Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 27812
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 27812 1
2 '3D HNCO' . . . 27812 1
3 '3D CBCA(CO)NH' . . . 27812 1
4 '3D HNCACB' . . . 27812 1
5 '3D HN(CA)CO' . . . 27812 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $NMRPipe . . 27812 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 2 2 ILE C C 13 175.518 0.011 . 1 . . . . . 680 Ile C . 27812 1
2 . 1 . 1 2 2 ILE CA C 13 61.180 0.023 . 1 . . . . . 680 Ile CA . 27812 1
3 . 1 . 1 2 2 ILE CB C 13 38.744 0.027 . 1 . . . . . 680 Ile CB . 27812 1
4 . 1 . 1 3 3 ASN H H 1 8.665 0.001 . 1 . . . . . 681 Asn H . 27812 1
5 . 1 . 1 3 3 ASN C C 13 174.655 0.004 . 1 . . . . . 681 Asn C . 27812 1
6 . 1 . 1 3 3 ASN CA C 13 52.996 0.021 . 1 . . . . . 681 Asn CA . 27812 1
7 . 1 . 1 3 3 ASN CB C 13 38.917 0.009 . 1 . . . . . 681 Asn CB . 27812 1
8 . 1 . 1 3 3 ASN N N 15 123.348 0.034 . 1 . . . . . 681 Asn N . 27812 1
9 . 1 . 1 4 4 ASN H H 1 8.508 0.002 . 1 . . . . . 682 Asn H . 27812 1
10 . 1 . 1 4 4 ASN C C 13 174.946 0.006 . 1 . . . . . 682 Asn C . 27812 1
11 . 1 . 1 4 4 ASN CA C 13 53.191 0.058 . 1 . . . . . 682 Asn CA . 27812 1
12 . 1 . 1 4 4 ASN CB C 13 38.780 0.052 . 1 . . . . . 682 Asn CB . 27812 1
13 . 1 . 1 4 4 ASN N N 15 120.211 0.048 . 1 . . . . . 682 Asn N . 27812 1
14 . 1 . 1 5 5 TYR H H 1 8.208 0.002 . 1 . . . . . 683 Tyr H . 27812 1
15 . 1 . 1 5 5 TYR C C 13 175.687 0.015 . 1 . . . . . 683 Tyr C . 27812 1
16 . 1 . 1 5 5 TYR CA C 13 58.047 0.007 . 1 . . . . . 683 Tyr CA . 27812 1
17 . 1 . 1 5 5 TYR CB C 13 38.307 0.057 . 1 . . . . . 683 Tyr CB . 27812 1
18 . 1 . 1 5 5 TYR N N 15 120.261 0.274 . 1 . . . . . 683 Tyr N . 27812 1
19 . 1 . 1 6 6 LEU H H 1 8.103 0.001 . 1 . . . . . 684 Leu H . 27812 1
20 . 1 . 1 6 6 LEU C C 13 177.297 0.010 . 1 . . . . . 684 Leu C . 27812 1
21 . 1 . 1 6 6 LEU CA C 13 55.101 0.024 . 1 . . . . . 684 Leu CA . 27812 1
22 . 1 . 1 6 6 LEU CB C 13 42.372 0.044 . 1 . . . . . 684 Leu CB . 27812 1
23 . 1 . 1 6 6 LEU N N 15 122.903 0.006 . 1 . . . . . 684 Leu N . 27812 1
24 . 1 . 1 7 7 THR H H 1 8.148 0.001 . 1 . . . . . 685 Thr H . 27812 1
25 . 1 . 1 7 7 THR C C 13 174.201 0.018 . 1 . . . . . 685 Thr C . 27812 1
26 . 1 . 1 7 7 THR CA C 13 61.869 0.004 . 1 . . . . . 685 Thr CA . 27812 1
27 . 1 . 1 7 7 THR CB C 13 69.708 0.027 . 1 . . . . . 685 Thr CB . 27812 1
28 . 1 . 1 7 7 THR N N 15 115.882 0.239 . 1 . . . . . 685 Thr N . 27812 1
29 . 1 . 1 8 8 VAL H H 1 8.261 0.002 . 1 . . . . . 686 Val H . 27812 1
30 . 1 . 1 8 8 VAL C C 13 174.120 0.000 . 1 . . . . . 686 Val C . 27812 1
31 . 1 . 1 8 8 VAL CA C 13 59.786 0.000 . 1 . . . . . 686 Val CA . 27812 1
32 . 1 . 1 8 8 VAL CB C 13 32.670 0.000 . 1 . . . . . 686 Val CB . 27812 1
33 . 1 . 1 8 8 VAL N N 15 124.962 0.227 . 1 . . . . . 686 Val N . 27812 1
34 . 1 . 1 9 9 PRO C C 13 176.574 0.002 . 1 . . . . . 687 Pro C . 27812 1
35 . 1 . 1 9 9 PRO CA C 13 63.014 0.001 . 1 . . . . . 687 Pro CA . 27812 1
36 . 1 . 1 9 9 PRO CB C 13 32.196 0.024 . 1 . . . . . 687 Pro CB . 27812 1
37 . 1 . 1 10 10 ALA H H 1 8.501 0.002 . 1 . . . . . 688 Ala H . 27812 1
38 . 1 . 1 10 10 ALA C C 13 177.638 0.015 . 1 . . . . . 688 Ala C . 27812 1
39 . 1 . 1 10 10 ALA CA C 13 52.559 0.023 . 1 . . . . . 688 Ala CA . 27812 1
40 . 1 . 1 10 10 ALA CB C 13 19.179 0.028 . 1 . . . . . 688 Ala CB . 27812 1
41 . 1 . 1 10 10 ALA N N 15 124.467 0.028 . 1 . . . . . 688 Ala N . 27812 1
42 . 1 . 1 11 11 HIS H H 1 8.306 0.011 . 1 . . . . . 689 His H . 27812 1
43 . 1 . 1 11 11 HIS C C 13 174.940 0.044 . 1 . . . . . 689 His C . 27812 1
44 . 1 . 1 11 11 HIS CA C 13 55.888 0.195 . 1 . . . . . 689 His CA . 27812 1
45 . 1 . 1 11 11 HIS CB C 13 30.604 0.011 . 1 . . . . . 689 His CB . 27812 1
46 . 1 . 1 11 11 HIS N N 15 118.460 0.191 . 1 . . . . . 689 His N . 27812 1
47 . 1 . 1 12 12 LYS H H 1 8.489 0.010 . 1 . . . . . 690 Lys H . 27812 1
48 . 1 . 1 12 12 LYS C C 13 176.440 0.103 . 1 . . . . . 690 Lys C . 27812 1
49 . 1 . 1 12 12 LYS CA C 13 55.852 0.296 . 1 . . . . . 690 Lys CA . 27812 1
50 . 1 . 1 12 12 LYS CB C 13 33.432 0.407 . 1 . . . . . 690 Lys CB . 27812 1
51 . 1 . 1 12 12 LYS N N 15 124.022 0.218 . 1 . . . . . 690 Lys N . 27812 1
52 . 1 . 1 13 13 LEU H H 1 8.518 0.010 . 1 . . . . . 691 Leu H . 27812 1
53 . 1 . 1 13 13 LEU C C 13 177.158 0.000 . 1 . . . . . 691 Leu C . 27812 1
54 . 1 . 1 13 13 LEU CA C 13 55.176 0.010 . 1 . . . . . 691 Leu CA . 27812 1
55 . 1 . 1 13 13 LEU CB C 13 42.226 0.016 . 1 . . . . . 691 Leu CB . 27812 1
56 . 1 . 1 13 13 LEU N N 15 124.536 0.291 . 1 . . . . . 691 Leu N . 27812 1
57 . 1 . 1 14 14 ASP H H 1 8.380 0.003 . 1 . . . . . 692 Asp H . 27812 1
58 . 1 . 1 14 14 ASP C C 13 176.011 0.011 . 1 . . . . . 692 Asp C . 27812 1
59 . 1 . 1 14 14 ASP CA C 13 54.144 0.019 . 1 . . . . . 692 Asp CA . 27812 1
60 . 1 . 1 14 14 ASP CB C 13 40.938 0.123 . 1 . . . . . 692 Asp CB . 27812 1
61 . 1 . 1 14 14 ASP N N 15 120.778 0.237 . 1 . . . . . 692 Asp N . 27812 1
62 . 1 . 1 15 15 SEP H H 1 8.586 0.010 . 1 . . . . . 693 Sep H . 27812 1
63 . 1 . 1 15 15 SEP C C 13 173.718 0.000 . 1 . . . . . 693 Sep C . 27812 1
64 . 1 . 1 15 15 SEP CA C 13 55.924 0.000 . 1 . . . . . 693 Sep CA . 27812 1
65 . 1 . 1 15 15 SEP CB C 13 65.147 0.000 . 1 . . . . . 693 Sep CB . 27812 1
66 . 1 . 1 15 15 SEP N N 15 118.225 0.232 . 1 . . . . . 693 Sep N . 27812 1
67 . 1 . 1 16 16 PRO C C 13 177.651 0.020 . 1 . . . . . 694 Pro C . 27812 1
68 . 1 . 1 16 16 PRO CA C 13 64.143 0.023 . 1 . . . . . 694 Pro CA . 27812 1
69 . 1 . 1 16 16 PRO CB C 13 32.137 0.000 . 1 . . . . . 694 Pro CB . 27812 1
70 . 1 . 1 17 17 THR H H 1 8.238 0.004 . 1 . . . . . 695 Thr H . 27812 1
71 . 1 . 1 17 17 THR C C 13 175.282 0.016 . 1 . . . . . 695 Thr C . 27812 1
72 . 1 . 1 17 17 THR CA C 13 63.378 0.010 . 1 . . . . . 695 Thr CA . 27812 1
73 . 1 . 1 17 17 THR CB C 13 68.852 0.035 . 1 . . . . . 695 Thr CB . 27812 1
74 . 1 . 1 17 17 THR N N 15 114.021 0.014 . 1 . . . . . 695 Thr N . 27812 1
75 . 1 . 1 18 18 MET H H 1 8.277 0.002 . 1 . . . . . 696 Met H . 27812 1
