data_25870
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Holo form of Calmodulin-Like Domain of Human Non-Muscle alpha-actinin 1
;
_BMRB_accession_number 25870
_BMRB_flat_file_name bmr25870.str
_Entry_type original
_Submission_date 2016-06-27
_Accession_date 2016-06-27
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details .
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 'Drmota Prebil' Sara D. .
2 Slapsak Urska . .
3 'de Almeida Ribeiro' Euripedes . .
4 Pavsic Miha . .
5 Ilc Gregor . .
6 Zielinska Karolina . .
7 Hartl Markus . .
8 Backman Lars . .
9 Plavec Janez . .
10 Lenarcic Brigita . .
11 Djinovic-Carugo Kristina . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 868
"13C chemical shifts" 517
"15N chemical shifts" 151
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2016-06-27 original BMRB .
stop_
_Original_release_date 2016-06-27
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Structure and calcium-binding studies of calmodulin-like domain of human non-muscle alpha-actinin-1
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 27272015
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 'Drmota Prebil' Sara D. .
2 Slapsak Urska . .
3 'de Almeida Ribeiro' Euripedes . .
4 Pavsic Miha . .
5 Ilc Gregor . .
6 Zielinska Karolina . .
7 Hartl Markus . .
8 Backman Lars . .
9 Plavec Janez . .
10 Lenarcic Brigita . .
11 Djinovic-Carugo Kristina . .
stop_
_Journal_abbreviation 'Sci. Rep.'
_Journal_volume 6
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 27383
_Page_last 27383
_Year 2016
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'Holo form of Calmodulin-Like Domain of Human Non-Muscle alpha-actinin 1'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
entity_1 $Calmodulin-Like_Domain_of_alpha-actinin_1
'Calcium ion' $entity_CA
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_Calmodulin-Like_Domain_of_alpha-actinin_1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common Calmodulin-Like_Domain_of_alpha-actinin_1
_Molecular_mass 16986.877
_Mol_thiol_state .
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 153
_Mol_residue_sequence
;
GSSISQEQMNEFRASFNHFD
RDHSGTLGPEEFKACLISLG
YDIGNDPQGEAEFARIMSIV
DPNRLGVVTFQAFIDFMSRE
TADTDTADQVMASFKILAGD
KNYITMDELRRELPPDQAEY
CIARMAPYTGPDSVPGALDY
MSFSTALYGESDL
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 740 GLY 2 741 SER 3 742 SER 4 743 ILE 5 744 SER
6 745 GLN 7 746 GLU 8 747 GLN 9 748 MET 10 749 ASN
11 750 GLU 12 751 PHE 13 752 ARG 14 753 ALA 15 754 SER
16 755 PHE 17 756 ASN 18 757 HIS 19 758 PHE 20 759 ASP
21 760 ARG 22 761 ASP 23 762 HIS 24 763 SER 25 764 GLY
26 765 THR 27 766 LEU 28 767 GLY 29 768 PRO 30 769 GLU
31 770 GLU 32 771 PHE 33 772 LYS 34 773 ALA 35 774 CYS
36 775 LEU 37 776 ILE 38 777 SER 39 778 LEU 40 779 GLY
41 780 TYR 42 781 ASP 43 782 ILE 44 783 GLY 45 784 ASN
46 785 ASP 47 786 PRO 48 787 GLN 49 788 GLY 50 789 GLU
51 790 ALA 52 791 GLU 53 792 PHE 54 793 ALA 55 794 ARG
56 795 ILE 57 796 MET 58 797 SER 59 798 ILE 60 799 VAL
61 800 ASP 62 801 PRO 63 802 ASN 64 803 ARG 65 804 LEU
66 805 GLY 67 806 VAL 68 807 VAL 69 808 THR 70 809 PHE
71 810 GLN 72 811 ALA 73 812 PHE 74 813 ILE 75 814 ASP
76 815 PHE 77 816 MET 78 817 SER 79 818 ARG 80 819 GLU
81 820 THR 82 821 ALA 83 822 ASP 84 823 THR 85 824 ASP
86 825 THR 87 826 ALA 88 827 ASP 89 828 GLN 90 829 VAL
91 830 MET 92 831 ALA 93 832 SER 94 833 PHE 95 834 LYS
96 835 ILE 97 836 LEU 98 837 ALA 99 838 GLY 100 839 ASP
101 840 LYS 102 841 ASN 103 842 TYR 104 843 ILE 105 844 THR
106 845 MET 107 846 ASP 108 847 GLU 109 848 LEU 110 849 ARG
111 850 ARG 112 851 GLU 113 852 LEU 114 853 PRO 115 854 PRO
116 855 ASP 117 856 GLN 118 857 ALA 119 858 GLU 120 859 TYR
121 860 CYS 122 861 ILE 123 862 ALA 124 863 ARG 125 864 MET
126 865 ALA 127 866 PRO 128 867 TYR 129 868 THR 130 869 GLY
131 870 PRO 132 871 ASP 133 872 SER 134 873 VAL 135 874 PRO
136 875 GLY 137 876 ALA 138 877 LEU 139 878 ASP 140 879 TYR
141 880 MET 142 881 SER 143 882 PHE 144 883 SER 145 884 THR
146 885 ALA 147 886 LEU 148 887 TYR 149 888 GLY 150 889 GLU
151 890 SER 152 891 ASP 153 892 LEU
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
save_
#############
# Ligands #
#############
save_CA
_Saveframe_category ligand
_Mol_type "non-polymer (NON-POLYMER)"
_Name_common 'CALCIUM ION'
_BMRB_code CA
_PDB_code CA
_Molecular_mass 40.078
_Mol_charge 2
_Mol_paramagnetic .
_Mol_aromatic no
_Details .
loop_
_Atom_name
_PDB_atom_name
_Atom_type
_Atom_chirality
_Atom_charge
_Atom_oxidation_number
_Atom_unpaired_electrons
CA CA CA . 2 . ?
stop_
_Mol_thiol_state .
_Sequence_homology_query_date .
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Gene_mnemonic
$Calmodulin-Like_Domain_of_alpha-actinin_1 human 9606 Eukaryota Metazoa Homo sapiens ACTN1
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$Calmodulin-Like_Domain_of_alpha-actinin_1 'recombinant technology' . Escherichia coli 'BL21(DE3) pLysS' pET-3d
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Calmodulin-Like_Domain_of_alpha-actinin_1 1 mM '[U-100% 13C; U-100% 15N]'
HEPES 20 mM 'natural abundance'
'Sodium chloride' 100 mM 'natural abundance'
DTT 1.5 mM 'natural abundance'
EGTA 0.05 mM 'natural abundance'
'Calcium chloride' 20 mM 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_CYANA
_Saveframe_category software
_Name CYANA
_Version 3.0
loop_
_Vendor
_Address
_Electronic_address
'Guntert, Mumenthaler and Wuthrich' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
save_SPARKY
_Saveframe_category software
_Name SPARKY
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Cornilescu, Delaglio and Bax' . .
stop_
loop_
_Task
'peak picking'
stop_
_Details .
save_
save_TALOS
_Saveframe_category software
_Name TALOS
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Cornilescu, Delaglio and Bax' . .
stop_
loop_
_Task
'Prediction of Protein Backbone Torsion Angles'
stop_
_Details .
save_
save_YASARA
_Saveframe_category software
_Name YASARA
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Krieger, Koraimann, Vriend' . .
stop_
loop_
_Task
refinement
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model VNMRS
_Field_strength 800
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_1
save_
save_2D_1H-13C_HSQC_aliphatic_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC aliphatic'
_Sample_label $sample_1
save_
save_2D_1H-13C_HSQC_aromatic_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC aromatic'
_Sample_label $sample_1
save_
save_3D_HNCO_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_1
save_
save_3D_HNCA_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $sample_1
save_
save_3D_HN(CO)CA_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CO)CA'
_Sample_label $sample_1
save_
save_3D_HNCACB_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_CBCA(CO)NH_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_1
save_
save_3D_C(CO)NH_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D C(CO)NH'
_Sample_label $sample_1
save_
save_3D_HBHA(CO)NH_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HBHA(CO)NH'
_Sample_label $sample_1
save_
save_3D_HCCH-TOCSY_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $sample_1
save_
save_3D_1H-15N_NOESY_12
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_aliphatic_13
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY aliphatic'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_aromatic_14
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY aromatic'
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 0.1 . M
pH 7.6 . pH
pressure 1 . atm
temperature 298 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
DSS C 13 'methyl carbon' ppm 0 external direct . . . 1
DSS H 1 'methyl protons' ppm 0 external direct . . . 1
'ammonium hydroxide' N 15 nitrogen ppm 0 external direct . . . 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-13C HSQC aliphatic'
