data_17826 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Galectin-7 ; _BMRB_accession_number 17826 _BMRB_flat_file_name bmr17826.str _Entry_type original _Submission_date 2011-08-03 _Accession_date 2011-08-03 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'assignments for two conformations of galectin-7' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nesmelova Irina V. . 2 Moreno Manuel 'A B' . 3 Miller Michelle C. . 4 Andre Sabine . . 5 Jimenez-Barbero Jesus . . 6 Gabius Hans-Joachim . . 7 Mayo Kevin H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1332 "13C chemical shifts" 1045 "15N chemical shifts" 264 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-01-17 update BMRB 'update entry citation' 2011-09-09 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15800 Galectin-1 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C, and 15N backbone and side-chain chemical shift assignments for the 31 kDa human galectin-7 (p53-induced gene 1) homodimer, a pro-apoptotic lectin.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21898049 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nesmelova Irina V. . 2 Berbis 'Manuel Alvaro' . . 3 Miller Michelle C. . 4 Canada 'F. Javier' . . 5 Andre Sabine . . 6 Jimenez-Barbero Jesus . . 7 Gabius Hans-Joachim . . 8 Mayo Kevin H. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 6 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 127 _Page_last 129 _Year 2012 _Details . loop_ _Keyword apoptosis galectin glycan lectin proliferation stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name galectin-7 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'galectin-7, chain 1' $gal-7 'galectin-7, chain 2' $gal-7 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_gal-7 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common gal-7 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'carbohydrate binding' 'pro-apoptotic effector' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 135 _Mol_residue_sequence ; SNVPHKSSLPEGIRPGTVLR IRGLVPPNASRFHVNLLCGE EQGSDAALHFNPRLDTSEVV FNSKEQGSWGREERGPGVPF QRGQPFEVLIIASDDGFKAV VGDAQYHHFRHRLPLARVRL VEVGGDVQLDSVRIF ; loop_ _Residue_seq_code _Residue_label 1 SER 2 ASN 3 VAL 4 PRO 5 HIS 6 LYS 7 SER 8 SER 9 LEU 10 PRO 11 GLU 12 GLY 13 ILE 14 ARG 15 PRO 16 GLY 17 THR 18 VAL 19 LEU 20 ARG 21 ILE 22 ARG 23 GLY 24 LEU 25 VAL 26 PRO 27 PRO 28 ASN 29 ALA 30 SER 31 ARG 32 PHE 33 HIS 34 VAL 35 ASN 36 LEU 37 LEU 38 CYS 39 GLY 40 GLU 41 GLU 42 GLN 43 GLY 44 SER 45 ASP 46 ALA 47 ALA 48 LEU 49 HIS 50 PHE 51 ASN 52 PRO 53 ARG 54 LEU 55 ASP 56 THR 57 SER 58 GLU 59 VAL 60 VAL 61 PHE 62 ASN 63 SER 64 LYS 65 GLU 66 GLN 67 GLY 68 SER 69 TRP 70 GLY 71 ARG 72 GLU 73 GLU 74 ARG 75 GLY 76 PRO 77 GLY 78 VAL 79 PRO 80 PHE 81 GLN 82 ARG 83 GLY 84 GLN 85 PRO 86 PHE 87 GLU 88 VAL 89 LEU 90 ILE 91 ILE 92 ALA 93 SER 94 ASP 95 ASP 96 GLY 97 PHE 98 LYS 99 ALA 100 VAL 101 VAL 102 GLY 103 ASP 104 ALA 105 GLN 106 TYR 107 HIS 108 HIS 109 PHE 110 ARG 111 HIS 112 ARG 113 LEU 114 PRO 115 LEU 116 ALA 117 ARG 118 VAL 119 ARG 120 LEU 121 VAL 122 GLU 123 VAL 124 GLY 125 GLY 126 ASP 127 VAL 128 GLN 129 LEU 130 ASP 131 SER 132 VAL 133 ARG 134 ILE 135 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1BKZ "Crystal Structure Of Human Galectin-7" 100.00 135 100.00 100.00 3.84e-91 PDB 2GAL "Crystal Structure Of Human Galectin-7 In Complex With Galactose" 100.00 135 100.00 100.00 3.84e-91 PDB 3GAL "Crystal Structure Of Human Galectin-7 In Complex With Galactosamine" 100.00 135 100.00 100.00 3.84e-91 PDB 3ZXE "Crystal Structure Of Human Galectin-7 In Complex With A Galactose-Benzylphosphate Inhibitor" 98.52 133 100.00 100.00 1.62e-89 PDB 3ZXF "High Resolution Structure Of Human Galectin-7" 100.00 138 99.26 99.26 1.41e-89 PDB 4GAL "Crystal Structure Of Human Galectin-7 In Complex With Lactose" 100.00 135 100.00 100.00 3.84e-91 PDB 4UW3 "Human Galectin-7 In Complex With A Galactose Based Dendron D1." 100.00 136 100.00 100.00 3.52e-91 PDB 4UW4 "Human Galectin-7 In Complex With A Galactose Based Dendron D2-1." 100.00 136 100.00 100.00 3.52e-91 PDB 4UW5 "Human Galectin-7 In Complex With A Galactose Based Dendron D2-2." 100.00 136 100.00 100.00 3.52e-91 PDB 4UW6 "Human Galectin-7 In Complex With A Galactose Based Dendron D3" 100.00 136 100.00 100.00 3.52e-91 PDB 4XBQ "Crystal Structure Of Human Galectin-7 In Complex With Type 1 N- Acetyllactosamine" 100.00 155 100.00 100.00 5.67e-91 PDB 5GAL "Crystal Structure Of Human Galectin-7 In Complex With N- Acetyllactosamine" 100.00 135 100.00 100.00 3.84e-91 DBJ BAJ21133 "lectin, galactoside-binding, soluble, 7B [synthetic construct]" 100.00 136 100.00 100.00 3.52e-91 EMBL CAG33198 "LGALS7 [Homo sapiens]" 100.00 136 100.00 100.00 3.52e-91 GB AAA67899 "galectin-7 [Homo sapiens]" 100.00 136 100.00 100.00 3.52e-91 GB AAA86820 "keratinocyte lectin 14 [Homo sapiens]" 100.00 136 100.00 100.00 3.52e-91 GB AAH42911 "LGALS7B protein, partial [Homo sapiens]" 98.52 133 100.00 100.00 1.62e-89 GB AAH61588 "Lectin, galactoside-binding, soluble, 7B [Homo sapiens]" 100.00 136 100.00 100.00 3.52e-91 GB AAH73743 "Lectin, galactoside-binding, soluble, 7B [Homo sapiens]" 100.00 136 100.00 100.00 3.52e-91 REF NP_001035972 "galectin-7 [Homo sapiens]" 100.00 136 100.00 100.00 3.52e-91 REF NP_002298 "galectin-7 [Homo sapiens]" 100.00 136 100.00 100.00 3.52e-91 REF XP_001083444 "PREDICTED: galectin-7 [Macaca mulatta]" 100.00 136 97.78 99.26 1.03e-89 REF XP_003282512 "PREDICTED: galectin-7 isoform X1 [Nomascus leucogenys]" 100.00 136 99.26 100.00 8.71e-91 REF XP_003812310 "PREDICTED: galectin-7 [Pan paniscus]" 100.00 136 98.52 99.26 2.74e-90 SP P47929 "RecName: Full=Galectin-7; Short=Gal-7; AltName: Full=HKL-14; AltName: Full=PI7; AltName: Full=p53-induced gene 1 protein" 100.00 136 100.00 100.00 3.52e-91 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $gal-7 Human 9606 Eukaryota Metazoa Homo sapiens 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 $gal-7 'recombinant technology' . Escherichia coli . pQE-60/hGal-7 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $gal-7 . mM 1.0 1.5 '[U-100% 13C; U-100% 15N]' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' 'potassium phosphate' 20 mM . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $gal-7 . mM 0.7 1.5 '[U-100% 13C; U-100% 15N]' D2O 100 % . . 