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 19525
_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/4c7q/ebi/ccpn-export-bmrb-renum-3.2.star.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 NOESY 1 $sample_1 solution 19525 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 HA2 H 1 3.845 0.001 . 1 . 2 . . 1 GLY HA2 . 19525 1
2 . 1 1 1 1 GLY HA3 H 1 3.845 0.001 . 1 . 3 . . 1 GLY HA3 . 19525 1
3 . 1 1 1 1 GLY CA C 13 43.507 0.01 . 1 . 1 . . 1 GLY CA . 19525 1
4 . 1 1 2 2 MET HA H 1 4.478 0.006 . 1 . 8 . . 2 MET HA . 19525 1
5 . 1 1 2 2 MET HB2 H 1 2.098 0.009 . 2 . 9 . . 2 MET HB2 . 19525 1
6 . 1 1 2 2 MET HB3 H 1 2.012 0.009 . 2 . 10 . . 2 MET HB3 . 19525 1
7 . 1 1 2 2 MET HG2 H 1 2.579 0.004 . 2 . 12 . . 2 MET HG2 . 19525 1
8 . 1 1 2 2 MET HG3 H 1 2.612 0.009 . 2 . 13 . . 2 MET HG3 . 19525 1
9 . 1 1 2 2 MET HE1 H 1 1.691 0.001 . 1 . 11 . . 2 MET HE1 . 19525 1
10 . 1 1 2 2 MET HE2 H 1 1.691 0.001 . 1 . 11 . . 2 MET HE2 . 19525 1
11 . 1 1 2 2 MET HE3 H 1 1.691 0.001 . 1 . 11 . . 2 MET HE3 . 19525 1
12 . 1 1 2 2 MET CA C 13 55.682 0.034 . 1 . 4 . . 2 MET CA . 19525 1
13 . 1 1 2 2 MET CB C 13 33.139 0.047 . 1 . 5 . . 2 MET CB . 19525 1
14 . 1 1 2 2 MET CG C 13 31.833 0.067 . 1 . 7 . . 2 MET CG . 19525 1
15 . 1 1 2 2 MET CE C 13 16.144 0.01 . 1 . 6 . . 2 MET CE . 19525 1
16 . 1 1 3 3 ALA H H 1 8.473 0.002 . 1 . 17 . . 3 ALA H . 19525 1
17 . 1 1 3 3 ALA HA H 1 4.320 0.003 . 1 . 18 . . 3 ALA HA . 19525 1
18 . 1 1 3 3 ALA HB1 H 1 1.393 0.009 . 1 . 19 . . 3 ALA HB1 . 19525 1
19 . 1 1 3 3 ALA HB2 H 1 1.393 0.009 . 1 . 19 . . 3 ALA HB2 . 19525 1
20 . 1 1 3 3 ALA HB3 H 1 1.393 0.009 . 1 . 19 . . 3 ALA HB3 . 19525 1
21 . 1 1 3 3 ALA C C 13 177.472 0.01 . 1 . 14 . . 3 ALA C . 19525 1
22 . 1 1 3 3 ALA CA C 13 52.489 0.029 . 1 . 15 . . 3 ALA CA . 19525 1
23 . 1 1 3 3 ALA CB C 13 19.288 0.037 . 1 . 16 . . 3 ALA CB . 19525 1
24 . 1 1 3 3 ALA N N 15 125.300 0.018 . 1 . 20 . . 3 ALA N . 19525 1
25 . 1 1 4 4 GLU H H 1 8.375 0.003 . 1 . 25 . . 4 GLU H . 19525 1
26 . 1 1 4 4 GLU HA H 1 4.267 0.005 . 1 . 26 . . 4 GLU HA . 19525 1
27 . 1 1 4 4 GLU HB2 H 1 1.912 0.02 . 2 . 27 . . 4 GLU HB2 . 19525 1
28 . 1 1 4 4 GLU HB3 H 1 2.019 0.023 . 2 . 28 . . 4 GLU HB3 . 19525 1
29 . 1 1 4 4 GLU HG2 H 1 2.272 0.009 . 2 . 29 . . 4 GLU HG2 . 19525 1
30 . 1 1 4 4 GLU HG3 H 1 2.263 0.009 . 2 . 30 . . 4 GLU HG3 . 19525 1
31 . 1 1 4 4 GLU C C 13 176.156 0.01 . 1 . 21 . . 4 GLU C . 19525 1
32 . 1 1 4 4 GLU CA C 13 56.597 0.071 . 1 . 22 . . 4 GLU CA . 19525 1
33 . 1 1 4 4 GLU CB C 13 30.204 0.066 . 1 . 23 . . 4 GLU CB . 19525 1
34 . 1 1 4 4 GLU CG C 13 36.351 0.069 . 1 . 24 . . 4 GLU CG . 19525 1
35 . 1 1 4 4 GLU N N 15 120.541 0.009 . 1 . 31 . . 4 GLU N . 19525 1
36 . 1 1 5 5 VAL H H 1 8.053 0.001 . 1 . 37 . . 5 VAL H . 19525 1
37 . 1 1 5 5 VAL HA H 1 3.983 0.003 . 1 . 38 . . 5 VAL HA . 19525 1
38 . 1 1 5 5 VAL HB H 1 1.875 0.004 . 1 . 39 . . 5 VAL HB . 19525 1
39 . 1 1 5 5 VAL HG11 H 1 0.850 0.003 . 2 . 40 . . 5 VAL HG11 . 19525 1
40 . 1 1 5 5 VAL HG12 H 1 0.850 0.003 . 2 . 40 . . 5 VAL HG12 . 19525 1
41 . 1 1 5 5 VAL HG13 H 1 0.850 0.003 . 2 . 40 . . 5 VAL HG13 . 19525 1
42 . 1 1 5 5 VAL HG21 H 1 0.694 0.005 . 2 . 41 . . 5 VAL HG21 . 19525 1
43 . 1 1 5 5 VAL HG22 H 1 0.694 0.005 . 2 . 41 . . 5 VAL HG22 . 19525 1
44 . 1 1 5 5 VAL HG23 H 1 0.694 0.005 . 2 . 41 . . 5 VAL HG23 . 19525 1
45 . 1 1 5 5 VAL C C 13 174.469 0.01 . 1 . 32 . . 5 VAL C . 19525 1
46 . 1 1 5 5 VAL CA C 13 62.023 0.022 . 1 . 33 . . 5 VAL CA . 19525 1
47 . 1 1 5 5 VAL CB C 13 33.057 0.055 . 1 . 34 . . 5 VAL CB . 19525 1
48 . 1 1 5 5 VAL CG1 C 13 20.739 0.034 . 2 . 35 . . 5 VAL CG1 . 19525 1
49 . 1 1 5 5 VAL CG2 C 13 21.232 0.044 . 2 . 36 . . 5 VAL CG2 . 19525 1
50 . 1 1 5 5 VAL N N 15 121.276 0.026 . 1 . 42 . . 5 VAL N . 19525 1
51 . 1 1 6 6 GLU H H 1 8.002 0.001 . 1 . 47 . . 6 GLU H . 19525 1
52 . 1 1 6 6 GLU HA H 1 4.272 0.009 . 1 . 48 . . 6 GLU HA . 19525 1
53 . 1 1 6 6 GLU HB2 H 1 1.749 0.004 . 1 . 49 . . 6 GLU HB2 . 19525 1
54 . 1 1 6 6 GLU HB3 H 1 1.749 0.004 . 1 . 50 . . 6 GLU HB3 . 19525 1
55 . 1 1 6 6 GLU HG2 H 1 2.075 0.003 . 2 . 51 . . 6 GLU HG2 . 19525 1
56 . 1 1 6 6 GLU HG3 H 1 2.019 0.002 . 2 . 52 . . 6 GLU HG3 . 19525 1
57 . 1 1 6 6 GLU C C 13 175.122 0.01 . 1 . 43 . . 6 GLU C . 19525 1
58 . 1 1 6 6 GLU CA C 13 54.662 0.028 . 1 . 44 . . 6 GLU CA . 19525 1
59 . 1 1 6 6 GLU CB C 13 32.400 0.038 . 1 . 45 . . 6 GLU CB . 19525 1
60 . 1 1 6 6 GLU CG C 13 36.233 0.032 . 1 . 46 . . 6 GLU CG . 19525 1
61 . 1 1 6 6 GLU N N 15 123.138 0.013 . 1 . 53 . . 6 GLU N . 19525 1
62 . 1 1 7 7 TYR H H 1 8.575 0.003 . 1 . 61 . . 7 TYR H . 19525 1
63 . 1 1 7 7 TYR HA H 1 4.867 0.003 . 1 . 62 . . 7 TYR HA . 19525 1
64 . 1 1 7 7 TYR HB2 H 1 2.929 0.008 . 2 . 63 . . 7 TYR HB2 . 19525 1
65 . 1 1 7 7 TYR HB3 H 1 3.275 0.007 . 2 . 64 . . 7 TYR HB3 . 19525 1
66 . 1 1 7 7 TYR HD1 H 1 6.977 0.001 . 3 . 65 . . 7 TYR HD1 . 19525 1
67 . 1 1 7 7 TYR HD2 H 1 6.977 0.001 . 3 . 66 . . 7 TYR HD2 . 19525 1
68 . 1 1 7 7 TYR HE1 H 1 6.807 0.001 . 3 . 67 . . 7 TYR HE1 . 19525 1
69 . 1 1 7 7 TYR HE2 H 1 6.789 0.001 . 3 . 68 . . 7 TYR HE2 . 19525 1
70 . 1 1 7 7 TYR C C 13 174.136 0.01 . 1 . 54 . . 7 TYR C . 19525 1
71 . 1 1 7 7 TYR CA C 13 57.380 0.035 . 1 . 55 . . 7 TYR CA . 19525 1
72 . 1 1 7 7 TYR CB C 13 36.940 0.054 . 1 . 56 . . 7 TYR CB . 19525 1
73 . 1 1 7 7 TYR CD1 C 13 132.560 0.01 . 3 . 57 . . 7 TYR CD1 . 19525 1
74 . 1 1 7 7 TYR CD2 C 13 132.698 0.01 . 3 . 58 . . 7 TYR CD2 . 19525 1
75 . 1 1 7 7 TYR CE1 C 13 118.303 0.01 . 3 . 59 . . 7 TYR CE1 . 19525 1
76 . 1 1 7 7 TYR CE2 C 13 118.303 0.01 . 3 . 60 . . 7 TYR CE2 . 19525 1
77 . 1 1 7 7 TYR N N 15 124.449 0.013 . 1 . 69 . . 7 TYR N . 19525 1
78 . 1 1 8 8 ARG H H 1 8.435 0.003 . 1 . 75 . . 8 ARG H . 19525 1
79 . 1 1 8 8 ARG HA H 1 5.458 0.003 . 1 . 76 . . 8 ARG HA . 19525 1
80 . 1 1 8 8 ARG HB2 H 1 1.618 0.007 . 2 . 77 . . 8 ARG HB2 . 19525 1
81 . 1 1 8 8 ARG HB3 H 1 1.801 0.006 . 2 . 78 . . 8 ARG HB3 . 19525 1
82 . 1 1 8 8 ARG HG2 H 1 1.534 0.004 . 2 . 81 . . 8 ARG HG2 . 19525 1
83 . 1 1 8 8 ARG HG3 H 1 1.489 0.007 . 2 . 82 . . 8 ARG HG3 . 19525 1
84 . 1 1 8 8 ARG HD2 H 1 2.832 0.005 . 1 . 79 . . 8 ARG HD2 . 19525 1
85 . 1 1 8 8 ARG HD3 H 1 2.832 0.005 . 1 . 80 . . 8 ARG HD3 . 19525 1
86 . 1 1 8 8 ARG C C 13 175.466 0.01 . 1 . 70 . . 8 ARG C . 19525 1
87 . 1 1 8 8 ARG CA C 13 54.838 0.037 . 1 . 71 . . 8 ARG CA . 19525 1
88 . 1 1 8 8 ARG CB C 13 34.469 0.066 . 1 . 72 . . 8 ARG CB . 19525 1
89 . 1 1 8 8 ARG CG C 13 27.605 0.065 . 1 . 74 . . 8 ARG CG . 19525 1
90 . 1 1 8 8 ARG CD C 13 43.489 0.018 . 1 . 73 . . 8 ARG CD . 19525 1
91 . 1 1 8 8 ARG N N 15 124.695 0.013 . 1 . 83 . . 8 ARG N . 19525 1
92 . 1 1 9 9 CYS H H 1 9.646 0.004 . 1 . 87 . . 9 CYS H . 19525 1
93 . 1 1 9 9 CYS HA H 1 5.244 0.003 . 1 . 88 . . 9 CYS HA . 19525 1
94 . 1 1 9 9 CYS HB2 H 1 2.742 0.011 . 2 . 89 . . 9 CYS HB2 . 19525 1
95 . 1 1 9 9 CYS HB3 H 1 2.789 0.008 . 2 . 90 . . 9 CYS HB3 . 19525 1
96 . 1 1 9 9 CYS C C 13 174.079 0.01 . 1 . 84 . . 9 CYS C . 19525 1
97 . 1 1 9 9 CYS CA C 13 57.497 0.031 . 1 . 85 . . 9 CYS CA . 19525 1
98 . 1 1 9 9 CYS CB C 13 30.070 0.041 . 1 . 86 . . 9 CYS CB . 19525 1
99 . 1 1 9 9 CYS N N 15 121.621 0.021 . 1 . 91 . . 9 CYS N . 19525 1
100 . 1 1 10 10 PHE H H 1 9.202 0.006 . 1 . 97 . . 10 PHE H . 19525 1
101 . 1 1 10 10 PHE HA H 1 4.678 0.006 . 1 . 98 . . 10 PHE HA . 19525 1
102 . 1 1 10 10 PHE HB2 H 1 3.029 0.002 . 2 . 99 . . 10 PHE HB2 . 19525 1
103 . 1 1 10 10 PHE HB3 H 1 2.959 0.003 . 2 . 100 . . 10 PHE HB3 . 19525 1
104 . 1 1 10 10 PHE HD1 H 1 6.973 0.001 . 3 . 101 . . 10 PHE HD1 . 19525 1
105 . 1 1 10 10 PHE HD2 H 1 6.967 0.001 . 3 . 102 . . 10 PHE HD2 . 19525 1
106 . 1 1 10 10 PHE C C 13 173.448 0.01 . 1 . 92 . . 10 PHE C . 19525 1
107 . 1 1 10 10 PHE CA C 13 57.528 0.036 . 1 . 93 . . 10 PHE CA . 19525 1
108 . 1 1 10 10 PHE CB C 13 40.643 0.042 . 1 . 94 . . 10 PHE CB . 19525 1
109 . 1 1 10 10 PHE CD1 C 13 129.122 0.01 . 3 . 95 . . 10 PHE CD1 . 19525 1
110 . 1 1 10 10 PHE CD2 C 13 129.122 0.01 . 3 . 96 . . 10 PHE CD2 . 19525 1
111 . 1 1 10 10 PHE N N 15 125.674 0.015 . 1 . 103 . . 10 PHE N . 19525 1
112 . 1 1 11 11 VAL H H 1 8.030 0.009 . 1 . 109 . . 11 VAL H . 19525 1
113 . 1 1 11 11 VAL HA H 1 4.850 0.009 . 1 . 110 . . 11 VAL HA . 19525 1
114 . 1 1 11 11 VAL HB H 1 1.442 0.003 . 1 . 111 . . 11 VAL HB . 19525 1
115 . 1 1 11 11 VAL HG11 H 1 0.869 0.005 . 2 . 112 . . 11 VAL HG11 . 19525 1
116 . 1 1 11 11 VAL HG12 H 1 0.869 0.005 . 2 . 112 . . 11 VAL HG12 . 19525 1
117 . 1 1 11 11 VAL HG13 H 1 0.869 0.005 . 2 . 112 . . 11 VAL HG13 . 19525 1
118 . 1 1 11 11 VAL HG21 H 1 0.500 0.003 . 2 . 113 . . 11 VAL HG21 . 19525 1
119 . 1 1 11 11 VAL HG22 H 1 0.500 0.003 . 2 . 113 . . 11 VAL HG22 . 19525 1
120 . 1 1 11 11 VAL HG23 H 1 0.500 0.003 . 2 . 113 . . 11 VAL HG23 . 19525 1
121 . 1 1 11 11 VAL C C 13 173.767 0.01 . 1 . 104 . . 11 VAL C . 19525 1
122 . 1 1 11 11 VAL CA C 13 59.959 0.037 . 1 . 105 . . 11 VAL CA . 19525 1
123 . 1 1 11 11 VAL CB C 13 32.977 0.044 . 1 . 106 . . 11 VAL CB . 19525 1
124 . 1 1 11 11 VAL CG1 C 13 23.318 0.033 . 2 . 107 . . 11 VAL CG1 . 19525 1
125 . 1 1 11 11 VAL CG2 C 13 21.241 0.028 . 2 . 108 . . 11 VAL CG2 . 19525 1
126 . 1 1 11 11 VAL N N 15 127.666 0.02 . 1 . 114 . . 11 VAL N . 19525 1
127 . 1 1 12 12 GLY H H 1 9.055 0.005 . 1 . 117 . . 12 GLY H . 19525 1
128 . 1 1 12 12 GLY HA2 H 1 3.654 0.005 . 2 . 118 . . 12 GLY HA2 . 19525 1
129 . 1 1 12 12 GLY HA3 H 1 4.721 0.01 . 2 . 119 . . 12 GLY HA3 . 19525 1
130 . 1 1 12 12 GLY C C 13 173.753 0.01 . 1 . 115 . . 12 GLY C . 19525 1
