . 503 . . 104 GLU CB . 25228 1
602 . 1 1 104 104 GLU N N 15 121.531 0.025 . 1 . 76 . . 104 GLU N . 25228 1
603 . 1 1 105 105 GLU H H 1 8.539 0.002 . 1 . 655 . . 105 GLU H . 25228 1
604 . 1 1 105 105 GLU HA H 1 4.236 . . 1 . 807 . . 105 GLU HA . 25228 1
605 . 1 1 105 105 GLU C C 13 177.085 0.011 . 1 . 657 . . 105 GLU C . 25228 1
606 . 1 1 105 105 GLU CA C 13 56.954 . . 1 . 653 . . 105 GLU CA . 25228 1
607 . 1 1 105 105 GLU CB C 13 30.215 . . 1 . 654 . . 105 GLU CB . 25228 1
608 . 1 1 105 105 GLU N N 15 122.020 0.032 . 1 . 656 . . 105 GLU N . 25228 1
609 . 1 1 106 106 GLY H H 1 8.501 0.001 . 1 . 645 . . 106 GLY H . 25228 1
610 . 1 1 106 106 GLY HA2 H 1 3.909 . . 1 . 783 . . 106 GLY HA2 . 25228 1
611 . 1 1 106 106 GLY C C 13 173.468 0.002 . 1 . 353 . . 106 GLY C . 25228 1
612 . 1 1 106 106 GLY CA C 13 45.037 0.008 . 1 . 551 . . 106 GLY CA . 25228 1
613 . 1 1 106 106 GLY N N 15 110.350 0.018 . 1 . 644 . . 106 GLY N . 25228 1
614 . 1 1 107 107 ALA H H 1 8.197 0.001 . 1 . 131 . . 107 ALA H . 25228 1
615 . 1 1 107 107 ALA HA H 1 4.600 . . 1 . 814 . . 107 ALA HA . 25228 1
616 . 1 1 107 107 ALA C C 13 175.625 . . 1 . 354 . . 107 ALA C . 25228 1
617 . 1 1 107 107 ALA CA C 13 50.540 . . 1 . 552 . . 107 ALA CA . 25228 1
618 . 1 1 107 107 ALA CB C 13 18.129 . . 1 . 550 . . 107 ALA CB . 25228 1
619 . 1 1 107 107 ALA N N 15 125.052 0.018 . 1 . 132 . . 107 ALA N . 25228 1
620 . 1 1 108 108 PRO HA H 1 4.410 . . 1 . 735 . . 108 PRO HA . 25228 1
621 . 1 1 108 108 PRO C C 13 177.107 . . 1 . 302 . . 108 PRO C . 25228 1
622 . 1 1 108 108 PRO CA C 13 63.131 0.017 . 1 . 500 . . 108 PRO CA . 25228 1
623 . 1 1 108 108 PRO CB C 13 32.077 0.013 . 1 . 502 . . 108 PRO CB . 25228 1
624 . 1 1 109 109 GLN H H 1 8.667 0.001 . 1 . 203 . . 109 GLN H . 25228 1
625 . 1 1 109 109 GLN HA H 1 4.282 . . 1 . 751 . . 109 GLN HA . 25228 1
626 . 1 1 109 109 GLN C C 13 176.042 0.002 . 1 . 303 . . 109 GLN C . 25228 1
627 . 1 1 109 109 GLN CA C 13 55.757 0.012 . 1 . 499 . . 109 GLN CA . 25228 1
628 . 1 1 109 109 GLN CB C 13 29.618 0.007 . 1 . 501 . . 109 GLN CB . 25228 1
629 . 1 1 109 109 GLN N N 15 121.344 0.018 . 1 . 204 . . 109 GLN N . 25228 1
630 . 1 1 110 110 GLU H H 1 8.598 0.001 . 1 . 215 . . 110 GLU H . 25228 1
631 . 1 1 110 110 GLU HA H 1 4.277 . . 1 . 680 . . 110 GLU HA . 25228 1
632 . 1 1 110 110 GLU C C 13 176.909 0.007 . 1 . 319 . . 110 GLU C . 25228 1
633 . 1 1 110 110 GLU CA C 13 56.735 0.029 . 1 . 601 . . 110 GLU CA . 25228 1
634 . 1 1 110 110 GLU CB C 13 30.487 0.025 . 1 . 600 . . 110 GLU CB . 25228 1
635 . 1 1 110 110 GLU N N 15 122.699 0.019 . 1 . 216 . . 110 GLU N . 25228 1