'2D 1H-13C HSQC aromatic'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name entity_1
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 742 3 SER HA H 4.525 0.000 1
2 742 3 SER HB2 H 3.822 0.000 2
3 742 3 SER HB3 H 3.814 0.000 2
4 742 3 SER CA C 58.148 0.000 1
5 742 3 SER CB C 63.791 0.000 1
6 743 4 ILE H H 8.132 0.000 1
7 743 4 ILE HA H 4.362 0.000 1
8 743 4 ILE HB H 1.833 0.000 1
9 743 4 ILE HG12 H 1.192 0.000 2
10 743 4 ILE HG13 H 1.510 0.000 2
11 743 4 ILE HG2 H 0.987 0.000 1
12 743 4 ILE HD1 H 0.856 0.000 1
13 743 4 ILE CA C 60.421 0.000 1
14 743 4 ILE CB C 39.166 0.000 1
15 743 4 ILE CG1 C 26.802 0.004 1
16 743 4 ILE CG2 C 17.867 0.000 1
17 743 4 ILE CD1 C 13.423 0.000 1
18 743 4 ILE N N 122.172 0.000 1
19 744 5 SER H H 8.848 0.000 1
20 744 5 SER HA H 4.449 0.000 1
21 744 5 SER HB2 H 4.357 0.000 2
22 744 5 SER HB3 H 4.013 0.000 2
23 744 5 SER CA C 57.463 0.000 1
24 744 5 SER CB C 65.219 0.009 1
25 744 5 SER N N 123.144 0.000 1
26 745 6 GLN H H 9.042 0.000 1
27 745 6 GLN HA H 3.952 0.000 1
28 745 6 GLN HB2 H 2.135 0.000 2
29 745 6 GLN HB3 H 2.018 0.000 2
30 745 6 GLN HG2 H 2.380 0.000 2
31 745 6 GLN HG3 H 2.310 0.000 2
32 745 6 GLN HE21 H 6.948 0.000 2
33 745 6 GLN HE22 H 7.553 0.000 2
34 745 6 GLN CA C 58.768 0.000 1
35 745 6 GLN CB C 28.512 0.000 1
36 745 6 GLN CG C 33.840 0.001 1
37 745 6 GLN N N 121.619 0.000 1
38 745 6 GLN NE2 N 113.485 0.000 1
39 746 7 GLU H H 8.721 0.000 1
40 746 7 GLU HA H 4.004 0.000 1
41 746 7 GLU HB2 H 2.001 0.000 2
42 746 7 GLU HB3 H 1.906 0.000 2
43 746 7 GLU HG2 H 2.355 0.000 2
44 746 7 GLU HG3 H 2.238 0.000 2
45 746 7 GLU CA C 60.223 0.000 1
46 746 7 GLU CB C 28.854 0.000 1
47 746 7 GLU CG C 36.934 0.000 1
48 746 7 GLU N N 118.648 0.000 1
49 747 8 GLN H H 7.838 0.000 1
50 747 8 GLN HA H 3.766 0.000 1
51 747 8 GLN HB2 H 1.598 0.000 2
52 747 8 GLN HB3 H 2.065 0.000 2
53 747 8 GLN HG2 H 2.027 0.000 1
54 747 8 GLN HG3 H 2.026 0.000 1
55 747 8 GLN HE21 H 7.628 0.000 2
56 747 8 GLN HE22 H 6.859 0.000 2
57 747 8 GLN CA C 58.306 0.000 1
58 747 8 GLN CB C 28.948 0.009 1
59 747 8 GLN CG C 34.810 0.000 1
60 747 8 GLN N N 120.463 0.000 1
61 747 8 GLN NE2 N 112.305 0.001 1
62 748 9 MET H H 8.473 0.000 1
63 748 9 MET HA H 4.200 0.000 1
64 748 9 MET HB2 H 2.179 0.000 2
65 748 9 MET HB3 H 2.213 0.000 2
66 748 9 MET HG2 H 2.641 0.000 2
67 748 9 MET HG3 H 2.685 0.000 2
68 748 9 MET HE H 2.136 0.000 1
69 748 9 MET CA C 58.096 0.000 1
70 748 9 MET CB C 30.900 0.000 1
71 748 9 MET CG C 32.453 0.008 1
72 748 9 MET CE C 17.080 0.000 1
73 748 9 MET N N 119.252 0.000 1
74 749 10 ASN H H 8.334 0.000 1
75 749 10 ASN HA H 4.474 0.000 1
76 749 10 ASN HB2 H 2.832 0.000 2
77 749 10 ASN HB3 H 2.994 0.000 2
78 749 10 ASN HD21 H 7.004 0.000 2
79 749 10 ASN HD22 H 7.753 0.000 2
80 749 10 ASN CA C 55.795 0.000 1
81 749 10 ASN CB C 37.413 0.014 1
82 749 10 ASN N N 117.740 0.000 1
83 749 10 ASN ND2 N 112.072 0.008 1
84 750 11 GLU H H 7.838 0.000 1
85 750 11 GLU HA H 4.204 0.000 1
86 750 11 GLU HB2 H 2.059 0.000 2
87 750 11 GLU HB3 H 2.042 0.000 2
88 750 11 GLU HG2 H 2.373 0.000 2
89 750 11 GLU HG3 H 2.219 0.000 2
90 750 11 GLU CA C 59.341 0.000 1
91 750 11 GLU CB C 29.184 0.000 1
92 750 11 GLU CG C 36.206 0.000 1
93 750 11 GLU N N 122.848 0.000 1
94 751 12 PHE H H 8.785 0.000 1
95 751 12 PHE HA H 5.021 0.000 1
96 751 12 PHE HB2 H 3.407 0.000 2
97 751 12 PHE HB3 H 3.507 0.000 2
98 751 12 PHE HD1 H 7.278 0.000 1
99 751 12 PHE HD2 H 7.278 0.000 1
100 751 12 PHE HE1 H 7.261 0.000 1
101 751 12 PHE HE2 H 7.261 0.000 1
102 751 12 PHE HZ H 7.669 0.000 1
103 751 12 PHE CA C 58.353 0.000 1
104 751 12 PHE CB C 37.797 0.001 1
105 751 12 PHE CD1 C 131.595 0.000 1
106 751 12 PHE CD2 C 131.595 0.000 1
107 751 12 PHE CE1 C 129.979 0.000 1
108 751 12 PHE CE2 C 129.979 0.000 1
109 751 12 PHE CZ C 131.817 0.000 1
110 751 12 PHE N N 120.177 0.000 1
111 752 13 ARG H H 9.016 0.000 1
112 752 13 ARG HA H 4.160 0.000 1
113 752 13 ARG HB2 H 2.061 0.000 1
114 752 13 ARG HB3 H 2.060 0.000 1
115 752 13 ARG HG2 H 1.533 0.000 2
116 752 13 ARG HG3 H 1.619 0.000 2
117 752 13 ARG HD2 H 3.021 0.000 1
118 752 13 ARG HD3 H 3.021 0.000 1
119 752 13 ARG CA C 59.704 0.000 1
120 752 13 ARG CB C 29.968 0.000 1
121 752 13 ARG CG C 27.188 0.010 1
122 752 13 ARG CD C 42.735 0.000 1
123 752 13 ARG N N 120.528 0.000 1
124 753 14 ALA H H 8.100 0.000 1
125 753 14 ALA HA H 4.245 0.000 1
126 753 14 ALA HB H 1.598 0.000 1
127 753 14 ALA CA C 55.331 0.000 1
128 753 14 ALA CB C 17.823 0.000 1
129 753 14 ALA N N 121.112 0.000 1
130 754 15 SER H H 8.391 0.000 1
131 754 15 SER HA H 4.452 0.000 1
132 754 15 SER HB2 H 4.409 0.000 2
133 754 15 SER HB3 H 4.322 0.000 2
134 754 15 SER CA C 62.675 0.000 1
135 754 15 SER CB C 63.359 0.011 1
136 754 15 SER N N 115.589 0.000 1
137 755 16 PHE H H 8.675 0.000 1
138 755 16 PHE HA H 3.642 0.000 1
139 755 16 PHE HB2 H 2.921 0.000 2
140 755 16 PHE HB3 H 3.293 0.000 2
141 755 16 PHE HD1 H 6.951 0.000 1
142 755 16 PHE HD2 H 6.951 0.000 1
143 755 16 PHE HE1 H 6.384 0.000 1
144 755 16 PHE HE2 H 6.384 0.000 1
145 755 16 PHE HZ H 6.691 0.000 1
146 755 16 PHE CA C 61.964 0.000 1
147 755 16 PHE CB C 39.822 0.000 1
148 755 16 PHE CD1 C 131.187 0.000 1
149 755 16 PHE CD2 C 131.187 0.000 1
150 755 16 PHE CE1 C 131.569 0.000 1
151 755 16 PHE CE2 C 131.582 0.000 1
152 755 16 PHE CZ C 132.396 0.000 1
153 755 16 PHE N N 121.886 0.000 1
154 756 17 ASN H H 8.593 0.000 1
155 756 17 ASN HA H 4.427 0.000 1
156 756 17 ASN HB2 H 2.863 0.000 2
157 756 17 ASN HB3 H 2.949 0.000 2
158 756 17 ASN HD21 H 6.851 0.000 2
159 756 17 ASN HD22 H 7.629 0.000 2
160 756 17 ASN CA C 55.611 0.000 1
161 756 17 ASN CB C 37.838 0.000 1
162 756 17 ASN N N 113.618 0.000 1
163 756 17 ASN ND2 N 110.790 0.001 1
164 757 18 HIS H H 8.139 0.000 1
165 757 18 HIS HA H 4.079 0.000 1
166 757 18 HIS HB2 H 3.137 0.000 2
167 757 18 HIS HB3 H 3.119 0.000 2
168 757 18 HIS HD2 H 5.367 0.000 1
169 757 18 HIS HE1 H 7.787 0.000 1
170 757 18 HIS CA C 59.344 0.000 1
171 757 18 HIS CB C 29.889 0.000 1
172 757 18 HIS CD2 C 119.753 0.000 1
173 757 18 HIS CE1 C 138.089 0.000 1
174 757 18 HIS N N 119.679 0.000 1
175 758 19 PHE H H 7.585 0.000 1
176 758 19 PHE HA H 4.061 0.000 1
177 758 19 PHE HB2 H 2.466 0.000 2
178 758 19 PHE HB3 H 3.343 0.000 2
179 758 19 PHE HD1 H 7.769 0.000 1
180 758 19 PHE HD2 H 7.769 0.000 1
181 758 19 PHE HE1 H 7.529 0.000 1
182 758 19 PHE HE2 H 7.529 0.000 1
183 758 19 PHE HZ H 7.555 0.000 1
184 758 19 PHE CA C 60.697 0.000 1
185 758 19 PHE CB C 38.735 0.007 1
186 758 19 PHE CD1 C 132.549 0.000 1
187 758 19 PHE CD2 C 132.549 0.000 1
188 758 19 PHE CE1 C 131.694 0.000 1
189 758 19 PHE CE2 C 131.694 0.000 1
190 758 19 PHE CZ C 130.926 0.000 1
191 758 19 PHE N N 113.051 0.000 1
192 759 20 ASP H H 7.423 0.000 1
193 759 20 ASP HA H 4.509 0.000 1
194 759 20 ASP HB2 H 2.748 0.000 2
195 759 20 ASP HB3 H 1.976 0.000 2
196 759 20 ASP CA C 52.171 0.000 1
197 759 20 ASP CB C 38.009 0.000 1
198 759 20 ASP N N 120.916 0.000 1
199 760 21 ARG H H 7.781 0.000 1
200 760 21 ARG HA H 3.768 0.000 1
201 760 21 ARG HB2 H 1.761 0.000 2
202 760 21 ARG HB3 H 1.829 0.000 2
203 760 21 ARG HG2 H 1.685 0.000 2
204 760 21 ARG HG3 H 1.618 0.000 2
205 760 21 ARG HD2 H 3.149 0.000 1
206 760 21 ARG HD3 H 3.149 0.000 1
207 760 21 ARG CA C 58.275 0.000 1
208 760 21 ARG CB C 30.249 0.000 1
209 760 21 ARG CG C 27.197 0.000 1
210 760 21 ARG CD C 43.038 0.000 1
211 760 21 ARG N N 124.819 0.000 1
212 761 22 ASP H H 7.821 0.000 1
213 761 22 ASP HA H 4.483 0.000 1
214 761 22 ASP HB2 H 2.726 0.000 2
215 761 22 ASP HB3 H 2.496 0.000 2
216 761 22 ASP CA C 51.977 0.000 1
217 761 22 ASP CB C 39.522 0.003 1
218 761 22 ASP N N 113.673 0.000 1
219 762 23 HIS H H 7.744 0.000 1
220 762 23 HIS HA H 4.161 0.000 1
221 762 23 HIS HB2 H 3.328 0.000 2
222 762 23 HIS HB3 H 3.289 0.000 2
223 762 23 HIS HD2 H 7.184 0.000 1