131 . 1 1 12 12 GLY CA C 13 43.427 0.037 . 1 . 116 . . 12 GLY CA . 19525 1
132 . 1 1 12 12 GLY N N 15 111.765 0.02 . 1 . 120 . . 12 GLY N . 19525 1
133 . 1 1 13 13 GLY H H 1 8.210 0.003 . 1 . 123 . . 13 GLY H . 19525 1
134 . 1 1 13 13 GLY HA2 H 1 4.198 0.002 . 2 . 124 . . 13 GLY HA2 . 19525 1
135 . 1 1 13 13 GLY HA3 H 1 3.735 0.004 . 2 . 125 . . 13 GLY HA3 . 19525 1
136 . 1 1 13 13 GLY C C 13 175.168 0.01 . 1 . 121 . . 13 GLY C . 19525 1
137 . 1 1 13 13 GLY CA C 13 46.001 0.042 . 1 . 122 . . 13 GLY CA . 19525 1
138 . 1 1 13 13 GLY N N 15 107.061 0.011 . 1 . 126 . . 13 GLY N . 19525 1
139 . 1 1 14 14 LEU H H 1 7.591 0.005 . 1 . 133 . . 14 LEU H . 19525 1
140 . 1 1 14 14 LEU HA H 1 4.168 0.004 . 1 . 134 . . 14 LEU HA . 19525 1
141 . 1 1 14 14 LEU HB2 H 1 1.069 0.005 . 2 . 135 . . 14 LEU HB2 . 19525 1
142 . 1 1 14 14 LEU HB3 H 1 1.315 0.007 . 2 . 136 . . 14 LEU HB3 . 19525 1
143 . 1 1 14 14 LEU HG H 1 1.255 0.008 . 1 . 139 . . 14 LEU HG . 19525 1
144 . 1 1 14 14 LEU HD11 H 1 0.763 0.003 . 2 . 137 . . 14 LEU HD11 . 19525 1
145 . 1 1 14 14 LEU HD12 H 1 0.763 0.003 . 2 . 137 . . 14 LEU HD12 . 19525 1
146 . 1 1 14 14 LEU HD13 H 1 0.763 0.003 . 2 . 137 . . 14 LEU HD13 . 19525 1
147 . 1 1 14 14 LEU HD21 H 1 0.417 0.005 . 2 . 138 . . 14 LEU HD21 . 19525 1
148 . 1 1 14 14 LEU HD22 H 1 0.417 0.005 . 2 . 138 . . 14 LEU HD22 . 19525 1
149 . 1 1 14 14 LEU HD23 H 1 0.417 0.005 . 2 . 138 . . 14 LEU HD23 . 19525 1
150 . 1 1 14 14 LEU C C 13 178.690 0.01 . 1 . 127 . . 14 LEU C . 19525 1
151 . 1 1 14 14 LEU CA C 13 54.165 0.042 . 1 . 128 . . 14 LEU CA . 19525 1
152 . 1 1 14 14 LEU CB C 13 43.538 0.045 . 1 . 129 . . 14 LEU CB . 19525 1
153 . 1 1 14 14 LEU CG C 13 26.729 0.149 . 1 . 132 . . 14 LEU CG . 19525 1
154 . 1 1 14 14 LEU CD1 C 13 24.058 0.046 . 2 . 130 . . 14 LEU CD1 . 19525 1
155 . 1 1 14 14 LEU CD2 C 13 26.545 0.043 . 2 . 131 . . 14 LEU CD2 . 19525 1
156 . 1 1 14 14 LEU N N 15 114.980 0.01 . 1 . 140 . . 14 LEU N . 19525 1
157 . 1 1 15 15 ALA H H 1 9.683 0.002 . 1 . 144 . . 15 ALA H . 19525 1
158 . 1 1 15 15 ALA HA H 1 4.078 0.005 . 1 . 145 . . 15 ALA HA . 19525 1
159 . 1 1 15 15 ALA HB1 H 1 1.491 0.003 . 1 . 146 . . 15 ALA HB1 . 19525 1
160 . 1 1 15 15 ALA HB2 H 1 1.491 0.003 . 1 . 146 . . 15 ALA HB2 . 19525 1
161 . 1 1 15 15 ALA HB3 H 1 1.491 0.003 . 1 . 146 . . 15 ALA HB3 . 19525 1
162 . 1 1 15 15 ALA C C 13 179.477 0.01 . 1 . 141 . . 15 ALA C . 19525 1
163 . 1 1 15 15 ALA CA C 13 51.547 0.036 . 1 . 142 . . 15 ALA CA . 19525 1
164 . 1 1 15 15 ALA CB C 13 19.157 0.081 . 1 . 143 . . 15 ALA CB . 19525 1
165 . 1 1 15 15 ALA N N 15 124.275 0.022 . 1 . 147 . . 15 ALA N . 19525 1
166 . 1 1 16 16 TRP H H 1 8.107 0.005 . 1 . 156 . . 16 TRP H . 19525 1
167 . 1 1 16 16 TRP HA H 1 4.412 0.005 . 1 . 157 . . 16 TRP HA . 19525 1
168 . 1 1 16 16 TRP HB2 H 1 3.370 0.023 . 2 . 158 . . 16 TRP HB2 . 19525 1
169 . 1 1 16 16 TRP HB3 H 1 3.326 0.032 . 2 . 159 . . 16 TRP HB3 . 19525 1
170 . 1 1 16 16 TRP HD1 H 1 7.335 0.001 . 1 . 160 . . 16 TRP HD1 . 19525 1
171 . 1 1 16 16 TRP HE1 H 1 10.198 0.001 . 1 . 161 . . 16 TRP HE1 . 19525 1
172 . 1 1 16 16 TRP HE3 H 1 7.543 0.001 . 1 . 162 . . 16 TRP HE3 . 19525 1
173 . 1 1 16 16 TRP HZ2 H 1 7.537 0.001 . 1 . 164 . . 16 TRP HZ2 . 19525 1
174 . 1 1 16 16 TRP HZ3 H 1 7.108 0.001 . 1 . 165 . . 16 TRP HZ3 . 19525 1
175 . 1 1 16 16 TRP HH2 H 1 7.260 0.001 . 1 . 163 . . 16 TRP HH2 . 19525 1
176 . 1 1 16 16 TRP C C 13 177.006 0.01 . 1 . 148 . . 16 TRP C . 19525 1
177 . 1 1 16 16 TRP CA C 13 58.875 0.067 . 1 . 149 . . 16 TRP CA . 19525 1
178 . 1 1 16 16 TRP CB C 13 28.661 0.058 . 1 . 150 . . 16 TRP CB . 19525 1
179 . 1 1 16 16 TRP CD1 C 13 127.360 0.01 . 1 . 151 . . 16 TRP CD1 . 19525 1
180 . 1 1 16 16 TRP CE3 C 13 120.841 0.01 . 1 . 152 . . 16 TRP CE3 . 19525 1
181 . 1 1 16 16 TRP CZ2 C 13 114.753 0.01 . 1 . 154 . . 16 TRP CZ2 . 19525 1
182 . 1 1 16 16 TRP CZ3 C 13 122.266 0.01 . 1 . 155 . . 16 TRP CZ3 . 19525 1
183 . 1 1 16 16 TRP CH2 C 13 124.884 0.01 . 1 . 153 . . 16 TRP CH2 . 19525 1
184 . 1 1 16 16 TRP N N 15 122.724 0.021 . 1 . 166 . . 16 TRP N . 19525 1
185 . 1 1 16 16 TRP NE1 N 15 129.251 0.01 . 1 . 167 . . 16 TRP NE1 . 19525 1
186 . 1 1 17 17 ALA H H 1 7.474 0.002 . 1 . 171 . . 17 ALA H . 19525 1
187 . 1 1 17 17 ALA HA H 1 4.099 0.003 . 1 . 172 . . 17 ALA HA . 19525 1
188 . 1 1 17 17 ALA HB1 H 1 1.178 0.004 . 1 . 173 . . 17 ALA HB1 . 19525 1
189 . 1 1 17 17 ALA HB2 H 1 1.178 0.004 . 1 . 173 . . 17 ALA HB2 . 19525 1
190 . 1 1 17 17 ALA HB3 H 1 1.178 0.004 . 1 . 173 . . 17 ALA HB3 . 19525 1
191 . 1 1 17 17 ALA C C 13 178.136 0.01 . 1 . 168 . . 17 ALA C . 19525 1
192 . 1 1 17 17 ALA CA C 13 52.619 0.033 . 1 . 169 . . 17 ALA CA . 19525 1
193 . 1 1 17 17 ALA CB C 13 19.252 0.024 . 1 . 170 . . 17 ALA CB . 19525 1
194 . 1 1 17 17 ALA N N 15 115.943 0.02 . 1 . 174 . . 17 ALA N . 19525 1
195 . 1 1 18 18 THR H H 1 7.325 0.005 . 1 . 179 . . 18 THR H . 19525 1
196 . 1 1 18 18 THR HA H 1 4.049 0.003 . 1 . 180 . . 18 THR HA . 19525 1
197 . 1 1 18 18 THR HB H 1 3.904 0.002 . 1 . 181 . . 18 THR HB . 19525 1
198 . 1 1 18 18 THR HG21 H 1 1.253 0.004 . 1 . 182 . . 18 THR HG21 . 19525 1
199 . 1 1 18 18 THR HG22 H 1 1.253 0.004 . 1 . 182 . . 18 THR HG22 . 19525 1
200 . 1 1 18 18 THR HG23 H 1 1.253 0.004 . 1 . 182 . . 18 THR HG23 . 19525 1
201 . 1 1 18 18 THR C C 13 174.168 0.01 . 1 . 175 . . 18 THR C . 19525 1
202 . 1 1 18 18 THR CA C 13 65.136 0.02 . 1 . 176 . . 18 THR CA . 19525 1
203 . 1 1 18 18 THR CB C 13 68.355 0.023 . 1 . 177 . . 18 THR CB . 19525 1
204 . 1 1 18 18 THR CG2 C 13 23.531 0.03 . 1 . 178 . . 18 THR CG2 . 19525 1
205 . 1 1 18 18 THR N N 15 117.194 0.015 . 1 . 183 . . 18 THR N . 19525 1
206 . 1 1 19 19 THR H H 1 7.997 0.003 . 1 . 188 . . 19 THR H . 19525 1
207 . 1 1 19 19 THR HA H 1 4.749 0.005 . 1 . 189 . . 19 THR HA . 19525 1
208 . 1 1 19 19 THR HB H 1 4.773 0.006 . 1 . 190 . . 19 THR HB . 19525 1
209 . 1 1 19 19 THR HG21 H 1 1.345 0.004 . 1 . 191 . . 19 THR HG21 . 19525 1
210 . 1 1 19 19 THR HG22 H 1 1.345 0.004 . 1 . 191 . . 19 THR HG22 . 19525 1
211 . 1 1 19 19 THR HG23 H 1 1.345 0.004 . 1 . 191 . . 19 THR HG23 . 19525 1
212 . 1 1 19 19 THR C C 13 174.948 0.01 . 1 . 184 . . 19 THR C . 19525 1
213 . 1 1 19 19 THR CA C 13 59.466 0.044 . 1 . 185 . . 19 THR CA . 19525 1
214 . 1 1 19 19 THR CB C 13 73.045 0.064 . 1 . 186 . . 19 THR CB . 19525 1
215 . 1 1 19 19 THR CG2 C 13 21.712 0.029 . 1 . 187 . . 19 THR CG2 . 19525 1
216 . 1 1 19 19 THR N N 15 117.853 0.018 . 1 . 192 . . 19 THR N . 19525 1
217 . 1 1 20 20 ASP H H 1 8.819 0.005 . 1 . 196 . . 20 ASP H . 19525 1
218 . 1 1 20 20 ASP HA H 1 3.897 0.003 . 1 . 197 . . 20 ASP HA . 19525 1
219 . 1 1 20 20 ASP HB2 H 1 2.665 0.008 . 2 . 198 . . 20 ASP HB2 . 19525 1
220 . 1 1 20 20 ASP HB3 H 1 2.866 0.01 . 2 . 199 . . 20 ASP HB3 . 19525 1
221 . 1 1 20 20 ASP C C 13 179.140 0.01 . 1 . 193 . . 20 ASP C . 19525 1
222 . 1 1 20 20 ASP CA C 13 57.851 0.026 . 1 . 194 . . 20 ASP CA . 19525 1
223 . 1 1 20 20 ASP CB C 13 40.053 0.063 . 1 . 195 . . 20 ASP CB . 19525 1
224 . 1 1 20 20 ASP N N 15 119.977 0.007 . 1 . 200 . . 20 ASP N . 19525 1
225 . 1 1 21 21 GLN H H 1 8.118 0.005 . 1 . 206 . . 21 GLN H . 19525 1
226 . 1 1 21 21 GLN HA H 1 4.121 0.005 . 1 . 207 . . 21 GLN HA . 19525 1
227 . 1 1 21 21 GLN HB2 H 1 1.994 0.004 . 2 . 208 . . 21 GLN HB2 . 19525 1
228 . 1 1 21 21 GLN HB3 H 1 2.173 0.007 . 2 . 209 . . 21 GLN HB3 . 19525 1
229 . 1 1 21 21 GLN HG2 H 1 2.403 0.001 . 1 . 212 . . 21 GLN HG2 . 19525 1
230 . 1 1 21 21 GLN HG3 H 1 2.403 0.001 . 1 . 213 . . 21 GLN HG3 . 19525 1
231 . 1 1 21 21 GLN HE21 H 1 7.786 0.001 . 1 . 210 . . 21 GLN HE21 . 19525 1
232 . 1 1 21 21 GLN HE22 H 1 6.890 0.001 . 1 . 211 . . 21 GLN HE22 . 19525 1
233 . 1 1 21 21 GLN C C 13 178.642 0.01 . 1 . 201 . . 21 GLN C . 19525 1
234 . 1 1 21 21 GLN CA C 13 59.043 0.024 . 1 . 202 . . 21 GLN CA . 19525 1
235 . 1 1 21 21 GLN CB C 13 28.330 0.093 . 1 . 203 . . 21 GLN CB . 19525 1
236 . 1 1 21 21 GLN CG C 13 33.696 0.018 . 1 . 205 . . 21 GLN CG . 19525 1
237 . 1 1 21 21 GLN CD C 13 180.247 0.001 . 1 . 204 . . 21 GLN CD . 19525 1
238 . 1 1 21 21 GLN N N 15 118.555 0.019 . 1 . 214 . . 21 GLN N . 19525 1
239 . 1 1 21 21 GLN NE2 N 15 112.915 0.011 . 1 . 215 . . 21 GLN NE2 . 19525 1
240 . 1 1 22 22 THR H H 1 8.112 0.002 . 1 . 220 . . 22 THR H . 19525 1
241 . 1 1 22 22 THR HA H 1 4.110 0.001 . 1 . 221 . . 22 THR HA . 19525 1
242 . 1 1 22 22 THR HB H 1 4.436 0.003 . 1 . 222 . . 22 THR HB . 19525 1
243 . 1 1 22 22 THR HG21 H 1 1.339 0.003 . 1 . 223 . . 22 THR HG21 . 19525 1
244 . 1 1 22 22 THR HG22 H 1 1.339 0.003 . 1 . 223 . . 22 THR HG22 . 19525 1
245 . 1 1 22 22 THR HG23 H 1 1.339 0.003 . 1 . 223 . . 22 THR HG23 . 19525 1
246 . 1 1 22 22 THR C C 13 177.920 0.01 . 1 . 216 . . 22 THR C . 19525 1
247 . 1 1 22 22 THR CA C 13 65.733 0.036 . 1 . 217 . . 22 THR CA . 19525 1
248 . 1 1 22 22 THR CB C 13 68.000 0.033 . 1 . 218 . . 22 THR CB . 19525 1
249 . 1 1 22 22 THR CG2 C 13 22.764 0.031 . 1 . 219 . . 22 THR CG2 . 19525 1
250 . 1 1 22 22 THR N N 15 116.067 0.018 . 1 . 224 . . 22 THR N . 19525 1
251 . 1 1 23 23 LEU H H 1 8.484 0.002 . 1 . 231 . . 23 LEU H . 19525 1
252 . 1 1 23 23 LEU HA H 1 4.093 0.005 . 1 . 232 . . 23 LEU HA . 19525 1
253 . 1 1 23 23 LEU HB2 H 1 1.273 0.01 . 2 . 233 . . 23 LEU HB2 . 19525 1
254 . 1 1 23 23 LEU HB3 H 1 1.744 0.009 . 2 . 234 . . 23 LEU HB3 . 19525 1
255 . 1 1 23 23 LEU HG H 1 1.194 0.006 . 1 . 237 . . 23 LEU HG . 19525 1
256 . 1 1 23 23 LEU HD11 H 1 0.678 0.005 . 2 . 235 . . 23 LEU HD11 . 19525 1
257 . 1 1 23 23 LEU HD12 H 1 0.678 0.005 . 2 . 235 . . 23 LEU HD12 . 19525 1