636 . 1 1 111 111 GLY H H 1 8.556 0.001 . 1 . 201 . . 111 GLY H . 25228 1
637 . 1 1 111 111 GLY HA2 H 1 3.922 . . 1 . 715 . . 111 GLY HA2 . 25228 1
638 . 1 1 111 111 GLY C C 13 173.823 0.002 . 1 . 246 . . 111 GLY C . 25228 1
639 . 1 1 111 111 GLY CA C 13 45.286 0.011 . 1 . 454 . . 111 GLY CA . 25228 1
640 . 1 1 111 111 GLY N N 15 110.408 0.023 . 1 . 202 . . 111 GLY N . 25228 1
641 . 1 1 112 112 ILE H H 1 8.068 0.001 . 1 . 229 . . 112 ILE H . 25228 1
642 . 1 1 112 112 ILE HA H 1 4.148 . . 1 . 795 . . 112 ILE HA . 25228 1
643 . 1 1 112 112 ILE C C 13 176.348 0.005 . 1 . 279 . . 112 ILE C . 25228 1
644 . 1 1 112 112 ILE CA C 13 61.018 0.0 . 1 . 453 . . 112 ILE CA . 25228 1
645 . 1 1 112 112 ILE CB C 13 38.636 0.015 . 1 . 455 . . 112 ILE CB . 25228 1
646 . 1 1 112 112 ILE N N 15 120.282 0.015 . 1 . 230 . . 112 ILE N . 25228 1
647 . 1 1 113 113 LEU H H 1 8.481 0.001 . 1 . 95 . . 113 LEU H . 25228 1
648 . 1 1 113 113 LEU HA H 1 4.370 . . 1 . 747 . . 113 LEU HA . 25228 1
649 . 1 1 113 113 LEU C C 13 177.221 0.002 . 1 . 365 . . 113 LEU C . 25228 1
650 . 1 1 113 113 LEU CA C 13 55.080 0.021 . 1 . 567 . . 113 LEU CA . 25228 1
651 . 1 1 113 113 LEU CB C 13 42.335 0.017 . 1 . 566 . . 113 LEU CB . 25228 1
652 . 1 1 113 113 LEU N N 15 127.161 0.017 . 1 . 96 . . 113 LEU N . 25228 1
653 . 1 1 114 114 GLU H H 1 8.490 0.001 . 1 . 649 . . 114 GLU H . 25228 1
654 . 1 1 114 114 GLU HA H 1 4.229 . . 1 . 737 . . 114 GLU HA . 25228 1
655 . 1 1 114 114 GLU C C 13 175.930 0.005 . 1 . 305 . . 114 GLU C . 25228 1
656 . 1 1 114 114 GLU CA C 13 56.529 0.004 . 1 . 510 . . 114 GLU CA . 25228 1
657 . 1 1 114 114 GLU CB C 13 30.588 0.007 . 1 . 507 . . 114 GLU CB . 25228 1
658 . 1 1 114 114 GLU N N 15 122.378 0.023 . 1 . 650 . . 114 GLU N . 25228 1
659 . 1 1 115 115 ASP H H 1 8.428 0.001 . 1 . 13 . . 115 ASP H . 25228 1
660 . 1 1 115 115 ASP HA H 1 4.546 . . 1 . 745 . . 115 ASP HA . 25228 1
661 . 1 1 115 115 ASP C C 13 175.829 0.0 . 1 . 306 . . 115 ASP C . 25228 1
662 . 1 1 115 115 ASP CA C 13 54.295 0.024 . 1 . 509 . . 115 ASP CA . 25228 1
663 . 1 1 115 115 ASP CB C 13 41.116 0.005 . 1 . 508 . . 115 ASP CB . 25228 1
664 . 1 1 115 115 ASP N N 15 121.533 0.012 . 1 . 14 . . 115 ASP N . 25228 1
665 . 1 1 116 116 MET H H 1 8.325 0.001 . 1 . 219 . . 116 MET H . 25228 1
666 . 1 1 116 116 MET HA H 1 4.788 . . 1 . 815 . . 116 MET HA . 25228 1
667 . 1 1 116 116 MET C C 13 174.141 . . 1 . 313 . . 116 MET C . 25228 1
668 . 1 1 116 116 MET CA C 13 53.262 . . 1 . 587 . . 116 MET CA . 25228 1
669 . 1 1 116 116 MET CB C 13 32.392 . . 1 . 586 . . 116 MET CB . 25228 1