224 762 23 HIS HE1 H 8.351 0.000 1
225 762 23 HIS CA C 56.618 0.000 1
226 762 23 HIS CB C 26.380 0.002 1
227 762 23 HIS CD2 C 120.258 0.000 1
228 762 23 HIS CE1 C 136.710 0.000 1
229 762 23 HIS N N 114.966 0.000 1
230 763 24 SER H H 8.726 0.000 1
231 763 24 SER HA H 4.336 0.000 1
232 763 24 SER HB2 H 4.208 0.000 2
233 763 24 SER HB3 H 3.864 0.000 2
234 763 24 SER CA C 59.860 0.000 1
235 763 24 SER CB C 65.192 0.001 1
236 763 24 SER N N 115.077 0.000 1
237 764 25 GLY H H 11.017 0.000 1
238 764 25 GLY HA2 H 3.704 0.000 2
239 764 25 GLY HA3 H 4.374 0.000 2
240 764 25 GLY CA C 45.449 0.005 1
241 764 25 GLY N N 116.915 0.000 1
242 765 26 THR H H 7.693 0.000 1
243 765 26 THR HA H 4.829 0.000 1
244 765 26 THR HB H 3.796 0.000 1
245 765 26 THR HG2 H 1.158 0.000 1
246 765 26 THR CA C 58.759 0.000 1
247 765 26 THR CB C 73.383 0.000 1
248 765 26 THR CG2 C 22.774 0.000 1
249 765 26 THR N N 107.334 0.000 1
250 766 27 LEU H H 9.209 0.000 1
251 766 27 LEU HA H 4.900 0.000 1
252 766 27 LEU HB2 H 1.650 0.000 2
253 766 27 LEU HB3 H 1.177 0.000 2
254 766 27 LEU HG H 0.475 0.000 1
255 766 27 LEU HD1 H 0.137 0.000 2
256 766 27 LEU HD2 H 0.853 0.000 2
257 766 27 LEU CA C 52.339 0.000 1
258 766 27 LEU CB C 42.339 0.005 1
259 766 27 LEU CG C 27.230 0.000 1
260 766 27 LEU CD1 C 21.859 0.000 1
261 766 27 LEU CD2 C 25.245 0.000 1
262 766 27 LEU N N 124.664 0.000 1
263 767 28 GLY H H 8.910 0.000 1
264 767 28 GLY HA2 H 4.024 0.000 2
265 767 28 GLY HA3 H 4.548 0.000 2
266 767 28 GLY CA C 44.123 0.005 1
267 767 28 GLY N N 112.024 0.000 1
268 768 29 PRO HA H 4.318 0.000 1
269 768 29 PRO HB2 H 2.520 0.000 2
270 768 29 PRO HB3 H 2.119 0.000 2
271 768 29 PRO HG2 H 1.969 0.000 2
272 768 29 PRO HG3 H 2.297 0.000 2
273 768 29 PRO HD2 H 3.736 0.000 2
274 768 29 PRO HD3 H 3.970 0.000 2
275 768 29 PRO CA C 67.127 0.000 1
276 768 29 PRO CB C 32.029 0.007 1
277 768 29 PRO CG C 28.371 0.006 1
278 768 29 PRO CD C 48.832 0.001 1
279 769 30 GLU H H 8.622 0.000 1
280 769 30 GLU HA H 3.971 0.000 1
281 769 30 GLU HB2 H 2.066 0.000 2
282 769 30 GLU HB3 H 2.019 0.000 2
283 769 30 GLU HG2 H 2.319 0.000 1
284 769 30 GLU HG3 H 2.319 0.000 1
285 769 30 GLU CA C 59.621 0.000 1
286 769 30 GLU CB C 28.628 0.000 1
287 769 30 GLU CG C 36.562 0.000 1
288 769 30 GLU N N 115.246 0.000 1
289 770 31 GLU H H 7.493 0.000 1
290 770 31 GLU HA H 4.272 0.000 1
291 770 31 GLU HB2 H 2.315 0.000 2
292 770 31 GLU HB3 H 2.283 0.000 2
293 770 31 GLU HG2 H 2.686 0.000 2
294 770 31 GLU HG3 H 2.431 0.000 2
295 770 31 GLU CA C 58.497 0.000 1
296 770 31 GLU CB C 31.372 0.000 1
297 770 31 GLU CG C 36.438 0.013 1
298 770 31 GLU N N 121.127 0.000 1
299 771 32 PHE H H 9.110 0.000 1
300 771 32 PHE HA H 4.355 0.000 1
301 771 32 PHE HB2 H 2.961 0.000 2
302 771 32 PHE HB3 H 3.033 0.000 2
303 771 32 PHE HD1 H 7.267 0.000 1
304 771 32 PHE HD2 H 7.266 0.000 1
305 771 32 PHE HE1 H 6.945 0.000 1
306 771 32 PHE HE2 H 6.947 0.000 1
307 771 32 PHE HZ H 7.483 0.000 1
308 771 32 PHE CA C 58.625 0.000 1
309 771 32 PHE CB C 38.810 0.000 1
310 771 32 PHE CD1 C 131.652 0.000 1
311 771 32 PHE CD2 C 131.646 0.000 1
312 771 32 PHE CE1 C 130.602 0.000 1
313 771 32 PHE CE2 C 130.605 0.000 1
314 771 32 PHE CZ C 130.018 0.000 1
315 771 32 PHE N N 117.688 0.000 1
316 772 33 LYS H H 8.594 0.000 1
317 772 33 LYS HA H 3.313 0.000 1
318 772 33 LYS HB2 H 1.402 0.000 2
319 772 33 LYS HB3 H 1.498 0.000 2
320 772 33 LYS HG2 H 0.734 0.000 2
321 772 33 LYS HG3 H 0.982 0.000 2
322 772 33 LYS HD2 H 1.140 0.000 2
323 772 33 LYS HD3 H 1.237 0.000 2
324 772 33 LYS HE2 H 2.098 0.000 1
325 772 33 LYS HE3 H 2.098 0.000 1
326 772 33 LYS CA C 60.672 0.000 1
327 772 33 LYS CB C 31.979 0.007 1
328 772 33 LYS CG C 25.264 0.010 1
329 772 33 LYS CD C 29.088 0.002 1
330 772 33 LYS CE C 40.940 0.000 1
331 772 33 LYS N N 119.789 0.000 1
332 773 34 ALA H H 7.231 0.000 1
333 773 34 ALA HA H 3.881 0.000 1
334 773 34 ALA HB H 1.567 0.000 1
335 773 34 ALA CA C 55.013 0.000 1
336 773 34 ALA CB C 17.629 0.000 1
337 773 34 ALA N N 118.461 0.000 1
338 774 35 CYS H H 7.498 0.000 1
339 774 35 CYS HA H 2.435 0.000 1
340 774 35 CYS HB2 H 2.206 0.000 2
341 774 35 CYS HB3 H 2.895 0.000 2
342 774 35 CYS CA C 61.174 0.000 1
343 774 35 CYS CB C 26.215 0.002 1
344 774 35 CYS N N 120.913 0.000 1
345 775 36 LEU H H 8.372 0.000 1
346 775 36 LEU HA H 3.766 0.000 1
347 775 36 LEU HB2 H 0.874 0.000 2
348 775 36 LEU HB3 H 1.648 0.000 2
349 775 36 LEU HG H 0.688 0.000 1
350 775 36 LEU HD1 H 0.059 0.000 2
351 775 36 LEU HD2 H 0.049 0.000 2
352 775 36 LEU CA C 57.932 0.000 1
353 775 36 LEU CB C 40.950 0.029 1
354 775 36 LEU CG C 25.910 0.000 1
355 775 36 LEU CD1 C 26.122 0.000 1
356 775 36 LEU CD2 C 21.483 0.000 1
357 775 36 LEU N N 119.201 0.000 1
358 776 37 ILE H H 8.358 0.000 1
359 776 37 ILE HA H 4.090 0.000 1
360 776 37 ILE HB H 1.774 0.000 1
361 776 37 ILE HG12 H 1.655 0.000 2
362 776 37 ILE HG13 H 1.105 0.000 2
363 776 37 ILE HG2 H 0.917 0.000 1
364 776 37 ILE HD1 H 0.773 0.000 1
365 776 37 ILE CA C 65.244 0.000 1
366 776 37 ILE CB C 37.991 0.000 1
367 776 37 ILE CG1 C 30.078 0.003 1
368 776 37 ILE CG2 C 16.827 0.000 1
369 776 37 ILE CD1 C 13.616 0.000 1
370 776 37 ILE N N 121.051 0.000 1
371 777 38 SER H H 7.822 0.000 1
372 777 38 SER HA H 4.291 0.000 1
373 777 38 SER HB2 H 4.161 0.000 2
374 777 38 SER HB3 H 4.124 0.000 2
375 777 38 SER CA C 61.725 0.000 1
376 777 38 SER CB C 62.995 0.010 1
377 777 38 SER N N 119.109 0.000 1
378 778 39 LEU H H 7.671 0.000 1
379 778 39 LEU HA H 4.506 0.000 1
380 778 39 LEU HB2 H 2.118 0.000 2
381 778 39 LEU HB3 H 1.985 0.000 2
382 778 39 LEU HG H 1.119 0.000 1
383 778 39 LEU HD1 H 1.072 0.000 2
384 778 39 LEU HD2 H 2.049 0.000 2
385 778 39 LEU CA C 54.999 0.000 1
386 778 39 LEU CB C 42.670 0.004 1
387 778 39 LEU CG C 27.080 0.000 1
388 778 39 LEU CD1 C 22.510 0.000 1
389 778 39 LEU CD2 C 26.529 0.000 1
390 778 39 LEU N N 121.208 0.000 1
391 779 40 GLY H H 7.897 0.000 1
392 779 40 GLY HA2 H 4.240 0.000 2
393 779 40 GLY HA3 H 3.684 0.000 2
394 779 40 GLY CA C 45.287 0.014 1
395 779 40 GLY N N 106.232 0.000 1
396 780 41 TYR H H 8.072 0.000 1
397 780 41 TYR HA H 4.142 0.000 1
398 780 41 TYR HB2 H 2.532 0.000 2
399 780 41 TYR HB3 H 2.586 0.000 2
400 780 41 TYR HD1 H 7.340 0.000 1
401 780 41 TYR HD2 H 7.340 0.000 1
402 780 41 TYR HE1 H 6.783 0.000 1
403 780 41 TYR HE2 H 6.783 0.000 1
404 780 41 TYR CA C 59.231 0.000 1
405 780 41 TYR CB C 38.341 0.000 1
406 780 41 TYR CD1 C 133.582 0.000 1
407 780 41 TYR CD2 C 133.582 0.000 1
408 780 41 TYR CE1 C 117.630 0.000 1
409 780 41 TYR CE2 C 117.630 0.000 1
410 780 41 TYR N N 120.772 0.000 1
411 781 42 ASP H H 8.862 0.000 1
412 781 42 ASP HA H 4.665 0.000 1
413 781 42 ASP HB2 H 2.797 0.000 2
414 781 42 ASP HB3 H 2.495 0.000 2
415 781 42 ASP CA C 53.148 0.000 1
416 781 42 ASP CB C 39.804 0.010 1
417 781 42 ASP N N 124.304 0.000 1
418 782 43 ILE H H 7.344 0.000 1
419 782 43 ILE HA H 4.341 0.000 1
420 782 43 ILE HB H 1.761 0.000 1
421 782 43 ILE HG12 H 1.252 0.000 2
422 782 43 ILE HG13 H 1.036 0.000 2
423 782 43 ILE HG2 H 0.792 0.000 1
424 782 43 ILE HD1 H 0.740 0.000 1
425 782 43 ILE CA C 58.992 0.000 1
426 782 43 ILE CB C 37.907 0.000 1
427 782 43 ILE CG1 C 26.794 0.004 1
428 782 43 ILE CG2 C 18.431 0.000 1
429 782 43 ILE CD1 C 13.577 0.000 1
430 782 43 ILE N N 122.271 0.000 1
431 783 44 GLY H H 8.122 0.000 1
432 783 44 GLY HA2 H 4.075 0.000 2
433 783 44 GLY HA3 H 3.735 0.000 2
434 783 44 GLY CA C 44.523 0.002 1
435 783 44 GLY N N 112.322 0.000 1
436 784 45 ASN H H 8.452 0.000 1
437 784 45 ASN HA H 4.882 0.000 1
438 784 45 ASN HB2 H 2.832 0.000 2
439 784 45 ASN HB3 H 2.643 0.000 2
440 784 45 ASN HD21 H 7.622 0.000 2
441 784 45 ASN HD22 H 6.864 0.000 2
442 784 45 ASN CA C 52.098 0.000 1
443 784 45 ASN CB C 37.424 0.000 1
444 784 45 ASN N N 118.727 0.000 1
445 784 45 ASN ND2 N 112.819 0.000 1
446 785 46 ASP H H 8.145 0.000 1
447 785 46 ASP HA H 4.778 0.000 1