258 . 1 1 23 23 LEU HD13 H 1 0.678 0.005 . 2 . 235 . . 23 LEU HD13 . 19525 1
259 . 1 1 23 23 LEU HD21 H 1 0.432 0.003 . 2 . 236 . . 23 LEU HD21 . 19525 1
260 . 1 1 23 23 LEU HD22 H 1 0.432 0.003 . 2 . 236 . . 23 LEU HD22 . 19525 1
261 . 1 1 23 23 LEU HD23 H 1 0.432 0.003 . 2 . 236 . . 23 LEU HD23 . 19525 1
262 . 1 1 23 23 LEU C C 13 178.096 0.01 . 1 . 225 . . 23 LEU C . 19525 1
263 . 1 1 23 23 LEU CA C 13 58.445 0.055 . 1 . 226 . . 23 LEU CA . 19525 1
264 . 1 1 23 23 LEU CB C 13 42.299 0.036 . 1 . 227 . . 23 LEU CB . 19525 1
265 . 1 1 23 23 LEU CG C 13 26.290 0.065 . 1 . 230 . . 23 LEU CG . 19525 1
266 . 1 1 23 23 LEU CD1 C 13 25.613 0.047 . 2 . 228 . . 23 LEU CD1 . 19525 1
267 . 1 1 23 23 LEU CD2 C 13 24.603 0.066 . 2 . 229 . . 23 LEU CD2 . 19525 1
268 . 1 1 23 23 LEU N N 15 123.941 0.015 . 1 . 238 . . 23 LEU N . 19525 1
269 . 1 1 24 24 GLY H H 1 7.779 0.007 . 1 . 241 . . 24 GLY H . 19525 1
270 . 1 1 24 24 GLY HA2 H 1 4.023 0.004 . 2 . 242 . . 24 GLY HA2 . 19525 1
271 . 1 1 24 24 GLY HA3 H 1 3.621 0.005 . 2 . 243 . . 24 GLY HA3 . 19525 1
272 . 1 1 24 24 GLY C C 13 176.705 0.01 . 1 . 239 . . 24 GLY C . 19525 1
273 . 1 1 24 24 GLY CA C 13 47.692 0.035 . 1 . 240 . . 24 GLY CA . 19525 1
274 . 1 1 24 24 GLY N N 15 104.724 0.017 . 1 . 244 . . 24 GLY N . 19525 1
275 . 1 1 25 25 GLU H H 1 8.334 0.005 . 1 . 249 . . 25 GLU H . 19525 1
276 . 1 1 25 25 GLU HA H 1 4.045 0.006 . 1 . 250 . . 25 GLU HA . 19525 1
277 . 1 1 25 25 GLU HB2 H 1 2.062 0.006 . 2 . 251 . . 25 GLU HB2 . 19525 1
278 . 1 1 25 25 GLU HB3 H 1 2.151 0.01 . 2 . 252 . . 25 GLU HB3 . 19525 1
279 . 1 1 25 25 GLU HG2 H 1 2.458 0.004 . 2 . 253 . . 25 GLU HG2 . 19525 1
280 . 1 1 25 25 GLU HG3 H 1 2.311 0.005 . 2 . 254 . . 25 GLU HG3 . 19525 1
281 . 1 1 25 25 GLU C C 13 179.898 0.01 . 1 . 245 . . 25 GLU C . 19525 1
282 . 1 1 25 25 GLU CA C 13 59.504 0.019 . 1 . 246 . . 25 GLU CA . 19525 1
283 . 1 1 25 25 GLU CB C 13 29.577 0.05 . 1 . 247 . . 25 GLU CB . 19525 1
284 . 1 1 25 25 GLU CG C 13 36.577 0.014 . 1 . 248 . . 25 GLU CG . 19525 1
285 . 1 1 25 25 GLU N N 15 120.962 0.016 . 1 . 255 . . 25 GLU N . 19525 1
286 . 1 1 26 26 ALA H H 1 7.939 0.008 . 1 . 259 . . 26 ALA H . 19525 1
287 . 1 1 26 26 ALA HA H 1 4.284 0.002 . 1 . 260 . . 26 ALA HA . 19525 1
288 . 1 1 26 26 ALA HB1 H 1 1.624 0.003 . 1 . 261 . . 26 ALA HB1 . 19525 1
289 . 1 1 26 26 ALA HB2 H 1 1.624 0.003 . 1 . 261 . . 26 ALA HB2 . 19525 1
290 . 1 1 26 26 ALA HB3 H 1 1.624 0.003 . 1 . 261 . . 26 ALA HB3 . 19525 1
291 . 1 1 26 26 ALA C C 13 179.100 0.01 . 1 . 256 . . 26 ALA C . 19525 1
292 . 1 1 26 26 ALA CA C 13 54.743 0.044 . 1 . 257 . . 26 ALA CA . 19525 1
293 . 1 1 26 26 ALA CB C 13 18.897 0.053 . 1 . 258 . . 26 ALA CB . 19525 1
294 . 1 1 26 26 ALA N N 15 121.172 0.01 . 1 . 262 . . 26 ALA N . 19525 1
295 . 1 1 27 27 PHE H H 1 7.994 0.007 . 1 . 271 . . 27 PHE H . 19525 1
296 . 1 1 27 27 PHE HA H 1 4.686 0.004 . 1 . 272 . . 27 PHE HA . 19525 1
297 . 1 1 27 27 PHE HB2 H 1 3.106 0.003 . 2 . 273 . . 27 PHE HB2 . 19525 1
298 . 1 1 27 27 PHE HB3 H 1 3.505 0.004 . 2 . 274 . . 27 PHE HB3 . 19525 1
299 . 1 1 27 27 PHE HD1 H 1 7.798 0.01 . 3 . 275 . . 27 PHE HD1 . 19525 1
300 . 1 1 27 27 PHE HD2 H 1 7.805 0.002 . 3 . 276 . . 27 PHE HD2 . 19525 1
301 . 1 1 27 27 PHE HE1 H 1 7.067 0.001 . 3 . 277 . . 27 PHE HE1 . 19525 1
302 . 1 1 27 27 PHE HE2 H 1 7.064 0.001 . 3 . 278 . . 27 PHE HE2 . 19525 1
303 . 1 1 27 27 PHE HZ H 1 7.465 0.001 . 1 . 279 . . 27 PHE HZ . 19525 1
304 . 1 1 27 27 PHE C C 13 177.238 0.01 . 1 . 263 . . 27 PHE C . 19525 1
305 . 1 1 27 27 PHE CA C 13 60.745 0.071 . 1 . 264 . . 27 PHE CA . 19525 1
306 . 1 1 27 27 PHE CB C 13 40.256 0.035 . 1 . 265 . . 27 PHE CB . 19525 1
307 . 1 1 27 27 PHE CD1 C 13 131.811 0.01 . 3 . 266 . . 27 PHE CD1 . 19525 1
308 . 1 1 27 27 PHE CD2 C 13 131.754 0.01 . 3 . 267 . . 27 PHE CD2 . 19525 1
309 . 1 1 27 27 PHE CE1 C 13 131.125 0.01 . 3 . 268 . . 27 PHE CE1 . 19525 1
310 . 1 1 27 27 PHE CE2 C 13 131.125 0.01 . 3 . 269 . . 27 PHE CE2 . 19525 1
311 . 1 1 27 27 PHE CZ C 13 129.621 0.01 . 1 . 270 . . 27 PHE CZ . 19525 1
312 . 1 1 27 27 PHE N N 15 114.485 0.01 . 1 . 280 . . 27 PHE N . 19525 1
313 . 1 1 28 28 SER H H 1 8.288 0.006 . 1 . 284 . . 28 SER H . 19525 1
314 . 1 1 28 28 SER HA H 1 4.708 0.004 . 1 . 285 . . 28 SER HA . 19525 1
315 . 1 1 28 28 SER HB2 H 1 4.130 0.006 . 2 . 286 . . 28 SER HB2 . 19525 1
316 . 1 1 28 28 SER HB3 H 1 4.186 0.006 . 2 . 287 . . 28 SER HB3 . 19525 1
317 . 1 1 28 28 SER C C 13 175.620 0.01 . 1 . 281 . . 28 SER C . 19525 1
318 . 1 1 28 28 SER CA C 13 61.480 0.033 . 1 . 282 . . 28 SER CA . 19525 1
319 . 1 1 28 28 SER CB C 13 63.092 0.069 . 1 . 283 . . 28 SER CB . 19525 1
320 . 1 1 28 28 SER N N 15 117.318 0.018 . 1 . 288 . . 28 SER N . 19525 1
321 . 1 1 29 29 GLN H H 1 7.585 0.001 . 1 . 294 . . 29 GLN H . 19525 1
322 . 1 1 29 29 GLN HA H 1 4.092 0.004 . 1 . 295 . . 29 GLN HA . 19525 1
323 . 1 1 29 29 GLN HB2 H 1 1.637 0.001 . 2 . 296 . . 29 GLN HB2 . 19525 1
324 . 1 1 29 29 GLN HB3 H 1 1.678 0.002 . 2 . 297 . . 29 GLN HB3 . 19525 1
325 . 1 1 29 29 GLN HG2 H 1 0.972 0.005 . 2 . 300 . . 29 GLN HG2 . 19525 1
326 . 1 1 29 29 GLN HG3 H 1 1.684 0.005 . 2 . 301 . . 29 GLN HG3 . 19525 1
327 . 1 1 29 29 GLN HE21 H 1 7.378 0.001 . 1 . 298 . . 29 GLN HE21 . 19525 1
328 . 1 1 29 29 GLN HE22 H 1 6.851 0.002 . 1 . 299 . . 29 GLN HE22 . 19525 1
329 . 1 1 29 29 GLN C C 13 176.393 0.01 . 1 . 289 . . 29 GLN C . 19525 1
330 . 1 1 29 29 GLN CA C 13 57.265 0.052 . 1 . 290 . . 29 GLN CA . 19525 1
331 . 1 1 29 29 GLN CB C 13 28.274 0.054 . 1 . 291 . . 29 GLN CB . 19525 1
332 . 1 1 29 29 GLN CG C 13 32.636 0.024 . 1 . 293 . . 29 GLN CG . 19525 1
333 . 1 1 29 29 GLN CD C 13 180.086 0.001 . 1 . 292 . . 29 GLN CD . 19525 1
334 . 1 1 29 29 GLN N N 15 118.153 0.013 . 1 . 302 . . 29 GLN N . 19525 1
335 . 1 1 29 29 GLN NE2 N 15 113.194 0.018 . 1 . 303 . . 29 GLN NE2 . 19525 1
336 . 1 1 30 30 PHE H H 1 7.683 0.006 . 1 . 309 . . 30 PHE H . 19525 1
337 . 1 1 30 30 PHE HA H 1 4.451 0.006 . 1 . 310 . . 30 PHE HA . 19525 1
338 . 1 1 30 30 PHE HB2 H 1 2.925 0.007 . 2 . 311 . . 30 PHE HB2 . 19525 1
339 . 1 1 30 30 PHE HB3 H 1 3.406 0.005 . 2 . 312 . . 30 PHE HB3 . 19525 1
340 . 1 1 30 30 PHE HD1 H 1 7.501 0.001 . 3 . 313 . . 30 PHE HD1 . 19525 1
341 . 1 1 30 30 PHE HD2 H 1 7.501 0.001 . 3 . 314 . . 30 PHE HD2 . 19525 1
342 . 1 1 30 30 PHE C C 13 174.773 0.01 . 1 . 304 . . 30 PHE C . 19525 1
343 . 1 1 30 30 PHE CA C 13 59.526 0.057 . 1 . 305 . . 30 PHE CA . 19525 1
344 . 1 1 30 30 PHE CB C 13 39.575 0.058 . 1 . 306 . . 30 PHE CB . 19525 1
345 . 1 1 30 30 PHE CD1 C 13 131.737 0.01 . 3 . 307 . . 30 PHE CD1 . 19525 1
346 . 1 1 30 30 PHE CD2 C 13 131.735 0.01 . 3 . 308 . . 30 PHE CD2 . 19525 1
347 . 1 1 30 30 PHE N N 15 116.522 0.017 . 1 . 315 . . 30 PHE N . 19525 1
348 . 1 1 31 31 GLY H H 1 7.458 0.005 . 1 . 318 . . 31 GLY H . 19525 1
349 . 1 1 31 31 GLY HA2 H 1 4.435 0.004 . 2 . 319 . . 31 GLY HA2 . 19525 1
350 . 1 1 31 31 GLY HA3 H 1 3.959 0.007 . 2 . 320 . . 31 GLY HA3 . 19525 1
351 . 1 1 31 31 GLY C C 13 170.618 0.01 . 1 . 316 . . 31 GLY C . 19525 1
352 . 1 1 31 31 GLY CA C 13 44.592 0.032 . 1 . 317 . . 31 GLY CA . 19525 1
353 . 1 1 31 31 GLY N N 15 105.157 0.009 . 1 . 321 . . 31 GLY N . 19525 1
354 . 1 1 32 32 GLU H H 1 8.186 0.005 . 1 . 326 . . 32 GLU H . 19525 1
355 . 1 1 32 32 GLU HA H 1 4.227 0.007 . 1 . 327 . . 32 GLU HA . 19525 1
356 . 1 1 32 32 GLU HB2 H 1 1.919 0.007 . 2 . 328 . . 32 GLU HB2 . 19525 1
357 . 1 1 32 32 GLU HB3 H 1 2.053 0.001 . 2 . 329 . . 32 GLU HB3 . 19525 1
358 . 1 1 32 32 GLU HG2 H 1 2.376 0.007 . 2 . 330 . . 32 GLU HG2 . 19525 1
359 . 1 1 32 32 GLU HG3 H 1 2.377 0.007 . 2 . 331 . . 32 GLU HG3 . 19525 1
360 . 1 1 32 32 GLU C C 13 176.583 0.01 . 1 . 322 . . 32 GLU C . 19525 1
361 . 1 1 32 32 GLU CA C 13 57.535 0.052 . 1 . 323 . . 32 GLU CA . 19525 1
362 . 1 1 32 32 GLU CB C 13 30.373 0.079 . 1 . 324 . . 32 GLU CB . 19525 1
363 . 1 1 32 32 GLU CG C 13 36.281 0.058 . 1 . 325 . . 32 GLU CG . 19525 1
364 . 1 1 32 32 GLU N N 15 117.248 0.005 . 1 . 332 . . 32 GLU N . 19525 1
365 . 1 1 33 33 ILE H H 1 8.641 0.002 . 1 . 339 . . 33 ILE H . 19525 1
366 . 1 1 33 33 ILE HA H 1 4.239 0.005 . 1 . 340 . . 33 ILE HA . 19525 1
367 . 1 1 33 33 ILE HB H 1 1.766 0.004 . 1 . 341 . . 33 ILE HB . 19525 1
368 . 1 1 33 33 ILE HG12 H 1 1.541 0.006 . 2 . 343 . . 33 ILE HG12 . 19525 1
369 . 1 1 33 33 ILE HG13 H 1 0.912 0.007 . 2 . 344 . . 33 ILE HG13 . 19525 1
370 . 1 1 33 33 ILE HG21 H 1 0.552 0.002 . 1 . 345 . . 33 ILE HG21 . 19525 1
371 . 1 1 33 33 ILE HG22 H 1 0.552 0.002 . 1 . 345 . . 33 ILE HG22 . 19525 1
372 . 1 1 33 33 ILE HG23 H 1 0.552 0.002 . 1 . 345 . . 33 ILE HG23 . 19525 1
373 . 1 1 33 33 ILE HD11 H 1 0.568 0.005 . 1 . 342 . . 33 ILE HD11 . 19525 1
374 . 1 1 33 33 ILE HD12 H 1 0.568 0.005 . 1 . 342 . . 33 ILE HD12 . 19525 1
375 . 1 1 33 33 ILE HD13 H 1 0.568 0.005 . 1 . 342 . . 33 ILE HD13 . 19525 1
376 . 1 1 33 33 ILE C C 13 176.897 0.01 . 1 . 333 . . 33 ILE C . 19525 1
377 . 1 1 33 33 ILE CA C 13 59.581 0.068 . 1 . 334 . . 33 ILE CA . 19525 1
378 . 1 1 33 33 ILE CB C 13 39.093 0.057 . 1 . 335 . . 33 ILE CB . 19525 1
379 . 1 1 33 33 ILE CG1 C 13 27.008 0.076 . 1 . 337 . . 33 ILE CG1 . 19525 1
380 . 1 1 33 33 ILE CG2 C 13 17.847 0.07 . 1 . 338 . . 33 ILE CG2 . 19525 1
381 . 1 1 33 33 ILE CD1 C 13 13.448 0.045 . 1 . 336 . . 33 ILE CD1 . 19525 1
382 . 1 1 33 33 ILE N N 15 125.997 0.025 . 1 . 346 . . 33 ILE N . 19525 1
383 . 1 1 34 34 LEU H H 1 8.916 0.005 . 1 . 353 . . 34 LEU H . 19525 1
384 . 1 1 34 34 LEU HA H 1 4.366 0.003 . 1 . 354 . . 34 LEU HA . 19525 1