670 . 1 1 116 116 MET N N 15 122.131 0.013 . 1 . 220 . . 116 MET N . 25228 1
671 . 1 1 117 117 PRO HA H 1 4.436 . . 1 . 733 . . 117 PRO HA . 25228 1
672 . 1 1 117 117 PRO C C 13 176.758 . . 1 . 299 . . 117 PRO C . 25228 1
673 . 1 1 117 117 PRO CA C 13 62.960 0.014 . 1 . 494 . . 117 PRO CA . 25228 1
674 . 1 1 117 117 PRO CB C 13 32.173 0.009 . 1 . 491 . . 117 PRO CB . 25228 1
675 . 1 1 118 118 VAL H H 1 8.381 0.001 . 1 . 45 . . 118 VAL H . 25228 1
676 . 1 1 118 118 VAL HA H 1 4.038 . . 1 . 793 . . 118 VAL HA . 25228 1
677 . 1 1 118 118 VAL C C 13 175.810 0.0 . 1 . 300 . . 118 VAL C . 25228 1
678 . 1 1 118 118 VAL CA C 13 62.005 0.021 . 1 . 493 . . 118 VAL CA . 25228 1
679 . 1 1 118 118 VAL CB C 13 33.067 0.012 . 1 . 492 . . 118 VAL CB . 25228 1
680 . 1 1 118 118 VAL N N 15 121.046 0.017 . 1 . 46 . . 118 VAL N . 25228 1
681 . 1 1 119 119 ASP H H 1 8.597 0.001 . 1 . 197 . . 119 ASP H . 25228 1
682 . 1 1 119 119 ASP HA H 1 4.874 . . 1 . 816 . . 119 ASP HA . 25228 1
683 . 1 1 119 119 ASP C C 13 174.769 . . 1 . 363 . . 119 ASP C . 25228 1
684 . 1 1 119 119 ASP CA C 13 52.105 . . 1 . 564 . . 119 ASP CA . 25228 1
685 . 1 1 119 119 ASP CB C 13 41.112 . . 1 . 563 . . 119 ASP CB . 25228 1
686 . 1 1 119 119 ASP N N 15 126.136 0.016 . 1 . 198 . . 119 ASP N . 25228 1
687 . 1 1 120 120 PRO HA H 1 4.290 . . 1 . 703 . . 120 PRO HA . 25228 1
688 . 1 1 120 120 PRO C C 13 176.971 . . 1 . 265 . . 120 PRO C . 25228 1
689 . 1 1 120 120 PRO CA C 13 63.582 0.002 . 1 . 428 . . 120 PRO CA . 25228 1
690 . 1 1 120 120 PRO CB C 13 32.202 0.0 . 1 . 427 . . 120 PRO CB . 25228 1
691 . 1 1 121 121 ASP H H 1 8.440 0.001 . 1 . 163 . . 121 ASP H . 25228 1
692 . 1 1 121 121 ASP HA H 1 4.581 . . 1 . 702 . . 121 ASP HA . 25228 1
693 . 1 1 121 121 ASP C C 13 176.209 0.001 . 1 . 266 . . 121 ASP C . 25228 1
694 . 1 1 121 121 ASP CA C 13 54.620 0.016 . 1 . 426 . . 121 ASP CA . 25228 1
695 . 1 1 121 121 ASP CB C 13 40.901 0.004 . 1 . 425 . . 121 ASP CB . 25228 1
696 . 1 1 121 121 ASP N N 15 119.302 0.018 . 1 . 164 . . 121 ASP N . 25228 1
697 . 1 1 122 122 ASN H H 1 8.158 0.001 . 1 . 225 . . 122 ASN H . 25228 1
698 . 1 1 122 122 ASN HA H 1 4.658 . . 1 . 744 . . 122 ASN HA . 25228 1
699 . 1 1 122 122 ASN C C 13 175.469 0.006 . 1 . 267 . . 122 ASN C . 25228 1
700 . 1 1 122 122 ASN CA C 13 53.513 0.011 . 1 . 424 . . 122 ASN CA . 25228 1
701 . 1 1 122 122 ASN CB C 13 39.339 0.023 . 1 . 423 . . 122 ASN CB . 25228 1
702 . 1 1 122 122 ASN N N 15 119.219 0.015 . 1 . 226 . . 122 ASN N . 25228 1
703 . 1 1 123 123 GLU H H 1 8.457 0.001 . 1 . 109 . . 123 GLU H . 25228 1