448 785 46 ASP HB2 H 2.976 0.000 2
449 785 46 ASP HB3 H 2.736 0.000 2
450 785 46 ASP CA C 52.164 0.000 1
451 785 46 ASP CB C 39.657 0.008 1
452 785 46 ASP N N 119.826 0.000 1
453 786 47 PRO HA H 4.271 0.000 1
454 786 47 PRO HB2 H 1.847 0.000 2
455 786 47 PRO HB3 H 2.392 0.000 2
456 786 47 PRO HG2 H 2.133 0.000 1
457 786 47 PRO HG3 H 2.134 0.000 1
458 786 47 PRO HD2 H 3.794 0.000 1
459 786 47 PRO HD3 H 3.794 0.000 1
460 786 47 PRO CA C 66.265 0.000 1
461 786 47 PRO CB C 32.011 0.000 1
462 786 47 PRO CG C 28.334 0.000 1
463 786 47 PRO CD C 50.614 0.000 1
464 787 48 GLN H H 8.409 0.000 1
465 787 48 GLN HA H 4.141 0.000 1
466 787 48 GLN HB2 H 2.151 0.000 2
467 787 48 GLN HB3 H 2.062 0.000 2
468 787 48 GLN HG2 H 2.454 0.000 2
469 787 48 GLN HG3 H 2.398 0.000 2
470 787 48 GLN HE21 H 7.809 0.000 2
471 787 48 GLN HE22 H 6.843 0.000 2
472 787 48 GLN CA C 59.115 0.000 1
473 787 48 GLN CB C 27.732 0.000 1
474 787 48 GLN CG C 34.364 0.009 1
475 787 48 GLN N N 118.097 0.000 1
476 787 48 GLN NE2 N 115.286 0.000 1
477 788 49 GLY H H 8.644 0.000 1
478 788 49 GLY HA2 H 4.280 0.000 2
479 788 49 GLY HA3 H 4.040 0.000 2
480 788 49 GLY CA C 47.317 0.005 1
481 788 49 GLY N N 113.421 0.000 1
482 789 50 GLU H H 8.514 0.000 1
483 789 50 GLU HA H 4.148 0.000 1
484 789 50 GLU HB2 H 2.062 0.000 2
485 789 50 GLU HB3 H 2.044 0.000 2
486 789 50 GLU HG2 H 2.374 0.000 2
487 789 50 GLU HG3 H 2.218 0.000 2
488 789 50 GLU CA C 59.344 0.000 1
489 789 50 GLU CB C 29.435 0.004 1
490 789 50 GLU CG C 36.249 0.000 1
491 789 50 GLU N N 121.223 0.000 1
492 790 51 ALA H H 8.024 0.000 1
493 790 51 ALA HA H 4.247 0.000 1
494 790 51 ALA HB H 1.549 0.000 1
495 790 51 ALA CA C 54.907 0.000 1
496 790 51 ALA CB C 17.780 0.000 1
497 790 51 ALA N N 122.879 0.000 1
498 791 52 GLU H H 8.280 0.000 1
499 791 52 GLU HA H 4.687 0.000 1
500 791 52 GLU HB2 H 2.136 0.000 2
501 791 52 GLU HB3 H 2.237 0.000 2
502 791 52 GLU HG2 H 2.229 0.000 2
503 791 52 GLU HG3 H 2.530 0.000 2
504 791 52 GLU CA C 58.134 0.000 1
505 791 52 GLU CB C 29.061 0.000 1
506 791 52 GLU CG C 34.427 0.018 1
507 791 52 GLU N N 122.622 0.000 1
508 792 53 PHE H H 8.722 0.000 1
509 792 53 PHE HA H 4.038 0.000 1
510 792 53 PHE HB2 H 3.085 0.000 2
511 792 53 PHE HB3 H 3.118 0.000 2
512 792 53 PHE HD1 H 7.146 0.000 1
513 792 53 PHE HD2 H 7.146 0.000 1
514 792 53 PHE HE1 H 7.110 0.000 1
515 792 53 PHE HE2 H 7.110 0.000 1
516 792 53 PHE HZ H 7.058 0.000 1
517 792 53 PHE CA C 61.812 0.000 1
518 792 53 PHE CB C 38.598 0.000 1
519 792 53 PHE CD1 C 130.738 0.000 1
520 792 53 PHE CD2 C 130.738 0.000 1
521 792 53 PHE CE1 C 131.045 0.000 1
522 792 53 PHE CE2 C 131.045 0.000 1
523 792 53 PHE CZ C 131.321 0.000 1
524 792 53 PHE N N 119.949 0.000 1
525 793 54 ALA H H 8.163 0.000 1
526 793 54 ALA HA H 3.854 0.000 1
527 793 54 ALA HB H 1.469 0.000 1
528 793 54 ALA CA C 54.902 0.000 1
529 793 54 ALA CB C 17.628 0.000 1
530 793 54 ALA N N 119.652 0.000 1
531 794 55 ARG H H 8.034 0.000 1
532 794 55 ARG HA H 3.910 0.000 1
533 794 55 ARG HB2 H 2.275 0.000 2
534 794 55 ARG HB3 H 1.901 0.000 2
535 794 55 ARG HG2 H 1.325 0.000 1
536 794 55 ARG HG3 H 1.325 0.000 1
537 794 55 ARG HD2 H 3.414 0.000 2
538 794 55 ARG HD3 H 3.021 0.000 2
539 794 55 ARG CA C 59.471 0.000 1
540 794 55 ARG CB C 30.092 0.004 1
541 794 55 ARG CG C 27.272 0.000 1
542 794 55 ARG CD C 42.772 0.001 1
543 794 55 ARG N N 121.092 0.000 1
544 795 56 ILE H H 8.049 0.000 1
545 795 56 ILE HA H 3.388 0.000 1
546 795 56 ILE HB H 1.512 0.000 1
547 795 56 ILE HG12 H 1.774 0.000 2
548 795 56 ILE HG13 H 0.874 0.000 2
549 795 56 ILE HG2 H 0.349 0.000 1
550 795 56 ILE HD1 H 0.676 0.000 1
551 795 56 ILE CA C 65.848 0.000 1
552 795 56 ILE CB C 38.209 0.000 1
553 795 56 ILE CG1 C 29.155 0.023 1
554 795 56 ILE CG2 C 17.697 0.000 1
555 795 56 ILE CD1 C 14.248 0.000 1
556 795 56 ILE N N 121.394 0.000 1
557 796 57 MET H H 8.589 0.000 1
558 796 57 MET HA H 4.155 0.000 1
559 796 57 MET HB2 H 1.634 0.000 2
560 796 57 MET HB3 H 1.778 0.000 2
561 796 57 MET HG2 H 2.102 0.000 2
562 796 57 MET HG3 H 1.571 0.000 2
563 796 57 MET HE H 1.711 0.000 1
564 796 57 MET CA C 56.470 0.000 1
565 796 57 MET CB C 29.892 0.007 1
566 796 57 MET CG C 32.249 0.000 1
567 796 57 MET CE C 15.427 0.000 1
568 796 57 MET N N 119.012 0.000 1
569 797 58 SER H H 7.732 0.000 1
570 797 58 SER HA H 4.097 0.000 1
571 797 58 SER HB2 H 3.945 0.000 2
572 797 58 SER HB3 H 3.887 0.000 2
573 797 58 SER CA C 61.231 0.000 1
574 797 58 SER CB C 62.895 0.005 1
575 797 58 SER N N 114.132 0.000 1
576 798 59 ILE H H 7.352 0.000 1
577 798 59 ILE HA H 3.818 0.000 1
578 798 59 ILE HB H 2.037 0.000 1
579 798 59 ILE HG12 H 1.810 0.000 2
580 798 59 ILE HG13 H 1.026 0.000 2
581 798 59 ILE HG2 H 0.973 0.000 1
582 798 59 ILE HD1 H 0.920 0.000 1
583 798 59 ILE CA C 63.875 0.000 1
584 798 59 ILE CB C 38.863 0.000 1
585 798 59 ILE CG1 C 28.152 0.001 1
586 798 59 ILE CG2 C 17.300 0.000 1
587 798 59 ILE CD1 C 13.904 0.000 1
588 798 59 ILE N N 120.873 0.000 1
589 799 60 VAL H H 7.648 0.000 1
590 799 60 VAL HA H 4.243 0.000 1
591 799 60 VAL HB H 1.937 0.000 1
592 799 60 VAL HG1 H 0.628 0.000 2
593 799 60 VAL HG2 H 0.640 0.000 2
594 799 60 VAL CA C 62.616 0.000 1
595 799 60 VAL CB C 32.416 0.000 1
596 799 60 VAL CG1 C 22.271 0.000 1
597 799 60 VAL CG2 C 21.256 0.000 1
598 799 60 VAL N N 110.552 0.000 1
599 800 61 ASP H H 8.074 0.000 1
600 800 61 ASP HA H 5.225 0.000 1
601 800 61 ASP HB2 H 2.697 0.000 2
602 800 61 ASP HB3 H 2.036 0.000 2
603 800 61 ASP CA C 51.715 0.000 1
604 800 61 ASP CB C 41.086 0.002 1
605 800 61 ASP N N 119.435 0.000 1
606 801 62 PRO HA H 4.331 0.000 1
607 801 62 PRO HB2 H 1.907 0.000 2
608 801 62 PRO HB3 H 2.304 0.000 2
609 801 62 PRO HG2 H 2.051 0.000 2
610 801 62 PRO HG3 H 2.038 0.000 2
611 801 62 PRO HD2 H 3.332 0.000 2
612 801 62 PRO HD3 H 3.579 0.000 2
613 801 62 PRO CA C 64.819 0.000 1
614 801 62 PRO CB C 31.689 0.000 1
615 801 62 PRO CG C 27.327 0.011 1
616 801 62 PRO CD C 50.535 0.000 1
617 802 63 ASN H H 8.949 0.000 1
618 802 63 ASN HA H 4.760 0.000 1
619 802 63 ASN HB2 H 2.749 0.000 2
620 802 63 ASN HB3 H 2.860 0.000 2
621 802 63 ASN HD21 H 7.352 0.000 2
622 802 63 ASN HD22 H 7.060 0.000 2
623 802 63 ASN CA C 52.998 0.000 1
624 802 63 ASN CB C 37.952 0.000 1
625 802 63 ASN N N 115.164 0.000 1
626 802 63 ASN ND2 N 113.802 0.000 1
627 803 64 ARG H H 7.958 0.000 1
628 803 64 ARG HA H 3.830 0.000 1
629 803 64 ARG HB2 H 1.908 0.000 2
630 803 64 ARG HB3 H 1.803 0.000 2
631 803 64 ARG HG2 H 1.525 0.000 2
632 803 64 ARG HG3 H 1.475 0.000 2
633 803 64 ARG HD2 H 3.163 0.000 2
634 803 64 ARG HD3 H 3.108 0.000 2
635 803 64 ARG CA C 56.888 0.000 1
636 803 64 ARG CB C 26.354 0.000 1
637 803 64 ARG CG C 27.365 0.000 1
638 803 64 ARG CD C 43.443 0.000 1
639 803 64 ARG N N 117.446 0.000 1
640 804 65 LEU H H 10.591 0.000 1
641 804 65 LEU HA H 4.156 0.000 1
642 804 65 LEU HB2 H 1.885 0.000 2
643 804 65 LEU HB3 H 1.489 0.000 2
644 804 65 LEU HG H 1.618 0.000 1
645 804 65 LEU HD1 H 0.788 0.000 2
646 804 65 LEU HD2 H 0.886 0.000 2
647 804 65 LEU CA C 56.373 0.000 1
648 804 65 LEU CB C 42.930 0.001 1
649 804 65 LEU CG C 27.272 0.000 1
650 804 65 LEU CD1 C 22.255 0.000 1
651 804 65 LEU CD2 C 25.191 0.000 1
652 804 65 LEU N N 123.307 0.000 1
653 805 66 GLY H H 11.001 0.000 1
654 805 66 GLY HA2 H 4.056 0.000 2
655 805 66 GLY HA3 H 3.334 0.000 2
656 805 66 GLY CA C 44.944 0.000 1
657 805 66 GLY N N 110.516 0.000 1
658 806 67 VAL H H 6.831 0.000 1
659 806 67 VAL HA H 4.571 0.000 1
660 806 67 VAL HB H 1.650 0.000 1
661 806 67 VAL HG1 H 0.753 0.000 2
662 806 67 VAL HG2 H 0.598 0.000 2
663 806 67 VAL CA C 58.566 0.000 1
664 806 67 VAL CB C 36.853 0.000 1
665 806 67 VAL CG1 C 21.733 0.000 1
666 806 67 VAL CG2 C 18.246 0.000 1
667 806 67 VAL N N 109.840 0.000 1
668 807 68 VAL H H 9.007 0.000 1
669 807 68 VAL HA H 4.167 0.000 1
670 807 68 VAL HB H 1.826 0.000 1
671 807 68 VAL HG1 H 0.616 0.000 2