76 . 1 . 1 18 18 MET C C 13 176.684 0.035 . 1 . . . . . 696 Met C . 27812 1
77 . 1 . 1 18 18 MET CA C 13 55.959 0.268 . 1 . . . . . 696 Met CA . 27812 1
78 . 1 . 1 18 18 MET CB C 13 32.292 0.179 . 1 . . . . . 696 Met CB . 27812 1
79 . 1 . 1 18 18 MET N N 15 122.166 0.277 . 1 . . . . . 696 Met N . 27812 1
80 . 1 . 1 19 19 SER H H 1 8.442 0.008 . 1 . . . . . 697 Ser H . 27812 1
81 . 1 . 1 19 19 SER C C 13 175.099 0.000 . 1 . . . . . 697 Ser C . 27812 1
82 . 1 . 1 19 19 SER CA C 13 59.053 0.005 . 1 . . . . . 697 Ser CA . 27812 1
83 . 1 . 1 19 19 SER CB C 13 63.370 0.168 . 1 . . . . . 697 Ser CB . 27812 1
84 . 1 . 1 19 19 SER N N 15 117.198 0.357 . 1 . . . . . 697 Ser N . 27812 1
85 . 1 . 1 20 20 ARG H H 1 8.408 0.002 . 1 . . . . . 698 Arg H . 27812 1
86 . 1 . 1 20 20 ARG C C 13 176.304 0.001 . 1 . . . . . 698 Arg C . 27812 1
87 . 1 . 1 20 20 ARG CA C 13 56.326 0.008 . 1 . . . . . 698 Arg CA . 27812 1
88 . 1 . 1 20 20 ARG CB C 13 30.583 0.016 . 1 . . . . . 698 Arg CB . 27812 1
89 . 1 . 1 20 20 ARG N N 15 123.056 0.009 . 1 . . . . . 698 Arg N . 27812 1
90 . 1 . 1 21 21 ALA H H 1 8.240 0.001 . 1 . . . . . 699 Ala H . 27812 1
91 . 1 . 1 21 21 ALA C C 13 177.777 0.009 . 1 . . . . . 699 Ala C . 27812 1
92 . 1 . 1 21 21 ALA CA C 13 52.688 0.010 . 1 . . . . . 699 Ala CA . 27812 1
93 . 1 . 1 21 21 ALA CB C 13 19.110 0.019 . 1 . . . . . 699 Ala CB . 27812 1
94 . 1 . 1 21 21 ALA N N 15 124.490 0.035 . 1 . . . . . 699 Ala N . 27812 1
95 . 1 . 1 22 22 ARG H H 1 8.319 0.001 . 1 . . . . . 700 Arg H . 27812 1
96 . 1 . 1 22 22 ARG C C 13 176.515 0.008 . 1 . . . . . 700 Arg C . 27812 1
97 . 1 . 1 22 22 ARG CA C 13 56.059 0.004 . 1 . . . . . 700 Arg CA . 27812 1
98 . 1 . 1 22 22 ARG CB C 13 30.773 0.005 . 1 . . . . . 700 Arg CB . 27812 1
99 . 1 . 1 22 22 ARG N N 15 120.574 0.017 . 1 . . . . . 700 Arg N . 27812 1
100 . 1 . 1 23 23 ILE H H 1 8.331 0.001 . 1 . . . . . 701 Ile H . 27812 1
101 . 1 . 1 23 23 ILE C C 13 176.968 0.002 . 1 . . . . . 701 Ile C . 27812 1
102 . 1 . 1 23 23 ILE CA C 13 61.430 0.005 . 1 . . . . . 701 Ile CA . 27812 1
103 . 1 . 1 23 23 ILE CB C 13 38.568 0.011 . 1 . . . . . 701 Ile CB . 27812 1
104 . 1 . 1 23 23 ILE N N 15 123.108 0.235 . 1 . . . . . 701 Ile N . 27812 1
105 . 1 . 1 24 24 GLY H H 1 8.631 0.001 . 1 . . . . . 702 Gly H . 27812 1
106 . 1 . 1 24 24 GLY C C 13 174.029 0.014 . 1 . . . . . 702 Gly C . 27812 1
107 . 1 . 1 24 24 GLY CA C 13 45.209 0.002 . 1 . . . . . 702 Gly CA . 27812 1
108 . 1 . 1 24 24 GLY N N 15 113.487 0.015 . 1 . . . . . 702 Gly N . 27812 1
109 . 1 . 1 25 25 SER H H 1 8.239 0.002 . 1 . . . . . 703 Ser H . 27812 1
110 . 1 . 1 25 25 SER C C 13 173.996 0.004 . 1 . . . . . 703 Ser C . 27812 1
111 . 1 . 1 25 25 SER CA C 13 58.138 0.016 . 1 . . . . . 703 Ser CA . 27812 1
112 . 1 . 1 25 25 SER CB C 13 63.980 0.017 . 1 . . . . . 703 Ser CB . 27812 1
113 . 1 . 1 25 25 SER N N 15 115.378 0.206 . 1 . . . . . 703 Ser N . 27812 1
114 . 1 . 1 26 26 ASP H H 1 8.476 0.001 . 1 . . . . . 704 Asp H . 27812 1
115 . 1 . 1 26 26 ASP C C 13 174.958 0.000 . 1 . . . . . 704 Asp C . 27812 1
116 . 1 . 1 26 26 ASP CA C 13 52.237 0.000 . 1 . . . . . 704 Asp CA . 27812 1
117 . 1 . 1 26 26 ASP CB C 13 41.095 0.000 . 1 . . . . . 704 Asp CB . 27812 1
118 . 1 . 1 26 26 ASP N N 15 123.670 0.022 . 1 . . . . . 704 Asp N . 27812 1
119 . 1 . 1 27 27 PRO C C 13 177.289 0.003 . 1 . . . . . 705 Pro C . 27812 1
120 . 1 . 1 27 27 PRO CA C 13 63.534 0.001 . 1 . . . . . 705 Pro CA . 27812 1
121 . 1 . 1 27 27 PRO CB C 13 32.165 0.019 . 1 . . . . . 705 Pro CB . 27812 1
122 . 1 . 1 28 28 LEU H H 1 8.396 0.001 . 1 . . . . . 706 Leu H . 27812 1
123 . 1 . 1 28 28 LEU C C 13 177.353 0.000 . 1 . . . . . 706 Leu C . 27812 1
124 . 1 . 1 28 28 LEU CA C 13 54.939 0.029 . 1 . . . . . 706 Leu CA . 27812 1
125 . 1 . 1 28 28 LEU CB C 13 41.646 0.020 . 1 . . . . . 706 Leu CB . 27812 1
126 . 1 . 1 28 28 LEU N N 15 120.670 0.004 . 1 . . . . . 706 Leu N . 27812 1
127 . 1 . 1 29 29 ALA H H 1 7.975 0.001 . 1 . . . . . 707 Ala H . 27812 1
128 . 1 . 1 29 29 ALA C C 13 177.058 0.009 . 1 . . . . . 707 Ala C . 27812 1
129 . 1 . 1 29 29 ALA CA C 13 52.414 0.082 . 1 . . . . . 707 Ala CA . 27812 1
130 . 1 . 1 29 29 ALA CB C 13 19.239 0.083 . 1 . . . . . 707 Ala CB . 27812 1
131 . 1 . 1 29 29 ALA N N 15 123.974 0.008 . 1 . . . . . 707 Ala N . 27812 1
132 . 1 . 1 30 30 TYR H H 1 8.098 0.001 . 1 . . . . . 708 Tyr H . 27812 1
133 . 1 . 1 30 30 TYR C C 13 175.146 0.002 . 1 . . . . . 708 Tyr C . 27812 1
134 . 1 . 1 30 30 TYR CA C 13 57.511 0.013 . 1 . . . . . 708 Tyr CA . 27812 1
135 . 1 . 1 30 30 TYR CB C 13 38.929 0.008 . 1 . . . . . 708 Tyr CB . 27812 1
136 . 1 . 1 30 30 TYR N N 15 119.794 0.222 . 1 . . . . . 708 Tyr N . 27812 1
137 . 1 . 1 31 31 GLU H H 1 8.212 0.000 . 1 . . . . . 709 Glu H . 27812 1
138 . 1 . 1 31 31 GLU C C 13 173.585 0.000 . 1 . . . . . 709 Glu C . 27812 1
139 . 1 . 1 31 31 GLU CA C 13 53.551 0.000 . 1 . . . . . 709 Glu CA . 27812 1
140 . 1 . 1 31 31 GLU CB C 13 30.267 0.000 . 1 . . . . . 709 Glu CB . 27812 1
141 . 1 . 1 31 31 GLU N N 15 125.545 0.005 . 1 . . . . . 709 Glu N . 27812 1
142 . 1 . 1 33 33 LYS C C 13 176.783 0.000 . 1 . . . . . 711 Lys C . 27812 1
143 . 1 . 1 33 33 LYS CB C 13 32.043 0.000 . 1 . . . . . 711 Lys CB . 27812 1
144 . 1 . 1 34 34 GLU H H 1 8.591 0.034 . 1 . . . . . 712 Glu H . 27812 1
145 . 1 . 1 34 34 GLU C C 13 175.949 0.000 . 1 . . . . . 712 Glu C . 27812 1
146 . 1 . 1 34 34 GLU CA C 13 56.117 0.000 . 1 . . . . . 712 Glu CA . 27812 1
147 . 1 . 1 34 34 GLU CB C 13 30.618 0.000 . 1 . . . . . 712 Glu CB . 27812 1
148 . 1 . 1 34 34 GLU N N 15 122.300 0.332 . 1 . . . . . 712 Glu N . 27812 1
149 . 1 . 1 35 35 ASP H H 1 8.553 0.002 . 1 . . . . . 713 Asp H . 27812 1
150 . 1 . 1 35 35 ASP C C 13 175.746 0.033 . 1 . . . . . 713 Asp C . 27812 1
151 . 1 . 1 35 35 ASP CA C 13 54.091 0.000 . 1 . . . . . 713 Asp CA . 27812 1
152 . 1 . 1 35 35 ASP CB C 13 41.054 0.000 . 1 . . . . . 713 Asp CB . 27812 1
153 . 1 . 1 35 35 ASP N N 15 122.662 0.297 . 1 . . . . . 713 Asp N . 27812 1
