Content for NMR-STAR saveframe, "assigned_chem_shift_list"
save_assigned_chem_shift_list
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list
_Assigned_chem_shift_list.Entry_ID 18956
_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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/3zj2/ebi/Nab2_Z34_CS_curated.dat.csh'
_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 '1H-15N HSQC' 1 $sample_1 solution 18956 1
2 '1H-15N HMBC' 1 $sample_1 solution 18956 1
3 '1H-13C HSQC' 1 $sample_1 solution 18956 1
4 HNCO 1 $sample_1 solution 18956 1
5 HN(CA)CO 1 $sample_1 solution 18956 1
6 HNCA 1 $sample_1 solution 18956 1
7 HNCACB 1 $sample_1 solution 18956 1
8 CBCA(CO)HN 1 $sample_1 solution 18956 1
9 H(C)CH-TOCSY 1 $sample_1 solution 18956 1
10 (H)CCH-TOCSY 1 $sample_1 solution 18956 1
11 '(HB)CB(CGCD)HD Aro' 1 $sample_1 solution 18956 1
12 '(HB)CB(CGCDCE)HE Aro' 1 $sample_1 solution 18956 1
13 '15N HSQC-NOESY' 1 $sample_1 solution 18956 1
14 'NOESY and TOCSY' 1 $sample_1 solution 18956 1
18 'NOESY AND TOCSY' 1 $sample_1 solution 18956 1
19 NOESY 2 $sample_2 solution 18956 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 GLY CA C 13 43.271 . . 1 . 1 . . 1 GLY CA . 18956 1
2 . 1 1 2 2 SER HA H 1 4.451 0.005 . 1 . 4 . . 2 SER HA . 18956 1
3 . 1 1 2 2 SER HB2 H 1 3.842 0.006 . 1 . 5 . . 2 SER HB2 . 18956 1
4 . 1 1 2 2 SER HB3 H 1 3.842 0.006 . 1 . 6 . . 2 SER HB3 . 18956 1
5 . 1 1 2 2 SER CA C 13 58.068 0.016 . 1 . 2 . . 2 SER CA . 18956 1
6 . 1 1 2 2 SER CB C 13 63.688 0.003 . 1 . 3 . . 2 SER CB . 18956 1
7 . 1 1 3 3 VAL H H 1 8.327 0.005 . 1 . 12 . . 3 VAL H . 18956 1
8 . 1 1 3 3 VAL HA H 1 4.173 0.004 . 1 . 13 . . 3 VAL HA . 18956 1
9 . 1 1 3 3 VAL HB H 1 2.087 0.005 . 1 . 14 . . 3 VAL HB . 18956 1
10 . 1 1 3 3 VAL HG11 H 1 0.942 0.002 . 2 . 15 . . 3 VAL HG11 . 18956 1
11 . 1 1 3 3 VAL HG12 H 1 0.942 0.002 . 2 . 15 . . 3 VAL HG12 . 18956 1
12 . 1 1 3 3 VAL HG13 H 1 0.942 0.002 . 2 . 15 . . 3 VAL HG13 . 18956 1
13 . 1 1 3 3 VAL HG21 H 1 0.956 0.006 . 2 . 16 . . 3 VAL HG21 . 18956 1
14 . 1 1 3 3 VAL HG22 H 1 0.956 0.006 . 2 . 16 . . 3 VAL HG22 . 18956 1
15 . 1 1 3 3 VAL HG23 H 1 0.956 0.006 . 2 . 16 . . 3 VAL HG23 . 18956 1
16 . 1 1 3 3 VAL C C 13 176.109 0.006 . 1 . 7 . . 3 VAL C . 18956 1
17 . 1 1 3 3 VAL CA C 13 62.335 0.016 . 1 . 8 . . 3 VAL CA . 18956 1
18 . 1 1 3 3 VAL CB C 13 32.749 0.045 . 1 . 9 . . 3 VAL CB . 18956 1
19 . 1 1 3 3 VAL CG1 C 13 21.121 0.01 . 2 . 10 . . 3 VAL CG1 . 18956 1
20 . 1 1 3 3 VAL CG2 C 13 20.480 0.006 . 2 . 11 . . 3 VAL CG2 . 18956 1
21 . 1 1 3 3 VAL N N 15 121.906 0.066 . 1 . 17 . . 3 VAL N . 18956 1
22 . 1 1 4 4 GLN H H 1 8.588 0.01 . 1 . 22 . . 4 GLN H . 18956 1
23 . 1 1 4 4 GLN HA H 1 4.471 0.004 . 1 . 23 . . 4 GLN HA . 18956 1
24 . 1 1 4 4 GLN HB2 H 1 2.016 0.006 . 2 . 24 . . 4 GLN HB2 . 18956 1
25 . 1 1 4 4 GLN HB3 H 1 2.151 0.006 . 2 . 25 . . 4 GLN HB3 . 18956 1
26 . 1 1 4 4 GLN HG2 H 1 2.395 0.006 . 1 . 26 . . 4 GLN HG2 . 18956 1
27 . 1 1 4 4 GLN HG3 H 1 2.395 0.006 . 1 . 27 . . 4 GLN HG3 . 18956 1
28 . 1 1 4 4 GLN C C 13 175.993 0.016 . 1 . 18 . . 4 GLN C . 18956 1
29 . 1 1 4 4 GLN CA C 13 55.676 0.023 . 1 . 19 . . 4 GLN CA . 18956 1
30 . 1 1 4 4 GLN CB C 13 29.425 0.038 . 1 . 20 . . 4 GLN CB . 18956 1
31 . 1 1 4 4 GLN CG C 13 33.749 0.034 . 1 . 21 . . 4 GLN CG . 18956 1
32 . 1 1 4 4 GLN N N 15 124.768 0.05 . 1 . 28 . . 4 GLN N . 18956 1
33 . 1 1 5 5 THR H H 1 8.266 0.004 . 1 . 33 . . 5 THR H . 18956 1
34 . 1 1 5 5 THR HA H 1 4.383 0.005 . 1 . 34 . . 5 THR HA . 18956 1
35 . 1 1 5 5 THR HB H 1 4.267 0.007 . 1 . 35 . . 5 THR HB . 18956 1
36 . 1 1 5 5 THR HG21 H 1 1.240 0.006 . 1 . 36 . . 5 THR HG21 . 18956 1
37 . 1 1 5 5 THR HG22 H 1 1.240 0.006 . 1 . 36 . . 5 THR HG22 . 18956 1
38 . 1 1 5 5 THR HG23 H 1 1.240 0.006 . 1 . 36 . . 5 THR HG23 . 18956 1
39 . 1 1 5 5 THR C C 13 174.936 0.004 . 1 . 29 . . 5 THR C . 18956 1
40 . 1 1 5 5 THR CA C 13 61.740 0.037 . 1 . 30 . . 5 THR CA . 18956 1
41 . 1 1 5 5 THR CB C 13 69.895 0.04 . 1 . 31 . . 5 THR CB . 18956 1
42 . 1 1 5 5 THR CG2 C 13 21.436 0.017 . 1 . 32 . . 5 THR CG2 . 18956 1
43 . 1 1 5 5 THR N N 15 115.449 0.035 . 1 . 37 . . 5 THR N . 18956 1
44 . 1 1 6 6 GLY H H 1 8.387 0.004 . 1 . 40 . . 6 GLY H . 18956 1
45 . 1 1 6 6 GLY HA2 H 1 3.904 0.008 . 2 . 41 . . 6 GLY HA2 . 18956 1
46 . 1 1 6 6 GLY HA3 H 1 3.985 0.005 . 2 . 42 . . 6 GLY HA3 . 18956 1
47 . 1 1 6 6 GLY C C 13 173.541 . . 1 . 38 . . 6 GLY C . 18956 1
48 . 1 1 6 6 GLY CA C 13 45.124 0.046 . 1 . 39 . . 6 GLY CA . 18956 1
49 . 1 1 6 6 GLY N N 15 110.955 0.029 . 1 . 43 . . 6 GLY N . 18956 1
50 . 1 1 7 7 ILE H H 1 7.754 0.003 . 1 . 50 . . 7 ILE H . 18956 1
51 . 1 1 7 7 ILE HA H 1 3.941 0.006 . 1 . 51 . . 7 ILE HA . 18956 1
52 . 1 1 7 7 ILE HB H 1 1.026 0.003 . 1 . 52 . . 7 ILE HB . 18956 1
53 . 1 1 7 7 ILE HG12 H 1 0.387 0.003 . 2 . 54 . . 7 ILE HG12 . 18956 1
54 . 1 1 7 7 ILE HG13 H 1 1.139 0.004 . 2 . 55 . . 7 ILE HG13 . 18956 1
55 . 1 1 7 7 ILE HG21 H 1 0.035 0.002 . 1 . 56 . . 7 ILE HG21 . 18956 1
56 . 1 1 7 7 ILE HG22 H 1 0.035 0.002 . 1 . 56 . . 7 ILE HG22 . 18956 1
57 . 1 1 7 7 ILE HG23 H 1 0.035 0.002 . 1 . 56 . . 7 ILE HG23 . 18956 1
58 . 1 1 7 7 ILE HD11 H 1 -0.640 0.001 . 1 . 53 . . 7 ILE HD11 . 18956 1
59 . 1 1 7 7 ILE HD12 H 1 -0.640 0.001 . 1 . 53 . . 7 ILE HD12 . 18956 1
60 . 1 1 7 7 ILE HD13 H 1 -0.640 0.001 . 1 . 53 . . 7 ILE HD13 . 18956 1
61 . 1 1 7 7 ILE C C 13 174.520 0.004 . 1 . 44 . . 7 ILE C . 18956 1
62 . 1 1 7 7 ILE CA C 13 61.995 0.024 . 1 . 45 . . 7 ILE CA . 18956 1
63 . 1 1 7 7 ILE CB C 13 39.537 0.054 . 1 . 46 . . 7 ILE CB . 18956 1
64 . 1 1 7 7 ILE CG1 C 13 27.931 0.042 . 1 . 48 . . 7 ILE CG1 . 18956 1
65 . 1 1 7 7 ILE CG2 C 13 16.188 0.011 . 1 . 49 . . 7 ILE CG2 . 18956 1
66 . 1 1 7 7 ILE CD1 C 13 11.915 0.015 . 1 . 47 . . 7 ILE CD1 . 18956 1
67 . 1 1 7 7 ILE N N 15 121.834 0.036 . 1 . 57 . . 7 ILE N . 18956 1
68 . 1 1 8 8 VAL H H 1 8.094 0.004 . 1 . 63 . . 8 VAL H . 18956 1
69 . 1 1 8 8 VAL HA H 1 4.003 0.005 . 1 . 64 . . 8 VAL HA . 18956 1
70 . 1 1 8 8 VAL HB H 1 1.924 0.003 . 1 . 65 . . 8 VAL HB . 18956 1
71 . 1 1 8 8 VAL HG11 H 1 0.545 0.005 . 2 . 66 . . 8 VAL HG11 . 18956 1
72 . 1 1 8 8 VAL HG12 H 1 0.545 0.005 . 2 . 66 . . 8 VAL HG12 . 18956 1
73 . 1 1 8 8 VAL HG13 H 1 0.545 0.005 . 2 . 66 . . 8 VAL HG13 . 18956 1
74 . 1 1 8 8 VAL HG21 H 1 0.879 0.004 . 2 . 67 . . 8 VAL HG21 . 18956 1
75 . 1 1 8 8 VAL HG22 H 1 0.879 0.004 . 2 . 67 . . 8 VAL HG22 . 18956 1
76 . 1 1 8 8 VAL HG23 H 1 0.879 0.004 . 2 . 67 . . 8 VAL HG23 . 18956 1
77 . 1 1 8 8 VAL C C 13 176.003 . . 1 . 58 . . 8 VAL C . 18956 1
78 . 1 1 8 8 VAL CA C 13 60.706 0.024 . 1 . 59 . . 8 VAL CA . 18956 1
79 . 1 1 8 8 VAL CB C 13 34.054 0.056 . 1 . 60 . . 8 VAL CB . 18956 1
80 . 1 1 8 8 VAL CG1 C 13 21.371 0.072 . 2 . 61 . . 8 VAL CG1 . 18956 1
81 . 1 1 8 8 VAL CG2 C 13 20.668 0.034 . 2 . 62 . . 8 VAL CG2 . 18956 1
82 . 1 1 8 8 VAL N N 15 127.944 0.048 . 1 . 68 . . 8 VAL N . 18956 1
83 . 1 1 9 9 LEU H H 1 8.673 0.006 . 1 . 75 . . 9 LEU H . 18956 1
84 . 1 1 9 9 LEU HA H 1 3.980 0.004 . 1 . 76 . . 9 LEU HA . 18956 1
85 . 1 1 9 9 LEU HB2 H 1 1.245 0.003 . 2 . 77 . . 9 LEU HB2 . 18956 1
86 . 1 1 9 9 LEU HB3 H 1 1.598 0.006 . 2 . 78 . . 9 LEU HB3 . 18956 1
87 . 1 1 9 9 LEU HG H 1 1.563 0.004 . 1 . 81 . . 9 LEU HG . 18956 1
88 . 1 1 9 9 LEU HD11 H 1 0.582 0.002 . 2 . 79 . . 9 LEU HD11 . 18956 1
89 . 1 1 9 9 LEU HD12 H 1 0.582 0.002 . 2 . 79 . . 9 LEU HD12 . 18956 1
90 . 1 1 9 9 LEU HD13 H 1 0.582 0.002 . 2 . 79 . . 9 LEU HD13 . 18956 1
91 . 1 1 9 9 LEU HD21 H 1 0.835 0.005 . 2 . 80 . . 9 LEU HD21 . 18956 1
92 . 1 1 9 9 LEU HD22 H 1 0.835 0.005 . 2 . 80 . . 9 LEU HD22 . 18956 1
93 . 1 1 9 9 LEU HD23 H 1 0.835 0.005 . 2 . 80 . . 9 LEU HD23 . 18956 1
94 . 1 1 9 9 LEU C C 13 176.429 . . 1 . 69 . . 9 LEU C . 18956 1
95 . 1 1 9 9 LEU CA C 13 55.237 0.013 . 1 . 70 . . 9 LEU CA . 18956 1
96 . 1 1 9 9 LEU CB C 13 41.217 0.045 . 1 . 71 . . 9 LEU CB . 18956 1
97 . 1 1 9 9 LEU CG C 13 27.342 0.05 . 1 . 74 . . 9 LEU CG . 18956 1
98 . 1 1 9 9 LEU CD1 C 13 23.097 0.009 . 2 . 72 . . 9 LEU CD1 . 18956 1
99 . 1 1 9 9 LEU CD2 C 13 24.692 0.019 . 2 . 73 . . 9 LEU CD2 . 18956 1