385 . 1 1 34 34 LEU HB2 H 1 1.336 0.007 . 2 . 355 . . 34 LEU HB2 . 19525 1
386 . 1 1 34 34 LEU HB3 H 1 1.512 0.005 . 2 . 356 . . 34 LEU HB3 . 19525 1
387 . 1 1 34 34 LEU HG H 1 1.410 0.003 . 1 . 359 . . 34 LEU HG . 19525 1
388 . 1 1 34 34 LEU HD11 H 1 0.919 0.005 . 2 . 357 . . 34 LEU HD11 . 19525 1
389 . 1 1 34 34 LEU HD12 H 1 0.919 0.005 . 2 . 357 . . 34 LEU HD12 . 19525 1
390 . 1 1 34 34 LEU HD13 H 1 0.919 0.005 . 2 . 357 . . 34 LEU HD13 . 19525 1
391 . 1 1 34 34 LEU HD21 H 1 0.864 0.004 . 2 . 358 . . 34 LEU HD21 . 19525 1
392 . 1 1 34 34 LEU HD22 H 1 0.864 0.004 . 2 . 358 . . 34 LEU HD22 . 19525 1
393 . 1 1 34 34 LEU HD23 H 1 0.864 0.004 . 2 . 358 . . 34 LEU HD23 . 19525 1
394 . 1 1 34 34 LEU C C 13 176.848 0.01 . 1 . 347 . . 34 LEU C . 19525 1
395 . 1 1 34 34 LEU CA C 13 55.556 0.069 . 1 . 348 . . 34 LEU CA . 19525 1
396 . 1 1 34 34 LEU CB C 13 42.702 0.061 . 1 . 349 . . 34 LEU CB . 19525 1
397 . 1 1 34 34 LEU CG C 13 27.255 0.079 . 1 . 352 . . 34 LEU CG . 19525 1
398 . 1 1 34 34 LEU CD1 C 13 22.908 0.068 . 2 . 350 . . 34 LEU CD1 . 19525 1
399 . 1 1 34 34 LEU CD2 C 13 25.585 0.093 . 2 . 351 . . 34 LEU CD2 . 19525 1
400 . 1 1 34 34 LEU N N 15 126.303 0.019 . 1 . 360 . . 34 LEU N . 19525 1
401 . 1 1 35 35 ASP H H 1 7.385 0.006 . 1 . 364 . . 35 ASP H . 19525 1
402 . 1 1 35 35 ASP HA H 1 4.712 0.004 . 1 . 365 . . 35 ASP HA . 19525 1
403 . 1 1 35 35 ASP HB2 H 1 2.393 0.004 . 2 . 366 . . 35 ASP HB2 . 19525 1
404 . 1 1 35 35 ASP HB3 H 1 2.659 0.006 . 2 . 367 . . 35 ASP HB3 . 19525 1
405 . 1 1 35 35 ASP C C 13 173.520 0.01 . 1 . 361 . . 35 ASP C . 19525 1
406 . 1 1 35 35 ASP CA C 13 53.945 0.059 . 1 . 362 . . 35 ASP CA . 19525 1
407 . 1 1 35 35 ASP CB C 13 44.038 0.037 . 1 . 363 . . 35 ASP CB . 19525 1
408 . 1 1 35 35 ASP N N 15 115.725 0.008 . 1 . 368 . . 35 ASP N . 19525 1
409 . 1 1 36 36 SER H H 1 8.066 0.004 . 1 . 372 . . 36 SER H . 19525 1
410 . 1 1 36 36 SER HA H 1 4.885 0.001 . 1 . 373 . . 36 SER HA . 19525 1
411 . 1 1 36 36 SER HB2 H 1 3.529 0.001 . 2 . 374 . . 36 SER HB2 . 19525 1
412 . 1 1 36 36 SER HB3 H 1 3.605 0.002 . 2 . 375 . . 36 SER HB3 . 19525 1
413 . 1 1 36 36 SER C C 13 172.724 0.01 . 1 . 369 . . 36 SER C . 19525 1
414 . 1 1 36 36 SER CA C 13 57.233 0.019 . 1 . 370 . . 36 SER CA . 19525 1
415 . 1 1 36 36 SER CB C 13 64.548 0.011 . 1 . 371 . . 36 SER CB . 19525 1
416 . 1 1 36 36 SER N N 15 117.009 0.012 . 1 . 376 . . 36 SER N . 19525 1
417 . 1 1 37 37 LYS H H 1 8.402 0.006 . 1 . 383 . . 37 LYS H . 19525 1
418 . 1 1 37 37 LYS HA H 1 4.701 0.007 . 1 . 384 . . 37 LYS HA . 19525 1
419 . 1 1 37 37 LYS HB2 H 1 1.577 0.016 . 2 . 385 . . 37 LYS HB2 . 19525 1
420 . 1 1 37 37 LYS HB3 H 1 1.641 0.014 . 2 . 386 . . 37 LYS HB3 . 19525 1
421 . 1 1 37 37 LYS HG2 H 1 1.310 0.002 . 2 . 391 . . 37 LYS HG2 . 19525 1
422 . 1 1 37 37 LYS HG3 H 1 1.340 0.006 . 2 . 392 . . 37 LYS HG3 . 19525 1
423 . 1 1 37 37 LYS HD2 H 1 1.752 0.006 . 2 . 387 . . 37 LYS HD2 . 19525 1
424 . 1 1 37 37 LYS HD3 H 1 1.706 0.005 . 2 . 388 . . 37 LYS HD3 . 19525 1
425 . 1 1 37 37 LYS HE2 H 1 3.016 0.004 . 1 . 389 . . 37 LYS HE2 . 19525 1
426 . 1 1 37 37 LYS HE3 H 1 3.016 0.004 . 1 . 390 . . 37 LYS HE3 . 19525 1
427 . 1 1 37 37 LYS C C 13 174.221 0.01 . 1 . 377 . . 37 LYS C . 19525 1
428 . 1 1 37 37 LYS CA C 13 54.415 0.054 . 1 . 378 . . 37 LYS CA . 19525 1
429 . 1 1 37 37 LYS CB C 13 36.641 0.054 . 1 . 379 . . 37 LYS CB . 19525 1
430 . 1 1 37 37 LYS CG C 13 23.892 0.052 . 1 . 382 . . 37 LYS CG . 19525 1
431 . 1 1 37 37 LYS CD C 13 28.853 0.04 . 1 . 380 . . 37 LYS CD . 19525 1
432 . 1 1 37 37 LYS CE C 13 41.986 0.044 . 1 . 381 . . 37 LYS CE . 19525 1
433 . 1 1 37 37 LYS N N 15 123.535 0.008 . 1 . 393 . . 37 LYS N . 19525 1
434 . 1 1 38 38 ILE H H 1 8.514 0.005 . 1 . 400 . . 38 ILE H . 19525 1
435 . 1 1 38 38 ILE HA H 1 4.078 0.008 . 1 . 401 . . 38 ILE HA . 19525 1
436 . 1 1 38 38 ILE HB H 1 1.785 0.004 . 1 . 402 . . 38 ILE HB . 19525 1
437 . 1 1 38 38 ILE HG12 H 1 1.033 0.003 . 2 . 404 . . 38 ILE HG12 . 19525 1
438 . 1 1 38 38 ILE HG13 H 1 1.317 0.005 . 2 . 405 . . 38 ILE HG13 . 19525 1
439 . 1 1 38 38 ILE HG21 H 1 0.723 0.005 . 1 . 406 . . 38 ILE HG21 . 19525 1
440 . 1 1 38 38 ILE HG22 H 1 0.723 0.005 . 1 . 406 . . 38 ILE HG22 . 19525 1
441 . 1 1 38 38 ILE HG23 H 1 0.723 0.005 . 1 . 406 . . 38 ILE HG23 . 19525 1
442 . 1 1 38 38 ILE HD11 H 1 0.476 0.003 . 1 . 403 . . 38 ILE HD11 . 19525 1
443 . 1 1 38 38 ILE HD12 H 1 0.476 0.003 . 1 . 403 . . 38 ILE HD12 . 19525 1
444 . 1 1 38 38 ILE HD13 H 1 0.476 0.003 . 1 . 403 . . 38 ILE HD13 . 19525 1
445 . 1 1 38 38 ILE C C 13 176.047 0.01 . 1 . 394 . . 38 ILE C . 19525 1
446 . 1 1 38 38 ILE CA C 13 59.365 0.038 . 1 . 395 . . 38 ILE CA . 19525 1
447 . 1 1 38 38 ILE CB C 13 38.071 0.054 . 1 . 396 . . 38 ILE CB . 19525 1
448 . 1 1 38 38 ILE CG1 C 13 27.523 0.043 . 1 . 398 . . 38 ILE CG1 . 19525 1
449 . 1 1 38 38 ILE CG2 C 13 17.456 0.044 . 1 . 399 . . 38 ILE CG2 . 19525 1
450 . 1 1 38 38 ILE CD1 C 13 12.571 0.022 . 1 . 397 . . 38 ILE CD1 . 19525 1
451 . 1 1 38 38 ILE N N 15 123.485 0.029 . 1 . 407 . . 38 ILE N . 19525 1
452 . 1 1 39 39 ILE H H 1 8.332 0.005 . 1 . 414 . . 39 ILE H . 19525 1
453 . 1 1 39 39 ILE HA H 1 4.043 0.003 . 1 . 415 . . 39 ILE HA . 19525 1
454 . 1 1 39 39 ILE HB H 1 1.087 0.004 . 1 . 416 . . 39 ILE HB . 19525 1
455 . 1 1 39 39 ILE HG12 H 1 1.480 0.003 . 2 . 418 . . 39 ILE HG12 . 19525 1
456 . 1 1 39 39 ILE HG13 H 1 1.357 0.005 . 2 . 419 . . 39 ILE HG13 . 19525 1
457 . 1 1 39 39 ILE HG21 H 1 0.805 0.004 . 1 . 420 . . 39 ILE HG21 . 19525 1
458 . 1 1 39 39 ILE HG22 H 1 0.805 0.004 . 1 . 420 . . 39 ILE HG22 . 19525 1
459 . 1 1 39 39 ILE HG23 H 1 0.805 0.004 . 1 . 420 . . 39 ILE HG23 . 19525 1
460 . 1 1 39 39 ILE HD11 H 1 0.826 0.008 . 1 . 417 . . 39 ILE HD11 . 19525 1
461 . 1 1 39 39 ILE HD12 H 1 0.826 0.008 . 1 . 417 . . 39 ILE HD12 . 19525 1
462 . 1 1 39 39 ILE HD13 H 1 0.826 0.008 . 1 . 417 . . 39 ILE HD13 . 19525 1
463 . 1 1 39 39 ILE C C 13 173.993 0.01 . 1 . 408 . . 39 ILE C . 19525 1
464 . 1 1 39 39 ILE CA C 13 58.826 0.059 . 1 . 409 . . 39 ILE CA . 19525 1
465 . 1 1 39 39 ILE CB C 13 34.370 0.049 . 1 . 410 . . 39 ILE CB . 19525 1
466 . 1 1 39 39 ILE CG1 C 13 27.332 0.034 . 1 . 412 . . 39 ILE CG1 . 19525 1
467 . 1 1 39 39 ILE CG2 C 13 17.814 0.059 . 1 . 413 . . 39 ILE CG2 . 19525 1
468 . 1 1 39 39 ILE CD1 C 13 9.164 0.049 . 1 . 411 . . 39 ILE CD1 . 19525 1
469 . 1 1 39 39 ILE N N 15 127.310 0.02 . 1 . 421 . . 39 ILE N . 19525 1
470 . 1 1 40 40 ASN H H 1 8.292 0.003 . 1 . 426 . . 40 ASN H . 19525 1
471 . 1 1 40 40 ASN HA H 1 5.126 0.004 . 1 . 427 . . 40 ASN HA . 19525 1
472 . 1 1 40 40 ASN HB2 H 1 2.193 0.005 . 2 . 428 . . 40 ASN HB2 . 19525 1
473 . 1 1 40 40 ASN HB3 H 1 2.413 0.007 . 2 . 429 . . 40 ASN HB3 . 19525 1
474 . 1 1 40 40 ASN HD21 H 1 6.477 0.003 . 1 . 430 . . 40 ASN HD21 . 19525 1
475 . 1 1 40 40 ASN HD22 H 1 7.060 0.001 . 1 . 431 . . 40 ASN HD22 . 19525 1
476 . 1 1 40 40 ASN C C 13 175.622 0.01 . 1 . 422 . . 40 ASN C . 19525 1
477 . 1 1 40 40 ASN CA C 13 51.458 0.031 . 1 . 423 . . 40 ASN CA . 19525 1
478 . 1 1 40 40 ASN CB C 13 40.995 0.033 . 1 . 424 . . 40 ASN CB . 19525 1
479 . 1 1 40 40 ASN CG C 13 174.704 0.003 . 1 . 425 . . 40 ASN CG . 19525 1
480 . 1 1 40 40 ASN N N 15 124.118 0.011 . 1 . 432 . . 40 ASN N . 19525 1
481 . 1 1 40 40 ASN ND2 N 15 110.346 0.031 . 1 . 433 . . 40 ASN ND2 . 19525 1
482 . 1 1 41 41 ASP H H 1 8.906 0.004 . 1 . 437 . . 41 ASP H . 19525 1
483 . 1 1 41 41 ASP HA H 1 4.513 0.005 . 1 . 438 . . 41 ASP HA . 19525 1
484 . 1 1 41 41 ASP HB2 H 1 2.523 0.003 . 2 . 439 . . 41 ASP HB2 . 19525 1
485 . 1 1 41 41 ASP HB3 H 1 3.012 0.005 . 2 . 440 . . 41 ASP HB3 . 19525 1
486 . 1 1 41 41 ASP C C 13 177.461 0.01 . 1 . 434 . . 41 ASP C . 19525 1
487 . 1 1 41 41 ASP CA C 13 54.139 0.048 . 1 . 435 . . 41 ASP CA . 19525 1
488 . 1 1 41 41 ASP CB C 13 42.875 0.023 . 1 . 436 . . 41 ASP CB . 19525 1
489 . 1 1 41 41 ASP N N 15 122.643 0.028 . 1 . 441 . . 41 ASP N . 19525 1
490 . 1 1 42 42 ARG H H 1 9.006 0.001 . 1 . 447 . . 42 ARG H . 19525 1
491 . 1 1 42 42 ARG HA H 1 4.048 0.005 . 1 . 448 . . 42 ARG HA . 19525 1
492 . 1 1 42 42 ARG HB2 H 1 1.923 0.002 . 1 . 449 . . 42 ARG HB2 . 19525 1
493 . 1 1 42 42 ARG HB3 H 1 1.923 0.002 . 1 . 450 . . 42 ARG HB3 . 19525 1
494 . 1 1 42 42 ARG HG2 H 1 1.716 0.006 . 1 . 453 . . 42 ARG HG2 . 19525 1
495 . 1 1 42 42 ARG HG3 H 1 1.716 0.006 . 1 . 454 . . 42 ARG HG3 . 19525 1
496 . 1 1 42 42 ARG HD2 H 1 3.252 0.004 . 1 . 451 . . 42 ARG HD2 . 19525 1
497 . 1 1 42 42 ARG HD3 H 1 3.252 0.004 . 1 . 452 . . 42 ARG HD3 . 19525 1
498 . 1 1 42 42 ARG C C 13 177.426 0.01 . 1 . 442 . . 42 ARG C . 19525 1
499 . 1 1 42 42 ARG CA C 13 58.669 0.054 . 1 . 443 . . 42 ARG CA . 19525 1
500 . 1 1 42 42 ARG CB C 13 30.217 0.055 . 1 . 444 . . 42 ARG CB . 19525 1
501 . 1 1 42 42 ARG CG C 13 27.189 0.049 . 1 . 446 . . 42 ARG CG . 19525 1
502 . 1 1 42 42 ARG CD C 13 43.270 0.028 . 1 . 445 . . 42 ARG CD . 19525 1
503 . 1 1 42 42 ARG N N 15 127.644 0.02 . 1 . 455 . . 42 ARG N . 19525 1
504 . 1 1 43 43 GLU H H 1 8.599 0.004 . 1 . 460 . . 43 GLU H . 19525 1
505 . 1 1 43 43 GLU HA H 1 4.275 0.003 . 1 . 461 . . 43 GLU HA . 19525 1
506 . 1 1 43 43 GLU HB2 H 1 2.155 0.002 . 2 . 462 . . 43 GLU HB2 . 19525 1
507 . 1 1 43 43 GLU HB3 H 1 2.123 0.001 . 2 . 463 . . 43 GLU HB3 . 19525 1
508 . 1 1 43 43 GLU HG2 H 1 2.318 0.006 . 2 . 464 . . 43 GLU HG2 . 19525 1
509 . 1 1 43 43 GLU HG3 H 1 2.242 0.005 . 2 . 465 . . 43 GLU HG3 . 19525 1
510 . 1 1 43 43 GLU C C 13 178.375 0.01 . 1 . 456 . . 43 GLU C . 19525 1
511 . 1 1 43 43 GLU CA C 13 58.507 0.046 . 1 . 457 . . 43 GLU CA . 19525 1