'natural abundance' 'potassium phosphate' 20 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _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_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_HNCACO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 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' 20 . mM pH 7 . pH pressure 1 . atm temperature 303 . 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 protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCA' '3D HN(CO)CA' '3D 1H-15N NOESY' '3D HNCO' '3D HN(COCA)CB' '3D HNCACO' '3D HCCH-TOCSY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'galectin-7, chain 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 2 2 ASN HA H 4.851 0.020 1 2 2 2 ASN HB2 H 2.892 0.020 2 3 2 2 ASN HB3 H 2.774 0.020 2 4 2 2 ASN C C 174.565 0.3 1 5 2 2 ASN CA C 52.638 0.3 1 6 2 2 ASN CB C 38.820 0.3 1 7 3 3 VAL H H 8.327 0.020 1 8 3 3 VAL HA H 4.494 0.020 1 9 3 3 VAL HB H 2.105 0.020 1 10 3 3 VAL HG1 H 0.984 0.020 2 11 3 3 VAL HG2 H 0.929 0.020 2 12 3 3 VAL C C 174.050 0.3 1 13 3 3 VAL CA C 59.503 0.3 1 14 3 3 VAL CB C 32.598 0.3 1 15 3 3 VAL CG1 C 20.858 0.3 1 16 3 3 VAL CG2 C 20.282 0.3 1 17 3 3 VAL N N 122.898 0.3 1 18 4 4 PRO HA H 4.644 0.020 1 19 4 4 PRO HB2 H 2.071 0.020 2 20 4 4 PRO HB3 H 1.847 0.020 2 21 4 4 PRO HG2 H 2.349 0.020 2 22 4 4 PRO HG3 H 1.974 0.020 2 23 4 4 PRO HD2 H 3.947 0.020 1 24 4 4 PRO HD3 H 3.947 0.020 1 25 4 4 PRO C C 175.850 0.3 1 26 4 4 PRO CA C 62.861 0.3 1 27 4 4 PRO CB C 32.099 0.3 1 28 4 4 PRO CG C 27.057 0.3 1 29 4 4 PRO CD C 50.657 0.3 1 30 5 5 HIS H H 8.747 0.020 1 31 5 5 HIS HA H 4.539 0.020 1 32 5 5 HIS HB2 H 3.067 0.020 1 33 5 5 HIS HD2 H 6.740 0.020 1 34 5 5 HIS HE1 H 6.310 0.020 1 35 5 5 HIS C C 174.598 0.3 1 36 5 5 HIS CA C 56.341 0.3 1 37 5 5 HIS CB C 31.589 0.3 1 38 5 5 HIS CD2 C 120.516 0.3 1 39 5 5 HIS N N 120.429 0.3 1 40 6 6 LYS H H 7.987 0.020 1 41 6 6 LYS HA H 5.386 0.020 1 42 6 6 LYS HB2 H 1.627 0.020 1 43 6 6 LYS HB3 H 1.627 0.020 1 44 6 6 LYS HG2 H 1.340 0.020 2 45 6 6 LYS HG3 H 1.230 0.020 2 46 6 6 LYS HD2 H 1.619 0.020 1 47 6 6 LYS HD3 H 1.619 0.020 1 48 6 6 LYS HE2 H 2.854 0.020 1 49 6 6 LYS HE3 H 2.854 0.020 1 50 6 6 LYS C C 175.323 0.3 1 51 6 6 LYS CA C 55.066 0.3 1 52 6 6 LYS CB C 35.429 0.3 1 53 6 6 LYS CG C 25.545 0.3 1 54 6 6 LYS CD C 29.087 0.3 1 55 6 6 LYS CE C 41.574 0.3 1 56 6 6 LYS N N 124.981 0.3 1 57 7 7 SER H H 8.884 0.020 1 58 7 7 SER HA H 4.723 0.020 1 59 7 7 SER HB2 H 3.770 0.020 2 60 7 7 SER HB3 H 3.584 0.020 2 61 7 7 SER C C 172.951 0.3 1 62 7 7 SER CA C 58.002 0.3 1 63 7 7 SER CB C 65.177 0.3 1 64 7 7 SER N N 117.953 0.3 1 65 8 8 SER H H 8.849 0.020 1 66 8 8 SER HA H 4.498 0.020 1 67 8 8 SER HB2 H 3.818 0.020 1 68 8 8 SER HB3 H 3.818 0.020 1 69 8 8 SER C C 173.381 0.3 1 70 8 8 SER CA C 58.891 0.3 1 71 8 8 SER CB C 63.593 0.3 1 72 8 8 SER N N 121.073 0.3 1 73 9 9 LEU H H 7.916 0.020 1 74 9 9 LEU HA H 4.845 0.020 1 75 9 9 LEU HB2 H 1.366 0.020 1 76 9 9 LEU HG H 1.227 0.020 1 77 9 9 LEU HD1 H 0.622 0.020 2 78 9 9 LEU HD2 H 0.743 0.020 2 79 9 9 LEU C C 174.479 0.3 1 80 9 9 LEU CA C 51.955 0.3 1 81 9 9 LEU CB C 41.838 0.3 1 82 9 9 LEU CG C 25.773 0.3 1 83 9 9 LEU CD1 C 23.419 0.3 1 84 9 9 LEU CD2 C 26.481 0.3 1 85 9 9 LEU N N 124.928 0.3 1 86 10 10 PRO HA H 4.276 0.020 1 87 10 10 PRO HB2 H 2.344 0.020 2 88 10 10 PRO HB3 H 1.995 0.020 2 89 10 10 PRO HD2 H 3.769 0.020 2 90 10 10 PRO HD3 H 3.552 0.020 2 91 10 10 PRO C C 177.480 0.3 1 92 10 10 PRO CA C 64.819 0.3 1 93 10 10 PRO CB C 31.838 0.3 1 94 10 10 PRO CD C 49.981 0.3 1 95 11 11 GLU H H 8.638 0.020 1 96 11 11 GLU HA H 4.445 0.020 1 97 11 11 GLU HB2 H 1.817 0.020 1 98 11 11 GLU HB3 H 1.817 0.020 1 99 11 11 GLU HG2 H 2.149 0.020 1 100 11 11 GLU HG3 H 2.149 0.020 1 101 11 11 GLU C C 176.785 0.3 1 102 11 11 GLU CA C 54.454 0.3 1 103 11 11 GLU CB C 29.493 0.3 1 104 11 11 GLU CG C 36.315 0.3 1 105 11 11 GLU N N 115.424 0.3 1 106 12 12 GLY H H 7.758 0.020 1 107 12 12 GLY HA2 H 4.118 0.020 2 108 12 12 GLY HA3 H 4.180 0.020 2 109 12 12 GLY C C 172.559 0.3 1 110 12 12 GLY CA C 44.576 0.3 1 111 12 12 GLY N N 108.456 0.3 1 112 13 13 ILE H H 8.128 0.020 1 113 13 13 ILE HA H 4.473 0.020 1 114 13 13 ILE HB H 1.823 0.020 1 115 13 13 ILE HG12 H 1.427 0.020 2 116 13 13 ILE HG13 H 0.987 0.020 2 117 13 13 ILE HG2 H 0.925 0.020 1 118 13 13 ILE HD1 H 0.845 0.020 1 119 13 13 ILE C C 173.048 0.3 1 120 13 13 ILE CA C 59.452 0.3 1 121 13 13 ILE CB C 40.201 0.3 1 122 13 13 ILE CG1 C 26.607 0.3 1 123 13 13 ILE CG2 C 18.903 0.3 1 124 13 13 ILE CD1 C 13.767 0.3 1 125 13 13 ILE N N 114.545 0.3 1 126 14 14 ARG H H 7.895 0.020 1 127 14 14 ARG HA H 4.720 0.020 1 128 14 14 ARG HB2 H 1.823 0.020 1 129 14 14 ARG HB3 H 1.823 0.020 1 130 14 14 ARG HG2 H 1.524 0.020 1 131 14 14 ARG HG3 H 1.524 0.020 1 132 14 14 ARG HD2 H 3.157 0.020 1 133 14 14 ARG CA C 53.230 0.3 1 134 14 14 ARG CB C 30.671 0.3 1 135 14 14 ARG CG C 25.782 0.3 1 136 14 14 ARG CD C 42.775 0.3 1 137 14 14 ARG N N 120.588 0.3 1 138 15 15 PRO C C 176.861 0.3 1 139 15 15 PRO CA C 63.684 0.3 1 140 15 15 PRO CB C 31.694 0.3 1 141 16 16 GLY H H 9.256 0.020 1 142 16 16 GLY HA2 H 4.560 0.020 2 143 16 16 GLY HA3 H 3.161 0.020 2 144 16 16 GLY C C 173.132 0.3 1 145 16 16 GLY CA C 45.083 0.3 1 146 16 16 GLY N N 111.597 0.3 1 147 17 17 THR H H 8.126 0.020 1 148 17 17 THR HA H 4.846 0.020 1 149 17 17 THR HB H 4.010 0.020 1 150 17 17 THR HG2 H 1.220 0.020 1 151 17 17 THR C C 172.930 0.3 1 152 17 17 THR CA C 63.839 0.3 1 153 17 17 THR CB C 69.436 0.3 1 154 17 17 THR CG2 C 20.844 0.3 1 155 17 17 THR N N 119.888 0.3 1 156 18 18 VAL H H 9.261 0.020 1 157 18 18 VAL HA H 4.720 0.020 1 158 18 18 VAL HB H 2.131 0.020 1 159 18 18 VAL HG1 H 1.032 0.020 2 160 18 18 VAL HG2 H 0.865 0.020 2 161 18 18 VAL C C 172.913 0.3 1 162 18 18 VAL CA C 60.727 0.3 1 163 18 18 VAL CB C 35.811 0.3 1 164 18 18 VAL CG1 C 23.465 0.3 1 165 18 18 VAL CG2 C 21.384 0.3 1 166 18 18 VAL N N 127.457 0.3 1 167 19 19 LEU H H 9.167 0.020 1 168 19 19 LEU HA H 5.145 0.020 1 169 19 19 LEU HB2 H 1.559 0.020 1 170 19 19 LEU HB3 H 1.559 0.020 1 171 19 19 LEU HG H 1.491 0.020 1 172 19 19 LEU HD1 H 0.753 0.020 2 173 19 19 LEU HD2 H 0.688 0.020 2 174 19 19 LEU C C 174.282 0.3 1 175 19 19 LEU CA C 53.230 0.3 1 176 19 19 LEU CB C 43.093 0.3 1 177 19 19 LEU CG C 27.818 0.3 1 178 19 19 LEU CD1 C 24.447 0.3 1 179 19 19 LEU CD2 C 27.186 0.3 1 180 19 19 LEU N N 127.537 0.3 1 181 20 20 ARG H H 9.454 0.020 1 182 20 20 ARG HA H 5.333 0.020 1 183 20 20 ARG HB2 H 1.968 0.020 1 184 20 20 ARG HB3 H 1.968 0.020 1 185 20 20 ARG HG2 H 1.579 