100 . 1 1 9 9 LEU N N 15 126.607 0.035 . 1 . 82 . . 9 LEU N . 18956 1
101 . 1 1 10 10 CYS H H 1 8.313 0.004 . 1 . 86 . . 10 CYS H . 18956 1
102 . 1 1 10 10 CYS HA H 1 3.916 0.005 . 1 . 87 . . 10 CYS HA . 18956 1
103 . 1 1 10 10 CYS HB2 H 1 2.094 0.213 . 2 . 88 . . 10 CYS HB2 . 18956 1
104 . 1 1 10 10 CYS HB3 H 1 2.473 0.187 . 2 . 89 . . 10 CYS HB3 . 18956 1
105 . 1 1 10 10 CYS C C 13 178.069 . . 1 . 83 . . 10 CYS C . 18956 1
106 . 1 1 10 10 CYS CA C 13 60.595 0.042 . 1 . 84 . . 10 CYS CA . 18956 1
107 . 1 1 10 10 CYS CB C 13 30.456 0.036 . 1 . 85 . . 10 CYS CB . 18956 1
108 . 1 1 10 10 CYS N N 15 124.651 0.052 . 1 . 90 . . 10 CYS N . 18956 1
109 . 1 1 11 11 LYS H H 1 9.004 0.005 . 1 . 97 . . 11 LYS H . 18956 1
110 . 1 1 11 11 LYS HA H 1 3.980 0.006 . 1 . 98 . . 11 LYS HA . 18956 1
111 . 1 1 11 11 LYS HB2 H 1 1.416 0.005 . 2 . 99 . . 11 LYS HB2 . 18956 1
112 . 1 1 11 11 LYS HB3 H 1 1.531 0.006 . 2 . 100 . . 11 LYS HB3 . 18956 1
113 . 1 1 11 11 LYS HG2 H 1 0.742 0.005 . 2 . 105 . . 11 LYS HG2 . 18956 1
114 . 1 1 11 11 LYS HG3 H 1 1.053 0.005 . 2 . 106 . . 11 LYS HG3 . 18956 1
115 . 1 1 11 11 LYS HD2 H 1 1.418 0.004 . 1 . 101 . . 11 LYS HD2 . 18956 1
116 . 1 1 11 11 LYS HD3 H 1 1.418 0.004 . 1 . 102 . . 11 LYS HD3 . 18956 1
117 . 1 1 11 11 LYS HE2 H 1 2.765 0.007 . 1 . 103 . . 11 LYS HE2 . 18956 1
118 . 1 1 11 11 LYS HE3 H 1 2.765 0.007 . 1 . 104 . . 11 LYS HE3 . 18956 1
119 . 1 1 11 11 LYS C C 13 176.695 0.013 . 1 . 91 . . 11 LYS C . 18956 1
120 . 1 1 11 11 LYS CA C 13 58.632 0.03 . 1 . 92 . . 11 LYS CA . 18956 1
121 . 1 1 11 11 LYS CB C 13 31.679 0.051 . 1 . 93 . . 11 LYS CB . 18956 1
122 . 1 1 11 11 LYS CG C 13 23.778 0.027 . 1 . 96 . . 11 LYS CG . 18956 1
123 . 1 1 11 11 LYS CD C 13 28.853 0.04 . 1 . 94 . . 11 LYS CD . 18956 1
124 . 1 1 11 11 LYS CE C 13 41.696 0.027 . 1 . 95 . . 11 LYS CE . 18956 1
125 . 1 1 11 11 LYS N N 15 132.045 0.036 . 1 . 107 . . 11 LYS N . 18956 1
126 . 1 1 12 12 PHE H H 1 8.454 0.003 . 1 . 112 . . 12 PHE H . 18956 1
127 . 1 1 12 12 PHE HA H 1 4.657 0.006 . 1 . 113 . . 12 PHE HA . 18956 1
128 . 1 1 12 12 PHE HB2 H 1 2.986 0.004 . 2 . 114 . . 12 PHE HB2 . 18956 1
129 . 1 1 12 12 PHE HB3 H 1 3.139 0.006 . 2 . 115 . . 12 PHE HB3 . 18956 1
130 . 1 1 12 12 PHE HD1 H 1 7.446 0.004 . 3 . 116 . . 12 PHE HD1 . 18956 1
131 . 1 1 12 12 PHE HD2 H 1 7.446 0.004 . 3 . 117 . . 12 PHE HD2 . 18956 1
132 . 1 1 12 12 PHE HE1 H 1 7.483 0.005 . 3 . 118 . . 12 PHE HE1 . 18956 1
133 . 1 1 12 12 PHE HE2 H 1 7.483 0.005 . 3 . 119 . . 12 PHE HE2 . 18956 1
134 . 1 1 12 12 PHE HZ H 1 7.396 0.005 . 1 . 120 . . 12 PHE HZ . 18956 1
135 . 1 1 12 12 PHE C C 13 177.305 0.003 . 1 . 108 . . 12 PHE C . 18956 1
136 . 1 1 12 12 PHE CA C 13 58.257 0.034 . 1 . 109 . . 12 PHE CA . 18956 1
137 . 1 1 12 12 PHE CB C 13 39.402 0.037 . 1 . 110 . . 12 PHE CB . 18956 1
138 . 1 1 12 12 PHE CZ C 13 130.256 . . 1 . 111 . . 12 PHE CZ . 18956 1
139 . 1 1 12 12 PHE N N 15 117.491 0.047 . 1 . 121 . . 12 PHE N . 18956 1
140 . 1 1 13 13 GLY H H 1 7.550 0.004 . 1 . 124 . . 13 GLY H . 18956 1
141 . 1 1 13 13 GLY HA2 H 1 4.006 0.003 . 2 . 125 . . 13 GLY HA2 . 18956 1
142 . 1 1 13 13 GLY HA3 H 1 4.149 0.006 . 2 . 126 . . 13 GLY HA3 . 18956 1
143 . 1 1 13 13 GLY C C 13 175.154 0.001 . 1 . 122 . . 13 GLY C . 18956 1
144 . 1 1 13 13 GLY CA C 13 47.261 0.055 . 1 . 123 . . 13 GLY CA . 18956 1
145 . 1 1 13 13 GLY N N 15 108.143 0.031 . 1 . 127 . . 13 GLY N . 18956 1
146 . 1 1 14 14 ALA H H 1 9.622 0.003 . 1 . 131 . . 14 ALA H . 18956 1
147 . 1 1 14 14 ALA HA H 1 4.437 0.006 . 1 . 132 . . 14 ALA HA . 18956 1
148 . 1 1 14 14 ALA HB1 H 1 1.619 0.004 . 1 . 133 . . 14 ALA HB1 . 18956 1
149 . 1 1 14 14 ALA HB2 H 1 1.619 0.004 . 1 . 133 . . 14 ALA HB2 . 18956 1
150 . 1 1 14 14 ALA HB3 H 1 1.619 0.004 . 1 . 133 . . 14 ALA HB3 . 18956 1
151 . 1 1 14 14 ALA C C 13 177.654 0.007 . 1 . 128 . . 14 ALA C . 18956 1
152 . 1 1 14 14 ALA CA C 13 54.012 0.025 . 1 . 129 . . 14 ALA CA . 18956 1
153 . 1 1 14 14 ALA CB C 13 19.120 0.035 . 1 . 130 . . 14 ALA CB . 18956 1
154 . 1 1 14 14 ALA N N 15 129.182 0.031 . 1 . 134 . . 14 ALA N . 18956 1
155 . 1 1 15 15 LEU H H 1 8.135 0.005 . 1 . 141 . . 15 LEU H . 18956 1
156 . 1 1 15 15 LEU HA H 1 4.437 0.005 . 1 . 142 . . 15 LEU HA . 18956 1
157 . 1 1 15 15 LEU HB2 H 1 1.835 0.005 . 2 . 143 . . 15 LEU HB2 . 18956 1
158 . 1 1 15 15 LEU HB3 H 1 1.979 0.003 . 2 . 144 . . 15 LEU HB3 . 18956 1
159 . 1 1 15 15 LEU HG H 1 1.758 0.004 . 1 . 147 . . 15 LEU HG . 18956 1
160 . 1 1 15 15 LEU HD11 H 1 0.888 0.004 . 2 . 145 . . 15 LEU HD11 . 18956 1
161 . 1 1 15 15 LEU HD12 H 1 0.888 0.004 . 2 . 145 . . 15 LEU HD12 . 18956 1
162 . 1 1 15 15 LEU HD13 H 1 0.888 0.004 . 2 . 145 . . 15 LEU HD13 . 18956 1
163 . 1 1 15 15 LEU HD21 H 1 1.025 0.004 . 2 . 146 . . 15 LEU HD21 . 18956 1
164 . 1 1 15 15 LEU HD22 H 1 1.025 0.004 . 2 . 146 . . 15 LEU HD22 . 18956 1
165 . 1 1 15 15 LEU HD23 H 1 1.025 0.004 . 2 . 146 . . 15 LEU HD23 . 18956 1
166 . 1 1 15 15 LEU C C 13 176.267 0.001 . 1 . 135 . . 15 LEU C . 18956 1
167 . 1 1 15 15 LEU CA C 13 54.034 0.008 . 1 . 136 . . 15 LEU CA . 18956 1
168 . 1 1 15 15 LEU CB C 13 41.027 0.038 . 1 . 137 . . 15 LEU CB . 18956 1
169 . 1 1 15 15 LEU CG C 13 27.387 0.077 . 1 . 140 . . 15 LEU CG . 18956 1
170 . 1 1 15 15 LEU CD1 C 13 22.834 0.036 . 2 . 138 . . 15 LEU CD1 . 18956 1
171 . 1 1 15 15 LEU CD2 C 13 25.166 0.054 . 2 . 139 . . 15 LEU CD2 . 18956 1
172 . 1 1 15 15 LEU N N 15 116.912 0.034 . 1 . 148 . . 15 LEU N . 18956 1
173 . 1 1 16 16 CYS H H 1 7.191 0.003 . 1 . 152 . . 16 CYS H . 18956 1
174 . 1 1 16 16 CYS HA H 1 3.780 0.003 . 1 . 153 . . 16 CYS HA . 18956 1
175 . 1 1 16 16 CYS HB2 H 1 3.127 0.004 . 2 . 154 . . 16 CYS HB2 . 18956 1
176 . 1 1 16 16 CYS HB3 H 1 3.776 0.002 . 2 . 155 . . 16 CYS HB3 . 18956 1
177 . 1 1 16 16 CYS C C 13 175.951 0.002 . 1 . 149 . . 16 CYS C . 18956 1
178 . 1 1 16 16 CYS CA C 13 61.726 0.032 . 1 . 150 . . 16 CYS CA . 18956 1
179 . 1 1 16 16 CYS CB C 13 30.045 0.021 . 1 . 151 . . 16 CYS CB . 18956 1
180 . 1 1 16 16 CYS N N 15 122.715 0.033 . 1 . 156 . . 16 CYS N . 18956 1
181 . 1 1 17 17 SER H H 1 8.414 0.004 . 1 . 160 . . 17 SER H . 18956 1
182 . 1 1 17 17 SER HA H 1 4.583 0.007 . 1 . 161 . . 17 SER HA . 18956 1
183 . 1 1 17 17 SER HB2 H 1 3.671 0.007 . 2 . 162 . . 17 SER HB2 . 18956 1
184 . 1 1 17 17 SER HB3 H 1 4.105 0.007 . 2 . 163 . . 17 SER HB3 . 18956 1
185 . 1 1 17 17 SER C C 13 173.067 0.001 . 1 . 157 . . 17 SER C . 18956 1
186 . 1 1 17 17 SER CA C 13 57.563 0.051 . 1 . 158 . . 17 SER CA . 18956 1
187 . 1 1 17 17 SER CB C 13 64.284 0.061 . 1 . 159 . . 17 SER CB . 18956 1
188 . 1 1 17 17 SER N N 15 123.107 0.035 . 1 . 164 . . 17 SER N . 18956 1
189 . 1 1 18 18 ASN H H 1 7.965 0.004 . 1 . 168 . . 18 ASN H . 18956 1
190 . 1 1 18 18 ASN HA H 1 5.226 0.006 . 1 . 169 . . 18 ASN HA . 18956 1
191 . 1 1 18 18 ASN HB2 H 1 2.903 0.036 . 2 . 170 . . 18 ASN HB2 . 18956 1
192 . 1 1 18 18 ASN HB3 H 1 3.012 0.048 . 2 . 171 . . 18 ASN HB3 . 18956 1
193 . 1 1 18 18 ASN HD21 H 1 7.785 0.027 . 1 . 172 . . 18 ASN HD21 . 18956 1
194 . 1 1 18 18 ASN HD22 H 1 7.058 0.05 . 1 . 173 . . 18 ASN HD22 . 18956 1
195 . 1 1 18 18 ASN C C 13 173.987 . . 1 . 165 . . 18 ASN C . 18956 1
196 . 1 1 18 18 ASN CA C 13 49.266 0.062 . 1 . 166 . . 18 ASN CA . 18956 1
197 . 1 1 18 18 ASN CB C 13 40.046 0.049 . 1 . 167 . . 18 ASN CB . 18956 1
198 . 1 1 18 18 ASN N N 15 122.526 0.047 . 1 . 174 . . 18 ASN N . 18956 1
199 . 1 1 18 18 ASN ND2 N 15 111.034 0.001 . 1 . 175 . . 18 ASN ND2 . 18956 1
200 . 1 1 19 19 PRO HA H 1 4.076 0.005 . 1 . 181 . . 19 PRO HA . 18956 1
201 . 1 1 19 19 PRO HB2 H 1 1.972 0.008 . 2 . 182 . . 19 PRO HB2 . 18956 1
202 . 1 1 19 19 PRO HB3 H 1 2.075 0.006 . 2 . 183 . . 19 PRO HB3 . 18956 1
203 . 1 1 19 19 PRO HG2 H 1 1.867 0.007 . 2 . 186 . . 19 PRO HG2 . 18956 1
204 . 1 1 19 19 PRO HG3 H 1 2.006 0.006 . 2 . 187 . . 19 PRO HG3 . 18956 1
205 . 1 1 19 19 PRO HD2 H 1 3.957 0.005 . 2 . 184 . . 19 PRO HD2 . 18956 1
206 . 1 1 19 19 PRO HD3 H 1 4.099 0.006 . 2 . 185 . . 19 PRO HD3 . 18956 1
207 . 1 1 19 19 PRO C C 13 178.221 . . 1 . 176 . . 19 PRO C . 18956 1
208 . 1 1 19 19 PRO CA C 13 65.176 0.037 . 1 . 177 . . 19 PRO CA . 18956 1