704 . 1 1 123 123 GLU HA H 1 4.186 . . 1 . 781 . . 123 GLU HA . 25228 1
705 . 1 1 123 123 GLU C C 13 176.158 0.005 . 1 . 312 . . 123 GLU C . 25228 1
706 . 1 1 123 123 GLU CA C 13 56.960 0.015 . 1 . 595 . . 123 GLU CA . 25228 1
707 . 1 1 123 123 GLU CB C 13 30.094 0.01 . 1 . 596 . . 123 GLU CB . 25228 1
708 . 1 1 123 123 GLU N N 15 121.970 0.014 . 1 . 110 . . 123 GLU N . 25228 1
709 . 1 1 124 124 ALA H H 1 8.304 0.001 . 1 . 5 . . 124 ALA H . 25228 1
710 . 1 1 124 124 ALA HA H 1 4.262 . . 1 . 713 . . 124 ALA HA . 25228 1
711 . 1 1 124 124 ALA C C 13 177.280 0.003 . 1 . 351 . . 124 ALA C . 25228 1
712 . 1 1 124 124 ALA CA C 13 52.360 0.007 . 1 . 547 . . 124 ALA CA . 25228 1
713 . 1 1 124 124 ALA CB C 13 19.112 0.006 . 1 . 546 . . 124 ALA CB . 25228 1
714 . 1 1 124 124 ALA N N 15 124.454 0.016 . 1 . 6 . . 124 ALA N . 25228 1
715 . 1 1 125 125 TYR H H 1 8.092 0.001 . 1 . 119 . . 125 TYR H . 25228 1
716 . 1 1 125 125 TYR HA H 1 4.485 . . 1 . 780 . . 125 TYR HA . 25228 1
717 . 1 1 125 125 TYR C C 13 175.382 0.005 . 1 . 277 . . 125 TYR C . 25228 1
718 . 1 1 125 125 TYR CA C 13 57.928 0.008 . 1 . 448 . . 125 TYR CA . 25228 1
719 . 1 1 125 125 TYR CB C 13 38.981 0.011 . 1 . 447 . . 125 TYR CB . 25228 1
720 . 1 1 125 125 TYR N N 15 120.135 0.022 . 1 . 120 . . 125 TYR N . 25228 1
721 . 1 1 126 126 GLU H H 1 8.181 0.001 . 1 . 79 . . 126 GLU H . 25228 1
722 . 1 1 126 126 GLU HA H 1 4.223 . . 1 . 778 . . 126 GLU HA . 25228 1
723 . 1 1 126 126 GLU C C 13 175.433 0.004 . 1 . 350 . . 126 GLU C . 25228 1
724 . 1 1 126 126 GLU CA C 13 55.647 0.014 . 1 . 545 . . 126 GLU CA . 25228 1
725 . 1 1 126 126 GLU CB C 13 30.768 0.005 . 1 . 544 . . 126 GLU CB . 25228 1
726 . 1 1 126 126 GLU N N 15 124.067 0.017 . 1 . 80 . . 126 GLU N . 25228 1
727 . 1 1 127 127 MET H H 1 8.484 0.001 . 1 . 21 . . 127 MET H . 25228 1
728 . 1 1 127 127 MET HA H 1 4.673 . . 1 . 817 . . 127 MET HA . 25228 1
729 . 1 1 127 127 MET C C 13 174.316 . . 1 . 348 . . 127 MET C . 25228 1
730 . 1 1 127 127 MET CA C 13 53.350 . . 1 . 541 . . 127 MET CA . 25228 1
731 . 1 1 127 127 MET CB C 13 32.300 . . 1 . 540 . . 127 MET CB . 25228 1
732 . 1 1 127 127 MET N N 15 124.048 0.014 . 1 . 22 . . 127 MET N . 25228 1
733 . 1 1 128 128 PRO HA H 1 4.414 . . 1 . 697 . . 128 PRO HA . 25228 1
734 . 1 1 128 128 PRO C C 13 176.930 . . 1 . 261 . . 128 PRO C . 25228 1
735 . 1 1 128 128 PRO CA C 13 63.150 0.012 . 1 . 405 . . 128 PRO CA . 25228 1
736 . 1 1 128 128 PRO CB C 13 32.213 0.006 . 1 . 406 . . 128 PRO CB . 25228 1
737 . 1 1 129 129 SER H H 1 8.559 0.001 . 1 . 61 . . 129 SER H . 25228 1