0.020 1 186 20 20 ARG HG3 H 1.579 0.020 1 187 20 20 ARG C C 175.104 0.3 1 188 20 20 ARG CA C 54.454 0.3 1 189 20 20 ARG CB C 33.776 0.3 1 190 20 20 ARG CG C 25.992 0.3 1 191 20 20 ARG N N 125.966 0.3 1 192 21 21 ILE H H 9.595 0.020 1 193 21 21 ILE HA H 4.816 0.020 1 194 21 21 ILE HB H 1.820 0.020 1 195 21 21 ILE HG12 H 1.494 0.020 2 196 21 21 ILE HG13 H 0.978 0.020 2 197 21 21 ILE HG2 H 0.854 0.020 1 198 21 21 ILE HD1 H 0.759 0.020 1 199 21 21 ILE C C 172.503 0.3 1 200 21 21 ILE CA C 60.115 0.3 1 201 21 21 ILE CB C 40.737 0.3 1 202 21 21 ILE CG1 C 27.748 0.3 1 203 21 21 ILE CG2 C 18.128 0.3 1 204 21 21 ILE CD1 C 14.988 0.3 1 205 21 21 ILE N N 130.066 0.3 1 206 22 22 ARG H H 8.520 0.020 1 207 22 22 ARG HA H 4.893 0.020 1 208 22 22 ARG HB2 H 1.865 0.020 1 209 22 22 ARG HB3 H 1.865 0.020 1 210 22 22 ARG HG2 H 1.575 0.020 1 211 22 22 ARG HG3 H 1.575 0.020 1 212 22 22 ARG HD2 H 2.938 0.020 1 213 22 22 ARG HD3 H 2.938 0.020 1 214 22 22 ARG C C 175.319 0.3 1 215 22 22 ARG CA C 54.204 0.3 1 216 22 22 ARG CB C 33.212 0.3 1 217 22 22 ARG CG C 28.099 0.3 1 218 22 22 ARG CD C 43.407 0.3 1 219 22 22 ARG N N 125.673 0.3 1 220 23 23 GLY H H 6.897 0.020 1 221 23 23 GLY HA2 H 3.887 0.020 2 222 23 23 GLY HA3 H 3.632 0.020 2 223 23 23 GLY C C 168.851 0.3 1 224 23 23 GLY CA C 46.183 0.3 1 225 23 23 GLY N N 109.428 0.3 1 226 24 24 LEU H H 8.767 0.020 1 227 24 24 LEU HA H 4.586 0.020 1 228 24 24 LEU HB2 H 1.357 0.020 1 229 24 24 LEU HB3 H 1.357 0.020 1 230 24 24 LEU HG H 1.108 0.020 1 231 24 24 LEU HD1 H 0.557 0.020 1 232 24 24 LEU HD2 H 0.557 0.020 1 233 24 24 LEU C C 174.763 0.3 1 234 24 24 LEU CA C 54.251 0.3 1 235 24 24 LEU CB C 45.248 0.3 1 236 24 24 LEU CG C 26.484 0.3 1 237 24 24 LEU CD1 C 24.588 0.3 1 238 24 24 LEU N N 122.051 0.3 1 239 25 25 VAL H H 7.771 0.020 1 240 25 25 VAL HA H 4.193 0.020 1 241 25 25 VAL HB H 2.572 0.020 1 242 25 25 VAL HG1 H 0.937 0.020 2 243 25 25 VAL HG2 H 0.854 0.020 2 244 25 25 VAL CA C 60.013 0.3 1 245 25 25 VAL CB C 31.313 0.3 1 246 25 25 VAL CG1 C 22.832 0.3 1 247 25 25 VAL CG2 C 22.130 0.3 1 248 25 25 VAL N N 126.685 0.3 1 249 27 27 PRO HA H 4.041 0.020 1 250 27 27 PRO HB2 H 2.282 0.020 2 251 27 27 PRO HB3 H 1.855 0.020 2 252 27 27 PRO C C 175.489 0.3 1 253 27 27 PRO CA C 64.941 0.3 1 254 27 27 PRO CB C 31.587 0.3 1 255 28 28 ASN H H 7.985 0.020 1 256 28 28 ASN HA H 4.802 0.020 1 257 28 28 ASN HB2 H 2.824 0.020 2 258 28 28 ASN HB3 H 2.742 0.020 2 259 28 28 ASN HD21 H 7.624 0.020 1 260 28 28 ASN HD22 H 7.047 0.020 1 261 28 28 ASN C C 175.171 0.3 1 262 28 28 ASN CA C 51.317 0.3 1 263 28 28 ASN CB C 37.845 0.3 1 264 28 28 ASN CG C 176.688 0.3 1 265 28 28 ASN N N 112.628 0.3 1 266 28 28 ASN ND2 N 112.896 0.3 1 267 29 29 ALA H H 7.340 0.020 1 268 29 29 ALA HA H 3.975 0.020 1 269 29 29 ALA HB H 1.370 0.020 1 270 29 29 ALA C C 176.705 0.3 1 271 29 29 ALA CA C 53.204 0.3 1 272 29 29 ALA CB C 21.964 0.3 1 273 29 29 ALA N N 120.988 0.3 1 274 30 30 SER H H 9.805 0.020 1 275 30 30 SER HA H 4.677 0.020 1 276 30 30 SER HB2 H 3.936 0.020 1 277 30 30 SER HB3 H 3.936 0.020 1 278 30 30 SER C C 173.368 0.3 1 279 30 30 SER CA C 60.115 0.3 1 280 30 30 SER CB C 63.635 0.3 1 281 30 30 SER N N 116.409 0.3 1 282 31 31 ARG H H 8.073 0.020 1 283 31 31 ARG HA H 5.145 0.020 1 284 31 31 ARG HB2 H 1.612 0.020 1 285 31 31 ARG HB3 H 1.612 0.020 1 286 31 31 ARG C C 173.587 0.3 1 287 31 31 ARG CA C 55.066 0.3 1 288 31 31 ARG CB C 34.633 0.3 1 289 31 31 ARG N N 115.903 0.3 1 290 32 32 PHE H H 7.976 0.020 1 291 32 32 PHE HA H 4.968 0.020 1 292 32 32 PHE HB2 H 3.166 0.020 2 293 32 32 PHE HB3 H 2.595 0.020 2 294 32 32 PHE HD1 H 6.563 0.020 1 295 32 32 PHE HD2 H 6.563 0.020 1 296 32 32 PHE HE1 H 6.032 0.020 3 297 32 32 PHE HE2 H 6.032 0.020 3 298 32 32 PHE HZ H 7.048 0.020 1 299 32 32 PHE C C 171.918 0.3 1 300 32 32 PHE CA C 56.328 0.3 1 301 32 32 PHE CB C 40.006 0.3 1 302 32 32 PHE CD1 C 129.721 0.3 1 303 32 32 PHE CD2 C 129.721 0.3 1 304 32 32 PHE N N 116.846 0.3 1 305 33 33 HIS H H 8.544 0.020 1 306 33 33 HIS HA H 5.555 0.020 1 307 33 33 HIS HB2 H 2.650 0.020 2 308 33 33 HIS HB3 H 2.547 0.020 2 309 33 33 HIS HD2 H 6.528 0.020 1 310 33 33 HIS C C 172.866 0.3 1 311 33 33 HIS CA C 54.454 0.3 1 312 33 33 HIS CB C 33.695 0.3 1 313 33 33 HIS CD2 C 118.907 0.3 1 314 33 33 HIS N N 114.678 0.3 1 315 34 34 VAL H H 8.659 0.020 1 316 34 34 VAL HA H 4.835 0.020 1 317 34 34 VAL HB H 2.040 0.020 1 318 34 34 VAL HG1 H 0.989 0.020 2 319 34 34 VAL HG2 H 0.685 0.020 2 320 34 34 VAL C C 174.076 0.3 1 321 34 34 VAL CA C 60.778 0.3 1 322 34 34 VAL CB C 34.409 0.3 1 323 34 34 VAL CG1 C 20.304 0.3 1 324 34 34 VAL CG2 C 19.610 0.3 1 325 34 34 VAL N N 117.873 0.3 1 326 35 35 ASN H H 9.796 0.020 1 327 35 35 ASN HA H 6.119 0.020 1 328 35 35 ASN HB2 H 2.920 0.020 2 329 35 35 ASN HB3 H 2.534 0.020 2 330 35 35 ASN HD21 H 7.972 0.020 1 331 35 35 ASN HD22 H 6.987 0.020 1 332 35 35 ASN C C 174.417 0.3 1 333 35 35 ASN CA C 50.693 0.3 1 334 35 35 ASN CB C 41.609 0.3 1 335 35 35 ASN CG C 174.362 0.3 1 336 35 35 ASN N N 123.171 0.3 1 337 35 35 ASN ND2 N 113.971 0.3 1 338 36 36 LEU H H 9.385 0.020 1 339 36 36 LEU HA H 5.193 0.020 1 340 36 36 LEU HB2 H 1.685 0.020 2 341 36 36 LEU HB3 H 1.464 0.020 2 342 36 36 LEU HG H 0.917 0.020 1 343 36 36 LEU HD1 H 0.697 0.020 2 344 36 36 LEU HD2 H 0.469 0.020 2 345 36 36 LEU C C 175.795 0.3 1 346 36 36 LEU CA C 53.842 0.3 1 347 36 36 LEU CB C 40.921 0.3 1 348 36 36 LEU CG C 25.007 0.3 1 349 36 36 LEU CD1 C 25.140 0.3 1 350 36 36 LEU CD2 C 25.007 0.3 1 351 36 36 LEU N N 123.410 0.3 1 352 37 37 LEU H H 9.070 0.020 1 353 37 37 LEU HA H 5.240 0.020 1 354 37 37 LEU HB2 H 1.923 0.020 2 355 37 37 LEU HB3 H 1.729 0.020 2 356 37 37 LEU HG H 1.539 0.020 1 357 37 37 LEU HD1 H 0.923 0.020 2 358 37 37 LEU HD2 H 0.790 0.020 2 359 37 37 LEU C C 178.526 0.3 1 360 37 37 LEU CA C 53.281 0.3 1 361 37 37 LEU CB C 45.770 0.3 1 362 37 37 LEU CG C 27.759 0.3 1 363 37 37 LEU CD1 C 25.190 0.3 1 364 37 37 LEU CD2 C 23.508 0.3 1 365 37 37 LEU N N 123.171 0.3 1 366 38 38 CYS H H 8.881 0.020 1 367 38 38 CYS HA H 4.979 0.020 1 368 38 38 CYS HB2 H 3.262 0.020 2 369 38 38 CYS HB3 H 2.674 0.020 2 370 38 38 CYS C C 172.188 0.3 1 371 38 38 CYS CA C 58.234 0.3 1 372 38 38 CYS CB C 27.817 0.3 1 373 38 38 CYS N N 118.474 0.3 1 374 39 39 GLY H H 7.283 0.020 1 375 39 39 GLY HA2 H 4.197 0.020 2 376 39 39 GLY HA3 H 3.930 0.020 2 377 39 39 GLY C C 170.907 0.3 1 378 39 39 GLY CA C 44.467 0.3 1 379 39 39 GLY N N 105.101 0.3 1 380 40 40 GLU