512 . 1 1 43 43 GLU CB C 13 30.230 0.034 . 1 . 458 . . 43 GLU CB . 19525 1
513 . 1 1 43 43 GLU CG C 13 36.650 0.063 . 1 . 459 . . 43 GLU CG . 19525 1
514 . 1 1 43 43 GLU N N 15 117.753 0.003 . 1 . 466 . . 43 GLU N . 19525 1
515 . 1 1 44 44 THR H H 1 8.140 0.004 . 1 . 471 . . 44 THR H . 19525 1
516 . 1 1 44 44 THR HA H 1 4.396 0.008 . 1 . 472 . . 44 THR HA . 19525 1
517 . 1 1 44 44 THR HB H 1 4.304 0.004 . 1 . 473 . . 44 THR HB . 19525 1
518 . 1 1 44 44 THR HG21 H 1 1.213 0.004 . 1 . 474 . . 44 THR HG21 . 19525 1
519 . 1 1 44 44 THR HG22 H 1 1.213 0.004 . 1 . 474 . . 44 THR HG22 . 19525 1
520 . 1 1 44 44 THR HG23 H 1 1.213 0.004 . 1 . 474 . . 44 THR HG23 . 19525 1
521 . 1 1 44 44 THR C C 13 176.672 0.01 . 1 . 467 . . 44 THR C . 19525 1
522 . 1 1 44 44 THR CA C 13 61.862 0.056 . 1 . 468 . . 44 THR CA . 19525 1
523 . 1 1 44 44 THR CB C 13 71.054 0.034 . 1 . 469 . . 44 THR CB . 19525 1
524 . 1 1 44 44 THR CG2 C 13 21.180 0.05 . 1 . 470 . . 44 THR CG2 . 19525 1
525 . 1 1 44 44 THR N N 15 107.088 0.008 . 1 . 475 . . 44 THR N . 19525 1
526 . 1 1 45 45 GLY H H 1 8.253 0.005 . 1 . 478 . . 45 GLY H . 19525 1
527 . 1 1 45 45 GLY HA2 H 1 4.151 0.001 . 2 . 479 . . 45 GLY HA2 . 19525 1
528 . 1 1 45 45 GLY HA3 H 1 3.777 0.001 . 2 . 480 . . 45 GLY HA3 . 19525 1
529 . 1 1 45 45 GLY C C 13 173.625 0.01 . 1 . 476 . . 45 GLY C . 19525 1
530 . 1 1 45 45 GLY CA C 13 45.760 0.039 . 1 . 477 . . 45 GLY CA . 19525 1
531 . 1 1 45 45 GLY N N 15 111.038 0.008 . 1 . 481 . . 45 GLY N . 19525 1
532 . 1 1 46 46 ARG H H 1 7.720 0.005 . 1 . 487 . . 46 ARG H . 19525 1
533 . 1 1 46 46 ARG HA H 1 4.310 0.005 . 1 . 488 . . 46 ARG HA . 19525 1
534 . 1 1 46 46 ARG HB2 H 1 1.619 0.005 . 2 . 489 . . 46 ARG HB2 . 19525 1
535 . 1 1 46 46 ARG HB3 H 1 1.780 0.006 . 2 . 490 . . 46 ARG HB3 . 19525 1
536 . 1 1 46 46 ARG HG2 H 1 1.575 0.002 . 1 . 493 . . 46 ARG HG2 . 19525 1
537 . 1 1 46 46 ARG HG3 H 1 1.575 0.002 . 1 . 494 . . 46 ARG HG3 . 19525 1
538 . 1 1 46 46 ARG HD2 H 1 2.990 0.004 . 1 . 491 . . 46 ARG HD2 . 19525 1
539 . 1 1 46 46 ARG HD3 H 1 2.990 0.004 . 1 . 492 . . 46 ARG HD3 . 19525 1
540 . 1 1 46 46 ARG C C 13 175.931 0.01 . 1 . 482 . . 46 ARG C . 19525 1
541 . 1 1 46 46 ARG CA C 13 55.502 0.055 . 1 . 483 . . 46 ARG CA . 19525 1
542 . 1 1 46 46 ARG CB C 13 31.836 0.071 . 1 . 484 . . 46 ARG CB . 19525 1
543 . 1 1 46 46 ARG CG C 13 27.312 0.064 . 1 . 486 . . 46 ARG CG . 19525 1
544 . 1 1 46 46 ARG CD C 13 43.267 0.042 . 1 . 485 . . 46 ARG CD . 19525 1
545 . 1 1 46 46 ARG N N 15 119.437 0.014 . 1 . 495 . . 46 ARG N . 19525 1
546 . 1 1 47 47 SER H H 1 8.528 0.003 . 1 . 499 . . 47 SER H . 19525 1
547 . 1 1 47 47 SER HA H 1 4.572 0.004 . 1 . 500 . . 47 SER HA . 19525 1
548 . 1 1 47 47 SER HB2 H 1 3.868 0.005 . 2 . 501 . . 47 SER HB2 . 19525 1
549 . 1 1 47 47 SER HB3 H 1 4.159 0.005 . 2 . 502 . . 47 SER HB3 . 19525 1
550 . 1 1 47 47 SER C C 13 177.040 0.01 . 1 . 496 . . 47 SER C . 19525 1
551 . 1 1 47 47 SER CA C 13 58.399 0.08 . 1 . 497 . . 47 SER CA . 19525 1
552 . 1 1 47 47 SER CB C 13 64.626 0.034 . 1 . 498 . . 47 SER CB . 19525 1
553 . 1 1 47 47 SER N N 15 116.716 0.018 . 1 . 503 . . 47 SER N . 19525 1
554 . 1 1 48 48 ARG H H 1 9.233 0.003 . 1 . 509 . . 48 ARG H . 19525 1
555 . 1 1 48 48 ARG HA H 1 4.465 0.009 . 1 . 510 . . 48 ARG HA . 19525 1
556 . 1 1 48 48 ARG HB2 H 1 1.253 0.012 . 2 . 511 . . 48 ARG HB2 . 19525 1
557 . 1 1 48 48 ARG HB3 H 1 2.237 0.01 . 2 . 512 . . 48 ARG HB3 . 19525 1
558 . 1 1 48 48 ARG HG2 H 1 1.665 0.006 . 1 . 515 . . 48 ARG HG2 . 19525 1
559 . 1 1 48 48 ARG HG3 H 1 1.665 0.006 . 1 . 516 . . 48 ARG HG3 . 19525 1
560 . 1 1 48 48 ARG HD2 H 1 3.064 0.011 . 2 . 513 . . 48 ARG HD2 . 19525 1
561 . 1 1 48 48 ARG HD3 H 1 3.248 0.008 . 2 . 514 . . 48 ARG HD3 . 19525 1
562 . 1 1 48 48 ARG C C 13 177.659 0.01 . 1 . 504 . . 48 ARG C . 19525 1
563 . 1 1 48 48 ARG CA C 13 56.458 0.037 . 1 . 505 . . 48 ARG CA . 19525 1
564 . 1 1 48 48 ARG CB C 13 30.727 0.092 . 1 . 506 . . 48 ARG CB . 19525 1
565 . 1 1 48 48 ARG CG C 13 27.881 0.053 . 1 . 508 . . 48 ARG CG . 19525 1
566 . 1 1 48 48 ARG CD C 13 43.625 0.045 . 1 . 507 . . 48 ARG CD . 19525 1
567 . 1 1 48 48 ARG N N 15 124.042 0.031 . 1 . 517 . . 48 ARG N . 19525 1
568 . 1 1 49 49 GLY H H 1 9.363 0.003 . 1 . 520 . . 49 GLY H . 19525 1
569 . 1 1 49 49 GLY HA2 H 1 3.379 0.003 . 2 . 521 . . 49 GLY HA2 . 19525 1
570 . 1 1 49 49 GLY HA3 H 1 4.174 0.004 . 2 . 522 . . 49 GLY HA3 . 19525 1
571 . 1 1 49 49 GLY C C 13 172.006 0.01 . 1 . 518 . . 49 GLY C . 19525 1
572 . 1 1 49 49 GLY CA C 13 45.864 0.03 . 1 . 519 . . 49 GLY CA . 19525 1
573 . 1 1 49 49 GLY N N 15 107.937 0.019 . 1 . 523 . . 49 GLY N . 19525 1
574 . 1 1 50 50 PHE H H 1 7.175 0.007 . 1 . 531 . . 50 PHE H . 19525 1
575 . 1 1 50 50 PHE HA H 1 5.294 0.004 . 1 . 532 . . 50 PHE HA . 19525 1
576 . 1 1 50 50 PHE HB2 H 1 2.949 0.004 . 2 . 533 . . 50 PHE HB2 . 19525 1
577 . 1 1 50 50 PHE HB3 H 1 3.205 0.005 . 2 . 534 . . 50 PHE HB3 . 19525 1
578 . 1 1 50 50 PHE HD1 H 1 6.893 0.001 . 3 . 535 . . 50 PHE HD1 . 19525 1
579 . 1 1 50 50 PHE HD2 H 1 6.893 0.001 . 3 . 536 . . 50 PHE HD2 . 19525 1
580 . 1 1 50 50 PHE HE1 H 1 7.381 0.001 . 3 . 537 . . 50 PHE HE1 . 19525 1
581 . 1 1 50 50 PHE HE2 H 1 7.382 0.001 . 3 . 538 . . 50 PHE HE2 . 19525 1
582 . 1 1 50 50 PHE C C 13 172.407 0.01 . 1 . 524 . . 50 PHE C . 19525 1
583 . 1 1 50 50 PHE CA C 13 54.864 0.042 . 1 . 525 . . 50 PHE CA . 19525 1
584 . 1 1 50 50 PHE CB C 13 41.711 0.043 . 1 . 526 . . 50 PHE CB . 19525 1
585 . 1 1 50 50 PHE CD1 C 13 132.874 0.01 . 3 . 527 . . 50 PHE CD1 . 19525 1
586 . 1 1 50 50 PHE CD2 C 13 132.874 0.01 . 3 . 528 . . 50 PHE CD2 . 19525 1
587 . 1 1 50 50 PHE CE1 C 13 131.752 0.01 . 3 . 529 . . 50 PHE CE1 . 19525 1
588 . 1 1 50 50 PHE CE2 C 13 131.752 0.01 . 3 . 530 . . 50 PHE CE2 . 19525 1
589 . 1 1 50 50 PHE N N 15 113.110 0.024 . 1 . 539 . . 50 PHE N . 19525 1
590 . 1 1 51 51 GLY H H 1 8.858 0.006 . 1 . 542 . . 51 GLY H . 19525 1
591 . 1 1 51 51 GLY HA2 H 1 4.167 0.002 . 2 . 543 . . 51 GLY HA2 . 19525 1
592 . 1 1 51 51 GLY HA3 H 1 3.875 0.002 . 2 . 544 . . 51 GLY HA3 . 19525 1
593 . 1 1 51 51 GLY C C 13 169.877 0.01 . 1 . 540 . . 51 GLY C . 19525 1
594 . 1 1 51 51 GLY CA C 13 45.533 0.032 . 1 . 541 . . 51 GLY CA . 19525 1
595 . 1 1 51 51 GLY N N 15 106.174 0.018 . 1 . 545 . . 51 GLY N . 19525 1
596 . 1 1 52 52 PHE H H 1 8.684 0.006 . 1 . 551 . . 52 PHE H . 19525 1
597 . 1 1 52 52 PHE HA H 1 5.759 0.004 . 1 . 552 . . 52 PHE HA . 19525 1
598 . 1 1 52 52 PHE HB2 H 1 2.634 0.003 . 2 . 553 . . 52 PHE HB2 . 19525 1
599 . 1 1 52 52 PHE HB3 H 1 2.819 0.005 . 2 . 554 . . 52 PHE HB3 . 19525 1
600 . 1 1 52 52 PHE HD1 H 1 7.060 0.001 . 3 . 555 . . 52 PHE HD1 . 19525 1
601 . 1 1 52 52 PHE HD2 H 1 7.060 0.001 . 3 . 556 . . 52 PHE HD2 . 19525 1
602 . 1 1 52 52 PHE C C 13 175.340 0.01 . 1 . 546 . . 52 PHE C . 19525 1
603 . 1 1 52 52 PHE CA C 13 56.124 0.037 . 1 . 547 . . 52 PHE CA . 19525 1
604 . 1 1 52 52 PHE CB C 13 44.454 0.031 . 1 . 548 . . 52 PHE CB . 19525 1
605 . 1 1 52 52 PHE CD1 C 13 131.791 0.01 . 3 . 549 . . 52 PHE CD1 . 19525 1
606 . 1 1 52 52 PHE CD2 C 13 131.800 0.01 . 3 . 550 . . 52 PHE CD2 . 19525 1
607 . 1 1 52 52 PHE N N 15 113.588 0.017 . 1 . 557 . . 52 PHE N . 19525 1
608 . 1 1 53 53 VAL H H 1 8.445 0.005 . 1 . 563 . . 53 VAL H . 19525 1
609 . 1 1 53 53 VAL HA H 1 4.375 0.005 . 1 . 564 . . 53 VAL HA . 19525 1
610 . 1 1 53 53 VAL HB H 1 1.242 0.003 . 1 . 565 . . 53 VAL HB . 19525 1
611 . 1 1 53 53 VAL HG11 H 1 0.238 0.003 . 2 . 566 . . 53 VAL HG11 . 19525 1
612 . 1 1 53 53 VAL HG12 H 1 0.238 0.003 . 2 . 566 . . 53 VAL HG12 . 19525 1
613 . 1 1 53 53 VAL HG13 H 1 0.238 0.003 . 2 . 566 . . 53 VAL HG13 . 19525 1
614 . 1 1 53 53 VAL HG21 H 1 0.085 0.003 . 2 . 567 . . 53 VAL HG21 . 19525 1
615 . 1 1 53 53 VAL HG22 H 1 0.085 0.003 . 2 . 567 . . 53 VAL HG22 . 19525 1
616 . 1 1 53 53 VAL HG23 H 1 0.085 0.003 . 2 . 567 . . 53 VAL HG23 . 19525 1
617 . 1 1 53 53 VAL C C 13 174.177 0.01 . 1 . 558 . . 53 VAL C . 19525 1
618 . 1 1 53 53 VAL CA C 13 61.178 0.067 . 1 . 559 . . 53 VAL CA . 19525 1
619 . 1 1 53 53 VAL CB C 13 34.880 0.048 . 1 . 560 . . 53 VAL CB . 19525 1
620 . 1 1 53 53 VAL CG1 C 13 22.098 0.037 . 2 . 561 . . 53 VAL CG1 . 19525 1
621 . 1 1 53 53 VAL CG2 C 13 20.449 0.033 . 2 . 562 . . 53 VAL CG2 . 19525 1
622 . 1 1 53 53 VAL N N 15 121.034 0.015 . 1 . 568 . . 53 VAL N . 19525 1
623 . 1 1 54 54 THR H H 1 8.836 0.004 . 1 . 573 . . 54 THR H . 19525 1
624 . 1 1 54 54 THR HA H 1 4.996 0.003 . 1 . 574 . . 54 THR HA . 19525 1
625 . 1 1 54 54 THR HB H 1 3.877 0.004 . 1 . 575 . . 54 THR HB . 19525 1
626 . 1 1 54 54 THR HG21 H 1 1.210 0.005 . 1 . 576 . . 54 THR HG21 . 19525 1
627 . 1 1 54 54 THR HG22 H 1 1.210 0.005 . 1 . 576 . . 54 THR HG22 . 19525 1
628 . 1 1 54 54 THR HG23 H 1 1.210 0.005 . 1 . 576 . . 54 THR HG23 . 19525 1
629 . 1 1 54 54 THR C C 13 173.641 0.01 . 1 . 569 . . 54 THR C . 19525 1
630 . 1 1 54 54 THR CA C 13 61.663 0.035 . 1 . 570 . . 54 THR CA . 19525 1
631 . 1 1 54 54 THR CB C 13 69.398 0.059 . 1 . 571 . . 54 THR CB . 19525 1
632 . 1 1 54 54 THR CG2 C 13 22.935 0.063 . 1 . 572 . . 54 THR CG2 . 19525 1
633 . 1 1 54 54 THR N N 15 122.871 0.018 . 1 . 577 . . 54 THR N . 19525 1
634 . 1 1 55 55 PHE H H 1 9.328 0.005 . 1 . 585 . . 55 PHE H . 19525 1
635 . 1 1 55 55 PHE HA H 1 5.033 0.003 . 1 . 586 . . 55 PHE HA . 19525 1
636 . 1 1 55 55 PHE HB2 H 1 2.890 0.002 . 2 . 587 . . 55 PHE HB2 . 19525 1
637 . 1 1 55 55 PHE HB3 H 1 3.675 0.005 . 2 . 588 . . 55 PHE HB3 . 19525 1
638 . 1 1 55 55 PHE HD1 H 1 7.149 0.001 . 3 . 589 . . 55 PHE HD1 . 19525 1