672 807 68 VAL HG2 H -0.054 0.000 2
673 807 68 VAL CA C 61.644 0.000 1
674 807 68 VAL CB C 32.383 0.000 1
675 807 68 VAL CG1 C 20.530 0.000 1
676 807 68 VAL CG2 C 20.249 0.000 1
677 807 68 VAL N N 122.184 0.000 1
678 808 69 THR H H 7.925 0.000 1
679 808 69 THR HA H 4.593 0.000 1
680 808 69 THR HB H 4.773 0.000 1
681 808 69 THR HG2 H 1.275 0.000 1
682 808 69 THR CA C 60.615 0.000 1
683 808 69 THR CB C 70.695 0.000 1
684 808 69 THR CG2 C 21.984 0.000 1
685 808 69 THR N N 117.391 0.000 1
686 809 70 PHE H H 9.349 0.000 1
687 809 70 PHE HA H 3.640 0.000 1
688 809 70 PHE HB2 H 2.656 0.000 2
689 809 70 PHE HB3 H 2.360 0.000 2
690 809 70 PHE HD1 H 7.276 0.000 1
691 809 70 PHE HD2 H 7.277 0.000 1
692 809 70 PHE HE1 H 6.390 0.000 1
693 809 70 PHE HE2 H 6.390 0.000 1
694 809 70 PHE HZ H 6.944 0.000 1
695 809 70 PHE CA C 61.749 0.000 1
696 809 70 PHE CB C 38.177 0.000 1
697 809 70 PHE CD1 C 131.694 0.000 1
698 809 70 PHE CD2 C 131.705 0.000 1
699 809 70 PHE CE1 C 131.700 0.000 1
700 809 70 PHE CE2 C 131.700 0.000 1
701 809 70 PHE CZ C 130.973 0.000 1
702 809 70 PHE N N 122.236 0.000 1
703 810 71 GLN H H 8.572 0.000 1
704 810 71 GLN HA H 3.598 0.000 1
705 810 71 GLN HB2 H 1.869 0.000 2
706 810 71 GLN HB3 H 2.130 0.000 2
707 810 71 GLN HG2 H 2.379 0.000 2
708 810 71 GLN HG3 H 2.311 0.000 2
709 810 71 GLN HE21 H 6.796 0.000 2
710 810 71 GLN HE22 H 7.459 0.000 2
711 810 71 GLN CA C 58.582 0.000 1
712 810 71 GLN CB C 28.199 0.000 1
713 810 71 GLN CG C 33.702 0.000 1
714 810 71 GLN N N 116.788 0.000 1
715 810 71 GLN NE2 N 112.233 0.001 1
716 811 72 ALA H H 7.667 0.000 1
717 811 72 ALA HA H 4.119 0.000 1
718 811 72 ALA HB H 1.597 0.000 1
719 811 72 ALA CA C 54.911 0.000 1
720 811 72 ALA CB C 19.265 0.000 1
721 811 72 ALA N N 121.208 0.000 1
722 812 73 PHE H H 8.400 0.000 1
723 812 73 PHE HA H 3.980 0.000 1
724 812 73 PHE HB2 H 3.351 0.000 2
725 812 73 PHE HB3 H 3.106 0.000 2
726 812 73 PHE HD1 H 7.090 0.000 1
727 812 73 PHE HD2 H 7.090 0.000 1
728 812 73 PHE HE1 H 6.353 0.000 1
729 812 73 PHE HE2 H 6.353 0.000 1
730 812 73 PHE HZ H 6.884 0.000 1
731 812 73 PHE CA C 61.740 0.000 1
732 812 73 PHE CB C 39.670 0.000 1
733 812 73 PHE CD1 C 131.573 0.000 1
734 812 73 PHE CD2 C 131.573 0.000 1
735 812 73 PHE CE1 C 129.328 0.000 1
736 812 73 PHE CE2 C 129.328 0.000 1
737 812 73 PHE CZ C 131.417 0.000 1
738 812 73 PHE N N 119.805 0.000 1
739 813 74 ILE H H 8.364 0.000 1
740 813 74 ILE HA H 3.146 0.000 1
741 813 74 ILE HB H 1.644 0.000 1
742 813 74 ILE HG12 H 0.907 0.000 1
743 813 74 ILE HG13 H 0.907 0.000 1
744 813 74 ILE HG2 H 0.593 0.000 1
745 813 74 ILE HD1 H 0.566 0.000 1
746 813 74 ILE CA C 63.299 0.000 1
747 813 74 ILE CB C 36.202 0.000 1
748 813 74 ILE CG1 C 26.619 0.000 1
749 813 74 ILE CG2 C 18.534 0.000 1
750 813 74 ILE CD1 C 12.288 0.000 1
751 813 74 ILE N N 118.098 0.000 1
752 814 75 ASP H H 8.221 0.000 1
753 814 75 ASP HA H 4.196 0.000 1
754 814 75 ASP HB2 H 2.731 0.000 2
755 814 75 ASP HB3 H 2.605 0.000 2
756 814 75 ASP CA C 57.680 0.000 1
757 814 75 ASP CB C 40.236 0.000 1
758 814 75 ASP N N 123.528 0.000 1
759 815 76 PHE H H 7.887 0.000 1
760 815 76 PHE HA H 4.129 0.000 1
761 815 76 PHE HB2 H 2.960 0.000 2
762 815 76 PHE HB3 H 3.146 0.000 2
763 815 76 PHE HD1 H 7.080 0.000 1
764 815 76 PHE HD2 H 7.080 0.000 1
765 815 76 PHE HE1 H 6.886 0.000 1
766 815 76 PHE HE2 H 6.886 0.000 1
767 815 76 PHE HZ H 7.277 0.000 1
768 815 76 PHE CA C 61.084 0.000 1
769 815 76 PHE CB C 39.698 0.000 1
770 815 76 PHE CD1 C 130.060 0.000 1
771 815 76 PHE CD2 C 130.060 0.000 1
772 815 76 PHE CE1 C 131.325 0.000 1
773 815 76 PHE CE2 C 131.331 0.000 1
774 815 76 PHE CZ C 131.404 0.000 1
775 815 76 PHE N N 120.584 0.000 1
776 816 77 MET H H 8.372 0.000 1
777 816 77 MET HA H 3.782 0.000 1
778 816 77 MET HB2 H 0.975 0.000 1
779 816 77 MET HB3 H 0.975 0.000 1
780 816 77 MET HG2 H 1.195 0.000 2
781 816 77 MET HG3 H 1.571 0.000 2
782 816 77 MET HE H 1.787 0.000 1
783 816 77 MET CA C 55.662 0.000 1
784 816 77 MET CB C 30.033 0.000 1
785 816 77 MET CG C 31.668 0.010 1
786 816 77 MET CE C 17.086 0.000 1
787 816 77 MET N N 116.960 0.000 1
788 817 78 SER H H 8.074 0.000 1
789 817 78 SER HA H 4.194 0.000 1
790 817 78 SER HB2 H 3.831 0.000 2
791 817 78 SER HB3 H 3.993 0.000 2
792 817 78 SER CA C 60.521 0.000 1
793 817 78 SER CB C 63.185 0.004 1
794 817 78 SER N N 114.277 0.000 1
795 818 79 ARG H H 7.288 0.000 1
796 818 79 ARG HA H 4.124 0.000 1
797 818 79 ARG HB2 H 1.829 0.000 2
798 818 79 ARG HB3 H 1.770 0.000 2
799 818 79 ARG HG2 H 1.581 0.000 2
800 818 79 ARG HG3 H 1.686 0.000 2
801 818 79 ARG HD2 H 3.115 0.000 2
802 818 79 ARG HD3 H 3.101 0.000 2
803 818 79 ARG CA C 57.684 0.000 1
804 818 79 ARG CB C 30.315 0.000 1
805 818 79 ARG CG C 27.362 0.017 1
806 818 79 ARG CD C 43.340 0.000 1
807 818 79 ARG N N 121.493 0.000 1
808 819 80 GLU H H 8.045 0.000 1
809 819 80 GLU HA H 4.101 0.000 1
810 819 80 GLU HB2 H 1.921 0.000 2
811 819 80 GLU HB3 H 1.750 0.000 2
812 819 80 GLU HG2 H 1.772 0.000 2
813 819 80 GLU HG3 H 1.714 0.000 2
814 819 80 GLU CA C 57.066 0.000 1
815 819 80 GLU CB C 30.491 0.000 1
816 819 80 GLU CG C 36.380 0.002 1
817 819 80 GLU N N 119.737 0.000 1
818 820 81 THR H H 7.760 0.000 1
819 820 81 THR HA H 4.280 0.000 1
820 820 81 THR HB H 4.238 0.000 1
821 820 81 THR HG2 H 1.211 0.000 1
822 820 81 THR CA C 62.055 0.000 1
823 820 81 THR CB C 69.828 0.000 1
824 820 81 THR CG2 C 21.474 0.000 1
825 820 81 THR N N 112.128 0.000 1
826 821 82 ALA H H 7.957 0.000 1
827 821 82 ALA HA H 4.284 0.000 1
828 821 82 ALA HB H 1.368 0.000 1
829 821 82 ALA CA C 52.726 0.000 1
830 821 82 ALA CB C 19.304 0.000 1
831 821 82 ALA N N 126.098 0.000 1
832 822 83 ASP H H 8.352 0.000 1
833 822 83 ASP HA H 4.613 0.000 1
834 822 83 ASP HB2 H 2.696 0.000 2
835 822 83 ASP HB3 H 2.609 0.000 2
836 822 83 ASP CA C 54.335 0.000 1
837 822 83 ASP CB C 41.032 0.000 1
838 822 83 ASP N N 119.904 0.000 1
839 823 84 THR H H 8.079 0.000 1
840 823 84 THR HA H 4.278 0.000 1
841 823 84 THR HB H 4.225 0.000 1
842 823 84 THR HG2 H 1.161 0.000 1
843 823 84 THR CA C 62.117 0.000 1
844 823 84 THR CB C 69.584 0.000 1
845 823 84 THR CG2 C 21.545 0.000 1
846 823 84 THR N N 114.142 0.000 1
847 824 85 ASP H H 8.431 0.000 1
848 824 85 ASP HA H 4.657 0.000 1
849 824 85 ASP HB2 H 2.699 0.000 2
850 824 85 ASP HB3 H 2.609 0.000 2
851 824 85 ASP CA C 54.786 0.000 1
852 824 85 ASP CB C 41.085 0.000 1
853 824 85 ASP N N 123.261 0.000 1
854 825 86 THR H H 8.155 0.000 1
855 825 86 THR HA H 4.161 0.000 1
856 825 86 THR HB H 4.223 0.000 1
857 825 86 THR HG2 H 1.123 0.000 1
858 825 86 THR CA C 63.109 0.000 1
859 825 86 THR CB C 69.455 0.000 1
860 825 86 THR CG2 C 21.755 0.000 1
861 825 86 THR N N 114.932 0.000 1
862 826 87 ALA H H 8.379 0.000 1
863 826 87 ALA HA H 4.160 0.000 1
864 826 87 ALA HB H 1.459 0.000 1
865 826 87 ALA CA C 54.392 0.000 1
866 826 87 ALA CB C 18.610 0.000 1
867 826 87 ALA N N 124.961 0.000 1
868 827 88 ASP H H 8.250 0.000 1
869 827 88 ASP HA H 4.425 0.000 1
870 827 88 ASP HB2 H 2.661 0.000 1
871 827 88 ASP HB3 H 2.661 0.000 1
872 827 88 ASP CA C 56.051 0.000 1
873 827 88 ASP CB C 40.559 0.000 1
874 827 88 ASP N N 117.765 0.000 1
875 828 89 GLN H H 8.076 0.000 1
876 828 89 GLN HA H 4.091 0.000 1
877 828 89 GLN HB2 H 2.066 0.000 1
878 828 89 GLN HB3 H 2.066 0.000 1
879 828 89 GLN HG2 H 2.378 0.000 2
880 828 89 GLN HG3 H 2.310 0.000 2
881 828 89 GLN HE21 H 6.627 0.000 2
882 828 89 GLN HE22 H 7.448 0.000 2
883 828 89 GLN CA C 57.814 0.000 1
884 828 89 GLN CB C 28.549 0.000 1
885 828 89 GLN CG C 33.812 0.000 1
886 828 89 GLN N N 120.523 0.000 1
887 828 89 GLN NE2 N 110.097 0.004 1
888 829 90 VAL H H 8.051 0.000 1
889 829 90 VAL HA H 3.525 0.000 1
890 829 90 VAL HB H 1.906 0.000 1
891 829 90 VAL HG1 H 0.809 0.000 2
892 829 90 VAL HG2 H 0.488 0.000 2
893 829 90 VAL CA C 65.194 0.000 1
894 829 90 VAL CB C 31.541 0.000 1
895 829 90 VAL CG1 C 21.859 0.000 1