H H 8.494 0.020 1 381 40 40 GLU HA H 3.604 0.020 1 382 40 40 GLU HB2 H 1.827 0.020 1 383 40 40 GLU HB3 H 1.827 0.020 1 384 40 40 GLU C C 176.671 0.3 1 385 40 40 GLU CA C 56.341 0.3 1 386 40 40 GLU CB C 30.227 0.3 1 387 40 40 GLU N N 116.382 0.3 1 388 41 41 GLU H H 8.531 0.020 1 389 41 41 GLU HA H 4.740 0.020 1 390 41 41 GLU C C 177.553 0.3 1 391 41 41 GLU CA C 55.729 0.3 1 392 41 41 GLU CB C 29.615 0.3 1 393 41 41 GLU N N 119.470 0.3 1 394 42 42 GLN H H 8.933 0.020 1 395 42 42 GLN HA H 3.996 0.020 1 396 42 42 GLN HB2 H 1.961 0.020 1 397 42 42 GLN HB3 H 1.961 0.020 1 398 42 42 GLN HG2 H 2.337 0.020 1 399 42 42 GLN HG3 H 2.337 0.020 1 400 42 42 GLN HE21 H 7.517 0.020 1 401 42 42 GLN HE22 H 6.854 0.020 1 402 42 42 GLN CA C 57.565 0.3 1 403 42 42 GLN CB C 27.827 0.3 1 404 42 42 GLN CG C 33.385 0.3 1 405 42 42 GLN CD C 178.155 0.3 1 406 42 42 GLN N N 123.881 0.3 1 407 42 42 GLN NE2 N 112.378 0.3 1 408 43 43 GLY H H 8.612 0.020 1 409 43 43 GLY HA2 H 3.769 0.020 2 410 43 43 GLY HA3 H 3.792 0.020 2 411 43 43 GLY C C 174.227 0.3 1 412 43 43 GLY CA C 45.083 0.3 1 413 43 43 GLY N N 109.847 0.3 1 414 44 44 SER H H 7.205 0.020 1 415 44 44 SER HA H 4.032 0.020 1 416 44 44 SER HB2 H 3.617 0.020 1 417 44 44 SER HB3 H 3.617 0.020 1 418 44 44 SER C C 171.986 0.3 1 419 44 44 SER CA C 59.472 0.3 1 420 44 44 SER CB C 64.604 0.3 1 421 44 44 SER N N 115.318 0.3 1 422 45 45 ASP H H 8.518 0.020 1 423 45 45 ASP HA H 4.080 0.020 1 424 45 45 ASP HB2 H 2.869 0.020 2 425 45 45 ASP HB3 H 2.396 0.020 2 426 45 45 ASP C C 176.132 0.3 1 427 45 45 ASP CA C 54.913 0.3 1 428 45 45 ASP CB C 40.173 0.3 1 429 45 45 ASP N N 120.828 0.3 1 430 46 46 ALA H H 9.160 0.020 1 431 46 46 ALA HA H 5.110 0.020 1 432 46 46 ALA HB H 1.058 0.020 1 433 46 46 ALA C C 175.765 0.3 1 434 46 46 ALA CA C 50.067 0.3 1 435 46 46 ALA CB C 19.669 0.3 1 436 46 46 ALA N N 122.878 0.3 1 437 47 47 ALA H H 8.227 0.020 1 438 47 47 ALA HA H 4.233 0.020 1 439 47 47 ALA HB H 1.407 0.020 1 440 47 47 ALA C C 176.423 0.3 1 441 47 47 ALA CA C 53.230 0.3 1 442 47 47 ALA CB C 18.950 0.3 1 443 47 47 ALA N N 126.285 0.3 1 444 48 48 LEU H H 7.205 0.020 1 445 48 48 LEU HA H 4.481 0.020 1 446 48 48 LEU HB2 H 1.143 0.020 1 447 48 48 LEU HB3 H 1.143 0.020 1 448 48 48 LEU HG H 1.092 0.020 1 449 48 48 LEU HD1 H 0.346 0.020 2 450 48 48 LEU HD2 H 0.185 0.020 2 451 48 48 LEU C C 172.222 0.3 1 452 48 48 LEU CA C 55.054 0.3 1 453 48 48 LEU CB C 44.304 0.3 1 454 48 48 LEU CG C 27.033 0.3 1 455 48 48 LEU CD1 C 22.694 0.3 1 456 48 48 LEU CD2 C 24.755 0.3 1 457 48 48 LEU N N 111.087 0.3 1 458 49 49 HIS H H 8.918 0.020 1 459 49 49 HIS HA H 5.528 0.020 1 460 49 49 HIS HB2 H 2.953 0.020 2 461 49 49 HIS HB3 H 2.704 0.020 2 462 49 49 HIS C C 171.446 0.3 1 463 49 49 HIS CA C 55.015 0.3 1 464 49 49 HIS CB C 30.885 0.3 1 465 49 49 HIS N N 128.362 0.3 1 466 50 50 PHE H H 8.614 0.020 1 467 50 50 PHE HA H 4.399 0.020 1 468 50 50 PHE HB2 H 3.019 0.020 2 469 50 50 PHE HB3 H 2.281 0.020 2 470 50 50 PHE HD1 H 6.327 0.020 1 471 50 50 PHE HD2 H 6.327 0.020 1 472 50 50 PHE HE1 H 6.781 0.020 1 473 50 50 PHE HE2 H 6.781 0.020 1 474 50 50 PHE C C 172.660 0.3 1 475 50 50 PHE CA C 54.505 0.3 1 476 50 50 PHE CB C 39.559 0.3 1 477 50 50 PHE CD1 C 131.237 0.3 1 478 50 50 PHE CD2 C 131.237 0.3 1 479 50 50 PHE CE1 C 129.626 0.3 1 480 50 50 PHE CE2 C 129.626 0.3 1 481 50 50 PHE N N 127.111 0.3 1 482 51 51 ASN H H 8.631 0.020 1 483 51 51 ASN HA H 4.851 0.020 1 484 51 51 ASN HB2 H 2.301 0.020 2 485 51 51 ASN HB3 H 1.478 0.020 2 486 51 51 ASN C C 178.282 0.3 1 487 51 51 ASN CA C 48.843 0.3 1 488 51 51 ASN CB C 41.379 0.3 1 489 51 51 ASN N N 124.076 0.3 1 490 52 52 PRO HA H 3.907 0.020 1 491 52 52 PRO C C 173.469 0.3 1 492 52 52 PRO CA C 63.666 0.3 1 493 52 52 PRO CB C 30.831 0.3 1 494 53 53 ARG H H 8.913 0.020 1 495 53 53 ARG HA H 4.687 0.020 1 496 53 53 ARG C C 172.505 0.3 1 497 53 53 ARG CA C 54.454 0.3 1 498 53 53 ARG CB C 29.615 0.3 1 499 53 53 ARG N N 124.733 0.3 1 500 54 54 LEU H H 8.492 0.020 1 501 54 54 LEU HA H 4.189 0.020 1 502 54 54 LEU HB2 H 1.645 0.020 1 503 54 54 LEU HB3 H 1.645 0.020 1 504 54 54 LEU HG H 1.605 0.020 1 505 54 54 LEU HD1 H 0.660 0.020 1 506 54 54 LEU HD2 H 0.660 0.020 1 507 54 54 LEU C C 178.340 0.3 1 508 54 54 LEU CA C 55.678 0.3 1 509 54 54 LEU CB C 38.949 0.3 1 510 54 54 LEU CG C 29.175 0.3 1 511 54 54 LEU CD1 C 23.154 0.3 1 512 54 54 LEU N N 124.901 0.3 1 513 55 55 ASP H H 9.150 0.020 1 514 55 55 ASP HA H 4.303 0.020 1 515 55 55 ASP HB2 H 2.728 0.020 1 516 55 55 ASP HB3 H 2.728 0.020 1 517 55 55 ASP C C 178.193 0.3 1 518 55 55 ASP CA C 55.729 0.3 1 519 55 55 ASP CB C 38.446 0.3 1 520 55 55 ASP N N 118.246 0.3 1 521 56 56 THR H H 7.653 0.020 1 522 56 56 THR HA H 4.308 0.020 1 523 56 56 THR HB H 4.308 0.020 1 524 56 56 THR HG2 H 0.938 0.020 1 525 56 56 THR C C 174.008 0.3 1 526 56 56 THR CA C 60.703 0.3 1 527 56 56 THR CB C 67.117 0.3 1 528 56 56 THR CG2 C 22.806 0.3 1 529 56 56 THR N N 109.160 0.3 1 530 57 57 SER H H 7.325 0.020 1 531 57 57 SER HA H 3.928 0.020 1 532 57 57 SER HB2 H 3.998 0.020 1 533 57 57 SER HB3 H 3.998 0.020 1 534 57 57 SER C C 172.491 0.3 1 535 57 57 SER CA C 58.197 0.3 1 536 57 57 SER CB C 60.842 0.3 1 537 57 57 SER N N 115.230 0.3 1 538 58 58 GLU H H 8.341 0.020 1 539 58 58 GLU HA H 4.594 0.020 1 540 58 58 GLU HB2 H 1.970 0.020 1 541 58 58 GLU HB3 H 1.970 0.020 1 542 58 58 GLU HG2 H 2.160 0.020 1 543 58 58 GLU HG3 H 2.160 0.020 1 544 58 58 GLU C C 173.267 0.3 1 545 58 58 GLU CA C 53.842 0.3 1 546 58 58 GLU CB C 32.598 0.3 1 547 58 58 GLU N N 116.329 0.3 1 548 59 59 VAL H H 8.978 0.020 1 549 59 59 VAL HA H 4.101 0.020 1 550 59 59 VAL HB H 2.618 0.020 1 551 59 59 VAL HG1 H 0.816 0.020 2 552 59 59 VAL HG2 H 0.115 0.020 2 553 59 59 VAL C C 173.857 0.3 1 554 59 59 VAL CA C 61.339 0.3 1 555 59 59 VAL CB C 31.956 0.3 1 556 59 59 VAL CG1 C 21.615 0.3 1 557 59 59 VAL CG2 C 22.230 0.3 1 558 59 59 VAL N N 120.455 0.3 1 559 60 60 VAL H H 6.822 0.020 1 560 60 60 VAL HA H 4.623 0.020 1 561 60 60 VAL HB H 1.602 0.020 1 562 60 60 VAL HG1 H 0.795 0.020 2 563 60 60 VAL HG2 H 0.628 0.020 2 564 60 60 VAL C C 173.081 0.3 1 565 60 60 VAL CA C 60.727 0.3 1 566 60 60 VAL CB C 34.419 0.3 1 567 60 60 VAL CG1 C 20.936 0.3 1 568 60 60 VAL CG2 C 21.588 0.3 1 569 60 60 VAL N N 124.954 0.3 1 570 61 61 PHE H H 9.242 0.020 1 571 61 61 PHE HA H 5.556 0.020 1 572 61 61 PHE HB2 H 2.998 0.020 2 573 61 61 PHE HB3 H 2.580 0.020 2 574 61 61 PHE HD1 H 6.971 0.020 1 575 61 61 PHE HD2 H 6.971 