209 . 1 1 19 19 PRO CB C 13 32.507 0.047 . 1 . 178 . . 19 PRO CB . 18956 1
210 . 1 1 19 19 PRO CG C 13 27.113 0.037 . 1 . 180 . . 19 PRO CG . 18956 1
211 . 1 1 19 19 PRO CD C 13 51.031 0.024 . 1 . 179 . . 19 PRO CD . 18956 1
212 . 1 1 20 20 SER H H 1 7.504 0.004 . 1 . 191 . . 20 SER H . 18956 1
213 . 1 1 20 20 SER HA H 1 4.505 0.007 . 1 . 192 . . 20 SER HA . 18956 1
214 . 1 1 20 20 SER HB2 H 1 3.865 0.009 . 2 . 193 . . 20 SER HB2 . 18956 1
215 . 1 1 20 20 SER HB3 H 1 3.916 0.006 . 2 . 194 . . 20 SER HB3 . 18956 1
216 . 1 1 20 20 SER C C 13 173.354 . . 1 . 188 . . 20 SER C . 18956 1
217 . 1 1 20 20 SER CA C 13 57.044 0.046 . 1 . 189 . . 20 SER CA . 18956 1
218 . 1 1 20 20 SER CB C 13 62.939 0.073 . 1 . 190 . . 20 SER CB . 18956 1
219 . 1 1 20 20 SER N N 15 111.406 0.041 . 1 . 195 . . 20 SER N . 18956 1
220 . 1 1 21 21 CYS H H 1 7.748 0.005 . 1 . 199 . . 21 CYS H . 18956 1
221 . 1 1 21 21 CYS HA H 1 4.181 0.004 . 1 . 200 . . 21 CYS HA . 18956 1
222 . 1 1 21 21 CYS HB2 H 1 2.999 0.004 . 2 . 201 . . 21 CYS HB2 . 18956 1
223 . 1 1 21 21 CYS HB3 H 1 3.443 0.004 . 2 . 202 . . 21 CYS HB3 . 18956 1
224 . 1 1 21 21 CYS C C 13 176.747 . . 1 . 196 . . 21 CYS C . 18956 1
225 . 1 1 21 21 CYS CA C 13 58.150 0.051 . 1 . 197 . . 21 CYS CA . 18956 1
226 . 1 1 21 21 CYS CB C 13 32.118 0.04 . 1 . 198 . . 21 CYS CB . 18956 1
227 . 1 1 21 21 CYS N N 15 126.372 0.034 . 1 . 203 . . 21 CYS N . 18956 1
228 . 1 1 22 22 PRO HA H 1 4.808 0.004 . 1 . 209 . . 22 PRO HA . 18956 1
229 . 1 1 22 22 PRO HB2 H 1 1.978 0.01 . 2 . 210 . . 22 PRO HB2 . 18956 1
230 . 1 1 22 22 PRO HB3 H 1 2.026 0.006 . 2 . 211 . . 22 PRO HB3 . 18956 1
231 . 1 1 22 22 PRO HG2 H 1 0.617 0.005 . 2 . 214 . . 22 PRO HG2 . 18956 1
232 . 1 1 22 22 PRO HG3 H 1 1.699 0.007 . 2 . 215 . . 22 PRO HG3 . 18956 1
233 . 1 1 22 22 PRO HD2 H 1 3.485 0.003 . 2 . 212 . . 22 PRO HD2 . 18956 1
234 . 1 1 22 22 PRO HD3 H 1 3.679 0.005 . 2 . 213 . . 22 PRO HD3 . 18956 1
235 . 1 1 22 22 PRO C C 13 176.293 . . 1 . 204 . . 22 PRO C . 18956 1
236 . 1 1 22 22 PRO CA C 13 63.922 0.051 . 1 . 205 . . 22 PRO CA . 18956 1
237 . 1 1 22 22 PRO CB C 13 32.125 0.032 . 1 . 206 . . 22 PRO CB . 18956 1
238 . 1 1 22 22 PRO CG C 13 25.054 0.052 . 1 . 208 . . 22 PRO CG . 18956 1
239 . 1 1 22 22 PRO CD C 13 51.350 0.031 . 1 . 207 . . 22 PRO CD . 18956 1
240 . 1 1 23 23 PHE H H 1 8.313 0.009 . 1 . 220 . . 23 PHE H . 18956 1
241 . 1 1 23 23 PHE HA H 1 5.282 0.002 . 1 . 221 . . 23 PHE HA . 18956 1
242 . 1 1 23 23 PHE HB2 H 1 2.767 0.003 . 2 . 222 . . 23 PHE HB2 . 18956 1
243 . 1 1 23 23 PHE HB3 H 1 3.435 0.004 . 2 . 223 . . 23 PHE HB3 . 18956 1
244 . 1 1 23 23 PHE HD1 H 1 7.489 0.004 . 3 . 224 . . 23 PHE HD1 . 18956 1
245 . 1 1 23 23 PHE HD2 H 1 7.489 0.004 . 3 . 225 . . 23 PHE HD2 . 18956 1
246 . 1 1 23 23 PHE HE1 H 1 7.440 0.006 . 3 . 226 . . 23 PHE HE1 . 18956 1
247 . 1 1 23 23 PHE HE2 H 1 7.440 0.006 . 3 . 227 . . 23 PHE HE2 . 18956 1
248 . 1 1 23 23 PHE HZ H 1 7.368 0.006 . 1 . 228 . . 23 PHE HZ . 18956 1
249 . 1 1 23 23 PHE C C 13 175.181 0.011 . 1 . 216 . . 23 PHE C . 18956 1
250 . 1 1 23 23 PHE CA C 13 56.319 0.043 . 1 . 217 . . 23 PHE CA . 18956 1
251 . 1 1 23 23 PHE CB C 13 39.454 0.056 . 1 . 218 . . 23 PHE CB . 18956 1
252 . 1 1 23 23 PHE CZ C 13 130.223 . . 1 . 219 . . 23 PHE CZ . 18956 1
253 . 1 1 23 23 PHE N N 15 122.651 0.071 . 1 . 229 . . 23 PHE N . 18956 1
254 . 1 1 24 24 GLY H H 1 9.574 0.003 . 1 . 232 . . 24 GLY H . 18956 1
255 . 1 1 24 24 GLY HA2 H 1 2.919 0.003 . 2 . 233 . . 24 GLY HA2 . 18956 1
256 . 1 1 24 24 GLY HA3 H 1 4.546 0.003 . 2 . 234 . . 24 GLY HA3 . 18956 1
257 . 1 1 24 24 GLY C C 13 173.702 0.003 . 1 . 230 . . 24 GLY C . 18956 1
258 . 1 1 24 24 GLY CA C 13 46.556 0.011 . 1 . 231 . . 24 GLY CA . 18956 1
259 . 1 1 24 24 GLY N N 15 103.653 0.049 . 1 . 235 . . 24 GLY N . 18956 1
260 . 1 1 25 25 HIS H H 1 9.571 0.003 . 1 . 241 . . 25 HIS H . 18956 1
261 . 1 1 25 25 HIS HA H 1 5.056 0.004 . 1 . 242 . . 25 HIS HA . 18956 1
262 . 1 1 25 25 HIS HB2 H 1 3.029 0.111 . 2 . 243 . . 25 HIS HB2 . 18956 1
263 . 1 1 25 25 HIS HB3 H 1 3.324 0.111 . 2 . 244 . . 25 HIS HB3 . 18956 1
264 . 1 1 25 25 HIS HD1 H 1 11.848 0.001 . 1 . 245 . . 25 HIS HD1 . 18956 1
265 . 1 1 25 25 HIS HD2 H 1 7.583 0.004 . 1 . 246 . . 25 HIS HD2 . 18956 1
266 . 1 1 25 25 HIS HE1 H 1 8.000 0.003 . 1 . 247 . . 25 HIS HE1 . 18956 1
267 . 1 1 25 25 HIS C C 13 172.265 . . 1 . 236 . . 25 HIS C . 18956 1
268 . 1 1 25 25 HIS CA C 13 55.596 0.015 . 1 . 237 . . 25 HIS CA . 18956 1
269 . 1 1 25 25 HIS CB C 13 28.447 0.015 . 1 . 238 . . 25 HIS CB . 18956 1
270 . 1 1 25 25 HIS CD2 C 13 127.009 . . 1 . 239 . . 25 HIS CD2 . 18956 1
271 . 1 1 25 25 HIS CE1 C 13 139.958 0.005 . 1 . 240 . . 25 HIS CE1 . 18956 1
272 . 1 1 25 25 HIS N N 15 123.720 0.037 . 1 . 248 . . 25 HIS N . 18956 1
273 . 1 1 25 25 HIS ND1 N 15 172.204 0.037 . 1 . 249 . . 25 HIS ND1 . 18956 1
274 . 1 1 25 25 HIS NE2 N 15 221.214 . . 1 . 250 . . 25 HIS NE2 . 18956 1
275 . 1 1 26 26 PRO HA H 1 4.652 0.007 . 1 . 256 . . 26 PRO HA . 18956 1
276 . 1 1 26 26 PRO HB2 H 1 2.106 0.004 . 2 . 257 . . 26 PRO HB2 . 18956 1
277 . 1 1 26 26 PRO HB3 H 1 2.371 0.003 . 2 . 258 . . 26 PRO HB3 . 18956 1
278 . 1 1 26 26 PRO HG2 H 1 2.183 0.005 . 1 . 261 . . 26 PRO HG2 . 18956 1
279 . 1 1 26 26 PRO HG3 H 1 2.183 0.005 . 1 . 262 . . 26 PRO HG3 . 18956 1
280 . 1 1 26 26 PRO HD2 H 1 3.933 0.124 . 2 . 259 . . 26 PRO HD2 . 18956 1
281 . 1 1 26 26 PRO HD3 H 1 3.626 0.086 . 2 . 260 . . 26 PRO HD3 . 18956 1
282 . 1 1 26 26 PRO C C 13 173.454 . . 1 . 251 . . 26 PRO C . 18956 1
283 . 1 1 26 26 PRO CA C 13 62.044 0.047 . 1 . 252 . . 26 PRO CA . 18956 1
284 . 1 1 26 26 PRO CB C 13 33.180 0.058 . 1 . 253 . . 26 PRO CB . 18956 1
285 . 1 1 26 26 PRO CG C 13 27.684 0.046 . 1 . 255 . . 26 PRO CG . 18956 1
286 . 1 1 26 26 PRO CD C 13 50.707 0.033 . 1 . 254 . . 26 PRO CD . 18956 1
287 . 1 1 27 27 THR H H 1 7.821 0.004 . 1 . 267 . . 27 THR H . 18956 1
288 . 1 1 27 27 THR HA H 1 2.475 0.001 . 1 . 268 . . 27 THR HA . 18956 1
289 . 1 1 27 27 THR HB H 1 4.212 0.004 . 1 . 269 . . 27 THR HB . 18956 1
290 . 1 1 27 27 THR HG1 H 1 5.613 0.002 . 1 . 270 . . 27 THR HG1 . 18956 1
291 . 1 1 27 27 THR HG21 H 1 1.344 0.004 . 1 . 271 . . 27 THR HG21 . 18956 1
292 . 1 1 27 27 THR HG22 H 1 1.344 0.004 . 1 . 271 . . 27 THR HG22 . 18956 1
293 . 1 1 27 27 THR HG23 H 1 1.344 0.004 . 1 . 271 . . 27 THR HG23 . 18956 1
294 . 1 1 27 27 THR C C 13 172.749 . . 1 . 263 . . 27 THR C . 18956 1
295 . 1 1 27 27 THR CA C 13 56.054 0.049 . 1 . 264 . . 27 THR CA . 18956 1
296 . 1 1 27 27 THR CB C 13 68.757 0.021 . 1 . 265 . . 27 THR CB . 18956 1
297 . 1 1 27 27 THR CG2 C 13 20.437 0.052 . 1 . 266 . . 27 THR CG2 . 18956 1
298 . 1 1 27 27 THR N N 15 115.530 0.047 . 1 . 272 . . 27 THR N . 18956 1
299 . 1 1 28 28 PRO HA H 1 4.276 0.003 . 1 . 278 . . 28 PRO HA . 18956 1
300 . 1 1 28 28 PRO HB2 H 1 1.947 0.004 . 2 . 279 . . 28 PRO HB2 . 18956 1
301 . 1 1 28 28 PRO HB3 H 1 2.254 0.004 . 2 . 280 . . 28 PRO HB3 . 18956 1
302 . 1 1 28 28 PRO HG2 H 1 2.139 0.068 . 2 . 283 . . 28 PRO HG2 . 18956 1
303 . 1 1 28 28 PRO HG3 H 1 2.056 0.077 . 2 . 284 . . 28 PRO HG3 . 18956 1
304 . 1 1 28 28 PRO HD2 H 1 3.373 0.004 . 2 . 281 . . 28 PRO HD2 . 18956 1
305 . 1 1 28 28 PRO HD3 H 1 3.771 0.002 . 2 . 282 . . 28 PRO HD3 . 18956 1
306 . 1 1 28 28 PRO C C 13 177.076 . . 1 . 273 . . 28 PRO C . 18956 1
307 . 1 1 28 28 PRO CA C 13 63.871 0.035 . 1 . 274 . . 28 PRO CA . 18956 1
308 . 1 1 28 28 PRO CB C 13 32.082 0.044 . 1 . 275 . . 28 PRO CB . 18956 1
309 . 1 1 28 28 PRO CG C 13 26.778 0.041 . 1 . 277 . . 28 PRO CG . 18956 1
310 . 1 1 28 28 PRO CD C 13 52.164 0.01 . 1 . 276 . . 28 PRO CD . 18956 1
311 . 1 1 29 29 ALA H H 1 8.013 0.004 . 1 . 288 . . 29 ALA H . 18956 1
312 . 1 1 29 29 ALA HA H 1 4.144 0.006 . 1 . 289 . . 29 ALA HA . 18956 1
313 . 1 1 29 29 ALA HB1 H 1 1.073 0.003 . 1 . 290 . . 29 ALA HB1 . 18956 1
314 . 1 1 29 29 ALA HB2 H 1 1.073 0.003 . 1 . 290 . . 29 ALA HB2 . 18956 1
315 . 1 1 29 29 ALA HB3 H 1 1.073 0.003 . 1 . 290 . . 29 ALA HB3 . 18956 1
316 . 1 1 29 29 ALA C C 13 177.067 . . 1 . 285 . . 29 ALA C . 18956 1
317 . 1 1 29 29 ALA CA C 13 52.433 0.036 . 1 . 286 . . 29 ALA CA . 18956 1