896 829 90 VAL CG2 C 21.500 0.000 1
897 829 90 VAL N N 120.970 0.000 1
898 830 91 MET H H 8.110 0.000 1
899 830 91 MET HA H 4.006 0.000 1
900 830 91 MET HB2 H 2.106 0.000 2
901 830 91 MET HB3 H 2.170 0.000 2
902 830 91 MET HG2 H 2.731 0.000 1
903 830 91 MET HG3 H 2.731 0.000 1
904 830 91 MET HE H 2.273 0.000 1
905 830 91 MET CA C 57.977 0.000 1
906 830 91 MET CB C 31.995 0.000 1
907 830 91 MET CG C 32.631 0.000 1
908 830 91 MET CE C 17.479 0.000 1
909 830 91 MET N N 119.572 0.000 1
910 831 92 ALA H H 7.836 0.000 1
911 831 92 ALA HA H 4.045 0.000 1
912 831 92 ALA HB H 1.375 0.000 1
913 831 92 ALA CA C 54.501 0.000 1
914 831 92 ALA CB C 18.067 0.000 1
915 831 92 ALA N N 121.059 0.000 1
916 832 93 SER H H 7.714 0.000 1
917 832 93 SER HA H 4.141 0.000 1
918 832 93 SER HB2 H 3.813 0.000 2
919 832 93 SER HB3 H 3.736 0.000 2
920 832 93 SER CA C 60.845 0.000 1
921 832 93 SER CB C 62.613 0.000 1
922 832 93 SER N N 114.256 0.000 1
923 833 94 PHE H H 7.740 0.000 1
924 833 94 PHE HA H 3.823 0.000 1
925 833 94 PHE HB2 H 2.557 0.000 1
926 833 94 PHE HB3 H 2.557 0.000 1
927 833 94 PHE HD1 H 7.668 0.000 1
928 833 94 PHE HD2 H 7.668 0.000 1
929 833 94 PHE HE1 H 7.083 0.000 1
930 833 94 PHE HE2 H 7.082 0.000 1
931 833 94 PHE HZ H 7.459 0.000 1
932 833 94 PHE CA C 58.627 0.000 1
933 833 94 PHE CB C 38.127 0.000 1
934 833 94 PHE CD1 C 132.065 0.000 1
935 833 94 PHE CD2 C 132.075 0.000 1
936 833 94 PHE CE1 C 130.145 0.000 1
937 833 94 PHE CE2 C 130.155 0.000 1
938 833 94 PHE CZ C 130.210 0.000 1
939 833 94 PHE N N 121.847 0.000 1
940 834 95 LYS H H 7.843 0.000 1
941 834 95 LYS HA H 3.589 0.000 1
942 834 95 LYS HB2 H 1.798 0.000 2
943 834 95 LYS HB3 H 1.845 0.000 2
944 834 95 LYS HG2 H 1.464 0.000 1
945 834 95 LYS HG3 H 1.464 0.000 1
946 834 95 LYS HD2 H 1.743 0.000 2
947 834 95 LYS HD3 H 1.702 0.000 2
948 834 95 LYS HE2 H 2.996 0.000 2
949 834 95 LYS HE3 H 2.958 0.000 2
950 834 95 LYS CA C 59.384 0.000 1
951 834 95 LYS CB C 32.143 0.000 1
952 834 95 LYS CG C 25.314 0.000 1
953 834 95 LYS CD C 29.302 0.000 1
954 834 95 LYS CE C 42.036 0.000 1
955 834 95 LYS N N 118.759 0.000 1
956 835 96 ILE H H 7.315 0.000 1
957 835 96 ILE HA H 3.736 0.000 1
958 835 96 ILE HB H 1.855 0.000 1
959 835 96 ILE HG12 H 1.567 0.000 2
960 835 96 ILE HG13 H 1.150 0.000 2
961 835 96 ILE HG2 H 0.835 0.000 1
962 835 96 ILE HD1 H 0.792 0.000 1
963 835 96 ILE CA C 63.714 0.000 1
964 835 96 ILE CB C 37.825 0.000 1
965 835 96 ILE CG1 C 28.911 0.000 1
966 835 96 ILE CG2 C 17.120 0.000 1
967 835 96 ILE CD1 C 12.569 0.000 1
968 835 96 ILE N N 118.537 0.000 1
969 836 97 LEU H H 7.625 0.000 1
970 836 97 LEU HA H 3.955 0.000 1
971 836 97 LEU HB2 H 1.373 0.000 2
972 836 97 LEU HB3 H 1.719 0.000 2
973 836 97 LEU HG H 1.683 0.000 1
974 836 97 LEU HD1 H 0.747 0.000 2
975 836 97 LEU HD2 H 0.758 0.000 2
976 836 97 LEU CA C 57.074 0.000 1
977 836 97 LEU CB C 42.415 0.005 1
978 836 97 LEU CG C 26.721 0.000 1
979 836 97 LEU CD1 C 23.874 0.000 1
980 836 97 LEU CD2 C 24.746 0.000 1
981 836 97 LEU N N 121.201 0.000 1
982 837 98 ALA H H 8.099 0.000 1
983 837 98 ALA HA H 3.895 0.000 1
984 837 98 ALA HB H 1.115 0.000 1
985 837 98 ALA CA C 53.301 0.000 1
986 837 98 ALA CB C 19.338 0.000 1
987 837 98 ALA N N 119.184 0.000 1
988 838 99 GLY H H 7.676 0.000 1
989 838 99 GLY HA2 H 3.819 0.000 2
990 838 99 GLY HA3 H 3.708 0.000 2
991 838 99 GLY CA C 46.918 0.000 1
992 838 99 GLY N N 107.030 0.000 1
993 839 100 ASP H H 8.704 0.000 1
994 839 100 ASP HA H 4.477 0.000 1
995 839 100 ASP HB2 H 2.722 0.000 2
996 839 100 ASP HB3 H 2.670 0.000 2
997 839 100 ASP CA C 54.511 0.000 1
998 839 100 ASP CB C 40.181 0.000 1
999 839 100 ASP N N 122.291 0.000 1
1000 840 101 LYS H H 7.583 0.000 1
1001 840 101 LYS HA H 4.301 0.000 1
1002 840 101 LYS HB2 H 1.881 0.000 2
1003 840 101 LYS HB3 H 1.087 0.000 2
1004 840 101 LYS HG2 H 1.352 0.000 1
1005 840 101 LYS HG3 H 1.352 0.000 1
1006 840 101 LYS HD2 H 1.611 0.000 2
1007 840 101 LYS HD3 H 1.204 0.000 2
1008 840 101 LYS HE2 H 2.768 0.000 2
1009 840 101 LYS HE3 H 2.933 0.000 2
1010 840 101 LYS CA C 55.780 0.000 1
1011 840 101 LYS CB C 33.710 0.000 1
1012 840 101 LYS CG C 23.567 0.000 1
1013 840 101 LYS CD C 28.405 0.011 1
1014 840 101 LYS CE C 40.625 0.000 1
1015 840 101 LYS N N 117.582 0.000 1
1016 841 102 ASN H H 8.693 0.000 1
1017 841 102 ASN HA H 4.611 0.000 1
1018 841 102 ASN HB2 H 2.958 0.000 2
1019 841 102 ASN HB3 H 2.584 0.000 2
1020 841 102 ASN HD21 H 7.810 0.000 2
1021 841 102 ASN HD22 H 7.005 0.000 2
1022 841 102 ASN CA C 53.466 0.000 1
1023 841 102 ASN CB C 39.155 0.000 1
1024 841 102 ASN N N 116.678 0.000 1
1025 841 102 ASN ND2 N 113.421 0.000 1
1026 842 103 TYR H H 6.637 0.000 1
1027 842 103 TYR HA H 4.986 0.000 1
1028 842 103 TYR HB2 H 1.639 0.000 2
1029 842 103 TYR HB3 H 2.770 0.000 2
1030 842 103 TYR HD1 H 6.240 0.000 1
1031 842 103 TYR HD2 H 6.240 0.000 1
1032 842 103 TYR HE1 H 6.646 0.000 1
1033 842 103 TYR HE2 H 6.646 0.000 1
1034 842 103 TYR CA C 54.918 0.000 1
1035 842 103 TYR CB C 40.595 0.000 1
1036 842 103 TYR CD1 C 133.394 0.000 1
1037 842 103 TYR CD2 C 133.394 0.000 1
1038 842 103 TYR CE1 C 118.074 0.000 1
1039 842 103 TYR CE2 C 118.074 0.000 1
1040 842 103 TYR N N 112.236 0.000 1
1041 843 104 ILE H H 8.630 0.000 1
1042 843 104 ILE HA H 4.792 0.000 1
1043 843 104 ILE HB H 1.486 0.000 1
1044 843 104 ILE HG12 H 1.039 0.000 2
1045 843 104 ILE HG13 H 1.020 0.000 2
1046 843 104 ILE HG2 H 0.777 0.000 1
1047 843 104 ILE HD1 H 0.572 0.000 1
1048 843 104 ILE CA C 58.957 0.000 1
1049 843 104 ILE CB C 43.009 0.000 1
1050 843 104 ILE CG1 C 28.341 0.000 1
1051 843 104 ILE CG2 C 17.819 0.000 1
1052 843 104 ILE CD1 C 14.957 0.000 1
1053 843 104 ILE N N 115.475 0.000 1
1054 844 105 THR H H 9.330 0.000 1
1055 844 105 THR HA H 5.370 0.000 1
1056 844 105 THR HB H 4.660 0.000 1
1057 844 105 THR HG2 H 1.234 0.000 1
1058 844 105 THR CA C 60.177 0.000 1
1059 844 105 THR CB C 71.088 0.000 1
1060 844 105 THR CG2 C 22.257 0.000 1
1061 844 105 THR N N 117.169 0.000 1
1062 845 106 MET H H 8.556 0.000 1
1063 845 106 MET HA H 3.824 0.000 1
1064 845 106 MET HB2 H 2.167 0.000 2
1065 845 106 MET HB3 H 2.033 0.000 2
1066 845 106 MET HG2 H 2.906 0.000 2
1067 845 106 MET HG3 H 2.502 0.000 2
1068 845 106 MET HE H 2.141 0.000 1
1069 845 106 MET CA C 60.321 0.000 1
1070 845 106 MET CB C 33.030 0.001 1
1071 845 106 MET CG C 32.902 0.000 1
1072 845 106 MET CE C 17.623 0.000 1
1073 845 106 MET N N 119.860 0.000 1
1074 846 107 ASP H H 8.377 0.000 1
1075 846 107 ASP HA H 4.280 0.000 1
1076 846 107 ASP HB2 H 2.551 0.000 1
1077 846 107 ASP HB3 H 2.551 0.000 1
1078 846 107 ASP CA C 57.404 0.000 1
1079 846 107 ASP CB C 40.584 0.000 1
1080 846 107 ASP N N 116.363 0.000 1
1081 847 108 GLU H H 7.855 0.000 1
1082 847 108 GLU HA H 3.854 0.000 1
1083 847 108 GLU HB2 H 2.354 0.000 2
1084 847 108 GLU HB3 H 1.766 0.000 2
1085 847 108 GLU HG2 H 2.270 0.000 1
1086 847 108 GLU HG3 H 2.270 0.000 1
1087 847 108 GLU CA C 59.657 0.000 1
1088 847 108 GLU CB C 29.660 0.031 1
1089 847 108 GLU CG C 37.567 0.000 1
1090 847 108 GLU N N 120.577 0.000 1
1091 848 109 LEU H H 7.849 0.000 1
1092 848 109 LEU HA H 3.822 0.000 1
1093 848 109 LEU HB2 H 1.964 0.000 2
1094 848 109 LEU HB3 H 1.179 0.000 2
1095 848 109 LEU HG H 1.538 0.000 1
1096 848 109 LEU HD1 H 0.695 0.000 2
1097 848 109 LEU HD2 H 0.634 0.000 2
1098 848 109 LEU CA C 58.725 0.000 1
1099 848 109 LEU CB C 42.457 0.050 1
1100 848 109 LEU CG C 27.312 0.000 1
1101 848 109 LEU CD1 C 24.672 0.000 1
1102 848 109 LEU CD2 C 27.610 0.000 1
1103 848 109 LEU N N 118.714 0.000 1
1104 849 110 ARG H H 8.053 0.000 1
1105 849 110 ARG HA H 3.924 0.000 1
1106 849 110 ARG HB2 H 1.819 0.000 2
1107 849 110 ARG HB3 H 1.707 0.000 2
1108 849 110 ARG HG2 H 1.464 0.000 1
1109 849 110 ARG HG3 H 1.464 0.000 1
1110 849 110 ARG HD2 H 3.048 0.000 1
1111 849 110 ARG HD3 H 3.048 0.000 1
1112 849 110 ARG CA C 58.595 0.000 1
1113 849 110 ARG CB C 30.100 0.000 1