0.020 1 576 61 61 PHE HE1 H 7.217 0.020 1 577 61 61 PHE HE2 H 7.217 0.020 1 578 61 61 PHE C C 175.171 0.3 1 579 61 61 PHE CA C 55.015 0.3 1 580 61 61 PHE CB C 42.557 0.3 1 581 61 61 PHE CD1 C 131.855 0.3 1 582 61 61 PHE CE1 C 131.664 0.3 1 583 61 61 PHE N N 123.330 0.3 1 584 62 62 ASN H H 9.036 0.020 1 585 62 62 ASN HA H 5.271 0.020 1 586 62 62 ASN HB2 H 2.939 0.020 1 587 62 62 ASN HB3 H 2.939 0.020 1 588 62 62 ASN HD21 H 7.487 0.020 1 589 62 62 ASN HD22 H 6.979 0.020 1 590 62 62 ASN C C 171.868 0.3 1 591 62 62 ASN CA C 51.037 0.3 1 592 62 62 ASN CB C 42.557 0.3 1 593 62 62 ASN CG C 176.705 0.3 1 594 62 62 ASN N N 117.607 0.3 1 595 62 62 ASN ND2 N 112.776 0.3 1 596 63 63 SER H H 9.908 0.020 1 597 63 63 SER HA H 4.714 0.020 1 598 63 63 SER HB2 H 3.805 0.020 2 599 63 63 SER HB3 H 3.656 0.020 2 600 63 63 SER C C 171.986 0.3 1 601 63 63 SER CA C 56.953 0.3 1 602 63 63 SER CB C 66.224 0.3 1 603 63 63 SER N N 113.906 0.3 1 604 64 64 LYS H H 8.770 0.020 1 605 64 64 LYS C C 174.164 0.3 1 606 64 64 LYS CA C 55.066 0.3 1 607 64 64 LYS CB C 35.123 0.3 1 608 64 64 LYS N N 122.071 0.3 1 609 65 65 GLU H H 8.086 0.020 1 610 65 65 GLU HA H 4.490 0.020 1 611 65 65 GLU HB2 H 1.909 0.020 2 612 65 65 GLU HB3 H 1.741 0.020 2 613 65 65 GLU HG2 H 2.094 0.020 2 614 65 65 GLU HG3 H 2.011 0.020 2 615 65 65 GLU C C 175.711 0.3 1 616 65 65 GLU CA C 54.725 0.3 1 617 65 65 GLU CB C 32.883 0.3 1 618 65 65 GLU CG C 37.205 0.3 1 619 65 65 GLU N N 124.370 0.3 1 620 66 66 GLN H H 9.678 0.020 1 621 66 66 GLN HA H 3.839 0.020 1 622 66 66 GLN HB2 H 2.249 0.020 2 623 66 66 GLN HB3 H 1.978 0.020 2 624 66 66 GLN HG2 H 2.343 0.020 1 625 66 66 GLN HG3 H 2.343 0.020 1 626 66 66 GLN HE21 H 7.650 0.020 1 627 66 66 GLN HE22 H 6.786 0.020 1 628 66 66 GLN C C 176.334 0.3 1 629 66 66 GLN CA C 56.317 0.3 1 630 66 66 GLN CB C 26.280 0.3 1 631 66 66 GLN CG C 34.169 0.3 1 632 66 66 GLN CD C 180.902 0.3 1 633 66 66 GLN N N 125.913 0.3 1 634 66 66 GLN NE2 N 112.657 0.3 1 635 67 67 GLY H H 9.072 0.020 1 636 67 67 GLY HA2 H 4.062 0.020 2 637 67 67 GLY HA3 H 3.356 0.020 2 638 67 67 GLY C C 173.722 0.3 1 639 67 67 GLY CA C 45.030 0.3 1 640 67 67 GLY N N 104.275 0.3 1 641 68 68 SER H H 7.578 0.020 1 642 68 68 SER HA H 4.748 0.020 1 643 68 68 SER HB2 H 3.808 0.020 2 644 68 68 SER HB3 H 3.660 0.020 2 645 68 68 SER C C 173.992 0.3 1 646 68 68 SER CA C 56.966 0.3 1 647 68 68 SER CB C 64.400 0.3 1 648 68 68 SER N N 115.739 0.3 1 649 69 69 TRP H H 8.856 0.020 1 650 69 69 TRP HA H 4.790 0.020 1 651 69 69 TRP HB2 H 3.420 0.020 2 652 69 69 TRP HB3 H 3.105 0.020 2 653 69 69 TRP HD1 H 7.351 0.020 1 654 69 69 TRP HE1 H 10.060 0.020 1 655 69 69 TRP HZ2 H 7.077 0.020 1 656 69 69 TRP C C 177.274 0.3 1 657 69 69 TRP CA C 57.514 0.3 1 658 69 69 TRP CB C 29.921 0.3 1 659 69 69 TRP CD1 C 127.499 0.3 1 660 69 69 TRP CE2 C 138.865 0.3 1 661 69 69 TRP CZ2 C 113.917 0.3 1 662 69 69 TRP N N 129.294 0.3 1 663 69 69 TRP NE1 N 128.573 0.3 1 664 70 70 GLY H H 8.525 0.020 1 665 70 70 GLY HA2 H 4.475 0.020 2 666 70 70 GLY HA3 H 3.673 0.020 2 667 70 70 GLY C C 174.194 0.3 1 668 70 70 GLY CA C 44.467 0.3 1 669 70 70 GLY N N 110.201 0.3 1 670 71 71 ARG H H 8.514 0.020 1 671 71 71 ARG HA H 4.428 0.020 1 672 71 71 ARG HB2 H 1.823 0.020 1 673 71 71 ARG HG2 H 1.699 0.020 2 674 71 71 ARG HG3 H 1.641 0.020 2 675 71 71 ARG HD2 H 3.281 0.020 1 676 71 71 ARG C C 176.216 0.3 1 677 71 71 ARG CA C 55.729 0.3 1 678 71 71 ARG CB C 29.921 0.3 1 679 71 71 ARG CG C 26.602 0.3 1 680 71 71 ARG CD C 43.045 0.3 1 681 71 71 ARG N N 122.292 0.3 1 682 72 72 GLU H H 8.913 0.020 1 683 72 72 GLU HA H 4.416 0.020 1 684 72 72 GLU HB2 H 2.023 0.020 1 685 72 72 GLU HB3 H 2.023 0.020 1 686 72 72 GLU HG2 H 2.094 0.020 1 687 72 72 GLU HG3 H 2.094 0.020 1 688 72 72 GLU C C 177.278 0.3 1 689 72 72 GLU CA C 57.565 0.3 1 690 72 72 GLU CB C 30.456 0.3 1 691 72 72 GLU CG C 35.991 0.3 1 692 72 72 GLU N N 126.677 0.3 1 693 73 73 GLU H H 9.197 0.020 1 694 73 73 GLU HA H 4.860 0.020 1 695 73 73 GLU HB2 H 2.252 0.020 1 696 73 73 GLU HB3 H 2.252 0.020 1 697 73 73 GLU HG2 H 2.421 0.020 1 698 73 73 GLU HG3 H 2.421 0.020 1 699 73 73 GLU C C 174.733 0.3 1 700 73 73 GLU CA C 54.454 0.3 1 701 73 73 GLU CB C 32.491 0.3 1 702 73 73 GLU CG C 36.038 0.3 1 703 73 73 GLU N N 121.653 0.3 1 704 74 74 ARG H H 8.606 0.020 1 705 74 74 ARG HA H 5.528 0.020 1 706 74 74 ARG C C 176.756 0.3 1 707 74 74 ARG CA C 54.454 0.3 1 708 74 74 ARG CB C 33.241 0.3 1 709 74 74 ARG N N 121.121 0.3 1 710 75 75 GLY H H 7.862 0.020 1 711 75 75 GLY HA2 H 4.205 0.020 2 712 75 75 GLY HA3 H 3.468 0.020 2 713 75 75 GLY C C 172.588 0.3 1 714 75 75 GLY CA C 43.203 0.3 1 715 75 75 GLY N N 106.082 0.3 1 716 76 76 PRO HA H 4.750 0.020 1 717 76 76 PRO HB2 H 2.202 0.020 2 718 76 76 PRO HB3 H 2.012 0.020 2 719 76 76 PRO C C 175.993 0.3 1 720 76 76 PRO CA C 62.210 0.3 1 721 76 76 PRO CB C 29.660 0.3 1 722 77 77 GLY H H 8.222 0.020 1 723 77 77 GLY HA2 H 4.212 0.020 2 724 77 77 GLY HA3 H 3.981 0.020 2 725 77 77 GLY C C 173.004 0.3 1 726 77 77 GLY CA C 44.467 0.3 1 727 77 77 GLY N N 113.945 0.3 1 728 78 78 VAL H H 8.689 0.020 1 729 78 78 VAL HA H 4.552 0.020 1 730 78 78 VAL HB H 2.051 0.020 1 731 78 78 VAL HG1 H 0.976 0.020 2 732 78 78 VAL HG2 H 0.769 0.020 2 733 78 78 VAL CA C 58.228 0.3 1 734 78 78 VAL CB C 32.919 0.3 1 735 78 78 VAL CG1 C 20.613 0.3 1 736 78 78 VAL CG2 C 20.381 0.3 1 737 78 78 VAL N N 119.151 0.3 1 738 79 79 PRO HA H 4.606 0.020 1 739 79 79 PRO C C 173.166 0.3 1 740 79 79 PRO CA C 62.325 0.3 1 741 79 79 PRO CB C 28.366 0.3 1 742 80 80 PHE H H 6.930 0.020 1 743 80 80 PHE HA H 4.544 0.020 1 744 80 80 PHE HB2 H 2.976 0.020 2 745 80 80 PHE HB3 H 2.099 0.020 2 746 80 80 PHE HD1 H 6.761 0.020 1 747 80 80 PHE HD2 H 6.761 0.020 1 748 80 80 PHE C C 173.216 0.3 1 749 80 80 PHE CA C 56.328 0.3 1 750 80 80 PHE CB C 43.080 0.3 1 751 80 80 PHE CD1 C 130.885 0.3 1 752 80 80 PHE CD2 C 130.885 0.3 1 753 80 80 PHE N N 114.720 0.3 1 754 81 81 GLN H H 9.098 0.020 1 755 81 81 GLN HA H 4.745 0.020 1 756 81 81 GLN HB2 H 1.899 0.020 2 757 81 81 GLN HB3 H 1.738 0.020 2 758 81 81 GLN HG2 H 2.312 0.020 1 759 81 81 GLN HG3 H 2.312 0.020 1 760 81 81 GLN HE21 H 7.473 0.020 1 761 81 81 GLN HE22 H 6.725 0.020 1 762 81 81 GLN C C 175.851 0.3 1 763 81 81 GLN CA C 53.842 0.3 1 764 81 81 GLN CB C 32.012 0.3 1 765 81 81 GLN CG C 33.489 0.3 1 766 81 81 GLN CD C 180.144 0.3 1 767 81 81 GLN N N 119.311 0.3 1 768 81 81 GLN NE2 N 111.820 0.3 1 769 82 82 ARG H H 8.897 0.020 1 770 82 82 ARG