639 . 1 1 55 55 PHE HD2 H 1 7.151 0.001 . 3 . 590 . . 55 PHE HD2 . 19525 1
640 . 1 1 55 55 PHE HE1 H 1 7.295 0.001 . 3 . 591 . . 55 PHE HE1 . 19525 1
641 . 1 1 55 55 PHE HE2 H 1 7.307 0.001 . 3 . 592 . . 55 PHE HE2 . 19525 1
642 . 1 1 55 55 PHE C C 13 173.872 0.01 . 1 . 578 . . 55 PHE C . 19525 1
643 . 1 1 55 55 PHE CA C 13 57.876 0.057 . 1 . 579 . . 55 PHE CA . 19525 1
644 . 1 1 55 55 PHE CB C 13 42.660 0.042 . 1 . 580 . . 55 PHE CB . 19525 1
645 . 1 1 55 55 PHE CD1 C 13 131.882 0.01 . 3 . 581 . . 55 PHE CD1 . 19525 1
646 . 1 1 55 55 PHE CD2 C 13 131.850 0.01 . 3 . 582 . . 55 PHE CD2 . 19525 1
647 . 1 1 55 55 PHE CE1 C 13 131.651 0.01 . 3 . 583 . . 55 PHE CE1 . 19525 1
648 . 1 1 55 55 PHE CE2 C 13 131.653 0.01 . 3 . 584 . . 55 PHE CE2 . 19525 1
649 . 1 1 55 55 PHE N N 15 126.352 0.011 . 1 . 593 . . 55 PHE N . 19525 1
650 . 1 1 56 56 LYS H H 1 8.481 0.005 . 1 . 600 . . 56 LYS H . 19525 1
651 . 1 1 56 56 LYS HA H 1 4.390 0.005 . 1 . 601 . . 56 LYS HA . 19525 1
652 . 1 1 56 56 LYS HB2 H 1 1.717 0.006 . 2 . 602 . . 56 LYS HB2 . 19525 1
653 . 1 1 56 56 LYS HB3 H 1 2.076 0.005 . 2 . 603 . . 56 LYS HB3 . 19525 1
654 . 1 1 56 56 LYS HG2 H 1 1.536 0.004 . 2 . 608 . . 56 LYS HG2 . 19525 1
655 . 1 1 56 56 LYS HG3 H 1 1.604 0.004 . 2 . 609 . . 56 LYS HG3 . 19525 1
656 . 1 1 56 56 LYS HD2 H 1 1.755 0.006 . 2 . 604 . . 56 LYS HD2 . 19525 1
657 . 1 1 56 56 LYS HD3 H 1 1.720 0.005 . 2 . 605 . . 56 LYS HD3 . 19525 1
658 . 1 1 56 56 LYS HE2 H 1 3.050 0.006 . 2 . 606 . . 56 LYS HE2 . 19525 1
659 . 1 1 56 56 LYS HE3 H 1 3.003 0.002 . 2 . 607 . . 56 LYS HE3 . 19525 1
660 . 1 1 56 56 LYS C C 13 175.902 0.01 . 1 . 594 . . 56 LYS C . 19525 1
661 . 1 1 56 56 LYS CA C 13 58.245 0.04 . 1 . 595 . . 56 LYS CA . 19525 1
662 . 1 1 56 56 LYS CB C 13 34.094 0.062 . 1 . 596 . . 56 LYS CB . 19525 1
663 . 1 1 56 56 LYS CG C 13 25.361 0.053 . 1 . 599 . . 56 LYS CG . 19525 1
664 . 1 1 56 56 LYS CD C 13 29.508 0.053 . 1 . 597 . . 56 LYS CD . 19525 1
665 . 1 1 56 56 LYS CE C 13 42.145 0.048 . 1 . 598 . . 56 LYS CE . 19525 1
666 . 1 1 56 56 LYS N N 15 119.454 0.03 . 1 . 610 . . 56 LYS N . 19525 1
667 . 1 1 57 57 ASP H H 1 8.222 0.002 . 1 . 614 . . 57 ASP H . 19525 1
668 . 1 1 57 57 ASP HA H 1 4.785 0.006 . 1 . 615 . . 57 ASP HA . 19525 1
669 . 1 1 57 57 ASP HB2 H 1 2.657 0.003 . 1 . 616 . . 57 ASP HB2 . 19525 1
670 . 1 1 57 57 ASP HB3 H 1 2.657 0.002 . 1 . 617 . . 57 ASP HB3 . 19525 1
671 . 1 1 57 57 ASP C C 13 174.229 0.01 . 1 . 611 . . 57 ASP C . 19525 1
672 . 1 1 57 57 ASP CA C 13 52.536 0.069 . 1 . 612 . . 57 ASP CA . 19525 1
673 . 1 1 57 57 ASP CB C 13 44.442 0.036 . 1 . 613 . . 57 ASP CB . 19525 1
674 . 1 1 57 57 ASP N N 15 115.733 0.01 . 1 . 618 . . 57 ASP N . 19525 1
675 . 1 1 58 58 GLU H H 1 7.878 0.004 . 1 . 623 . . 58 GLU H . 19525 1
676 . 1 1 58 58 GLU HA H 1 2.905 0.004 . 1 . 624 . . 58 GLU HA . 19525 1
677 . 1 1 58 58 GLU HB2 H 1 1.283 0.004 . 2 . 625 . . 58 GLU HB2 . 19525 1
678 . 1 1 58 58 GLU HB3 H 1 1.563 0.004 . 2 . 626 . . 58 GLU HB3 . 19525 1
679 . 1 1 58 58 GLU HG2 H 1 2.036 0.005 . 1 . 627 . . 58 GLU HG2 . 19525 1
680 . 1 1 58 58 GLU HG3 H 1 2.036 0.005 . 1 . 628 . . 58 GLU HG3 . 19525 1
681 . 1 1 58 58 GLU C C 13 177.646 0.01 . 1 . 619 . . 58 GLU C . 19525 1
682 . 1 1 58 58 GLU CA C 13 59.184 0.03 . 1 . 620 . . 58 GLU CA . 19525 1
683 . 1 1 58 58 GLU CB C 13 29.622 0.034 . 1 . 621 . . 58 GLU CB . 19525 1
684 . 1 1 58 58 GLU CG C 13 36.134 0.056 . 1 . 622 . . 58 GLU CG . 19525 1
685 . 1 1 58 58 GLU N N 15 123.552 0.012 . 1 . 629 . . 58 GLU N . 19525 1
686 . 1 1 59 59 LYS H H 1 8.155 0.003 . 1 . 636 . . 59 LYS H . 19525 1
687 . 1 1 59 59 LYS HA H 1 3.765 0.006 . 1 . 637 . . 59 LYS HA . 19525 1
688 . 1 1 59 59 LYS HB2 H 1 1.768 0.004 . 2 . 638 . . 59 LYS HB2 . 19525 1
689 . 1 1 59 59 LYS HB3 H 1 1.776 0.013 . 2 . 639 . . 59 LYS HB3 . 19525 1
690 . 1 1 59 59 LYS HG2 H 1 1.391 0.004 . 1 . 644 . . 59 LYS HG2 . 19525 1
691 . 1 1 59 59 LYS HG3 H 1 1.391 0.004 . 1 . 645 . . 59 LYS HG3 . 19525 1
692 . 1 1 59 59 LYS HD2 H 1 1.589 0.013 . 1 . 640 . . 59 LYS HD2 . 19525 1
693 . 1 1 59 59 LYS HD3 H 1 1.589 0.013 . 1 . 641 . . 59 LYS HD3 . 19525 1
694 . 1 1 59 59 LYS HE2 H 1 3.037 0.005 . 1 . 642 . . 59 LYS HE2 . 19525 1
695 . 1 1 59 59 LYS HE3 H 1 3.037 0.005 . 1 . 643 . . 59 LYS HE3 . 19525 1
696 . 1 1 59 59 LYS C C 13 177.470 0.01 . 1 . 630 . . 59 LYS C . 19525 1
697 . 1 1 59 59 LYS CA C 13 59.209 0.038 . 1 . 631 . . 59 LYS CA . 19525 1
698 . 1 1 59 59 LYS CB C 13 32.029 0.027 . 1 . 632 . . 59 LYS CB . 19525 1
699 . 1 1 59 59 LYS CG C 13 24.711 0.04 . 1 . 635 . . 59 LYS CG . 19525 1
700 . 1 1 59 59 LYS CD C 13 28.784 0.043 . 1 . 633 . . 59 LYS CD . 19525 1
701 . 1 1 59 59 LYS CE C 13 42.370 0.02 . 1 . 634 . . 59 LYS CE . 19525 1
702 . 1 1 59 59 LYS N N 15 118.681 0.028 . 1 . 646 . . 59 LYS N . 19525 1
703 . 1 1 60 60 ALA H H 1 7.152 0.008 . 1 . 650 . . 60 ALA H . 19525 1
704 . 1 1 60 60 ALA HA H 1 3.840 0.006 . 1 . 651 . . 60 ALA HA . 19525 1
705 . 1 1 60 60 ALA HB1 H 1 1.325 0.004 . 1 . 652 . . 60 ALA HB1 . 19525 1
706 . 1 1 60 60 ALA HB2 H 1 1.325 0.004 . 1 . 652 . . 60 ALA HB2 . 19525 1
707 . 1 1 60 60 ALA HB3 H 1 1.325 0.004 . 1 . 652 . . 60 ALA HB3 . 19525 1
708 . 1 1 60 60 ALA C C 13 177.859 0.01 . 1 . 647 . . 60 ALA C . 19525 1
709 . 1 1 60 60 ALA CA C 13 55.137 0.044 . 1 . 648 . . 60 ALA CA . 19525 1
710 . 1 1 60 60 ALA CB C 13 20.282 0.023 . 1 . 649 . . 60 ALA CB . 19525 1
711 . 1 1 60 60 ALA N N 15 120.064 0.008 . 1 . 653 . . 60 ALA N . 19525 1
712 . 1 1 61 61 MET H H 1 6.549 0.006 . 1 . 659 . . 61 MET H . 19525 1
713 . 1 1 61 61 MET HA H 1 3.032 0.003 . 1 . 660 . . 61 MET HA . 19525 1
714 . 1 1 61 61 MET HB2 H 1 1.808 0.014 . 2 . 661 . . 61 MET HB2 . 19525 1
715 . 1 1 61 61 MET HB3 H 1 2.317 0.008 . 2 . 662 . . 61 MET HB3 . 19525 1
716 . 1 1 61 61 MET HG2 H 1 2.558 0.005 . 2 . 664 . . 61 MET HG2 . 19525 1
717 . 1 1 61 61 MET HG3 H 1 2.175 0.006 . 2 . 665 . . 61 MET HG3 . 19525 1
718 . 1 1 61 61 MET HE1 H 1 2.136 0.001 . 1 . 663 . . 61 MET HE1 . 19525 1
719 . 1 1 61 61 MET HE2 H 1 2.136 0.001 . 1 . 663 . . 61 MET HE2 . 19525 1
720 . 1 1 61 61 MET HE3 H 1 2.136 0.001 . 1 . 663 . . 61 MET HE3 . 19525 1
721 . 1 1 61 61 MET C C 13 177.462 0.01 . 1 . 654 . . 61 MET C . 19525 1
722 . 1 1 61 61 MET CA C 13 58.806 0.022 . 1 . 655 . . 61 MET CA . 19525 1
723 . 1 1 61 61 MET CB C 13 32.144 0.046 . 1 . 656 . . 61 MET CB . 19525 1
724 . 1 1 61 61 MET CG C 13 31.470 0.058 . 1 . 658 . . 61 MET CG . 19525 1
725 . 1 1 61 61 MET CE C 13 16.893 0.01 . 1 . 657 . . 61 MET CE . 19525 1
726 . 1 1 61 61 MET N N 15 114.818 0.011 . 1 . 666 . . 61 MET N . 19525 1
727 . 1 1 62 62 ARG H H 1 8.267 0.004 . 1 . 672 . . 62 ARG H . 19525 1
728 . 1 1 62 62 ARG HA H 1 3.813 0.004 . 1 . 673 . . 62 ARG HA . 19525 1
729 . 1 1 62 62 ARG HB2 H 1 1.823 0.002 . 2 . 674 . . 62 ARG HB2 . 19525 1
730 . 1 1 62 62 ARG HB3 H 1 1.955 0.004 . 2 . 675 . . 62 ARG HB3 . 19525 1
731 . 1 1 62 62 ARG HG2 H 1 1.621 0.004 . 2 . 678 . . 62 ARG HG2 . 19525 1
732 . 1 1 62 62 ARG HG3 H 1 1.832 0.004 . 2 . 679 . . 62 ARG HG3 . 19525 1
733 . 1 1 62 62 ARG HD2 H 1 3.119 0.005 . 1 . 676 . . 62 ARG HD2 . 19525 1
734 . 1 1 62 62 ARG HD3 H 1 3.119 0.005 . 1 . 677 . . 62 ARG HD3 . 19525 1
735 . 1 1 62 62 ARG C C 13 179.615 0.01 . 1 . 667 . . 62 ARG C . 19525 1
736 . 1 1 62 62 ARG CA C 13 59.438 0.052 . 1 . 668 . . 62 ARG CA . 19525 1
737 . 1 1 62 62 ARG CB C 13 28.615 0.057 . 1 . 669 . . 62 ARG CB . 19525 1
738 . 1 1 62 62 ARG CG C 13 27.738 0.063 . 1 . 671 . . 62 ARG CG . 19525 1
739 . 1 1 62 62 ARG CD C 13 42.866 0.086 . 1 . 670 . . 62 ARG CD . 19525 1
740 . 1 1 62 62 ARG N N 15 117.736 0.033 . 1 . 680 . . 62 ARG N . 19525 1
741 . 1 1 63 63 ASP H H 1 8.831 0.004 . 1 . 684 . . 63 ASP H . 19525 1
742 . 1 1 63 63 ASP HA H 1 4.234 0.004 . 1 . 685 . . 63 ASP HA . 19525 1
743 . 1 1 63 63 ASP HB2 H 1 2.685 0.006 . 2 . 686 . . 63 ASP HB2 . 19525 1
744 . 1 1 63 63 ASP HB3 H 1 2.845 0.008 . 2 . 687 . . 63 ASP HB3 . 19525 1
745 . 1 1 63 63 ASP C C 13 178.720 0.01 . 1 . 681 . . 63 ASP C . 19525 1
746 . 1 1 63 63 ASP CA C 13 56.867 0.037 . 1 . 682 . . 63 ASP CA . 19525 1
747 . 1 1 63 63 ASP CB C 13 39.580 0.043 . 1 . 683 . . 63 ASP CB . 19525 1
748 . 1 1 63 63 ASP N N 15 121.418 0.022 . 1 . 688 . . 63 ASP N . 19525 1
749 . 1 1 64 64 ALA H H 1 8.060 0.005 . 1 . 692 . . 64 ALA H . 19525 1
750 . 1 1 64 64 ALA HA H 1 2.078 0.004 . 1 . 693 . . 64 ALA HA . 19525 1
751 . 1 1 64 64 ALA HB1 H 1 1.307 0.008 . 1 . 694 . . 64 ALA HB1 . 19525 1
752 . 1 1 64 64 ALA HB2 H 1 1.307 0.008 . 1 . 694 . . 64 ALA HB2 . 19525 1
753 . 1 1 64 64 ALA HB3 H 1 1.307 0.008 . 1 . 694 . . 64 ALA HB3 . 19525 1
754 . 1 1 64 64 ALA C C 13 179.159 0.01 . 1 . 689 . . 64 ALA C . 19525 1
755 . 1 1 64 64 ALA CA C 13 54.204 0.035 . 1 . 690 . . 64 ALA CA . 19525 1
756 . 1 1 64 64 ALA CB C 13 20.166 0.031 . 1 . 691 . . 64 ALA CB . 19525 1
757 . 1 1 64 64 ALA N N 15 125.406 0.024 . 1 . 695 . . 64 ALA N . 19525 1
758 . 1 1 65 65 ILE H H 1 7.954 0.004 . 1 . 702 . . 65 ILE H . 19525 1
759 . 1 1 65 65 ILE HA H 1 3.377 0.005 . 1 . 703 . . 65 ILE HA . 19525 1
760 . 1 1 65 65 ILE HB H 1 1.785 0.004 . 1 . 704 . . 65 ILE HB . 19525 1
761 . 1 1 65 65 ILE HG12 H 1 0.628 0.008 . 2 . 706 . . 65 ILE HG12 . 19525 1
762 . 1 1 65 65 ILE HG13 H 1 1.985 0.008 . 2 . 707 . . 65 ILE HG13 . 19525 1
763 . 1 1 65 65 ILE HG21 H 1 0.981 0.003 . 1 . 708 . . 65 ILE HG21 . 19525 1
764 . 1 1 65 65 ILE HG22 H 1 0.981 0.003 . 1 . 708 . . 65 ILE HG22 . 19525 1
765 . 1 1 65 65 ILE HG23 H 1 0.981 0.003 . 1 . 708 . . 65 ILE HG23 . 19525 1