738 . 1 1 129 129 SER HA H 1 4.393 . . 1 . 760 . . 129 SER HA . 25228 1
739 . 1 1 129 129 SER C C 13 174.854 0.004 . 1 . 262 . . 129 SER C . 25228 1
740 . 1 1 129 129 SER CA C 13 58.350 0.045 . 1 . 403 . . 129 SER CA . 25228 1
741 . 1 1 129 129 SER CB C 13 63.897 0.021 . 1 . 404 . . 129 SER CB . 25228 1
742 . 1 1 129 129 SER N N 15 116.906 0.015 . 1 . 62 . . 129 SER N . 25228 1
743 . 1 1 130 130 GLU H H 1 8.647 0.001 . 1 . 205 . . 130 GLU H . 25228 1
744 . 1 1 130 130 GLU HA H 1 4.280 . . 1 . 810 . . 130 GLU HA . 25228 1
745 . 1 1 130 130 GLU C C 13 176.591 0.005 . 1 . 331 . . 130 GLU C . 25228 1
746 . 1 1 130 130 GLU CA C 13 56.554 . . 1 . 598 . . 130 GLU CA . 25228 1
747 . 1 1 130 130 GLU CB C 13 30.315 . . 1 . 599 . . 130 GLU CB . 25228 1
748 . 1 1 130 130 GLU N N 15 123.284 0.016 . 1 . 206 . . 130 GLU N . 25228 1
749 . 1 1 131 131 GLU H H 1 8.528 0.0 . 1 . 671 . . 131 GLU H . 25228 1
750 . 1 1 131 131 GLU HA H 1 4.209 . . 1 . 805 . . 131 GLU HA . 25228 1
751 . 1 1 131 131 GLU C C 13 177.027 0.011 . 1 . 673 . . 131 GLU C . 25228 1
752 . 1 1 131 131 GLU CA C 13 57.018 . . 1 . 661 . . 131 GLU CA . 25228 1
753 . 1 1 131 131 GLU CB C 13 30.262 . . 1 . 662 . . 131 GLU CB . 25228 1
754 . 1 1 131 131 GLU N N 15 122.106 0.02 . 1 . 672 . . 131 GLU N . 25228 1
755 . 1 1 132 132 GLY H H 1 8.481 0.001 . 1 . 636 . . 132 GLY H . 25228 1
756 . 1 1 132 132 GLY HA2 H 1 3.887 . . 1 . 719 . . 132 GLY HA2 . 25228 1
757 . 1 1 132 132 GLY C C 13 173.911 0.006 . 1 . 284 . . 132 GLY C . 25228 1
758 . 1 1 132 132 GLY CA C 13 45.150 0.002 . 1 . 461 . . 132 GLY CA . 25228 1
759 . 1 1 132 132 GLY N N 15 110.109 0.014 . 1 . 637 . . 132 GLY N . 25228 1
760 . 1 1 133 133 TYR H H 1 8.124 0.001 . 1 . 37 . . 133 TYR H . 25228 1
761 . 1 1 133 133 TYR HA H 1 4.480 . . 1 . 753 . . 133 TYR HA . 25228 1
762 . 1 1 133 133 TYR C C 13 175.816 0.001 . 1 . 285 . . 133 TYR C . 25228 1
763 . 1 1 133 133 TYR CA C 13 58.258 0.025 . 1 . 463 . . 133 TYR CA . 25228 1
764 . 1 1 133 133 TYR CB C 13 38.753 0.008 . 1 . 462 . . 133 TYR CB . 25228 1
765 . 1 1 133 133 TYR N N 15 120.411 0.016 . 1 . 38 . . 133 TYR N . 25228 1
766 . 1 1 134 134 GLN H H 1 8.293 0.001 . 1 . 117 . . 134 GLN H . 25228 1
767 . 1 1 134 134 GLN HA H 1 4.224 . . 1 . 740 . . 134 GLN HA . 25228 1
768 . 1 1 134 134 GLN C C 13 174.915 0.0 . 1 . 324 . . 134 GLN C . 25228 1
769 . 1 1 134 134 GLN CA C 13 55.443 0.031 . 1 . 605 . . 134 GLN CA . 25228 1
770 . 1 1 134 134 GLN CB C 13 29.811 0.005 . 1 . 608 . . 134 GLN CB . 25228 1
771 . 1 1 134 134 GLN N N 15 122.862 0.019 . 1 . 118 . . 134 GLN N . 25228 1