318 . 1 1 29 29 ALA CB C 13 18.426 0.044 . 1 . 287 . . 29 ALA CB . 18956 1
319 . 1 1 29 29 ALA N N 15 118.634 0.028 . 1 . 291 . . 29 ALA N . 18956 1
320 . 1 1 30 30 ASN H H 1 7.440 0.003 . 1 . 295 . . 30 ASN H . 18956 1
321 . 1 1 30 30 ASN HA H 1 4.666 0.006 . 1 . 296 . . 30 ASN HA . 18956 1
322 . 1 1 30 30 ASN HB2 H 1 2.825 0.004 . 2 . 297 . . 30 ASN HB2 . 18956 1
323 . 1 1 30 30 ASN HB3 H 1 2.912 0.005 . 2 . 298 . . 30 ASN HB3 . 18956 1
324 . 1 1 30 30 ASN HD21 H 1 7.526 0.002 . 1 . 299 . . 30 ASN HD21 . 18956 1
325 . 1 1 30 30 ASN HD22 H 1 7.072 0.002 . 1 . 300 . . 30 ASN HD22 . 18956 1
326 . 1 1 30 30 ASN C C 13 173.757 0.001 . 1 . 292 . . 30 ASN C . 18956 1
327 . 1 1 30 30 ASN CA C 13 52.910 0.022 . 1 . 293 . . 30 ASN CA . 18956 1
328 . 1 1 30 30 ASN CB C 13 38.804 0.018 . 1 . 294 . . 30 ASN CB . 18956 1
329 . 1 1 30 30 ASN N N 15 114.402 0.035 . 1 . 301 . . 30 ASN N . 18956 1
330 . 1 1 30 30 ASN ND2 N 15 109.566 0.003 . 1 . 302 . . 30 ASN ND2 . 18956 1
331 . 1 1 31 31 GLU H H 1 9.110 0.005 . 1 . 307 . . 31 GLU H . 18956 1
332 . 1 1 31 31 GLU HA H 1 4.258 0.008 . 1 . 308 . . 31 GLU HA . 18956 1
333 . 1 1 31 31 GLU HB2 H 1 1.972 0.001 . 2 . 309 . . 31 GLU HB2 . 18956 1
334 . 1 1 31 31 GLU HB3 H 1 2.022 0.004 . 2 . 310 . . 31 GLU HB3 . 18956 1
335 . 1 1 31 31 GLU HG2 H 1 2.245 0.005 . 1 . 311 . . 31 GLU HG2 . 18956 1
336 . 1 1 31 31 GLU HG3 H 1 2.245 0.005 . 1 . 312 . . 31 GLU HG3 . 18956 1
337 . 1 1 31 31 GLU C C 13 176.144 0.001 . 1 . 303 . . 31 GLU C . 18956 1
338 . 1 1 31 31 GLU CA C 13 58.293 0.028 . 1 . 304 . . 31 GLU CA . 18956 1
339 . 1 1 31 31 GLU CB C 13 29.078 0.015 . 1 . 305 . . 31 GLU CB . 18956 1
340 . 1 1 31 31 GLU CG C 13 35.717 0.017 . 1 . 306 . . 31 GLU CG . 18956 1
341 . 1 1 31 31 GLU N N 15 125.265 0.058 . 1 . 313 . . 31 GLU N . 18956 1
342 . 1 1 32 32 ASP H H 1 7.858 0.003 . 1 . 317 . . 32 ASP H . 18956 1
343 . 1 1 32 32 ASP HA H 1 4.850 0.002 . 1 . 318 . . 32 ASP HA . 18956 1
344 . 1 1 32 32 ASP HB2 H 1 2.537 0.006 . 2 . 319 . . 32 ASP HB2 . 18956 1
345 . 1 1 32 32 ASP HB3 H 1 2.852 0.005 . 2 . 320 . . 32 ASP HB3 . 18956 1
346 . 1 1 32 32 ASP C C 13 176.080 . . 1 . 314 . . 32 ASP C . 18956 1
347 . 1 1 32 32 ASP CA C 13 53.936 0.017 . 1 . 315 . . 32 ASP CA . 18956 1
348 . 1 1 32 32 ASP CB C 13 41.788 0.039 . 1 . 316 . . 32 ASP CB . 18956 1
349 . 1 1 32 32 ASP N N 15 117.343 0.032 . 1 . 321 . . 32 ASP N . 18956 1
350 . 1 1 33 33 ALA H H 1 7.544 0.003 . 1 . 325 . . 33 ALA H . 18956 1
351 . 1 1 33 33 ALA HA H 1 4.133 0.006 . 1 . 326 . . 33 ALA HA . 18956 1
352 . 1 1 33 33 ALA HB1 H 1 1.589 0.002 . 1 . 327 . . 33 ALA HB1 . 18956 1
353 . 1 1 33 33 ALA HB2 H 1 1.589 0.002 . 1 . 327 . . 33 ALA HB2 . 18956 1
354 . 1 1 33 33 ALA HB3 H 1 1.589 0.002 . 1 . 327 . . 33 ALA HB3 . 18956 1
355 . 1 1 33 33 ALA C C 13 176.096 0.002 . 1 . 322 . . 33 ALA C . 18956 1
356 . 1 1 33 33 ALA CA C 13 53.017 0.014 . 1 . 323 . . 33 ALA CA . 18956 1
357 . 1 1 33 33 ALA CB C 13 20.528 0.037 . 1 . 324 . . 33 ALA CB . 18956 1
358 . 1 1 33 33 ALA N N 15 123.732 0.037 . 1 . 328 . . 33 ALA N . 18956 1
359 . 1 1 34 34 LYS H H 1 7.942 0.003 . 1 . 335 . . 34 LYS H . 18956 1
360 . 1 1 34 34 LYS HA H 1 4.541 0.006 . 1 . 336 . . 34 LYS HA . 18956 1
361 . 1 1 34 34 LYS HB2 H 1 1.657 0.005 . 1 . 337 . . 34 LYS HB2 . 18956 1
362 . 1 1 34 34 LYS HB3 H 1 1.657 0.005 . 1 . 338 . . 34 LYS HB3 . 18956 1
363 . 1 1 34 34 LYS HG2 H 1 1.394 0.003 . 2 . 343 . . 34 LYS HG2 . 18956 1
364 . 1 1 34 34 LYS HG3 H 1 1.445 0.003 . 2 . 344 . . 34 LYS HG3 . 18956 1
365 . 1 1 34 34 LYS HD2 H 1 1.625 0.001 . 1 . 339 . . 34 LYS HD2 . 18956 1
366 . 1 1 34 34 LYS HD3 H 1 1.625 0.001 . 1 . 340 . . 34 LYS HD3 . 18956 1
367 . 1 1 34 34 LYS HE2 H 1 2.968 0.005 . 1 . 341 . . 34 LYS HE2 . 18956 1
368 . 1 1 34 34 LYS HE3 H 1 2.968 0.005 . 1 . 342 . . 34 LYS HE3 . 18956 1
369 . 1 1 34 34 LYS C C 13 175.592 0.001 . 1 . 329 . . 34 LYS C . 18956 1
370 . 1 1 34 34 LYS CA C 13 54.037 0.032 . 1 . 330 . . 34 LYS CA . 18956 1
371 . 1 1 34 34 LYS CB C 13 34.030 0.053 . 1 . 331 . . 34 LYS CB . 18956 1
372 . 1 1 34 34 LYS CG C 13 24.683 0.011 . 1 . 334 . . 34 LYS CG . 18956 1
373 . 1 1 34 34 LYS CD C 13 28.586 0.025 . 1 . 332 . . 34 LYS CD . 18956 1
374 . 1 1 34 34 LYS CE C 13 41.934 0.017 . 1 . 333 . . 34 LYS CE . 18956 1
375 . 1 1 34 34 LYS N N 15 118.521 0.028 . 1 . 345 . . 34 LYS N . 18956 1
376 . 1 1 35 35 VAL H H 1 8.328 0.003 . 1 . 351 . . 35 VAL H . 18956 1
377 . 1 1 35 35 VAL HA H 1 3.696 0.004 . 1 . 352 . . 35 VAL HA . 18956 1
378 . 1 1 35 35 VAL HB H 1 1.907 0.003 . 1 . 353 . . 35 VAL HB . 18956 1
379 . 1 1 35 35 VAL HG11 H 1 0.456 0.002 . 2 . 354 . . 35 VAL HG11 . 18956 1
380 . 1 1 35 35 VAL HG12 H 1 0.456 0.002 . 2 . 354 . . 35 VAL HG12 . 18956 1
381 . 1 1 35 35 VAL HG13 H 1 0.456 0.002 . 2 . 354 . . 35 VAL HG13 . 18956 1
382 . 1 1 35 35 VAL HG21 H 1 0.705 0.004 . 2 . 355 . . 35 VAL HG21 . 18956 1
383 . 1 1 35 35 VAL HG22 H 1 0.705 0.004 . 2 . 355 . . 35 VAL HG22 . 18956 1
384 . 1 1 35 35 VAL HG23 H 1 0.705 0.004 . 2 . 355 . . 35 VAL HG23 . 18956 1
385 . 1 1 35 35 VAL C C 13 175.022 0.016 . 1 . 346 . . 35 VAL C . 18956 1
386 . 1 1 35 35 VAL CA C 13 62.405 0.021 . 1 . 347 . . 35 VAL CA . 18956 1
387 . 1 1 35 35 VAL CB C 13 29.745 0.068 . 1 . 348 . . 35 VAL CB . 18956 1
388 . 1 1 35 35 VAL CG1 C 13 20.394 0.027 . 2 . 349 . . 35 VAL CG1 . 18956 1
389 . 1 1 35 35 VAL CG2 C 13 21.661 0.006 . 2 . 350 . . 35 VAL CG2 . 18956 1
390 . 1 1 35 35 VAL N N 15 123.008 0.047 . 1 . 356 . . 35 VAL N . 18956 1
391 . 1 1 36 36 ILE H H 1 8.004 0.004 . 1 . 363 . . 36 ILE H . 18956 1
392 . 1 1 36 36 ILE HA H 1 4.218 0.008 . 1 . 364 . . 36 ILE HA . 18956 1
393 . 1 1 36 36 ILE HB H 1 1.758 0.004 . 1 . 365 . . 36 ILE HB . 18956 1
394 . 1 1 36 36 ILE HG12 H 1 1.118 0.005 . 2 . 367 . . 36 ILE HG12 . 18956 1
395 . 1 1 36 36 ILE HG13 H 1 1.386 0.006 . 2 . 368 . . 36 ILE HG13 . 18956 1
396 . 1 1 36 36 ILE HG21 H 1 0.876 0.004 . 1 . 369 . . 36 ILE HG21 . 18956 1
397 . 1 1 36 36 ILE HG22 H 1 0.876 0.004 . 1 . 369 . . 36 ILE HG22 . 18956 1
398 . 1 1 36 36 ILE HG23 H 1 0.876 0.004 . 1 . 369 . . 36 ILE HG23 . 18956 1
399 . 1 1 36 36 ILE HD11 H 1 0.830 0.006 . 1 . 366 . . 36 ILE HD11 . 18956 1
400 . 1 1 36 36 ILE HD12 H 1 0.830 0.006 . 1 . 366 . . 36 ILE HD12 . 18956 1
401 . 1 1 36 36 ILE HD13 H 1 0.830 0.006 . 1 . 366 . . 36 ILE HD13 . 18956 1
402 . 1 1 36 36 ILE C C 13 174.939 0.026 . 1 . 357 . . 36 ILE C . 18956 1
403 . 1 1 36 36 ILE CA C 13 60.911 0.013 . 1 . 358 . . 36 ILE CA . 18956 1
404 . 1 1 36 36 ILE CB C 13 40.955 0.062 . 1 . 359 . . 36 ILE CB . 18956 1
405 . 1 1 36 36 ILE CG1 C 13 27.005 0.051 . 1 . 361 . . 36 ILE CG1 . 18956 1
406 . 1 1 36 36 ILE CG2 C 13 17.686 0.038 . 1 . 362 . . 36 ILE CG2 . 18956 1
407 . 1 1 36 36 ILE CD1 C 13 12.795 0.022 . 1 . 360 . . 36 ILE CD1 . 18956 1
408 . 1 1 36 36 ILE N N 15 123.995 0.038 . 1 . 370 . . 36 ILE N . 18956 1
409 . 1 1 37 37 ASP H H 1 8.161 0.003 . 1 . 374 . . 37 ASP H . 18956 1
410 . 1 1 37 37 ASP HA H 1 4.738 0.01 . 1 . 375 . . 37 ASP HA . 18956 1
411 . 1 1 37 37 ASP HB2 H 1 2.316 0.005 . 2 . 376 . . 37 ASP HB2 . 18956 1
412 . 1 1 37 37 ASP HB3 H 1 2.475 0.006 . 2 . 377 . . 37 ASP HB3 . 18956 1
413 . 1 1 37 37 ASP C C 13 175.225 . . 1 . 371 . . 37 ASP C . 18956 1
414 . 1 1 37 37 ASP CA C 13 52.902 0.041 . 1 . 372 . . 37 ASP CA . 18956 1
415 . 1 1 37 37 ASP CB C 13 41.712 0.044 . 1 . 373 . . 37 ASP CB . 18956 1
416 . 1 1 37 37 ASP N N 15 123.355 0.028 . 1 . 378 . . 37 ASP N . 18956 1
417 . 1 1 38 38 LEU H H 1 8.338 0.012 . 1 . 385 . . 38 LEU H . 18956 1
418 . 1 1 38 38 LEU HA H 1 3.829 0.003 . 1 . 386 . . 38 LEU HA . 18956 1
419 . 1 1 38 38 LEU HB2 H 1 1.158 0.004 . 2 . 387 . . 38 LEU HB2 . 18956 1
420 . 1 1 38 38 LEU HB3 H 1 1.660 0.003 . 2 . 388 . . 38 LEU HB3 . 18956 1
421 . 1 1 38 38 LEU HG H 1 1.469 0.004 . 1 . 391 . . 38 LEU HG . 18956 1
422 . 1 1 38 38 LEU HD11 H 1 0.504 0.003 . 2 . 389 . . 38 LEU HD11 . 18956 1
423 . 1 1 38 38 LEU HD12 H 1 0.504 0.003 . 2 . 389 . . 38 LEU HD12 . 18956 1
424 . 1 1 38 38 LEU HD13 H 1 0.504 0.003 . 2 . 389 . . 38 LEU HD13 . 18956 1
425 . 1 1 38 38 LEU HD21 H 1 0.834 0.005 . 2 . 390 . . 38 LEU HD21 . 18956 1