766 . 1 1 65 65 ILE HD11 H 1 0.932 0.007 . 1 . 705 . . 65 ILE HD11 . 19525 1
767 . 1 1 65 65 ILE HD12 H 1 0.932 0.007 . 1 . 705 . . 65 ILE HD12 . 19525 1
768 . 1 1 65 65 ILE HD13 H 1 0.932 0.007 . 1 . 705 . . 65 ILE HD13 . 19525 1
769 . 1 1 65 65 ILE C C 13 178.032 0.01 . 1 . 696 . . 65 ILE C . 19525 1
770 . 1 1 65 65 ILE CA C 13 66.014 0.04 . 1 . 697 . . 65 ILE CA . 19525 1
771 . 1 1 65 65 ILE CB C 13 38.820 0.056 . 1 . 698 . . 65 ILE CB . 19525 1
772 . 1 1 65 65 ILE CG1 C 13 30.650 0.058 . 1 . 700 . . 65 ILE CG1 . 19525 1
773 . 1 1 65 65 ILE CG2 C 13 17.231 0.05 . 1 . 701 . . 65 ILE CG2 . 19525 1
774 . 1 1 65 65 ILE CD1 C 13 15.160 0.07 . 1 . 699 . . 65 ILE CD1 . 19525 1
775 . 1 1 65 65 ILE N N 15 118.842 0.016 . 1 . 709 . . 65 ILE N . 19525 1
776 . 1 1 66 66 GLU H H 1 7.535 0.006 . 1 . 714 . . 66 GLU H . 19525 1
777 . 1 1 66 66 GLU HA H 1 4.021 0.004 . 1 . 715 . . 66 GLU HA . 19525 1
778 . 1 1 66 66 GLU HB2 H 1 2.001 0.002 . 1 . 716 . . 66 GLU HB2 . 19525 1
779 . 1 1 66 66 GLU HB3 H 1 2.001 0.002 . 1 . 717 . . 66 GLU HB3 . 19525 1
780 . 1 1 66 66 GLU HG2 H 1 2.291 0.004 . 2 . 718 . . 66 GLU HG2 . 19525 1
781 . 1 1 66 66 GLU HG3 H 1 2.342 0.004 . 2 . 719 . . 66 GLU HG3 . 19525 1
782 . 1 1 66 66 GLU C C 13 179.342 0.01 . 1 . 710 . . 66 GLU C . 19525 1
783 . 1 1 66 66 GLU CA C 13 58.645 0.046 . 1 . 711 . . 66 GLU CA . 19525 1
784 . 1 1 66 66 GLU CB C 13 29.888 0.058 . 1 . 712 . . 66 GLU CB . 19525 1
785 . 1 1 66 66 GLU CG C 13 36.078 0.055 . 1 . 713 . . 66 GLU CG . 19525 1
786 . 1 1 66 66 GLU N N 15 116.426 0.008 . 1 . 720 . . 66 GLU N . 19525 1
787 . 1 1 67 67 GLY H H 1 8.281 0.006 . 1 . 723 . . 67 GLY H . 19525 1
788 . 1 1 67 67 GLY HA2 H 1 4.060 0.006 . 2 . 724 . . 67 GLY HA2 . 19525 1
789 . 1 1 67 67 GLY HA3 H 1 3.472 0.004 . 2 . 725 . . 67 GLY HA3 . 19525 1
790 . 1 1 67 67 GLY C C 13 174.943 0.01 . 1 . 721 . . 67 GLY C . 19525 1
791 . 1 1 67 67 GLY CA C 13 46.055 0.031 . 1 . 722 . . 67 GLY CA . 19525 1
792 . 1 1 67 67 GLY N N 15 104.513 0.016 . 1 . 726 . . 67 GLY N . 19525 1
793 . 1 1 68 68 MET H H 1 8.028 0.005 . 1 . 732 . . 68 MET H . 19525 1
794 . 1 1 68 68 MET HA H 1 4.915 0.003 . 1 . 733 . . 68 MET HA . 19525 1
795 . 1 1 68 68 MET HB2 H 1 1.818 0.003 . 2 . 734 . . 68 MET HB2 . 19525 1
796 . 1 1 68 68 MET HB3 H 1 1.962 0.006 . 2 . 735 . . 68 MET HB3 . 19525 1
797 . 1 1 68 68 MET HG2 H 1 1.627 0.002 . 2 . 737 . . 68 MET HG2 . 19525 1
798 . 1 1 68 68 MET HG3 H 1 2.069 0.002 . 2 . 738 . . 68 MET HG3 . 19525 1
799 . 1 1 68 68 MET HE1 H 1 2.105 0.001 . 1 . 736 . . 68 MET HE1 . 19525 1
800 . 1 1 68 68 MET HE2 H 1 2.105 0.001 . 1 . 736 . . 68 MET HE2 . 19525 1
801 . 1 1 68 68 MET HE3 H 1 2.105 0.001 . 1 . 736 . . 68 MET HE3 . 19525 1
802 . 1 1 68 68 MET C C 13 177.312 0.01 . 1 . 727 . . 68 MET C . 19525 1
803 . 1 1 68 68 MET CA C 13 53.414 0.043 . 1 . 728 . . 68 MET CA . 19525 1
804 . 1 1 68 68 MET CB C 13 33.565 0.051 . 1 . 729 . . 68 MET CB . 19525 1
805 . 1 1 68 68 MET CG C 13 32.966 0.075 . 1 . 731 . . 68 MET CG . 19525 1
806 . 1 1 68 68 MET CE C 13 16.940 0.01 . 1 . 730 . . 68 MET CE . 19525 1
807 . 1 1 68 68 MET N N 15 114.841 0.011 . 1 . 739 . . 68 MET N . 19525 1
808 . 1 1 69 69 ASN H H 1 7.589 0.005 . 1 . 744 . . 69 ASN H . 19525 1
809 . 1 1 69 69 ASN HA H 1 4.406 0.005 . 1 . 745 . . 69 ASN HA . 19525 1
810 . 1 1 69 69 ASN HB2 H 1 2.990 0.007 . 2 . 746 . . 69 ASN HB2 . 19525 1
811 . 1 1 69 69 ASN HB3 H 1 3.312 0.004 . 2 . 747 . . 69 ASN HB3 . 19525 1
812 . 1 1 69 69 ASN HD21 H 1 7.091 0.002 . 1 . 748 . . 69 ASN HD21 . 19525 1
813 . 1 1 69 69 ASN HD22 H 1 7.866 0.002 . 1 . 749 . . 69 ASN HD22 . 19525 1
814 . 1 1 69 69 ASN C C 13 176.819 0.01 . 1 . 740 . . 69 ASN C . 19525 1
815 . 1 1 69 69 ASN CA C 13 57.176 0.04 . 1 . 741 . . 69 ASN CA . 19525 1
816 . 1 1 69 69 ASN CB C 13 38.915 0.057 . 1 . 742 . . 69 ASN CB . 19525 1
817 . 1 1 69 69 ASN CG C 13 177.078 0.006 . 1 . 743 . . 69 ASN CG . 19525 1
818 . 1 1 69 69 ASN N N 15 116.830 0.012 . 1 . 750 . . 69 ASN N . 19525 1
819 . 1 1 69 69 ASN ND2 N 15 115.460 0.016 . 1 . 751 . . 69 ASN ND2 . 19525 1
820 . 1 1 70 70 GLY H H 1 9.147 0.004 . 1 . 754 . . 70 GLY H . 19525 1
821 . 1 1 70 70 GLY HA2 H 1 3.875 0.003 . 2 . 755 . . 70 GLY HA2 . 19525 1
822 . 1 1 70 70 GLY HA3 H 1 4.192 0.003 . 2 . 756 . . 70 GLY HA3 . 19525 1
823 . 1 1 70 70 GLY C C 13 174.410 0.01 . 1 . 752 . . 70 GLY C . 19525 1
824 . 1 1 70 70 GLY CA C 13 46.053 0.034 . 1 . 753 . . 70 GLY CA . 19525 1
825 . 1 1 70 70 GLY N N 15 117.454 0.012 . 1 . 757 . . 70 GLY N . 19525 1
826 . 1 1 71 71 GLN H H 1 7.789 0.005 . 1 . 763 . . 71 GLN H . 19525 1
827 . 1 1 71 71 GLN HA H 1 4.370 0.005 . 1 . 764 . . 71 GLN HA . 19525 1
828 . 1 1 71 71 GLN HB2 H 1 2.003 0.008 . 2 . 765 . . 71 GLN HB2 . 19525 1
829 . 1 1 71 71 GLN HB3 H 1 2.219 0.007 . 2 . 766 . . 71 GLN HB3 . 19525 1
830 . 1 1 71 71 GLN HG2 H 1 2.107 0.006 . 2 . 769 . . 71 GLN HG2 . 19525 1
831 . 1 1 71 71 GLN HG3 H 1 2.773 0.005 . 2 . 770 . . 71 GLN HG3 . 19525 1
832 . 1 1 71 71 GLN HE21 H 1 6.864 0.002 . 1 . 767 . . 71 GLN HE21 . 19525 1
833 . 1 1 71 71 GLN HE22 H 1 7.497 0.001 . 1 . 768 . . 71 GLN HE22 . 19525 1
834 . 1 1 71 71 GLN C C 13 174.211 0.01 . 1 . 758 . . 71 GLN C . 19525 1
835 . 1 1 71 71 GLN CA C 13 54.226 0.064 . 1 . 759 . . 71 GLN CA . 19525 1
836 . 1 1 71 71 GLN CB C 13 29.387 0.035 . 1 . 760 . . 71 GLN CB . 19525 1
837 . 1 1 71 71 GLN CG C 13 33.700 0.028 . 1 . 762 . . 71 GLN CG . 19525 1
838 . 1 1 71 71 GLN CD C 13 180.515 0.01 . 1 . 761 . . 71 GLN CD . 19525 1
839 . 1 1 71 71 GLN N N 15 119.319 0.015 . 1 . 771 . . 71 GLN N . 19525 1
840 . 1 1 71 71 GLN NE2 N 15 113.904 0.029 . 1 . 772 . . 71 GLN NE2 . 19525 1
841 . 1 1 72 72 ASP H H 1 8.179 0.003 . 1 . 776 . . 72 ASP H . 19525 1
842 . 1 1 72 72 ASP HA H 1 4.907 0.008 . 1 . 777 . . 72 ASP HA . 19525 1
843 . 1 1 72 72 ASP HB2 H 1 2.418 0.004 . 2 . 778 . . 72 ASP HB2 . 19525 1
844 . 1 1 72 72 ASP HB3 H 1 2.517 0.006 . 2 . 779 . . 72 ASP HB3 . 19525 1
845 . 1 1 72 72 ASP C C 13 176.476 0.01 . 1 . 773 . . 72 ASP C . 19525 1
846 . 1 1 72 72 ASP CA C 13 53.991 0.029 . 1 . 774 . . 72 ASP CA . 19525 1
847 . 1 1 72 72 ASP CB C 13 42.524 0.053 . 1 . 775 . . 72 ASP CB . 19525 1
848 . 1 1 72 72 ASP N N 15 118.980 0.018 . 1 . 780 . . 72 ASP N . 19525 1
849 . 1 1 73 73 LEU H H 1 9.089 0.004 . 1 . 787 . . 73 LEU H . 19525 1
850 . 1 1 73 73 LEU HA H 1 4.491 0.006 . 1 . 788 . . 73 LEU HA . 19525 1
851 . 1 1 73 73 LEU HB2 H 1 1.153 0.007 . 2 . 789 . . 73 LEU HB2 . 19525 1
852 . 1 1 73 73 LEU HB3 H 1 1.915 0.006 . 2 . 790 . . 73 LEU HB3 . 19525 1
853 . 1 1 73 73 LEU HG H 1 1.399 0.006 . 1 . 793 . . 73 LEU HG . 19525 1
854 . 1 1 73 73 LEU HD11 H 1 0.822 0.004 . 2 . 791 . . 73 LEU HD11 . 19525 1
855 . 1 1 73 73 LEU HD12 H 1 0.822 0.004 . 2 . 791 . . 73 LEU HD12 . 19525 1
856 . 1 1 73 73 LEU HD13 H 1 0.822 0.004 . 2 . 791 . . 73 LEU HD13 . 19525 1
857 . 1 1 73 73 LEU HD21 H 1 0.889 0.007 . 2 . 792 . . 73 LEU HD21 . 19525 1
858 . 1 1 73 73 LEU HD22 H 1 0.889 0.007 . 2 . 792 . . 73 LEU HD22 . 19525 1
859 . 1 1 73 73 LEU HD23 H 1 0.889 0.007 . 2 . 792 . . 73 LEU HD23 . 19525 1
860 . 1 1 73 73 LEU C C 13 176.402 0.01 . 1 . 781 . . 73 LEU C . 19525 1
861 . 1 1 73 73 LEU CA C 13 55.189 0.037 . 1 . 782 . . 73 LEU CA . 19525 1
862 . 1 1 73 73 LEU CB C 13 44.333 0.068 . 1 . 783 . . 73 LEU CB . 19525 1
863 . 1 1 73 73 LEU CG C 13 27.719 0.074 . 1 . 786 . . 73 LEU CG . 19525 1
864 . 1 1 73 73 LEU CD1 C 13 24.177 0.059 . 2 . 784 . . 73 LEU CD1 . 19525 1
865 . 1 1 73 73 LEU CD2 C 13 26.347 0.068 . 2 . 785 . . 73 LEU CD2 . 19525 1
866 . 1 1 73 73 LEU N N 15 127.095 0.011 . 1 . 794 . . 73 LEU N . 19525 1
867 . 1 1 74 74 ASP H H 1 9.453 0.002 . 1 . 798 . . 74 ASP H . 19525 1
868 . 1 1 74 74 ASP HA H 1 4.226 0.005 . 1 . 799 . . 74 ASP HA . 19525 1
869 . 1 1 74 74 ASP HB2 H 1 2.474 0.004 . 2 . 800 . . 74 ASP HB2 . 19525 1
870 . 1 1 74 74 ASP HB3 H 1 2.822 0.002 . 2 . 801 . . 74 ASP HB3 . 19525 1
871 . 1 1 74 74 ASP C C 13 174.949 0.01 . 1 . 795 . . 74 ASP C . 19525 1
872 . 1 1 74 74 ASP CA C 13 55.712 0.051 . 1 . 796 . . 74 ASP CA . 19525 1
873 . 1 1 74 74 ASP CB C 13 39.954 0.028 . 1 . 797 . . 74 ASP CB . 19525 1
874 . 1 1 74 74 ASP N N 15 126.275 0.013 . 1 . 802 . . 74 ASP N . 19525 1
875 . 1 1 75 75 GLY H H 1 8.494 0.006 . 1 . 805 . . 75 GLY H . 19525 1
876 . 1 1 75 75 GLY HA2 H 1 3.797 0.001 . 2 . 806 . . 75 GLY HA2 . 19525 1
877 . 1 1 75 75 GLY HA3 H 1 4.130 0.001 . 2 . 807 . . 75 GLY HA3 . 19525 1
878 . 1 1 75 75 GLY C C 13 174.654 0.01 . 1 . 803 . . 75 GLY C . 19525 1
879 . 1 1 75 75 GLY CA C 13 45.777 0.03 . 1 . 804 . . 75 GLY CA . 19525 1
880 . 1 1 75 75 GLY N N 15 103.491 0.012 . 1 . 808 . . 75 GLY N . 19525 1
881 . 1 1 76 76 ARG H H 1 7.413 0.006 . 1 . 814 . . 76 ARG H . 19525 1
882 . 1 1 76 76 ARG HA H 1 4.594 0.007 . 1 . 815 . . 76 ARG HA . 19525 1
883 . 1 1 76 76 ARG HB2 H 1 1.672 0.009 . 2 . 816 . . 76 ARG HB2 . 19525 1
884 . 1 1 76 76 ARG HB3 H 1 1.960 0.006 . 2 . 817 . . 76 ARG HB3 . 19525 1
885 . 1 1 76 76 ARG HG2 H 1 1.540 0.009 . 2 . 820 . . 76 ARG HG2 . 19525 1
886 . 1 1 76 76 ARG HG3 H 1 1.603 0.007 . 2 . 821 . . 76 ARG HG3 . 19525 1
887 . 1 1 76 76 ARG HD2 H 1 3.177 0.014 . 1 . 818 . . 76 ARG HD2 . 19525 1
888 . 1 1 76 76 ARG HD3 H 1 3.177 0.014 . 1 . 819 . . 76 ARG HD3 . 19525 1
889 . 1 1 76 76 ARG C C 13 174.877 0.01 . 1 . 809 . . 76 ARG C . 19525 1
890 . 1 1 76 76 ARG CA C 13 53.039 0.059 . 1 . 810 . . 76 ARG CA . 19525 1
891 . 1 1 76 76 ARG CB C 13 33.183 0.049 . 1 . 811 . . 76 ARG CB . 19525 1
892 . 1 1 76 76 ARG CG C 13 26.655 0.07 . 1 . 813 . . 76 ARG CG . 19525 1