772 . 1 1 135 135 ASP H H 1 8.296 0.001 . 1 . 31 . . 135 ASP H . 25228 1
773 . 1 1 135 135 ASP HA H 1 4.506 . . 1 . 723 . . 135 ASP HA . 25228 1
774 . 1 1 135 135 ASP C C 13 175.573 0.004 . 1 . 311 . . 135 ASP C . 25228 1
775 . 1 1 135 135 ASP CA C 13 54.275 0.009 . 1 . 521 . . 135 ASP CA . 25228 1
776 . 1 1 135 135 ASP CB C 13 41.153 0.02 . 1 . 520 . . 135 ASP CB . 25228 1
777 . 1 1 135 135 ASP N N 15 121.739 0.016 . 1 . 32 . . 135 ASP N . 25228 1
778 . 1 1 136 136 TYR H H 1 8.101 0.001 . 1 . 141 . . 136 TYR H . 25228 1
779 . 1 1 136 136 TYR HA H 1 4.530 . . 1 . 788 . . 136 TYR HA . 25228 1
780 . 1 1 136 136 TYR C C 13 175.134 0.0 . 1 . 290 . . 136 TYR C . 25228 1
781 . 1 1 136 136 TYR CA C 13 57.669 0.025 . 1 . 474 . . 136 TYR CA . 25228 1
782 . 1 1 136 136 TYR CB C 13 39.068 0.007 . 1 . 473 . . 136 TYR CB . 25228 1
783 . 1 1 136 136 TYR N N 15 120.610 0.019 . 1 . 142 . . 136 TYR N . 25228 1
784 . 1 1 137 137 GLU H H 1 8.309 0.002 . 1 . 107 . . 137 GLU H . 25228 1
785 . 1 1 137 137 GLU HA H 1 4.536 . . 1 . 818 . . 137 GLU HA . 25228 1
786 . 1 1 137 137 GLU C C 13 173.710 . . 1 . 358 . . 137 GLU C . 25228 1
787 . 1 1 137 137 GLU CA C 13 53.653 . . 1 . 557 . . 137 GLU CA . 25228 1
788 . 1 1 137 137 GLU CB C 13 30.286 . . 1 . 556 . . 137 GLU CB . 25228 1
789 . 1 1 137 137 GLU N N 15 125.554 0.043 . 1 . 108 . . 137 GLU N . 25228 1
790 . 1 1 138 138 PRO HA H 1 4.324 . . 1 . 739 . . 138 PRO HA . 25228 1
791 . 1 1 138 138 PRO C C 13 176.916 . . 1 . 309 . . 138 PRO C . 25228 1
792 . 1 1 138 138 PRO CA C 13 62.948 0.013 . 1 . 519 . . 138 PRO CA . 25228 1
793 . 1 1 138 138 PRO CB C 13 32.242 0.007 . 1 . 517 . . 138 PRO CB . 25228 1
794 . 1 1 139 139 GLU H H 1 8.592 0.001 . 1 . 239 . . 139 GLU H . 25228 1
795 . 1 1 139 139 GLU HA H 1 4.191 . . 1 . 675 . . 139 GLU HA . 25228 1
796 . 1 1 139 139 GLU C C 13 175.468 0.006 . 1 . 310 . . 139 GLU C . 25228 1
797 . 1 1 139 139 GLU CA C 13 56.604 0.018 . 1 . 518 . . 139 GLU CA . 25228 1
798 . 1 1 139 139 GLU CB C 13 30.307 0.005 . 1 . 516 . . 139 GLU CB . 25228 1
799 . 1 1 139 139 GLU N N 15 121.699 0.022 . 1 . 240 . . 139 GLU N . 25228 1
800 . 1 1 140 140 ALA H H 1 8.070 0.0 . 1 . 231 . . 140 ALA H . 25228 1
801 . 1 1 140 140 ALA HA H 1 4.095 . . 1 . 819 . . 140 ALA HA . 25228 1
802 . 1 1 140 140 ALA C C 13 176.657 . . 1 . 242 . . 140 ALA C . 25228 1
803 . 1 1 140 140 ALA CA C 13 53.862 . . 1 . 375 . . 140 ALA CA . 25228 1
804 . 1 1 140 140 ALA CB C 13 20.158 . . 1 . 376 . . 140 ALA CB . 25228 1
805 . 1 1 140 140 ALA N N 15 131.051 0.019 . 1 . 232 . . 140 ALA N . 25228 1
stop_
save_