HA H 3.622 0.020 1 771 82 82 ARG HB2 H 1.891 0.020 2 772 82 82 ARG HB3 H 1.855 0.020 2 773 82 82 ARG HG2 H 1.713 0.020 2 774 82 82 ARG HG3 H 1.642 0.020 2 775 82 82 ARG HD2 H 3.255 0.020 1 776 82 82 ARG HD3 H 3.255 0.020 1 777 82 82 ARG C C 176.912 0.3 1 778 82 82 ARG CA C 58.228 0.3 1 779 82 82 ARG CB C 30.163 0.3 1 780 82 82 ARG CG C 26.835 0.3 1 781 82 82 ARG CD C 43.056 0.3 1 782 82 82 ARG N N 122.497 0.3 1 783 83 83 GLY H H 8.523 0.020 1 784 83 83 GLY HA2 H 4.250 0.020 2 785 83 83 GLY HA3 H 3.596 0.020 2 786 83 83 GLY C C 173.132 0.3 1 787 83 83 GLY CA C 45.072 0.3 1 788 83 83 GLY N N 112.239 0.3 1 789 84 84 GLN H H 7.795 0.020 1 790 84 84 GLN HA H 5.009 0.020 1 791 84 84 GLN HB2 H 2.151 0.020 2 792 84 84 GLN HB3 H 2.080 0.020 2 793 84 84 GLN HG2 H 2.353 0.020 1 794 84 84 GLN HG3 H 2.353 0.020 1 795 84 84 GLN HE21 H 7.509 0.020 1 796 84 84 GLN HE22 H 6.795 0.020 1 797 84 84 GLN C C 174.605 0.3 1 798 84 84 GLN CA C 51.953 0.3 1 799 84 84 GLN CB C 29.600 0.3 1 800 84 84 GLN CG C 32.804 0.3 1 801 84 84 GLN CD C 179.554 0.3 1 802 84 84 GLN N N 116.891 0.3 1 803 84 84 GLN NE2 N 112.916 0.3 1 804 85 85 PRO HA H 5.212 0.020 1 805 85 85 PRO HB2 H 2.231 0.020 1 806 85 85 PRO HB3 H 2.231 0.020 1 807 85 85 PRO HG2 H 1.968 0.020 1 808 85 85 PRO HG3 H 1.968 0.020 1 809 85 85 PRO C C 175.272 0.3 1 810 85 85 PRO CA C 61.852 0.3 1 811 85 85 PRO CB C 32.851 0.3 1 812 85 85 PRO CG C 26.672 0.3 1 813 86 86 PHE H H 8.452 0.020 1 814 86 86 PHE HA H 5.306 0.020 1 815 86 86 PHE HB2 H 3.225 0.020 2 816 86 86 PHE HB3 H 3.027 0.020 2 817 86 86 PHE HD1 H 7.116 0.020 1 818 86 86 PHE HD2 H 7.116 0.020 1 819 86 86 PHE C C 173.385 0.3 1 820 86 86 PHE CA C 55.729 0.3 1 821 86 86 PHE CB C 43.386 0.3 1 822 86 86 PHE CD1 C 132.328 0.3 1 823 86 86 PHE CD2 C 132.328 0.3 1 824 86 86 PHE N N 115.237 0.3 1 825 87 87 GLU H H 9.107 0.020 1 826 87 87 GLU HA H 5.060 0.020 1 827 87 87 GLU HB2 H 1.926 0.020 1 828 87 87 GLU HB3 H 1.926 0.020 1 829 87 87 GLU HG2 H 1.974 0.020 1 830 87 87 GLU HG3 H 1.974 0.020 1 831 87 87 GLU C C 174.396 0.3 1 832 87 87 GLU CA C 55.729 0.3 1 833 87 87 GLU CB C 32.828 0.3 1 834 87 87 GLU CG C 37.438 0.3 1 835 87 87 GLU N N 122.399 0.3 1 836 88 88 VAL H H 9.428 0.020 1 837 88 88 VAL HA H 5.278 0.020 1 838 88 88 VAL HB H 2.040 0.020 1 839 88 88 VAL HG1 H 1.276 0.020 2 840 88 88 VAL HG2 H 0.813 0.020 2 841 88 88 VAL C C 174.699 0.3 1 842 88 88 VAL CA C 59.452 0.3 1 843 88 88 VAL CB C 36.041 0.3 1 844 88 88 VAL CG1 C 22.772 0.3 1 845 88 88 VAL CG2 C 20.767 0.3 1 846 88 88 VAL N N 126.978 0.3 1 847 89 89 LEU H H 9.103 0.020 1 848 89 89 LEU HA H 5.593 0.020 1 849 89 89 LEU HB2 H 1.523 0.020 2 850 89 89 LEU HB3 H 1.153 0.020 2 851 89 89 LEU HG H 1.574 0.020 1 852 89 89 LEU HD1 H 0.649 0.020 2 853 89 89 LEU HD2 H 0.756 0.020 2 854 89 89 LEU C C 176.166 0.3 1 855 89 89 LEU CA C 52.618 0.3 1 856 89 89 LEU CB C 43.949 0.3 1 857 89 89 LEU CG C 26.554 0.3 1 858 89 89 LEU CD1 C 24.588 0.3 1 859 89 89 LEU CD2 C 22.903 0.3 1 860 89 89 LEU N N 124.449 0.3 1 861 90 90 ILE H H 9.272 0.020 1 862 90 90 ILE HA H 4.889 0.020 1 863 90 90 ILE HB H 1.778 0.020 1 864 90 90 ILE HG12 H 1.208 0.020 2 865 90 90 ILE HG13 H 0.767 0.020 2 866 90 90 ILE HG2 H 0.603 0.020 1 867 90 90 ILE HD1 H 0.289 0.020 1 868 90 90 ILE C C 174.649 0.3 1 869 90 90 ILE CA C 59.452 0.3 1 870 90 90 ILE CB C 38.167 0.3 1 871 90 90 ILE CG1 C 26.905 0.3 1 872 90 90 ILE CG2 C 16.935 0.3 1 873 90 90 ILE CD1 C 10.721 0.3 1 874 90 90 ILE N N 122.851 0.3 1 875 91 91 ILE H H 9.368 0.020 1 876 91 91 ILE HA H 4.757 0.020 1 877 91 91 ILE HB H 1.907 0.020 1 878 91 91 ILE HG12 H 1.660 0.020 1 879 91 91 ILE HG13 H 1.660 0.020 1 880 91 91 ILE HG2 H 0.969 0.020 1 881 91 91 ILE HD1 H 0.854 0.020 1 882 91 91 ILE C C 175.862 0.3 1 883 91 91 ILE CA C 59.809 0.3 1 884 91 91 ILE CB C 41.295 0.3 1 885 91 91 ILE CG1 C 27.186 0.3 1 886 91 91 ILE CG2 C 17.425 0.3 1 887 91 91 ILE CD1 C 15.157 0.3 1 888 91 91 ILE N N 127.856 0.3 1 889 92 92 ALA H H 9.122 0.020 1 890 92 92 ALA HA H 4.803 0.020 1 891 92 92 ALA HB H 1.453 0.020 1 892 92 92 ALA C C 175.104 0.3 1 893 92 92 ALA CA C 51.700 0.3 1 894 92 92 ALA CB C 19.618 0.3 1 895 92 92 ALA N N 129.507 0.3 1 896 93 93 SER H H 9.154 0.020 1 897 93 93 SER HA H 4.909 0.020 1 898 93 93 SER HB2 H 4.368 0.020 2 899 93 93 SER HB3 H 3.983 0.020 2 900 93 93 SER C C 177.295 0.3 1 901 93 93 SER CA C 55.678 0.3 1 902 93 93 SER CB C 65.981 0.3 1 903 93 93 SER N N 121.866 0.3 1 904 94 94 ASP H H 9.150 0.020 1 905 94 94 ASP HA H 4.365 0.020 1 906 94 94 ASP HB2 H 2.658 0.020 1 907 94 94 ASP HB3 H 2.658 0.020 1 908 94 94 ASP C C 176.895 0.3 1 909 94 94 ASP CA C 56.953 0.3 1 910 94 94 ASP CB C 40.071 0.3 1 911 94 94 ASP N N 120.162 0.3 1 912 95 95 ASP H H 8.340 0.020 1 913 95 95 ASP HA H 4.745 0.020 1 914 95 95 ASP HB2 H 2.694 0.020 2 915 95 95 ASP HB3 H 2.573 0.020 2 916 95 95 ASP C C 176.650 0.3 1 917 95 95 ASP CA C 53.230 0.3 1 918 95 95 ASP CB C 41.456 0.3 1 919 95 95 ASP N N 115.477 0.3 1 920 96 96 GLY H H 7.117 0.020 1 921 96 96 GLY HA2 H 3.528 0.020 1 922 96 96 GLY HA3 H 3.528 0.020 1 923 96 96 GLY C C 170.300 0.3 1 924 96 96 GLY CA C 45.030 0.3 1 925 96 96 GLY N N 111.575 0.3 1 926 97 97 PHE H H 8.865 0.020 1 927 97 97 PHE HA H 5.508 0.020 1 928 97 97 PHE HB2 H 2.813 0.020 2 929 97 97 PHE HB3 H 2.687 0.020 2 930 97 97 PHE HD1 H 7.210 0.020 1 931 97 97 PHE HD2 H 7.210 0.020 1 932 97 97 PHE C C 175.184 0.3 1 933 97 97 PHE CA C 55.703 0.3 1 934 97 97 PHE CB C 41.334 0.3 1 935 97 97 PHE CD1 C 130.801 0.3 1 936 97 97 PHE CD2 C 130.801 0.3 1 937 97 97 PHE N N 116.568 0.3 1 938 98 98 LYS H H 9.462 0.020 1 939 98 98 LYS HA H 4.757 0.020 1 940 98 98 LYS HB2 H 1.808 0.020 1 941 98 98 LYS HB3 H 1.808 0.020 1 942 98 98 LYS HG2 H 1.411 0.020 1 943 98 98 LYS HG3 H 1.411 0.020 1 944 98 98 LYS C C 174.919 0.3 1 945 98 98 LYS CA C 55.117 0.3 1 946 98 98 LYS CB C 33.746 0.3 1 947 98 98 LYS CG C 26.343 0.3 1 948 98 98 LYS N N 122.585 0.3 1 949 99 99 ALA H H 9.064 0.020 1 950 99 99 ALA HA H 5.382 0.020 1 951 99 99 ALA HB H 1.403 0.020 1 952 99 99 ALA C C 174.931 0.3 1 953 99 99 ALA CA C 50.016 0.3 1 954 99 99 ALA CB C 18.891 0.3 1 955 99 99 ALA N N 125.247 0.3 1 956 100 100 VAL H H 9.548 0.020 1 957 100 100 VAL HA H 4.370 0.020 1 958 100 100 VAL HB H 1.733 0.020 1 959 100 100 VAL HG1 H 0.396 0.020 2 960 100 100 VAL HG2 H -0.068 0.020 2 961 100 100 VAL C C 174.666 0.3 1 962 100 100 VAL CA C 61.339 0.3 1 963 100 100 VAL CB C 33.241 0.3 1 964 100 100 VAL