893 . 1 1 76 76 ARG CD C 13 42.520 0.055 . 1 . 812 . . 76 ARG CD . 19525 1
894 . 1 1 76 76 ARG N N 15 119.227 0.007 . 1 . 822 . . 76 ARG N . 19525 1
895 . 1 1 77 77 ASN H H 1 8.481 0.002 . 1 . 827 . . 77 ASN H . 19525 1
896 . 1 1 77 77 ASN HA H 1 5.009 0.005 . 1 . 828 . . 77 ASN HA . 19525 1
897 . 1 1 77 77 ASN HB2 H 1 2.416 0.005 . 2 . 829 . . 77 ASN HB2 . 19525 1
898 . 1 1 77 77 ASN HB3 H 1 2.592 0.004 . 2 . 830 . . 77 ASN HB3 . 19525 1
899 . 1 1 77 77 ASN HD21 H 1 6.793 0.001 . 1 . 831 . . 77 ASN HD21 . 19525 1
900 . 1 1 77 77 ASN HD22 H 1 7.436 0.001 . 1 . 832 . . 77 ASN HD22 . 19525 1
901 . 1 1 77 77 ASN C C 13 175.759 0.01 . 1 . 823 . . 77 ASN C . 19525 1
902 . 1 1 77 77 ASN CA C 13 53.308 0.054 . 1 . 824 . . 77 ASN CA . 19525 1
903 . 1 1 77 77 ASN CB C 13 38.768 0.029 . 1 . 825 . . 77 ASN CB . 19525 1
904 . 1 1 77 77 ASN CG C 13 177.323 0.001 . 1 . 826 . . 77 ASN CG . 19525 1
905 . 1 1 77 77 ASN N N 15 119.625 0.055 . 1 . 833 . . 77 ASN N . 19525 1
906 . 1 1 77 77 ASN ND2 N 15 111.378 0.007 . 1 . 834 . . 77 ASN ND2 . 19525 1
907 . 1 1 78 78 ILE H H 1 8.361 0.005 . 1 . 841 . . 78 ILE H . 19525 1
908 . 1 1 78 78 ILE HA H 1 4.714 0.003 . 1 . 842 . . 78 ILE HA . 19525 1
909 . 1 1 78 78 ILE HB H 1 2.106 0.008 . 1 . 843 . . 78 ILE HB . 19525 1
910 . 1 1 78 78 ILE HG12 H 1 1.541 0.006 . 2 . 845 . . 78 ILE HG12 . 19525 1
911 . 1 1 78 78 ILE HG13 H 1 1.479 0.005 . 2 . 846 . . 78 ILE HG13 . 19525 1
912 . 1 1 78 78 ILE HG21 H 1 0.935 0.003 . 1 . 847 . . 78 ILE HG21 . 19525 1
913 . 1 1 78 78 ILE HG22 H 1 0.935 0.003 . 1 . 847 . . 78 ILE HG22 . 19525 1
914 . 1 1 78 78 ILE HG23 H 1 0.935 0.003 . 1 . 847 . . 78 ILE HG23 . 19525 1
915 . 1 1 78 78 ILE HD11 H 1 0.804 0.005 . 1 . 844 . . 78 ILE HD11 . 19525 1
916 . 1 1 78 78 ILE HD12 H 1 0.804 0.005 . 1 . 844 . . 78 ILE HD12 . 19525 1
917 . 1 1 78 78 ILE HD13 H 1 0.804 0.005 . 1 . 844 . . 78 ILE HD13 . 19525 1
918 . 1 1 78 78 ILE C C 13 175.785 0.01 . 1 . 835 . . 78 ILE C . 19525 1
919 . 1 1 78 78 ILE CA C 13 61.596 0.066 . 1 . 836 . . 78 ILE CA . 19525 1
920 . 1 1 78 78 ILE CB C 13 40.078 0.1 . 1 . 837 . . 78 ILE CB . 19525 1
921 . 1 1 78 78 ILE CG1 C 13 24.345 0.051 . 1 . 839 . . 78 ILE CG1 . 19525 1
922 . 1 1 78 78 ILE CG2 C 13 19.305 0.066 . 1 . 840 . . 78 ILE CG2 . 19525 1
923 . 1 1 78 78 ILE CD1 C 13 14.870 0.046 . 1 . 838 . . 78 ILE CD1 . 19525 1
924 . 1 1 78 78 ILE N N 15 121.591 0.018 . 1 . 848 . . 78 ILE N . 19525 1
925 . 1 1 79 79 THR H H 1 8.619 0.004 . 1 . 853 . . 79 THR H . 19525 1
926 . 1 1 79 79 THR HA H 1 4.926 0.003 . 1 . 854 . . 79 THR HA . 19525 1
927 . 1 1 79 79 THR HB H 1 3.959 0.003 . 1 . 855 . . 79 THR HB . 19525 1
928 . 1 1 79 79 THR HG21 H 1 1.280 0.004 . 1 . 856 . . 79 THR HG21 . 19525 1
929 . 1 1 79 79 THR HG22 H 1 1.280 0.004 . 1 . 856 . . 79 THR HG22 . 19525 1
930 . 1 1 79 79 THR HG23 H 1 1.280 0.004 . 1 . 856 . . 79 THR HG23 . 19525 1
931 . 1 1 79 79 THR C C 13 173.554 0.01 . 1 . 849 . . 79 THR C . 19525 1
932 . 1 1 79 79 THR CA C 13 60.724 0.051 . 1 . 850 . . 79 THR CA . 19525 1
933 . 1 1 79 79 THR CB C 13 71.262 0.033 . 1 . 851 . . 79 THR CB . 19525 1
934 . 1 1 79 79 THR CG2 C 13 21.243 0.025 . 1 . 852 . . 79 THR CG2 . 19525 1
935 . 1 1 79 79 THR N N 15 116.952 0.023 . 1 . 857 . . 79 THR N . 19525 1
936 . 1 1 80 80 VAL H H 1 8.805 0.005 . 1 . 863 . . 80 VAL H . 19525 1
937 . 1 1 80 80 VAL HA H 1 5.393 0.002 . 1 . 864 . . 80 VAL HA . 19525 1
938 . 1 1 80 80 VAL HB H 1 1.957 0.004 . 1 . 865 . . 80 VAL HB . 19525 1
939 . 1 1 80 80 VAL HG11 H 1 1.095 0.001 . 2 . 866 . . 80 VAL HG11 . 19525 1
940 . 1 1 80 80 VAL HG12 H 1 1.095 0.001 . 2 . 866 . . 80 VAL HG12 . 19525 1
941 . 1 1 80 80 VAL HG13 H 1 1.095 0.001 . 2 . 866 . . 80 VAL HG13 . 19525 1
942 . 1 1 80 80 VAL HG21 H 1 1.103 0.004 . 2 . 867 . . 80 VAL HG21 . 19525 1
943 . 1 1 80 80 VAL HG22 H 1 1.103 0.004 . 2 . 867 . . 80 VAL HG22 . 19525 1
944 . 1 1 80 80 VAL HG23 H 1 1.103 0.004 . 2 . 867 . . 80 VAL HG23 . 19525 1
945 . 1 1 80 80 VAL C C 13 174.275 0.01 . 1 . 858 . . 80 VAL C . 19525 1
946 . 1 1 80 80 VAL CA C 13 60.544 0.04 . 1 . 859 . . 80 VAL CA . 19525 1
947 . 1 1 80 80 VAL CB C 13 35.160 0.038 . 1 . 860 . . 80 VAL CB . 19525 1
948 . 1 1 80 80 VAL CG1 C 13 23.342 0.003 . 2 . 861 . . 80 VAL CG1 . 19525 1
949 . 1 1 80 80 VAL CG2 C 13 22.868 0.007 . 2 . 862 . . 80 VAL CG2 . 19525 1
950 . 1 1 80 80 VAL N N 15 123.770 0.021 . 1 . 868 . . 80 VAL N . 19525 1
951 . 1 1 81 81 ASN H H 1 8.920 0.007 . 1 . 873 . . 81 ASN H . 19525 1
952 . 1 1 81 81 ASN HA H 1 4.960 0.004 . 1 . 874 . . 81 ASN HA . 19525 1
953 . 1 1 81 81 ASN HB2 H 1 2.844 0.003 . 2 . 875 . . 81 ASN HB2 . 19525 1
954 . 1 1 81 81 ASN HB3 H 1 2.978 0.002 . 2 . 876 . . 81 ASN HB3 . 19525 1
955 . 1 1 81 81 ASN HD21 H 1 7.348 0.001 . 1 . 877 . . 81 ASN HD21 . 19525 1
956 . 1 1 81 81 ASN HD22 H 1 6.699 0.001 . 1 . 878 . . 81 ASN HD22 . 19525 1
957 . 1 1 81 81 ASN C C 13 173.738 0.01 . 1 . 869 . . 81 ASN C . 19525 1
958 . 1 1 81 81 ASN CA C 13 52.185 0.035 . 1 . 870 . . 81 ASN CA . 19525 1
959 . 1 1 81 81 ASN CB C 13 42.350 0.044 . 1 . 871 . . 81 ASN CB . 19525 1
960 . 1 1 81 81 ASN CG C 13 175.681 0.001 . 1 . 872 . . 81 ASN CG . 19525 1
961 . 1 1 81 81 ASN N N 15 120.949 0.021 . 1 . 879 . . 81 ASN N . 19525 1
962 . 1 1 81 81 ASN ND2 N 15 111.943 0.005 . 1 . 880 . . 81 ASN ND2 . 19525 1
963 . 1 1 82 82 GLU H H 1 9.233 0.005 . 1 . 885 . . 82 GLU H . 19525 1
964 . 1 1 82 82 GLU HA H 1 4.391 0.005 . 1 . 886 . . 82 GLU HA . 19525 1
965 . 1 1 82 82 GLU HB2 H 1 2.105 0.014 . 2 . 887 . . 82 GLU HB2 . 19525 1
966 . 1 1 82 82 GLU HB3 H 1 2.051 0.003 . 2 . 888 . . 82 GLU HB3 . 19525 1
967 . 1 1 82 82 GLU HG2 H 1 2.624 0.007 . 2 . 889 . . 82 GLU HG2 . 19525 1
968 . 1 1 82 82 GLU HG3 H 1 2.478 0.009 . 2 . 890 . . 82 GLU HG3 . 19525 1
969 . 1 1 82 82 GLU C C 13 176.172 0.01 . 1 . 881 . . 82 GLU C . 19525 1
970 . 1 1 82 82 GLU CA C 13 57.989 0.043 . 1 . 882 . . 82 GLU CA . 19525 1
971 . 1 1 82 82 GLU CB C 13 30.104 0.083 . 1 . 883 . . 82 GLU CB . 19525 1
972 . 1 1 82 82 GLU CG C 13 36.199 0.039 . 1 . 884 . . 82 GLU CG . 19525 1
973 . 1 1 82 82 GLU N N 15 122.731 0.014 . 1 . 891 . . 82 GLU N . 19525 1
974 . 1 1 83 83 ALA H H 1 8.797 0.003 . 1 . 895 . . 83 ALA H . 19525 1
975 . 1 1 83 83 ALA HA H 1 4.506 0.003 . 1 . 896 . . 83 ALA HA . 19525 1
976 . 1 1 83 83 ALA HB1 H 1 1.483 0.003 . 1 . 897 . . 83 ALA HB1 . 19525 1
977 . 1 1 83 83 ALA HB2 H 1 1.483 0.003 . 1 . 897 . . 83 ALA HB2 . 19525 1
978 . 1 1 83 83 ALA HB3 H 1 1.483 0.003 . 1 . 897 . . 83 ALA HB3 . 19525 1
979 . 1 1 83 83 ALA C C 13 177.140 0.01 . 1 . 892 . . 83 ALA C . 19525 1
980 . 1 1 83 83 ALA CA C 13 52.517 0.036 . 1 . 893 . . 83 ALA CA . 19525 1
981 . 1 1 83 83 ALA CB C 13 19.650 0.065 . 1 . 894 . . 83 ALA CB . 19525 1
982 . 1 1 83 83 ALA N N 15 128.802 0.025 . 1 . 898 . . 83 ALA N . 19525 1
983 . 1 1 84 84 GLN H H 1 8.735 0.002 . 1 . 904 . . 84 GLN H . 19525 1
984 . 1 1 84 84 GLN HA H 1 4.373 0.009 . 1 . 905 . . 84 GLN HA . 19525 1
985 . 1 1 84 84 GLN HB2 H 1 1.984 0.006 . 2 . 906 . . 84 GLN HB2 . 19525 1
986 . 1 1 84 84 GLN HB3 H 1 2.120 0.006 . 2 . 907 . . 84 GLN HB3 . 19525 1
987 . 1 1 84 84 GLN HG2 H 1 2.384 0.011 . 1 . 910 . . 84 GLN HG2 . 19525 1
988 . 1 1 84 84 GLN HG3 H 1 2.384 0.011 . 1 . 911 . . 84 GLN HG3 . 19525 1
989 . 1 1 84 84 GLN HE21 H 1 7.377 0.001 . 1 . 908 . . 84 GLN HE21 . 19525 1
990 . 1 1 84 84 GLN HE22 H 1 6.852 0.001 . 1 . 909 . . 84 GLN HE22 . 19525 1
991 . 1 1 84 84 GLN C C 13 176.054 0.01 . 1 . 899 . . 84 GLN C . 19525 1
992 . 1 1 84 84 GLN CA C 13 55.851 0.046 . 1 . 900 . . 84 GLN CA . 19525 1
993 . 1 1 84 84 GLN CB C 13 29.749 0.059 . 1 . 901 . . 84 GLN CB . 19525 1
994 . 1 1 84 84 GLN CG C 13 33.891 0.019 . 1 . 903 . . 84 GLN CG . 19525 1
995 . 1 1 84 84 GLN CD C 13 180.562 0.001 . 1 . 902 . . 84 GLN CD . 19525 1
996 . 1 1 84 84 GLN N N 15 120.743 0.01 . 1 . 912 . . 84 GLN N . 19525 1
997 . 1 1 84 84 GLN NE2 N 15 112.684 0.01 . 1 . 913 . . 84 GLN NE2 . 19525 1
998 . 1 1 85 85 SER H H 1 8.478 0.003 . 1 . 917 . . 85 SER H . 19525 1
999 . 1 1 85 85 SER HA H 1 4.407 0.009 . 1 . 918 . . 85 SER HA . 19525 1
1000 . 1 1 85 85 SER HB2 H 1 3.868 0.007 . 1 . 919 . . 85 SER HB2 . 19525 1
1001 . 1 1 85 85 SER HB3 H 1 3.868 0.007 . 1 . 920 . . 85 SER HB3 . 19525 1
1002 . 1 1 85 85 SER C C 13 173.601 0.01 . 1 . 914 . . 85 SER C . 19525 1
1003 . 1 1 85 85 SER CA C 13 58.531 0.029 . 1 . 915 . . 85 SER CA . 19525 1
1004 . 1 1 85 85 SER CB C 13 63.886 0.015 . 1 . 916 . . 85 SER CB . 19525 1
1005 . 1 1 85 85 SER N N 15 118.219 0.014 . 1 . 921 . . 85 SER N . 19525 1
1006 . 1 1 86 86 ARG H H 1 8.069 0.001 . 1 . 926 . . 86 ARG H . 19525 1
1007 . 1 1 86 86 ARG HA H 1 4.128 0.005 . 1 . 927 . . 86 ARG HA . 19525 1
1008 . 1 1 86 86 ARG HB2 H 1 1.790 0.005 . 2 . 928 . . 86 ARG HB2 . 19525 1
1009 . 1 1 86 86 ARG HB3 H 1 1.673 0.004 . 2 . 929 . . 86 ARG HB3 . 19525 1
1010 . 1 1 86 86 ARG HG2 H 1 1.529 0.002 . 2 . 932 . . 86 ARG HG2 . 19525 1
1011 . 1 1 86 86 ARG HG3 H 1 1.606 0.002 . 2 . 933 . . 86 ARG HG3 . 19525 1
1012 . 1 1 86 86 ARG HD2 H 1 3.090 0.005 . 2 . 930 . . 86 ARG HD2 . 19525 1
1013 . 1 1 86 86 ARG HD3 H 1 3.201 0.002 . 2 . 931 . . 86 ARG HD3 . 19525 1
1014 . 1 1 86 86 ARG CA C 13 57.563 0.033 . 1 . 922 . . 86 ARG CA . 19525 1
1015 . 1 1 86 86 ARG CB C 13 31.470 0.024 . 1 . 923 . . 86 ARG CB . 19525 1
1016 . 1 1 86 86 ARG CG C 13 27.172 0.006 . 1 . 925 . . 86 ARG CG . 19525 1
1017 . 1 1 86 86 ARG CD C 13 43.485 0.027 . 1 . 924 . . 86 ARG CD . 19525 1
1018 . 1 1 86 86 ARG N N 15 127.856 0.005 . 1 . 934 . . 86 ARG N . 19525 1
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save_