426 . 1 1 38 38 LEU HD22 H 1 0.834 0.005 . 2 . 390 . . 38 LEU HD22 . 18956 1
427 . 1 1 38 38 LEU HD23 H 1 0.834 0.005 . 2 . 390 . . 38 LEU HD23 . 18956 1
428 . 1 1 38 38 LEU C C 13 174.839 0.001 . 1 . 379 . . 38 LEU C . 18956 1
429 . 1 1 38 38 LEU CA C 13 53.677 0.017 . 1 . 380 . . 38 LEU CA . 18956 1
430 . 1 1 38 38 LEU CB C 13 38.177 0.011 . 1 . 381 . . 38 LEU CB . 18956 1
431 . 1 1 38 38 LEU CG C 13 26.542 0.069 . 1 . 384 . . 38 LEU CG . 18956 1
432 . 1 1 38 38 LEU CD1 C 13 22.626 0.017 . 2 . 382 . . 38 LEU CD1 . 18956 1
433 . 1 1 38 38 LEU CD2 C 13 25.055 0.033 . 2 . 383 . . 38 LEU CD2 . 18956 1
434 . 1 1 38 38 LEU N N 15 124.963 0.081 . 1 . 392 . . 38 LEU N . 18956 1
435 . 1 1 39 39 MET H H 1 8.690 0.003 . 1 . 398 . . 39 MET H . 18956 1
436 . 1 1 39 39 MET HA H 1 4.279 0.004 . 1 . 399 . . 39 MET HA . 18956 1
437 . 1 1 39 39 MET HB2 H 1 1.691 0.008 . 2 . 400 . . 39 MET HB2 . 18956 1
438 . 1 1 39 39 MET HB3 H 1 1.910 0.004 . 2 . 401 . . 39 MET HB3 . 18956 1
439 . 1 1 39 39 MET HG2 H 1 2.246 0.007 . 2 . 403 . . 39 MET HG2 . 18956 1
440 . 1 1 39 39 MET HG3 H 1 2.322 0.006 . 2 . 404 . . 39 MET HG3 . 18956 1
441 . 1 1 39 39 MET HE1 H 1 2.086 0.004 . 1 . 402 . . 39 MET HE1 . 18956 1
442 . 1 1 39 39 MET HE2 H 1 2.086 0.004 . 1 . 402 . . 39 MET HE2 . 18956 1
443 . 1 1 39 39 MET HE3 H 1 2.086 0.004 . 1 . 402 . . 39 MET HE3 . 18956 1
444 . 1 1 39 39 MET C C 13 174.062 0.001 . 1 . 393 . . 39 MET C . 18956 1
445 . 1 1 39 39 MET CA C 13 53.738 0.011 . 1 . 394 . . 39 MET CA . 18956 1
446 . 1 1 39 39 MET CB C 13 36.451 0.031 . 1 . 395 . . 39 MET CB . 18956 1
447 . 1 1 39 39 MET CG C 13 30.987 0.015 . 1 . 397 . . 39 MET CG . 18956 1
448 . 1 1 39 39 MET CE C 13 16.909 . . 1 . 396 . . 39 MET CE . 18956 1
449 . 1 1 39 39 MET N N 15 123.288 0.032 . 1 . 405 . . 39 MET N . 18956 1
450 . 1 1 40 40 TRP H H 1 8.608 0.004 . 1 . 414 . . 40 TRP H . 18956 1
451 . 1 1 40 40 TRP HA H 1 4.645 0.004 . 1 . 415 . . 40 TRP HA . 18956 1
452 . 1 1 40 40 TRP HB2 H 1 2.930 0.004 . 2 . 416 . . 40 TRP HB2 . 18956 1
453 . 1 1 40 40 TRP HB3 H 1 3.190 0.004 . 2 . 417 . . 40 TRP HB3 . 18956 1
454 . 1 1 40 40 TRP HD1 H 1 7.300 0.005 . 1 . 418 . . 40 TRP HD1 . 18956 1
455 . 1 1 40 40 TRP HE1 H 1 10.099 0.002 . 1 . 419 . . 40 TRP HE1 . 18956 1
456 . 1 1 40 40 TRP HE3 H 1 7.311 0.002 . 1 . 420 . . 40 TRP HE3 . 18956 1
457 . 1 1 40 40 TRP HZ2 H 1 7.435 0.004 . 1 . 422 . . 40 TRP HZ2 . 18956 1
458 . 1 1 40 40 TRP HZ3 H 1 6.845 0.002 . 1 . 423 . . 40 TRP HZ3 . 18956 1
459 . 1 1 40 40 TRP HH2 H 1 6.929 0.003 . 1 . 421 . . 40 TRP HH2 . 18956 1
460 . 1 1 40 40 TRP C C 13 176.531 0.001 . 1 . 406 . . 40 TRP C . 18956 1
461 . 1 1 40 40 TRP CA C 13 56.729 0.035 . 1 . 407 . . 40 TRP CA . 18956 1
462 . 1 1 40 40 TRP CB C 13 28.938 0.012 . 1 . 408 . . 40 TRP CB . 18956 1
463 . 1 1 40 40 TRP CD1 C 13 128.089 . . 1 . 409 . . 40 TRP CD1 . 18956 1
464 . 1 1 40 40 TRP CE3 C 13 120.610 . . 1 . 410 . . 40 TRP CE3 . 18956 1
465 . 1 1 40 40 TRP CZ2 C 13 132.031 . . 1 . 412 . . 40 TRP CZ2 . 18956 1
466 . 1 1 40 40 TRP CZ3 C 13 120.810 . . 1 . 413 . . 40 TRP CZ3 . 18956 1
467 . 1 1 40 40 TRP CH2 C 13 124.379 . . 1 . 411 . . 40 TRP CH2 . 18956 1
468 . 1 1 40 40 TRP N N 15 123.202 0.03 . 1 . 424 . . 40 TRP N . 18956 1
469 . 1 1 40 40 TRP NE1 N 15 129.076 . . 1 . 425 . . 40 TRP NE1 . 18956 1
470 . 1 1 41 41 CYS H H 1 9.076 0.003 . 1 . 429 . . 41 CYS H . 18956 1
471 . 1 1 41 41 CYS HA H 1 3.961 0.004 . 1 . 430 . . 41 CYS HA . 18956 1
472 . 1 1 41 41 CYS HB2 H 1 2.271 0.107 . 2 . 431 . . 41 CYS HB2 . 18956 1
473 . 1 1 41 41 CYS HB3 H 1 2.033 0.114 . 2 . 432 . . 41 CYS HB3 . 18956 1
474 . 1 1 41 41 CYS C C 13 176.851 0.003 . 1 . 426 . . 41 CYS C . 18956 1
475 . 1 1 41 41 CYS CA C 13 60.118 0.071 . 1 . 427 . . 41 CYS CA . 18956 1
476 . 1 1 41 41 CYS CB C 13 30.098 0.038 . 1 . 428 . . 41 CYS CB . 18956 1
477 . 1 1 41 41 CYS N N 15 127.844 0.025 . 1 . 433 . . 41 CYS N . 18956 1
478 . 1 1 42 42 ASP H H 1 9.003 0.005 . 1 . 437 . . 42 ASP H . 18956 1
479 . 1 1 42 42 ASP HA H 1 4.391 0.005 . 1 . 438 . . 42 ASP HA . 18956 1
480 . 1 1 42 42 ASP HB2 H 1 2.772 0.007 . 2 . 439 . . 42 ASP HB2 . 18956 1
481 . 1 1 42 42 ASP HB3 H 1 2.800 0.006 . 2 . 440 . . 42 ASP HB3 . 18956 1
482 . 1 1 42 42 ASP C C 13 177.467 0.003 . 1 . 434 . . 42 ASP C . 18956 1
483 . 1 1 42 42 ASP CA C 13 57.314 0.021 . 1 . 435 . . 42 ASP CA . 18956 1
484 . 1 1 42 42 ASP CB C 13 40.307 0.013 . 1 . 436 . . 42 ASP CB . 18956 1
485 . 1 1 42 42 ASP N N 15 130.323 0.036 . 1 . 441 . . 42 ASP N . 18956 1
486 . 1 1 43 43 LYS H H 1 8.195 0.003 . 1 . 448 . . 43 LYS H . 18956 1
487 . 1 1 43 43 LYS HA H 1 4.185 0.01 . 1 . 449 . . 43 LYS HA . 18956 1
488 . 1 1 43 43 LYS HB2 H 1 1.699 0.006 . 1 . 450 . . 43 LYS HB2 . 18956 1
489 . 1 1 43 43 LYS HB3 H 1 1.699 0.006 . 1 . 451 . . 43 LYS HB3 . 18956 1
490 . 1 1 43 43 LYS HG2 H 1 1.378 0.005 . 2 . 456 . . 43 LYS HG2 . 18956 1
491 . 1 1 43 43 LYS HG3 H 1 1.680 0.004 . 2 . 457 . . 43 LYS HG3 . 18956 1
492 . 1 1 43 43 LYS HD2 H 1 1.675 0.005 . 2 . 452 . . 43 LYS HD2 . 18956 1
493 . 1 1 43 43 LYS HD3 H 1 1.723 0.003 . 2 . 453 . . 43 LYS HD3 . 18956 1
494 . 1 1 43 43 LYS HE2 H 1 3.025 0.008 . 1 . 454 . . 43 LYS HE2 . 18956 1
495 . 1 1 43 43 LYS HE3 H 1 3.025 0.008 . 1 . 455 . . 43 LYS HE3 . 18956 1
496 . 1 1 43 43 LYS C C 13 177.884 0.005 . 1 . 442 . . 43 LYS C . 18956 1
497 . 1 1 43 43 LYS CA C 13 57.753 0.048 . 1 . 443 . . 43 LYS CA . 18956 1
498 . 1 1 43 43 LYS CB C 13 32.508 0.039 . 1 . 444 . . 43 LYS CB . 18956 1
499 . 1 1 43 43 LYS CG C 13 25.923 0.04 . 1 . 447 . . 43 LYS CG . 18956 1
500 . 1 1 43 43 LYS CD C 13 29.132 0.026 . 1 . 445 . . 43 LYS CD . 18956 1
501 . 1 1 43 43 LYS CE C 13 41.831 0.022 . 1 . 446 . . 43 LYS CE . 18956 1
502 . 1 1 43 43 LYS N N 15 120.197 0.028 . 1 . 458 . . 43 LYS N . 18956 1
503 . 1 1 44 44 ASN H H 1 8.285 0.003 . 1 . 462 . . 44 ASN H . 18956 1
504 . 1 1 44 44 ASN HA H 1 4.529 0.005 . 1 . 463 . . 44 ASN HA . 18956 1
505 . 1 1 44 44 ASN HB2 H 1 2.906 0.004 . 2 . 464 . . 44 ASN HB2 . 18956 1
506 . 1 1 44 44 ASN HB3 H 1 3.549 0.003 . 2 . 465 . . 44 ASN HB3 . 18956 1
507 . 1 1 44 44 ASN HD21 H 1 7.665 0.002 . 1 . 466 . . 44 ASN HD21 . 18956 1
508 . 1 1 44 44 ASN HD22 H 1 7.393 0.003 . 1 . 467 . . 44 ASN HD22 . 18956 1
509 . 1 1 44 44 ASN C C 13 176.167 0.002 . 1 . 459 . . 44 ASN C . 18956 1
510 . 1 1 44 44 ASN CA C 13 55.200 0.021 . 1 . 460 . . 44 ASN CA . 18956 1
511 . 1 1 44 44 ASN CB C 13 36.040 0.015 . 1 . 461 . . 44 ASN CB . 18956 1
512 . 1 1 44 44 ASN N N 15 119.853 0.043 . 1 . 468 . . 44 ASN N . 18956 1
513 . 1 1 44 44 ASN ND2 N 15 109.433 . . 1 . 469 . . 44 ASN ND2 . 18956 1
514 . 1 1 45 45 LEU H H 1 8.570 0.004 . 1 . 476 . . 45 LEU H . 18956 1
515 . 1 1 45 45 LEU HA H 1 4.254 0.005 . 1 . 477 . . 45 LEU HA . 18956 1
516 . 1 1 45 45 LEU HB2 H 1 1.647 0.004 . 2 . 478 . . 45 LEU HB2 . 18956 1
517 . 1 1 45 45 LEU HB3 H 1 1.925 0.004 . 2 . 479 . . 45 LEU HB3 . 18956 1
518 . 1 1 45 45 LEU HG H 1 1.456 0.322 . 1 . 482 . . 45 LEU HG . 18956 1
519 . 1 1 45 45 LEU HD11 H 1 0.712 0.002 . 2 . 480 . . 45 LEU HD11 . 18956 1
520 . 1 1 45 45 LEU HD12 H 1 0.712 0.002 . 2 . 480 . . 45 LEU HD12 . 18956 1
521 . 1 1 45 45 LEU HD13 H 1 0.712 0.002 . 2 . 480 . . 45 LEU HD13 . 18956 1
522 . 1 1 45 45 LEU HD21 H 1 0.761 0.088 . 2 . 481 . . 45 LEU HD21 . 18956 1
523 . 1 1 45 45 LEU HD22 H 1 0.761 0.088 . 2 . 481 . . 45 LEU HD22 . 18956 1
524 . 1 1 45 45 LEU HD23 H 1 0.761 0.088 . 2 . 481 . . 45 LEU HD23 . 18956 1
525 . 1 1 45 45 LEU C C 13 177.243 0.001 . 1 . 470 . . 45 LEU C . 18956 1
526 . 1 1 45 45 LEU CA C 13 57.316 0.017 . 1 . 471 . . 45 LEU CA . 18956 1
527 . 1 1 45 45 LEU CB C 13 40.521 0.052 . 1 . 472 . . 45 LEU CB . 18956 1
528 . 1 1 45 45 LEU CG C 13 26.468 0.037 . 1 . 475 . . 45 LEU CG . 18956 1
529 . 1 1 45 45 LEU CD1 C 13 22.539 0.035 . 1 . 473 . . 45 LEU CD1 . 18956 1
530 . 1 1 45 45 LEU CD2 C 13 22.539 0.035 . 1 . 474 . . 45 LEU CD2 . 18956 1
531 . 1 1 45 45 LEU N N 15 121.031 0.033 . 1 . 483 . . 45 LEU N . 18956 1
532 . 1 1 46 46 THR H H 1 8.142 0.005 . 1 . 488 . . 46 THR H . 18956 1
533 . 1 1 46 46 THR HA H 1 4.455 0.003 . 1 . 489 . . 46 THR HA . 18956 1
534 . 1 1 46 46 THR HB H 1 4.485 0.002 . 1 . 490 . . 46 THR HB . 18956 1