1114 849 110 ARG CG C 29.915 0.000 1
1115 849 110 ARG CD C 43.218 0.000 1
1116 849 110 ARG N N 113.972 0.000 1
1117 850 111 ARG H H 7.743 0.000 1
1118 850 111 ARG HA H 4.193 0.000 1
1119 850 111 ARG HB2 H 1.912 0.000 2
1120 850 111 ARG HB3 H 1.952 0.000 2
1121 850 111 ARG HG2 H 1.699 0.000 2
1122 850 111 ARG HG3 H 1.523 0.000 2
1123 850 111 ARG HD2 H 3.200 0.000 2
1124 850 111 ARG HD3 H 3.163 0.000 2
1125 850 111 ARG CA C 58.245 0.000 1
1126 850 111 ARG CB C 31.120 0.000 1
1127 850 111 ARG CG C 27.663 0.004 1
1128 850 111 ARG CD C 43.480 0.005 1
1129 850 111 ARG N N 118.178 0.000 1
1130 851 112 GLU H H 7.596 0.000 1
1131 851 112 GLU HA H 4.350 0.000 1
1132 851 112 GLU HB2 H 2.144 0.000 2
1133 851 112 GLU HB3 H 1.741 0.000 2
1134 851 112 GLU HG2 H 2.406 0.000 2
1135 851 112 GLU HG3 H 2.278 0.000 2
1136 851 112 GLU CA C 56.886 0.000 1
1137 851 112 GLU CB C 31.590 0.010 1
1138 851 112 GLU CG C 35.300 0.000 1
1139 851 112 GLU N N 115.518 0.000 1
1140 852 113 LEU H H 7.890 0.000 1
1141 852 113 LEU HA H 4.894 0.000 1
1142 852 113 LEU HB2 H 1.742 0.000 2
1143 852 113 LEU HB3 H 1.332 0.000 2
1144 852 113 LEU HG H 1.677 0.000 1
1145 852 113 LEU HD1 H 0.888 0.000 2
1146 852 113 LEU HD2 H 0.847 0.000 2
1147 852 113 LEU CA C 52.174 0.000 1
1148 852 113 LEU CB C 42.469 0.008 1
1149 852 113 LEU CG C 27.028 0.000 1
1150 852 113 LEU CD1 C 22.956 0.000 1
1151 852 113 LEU CD2 C 26.790 0.000 1
1152 852 113 LEU N N 119.148 0.000 1
1153 853 114 PRO HA H 4.347 0.000 1
1154 853 114 PRO HB2 H 2.304 0.000 2
1155 853 114 PRO HB3 H 1.991 0.000 2
1156 853 114 PRO HG2 H 1.832 0.000 1
1157 853 114 PRO HG3 H 1.832 0.000 1
1158 853 114 PRO HD2 H 3.673 0.000 2
1159 853 114 PRO HD3 H 3.330 0.000 2
1160 853 114 PRO CA C 65.119 0.000 1
1161 853 114 PRO CB C 31.631 0.000 1
1162 853 114 PRO CG C 27.113 0.000 1
1163 853 114 PRO CD C 50.471 0.000 1
1164 854 115 PRO HA H 4.270 0.000 1
1165 854 115 PRO HB2 H 2.046 0.000 2
1166 854 115 PRO HB3 H 2.447 0.000 2
1167 854 115 PRO HG2 H 2.152 0.000 1
1168 854 115 PRO HG3 H 2.152 0.000 1
1169 854 115 PRO HD2 H 3.863 0.000 2
1170 854 115 PRO HD3 H 3.798 0.000 2
1171 854 115 PRO CA C 66.336 0.000 1
1172 854 115 PRO CB C 32.256 0.013 1
1173 854 115 PRO CG C 27.637 0.000 1
1174 854 115 PRO CD C 50.279 0.016 1
1175 855 116 ASP H H 8.801 0.000 1
1176 855 116 ASP HA H 4.349 0.000 1
1177 855 116 ASP HB2 H 2.713 0.000 2
1178 855 116 ASP HB3 H 2.585 0.000 2
1179 855 116 ASP CA C 56.913 0.000 1
1180 855 116 ASP CB C 39.244 0.000 1
1181 855 116 ASP N N 114.865 0.000 1
1182 856 117 GLN H H 7.472 0.000 1
1183 856 117 GLN HA H 4.199 0.000 1
1184 856 117 GLN HB2 H 2.124 0.000 2
1185 856 117 GLN HB3 H 1.992 0.000 2
1186 856 117 GLN HG2 H 2.423 0.000 2
1187 856 117 GLN HG3 H 2.378 0.000 2
1188 856 117 GLN HE21 H 7.202 0.000 2
1189 856 117 GLN HE22 H 6.949 0.000 2
1190 856 117 GLN CA C 58.317 0.000 1
1191 856 117 GLN CB C 29.247 0.000 1
1192 856 117 GLN CG C 33.778 0.000 1
1193 856 117 GLN N N 121.465 0.000 1
1194 856 117 GLN NE2 N 112.963 0.000 1
1195 857 118 ALA H H 8.882 0.000 1
1196 857 118 ALA HA H 3.799 0.000 1
1197 857 118 ALA HB H 1.326 0.000 1
1198 857 118 ALA CA C 56.303 0.000 1
1199 857 118 ALA CB C 17.944 0.000 1
1200 857 118 ALA N N 122.805 0.000 1
1201 858 119 GLU H H 8.155 0.000 1
1202 858 119 GLU HA H 4.024 0.000 1
1203 858 119 GLU HB2 H 2.141 0.000 2
1204 858 119 GLU HB3 H 2.000 0.000 2
1205 858 119 GLU HG2 H 2.563 0.000 2
1206 858 119 GLU HG3 H 2.431 0.000 2
1207 858 119 GLU CA C 58.682 0.000 1
1208 858 119 GLU CB C 28.639 0.000 1
1209 858 119 GLU CG C 35.572 0.003 1
1210 858 119 GLU N N 114.094 0.000 1
1211 859 120 TYR H H 7.708 0.000 1
1212 859 120 TYR HA H 4.084 0.000 1
1213 859 120 TYR HB2 H 3.255 0.000 2
1214 859 120 TYR HB3 H 3.404 0.000 2
1215 859 120 TYR HD1 H 7.302 0.000 1
1216 859 120 TYR HD2 H 7.302 0.000 1
1217 859 120 TYR HE1 H 6.896 0.000 1
1218 859 120 TYR HE2 H 6.896 0.000 1
1219 859 120 TYR CA C 61.006 0.000 1
1220 859 120 TYR CB C 38.687 0.000 1
1221 859 120 TYR CD1 C 133.712 0.000 1
1222 859 120 TYR CD2 C 133.712 0.000 1
1223 859 120 TYR CE1 C 117.742 0.000 1
1224 859 120 TYR CE2 C 117.742 0.000 1
1225 859 120 TYR N N 120.665 0.000 1
1226 860 121 CYS H H 8.113 0.000 1
1227 860 121 CYS HA H 4.158 0.000 1
1228 860 121 CYS HB2 H 3.075 0.000 2
1229 860 121 CYS HB3 H 2.564 0.000 2
1230 860 121 CYS CA C 64.254 0.000 1
1231 860 121 CYS CB C 27.304 0.001 1
1232 860 121 CYS N N 115.812 0.000 1
1233 861 122 ILE H H 8.453 0.000 1
1234 861 122 ILE HA H 3.339 0.000 1
1235 861 122 ILE HB H 1.735 0.000 1
1236 861 122 ILE HG12 H 0.738 0.000 2
1237 861 122 ILE HG13 H 1.901 0.000 2
1238 861 122 ILE HG2 H 0.901 0.000 1
1239 861 122 ILE HD1 H 0.802 0.000 1
1240 861 122 ILE CA C 65.643 0.000 1
1241 861 122 ILE CB C 38.714 0.000 1
1242 861 122 ILE CG1 C 31.945 0.004 1
1243 861 122 ILE CG2 C 16.959 0.000 1
1244 861 122 ILE CD1 C 13.900 0.000 1
1245 861 122 ILE N N 120.078 0.000 1
1246 862 123 ALA H H 7.307 0.000 1
1247 862 123 ALA HA H 4.209 0.000 1
1248 862 123 ALA HB H 1.403 0.000 1
1249 862 123 ALA CA C 53.222 0.000 1
1250 862 123 ALA CB C 19.002 0.000 1
1251 862 123 ALA N N 116.691 0.000 1
1252 863 124 ARG H H 7.358 0.000 1
1253 863 124 ARG HA H 4.274 0.000 1
1254 863 124 ARG HB2 H 1.307 0.000 2
1255 863 124 ARG HB3 H 2.424 0.000 2
1256 863 124 ARG HG2 H 1.201 0.000 2
1257 863 124 ARG HG3 H 1.343 0.000 2
1258 863 124 ARG HD2 H 2.748 0.000 2
1259 863 124 ARG HD3 H 2.129 0.000 2
1260 863 124 ARG CA C 56.051 0.000 1
1261 863 124 ARG CB C 31.389 0.007 1
1262 863 124 ARG CG C 28.372 0.007 1
1263 863 124 ARG CD C 41.964 0.000 1
1264 863 124 ARG N N 117.226 0.000 1
1265 864 125 MET H H 7.153 0.000 1
1266 864 125 MET HA H 4.561 0.000 1
1267 864 125 MET HB2 H 1.653 0.000 2
1268 864 125 MET HB3 H 1.690 0.000 2
1269 864 125 MET HG2 H 2.326 0.000 2
1270 864 125 MET HG3 H 2.764 0.000 2
1271 864 125 MET HE H 1.709 0.000 1
1272 864 125 MET CA C 54.927 0.000 1
1273 864 125 MET CB C 37.418 0.004 1
1274 864 125 MET CG C 34.498 0.000 1
1275 864 125 MET CE C 15.429 0.000 1
1276 864 125 MET N N 117.583 0.000 1
1277 865 126 ALA H H 8.557 0.000 1
1278 865 126 ALA HA H 3.866 0.000 1
1279 865 126 ALA HB H 1.272 0.000 1
1280 865 126 ALA CA C 49.194 0.000 1
1281 865 126 ALA CB C 18.647 0.000 1
1282 865 126 ALA N N 124.643 0.000 1
1283 866 127 PRO HA H 4.496 0.000 1
1284 866 127 PRO HB2 H 1.665 0.000 2
1285 866 127 PRO HB3 H 2.321 0.000 2
1286 866 127 PRO HG2 H 2.008 0.000 2
1287 866 127 PRO HG3 H 1.918 0.000 2
1288 866 127 PRO HD2 H 3.518 0.000 2
1289 866 127 PRO HD3 H 3.433 0.000 2
1290 866 127 PRO CA C 62.724 0.000 1
1291 866 127 PRO CB C 31.980 0.000 1
1292 866 127 PRO CG C 27.615 0.000 1
1293 866 127 PRO CD C 50.251 0.000 1
1294 867 128 TYR H H 8.128 0.000 1
1295 867 128 TYR HA H 4.728 0.000 1
1296 867 128 TYR HB2 H 2.467 0.000 2
1297 867 128 TYR HB3 H 2.339 0.000 2
1298 867 128 TYR HD1 H 6.781 0.000 1
1299 867 128 TYR HD2 H 6.781 0.000 1
1300 867 128 TYR HE1 H 6.752 0.000 1
1301 867 128 TYR HE2 H 6.752 0.000 1
1302 867 128 TYR CA C 57.096 0.000 1
1303 867 128 TYR CB C 39.175 0.007 1
1304 867 128 TYR CD1 C 133.194 0.000 1
1305 867 128 TYR CD2 C 133.194 0.000 1
1306 867 128 TYR CE1 C 118.625 0.000 1
1307 867 128 TYR CE2 C 118.625 0.000 1
1308 867 128 TYR N N 122.461 0.000 1
1309 868 129 THR HA H 4.351 0.000 1
1310 868 129 THR HB H 4.330 0.000 1
1311 868 129 THR HG2 H 0.925 0.000 1
1312 868 129 THR CA C 60.271 0.000 1
1313 868 129 THR CB C 68.737 0.000 1
1314 868 129 THR CG2 C 20.612 0.000 1
1315 869 130 GLY HA2 H 4.056 0.000 2
1316 869 130 GLY HA3 H 3.585 0.000 2
1317 869 130 GLY CA C 44.914 0.000 1
1318 870 131 PRO HA H 4.329 0.000 1
1319 870 131 PRO HB2 H 1.991 0.000 2
1320 870 131 PRO HB3 H 2.303 0.000 2
1321 870 131 PRO HG2 H 2.051 0.000 1
1322 870 131 PRO HG3 H 2.051 0.000 1
1323 870 131 PRO HD2 H 3.640 0.000 2
1324 870 131 PRO HD3 H 3.613 0.000 2