154 . 1 . 1 36 36 LEU H H 1 8.267 0.002 . 1 . . . . . 714 Leu H . 27812 1
155 . 1 . 1 36 36 LEU C C 13 175.179 0.000 . 1 . . . . . 714 Leu C . 27812 1
156 . 1 . 1 36 36 LEU N N 15 124.158 0.034 . 1 . . . . . 714 Leu N . 27812 1
157 . 1 . 1 37 37 PRO C C 13 176.662 0.000 . 1 . . . . . 715 Pro C . 27812 1
158 . 1 . 1 37 37 PRO CA C 13 62.848 0.004 . 1 . . . . . 715 Pro CA . 27812 1
159 . 1 . 1 37 37 PRO CB C 13 32.085 0.014 . 1 . . . . . 715 Pro CB . 27812 1
160 . 1 . 1 38 38 VAL H H 1 8.427 0.002 . 1 . . . . . 716 Val H . 27812 1
161 . 1 . 1 38 38 VAL C C 13 176.309 0.002 . 1 . . . . . 716 Val C . 27812 1
162 . 1 . 1 38 38 VAL CA C 13 62.396 0.040 . 1 . . . . . 716 Val CA . 27812 1
163 . 1 . 1 38 38 VAL CB C 13 32.818 0.006 . 1 . . . . . 716 Val CB . 27812 1
164 . 1 . 1 38 38 VAL N N 15 121.946 0.203 . 1 . . . . . 716 Val N . 27812 1
165 . 1 . 1 39 39 ILE H H 1 8.468 0.003 . 1 . . . . . 717 Ile H . 27812 1
166 . 1 . 1 39 39 ILE C C 13 176.262 0.001 . 1 . . . . . 717 Ile C . 27812 1
167 . 1 . 1 39 39 ILE CA C 13 60.557 0.035 . 1 . . . . . 717 Ile CA . 27812 1
168 . 1 . 1 39 39 ILE CB C 13 38.654 0.008 . 1 . . . . . 717 Ile CB . 27812 1
169 . 1 . 1 39 39 ILE N N 15 127.045 0.288 . 1 . . . . . 717 Ile N . 27812 1
170 . 1 . 1 40 40 THR H H 1 8.502 0.002 . 1 . . . . . 718 Thr H . 27812 1
171 . 1 . 1 40 40 THR C C 13 173.959 0.014 . 1 . . . . . 718 Thr C . 27812 1
172 . 1 . 1 40 40 THR CA C 13 61.654 0.035 . 1 . . . . . 718 Thr CA . 27812 1
173 . 1 . 1 40 40 THR CB C 13 69.793 0.033 . 1 . . . . . 718 Thr CB . 27812 1
174 . 1 . 1 40 40 THR N N 15 121.554 0.275 . 1 . . . . . 718 Thr N . 27812 1
175 . 1 . 1 41 41 ILE H H 1 8.414 0.001 . 1 . . . . . 719 Ile H . 27812 1
176 . 1 . 1 41 41 ILE C C 13 175.619 0.012 . 1 . . . . . 719 Ile C . 27812 1
177 . 1 . 1 41 41 ILE CA C 13 60.481 0.028 . 1 . . . . . 719 Ile CA . 27812 1
178 . 1 . 1 41 41 ILE CB C 13 38.909 0.002 . 1 . . . . . 719 Ile CB . 27812 1
179 . 1 . 1 41 41 ILE N N 15 124.913 0.012 . 1 . . . . . 719 Ile N . 27812 1
180 . 1 . 1 42 42 ASP H H 1 8.640 0.001 . 1 . . . . . 720 Asp H . 27812 1
181 . 1 . 1 42 42 ASP C C 13 174.258 0.000 . 1 . . . . . 720 Asp C . 27812 1
182 . 1 . 1 42 42 ASP CA C 13 52.524 0.000 . 1 . . . . . 720 Asp CA . 27812 1
183 . 1 . 1 42 42 ASP CB C 13 40.603 0.000 . 1 . . . . . 720 Asp CB . 27812 1
184 . 1 . 1 42 42 ASP N N 15 127.450 0.008 . 1 . . . . . 720 Asp N . 27812 1
185 . 1 . 1 43 43 PRO C C 13 176.525 0.006 . 1 . . . . . 721 Pro C . 27812 1
186 . 1 . 1 43 43 PRO CA C 13 62.937 0.019 . 1 . . . . . 721 Pro CA . 27812 1
187 . 1 . 1 43 43 PRO CB C 13 32.131 0.006 . 1 . . . . . 721 Pro CB . 27812 1
188 . 1 . 1 44 44 ALA H H 1 8.445 0.001 . 1 . . . . . 722 Ala H . 27812 1
189 . 1 . 1 44 44 ALA C C 13 177.614 0.010 . 1 . . . . . 722 Ala C . 27812 1
190 . 1 . 1 44 44 ALA CA C 13 52.135 0.033 . 1 . . . . . 722 Ala CA . 27812 1
191 . 1 . 1 44 44 ALA CB C 13 19.542 0.023 . 1 . . . . . 722 Ala CB . 27812 1
192 . 1 . 1 44 44 ALA N N 15 124.777 0.017 . 1 . . . . . 722 Ala N . 27812 1
193 . 1 . 1 45 45 SEP H H 1 8.847 0.005 . 1 . . . . . 723 Sep H . 27812 1
194 . 1 . 1 45 45 SEP C C 13 172.340 0.000 . 1 . . . . . 723 Sep C . 27812 1
195 . 1 . 1 45 45 SEP CA C 13 55.885 0.000 . 1 . . . . . 723 Sep CA . 27812 1
196 . 1 . 1 45 45 SEP CB C 13 64.551 0.000 . 1 . . . . . 723 Sep CB . 27812 1
197 . 1 . 1 45 45 SEP N N 15 118.842 0.245 . 1 . . . . . 723 Sep N . 27812 1
198 . 1 . 1 46 46 PRO C C 13 176.842 0.007 . 1 . . . . . 724 Pro C . 27812 1
199 . 1 . 1 46 46 PRO CA C 13 62.946 0.313 . 1 . . . . . 724 Pro CA . 27812 1
200 . 1 . 1 46 46 PRO CB C 13 32.095 0.023 . 1 . . . . . 724 Pro CB . 27812 1
201 . 1 . 1 47 47 GLN H H 1 8.661 0.005 . 1 . . . . . 725 Gln H . 27812 1
202 . 1 . 1 47 47 GLN C C 13 175.930 0.017 . 1 . . . . . 725 Gln C . 27812 1
203 . 1 . 1 47 47 GLN CA C 13 55.069 0.012 . 1 . . . . . 725 Gln CA . 27812 1
204 . 1 . 1 47 47 GLN CB C 13 30.235 0.013 . 1 . . . . . 725 Gln CB . 27812 1
205 . 1 . 1 47 47 GLN N N 15 121.830 0.129 . 1 . . . . . 725 Gln N . 27812 1
206 . 1 . 1 48 48 SEP H H 1 8.987 0.008 . 1 . . . . . 726 Sep H . 27812 1
207 . 1 . 1 48 48 SEP C C 13 172.268 0.000 . 1 . . . . . 726 Sep C . 27812 1
208 . 1 . 1 48 48 SEP CA C 13 56.162 0.000 . 1 . . . . . 726 Sep CA . 27812 1
209 . 1 . 1 48 48 SEP CB C 13 64.542 0.000 . 1 . . . . . 726 Sep CB . 27812 1
210 . 1 . 1 48 48 SEP N N 15 120.796 0.070 . 1 . . . . . 726 Sep N . 27812 1
211 . 1 . 1 49 49 PRO C C 13 177.020 0.000 . 1 . . . . . 727 Pro C . 27812 1
212 . 1 . 1 49 49 PRO CA C 13 63.306 0.019 . 1 . . . . . 727 Pro CA . 27812 1
213 . 1 . 1 49 49 PRO CB C 13 32.181 0.028 . 1 . . . . . 727 Pro CB . 27812 1
214 . 1 . 1 50 50 GLU H H 1 8.711 0.001 . 1 . . . . . 728 Glu H . 27812 1
215 . 1 . 1 50 50 GLU C C 13 176.794 0.005 . 1 . . . . . 728 Glu C . 27812 1
216 . 1 . 1 50 50 GLU CA C 13 56.733 0.026 . 1 . . . . . 728 Glu CA . 27812 1
217 . 1 . 1 50 50 GLU CB C 13 30.208 0.031 . 1 . . . . . 728 Glu CB . 27812 1
218 . 1 . 1 50 50 GLU N N 15 121.505 0.007 . 1 . . . . . 728 Glu N . 27812 1
219 . 1 . 1 51 51 SER H H 1 8.496 0.001 . 1 . . . . . 729 Ser H . 27812 1
220 . 1 . 1 51 51 SER C C 13 174.742 0.024 . 1 . . . . . 729 Ser C . 27812 1
221 . 1 . 1 51 51 SER CA C 13 58.318 0.023 . 1 . . . . . 729 Ser CA . 27812 1
222 . 1 . 1 51 51 SER CB C 13 63.745 0.018 . 1 . . . . . 729 Ser CB . 27812 1
223 . 1 . 1 51 51 SER N N 15 117.908 0.042 . 1 . . . . . 729 Ser N . 27812 1
224 . 1 . 1 52 52 VAL H H 1 8.316 0.001 . 1 . . . . . 730 Val H . 27812 1
225 . 1 . 1 52 52 VAL C C 13 175.828 0.016 . 1 . . . . . 730 Val C . 27812 1
226 . 1 . 1 52 52 VAL CA C 13 62.262 0.006 . 1 . . . . . 730 Val CA . 27812 1
227 . 1 . 1 52 52 VAL CB C 13 32.849 0.010 . 1 . . . . . 730 Val CB . 27812 1
228 . 1 . 1 52 52 VAL N N 15 122.236 0.011 . 1 . . . . . 730 Val N . 27812 1
229 . 1 . 1 53 53 ASP H H 1 8.461 0.001 . 1 . . . . . 731 Asp H . 27812 1
230 . 1 . 1 53 53 ASP C C 13 176.242 0.005 . 1 . . . . . 731 Asp C . 27812 1