CG1 C 20.455 0.3 1 965 100 100 VAL CG2 C 19.164 0.3 1 966 100 100 VAL N N 128.389 0.3 1 967 101 101 VAL H H 8.088 0.020 1 968 101 101 VAL HA H 4.734 0.020 1 969 101 101 VAL HB H 1.733 0.020 1 970 101 101 VAL HG1 H 0.653 0.020 2 971 101 101 VAL HG2 H 0.441 0.020 2 972 101 101 VAL C C 176.216 0.3 1 973 101 101 VAL CA C 60.829 0.3 1 974 101 101 VAL CB C 33.014 0.3 1 975 101 101 VAL CG1 C 19.673 0.3 1 976 101 101 VAL CG2 C 20.866 0.3 1 977 101 101 VAL N N 125.593 0.3 1 978 102 102 GLY H H 8.871 0.020 1 979 102 102 GLY HA2 H 3.953 0.020 2 980 102 102 GLY HA3 H 3.787 0.020 2 981 102 102 GLY C C 174.138 0.3 1 982 102 102 GLY CA C 47.581 0.3 1 983 102 102 GLY N N 118.219 0.3 1 984 103 103 ASP H H 9.003 0.020 1 985 103 103 ASP HA H 4.694 0.020 1 986 103 103 ASP HB2 H 2.955 0.020 2 987 103 103 ASP HB3 H 2.543 0.020 2 988 103 103 ASP C C 174.038 0.3 1 989 103 103 ASP CA C 53.816 0.3 1 990 103 103 ASP CB C 41.511 0.3 1 991 103 103 ASP N N 124.927 0.3 1 992 104 104 ALA H H 7.745 0.020 1 993 104 104 ALA HA H 4.937 0.020 1 994 104 104 ALA HB H 1.456 0.020 1 995 104 104 ALA C C 174.531 0.3 1 996 104 104 ALA CA C 50.731 0.3 1 997 104 104 ALA CB C 21.913 0.3 1 998 104 104 ALA N N 120.189 0.3 1 999 105 105 GLN H H 9.195 0.020 1 1000 105 105 GLN HA H 4.140 0.020 1 1001 105 105 GLN HB2 H 2.226 0.020 1 1002 105 105 GLN HB3 H 2.226 0.020 1 1003 105 105 GLN HG2 H 2.352 0.020 1 1004 105 105 GLN HG3 H 2.352 0.020 1 1005 105 105 GLN HE21 H 7.567 0.020 1 1006 105 105 GLN HE22 H 6.685 0.020 1 1007 105 105 GLN C C 174.345 0.3 1 1008 105 105 GLN CA C 57.565 0.3 1 1009 105 105 GLN CB C 27.881 0.3 1 1010 105 105 GLN CG C 33.927 0.3 1 1011 105 105 GLN CD C 178.563 0.3 1 1012 105 105 GLN N N 122.718 0.3 1 1013 105 105 GLN NE2 N 110.287 0.3 1 1014 106 106 TYR H H 9.366 0.020 1 1015 106 106 TYR HA H 4.830 0.020 1 1016 106 106 TYR HB2 H 3.269 0.020 2 1017 106 106 TYR HB3 H 2.867 0.020 2 1018 106 106 TYR HD1 H 7.259 0.020 1 1019 106 106 TYR HD2 H 7.259 0.020 1 1020 106 106 TYR HE1 H 6.852 0.020 1 1021 106 106 TYR HE2 H 6.852 0.020 1 1022 106 106 TYR C C 173.600 0.3 1 1023 106 106 TYR CA C 59.401 0.3 1 1024 106 106 TYR CB C 41.379 0.3 1 1025 106 106 TYR CD1 C 132.848 0.3 1 1026 106 106 TYR CD2 C 132.779 0.3 1 1027 106 106 TYR CE1 C 117.295 0.3 1 1028 106 106 TYR CE2 C 117.295 0.3 1 1029 106 106 TYR N N 129.640 0.3 1 1030 107 107 HIS H H 7.906 0.020 1 1031 107 107 HIS HA H 4.603 0.020 1 1032 107 107 HIS HB2 H 2.621 0.020 2 1033 107 107 HIS HB3 H 2.273 0.020 2 1034 107 107 HIS HD2 H 4.970 0.020 1 1035 107 107 HIS C C 171.767 0.3 1 1036 107 107 HIS CA C 56.328 0.3 1 1037 107 107 HIS CB C 36.025 0.3 1 1038 107 107 HIS CD2 C 115.436 0.3 1 1039 107 107 HIS N N 114.476 0.3 1 1040 108 108 HIS H H 7.126 0.020 1 1041 108 108 HIS HA H 5.045 0.020 1 1042 108 108 HIS HB2 H 2.771 0.020 2 1043 108 108 HIS HB3 H 2.630 0.020 2 1044 108 108 HIS HD2 H 6.453 0.020 1 1045 108 108 HIS C C 172.019 0.3 1 1046 108 108 HIS CA C 54.454 0.3 1 1047 108 108 HIS CB C 31.634 0.3 1 1048 108 108 HIS CD2 C 118.829 0.3 1 1049 108 108 HIS N N 126.419 0.3 1 1050 109 109 PHE H H 8.766 0.020 1 1051 109 109 PHE HA H 4.716 0.020 1 1052 109 109 PHE HB2 H 3.213 0.020 2 1053 109 109 PHE HB3 H 2.397 0.020 2 1054 109 109 PHE HD1 H 6.955 0.020 1 1055 109 109 PHE HD2 H 6.955 0.020 1 1056 109 109 PHE C C 173.317 0.3 1 1057 109 109 PHE CA C 54.505 0.3 1 1058 109 109 PHE CB C 41.914 0.3 1 1059 109 109 PHE CD1 C 129.206 0.3 1 1060 109 109 PHE CD2 C 129.206 0.3 1 1061 109 109 PHE N N 128.628 0.3 1 1062 110 110 ARG H H 8.629 0.020 1 1063 110 110 ARG HA H 3.976 0.020 1 1064 110 110 ARG HB2 H 1.517 0.020 1 1065 110 110 ARG HB3 H 1.517 0.020 1 1066 110 110 ARG HG2 H 1.624 0.020 1 1067 110 110 ARG HG3 H 1.624 0.020 1 1068 110 110 ARG HD2 H 3.099 0.020 1 1069 110 110 ARG HD3 H 3.099 0.020 1 1070 110 110 ARG C C 175.812 0.3 1 1071 110 110 ARG CA C 56.596 0.3 1 1072 110 110 ARG CB C 29.493 0.3 1 1073 110 110 ARG CG C 27.748 0.3 1 1074 110 110 ARG CD C 42.845 0.3 1 1075 110 110 ARG N N 129.241 0.3 1 1076 111 111 HIS H H 7.203 0.020 1 1077 111 111 HIS HA H 4.606 0.020 1 1078 111 111 HIS HB2 H 2.941 0.020 2 1079 111 111 HIS HB3 H 2.726 0.020 2 1080 111 111 HIS HD2 H 6.803 0.020 1 1081 111 111 HIS C C 177.211 0.3 1 1082 111 111 HIS CA C 58.228 0.3 1 1083 111 111 HIS CB C 31.206 0.3 1 1084 111 111 HIS CD2 C 118.073 0.3 1 1085 111 111 HIS N N 118.538 0.3 1 1086 112 112 ARG H H 9.711 0.020 1 1087 112 112 ARG HA H 4.476 0.020 1 1088 112 112 ARG HB2 H 1.760 0.020 1 1089 112 112 ARG HB3 H 1.760 0.020 1 1090 112 112 ARG HG2 H 1.571 0.020 1 1091 112 112 ARG HG3 H 1.571 0.020 1 1092 112 112 ARG HD2 H 3.308 0.020 1 1093 112 112 ARG HD3 H 3.308 0.020 1 1094 112 112 ARG C C 175.604 0.3 1 1095 112 112 ARG CA C 56.902 0.3 1 1096 112 112 ARG CB C 31.609 0.3 1 1097 112 112 ARG CG C 26.063 0.3 1 1098 112 112 ARG CD C 43.126 0.3 1 1099 112 112 ARG N N 122.990 0.3 1 1100 113 113 LEU H H 8.550 0.020 1 1101 113 113 LEU HA H 4.749 0.020 1 1102 113 113 LEU HB2 H 1.523 0.020 2 1103 113 113 LEU HB3 H 1.399 0.020 2 1104 113 113 LEU HG H 1.742 0.020 1 1105 113 113 LEU HD1 H 0.854 0.020 1 1106 113 113 LEU HD2 H 0.854 0.020 1 1107 113 113 LEU C C 173.521 0.3 1 1108 113 113 LEU CA C 52.567 0.3 1 1109 113 113 LEU CB C 42.450 0.3 1 1110 113 113 LEU CG C 28.450 0.3 1 1111 113 113 LEU CD1 C 25.220 0.3 1 1112 113 113 LEU N N 121.973 0.3 1 1113 114 114 PRO HA H 4.212 0.020 1 1114 114 114 PRO HB2 H 2.327 0.020 2 1115 114 114 PRO HB3 H 1.742 0.020 2 1116 114 114 PRO HG2 H 2.015 0.020 1 1117 114 114 PRO HG3 H 2.015 0.020 1 1118 114 114 PRO C C 177.211 0.3 1 1119 114 114 PRO CA C 62.787 0.3 1 1120 114 114 PRO CB C 31.597 0.3 1 1121 114 114 PRO CG C 27.173 0.3 1 1122 115 115 LEU H H 8.118 0.020 1 1123 115 115 LEU HA H 3.759 0.020 1 1124 115 115 LEU HB2 H 1.446 0.020 2 1125 115 115 LEU HB3 H 1.088 0.020 2 1126 115 115 LEU HG H 1.230 0.020 1 1127 115 115 LEU HD1 H 0.620 0.020 2 1128 115 115 LEU HD2 H 0.531 0.020 2 1129 115 115 LEU C C 178.728 0.3 1 1130 115 115 LEU CA C 56.953 0.3 1 1131 115 115 LEU CB C 41.380 0.3 1 1132 115 115 LEU CG C 25.922 0.3 1 1133 115 115 LEU CD1 C 24.728 0.3 1 1134 115 115 LEU CD2 C 24.447 0.3 1 1135 115 115 LEU N N 125.753 0.3 1 1136 116 116 ALA H H 8.270 0.020 1 1137 116 116 ALA HA H 4.242 0.020 1 1138 116 116 ALA HB H 1.397 0.020 1 1139 116 116 ALA C C 178.125 0.3 1 1140 116 116 ALA CA C 53.791 0.3 1 1141 116 116 ALA CB C 18.483 0.3 1 1142 116 116 ALA N N 117.340 0.3 1 1143 117 117 ARG H H 7.706 