535 . 1 1 46 46 THR HG21 H 1 1.183 0.005 . 1 . 491 . . 46 THR HG21 . 18956 1
536 . 1 1 46 46 THR HG22 H 1 1.183 0.005 . 1 . 491 . . 46 THR HG22 . 18956 1
537 . 1 1 46 46 THR HG23 H 1 1.183 0.005 . 1 . 491 . . 46 THR HG23 . 18956 1
538 . 1 1 46 46 THR C C 13 174.002 0.005 . 1 . 484 . . 46 THR C . 18956 1
539 . 1 1 46 46 THR CA C 13 60.506 0.023 . 1 . 485 . . 46 THR CA . 18956 1
540 . 1 1 46 46 THR CB C 13 68.755 0.047 . 1 . 486 . . 46 THR CB . 18956 1
541 . 1 1 46 46 THR CG2 C 13 21.584 0.043 . 1 . 487 . . 46 THR CG2 . 18956 1
542 . 1 1 46 46 THR N N 15 107.705 0.033 . 1 . 492 . . 46 THR N . 18956 1
543 . 1 1 47 47 CYS H H 1 7.592 0.004 . 1 . 496 . . 47 CYS H . 18956 1
544 . 1 1 47 47 CYS HA H 1 3.601 0.004 . 1 . 497 . . 47 CYS HA . 18956 1
545 . 1 1 47 47 CYS HB2 H 1 3.114 0.004 . 2 . 498 . . 47 CYS HB2 . 18956 1
546 . 1 1 47 47 CYS HB3 H 1 3.596 0.005 . 2 . 499 . . 47 CYS HB3 . 18956 1
547 . 1 1 47 47 CYS C C 13 174.087 . . 1 . 493 . . 47 CYS C . 18956 1
548 . 1 1 47 47 CYS CA C 13 63.078 0.05 . 1 . 494 . . 47 CYS CA . 18956 1
549 . 1 1 47 47 CYS CB C 13 29.696 0.028 . 1 . 495 . . 47 CYS CB . 18956 1
550 . 1 1 47 47 CYS N N 15 124.991 0.028 . 1 . 500 . . 47 CYS N . 18956 1
551 . 1 1 48 48 ASP H H 1 8.326 0.004 . 1 . 504 . . 48 ASP H . 18956 1
552 . 1 1 48 48 ASP HA H 1 4.650 0.01 . 1 . 505 . . 48 ASP HA . 18956 1
553 . 1 1 48 48 ASP HB2 H 1 2.522 0.004 . 2 . 506 . . 48 ASP HB2 . 18956 1
554 . 1 1 48 48 ASP HB3 H 1 3.018 0.004 . 2 . 507 . . 48 ASP HB3 . 18956 1
555 . 1 1 48 48 ASP C C 13 175.116 . . 1 . 501 . . 48 ASP C . 18956 1
556 . 1 1 48 48 ASP CA C 13 52.238 0.023 . 1 . 502 . . 48 ASP CA . 18956 1
557 . 1 1 48 48 ASP CB C 13 40.278 0.025 . 1 . 503 . . 48 ASP CB . 18956 1
558 . 1 1 48 48 ASP N N 15 127.831 0.032 . 1 . 508 . . 48 ASP N . 18956 1
559 . 1 1 49 49 ASN H H 1 7.810 0.009 . 1 . 512 . . 49 ASN H . 18956 1
560 . 1 1 49 49 ASN HA H 1 5.215 0.006 . 1 . 513 . . 49 ASN HA . 18956 1
561 . 1 1 49 49 ASN HB2 H 1 2.964 0.054 . 2 . 514 . . 49 ASN HB2 . 18956 1
562 . 1 1 49 49 ASN HB3 H 1 3.068 0.051 . 2 . 515 . . 49 ASN HB3 . 18956 1
563 . 1 1 49 49 ASN HD21 H 1 7.863 0.035 . 1 . 516 . . 49 ASN HD21 . 18956 1
564 . 1 1 49 49 ASN HD22 H 1 7.199 0.048 . 1 . 517 . . 49 ASN HD22 . 18956 1
565 . 1 1 49 49 ASN C C 13 174.062 . . 1 . 509 . . 49 ASN C . 18956 1
566 . 1 1 49 49 ASN CA C 13 49.287 0.057 . 1 . 510 . . 49 ASN CA . 18956 1
567 . 1 1 49 49 ASN CB C 13 40.036 0.032 . 1 . 511 . . 49 ASN CB . 18956 1
568 . 1 1 49 49 ASN N N 15 120.319 0.055 . 1 . 518 . . 49 ASN N . 18956 1
569 . 1 1 49 49 ASN ND2 N 15 110.542 0.002 . 1 . 519 . . 49 ASN ND2 . 18956 1
570 . 1 1 50 50 PRO HA H 1 4.054 0.004 . 1 . 525 . . 50 PRO HA . 18956 1
571 . 1 1 50 50 PRO HB2 H 1 2.155 0.005 . 2 . 526 . . 50 PRO HB2 . 18956 1
572 . 1 1 50 50 PRO HB3 H 1 2.275 0.003 . 2 . 527 . . 50 PRO HB3 . 18956 1
573 . 1 1 50 50 PRO HG2 H 1 2.100 0.004 . 1 . 530 . . 50 PRO HG2 . 18956 1
574 . 1 1 50 50 PRO HG3 H 1 2.100 0.004 . 1 . 531 . . 50 PRO HG3 . 18956 1
575 . 1 1 50 50 PRO HD2 H 1 4.120 0.002 . 1 . 528 . . 50 PRO HD2 . 18956 1
576 . 1 1 50 50 PRO HD3 H 1 4.120 0.002 . 1 . 529 . . 50 PRO HD3 . 18956 1
577 . 1 1 50 50 PRO C C 13 176.166 . . 1 . 520 . . 50 PRO C . 18956 1
578 . 1 1 50 50 PRO CA C 13 64.120 0.045 . 1 . 521 . . 50 PRO CA . 18956 1
579 . 1 1 50 50 PRO CB C 13 32.051 0.004 . 1 . 522 . . 50 PRO CB . 18956 1
580 . 1 1 50 50 PRO CG C 13 27.147 0.032 . 1 . 524 . . 50 PRO CG . 18956 1
581 . 1 1 50 50 PRO CD C 13 51.115 0.027 . 1 . 523 . . 50 PRO CD . 18956 1
582 . 1 1 51 51 GLU H H 1 7.601 0.003 . 1 . 536 . . 51 GLU H . 18956 1
583 . 1 1 51 51 GLU HA H 1 4.402 0.006 . 1 . 537 . . 51 GLU HA . 18956 1
584 . 1 1 51 51 GLU HB2 H 1 1.899 0.004 . 2 . 538 . . 51 GLU HB2 . 18956 1
585 . 1 1 51 51 GLU HB3 H 1 2.327 0.003 . 2 . 539 . . 51 GLU HB3 . 18956 1
586 . 1 1 51 51 GLU HG2 H 1 2.172 0.006 . 2 . 540 . . 51 GLU HG2 . 18956 1
587 . 1 1 51 51 GLU HG3 H 1 2.301 0.008 . 2 . 541 . . 51 GLU HG3 . 18956 1
588 . 1 1 51 51 GLU C C 13 175.617 0.006 . 1 . 532 . . 51 GLU C . 18956 1
589 . 1 1 51 51 GLU CA C 13 55.021 0.023 . 1 . 533 . . 51 GLU CA . 18956 1
590 . 1 1 51 51 GLU CB C 13 29.297 0.018 . 1 . 534 . . 51 GLU CB . 18956 1
591 . 1 1 51 51 GLU CG C 13 36.522 0.006 . 1 . 535 . . 51 GLU CG . 18956 1
592 . 1 1 51 51 GLU N N 15 114.997 0.036 . 1 . 542 . . 51 GLU N . 18956 1
593 . 1 1 52 52 CYS H H 1 7.665 0.003 . 1 . 546 . . 52 CYS H . 18956 1
594 . 1 1 52 52 CYS HA H 1 3.994 0.004 . 1 . 547 . . 52 CYS HA . 18956 1
595 . 1 1 52 52 CYS HB2 H 1 3.020 0.004 . 2 . 548 . . 52 CYS HB2 . 18956 1
596 . 1 1 52 52 CYS HB3 H 1 3.102 0.006 . 2 . 549 . . 52 CYS HB3 . 18956 1
597 . 1 1 52 52 CYS C C 13 177.599 0.003 . 1 . 543 . . 52 CYS C . 18956 1
598 . 1 1 52 52 CYS CA C 13 62.310 0.046 . 1 . 544 . . 52 CYS CA . 18956 1
599 . 1 1 52 52 CYS CB C 13 30.143 0.025 . 1 . 545 . . 52 CYS CB . 18956 1
600 . 1 1 52 52 CYS N N 15 123.732 0.03 . 1 . 550 . . 52 CYS N . 18956 1
601 . 1 1 53 53 ARG H H 1 9.276 0.004 . 1 . 556 . . 53 ARG H . 18956 1
602 . 1 1 53 53 ARG HA H 1 4.980 0.003 . 1 . 557 . . 53 ARG HA . 18956 1
603 . 1 1 53 53 ARG HB2 H 1 1.868 0.008 . 2 . 558 . . 53 ARG HB2 . 18956 1
604 . 1 1 53 53 ARG HB3 H 1 2.260 0.005 . 2 . 559 . . 53 ARG HB3 . 18956 1
605 . 1 1 53 53 ARG HG2 H 1 1.845 0.008 . 2 . 562 . . 53 ARG HG2 . 18956 1
606 . 1 1 53 53 ARG HG3 H 1 1.939 0.003 . 2 . 563 . . 53 ARG HG3 . 18956 1
607 . 1 1 53 53 ARG HD2 H 1 3.271 0.004 . 1 . 560 . . 53 ARG HD2 . 18956 1
608 . 1 1 53 53 ARG HD3 H 1 3.271 0.004 . 1 . 561 . . 53 ARG HD3 . 18956 1
609 . 1 1 53 53 ARG C C 13 176.142 0.001 . 1 . 551 . . 53 ARG C . 18956 1
610 . 1 1 53 53 ARG CA C 13 55.414 0.042 . 1 . 552 . . 53 ARG CA . 18956 1
611 . 1 1 53 53 ARG CB C 13 31.980 0.043 . 1 . 553 . . 53 ARG CB . 18956 1
612 . 1 1 53 53 ARG CG C 13 27.126 0.026 . 1 . 555 . . 53 ARG CG . 18956 1
613 . 1 1 53 53 ARG CD C 13 43.791 0.029 . 1 . 554 . . 53 ARG CD . 18956 1
614 . 1 1 53 53 ARG N N 15 130.518 0.042 . 1 . 564 . . 53 ARG N . 18956 1
615 . 1 1 54 54 LYS H H 1 8.631 0.006 . 1 . 571 . . 54 LYS H . 18956 1
616 . 1 1 54 54 LYS HA H 1 5.503 0.002 . 1 . 572 . . 54 LYS HA . 18956 1
617 . 1 1 54 54 LYS HB2 H 1 1.479 0.006 . 2 . 573 . . 54 LYS HB2 . 18956 1
618 . 1 1 54 54 LYS HB3 H 1 2.147 0.004 . 2 . 574 . . 54 LYS HB3 . 18956 1
619 . 1 1 54 54 LYS HG2 H 1 1.362 0.004 . 2 . 579 . . 54 LYS HG2 . 18956 1
620 . 1 1 54 54 LYS HG3 H 1 1.756 0.004 . 2 . 580 . . 54 LYS HG3 . 18956 1
621 . 1 1 54 54 LYS HD2 H 1 1.465 0.004 . 2 . 575 . . 54 LYS HD2 . 18956 1
622 . 1 1 54 54 LYS HD3 H 1 1.685 0.005 . 2 . 576 . . 54 LYS HD3 . 18956 1
623 . 1 1 54 54 LYS HE2 H 1 3.133 0.005 . 1 . 577 . . 54 LYS HE2 . 18956 1
624 . 1 1 54 54 LYS HE3 H 1 3.133 0.005 . 1 . 578 . . 54 LYS HE3 . 18956 1
625 . 1 1 54 54 LYS C C 13 174.527 0.007 . 1 . 565 . . 54 LYS C . 18956 1
626 . 1 1 54 54 LYS CA C 13 56.355 0.046 . 1 . 566 . . 54 LYS CA . 18956 1
627 . 1 1 54 54 LYS CB C 13 35.450 0.063 . 1 . 567 . . 54 LYS CB . 18956 1
628 . 1 1 54 54 LYS CG C 13 27.123 0.038 . 1 . 570 . . 54 LYS CG . 18956 1
629 . 1 1 54 54 LYS CD C 13 30.816 0.043 . 1 . 568 . . 54 LYS CD . 18956 1
630 . 1 1 54 54 LYS CE C 13 42.335 0.016 . 1 . 569 . . 54 LYS CE . 18956 1
631 . 1 1 54 54 LYS N N 15 122.612 0.031 . 1 . 581 . . 54 LYS N . 18956 1
632 . 1 1 55 55 ALA H H 1 8.274 0.004 . 1 . 585 . . 55 ALA H . 18956 1
633 . 1 1 55 55 ALA HA H 1 4.658 0.004 . 1 . 586 . . 55 ALA HA . 18956 1
634 . 1 1 55 55 ALA HB1 H 1 0.668 0.003 . 1 . 587 . . 55 ALA HB1 . 18956 1
635 . 1 1 55 55 ALA HB2 H 1 0.668 0.003 . 1 . 587 . . 55 ALA HB2 . 18956 1
636 . 1 1 55 55 ALA HB3 H 1 0.668 0.003 . 1 . 587 . . 55 ALA HB3 . 18956 1
637 . 1 1 55 55 ALA C C 13 176.546 0.005 . 1 . 582 . . 55 ALA C . 18956 1
638 . 1 1 55 55 ALA CA C 13 51.477 0.047 . 1 . 583 . . 55 ALA CA . 18956 1
639 . 1 1 55 55 ALA CB C 13 21.060 0.054 . 1 . 584 . . 55 ALA CB . 18956 1
640 . 1 1 55 55 ALA N N 15 118.422 0.05 . 1 . 588 . . 55 ALA N . 18956 1
641 . 1 1 56 56 HIS H H 1 9.348 0.003 . 1 . 594 . . 56 HIS H . 18956 1
642 . 1 1 56 56 HIS HA H 1 5.323 0.004 . 1 . 595 . . 56 HIS HA . 18956 1
643 . 1 1 56 56 HIS HB2 H 1 2.946 0.002 . 2 . 596 . . 56 HIS HB2 . 18956 1