231 . 1 . 1 53 53 ASP CA C 13 54.357 0.006 . 1 . . . . . 731 Asp CA . 27812 1
232 . 1 . 1 53 53 ASP CB C 13 41.045 0.007 . 1 . . . . . 731 Asp CB . 27812 1
233 . 1 . 1 53 53 ASP N N 15 124.015 0.012 . 1 . . . . . 731 Asp N . 27812 1
234 . 1 . 1 54 54 LEU H H 1 8.284 0.002 . 1 . . . . . 732 Leu H . 27812 1
235 . 1 . 1 54 54 LEU C C 13 177.790 0.005 . 1 . . . . . 732 Leu C . 27812 1
236 . 1 . 1 54 54 LEU CA C 13 55.552 0.020 . 1 . . . . . 732 Leu CA . 27812 1
237 . 1 . 1 54 54 LEU CB C 13 42.191 0.027 . 1 . . . . . 732 Leu CB . 27812 1
238 . 1 . 1 54 54 LEU N N 15 123.411 0.223 . 1 . . . . . 732 Leu N . 27812 1
239 . 1 . 1 55 55 VAL H H 1 8.203 0.001 . 1 . . . . . 733 Val H . 27812 1
240 . 1 . 1 55 55 VAL C C 13 176.334 0.005 . 1 . . . . . 733 Val C . 27812 1
241 . 1 . 1 55 55 VAL CA C 13 63.045 0.010 . 1 . . . . . 733 Val CA . 27812 1
242 . 1 . 1 55 55 VAL CB C 13 32.489 0.036 . 1 . . . . . 733 Val CB . 27812 1
243 . 1 . 1 55 55 VAL N N 15 121.483 0.010 . 1 . . . . . 733 Val N . 27812 1
244 . 1 . 1 56 56 ASN H H 1 8.468 0.002 . 1 . . . . . 734 Asn H . 27812 1
245 . 1 . 1 56 56 ASN C C 13 175.917 0.009 . 1 . . . . . 734 Asn C . 27812 1
246 . 1 . 1 56 56 ASN CA C 13 53.604 0.011 . 1 . . . . . 734 Asn CA . 27812 1
247 . 1 . 1 56 56 ASN CB C 13 38.760 0.027 . 1 . . . . . 734 Asn CB . 27812 1
248 . 1 . 1 56 56 ASN N N 15 122.215 0.185 . 1 . . . . . 734 Asn N . 27812 1
249 . 1 . 1 57 57 GLU H H 1 8.576 0.003 . 1 . . . . . 735 Glu H . 27812 1
250 . 1 . 1 57 57 GLU C C 13 177.318 0.002 . 1 . . . . . 735 Glu C . 27812 1
251 . 1 . 1 57 57 GLU CA C 13 57.567 0.016 . 1 . . . . . 735 Glu CA . 27812 1
252 . 1 . 1 57 57 GLU CB C 13 30.204 0.083 . 1 . . . . . 735 Glu CB . 27812 1
253 . 1 . 1 57 57 GLU N N 15 122.484 0.251 . 1 . . . . . 735 Glu N . 27812 1
254 . 1 . 1 58 58 GLU H H 1 8.454 0.005 . 1 . . . . . 736 Glu H . 27812 1
255 . 1 . 1 58 58 GLU C C 13 177.304 0.005 . 1 . . . . . 736 Glu C . 27812 1
256 . 1 . 1 58 58 GLU CA C 13 57.416 0.029 . 1 . . . . . 736 Glu CA . 27812 1
257 . 1 . 1 58 58 GLU CB C 13 29.843 0.037 . 1 . . . . . 736 Glu CB . 27812 1
258 . 1 . 1 58 58 GLU N N 15 121.259 0.205 . 1 . . . . . 736 Glu N . 27812 1
259 . 1 . 1 59 59 LEU H H 1 8.133 0.002 . 1 . . . . . 737 Leu H . 27812 1
260 . 1 . 1 59 59 LEU C C 13 177.971 0.004 . 1 . . . . . 737 Leu C . 27812 1
261 . 1 . 1 59 59 LEU CA C 13 55.628 0.013 . 1 . . . . . 737 Leu CA . 27812 1
262 . 1 . 1 59 59 LEU CB C 13 41.958 0.011 . 1 . . . . . 737 Leu CB . 27812 1
263 . 1 . 1 59 59 LEU N N 15 121.837 0.014 . 1 . . . . . 737 Leu N . 27812 1
264 . 1 . 1 60 60 LYS H H 1 8.164 0.003 . 1 . . . . . 738 Lys H . 27812 1
265 . 1 . 1 60 60 LYS C C 13 177.499 0.026 . 1 . . . . . 738 Lys C . 27812 1
266 . 1 . 1 60 60 LYS CA C 13 57.067 0.004 . 1 . . . . . 738 Lys CA . 27812 1
267 . 1 . 1 60 60 LYS CB C 13 32.786 0.011 . 1 . . . . . 738 Lys CB . 27812 1
268 . 1 . 1 60 60 LYS N N 15 121.391 0.238 . 1 . . . . . 738 Lys N . 27812 1
269 . 1 . 1 61 61 GLY H H 1 8.382 0.002 . 1 . . . . . 739 Gly H . 27812 1
270 . 1 . 1 61 61 GLY C C 13 174.227 0.012 . 1 . . . . . 739 Gly C . 27812 1
271 . 1 . 1 61 61 GLY CA C 13 45.347 0.009 . 1 . . . . . 739 Gly CA . 27812 1
272 . 1 . 1 61 61 GLY N N 15 109.157 0.067 . 1 . . . . . 739 Gly N . 27812 1
273 . 1 . 1 62 62 LYS H H 1 8.099 0.002 . 1 . . . . . 740 Lys H . 27812 1
274 . 1 . 1 62 62 LYS C C 13 176.822 0.030 . 1 . . . . . 740 Lys C . 27812 1
275 . 1 . 1 62 62 LYS CA C 13 56.434 0.011 . 1 . . . . . 740 Lys CA . 27812 1
276 . 1 . 1 62 62 LYS CB C 13 33.130 0.005 . 1 . . . . . 740 Lys CB . 27812 1
277 . 1 . 1 62 62 LYS N N 15 121.138 0.037 . 1 . . . . . 740 Lys N . 27812 1
278 . 1 . 1 63 63 VAL H H 1 8.283 0.002 . 1 . . . . . 741 Val H . 27812 1
279 . 1 . 1 63 63 VAL C C 13 176.455 0.003 . 1 . . . . . 741 Val C . 27812 1
280 . 1 . 1 63 63 VAL CA C 13 62.599 0.005 . 1 . . . . . 741 Val CA . 27812 1
281 . 1 . 1 63 63 VAL CB C 13 32.574 0.052 . 1 . . . . . 741 Val CB . 27812 1
282 . 1 . 1 63 63 VAL N N 15 122.329 0.241 . 1 . . . . . 741 Val N . 27812 1
283 . 1 . 1 64 64 LEU H H 1 8.501 0.001 . 1 . . . . . 742 Leu H . 27812 1
284 . 1 . 1 64 64 LEU C C 13 177.967 0.002 . 1 . . . . . 742 Leu C . 27812 1
285 . 1 . 1 64 64 LEU CA C 13 55.309 0.018 . 1 . . . . . 742 Leu CA . 27812 1
286 . 1 . 1 64 64 LEU CB C 13 42.345 0.016 . 1 . . . . . 742 Leu CB . 27812 1
287 . 1 . 1 64 64 LEU N N 15 126.640 0.013 . 1 . . . . . 742 Leu N . 27812 1
288 . 1 . 1 65 65 GLY H H 1 8.460 0.001 . 1 . . . . . 743 Gly H . 27812 1
289 . 1 . 1 65 65 GLY C C 13 174.093 0.013 . 1 . . . . . 743 Gly C . 27812 1
290 . 1 . 1 65 65 GLY CA C 13 45.287 0.003 . 1 . . . . . 743 Gly CA . 27812 1
291 . 1 . 1 65 65 GLY N N 15 109.600 0.012 . 1 . . . . . 743 Gly N . 27812 1
292 . 1 . 1 66 66 LEU H H 1 8.183 0.001 . 1 . . . . . 744 Leu H . 27812 1
293 . 1 . 1 66 66 LEU C C 13 177.686 0.020 . 1 . . . . . 744 Leu C . 27812 1
294 . 1 . 1 66 66 LEU CA C 13 55.045 0.032 . 1 . . . . . 744 Leu CA . 27812 1
295 . 1 . 1 66 66 LEU CB C 13 42.501 0.028 . 1 . . . . . 744 Leu CB . 27812 1
296 . 1 . 1 66 66 LEU N N 15 121.640 0.004 . 1 . . . . . 744 Leu N . 27812 1
297 . 1 . 1 67 67 SER H H 1 8.457 0.001 . 1 . . . . . 745 Ser H . 27812 1
298 . 1 . 1 67 67 SER C C 13 174.369 0.000 . 1 . . . . . 745 Ser C . 27812 1
299 . 1 . 1 67 67 SER CA C 13 58.347 0.054 . 1 . . . . . 745 Ser CA . 27812 1
300 . 1 . 1 67 67 SER CB C 13 63.681 0.029 . 1 . . . . . 745 Ser CB . 27812 1
301 . 1 . 1 67 67 SER N N 15 117.122 0.029 . 1 . . . . . 745 Ser N . 27812 1
302 . 1 . 1 68 68 ARG H H 1 8.444 0.003 . 1 . . . . . 746 Arg H . 27812 1
303 . 1 . 1 68 68 ARG C C 13 175.714 0.014 . 1 . . . . . 746 Arg C . 27812 1
304 . 1 . 1 68 68 ARG CA C 13 55.653 0.017 . 1 . . . . . 746 Arg CA . 27812 1
305 . 1 . 1 68 68 ARG CB C 13 31.022 0.005 . 1 . . . . . 746 Arg CB . 27812 1
306 . 1 . 1 68 68 ARG N N 15 123.428 0.204 . 1 . . . . . 746 Arg N . 27812 1
307 . 1 . 1 69 69 ASP H H 1 8.540 0.001 . 1 . . . . . 747 Asp H . 27812 1
308 . 1 . 1 69 69 ASP C C 13 174.892 0.000 . 1 . . . . . 747 Asp C . 27812 1