1325 870 131 PRO CA C 64.697 0.000 1
1326 870 131 PRO CB C 31.579 0.000 1
1327 870 131 PRO CG C 27.339 0.000 1
1328 870 131 PRO CD C 49.657 0.000 1
1329 871 132 ASP H H 9.267 0.000 1
1330 871 132 ASP HA H 4.604 0.000 1
1331 871 132 ASP HB2 H 3.064 0.000 2
1332 871 132 ASP HB3 H 2.714 0.000 2
1333 871 132 ASP CA C 52.749 0.000 1
1334 871 132 ASP CB C 38.929 0.030 1
1335 871 132 ASP N N 116.207 0.000 1
1336 872 133 SER H H 7.487 0.000 1
1337 872 133 SER HA H 3.497 0.000 1
1338 872 133 SER HB2 H 3.718 0.000 2
1339 872 133 SER HB3 H 3.654 0.000 2
1340 872 133 SER CA C 59.065 0.000 1
1341 872 133 SER CB C 63.125 0.000 1
1342 872 133 SER N N 112.349 0.000 1
1343 873 134 VAL H H 6.411 0.000 1
1344 873 134 VAL HA H 4.729 0.000 1
1345 873 134 VAL HB H 2.236 0.000 1
1346 873 134 VAL HG1 H 0.927 0.000 2
1347 873 134 VAL HG2 H 0.561 0.000 2
1348 873 134 VAL CA C 58.044 0.000 1
1349 873 134 VAL CB C 32.911 0.000 1
1350 873 134 VAL CG1 C 21.651 0.000 1
1351 873 134 VAL CG2 C 18.287 0.000 1
1352 873 134 VAL N N 113.567 0.000 1
1353 874 135 PRO HA H 4.296 0.000 1
1354 874 135 PRO HB2 H 2.299 0.000 2
1355 874 135 PRO HB3 H 1.829 0.000 2
1356 874 135 PRO HG2 H 1.917 0.000 1
1357 874 135 PRO HG3 H 1.918 0.000 1
1358 874 135 PRO HD2 H 3.572 0.000 2
1359 874 135 PRO HD3 H 3.794 0.000 2
1360 874 135 PRO CA C 64.335 0.000 1
1361 874 135 PRO CB C 31.515 0.000 1
1362 874 135 PRO CG C 27.842 0.000 1
1363 874 135 PRO CD C 50.508 0.000 1
1364 875 136 GLY H H 8.800 0.000 1
1365 875 136 GLY HA2 H 3.703 0.000 2
1366 875 136 GLY HA3 H 4.370 0.000 2
1367 875 136 GLY CA C 45.557 0.000 1
1368 875 136 GLY N N 112.118 0.000 1
1369 876 137 ALA H H 7.762 0.000 1
1370 876 137 ALA HA H 4.100 0.000 1
1371 876 137 ALA HB H 1.107 0.000 1
1372 876 137 ALA CA C 53.073 0.000 1
1373 876 137 ALA CB C 20.508 0.000 1
1374 876 137 ALA N N 120.262 0.000 1
1375 877 138 LEU H H 9.595 0.000 1
1376 877 138 LEU HA H 4.776 0.000 1
1377 877 138 LEU HB2 H 1.817 0.000 2
1378 877 138 LEU HB3 H 1.142 0.000 2
1379 877 138 LEU HG H 1.784 0.000 1
1380 877 138 LEU HD1 H 0.779 0.000 2
1381 877 138 LEU HD2 H 0.637 0.000 2
1382 877 138 LEU CA C 54.269 0.000 1
1383 877 138 LEU CB C 44.799 0.004 1
1384 877 138 LEU CG C 26.226 0.000 1
1385 877 138 LEU CD1 C 27.897 0.000 1
1386 877 138 LEU CD2 C 22.697 0.000 1
1387 877 138 LEU N N 125.695 0.000 1
1388 878 139 ASP H H 9.031 0.000 1
1389 878 139 ASP HA H 4.879 0.000 1
1390 878 139 ASP HB2 H 2.943 0.000 2
1391 878 139 ASP HB3 H 2.410 0.000 2
1392 878 139 ASP CA C 51.997 0.000 1
1393 878 139 ASP CB C 40.781 0.000 1
1394 878 139 ASP N N 119.823 0.000 1
1395 879 140 TYR H H 7.456 0.000 1
1396 879 140 TYR HA H 4.591 0.000 1
1397 879 140 TYR HB2 H 2.349 0.000 2
1398 879 140 TYR HB3 H 2.960 0.000 2
1399 879 140 TYR HD1 H 6.865 0.000 1
1400 879 140 TYR HD2 H 6.865 0.000 1
1401 879 140 TYR HE1 H 6.603 0.000 1
1402 879 140 TYR HE2 H 6.603 0.000 1
1403 879 140 TYR CA C 59.396 0.000 1
1404 879 140 TYR CB C 37.321 0.000 1
1405 879 140 TYR CD1 C 132.847 0.000 1
1406 879 140 TYR CD2 C 132.847 0.000 1
1407 879 140 TYR CE1 C 118.303 0.000 1
1408 879 140 TYR CE2 C 118.303 0.000 1
1409 879 140 TYR N N 126.556 0.000 1
1410 880 141 MET H H 7.627 0.000 1
1411 880 141 MET HA H 4.605 0.000 1
1412 880 141 MET HB2 H 2.056 0.000 2
1413 880 141 MET HB3 H 2.155 0.000 2
1414 880 141 MET HG2 H 2.443 0.000 2
1415 880 141 MET HG3 H 2.107 0.000 2
1416 880 141 MET HE H 2.091 0.000 1
1417 880 141 MET CA C 56.044 0.000 1
1418 880 141 MET CB C 30.101 0.000 1
1419 880 141 MET CG C 32.222 0.000 1
1420 880 141 MET CE C 16.237 0.000 1
1421 880 141 MET N N 119.958 0.000 1
1422 881 142 SER H H 7.726 0.000 1
1423 881 142 SER HA H 4.471 0.000 1
1424 881 142 SER HB2 H 3.842 0.000 2
1425 881 142 SER HB3 H 4.162 0.000 2
1426 881 142 SER CA C 58.917 0.000 1
1427 881 142 SER CB C 64.447 0.000 1
1428 881 142 SER N N 114.328 0.000 1
1429 882 143 PHE H H 7.385 0.000 1
1430 882 143 PHE HA H 4.722 0.000 1
1431 882 143 PHE HB2 H 3.150 0.000 2
1432 882 143 PHE HB3 H 3.274 0.000 2
1433 882 143 PHE HD1 H 7.384 0.000 1
1434 882 143 PHE HD2 H 7.384 0.000 1
1435 882 143 PHE HE1 H 6.708 0.000 1
1436 882 143 PHE HE2 H 6.708 0.000 1
1437 882 143 PHE HZ H 6.883 0.000 1
1438 882 143 PHE CA C 59.231 0.000 1
1439 882 143 PHE CB C 40.285 0.000 1
1440 882 143 PHE CD1 C 131.683 0.000 1
1441 882 143 PHE CD2 C 131.683 0.000 1
1442 882 143 PHE CE1 C 129.738 0.000 1
1443 882 143 PHE CE2 C 129.738 0.000 1
1444 882 143 PHE CZ C 131.224 0.000 1
1445 882 143 PHE N N 122.735 0.000 1
1446 883 144 SER H H 7.472 0.000 1
1447 883 144 SER HA H 4.299 0.000 1
1448 883 144 SER HB2 H 3.957 0.000 2
1449 883 144 SER HB3 H 3.842 0.000 2
1450 883 144 SER CA C 57.280 0.000 1
1451 883 144 SER CB C 64.601 0.002 1
1452 883 144 SER N N 120.156 0.000 1
1453 884 145 THR H H 7.996 0.000 1
1454 884 145 THR HA H 3.966 0.000 1
1455 884 145 THR HB H 4.314 0.000 1
1456 884 145 THR HG2 H 1.272 0.000 1
1457 884 145 THR CA C 63.465 0.000 1
1458 884 145 THR CB C 68.899 0.000 1
1459 884 145 THR CG2 C 22.077 0.000 1
1460 884 145 THR N N 110.683 0.000 1
1461 885 146 ALA H H 7.905 0.000 1
1462 885 146 ALA HA H 4.236 0.000 1
1463 885 146 ALA HB H 1.222 0.000 1
1464 885 146 ALA CA C 52.030 0.000 1
1465 885 146 ALA CB C 19.225 0.000 1
1466 885 146 ALA N N 125.456 0.000 1
1467 886 147 LEU H H 8.079 0.000 1
1468 886 147 LEU HA H 4.002 0.000 1
1469 886 147 LEU HB2 H 1.438 0.000 2
1470 886 147 LEU HB3 H 1.296 0.000 2
1471 886 147 LEU HG H 1.474 0.000 1
1472 886 147 LEU HD1 H 0.823 0.000 2
1473 886 147 LEU HD2 H 0.749 0.000 2
1474 886 147 LEU CA C 55.462 0.000 1
1475 886 147 LEU CB C 42.265 0.010 1
1476 886 147 LEU CG C 27.259 0.000 1
1477 886 147 LEU CD1 C 25.111 0.000 1
1478 886 147 LEU CD2 C 23.516 0.000 1
1479 886 147 LEU N N 120.638 0.000 1
1480 887 148 TYR H H 8.267 0.000 1
1481 887 148 TYR HA H 4.356 0.000 1
1482 887 148 TYR HB2 H 2.817 0.000 2
1483 887 148 TYR HB3 H 2.746 0.000 2
1484 887 148 TYR HD1 H 7.096 0.000 1
1485 887 148 TYR HD2 H 7.096 0.000 1
1486 887 148 TYR HE1 H 6.837 0.000 1
1487 887 148 TYR HE2 H 6.837 0.000 1
1488 887 148 TYR CA C 58.750 0.000 1
1489 887 148 TYR CB C 38.569 0.000 1
1490 887 148 TYR CD1 C 133.115 0.000 1
1491 887 148 TYR CD2 C 133.115 0.000 1
1492 887 148 TYR CE1 C 118.075 0.000 1
1493 887 148 TYR CE2 C 118.075 0.000 1
1494 887 148 TYR N N 121.526 0.000 1
1495 888 149 GLY H H 8.087 0.000 1
1496 888 149 GLY HA2 H 3.764 0.000 2
1497 888 149 GLY HA3 H 3.666 0.000 2
1498 888 149 GLY CA C 45.090 0.000 1
1499 888 149 GLY N N 112.379 0.000 1
1500 889 150 GLU H H 7.994 0.000 1
1501 889 150 GLU HA H 4.256 0.000 1
1502 889 150 GLU HB2 H 2.034 0.000 2
1503 889 150 GLU HB3 H 1.869 0.000 2
1504 889 150 GLU HG2 H 2.220 0.000 2
1505 889 150 GLU HG3 H 2.172 0.000 2
1506 889 150 GLU CA C 56.445 0.000 1
1507 889 150 GLU CB C 30.393 0.000 1
1508 889 150 GLU CG C 36.231 0.000 1
1509 889 150 GLU N N 120.255 0.000 1
1510 890 151 SER H H 8.329 0.000 1
1511 890 151 SER HA H 4.415 0.000 1
1512 890 151 SER HB2 H 3.790 0.000 2
1513 890 151 SER HB3 H 3.782 0.000 2
1514 890 151 SER CA C 58.204 0.000 1
1515 890 151 SER CB C 63.913 0.000 1
1516 890 151 SER N N 116.375 0.000 1
1517 891 152 ASP H H 8.394 0.000 1
1518 891 152 ASP HA H 4.610 0.000 1
1519 891 152 ASP HB2 H 2.675 0.000 2
1520 891 152 ASP HB3 H 2.550 0.000 2
1521 891 152 ASP CA C 54.371 0.000 1
1522 891 152 ASP CB C 41.013 0.000 1
1523 891 152 ASP N N 123.017 0.000 1
1524 892 153 LEU H H 7.730 0.000 1
1525 892 153 LEU HA H 4.110 0.000 1
1526 892 153 LEU HB2 H 1.531 0.000 2
1527 892 153 LEU HB3 H 1.511 0.000 2
1528 892 153 LEU HG H 0.851 0.000 1
1529 892 153 LEU HD1 H 0.810 0.000 2
1530 892 153 LEU HD2 H 1.536 0.000 2
1531 892 153 LEU CA C 56.724 0.000 1
1532 892 153 LEU CB C 43.411 0.000 1
1533 892 153 LEU CG C 25.171 0.000 1
1534 892 153 LEU CD1 C 23.524 0.000 1
1535 892 153 LEU CD2 C 27.166 0.000 1
1536 892 153 LEU N N 127.340 0.000 1
stop_
save_