644 . 1 1 56 56 HIS HB3 H 1 3.521 0.003 . 2 . 597 . . 56 HIS HB3 . 18956 1
645 . 1 1 56 56 HIS HD1 H 1 10.907 0.002 . 1 . 598 . . 56 HIS HD1 . 18956 1
646 . 1 1 56 56 HIS HD2 H 1 8.004 0.003 . 1 . 599 . . 56 HIS HD2 . 18956 1
647 . 1 1 56 56 HIS HE1 H 1 8.445 0.002 . 1 . 600 . . 56 HIS HE1 . 18956 1
648 . 1 1 56 56 HIS C C 13 176.428 0.036 . 1 . 589 . . 56 HIS C . 18956 1
649 . 1 1 56 56 HIS CA C 13 55.221 0.017 . 1 . 590 . . 56 HIS CA . 18956 1
650 . 1 1 56 56 HIS CB C 13 31.614 0.032 . 1 . 591 . . 56 HIS CB . 18956 1
651 . 1 1 56 56 HIS CD2 C 13 127.411 . . 1 . 592 . . 56 HIS CD2 . 18956 1
652 . 1 1 56 56 HIS CE1 C 13 142.744 0.01 . 1 . 593 . . 56 HIS CE1 . 18956 1
653 . 1 1 56 56 HIS N N 15 118.709 0.033 . 1 . 601 . . 56 HIS N . 18956 1
654 . 1 1 56 56 HIS ND1 N 15 170.053 0.095 . 1 . 602 . . 56 HIS ND1 . 18956 1
655 . 1 1 56 56 HIS NE2 N 15 221.123 . . 1 . 603 . . 56 HIS NE2 . 18956 1
656 . 1 1 57 57 SER H H 1 10.390 0.003 . 1 . 607 . . 57 SER H . 18956 1
657 . 1 1 57 57 SER HA H 1 5.483 0.004 . 1 . 608 . . 57 SER HA . 18956 1
658 . 1 1 57 57 SER HB2 H 1 3.630 0.004 . 2 . 609 . . 57 SER HB2 . 18956 1
659 . 1 1 57 57 SER HB3 H 1 4.366 0.007 . 2 . 610 . . 57 SER HB3 . 18956 1
660 . 1 1 57 57 SER C C 13 169.536 0.002 . 1 . 604 . . 57 SER C . 18956 1
661 . 1 1 57 57 SER CA C 13 59.621 0.041 . 1 . 605 . . 57 SER CA . 18956 1
662 . 1 1 57 57 SER CB C 13 62.776 0.043 . 1 . 606 . . 57 SER CB . 18956 1
663 . 1 1 57 57 SER N N 15 122.280 0.071 . 1 . 611 . . 57 SER N . 18956 1
664 . 1 1 58 58 SER H H 1 8.344 0.008 . 1 . 615 . . 58 SER H . 18956 1
665 . 1 1 58 58 SER HA H 1 2.826 0.006 . 1 . 616 . . 58 SER HA . 18956 1
666 . 1 1 58 58 SER HB2 H 1 3.453 0.004 . 2 . 617 . . 58 SER HB2 . 18956 1
667 . 1 1 58 58 SER HB3 H 1 3.580 0.006 . 2 . 618 . . 58 SER HB3 . 18956 1
668 . 1 1 58 58 SER HG H 1 4.741 0.002 . 1 . 619 . . 58 SER HG . 18956 1
669 . 1 1 58 58 SER C C 13 176.029 . . 1 . 612 . . 58 SER C . 18956 1
670 . 1 1 58 58 SER CA C 13 58.114 0.041 . 1 . 613 . . 58 SER CA . 18956 1
671 . 1 1 58 58 SER CB C 13 64.212 0.04 . 1 . 614 . . 58 SER CB . 18956 1
672 . 1 1 58 58 SER N N 15 113.757 0.073 . 1 . 620 . . 58 SER N . 18956 1
673 . 1 1 59 59 LEU H H 1 8.683 0.004 . 1 . 627 . . 59 LEU H . 18956 1
674 . 1 1 59 59 LEU HA H 1 4.017 0.004 . 1 . 628 . . 59 LEU HA . 18956 1
675 . 1 1 59 59 LEU HB2 H 1 1.734 0.008 . 2 . 629 . . 59 LEU HB2 . 18956 1
676 . 1 1 59 59 LEU HB3 H 1 1.816 0.004 . 2 . 630 . . 59 LEU HB3 . 18956 1
677 . 1 1 59 59 LEU HG H 1 1.751 0.007 . 1 . 633 . . 59 LEU HG . 18956 1
678 . 1 1 59 59 LEU HD11 H 1 0.970 0.005 . 2 . 631 . . 59 LEU HD11 . 18956 1
679 . 1 1 59 59 LEU HD12 H 1 0.970 0.005 . 2 . 631 . . 59 LEU HD12 . 18956 1
680 . 1 1 59 59 LEU HD13 H 1 0.970 0.005 . 2 . 631 . . 59 LEU HD13 . 18956 1
681 . 1 1 59 59 LEU HD21 H 1 1.016 0.004 . 2 . 632 . . 59 LEU HD21 . 18956 1
682 . 1 1 59 59 LEU HD22 H 1 1.016 0.004 . 2 . 632 . . 59 LEU HD22 . 18956 1
683 . 1 1 59 59 LEU HD23 H 1 1.016 0.004 . 2 . 632 . . 59 LEU HD23 . 18956 1
684 . 1 1 59 59 LEU C C 13 178.423 0.003 . 1 . 621 . . 59 LEU C . 18956 1
685 . 1 1 59 59 LEU CA C 13 56.689 0.037 . 1 . 622 . . 59 LEU CA . 18956 1
686 . 1 1 59 59 LEU CB C 13 41.153 0.04 . 1 . 623 . . 59 LEU CB . 18956 1
687 . 1 1 59 59 LEU CG C 13 27.175 0.01 . 1 . 626 . . 59 LEU CG . 18956 1
688 . 1 1 59 59 LEU CD1 C 13 24.579 0.006 . 2 . 624 . . 59 LEU CD1 . 18956 1
689 . 1 1 59 59 LEU CD2 C 13 24.588 . . 2 . 625 . . 59 LEU CD2 . 18956 1
690 . 1 1 59 59 LEU N N 15 128.488 0.043 . 1 . 634 . . 59 LEU N . 18956 1
691 . 1 1 60 60 SER H H 1 7.498 0.003 . 1 . 638 . . 60 SER H . 18956 1
692 . 1 1 60 60 SER HA H 1 4.254 0.003 . 1 . 639 . . 60 SER HA . 18956 1
693 . 1 1 60 60 SER HB2 H 1 3.704 0.004 . 2 . 640 . . 60 SER HB2 . 18956 1
694 . 1 1 60 60 SER HB3 H 1 3.985 0.005 . 2 . 641 . . 60 SER HB3 . 18956 1
695 . 1 1 60 60 SER HG H 1 4.442 . . 1 . 642 . . 60 SER HG . 18956 1
696 . 1 1 60 60 SER C C 13 175.790 0.002 . 1 . 635 . . 60 SER C . 18956 1
697 . 1 1 60 60 SER CA C 13 60.439 0.03 . 1 . 636 . . 60 SER CA . 18956 1
698 . 1 1 60 60 SER CB C 13 62.924 0.052 . 1 . 637 . . 60 SER CB . 18956 1
699 . 1 1 60 60 SER N N 15 113.146 0.032 . 1 . 643 . . 60 SER N . 18956 1
700 . 1 1 61 61 LYS H H 1 7.887 0.003 . 1 . 650 . . 61 LYS H . 18956 1
701 . 1 1 61 61 LYS HA H 1 4.108 0.003 . 1 . 651 . . 61 LYS HA . 18956 1
702 . 1 1 61 61 LYS HB2 H 1 1.916 0.004 . 1 . 652 . . 61 LYS HB2 . 18956 1
703 . 1 1 61 61 LYS HB3 H 1 1.916 0.004 . 1 . 653 . . 61 LYS HB3 . 18956 1
704 . 1 1 61 61 LYS HG2 H 1 1.480 0.003 . 2 . 658 . . 61 LYS HG2 . 18956 1
705 . 1 1 61 61 LYS HG3 H 1 1.620 0.005 . 2 . 659 . . 61 LYS HG3 . 18956 1
706 . 1 1 61 61 LYS HD2 H 1 1.651 0.004 . 2 . 654 . . 61 LYS HD2 . 18956 1
707 . 1 1 61 61 LYS HD3 H 1 1.814 0.005 . 2 . 655 . . 61 LYS HD3 . 18956 1
708 . 1 1 61 61 LYS HE2 H 1 2.990 0.002 . 1 . 656 . . 61 LYS HE2 . 18956 1
709 . 1 1 61 61 LYS HE3 H 1 2.990 0.002 . 1 . 657 . . 61 LYS HE3 . 18956 1
710 . 1 1 61 61 LYS C C 13 177.541 0.004 . 1 . 644 . . 61 LYS C . 18956 1
711 . 1 1 61 61 LYS CA C 13 58.300 0.016 . 1 . 645 . . 61 LYS CA . 18956 1
712 . 1 1 61 61 LYS CB C 13 33.354 0.03 . 1 . 646 . . 61 LYS CB . 18956 1
713 . 1 1 61 61 LYS CG C 13 25.719 0.012 . 1 . 649 . . 61 LYS CG . 18956 1
714 . 1 1 61 61 LYS CD C 13 29.130 0.023 . 1 . 647 . . 61 LYS CD . 18956 1
715 . 1 1 61 61 LYS CE C 13 41.681 0.024 . 1 . 648 . . 61 LYS CE . 18956 1
716 . 1 1 61 61 LYS N N 15 122.022 0.038 . 1 . 660 . . 61 LYS N . 18956 1
717 . 1 1 62 62 ILE H H 1 7.766 0.003 . 1 . 667 . . 62 ILE H . 18956 1
718 . 1 1 62 62 ILE HA H 1 4.266 0.003 . 1 . 668 . . 62 ILE HA . 18956 1
719 . 1 1 62 62 ILE HB H 1 2.030 0.004 . 1 . 669 . . 62 ILE HB . 18956 1
720 . 1 1 62 62 ILE HG12 H 1 1.214 0.005 . 2 . 671 . . 62 ILE HG12 . 18956 1
721 . 1 1 62 62 ILE HG13 H 1 1.554 0.004 . 2 . 672 . . 62 ILE HG13 . 18956 1
722 . 1 1 62 62 ILE HG21 H 1 0.934 0.003 . 1 . 673 . . 62 ILE HG21 . 18956 1
723 . 1 1 62 62 ILE HG22 H 1 0.934 0.003 . 1 . 673 . . 62 ILE HG22 . 18956 1
724 . 1 1 62 62 ILE HG23 H 1 0.934 0.003 . 1 . 673 . . 62 ILE HG23 . 18956 1
725 . 1 1 62 62 ILE HD11 H 1 0.968 0.004 . 1 . 670 . . 62 ILE HD11 . 18956 1
726 . 1 1 62 62 ILE HD12 H 1 0.968 0.004 . 1 . 670 . . 62 ILE HD12 . 18956 1
727 . 1 1 62 62 ILE HD13 H 1 0.968 0.004 . 1 . 670 . . 62 ILE HD13 . 18956 1
728 . 1 1 62 62 ILE C C 13 175.952 0.005 . 1 . 661 . . 62 ILE C . 18956 1
729 . 1 1 62 62 ILE CA C 13 61.850 0.013 . 1 . 662 . . 62 ILE CA . 18956 1
730 . 1 1 62 62 ILE CB C 13 39.380 0.033 . 1 . 663 . . 62 ILE CB . 18956 1
731 . 1 1 62 62 ILE CG1 C 13 27.949 0.049 . 1 . 665 . . 62 ILE CG1 . 18956 1
732 . 1 1 62 62 ILE CG2 C 13 18.090 0.033 . 1 . 666 . . 62 ILE CG2 . 18956 1
733 . 1 1 62 62 ILE CD1 C 13 13.869 0.023 . 1 . 664 . . 62 ILE CD1 . 18956 1
734 . 1 1 62 62 ILE N N 15 114.534 0.036 . 1 . 674 . . 62 ILE N . 18956 1
735 . 1 1 63 63 LYS H H 1 7.818 0.002 . 1 . 681 . . 63 LYS H . 18956 1
736 . 1 1 63 63 LYS HA H 1 4.371 0.005 . 1 . 682 . . 63 LYS HA . 18956 1
737 . 1 1 63 63 LYS HB2 H 1 1.702 0.004 . 2 . 683 . . 63 LYS HB2 . 18956 1
738 . 1 1 63 63 LYS HB3 H 1 1.814 0.004 . 2 . 684 . . 63 LYS HB3 . 18956 1
739 . 1 1 63 63 LYS HG2 H 1 1.366 0.002 . 1 . 689 . . 63 LYS HG2 . 18956 1
740 . 1 1 63 63 LYS HD2 H 1 1.636 0.005 . 1 . 685 . . 63 LYS HD2 . 18956 1
741 . 1 1 63 63 LYS HD3 H 1 1.636 0.005 . 1 . 686 . . 63 LYS HD3 . 18956 1
742 . 1 1 63 63 LYS HE2 H 1 2.928 0.007 . 1 . 687 . . 63 LYS HE2 . 18956 1
743 . 1 1 63 63 LYS HE3 H 1 2.928 0.007 . 1 . 688 . . 63 LYS HE3 . 18956 1
744 . 1 1 63 63 LYS C C 13 175.495 0.002 . 1 . 675 . . 63 LYS C . 18956 1
745 . 1 1 63 63 LYS CA C 13 55.996 0.036 . 1 . 676 . . 63 LYS CA . 18956 1
746 . 1 1 63 63 LYS CB C 13 33.630 0.026 . 1 . 677 . . 63 LYS CB . 18956 1
747 . 1 1 63 63 LYS CG C 13 24.617 0.059 . 1 . 680 . . 63 LYS CG . 18956 1
748 . 1 1 63 63 LYS CD C 13 29.124 0.047 . 1 . 678 . . 63 LYS CD . 18956 1
749 . 1 1 63 63 LYS CE C 13 41.891 0.025 . 1 . 679 . . 63 LYS CE . 18956 1
750 . 1 1 63 63 LYS N N 15 122.021 0.047 . 1 . 690 . . 63 LYS N . 18956 1
751 . 1 1 64 64 GLU H H 1 8.055 0.003 . 1 . 695 . . 64 GLU H . 18956 1