309 . 1 . 1 69 69 ASP CA C 13 52.203 0.000 . 1 . . . . . 747 Asp CA . 27812 1
310 . 1 . 1 69 69 ASP CB C 13 41.018 0.000 . 1 . . . . . 747 Asp CB . 27812 1
311 . 1 . 1 69 69 ASP N N 15 123.985 0.021 . 1 . . . . . 747 Asp N . 27812 1
312 . 1 . 1 70 70 PRO C C 13 176.954 0.000 . 1 . . . . . 748 Pro C . 27812 1
313 . 1 . 1 70 70 PRO CA C 13 63.467 0.042 . 1 . . . . . 748 Pro CA . 27812 1
314 . 1 . 1 70 70 PRO CB C 13 32.082 0.000 . 1 . . . . . 748 Pro CB . 27812 1
315 . 1 . 1 71 71 ALA H H 1 8.457 0.001 . 1 . . . . . 749 Ala H . 27812 1
316 . 1 . 1 71 71 ALA C C 13 178.046 0.002 . 1 . . . . . 749 Ala C . 27812 1
317 . 1 . 1 71 71 ALA CA C 13 52.589 0.000 . 1 . . . . . 749 Ala CA . 27812 1
318 . 1 . 1 71 71 ALA CB C 13 19.044 0.008 . 1 . . . . . 749 Ala CB . 27812 1
319 . 1 . 1 71 71 ALA N N 15 122.980 0.116 . 1 . . . . . 749 Ala N . 27812 1
320 . 1 . 1 72 72 LYS H H 1 8.103 0.002 . 1 . . . . . 750 Lys H . 27812 1
321 . 1 . 1 72 72 LYS C C 13 176.668 0.025 . 1 . . . . . 750 Lys C . 27812 1
322 . 1 . 1 72 72 LYS CA C 13 56.062 0.022 . 1 . . . . . 750 Lys CA . 27812 1
323 . 1 . 1 72 72 LYS CB C 13 33.100 0.003 . 1 . . . . . 750 Lys CB . 27812 1
324 . 1 . 1 72 72 LYS N N 15 120.928 0.225 . 1 . . . . . 750 Lys N . 27812 1
325 . 1 . 1 73 73 VAL H H 1 8.244 0.001 . 1 . . . . . 751 Val H . 27812 1
326 . 1 . 1 73 73 VAL C C 13 175.993 0.011 . 1 . . . . . 751 Val C . 27812 1
327 . 1 . 1 73 73 VAL CA C 13 62.431 0.005 . 1 . . . . . 751 Val CA . 27812 1
328 . 1 . 1 73 73 VAL CB C 13 32.753 0.026 . 1 . . . . . 751 Val CB . 27812 1
329 . 1 . 1 73 73 VAL N N 15 122.956 0.235 . 1 . . . . . 751 Val N . 27812 1
330 . 1 . 1 74 74 ALA H H 1 8.503 0.001 . 1 . . . . . 752 Ala H . 27812 1
331 . 1 . 1 74 74 ALA C C 13 177.845 0.005 . 1 . . . . . 752 Ala C . 27812 1
332 . 1 . 1 74 74 ALA CA C 13 52.547 0.013 . 1 . . . . . 752 Ala CA . 27812 1
333 . 1 . 1 74 74 ALA CB C 13 19.259 0.029 . 1 . . . . . 752 Ala CB . 27812 1
334 . 1 . 1 74 74 ALA N N 15 127.886 0.011 . 1 . . . . . 752 Ala N . 27812 1
335 . 1 . 1 75 75 GLU H H 1 8.507 0.001 . 1 . . . . . 753 Glu H . 27812 1
336 . 1 . 1 75 75 GLU C C 13 176.799 0.006 . 1 . . . . . 753 Glu C . 27812 1
337 . 1 . 1 75 75 GLU CA C 13 56.658 0.131 . 1 . . . . . 753 Glu CA . 27812 1
338 . 1 . 1 75 75 GLU CB C 13 30.281 0.006 . 1 . . . . . 753 Glu CB . 27812 1
339 . 1 . 1 75 75 GLU N N 15 120.752 0.010 . 1 . . . . . 753 Glu N . 27812 1
340 . 1 . 1 76 76 GLU H H 1 8.534 0.003 . 1 . . . . . 754 Glu H . 27812 1
341 . 1 . 1 76 76 GLU C C 13 176.264 0.026 . 1 . . . . . 754 Glu C . 27812 1
342 . 1 . 1 76 76 GLU CA C 13 56.570 0.047 . 1 . . . . . 754 Glu CA . 27812 1
343 . 1 . 1 76 76 GLU CB C 13 30.351 0.025 . 1 . . . . . 754 Glu CB . 27812 1
344 . 1 . 1 76 76 GLU N N 15 121.298 0.252 . 1 . . . . . 754 Glu N . 27812 1
345 . 1 . 1 77 77 ASP H H 1 8.468 0.002 . 1 . . . . . 755 Asp H . 27812 1
346 . 1 . 1 77 77 ASP C C 13 176.335 0.000 . 1 . . . . . 755 Asp C . 27812 1
347 . 1 . 1 77 77 ASP CA C 13 54.338 0.009 . 1 . . . . . 755 Asp CA . 27812 1
348 . 1 . 1 77 77 ASP CB C 13 41.262 0.025 . 1 . . . . . 755 Asp CB . 27812 1
349 . 1 . 1 77 77 ASP N N 15 121.726 0.226 . 1 . . . . . 755 Asp N . 27812 1
350 . 1 . 1 78 78 GLU H H 1 8.426 0.001 . 1 . . . . . 756 Glu H . 27812 1
351 . 1 . 1 78 78 GLU C C 13 176.304 0.000 . 1 . . . . . 756 Glu C . 27812 1
352 . 1 . 1 78 78 GLU CA C 13 56.315 0.197 . 1 . . . . . 756 Glu CA . 27812 1
353 . 1 . 1 78 78 GLU CB C 13 30.562 0.012 . 1 . . . . . 756 Glu CB . 27812 1
354 . 1 . 1 78 78 GLU N N 15 121.778 0.008 . 1 . . . . . 756 Glu N . 27812 1
355 . 1 . 1 79 79 ASP H H 1 8.535 0.007 . 1 . . . . . 757 Asp H . 27812 1
356 . 1 . 1 79 79 ASP C C 13 176.084 0.000 . 1 . . . . . 757 Asp C . 27812 1
357 . 1 . 1 79 79 ASP CA C 13 54.321 0.015 . 1 . . . . . 757 Asp CA . 27812 1
358 . 1 . 1 79 79 ASP CB C 13 41.304 0.018 . 1 . . . . . 757 Asp CB . 27812 1
359 . 1 . 1 79 79 ASP N N 15 121.947 0.235 . 1 . . . . . 757 Asp N . 27812 1
360 . 1 . 1 80 80 ASP H H 1 8.388 0.001 . 1 . . . . . 758 Asp H . 27812 1
361 . 1 . 1 80 80 ASP C C 13 176.344 0.016 . 1 . . . . . 758 Asp C . 27812 1
362 . 1 . 1 80 80 ASP CA C 13 54.340 0.015 . 1 . . . . . 758 Asp CA . 27812 1
363 . 1 . 1 80 80 ASP CB C 13 41.369 0.012 . 1 . . . . . 758 Asp CB . 27812 1
364 . 1 . 1 80 80 ASP N N 15 121.595 0.024 . 1 . . . . . 758 Asp N . 27812 1
365 . 1 . 1 81 81 ASP H H 1 8.482 0.002 . 1 . . . . . 759 Asp H . 27812 1
366 . 1 . 1 81 81 ASP C C 13 177.411 0.014 . 1 . . . . . 759 Asp C . 27812 1
367 . 1 . 1 81 81 ASP CA C 13 54.382 0.014 . 1 . . . . . 759 Asp CA . 27812 1
368 . 1 . 1 81 81 ASP CB C 13 41.039 0.037 . 1 . . . . . 759 Asp CB . 27812 1
369 . 1 . 1 81 81 ASP N N 15 121.998 0.248 . 1 . . . . . 759 Asp N . 27812 1
370 . 1 . 1 82 82 GLY H H 1 8.587 0.000 . 1 . . . . . 760 Gly H . 27812 1
371 . 1 . 1 82 82 GLY C C 13 175.279 0.004 . 1 . . . . . 760 Gly C . 27812 1
372 . 1 . 1 82 82 GLY CA C 13 45.845 0.010 . 1 . . . . . 760 Gly CA . 27812 1
373 . 1 . 1 82 82 GLY N N 15 109.648 0.003 . 1 . . . . . 760 Gly N . 27812 1
374 . 1 . 1 83 83 GLY H H 1 8.428 0.003 . 1 . . . . . 761 Gly H . 27812 1
375 . 1 . 1 83 83 GLY C C 13 174.617 0.013 . 1 . . . . . 761 Gly C . 27812 1
376 . 1 . 1 83 83 GLY CA C 13 45.481 0.028 . 1 . . . . . 761 Gly CA . 27812 1
377 . 1 . 1 83 83 GLY N N 15 109.272 0.213 . 1 . . . . . 761 Gly N . 27812 1
378 . 1 . 1 84 84 ILE H H 1 8.027 0.002 . 1 . . . . . 762 Ile H . 27812 1
379 . 1 . 1 84 84 ILE C C 13 176.952 0.001 . 1 . . . . . 762 Ile C . 27812 1
380 . 1 . 1 84 84 ILE CA C 13 62.010 0.014 . 1 . . . . . 762 Ile CA . 27812 1
381 . 1 . 1 84 84 ILE CB C 13 38.456 0.004 . 1 . . . . . 762 Ile CB . 27812 1
382 . 1 . 1 84 84 ILE N N 15 120.416 0.182 . 1 . . . . . 762 Ile N . 27812 1
383 . 1 . 1 85 85 MET H H 1 8.601 0.000 . 1 . . . . . 763 Met H . 27812 1
384 . 1 . 1 85 85 MET C C 13 176.713 0.015 . 1 . . . . . 763 Met C . 27812 1
385 . 1 . 1 85 85 MET CA C 13 55.747 0.111 . 1 . . . . . 763 Met CA . 27812 1
386 . 1 . 1 85 85 MET CB C 13 32.290 0.011 . 1 . . . . . 763 Met CB . 27812 1
387 . 1 . 1 85 85 MET N N 15 123.562 0.014 . 1 . . . . . 763 Met N . 27812 1
388 . 1 . 1 86 86 MET H H 1 8.410 0.006 . 1 . . . . . 764 Met H . 27812 1
389 . 1 . 1 86 86 MET C C 13 176.519 0.013 . 1 . . . . . 764 Met C . 27812 1
390 . 1 . 1 86 86 MET CA C 13 55.689 0.033 . 1 . . . . . 764 Met CA . 27812 1
391 . 1 . 1 86 86 MET CB C 13 32.512 0.085 . 1 . . . . . 764 Met CB . 27812 1
392 . 1 . 1 86 86 MET N N 15 122.020 0.296 . 1 . . . . . 764 Met N . 27812 1
393 . 1 . 1 87 87 ARG H H 1 8.367 0.002 . 1 . . . . . 765 Arg H . 27812 1
394 . 1 . 1 87 87 ARG C C 13 176.587 0.012 . 1 . . . . . 765 Arg C . 27812 1
395 . 1 . 1 87 87 ARG CA C 13 56.339 0.007 . 1 . . . . . 765 Arg CA . 27812 1
396 . 1 . 1 87 87 ARG CB C 13 30.808 0.135 . 1 . . . . . 765 Arg CB . 27812 1
397 . 1 . 1 87 87 ARG N N 15 122.400 0.015 . 1 . . . . . 765 Arg N . 27812 1
398 . 1 . 1 88 88 SER H H 1 8.460 0.002 . 1 . . . . . 766 Ser H . 27812 1
399 . 1 . 1 88 88 SER C C 13 174.672 0.000 . 1 . . . . . 766 Ser C . 27812 1
400 . 1 . 1 88 88 SER CA C 13 58.540 0.019 . 1 . . . . . 766 Ser CA . 27812 1
401 . 1 . 1 88 88 SER CB C 13 63.784 0.116 . 1 . . . . . 766 Ser CB . 27812 1
402 . 1 . 1 88 88 SER N N 15 117.657 0.299 . 1 . . . . . 766 Ser N . 27812 1
403 . 1 . 1 89 89 LYS H H 1 8.459 0.005 . 1 . . . . . 767 Lys H . 27812 1
404 . 1 . 1 89 89 LYS C C 13 176.785 0.004 . 1 . . . . . 767 Lys C . 27812 1
405 . 1 . 1 89 89 LYS CA C 13 56.425 0.178 . 1 . . . . . 767 Lys CA . 27812 1
406 . 1 . 1 89 89 LYS CB C 13 33.128 0.071 . 1 . . . . . 767 Lys CB . 27812 1
407 . 1 . 1 89 89 LYS N N 15 123.559 0.161 . 1 . . . . . 767 Lys N . 27812 1
408 . 1 . 1 90 90 GLU H H 1 8.560 0.005 . 1 . . . . . 768 Glu H . 27812 1
409 . 1 . 1 90 90 GLU C C 13 176.701 0.013 . 1 . . . . . 768 Glu C . 27812 1
410 . 1 . 1 90 90 GLU CA C 13 56.777 0.012 . 1 . . . . . 768 Glu CA . 27812 1
411 . 1 . 1 90 90 GLU CB C 13 30.248 0.015 . 1 . . . . . 768 Glu CB . 27812 1
412 . 1 . 1 90 90 GLU N N 15 122.203 0.265 . 1 . . . . . 768 Glu N . 27812 1
413 . 1 . 1 91 91 THR H H 1 8.218 0.001 . 1 . . . . . 769 Thr H . 27812 1
414 . 1 . 1 91 91 THR C C 13 174.367 0.018 . 1 . . . . . 769 Thr C . 27812 1
415 . 1 . 1 91 91 THR CA C 13 61.311 0.033 . 1 . . . . . 769 Thr CA . 27812 1
416 . 1 . 1 91 91 THR CB C 13 69.895 0.029 . 1 . . . . . 769 Thr CB . 27812 1
417 . 1 . 1 91 91 THR N N 15 114.795 0.228 . 1 . . . . . 769 Thr N . 27812 1
418 . 1 . 1 92 92 SER H H 1 8.479 0.001 . 1 . . . . . 770 Ser H . 27812 1
419 . 1 . 1 92 92 SER C C 13 174.154 0.032 . 1 . . . . . 770 Ser C . 27812 1
420 . 1 . 1 92 92 SER CA C 13 58.125 0.007 . 1 . . . . . 770 Ser CA . 27812 1
421 . 1 . 1 92 92 SER CB C 13 64.026 0.028 . 1 . . . . . 770 Ser CB . 27812 1
422 . 1 . 1 92 92 SER N N 15 118.529 0.181 . 1 . . . . . 770 Ser N . 27812 1
423 . 1 . 1 93 93 SEP H H 1 8.887 0.002 . 1 . . . . . 771 Sep H . 27812 1
424 . 1 . 1 93 93 SEP C C 13 172.702 0.000 . 1 . . . . . 771 Sep C . 27812 1
425 . 1 . 1 93 93 SEP CA C 13 55.999 0.000 . 1 . . . . . 771 Sep CA . 27812 1
426 . 1 . 1 93 93 SEP CB C 13 64.734 0.000 . 1 . . . . . 771 Sep CB . 27812 1
427 . 1 . 1 93 93 SEP N N 15 120.478 0.009 . 1 . . . . . 771 Sep N . 27812 1
428 . 1 . 1 94 94 PRO C C 13 177.650 0.000 . 1 . . . . . 772 Pro C . 27812 1
429 . 1 . 1 94 94 PRO CA C 13 63.849 0.008 . 1 . . . . . 772 Pro CA . 27812 1
430 . 1 . 1 94 94 PRO CB C 13 32.150 0.034 . 1 . . . . . 772 Pro CB . 27812 1
431 . 1 . 1 95 95 GLY H H 1 8.656 0.001 . 1 . . . . . 773 Gly H . 27812 1
432 . 1 . 1 95 95 GLY C C 13 174.605 0.012 . 1 . . . . . 773 Gly C . 27812 1
433 . 1 . 1 95 95 GLY CA C 13 45.272 0.005 . 1 . . . . . 773 Gly CA . 27812 1
434 . 1 . 1 95 95 GLY N N 15 109.641 0.008 . 1 . . . . . 773 Gly N . 27812 1
435 . 1 . 1 96 96 THR H H 1 8.197 0.001 . 1 . . . . . 774 Thr H . 27812 1
436 . 1 . 1 96 96 THR C C 13 174.530 0.029 . 1 . . . . . 774 Thr C . 27812 1
437 . 1 . 1 96 96 THR CA C 13 61.854 0.019 . 1 . . . . . 774 Thr CA . 27812 1
438 . 1 . 1 96 96 THR CB C 13 69.770 0.030 . 1 . . . . . 774 Thr CB . 27812 1
439 . 1 . 1 96 96 THR N N 15 113.832 0.207 . 1 . . . . . 774 Thr N . 27812 1
440 . 1 . 1 97 97 ASP H H 1 8.523 0.001 . 1 . . . . . 775 Asp H . 27812 1
441 . 1 . 1 97 97 ASP C C 13 175.893 0.007 . 1 . . . . . 775 Asp C . 27812 1
442 . 1 . 1 97 97 ASP CA C 13 54.376 0.009 . 1 . . . . . 775 Asp CA . 27812 1
443 . 1 . 1 97 97 ASP CB C 13 41.108 0.014 . 1 . . . . . 775 Asp CB . 27812 1
444 . 1 . 1 97 97 ASP N N 15 122.707 0.021 . 1 . . . . . 775 Asp N . 27812 1
445 . 1 . 1 98 98 ASP H H 1 8.283 0.001 . 1 . . . . . 776 Asp H . 27812 1
446 . 1 . 1 98 98 ASP C C 13 175.723 0.005 . 1 . . . . . 776 Asp C . 27812 1
447 . 1 . 1 98 98 ASP CA C 13 54.418 0.018 . 1 . . . . . 776 Asp CA . 27812 1
448 . 1 . 1 98 98 ASP CB C 13 41.181 0.036 . 1 . . . . . 776 Asp CB . 27812 1
449 . 1 . 1 98 98 ASP N N 15 120.984 0.034 . 1 . . . . . 776 Asp N . 27812 1
450 . 1 . 1 99 99 VAL H H 1 8.076 0.002 . 1 . . . . . 777 Val H . 27812 1
451 . 1 . 1 99 99 VAL C C 13 175.593 0.004 . 1 . . . . . 777 Val C . 27812 1
452 . 1 . 1 99 99 VAL CA C 13 61.881 0.017 . 1 . . . . . 777 Val CA . 27812 1
453 . 1 . 1 99 99 VAL CB C 13 32.898 0.024 . 1 . . . . . 777 Val CB . 27812 1
454 . 1 . 1 99 99 VAL N N 15 120.217 0.005 . 1 . . . . . 777 Val N . 27812 1
455 . 1 . 1 100 100 PHE H H 1 8.240 0.008 . 1 . . . . . 778 Phe H . 27812 1
456 . 1 . 1 100 100 PHE C C 13 175.200 0.012 . 1 . . . . . 778 Phe C . 27812 1
457 . 1 . 1 100 100 PHE CA C 13 56.878 0.003 . 1 . . . . . 778 Phe CA . 27812 1
458 . 1 . 1 100 100 PHE CB C 13 40.251 0.016 . 1 . . . . . 778 Phe CB . 27812 1
459 . 1 . 1 100 100 PHE N N 15 124.345 0.185 . 1 . . . . . 778 Phe N . 27812 1
460 . 1 . 1 101 101 TPO H H 1 9.247 0.025 . 1 . . . . . 779 Tpo H . 27812 1
461 . 1 . 1 101 101 TPO C C 13 172.061 0.000 . 1 . . . . . 779 Tpo C . 27812 1
462 . 1 . 1 101 101 TPO CA C 13 60.341 0.000 . 1 . . . . . 779 Tpo CA . 27812 1
463 . 1 . 1 101 101 TPO CB C 13 72.718 0.000 . 1 . . . . . 779 Tpo CB . 27812 1