752 . 1 1 64 64 GLU HA H 1 4.249 0.007 . 1 . 696 . . 64 GLU HA . 18956 1
753 . 1 1 64 64 GLU HB2 H 1 1.934 0.006 . 2 . 697 . . 64 GLU HB2 . 18956 1
754 . 1 1 64 64 GLU HB3 H 1 1.990 0.007 . 2 . 698 . . 64 GLU HB3 . 18956 1
755 . 1 1 64 64 GLU HG2 H 1 2.147 0.004 . 2 . 699 . . 64 GLU HG2 . 18956 1
756 . 1 1 64 64 GLU HG3 H 1 2.241 0.007 . 2 . 700 . . 64 GLU HG3 . 18956 1
757 . 1 1 64 64 GLU C C 13 176.191 0.001 . 1 . 691 . . 64 GLU C . 18956 1
758 . 1 1 64 64 GLU CA C 13 56.471 0.027 . 1 . 692 . . 64 GLU CA . 18956 1
759 . 1 1 64 64 GLU CB C 13 30.156 0.02 . 1 . 693 . . 64 GLU CB . 18956 1
760 . 1 1 64 64 GLU CG C 13 36.283 0.003 . 1 . 694 . . 64 GLU CG . 18956 1
761 . 1 1 64 64 GLU N N 15 120.969 0.031 . 1 . 701 . . 64 GLU N . 18956 1
762 . 1 1 65 65 VAL H H 1 8.197 0.003 . 1 . 707 . . 65 VAL H . 18956 1
763 . 1 1 65 65 VAL HA H 1 4.078 0.006 . 1 . 708 . . 65 VAL HA . 18956 1
764 . 1 1 65 65 VAL HB H 1 1.986 0.004 . 1 . 709 . . 65 VAL HB . 18956 1
765 . 1 1 65 65 VAL HG11 H 1 0.864 0.006 . 2 . 710 . . 65 VAL HG11 . 18956 1
766 . 1 1 65 65 VAL HG12 H 1 0.864 0.006 . 2 . 710 . . 65 VAL HG12 . 18956 1
767 . 1 1 65 65 VAL HG13 H 1 0.864 0.006 . 2 . 710 . . 65 VAL HG13 . 18956 1
768 . 1 1 65 65 VAL HG21 H 1 0.887 0.005 . 2 . 711 . . 65 VAL HG21 . 18956 1
769 . 1 1 65 65 VAL HG22 H 1 0.887 0.005 . 2 . 711 . . 65 VAL HG22 . 18956 1
770 . 1 1 65 65 VAL HG23 H 1 0.887 0.005 . 2 . 711 . . 65 VAL HG23 . 18956 1
771 . 1 1 65 65 VAL C C 13 175.724 . . 1 . 702 . . 65 VAL C . 18956 1
772 . 1 1 65 65 VAL CA C 13 62.099 0.027 . 1 . 703 . . 65 VAL CA . 18956 1
773 . 1 1 65 65 VAL CB C 13 32.729 0.059 . 1 . 704 . . 65 VAL CB . 18956 1
774 . 1 1 65 65 VAL CG1 C 13 20.486 0.003 . 2 . 705 . . 65 VAL CG1 . 18956 1
775 . 1 1 65 65 VAL CG2 C 13 21.106 0.009 . 2 . 706 . . 65 VAL CG2 . 18956 1
776 . 1 1 65 65 VAL N N 15 123.256 0.034 . 1 . 712 . . 65 VAL N . 18956 1
777 . 1 1 66 66 LYS H H 1 8.366 0.004 . 1 . 719 . . 66 LYS H . 18956 1
778 . 1 1 66 66 LYS HA H 1 4.610 0.007 . 1 . 720 . . 66 LYS HA . 18956 1
779 . 1 1 66 66 LYS HB2 H 1 1.706 0.005 . 2 . 721 . . 66 LYS HB2 . 18956 1
780 . 1 1 66 66 LYS HB3 H 1 1.799 0.004 . 2 . 722 . . 66 LYS HB3 . 18956 1
781 . 1 1 66 66 LYS HG2 H 1 1.418 0.018 . 2 . 727 . . 66 LYS HG2 . 18956 1
782 . 1 1 66 66 LYS HG3 H 1 1.461 0.004 . 2 . 728 . . 66 LYS HG3 . 18956 1
783 . 1 1 66 66 LYS HD2 H 1 1.669 0.006 . 1 . 723 . . 66 LYS HD2 . 18956 1
784 . 1 1 66 66 LYS HD3 H 1 1.669 0.006 . 1 . 724 . . 66 LYS HD3 . 18956 1
785 . 1 1 66 66 LYS HE2 H 1 2.974 0.004 . 1 . 725 . . 66 LYS HE2 . 18956 1
786 . 1 1 66 66 LYS HE3 H 1 2.974 0.004 . 1 . 726 . . 66 LYS HE3 . 18956 1
787 . 1 1 66 66 LYS C C 13 174.122 . . 1 . 713 . . 66 LYS C . 18956 1
788 . 1 1 66 66 LYS CA C 13 53.993 0.03 . 1 . 714 . . 66 LYS CA . 18956 1
789 . 1 1 66 66 LYS CB C 13 32.534 0.021 . 1 . 715 . . 66 LYS CB . 18956 1
790 . 1 1 66 66 LYS CG C 13 24.589 0.009 . 1 . 718 . . 66 LYS CG . 18956 1
791 . 1 1 66 66 LYS CD C 13 29.030 0.038 . 1 . 716 . . 66 LYS CD . 18956 1
792 . 1 1 66 66 LYS CE C 13 41.790 0.002 . 1 . 717 . . 66 LYS CE . 18956 1
793 . 1 1 66 66 LYS N N 15 126.768 0.075 . 1 . 729 . . 66 LYS N . 18956 1
794 . 1 1 67 67 PRO HA H 1 4.451 0.005 . 1 . 735 . . 67 PRO HA . 18956 1
795 . 1 1 67 67 PRO HB2 H 1 1.890 0.008 . 2 . 736 . . 67 PRO HB2 . 18956 1
796 . 1 1 67 67 PRO HB3 H 1 2.278 0.001 . 2 . 737 . . 67 PRO HB3 . 18956 1
797 . 1 1 67 67 PRO HG2 H 1 2.014 0.006 . 1 . 740 . . 67 PRO HG2 . 18956 1
798 . 1 1 67 67 PRO HG3 H 1 2.014 0.006 . 1 . 741 . . 67 PRO HG3 . 18956 1
799 . 1 1 67 67 PRO HD2 H 1 3.628 0.004 . 2 . 738 . . 67 PRO HD2 . 18956 1
800 . 1 1 67 67 PRO HD3 H 1 3.832 0.005 . 2 . 739 . . 67 PRO HD3 . 18956 1
801 . 1 1 67 67 PRO C C 13 176.980 . . 1 . 730 . . 67 PRO C . 18956 1
802 . 1 1 67 67 PRO CA C 13 62.898 0.026 . 1 . 731 . . 67 PRO CA . 18956 1
803 . 1 1 67 67 PRO CB C 13 32.100 0.027 . 1 . 732 . . 67 PRO CB . 18956 1
804 . 1 1 67 67 PRO CG C 13 27.410 0.046 . 1 . 734 . . 67 PRO CG . 18956 1
805 . 1 1 67 67 PRO CD C 13 50.664 0.016 . 1 . 733 . . 67 PRO CD . 18956 1
806 . 1 1 68 68 ILE H H 1 8.268 0.003 . 1 . 748 . . 68 ILE H . 18956 1
807 . 1 1 68 68 ILE HA H 1 4.146 0.008 . 1 . 749 . . 68 ILE HA . 18956 1
808 . 1 1 68 68 ILE HB H 1 1.858 0.007 . 1 . 750 . . 68 ILE HB . 18956 1
809 . 1 1 68 68 ILE HG12 H 1 1.218 0.006 . 2 . 752 . . 68 ILE HG12 . 18956 1
810 . 1 1 68 68 ILE HG13 H 1 1.501 0.005 . 2 . 753 . . 68 ILE HG13 . 18956 1
811 . 1 1 68 68 ILE HG21 H 1 0.925 0.005 . 1 . 754 . . 68 ILE HG21 . 18956 1
812 . 1 1 68 68 ILE HG22 H 1 0.925 0.005 . 1 . 754 . . 68 ILE HG22 . 18956 1
813 . 1 1 68 68 ILE HG23 H 1 0.925 0.005 . 1 . 754 . . 68 ILE HG23 . 18956 1
814 . 1 1 68 68 ILE HD11 H 1 0.871 0.005 . 1 . 751 . . 68 ILE HD11 . 18956 1
815 . 1 1 68 68 ILE HD12 H 1 0.871 0.005 . 1 . 751 . . 68 ILE HD12 . 18956 1
816 . 1 1 68 68 ILE HD13 H 1 0.871 0.005 . 1 . 751 . . 68 ILE HD13 . 18956 1
817 . 1 1 68 68 ILE C C 13 176.360 0.001 . 1 . 742 . . 68 ILE C . 18956 1
818 . 1 1 68 68 ILE CA C 13 61.302 0.012 . 1 . 743 . . 68 ILE CA . 18956 1
819 . 1 1 68 68 ILE CB C 13 38.794 0.031 . 1 . 744 . . 68 ILE CB . 18956 1
820 . 1 1 68 68 ILE CG1 C 13 27.369 0.012 . 1 . 746 . . 68 ILE CG1 . 18956 1
821 . 1 1 68 68 ILE CG2 C 13 17.551 0.036 . 1 . 747 . . 68 ILE CG2 . 18956 1
822 . 1 1 68 68 ILE CD1 C 13 13.091 0.015 . 1 . 745 . . 68 ILE CD1 . 18956 1
823 . 1 1 68 68 ILE N N 15 121.178 0.042 . 1 . 755 . . 68 ILE N . 18956 1
824 . 1 1 69 69 SER H H 1 8.316 0.003 . 1 . 759 . . 69 SER H . 18956 1
825 . 1 1 69 69 SER HA H 1 4.560 0.002 . 1 . 760 . . 69 SER HA . 18956 1
826 . 1 1 69 69 SER HB2 H 1 3.856 0.002 . 1 . 761 . . 69 SER HB2 . 18956 1
827 . 1 1 69 69 SER HB3 H 1 3.856 0.002 . 1 . 762 . . 69 SER HB3 . 18956 1
828 . 1 1 69 69 SER C C 13 174.164 0.001 . 1 . 756 . . 69 SER C . 18956 1
829 . 1 1 69 69 SER CA C 13 58.132 0.026 . 1 . 757 . . 69 SER CA . 18956 1
830 . 1 1 69 69 SER CB C 13 63.840 0.104 . 1 . 758 . . 69 SER CB . 18956 1
831 . 1 1 69 69 SER N N 15 119.278 0.03 . 1 . 763 . . 69 SER N . 18956 1
832 . 1 1 70 70 GLN H H 1 8.386 0.006 . 1 . 768 . . 70 GLN H . 18956 1
833 . 1 1 70 70 GLN HA H 1 4.365 0.005 . 1 . 769 . . 70 GLN HA . 18956 1
834 . 1 1 70 70 GLN HB2 H 1 1.962 0.006 . 2 . 770 . . 70 GLN HB2 . 18956 1
835 . 1 1 70 70 GLN HB3 H 1 2.149 0.005 . 2 . 771 . . 70 GLN HB3 . 18956 1
836 . 1 1 70 70 GLN HG2 H 1 2.363 0.008 . 1 . 772 . . 70 GLN HG2 . 18956 1
837 . 1 1 70 70 GLN HG3 H 1 2.363 0.008 . 1 . 773 . . 70 GLN HG3 . 18956 1
838 . 1 1 70 70 GLN C C 13 174.789 0.005 . 1 . 764 . . 70 GLN C . 18956 1
839 . 1 1 70 70 GLN CA C 13 55.807 0.016 . 1 . 765 . . 70 GLN CA . 18956 1
840 . 1 1 70 70 GLN CB C 13 29.671 0.035 . 1 . 766 . . 70 GLN CB . 18956 1
841 . 1 1 70 70 GLN CG C 13 33.779 0.028 . 1 . 767 . . 70 GLN CG . 18956 1
842 . 1 1 70 70 GLN N N 15 123.265 0.031 . 1 . 774 . . 70 GLN N . 18956 1
843 . 1 1 71 71 LYS H H 1 8.003 0.008 . 1 . 781 . . 71 LYS H . 18956 1
844 . 1 1 71 71 LYS HA H 1 4.145 0.004 . 1 . 782 . . 71 LYS HA . 18956 1
845 . 1 1 71 71 LYS HB2 H 1 1.706 0.003 . 2 . 783 . . 71 LYS HB2 . 18956 1
846 . 1 1 71 71 LYS HB3 H 1 1.814 0.008 . 2 . 784 . . 71 LYS HB3 . 18956 1
847 . 1 1 71 71 LYS HG2 H 1 1.391 0.004 . 1 . 789 . . 71 LYS HG2 . 18956 1
848 . 1 1 71 71 LYS HG3 H 1 1.391 0.004 . 1 . 790 . . 71 LYS HG3 . 18956 1
849 . 1 1 71 71 LYS HD2 H 1 1.667 0.004 . 1 . 785 . . 71 LYS HD2 . 18956 1
850 . 1 1 71 71 LYS HD3 H 1 1.667 0.004 . 1 . 786 . . 71 LYS HD3 . 18956 1
851 . 1 1 71 71 LYS HE2 H 1 2.981 0.002 . 1 . 787 . . 71 LYS HE2 . 18956 1
852 . 1 1 71 71 LYS HE3 H 1 2.981 0.002 . 1 . 788 . . 71 LYS HE3 . 18956 1
853 . 1 1 71 71 LYS C C 13 181.214 . . 1 . 775 . . 71 LYS C . 18956 1
854 . 1 1 71 71 LYS CA C 13 57.751 0.028 . 1 . 776 . . 71 LYS CA . 18956 1
855 . 1 1 71 71 LYS CB C 13 33.621 0.003 . 1 . 777 . . 71 LYS CB . 18956 1
856 . 1 1 71 71 LYS CG C 13 24.746 0.026 . 1 . 780 . . 71 LYS CG . 18956 1
857 . 1 1 71 71 LYS CD C 13 29.036 0.027 . 1 . 778 . . 71 LYS CD . 18956 1
858 . 1 1 71 71 LYS CE C 13 41.968 0.081 . 1 . 779 . . 71 LYS CE . 18956 1
859 . 1 1 71 71 LYS N N 15 128.125 0.048 . 1 . 791 . . 71 LYS N . 18956 1
stop_
save_