464 . 1 . 1 101 101 TPO N N 15 123.341 0.198 . 1 . . . . . 779 Tpo N . 27812 1
465 . 1 . 1 102 102 PRO C C 13 176.241 0.011 . 1 . . . . . 780 Pro C . 27812 1
466 . 1 . 1 102 102 PRO CA C 13 62.938 0.032 . 1 . . . . . 780 Pro CA . 27812 1
467 . 1 . 1 102 102 PRO CB C 13 32.222 0.009 . 1 . . . . . 780 Pro CB . 27812 1
468 . 1 . 1 103 103 ALA H H 1 8.595 0.002 . 1 . . . . . 781 Ala H . 27812 1
469 . 1 . 1 103 103 ALA C C 13 175.767 0.000 . 1 . . . . . 781 Ala C . 27812 1
470 . 1 . 1 103 103 ALA CA C 13 50.372 0.000 . 1 . . . . . 781 Ala CA . 27812 1
471 . 1 . 1 103 103 ALA CB C 13 17.881 0.000 . 1 . . . . . 781 Ala CB . 27812 1
472 . 1 . 1 103 103 ALA N N 15 126.510 0.224 . 1 . . . . . 781 Ala N . 27812 1
473 . 1 . 1 104 104 PRO C C 13 176.909 0.016 . 1 . . . . . 782 Pro C . 27812 1
474 . 1 . 1 104 104 PRO CA C 13 63.053 0.001 . 1 . . . . . 782 Pro CA . 27812 1
475 . 1 . 1 104 104 PRO CB C 13 32.172 0.002 . 1 . . . . . 782 Pro CB . 27812 1
476 . 1 . 1 105 105 SER H H 1 8.528 0.002 . 1 . . . . . 783 Ser H . 27812 1
477 . 1 . 1 105 105 SER C C 13 174.368 0.002 . 1 . . . . . 783 Ser C . 27812 1
478 . 1 . 1 105 105 SER CA C 13 58.038 0.271 . 1 . . . . . 783 Ser CA . 27812 1
479 . 1 . 1 105 105 SER CB C 13 63.924 0.014 . 1 . . . . . 783 Ser CB . 27812 1
480 . 1 . 1 105 105 SER N N 15 116.491 0.525 . 1 . . . . . 783 Ser N . 27812 1
481 . 1 . 1 106 106 ASP H H 1 8.466 0.006 . 1 . . . . . 784 Asp H . 27812 1
482 . 1 . 1 106 106 ASP C C 13 175.994 0.009 . 1 . . . . . 784 Asp C . 27812 1
483 . 1 . 1 106 106 ASP CA C 13 53.951 0.003 . 1 . . . . . 784 Asp CA . 27812 1
484 . 1 . 1 106 106 ASP CB C 13 41.259 0.026 . 1 . . . . . 784 Asp CB . 27812 1
485 . 1 . 1 106 106 ASP N N 15 122.979 0.145 . 1 . . . . . 784 Asp N . 27812 1
486 . 1 . 1 107 107 SEP H H 1 8.675 0.001 . 1 . . . . . 785 Sep H . 27812 1
487 . 1 . 1 107 107 SEP C C 13 173.659 0.000 . 1 . . . . . 785 Sep C . 27812 1
488 . 1 . 1 107 107 SEP CA C 13 55.791 0.000 . 1 . . . . . 785 Sep CA . 27812 1
489 . 1 . 1 107 107 SEP CB C 13 65.056 0.000 . 1 . . . . . 785 Sep CB . 27812 1
490 . 1 . 1 107 107 SEP N N 15 118.034 0.009 . 1 . . . . . 785 Sep N . 27812 1
491 . 1 . 1 108 108 PRO C C 13 178.245 0.013 . 1 . . . . . 786 Pro C . 27812 1
492 . 1 . 1 108 108 PRO CA C 13 64.680 0.017 . 1 . . . . . 786 Pro CA . 27812 1
493 . 1 . 1 108 108 PRO CB C 13 32.040 0.024 . 1 . . . . . 786 Pro CB . 27812 1
494 . 1 . 1 109 109 SER H H 1 8.571 0.001 . 1 . . . . . 787 Ser H . 27812 1
495 . 1 . 1 109 109 SER C C 13 175.629 0.000 . 1 . . . . . 787 Ser C . 27812 1
496 . 1 . 1 109 109 SER CA C 13 60.048 0.049 . 1 . . . . . 787 Ser CA . 27812 1
497 . 1 . 1 109 109 SER CB C 13 62.727 0.017 . 1 . . . . . 787 Ser CB . 27812 1
498 . 1 . 1 109 109 SER N N 15 114.891 0.036 . 1 . . . . . 787 Ser N . 27812 1
499 . 1 . 1 110 110 SER H H 1 8.085 0.001 . 1 . . . . . 788 Ser H . 27812 1
500 . 1 . 1 110 110 SER C C 13 175.095 0.000 . 1 . . . . . 788 Ser C . 27812 1
501 . 1 . 1 110 110 SER CA C 13 59.613 0.057 . 1 . . . . . 788 Ser CA . 27812 1
502 . 1 . 1 110 110 SER CB C 13 63.589 0.068 . 1 . . . . . 788 Ser CB . 27812 1
503 . 1 . 1 110 110 SER N N 15 117.908 0.003 . 1 . . . . . 788 Ser N . 27812 1
504 . 1 . 1 111 111 GLN H H 1 8.196 0.002 . 1 . . . . . 789 Gln H . 27812 1
505 . 1 . 1 111 111 GLN C C 13 176.329 0.000 . 1 . . . . . 789 Gln C . 27812 1
506 . 1 . 1 111 111 GLN CA C 13 56.328 0.010 . 1 . . . . . 789 Gln CA . 27812 1
507 . 1 . 1 111 111 GLN CB C 13 29.118 0.011 . 1 . . . . . 789 Gln CB . 27812 1
508 . 1 . 1 111 111 GLN N N 15 121.546 0.244 . 1 . . . . . 789 Gln N . 27812 1
509 . 1 . 1 112 112 ARG H H 1 8.225 0.004 . 1 . . . . . 790 Arg H . 27812 1
510 . 1 . 1 112 112 ARG C C 13 176.661 0.002 . 1 . . . . . 790 Arg C . 27812 1
511 . 1 . 1 112 112 ARG CA C 13 56.752 0.028 . 1 . . . . . 790 Arg CA . 27812 1
512 . 1 . 1 112 112 ARG CB C 13 30.592 0.007 . 1 . . . . . 790 Arg CB . 27812 1
513 . 1 . 1 112 112 ARG N N 15 121.839 0.274 . 1 . . . . . 790 Arg N . 27812 1
514 . 1 . 1 113 113 ILE H H 1 8.188 0.002 . 1 . . . . . 791 Ile H . 27812 1
515 . 1 . 1 113 113 ILE C C 13 176.569 0.000 . 1 . . . . . 791 Ile C . 27812 1
516 . 1 . 1 113 113 ILE CA C 13 61.539 0.040 . 1 . . . . . 791 Ile CA . 27812 1
517 . 1 . 1 113 113 ILE CB C 13 38.526 0.006 . 1 . . . . . 791 Ile CB . 27812 1
518 . 1 . 1 113 113 ILE N N 15 122.093 0.016 . 1 . . . . . 791 Ile N . 27812 1
519 . 1 . 1 114 114 GLN H H 1 8.508 0.003 . 1 . . . . . 792 Gln H . 27812 1
520 . 1 . 1 114 114 GLN C C 13 176.143 0.006 . 1 . . . . . 792 Gln C . 27812 1
521 . 1 . 1 114 114 GLN CA C 13 56.046 0.038 . 1 . . . . . 792 Gln CA . 27812 1
522 . 1 . 1 114 114 GLN CB C 13 29.324 0.027 . 1 . . . . . 792 Gln CB . 27812 1
523 . 1 . 1 114 114 GLN N N 15 124.546 0.034 . 1 . . . . . 792 Gln N . 27812 1
524 . 1 . 1 115 115 ARG H H 1 8.491 0.001 . 1 . . . . . 793 Arg H . 27812 1
525 . 1 . 1 115 115 ARG C C 13 176.275 0.011 . 1 . . . . . 793 Arg C . 27812 1
526 . 1 . 1 115 115 ARG CA C 13 56.430 0.014 . 1 . . . . . 793 Arg CA . 27812 1
527 . 1 . 1 115 115 ARG CB C 13 30.664 0.003 . 1 . . . . . 793 Arg CB . 27812 1
528 . 1 . 1 115 115 ARG N N 15 123.103 0.011 . 1 . . . . . 793 Arg N . 27812 1
529 . 1 . 1 116 116 CYS H H 1 8.532 0.002 . 1 . . . . . 794 Cys H . 27812 1
530 . 1 . 1 116 116 CYS C C 13 175.050 0.001 . 1 . . . . . 794 Cys C . 27812 1
531 . 1 . 1 116 116 CYS CA C 13 58.766 0.024 . 1 . . . . . 794 Cys CA . 27812 1
532 . 1 . 1 116 116 CYS CB C 13 27.838 0.014 . 1 . . . . . 794 Cys CB . 27812 1
533 . 1 . 1 116 116 CYS N N 15 120.945 0.126 . 1 . . . . . 794 Cys N . 27812 1
534 . 1 . 1 117 117 LEU H H 1 8.516 0.001 . 1 . . . . . 795 Leu H . 27812 1
535 . 1 . 1 117 117 LEU C C 13 177.502 0.000 . 1 . . . . . 795 Leu C . 27812 1
536 . 1 . 1 117 117 LEU CA C 13 55.660 0.006 . 1 . . . . . 795 Leu CA . 27812 1
537 . 1 . 1 117 117 LEU CB C 13 42.145 0.032 . 1 . . . . . 795 Leu CB . 27812 1
538 . 1 . 1 117 117 LEU N N 15 125.079 0.010 . 1 . . . . . 795 Leu N . 27812 1
539 . 1 . 1 118 118 SER H H 1 8.232 0.004 . 1 . . . . . 796 Ser H . 27812 1
540 . 1 . 1 118 118 SER C C 13 173.852 0.006 . 1 . . . . . 796 Ser C . 27812 1
541 . 1 . 1 118 118 SER CA C 13 58.238 0.006 . 1 . . . . . 796 Ser CA . 27812 1
542 . 1 . 1 118 118 SER CB C 13 63.712 0.022 . 1 . . . . . 796 Ser CB . 27812 1
543 . 1 . 1 118 118 SER N N 15 115.594 0.031 . 1 . . . . . 796 Ser N . 27812 1
544 . 1 . 1 119 119 ASP H H 1 8.283 0.001 . 1 . . . . . 797 Asp H . 27812 1
545 . 1 . 1 119 119 ASP C C 13 174.540 0.000 . 1 . . . . . 797 Asp C . 27812 1
546 . 1 . 1 119 119 ASP CA C 13 52.396 0.000 . 1 . . . . . 797 Asp CA . 27812 1
547 . 1 . 1 119 119 ASP CB C 13 41.119 0.000 . 1 . . . . . 797 Asp CB . 27812 1
548 . 1 . 1 119 119 ASP N N 15 123.801 0.004 . 1 . . . . . 797 Asp N . 27812 1
549 . 1 . 1 120 120 PRO C C 13 177.335 0.000 . 1 . . . . . 798 Pro C . 27812 1
550 . 1 . 1 120 120 PRO CA C 13 63.490 0.002 . 1 . . . . . 798 Pro CA . 27812 1
551 . 1 . 1 120 120 PRO CB C 13 32.421 0.041 . 1 . . . . . 798 Pro CB . 27812 1
552 . 1 . 1 121 121 GLY H H 1 8.390 0.001 . 1 . . . . . 799 Gly H . 27812 1
553 . 1 . 1 121 121 GLY C C 13 171.556 0.000 . 1 . . . . . 799 Gly C . 27812 1
554 . 1 . 1 121 121 GLY CA C 13 44.428 0.000 . 1 . . . . . 799 Gly CA . 27812 1
555 . 1 . 1 121 121 GLY N N 15 109.393 0.181 . 1 . . . . . 799 Gly N . 27812 1
556 . 1 . 1 122 122 PRO C C 13 176.815 0.005 . 1 . . . . . 800 Pro C . 27812 1
557 . 1 . 1 122 122 PRO CA C 13 62.918 0.021 . 1 . . . . . 800 Pro CA . 27812 1
558 . 1 . 1 122 122 PRO CB C 13 32.109 0.024 . 1 . . . . . 800 Pro CB . 27812 1
559 . 1 . 1 123 123 HIS H H 1 8.601 0.010 . 1 . . . . . 801 His H . 27812 1
560 . 1 . 1 123 123 HIS C C 13 172.736 0.000 . 1 . . . . . 801 His C . 27812 1
561 . 1 . 1 123 123 HIS CA C 13 53.766 0.000 . 1 . . . . . 801 His CA . 27812 1
562 . 1 . 1 123 123 HIS CB C 13 29.503 0.000 . 1 . . . . . 801 His CB . 27812 1
563 . 1 . 1 123 123 HIS N N 15 120.723 0.187 . 1 . . . . . 801 His N . 27812 1
564 . 1 . 1 126 126 PRO C C 13 177.638 0.000 . 1 . . . . . 804 Pro C . 27812 1
565 . 1 . 1 126 126 PRO CA C 13 63.548 0.005 . 1 . . . . . 804 Pro CA . 27812 1
566 . 1 . 1 126 126 PRO CB C 13 32.074 0.003 . 1 . . . . . 804 Pro CB . 27812 1
567 . 1 . 1 127 127 GLY H H 1 8.630 0.001 . 1 . . . . . 805 Gly H . 27812 1
568 . 1 . 1 127 127 GLY C C 13 174.197 0.017 . 1 . . . . . 805 Gly C . 27812 1
569 . 1 . 1 127 127 GLY CA C 13 44.992 0.010 . 1 . . . . . 805 Gly CA . 27812 1
570 . 1 . 1 127 127 GLY N N 15 110.050 0.014 . 1 . . . . . 805 Gly N . 27812 1
571 . 1 . 1 128 128 GLU H H 1 8.343 0.001 . 1 . . . . . 806 Glu H . 27812 1
572 . 1 . 1 128 128 GLU C C 13 177.156 0.013 . 1 . . . . . 806 Glu C . 27812 1
573 . 1 . 1 128 128 GLU CA C 13 56.700 0.017 . 1 . . . . . 806 Glu CA . 27812 1
574 . 1 . 1 128 128 GLU CB C 13 30.268 0.006 . 1 . . . . . 806 Glu CB . 27812 1
575 . 1 . 1 128 128 GLU N N 15 120.665 0.009 . 1 . . . . . 806 Glu N . 27812 1
576 . 1 . 1 129 129 GLY H H 1 8.599 0.001 . 1 . . . . . 807 Gly H . 27812 1
577 . 1 . 1 129 129 GLY C C 13 173.806 0.003 . 1 . . . . . 807 Gly C . 27812 1
578 . 1 . 1 129 129 GLY CA C 13 44.942 0.022 . 1 . . . . . 807 Gly CA . 27812 1
579 . 1 . 1 129 129 GLY N N 15 110.592 0.012 . 1 . . . . . 807 Gly N . 27812 1
580 . 1 . 1 130 130 GLU H H 1 8.240 0.002 . 1 . . . . . 808 Glu H . 27812 1
581 . 1 . 1 130 130 GLU C C 13 174.699 0.000 . 1 . . . . . 808 Glu C . 27812 1
582 . 1 . 1 130 130 GLU CA C 13 54.302 0.000 . 1 . . . . . 808 Glu CA . 27812 1
583 . 1 . 1 130 130 GLU CB C 13 29.632 0.000 . 1 . . . . . 808 Glu CB . 27812 1
584 . 1 . 1 130 130 GLU N N 15 121.767 0.009 . 1 . . . . . 808 Glu N . 27812 1
585 . 1 . 1 131 131 PRO C C 13 176.089 0.013 . 1 . . . . . 809 Pro C . 27812 1
586 . 1 . 1 131 131 PRO CA C 13 63.064 0.004 . 1 . . . . . 809 Pro CA . 27812 1
587 . 1 . 1 131 131 PRO CB C 13 32.006 0.001 . 1 . . . . . 809 Pro CB . 27812 1
588 . 1 . 1 132 132 PHE H H 1 8.316 0.002 . 1 . . . . . 810 Phe H . 27812 1
589 . 1 . 1 132 132 PHE C C 13 174.768 0.004 . 1 . . . . . 810 Phe C . 27812 1
590 . 1 . 1 132 132 PHE CA C 13 57.593 0.009 . 1 . . . . . 810 Phe CA . 27812 1
591 . 1 . 1 132 132 PHE CB C 13 39.830 0.013 . 1 . . . . . 810 Phe CB . 27812 1
592 . 1 . 1 132 132 PHE N N 15 120.887 0.238 . 1 . . . . . 810 Phe N . 27812 1
593 . 1 . 1 133 133 PHE H H 1 8.133 0.001 . 1 . . . . . 811 Phe H . 27812 1
594 . 1 . 1 133 133 PHE C C 13 173.082 0.000 . 1 . . . . . 811 Phe C . 27812 1
595 . 1 . 1 133 133 PHE CA C 13 55.077 0.000 . 1 . . . . . 811 Phe CA . 27812 1
596 . 1 . 1 133 133 PHE CB C 13 39.591 0.000 . 1 . . . . . 811 Phe CB . 27812 1
597 . 1 . 1 133 133 PHE N N 15 124.413 0.022 . 1 . . . . . 811 Phe N . 27812 1
598 . 1 . 1 134 134 PRO C C 13 176.784 0.000 . 1 . . . . . 812 Pro C . 27812 1
599 . 1 . 1 134 134 PRO CA C 13 62.919 0.027 . 1 . . . . . 812 Pro CA . 27812 1
600 . 1 . 1 134 134 PRO CB C 13 32.523 0.428 . 1 . . . . . 812 Pro CB . 27812 1
601 . 1 . 1 135 135 LYS H H 1 8.555 0.004 . 1 . . . . . 813 Lys H . 27812 1
602 . 1 . 1 135 135 LYS C C 13 177.394 0.023 . 1 . . . . . 813 Lys C . 27812 1
603 . 1 . 1 135 135 LYS CA C 13 56.391 0.034 . 1 . . . . . 813 Lys CA . 27812 1
604 . 1 . 1 135 135 LYS CB C 13 33.136 0.022 . 1 . . . . . 813 Lys CB . 27812 1
605 . 1 . 1 135 135 LYS N N 15 121.935 0.104 . 1 . . . . . 813 Lys N . 27812 1
606 . 1 . 1 136 136 GLY H H 1 8.552 0.001 . 1 . . . . . 814 Gly H . 27812 1
607 . 1 . 1 136 136 GLY C C 13 173.297 0.002 . 1 . . . . . 814 Gly C . 27812 1
608 . 1 . 1 136 136 GLY CA C 13 45.279 0.002 . 1 . . . . . 814 Gly CA . 27812 1
609 . 1 . 1 136 136 GLY N N 15 110.970 0.025 . 1 . . . . . 814 Gly N . 27812 1
610 . 1 . 1 137 137 GLN H H 1 8.018 0.001 . 1 . . . . . 815 Gln H . 27812 1
611 . 1 . 1 137 137 GLN C C 13 180.716 0.000 . 1 . . . . . 815 Gln C . 27812 1
612 . 1 . 1 137 137 GLN CA C 13 57.191 0.000 . 1 . . . . . 815 Gln CA . 27812 1
613 . 1 . 1 137 137 GLN CB C 13 30.384 0.000 . 1 . . . . . 815 Gln CB . 27812 1
614 . 1 . 1 137 137 GLN N N 15 124.886 0.002 . 1 . . . . . 815 Gln N . 27812 1
stop_
save_