0.020 1 1144 117 117 ARG HA H 4.146 0.020 1 1145 117 117 ARG HB2 H 2.129 0.020 1 1146 117 117 ARG HG2 H 1.844 0.020 1 1147 117 117 ARG HD2 H 3.075 0.020 1 1148 117 117 ARG HD3 H 3.075 0.020 1 1149 117 117 ARG C C 176.992 0.3 1 1150 117 117 ARG CA C 57.103 0.3 1 1151 117 117 ARG CB C 31.313 0.3 1 1152 117 117 ARG CG C 28.315 0.3 1 1153 117 117 ARG CD C 43.365 0.3 1 1154 117 117 ARG N N 113.723 0.3 1 1155 118 118 VAL H H 7.445 0.020 1 1156 118 118 VAL HA H 3.558 0.020 1 1157 118 118 VAL HB H 2.121 0.020 1 1158 118 118 VAL HG1 H 0.994 0.020 2 1159 118 118 VAL HG2 H 0.874 0.020 2 1160 118 118 VAL C C 176.048 0.3 1 1161 118 118 VAL CA C 65.121 0.3 1 1162 118 118 VAL CB C 31.330 0.3 1 1163 118 118 VAL CG1 C 23.311 0.3 1 1164 118 118 VAL CG2 C 22.309 0.3 1 1165 118 118 VAL N N 118.552 0.3 1 1166 119 119 ARG H H 9.040 0.020 1 1167 119 119 ARG HA H 5.090 0.020 1 1168 119 119 ARG HB2 H 1.962 0.020 2 1169 119 119 ARG HB3 H 1.840 0.020 2 1170 119 119 ARG HG2 H 1.609 0.020 1 1171 119 119 ARG HG3 H 1.609 0.020 1 1172 119 119 ARG C C 175.475 0.3 1 1173 119 119 ARG CA C 54.454 0.3 1 1174 119 119 ARG CB C 33.899 0.3 1 1175 119 119 ARG CG C 25.878 0.3 1 1176 119 119 ARG N N 123.570 0.3 1 1177 120 120 LEU H H 8.083 0.020 1 1178 120 120 LEU HA H 5.000 0.020 1 1179 120 120 LEU HB2 H 1.640 0.020 2 1180 120 120 LEU HB3 H 1.366 0.020 2 1181 120 120 LEU HG H 1.454 0.020 1 1182 120 120 LEU HD1 H 0.797 0.020 1 1183 120 120 LEU HD2 H 0.797 0.020 1 1184 120 120 LEU C C 173.666 0.3 1 1185 120 120 LEU CA C 55.117 0.3 1 1186 120 120 LEU CB C 46.305 0.3 1 1187 120 120 LEU CG C 26.721 0.3 1 1188 120 120 LEU CD1 C 25.176 0.3 1 1189 120 120 LEU N N 122.798 0.3 1 1190 121 121 VAL H H 8.809 0.020 1 1191 121 121 VAL HA H 5.117 0.020 1 1192 121 121 VAL HB H 1.930 0.020 1 1193 121 121 VAL HG1 H 0.834 0.020 1 1194 121 121 VAL HG2 H 0.834 0.020 1 1195 121 121 VAL C C 173.317 0.3 1 1196 121 121 VAL CA C 60.060 0.3 1 1197 121 121 VAL CB C 33.727 0.3 1 1198 121 121 VAL CG1 C 20.227 0.3 1 1199 121 121 VAL CG2 C 20.227 0.3 1 1200 121 121 VAL N N 123.520 0.3 1 1201 122 122 GLU H H 9.311 0.020 1 1202 122 122 GLU HA H 5.544 0.020 1 1203 122 122 GLU HB2 H 2.071 0.020 1 1204 122 122 GLU HB3 H 2.071 0.020 1 1205 122 122 GLU HG2 H 2.208 0.020 1 1206 122 122 GLU HG3 H 2.208 0.020 1 1207 122 122 GLU C C 174.653 0.3 1 1208 122 122 GLU CA C 54.202 0.3 1 1209 122 122 GLU CB C 33.977 0.3 1 1210 122 122 GLU CG C 36.806 0.3 1 1211 122 122 GLU N N 128.181 0.3 1 1212 123 123 VAL H H 9.154 0.020 1 1213 123 123 VAL HA H 5.106 0.020 1 1214 123 123 VAL HB H 2.024 0.020 1 1215 123 123 VAL HG1 H 0.964 0.020 1 1216 123 123 VAL HG2 H 0.964 0.020 1 1217 123 123 VAL C C 174.763 0.3 1 1218 123 123 VAL CA C 60.064 0.3 1 1219 123 123 VAL CB C 33.731 0.3 1 1220 123 123 VAL CG1 C 20.921 0.3 1 1221 123 123 VAL N N 126.419 0.3 1 1222 124 124 GLY H H 8.024 0.020 1 1223 124 124 GLY HA2 H 4.491 0.020 2 1224 124 124 GLY HA3 H 3.651 0.020 2 1225 124 124 GLY C C 170.856 0.3 1 1226 124 124 GLY CA C 44.478 0.3 1 1227 124 124 GLY N N 112.239 0.3 1 1228 125 125 GLY H H 8.448 0.020 1 1229 125 125 GLY HA2 H 4.283 0.020 2 1230 125 125 GLY HA3 H 3.842 0.020 2 1231 125 125 GLY C C 174.345 0.3 1 1232 125 125 GLY CA C 44.446 0.3 1 1233 125 125 GLY N N 105.639 0.3 1 1234 126 126 ASP H H 8.897 0.020 1 1235 126 126 ASP HA H 4.670 0.020 1 1236 126 126 ASP HB2 H 2.813 0.020 2 1237 126 126 ASP HB3 H 2.583 0.020 2 1238 126 126 ASP C C 170.806 0.3 1 1239 126 126 ASP CA C 52.591 0.3 1 1240 126 126 ASP CB C 39.635 0.3 1 1241 126 126 ASP N N 123.801 0.3 1 1242 127 127 VAL H H 7.474 0.020 1 1243 127 127 VAL HA H 4.024 0.020 1 1244 127 127 VAL HB H 1.011 0.020 1 1245 127 127 VAL HG1 H 0.224 0.020 2 1246 127 127 VAL HG2 H 0.106 0.020 2 1247 127 127 VAL C C 171.446 0.3 1 1248 127 127 VAL CA C 59.472 0.3 1 1249 127 127 VAL CB C 33.455 0.3 1 1250 127 127 VAL CG1 C 17.526 0.3 1 1251 127 127 VAL CG2 C 21.033 0.3 1 1252 127 127 VAL N N 117.112 0.3 1 1253 128 128 GLN H H 8.105 0.020 1 1254 128 128 GLN HA H 4.592 0.020 1 1255 128 128 GLN HB2 H 1.980 0.020 2 1256 128 128 GLN HB3 H 1.819 0.020 2 1257 128 128 GLN HG2 H 2.121 0.020 1 1258 128 128 GLN HG3 H 2.121 0.020 1 1259 128 128 GLN HE21 H 7.626 0.020 1 1260 128 128 GLN HE22 H 6.675 0.020 1 1261 128 128 GLN C C 174.716 0.3 1 1262 128 128 GLN CA C 53.842 0.3 1 1263 128 128 GLN CB C 29.309 0.3 1 1264 128 128 GLN CG C 33.358 0.3 1 1265 128 128 GLN CD C 179.351 0.3 1 1266 128 128 GLN N N 127.058 0.3 1 1267 128 128 GLN NE2 N 111.621 0.3 1 1268 129 129 LEU H H 8.932 0.020 1 1269 129 129 LEU HA H 4.157 0.020 1 1270 129 129 LEU HB2 H 1.459 0.020 2 1271 129 129 LEU HB3 H 1.163 0.020 2 1272 129 129 LEU HG H 1.314 0.020 1 1273 129 129 LEU HD1 H 0.640 0.020 2 1274 129 129 LEU HD2 H 0.509 0.020 2 1275 129 129 LEU C C 175.340 0.3 1 1276 129 129 LEU CA C 54.454 0.3 1 1277 129 129 LEU CB C 43.093 0.3 1 1278 129 129 LEU CG C 26.019 0.3 1 1279 129 129 LEU CD1 C 23.956 0.3 1 1280 129 129 LEU CD2 C 23.605 0.3 1 1281 129 129 LEU N N 126.996 0.3 1 1282 130 130 ASP H H 8.943 0.020 1 1283 130 130 ASP HA H 4.710 0.020 1 1284 130 130 ASP HB2 H 2.388 0.020 2 1285 130 130 ASP HB3 H 2.270 0.020 2 1286 130 130 ASP C C 175.976 0.3 1 1287 130 130 ASP CA C 55.443 0.3 1 1288 130 130 ASP CB C 42.309 0.3 1 1289 130 130 ASP N N 124.800 0.3 1 1290 131 131 SER H H 7.645 0.020 1 1291 131 131 SER HA H 4.409 0.020 1 1292 131 131 SER HB2 H 3.885 0.020 2 1293 131 131 SER HB3 H 3.556 0.020 2 1294 131 131 SER C C 172.289 0.3 1 1295 131 131 SER CA C 57.160 0.3 1 1296 131 131 SER CB C 64.189 0.3 1 1297 131 131 SER N N 107.211 0.3 1 1298 132 132 VAL H H 8.277 0.020 1 1299 132 132 VAL HA H 4.534 0.020 1 1300 132 132 VAL HB H 1.547 0.020 1 1301 132 132 VAL HG1 H 0.614 0.020 2 1302 132 132 VAL HG2 H 0.519 0.020 2 1303 132 132 VAL C C 174.581 0.3 1 1304 132 132 VAL CA C 61.390 0.3 1 1305 132 132 VAL CB C 33.747 0.3 1 1306 132 132 VAL CG1 C 21.487 0.3 1 1307 132 132 VAL CG2 C 19.670 0.3 1 1308 132 132 VAL N N 122.562 0.3 1 1309 133 133 ARG H H 8.619 0.020 1 1310 133 133 ARG HA H 4.574 0.020 1 1311 133 133 ARG HB2 H 1.280 0.020 1 1312 133 133 ARG HB3 H 1.280 0.020 1 1313 133 133 ARG C C 173.081 0.3 1 1314 133 133 ARG CA C 52.567 0.3 1 1315 133 133 ARG CB C 34.256 0.3 1 1316 133 133 ARG N N 126.019 0.3 1 1317 134 134 ILE H H 8.004 0.020 1 1318 134 134 ILE HA H 4.704 0.020 1 1319 134 134 ILE HB H 1.594 0.020 1 1320 134 134 ILE HG12 H 1.344 0.020 1 1321 134 134 ILE HG2 H 0.889 0.020 1 1322 134 134 ILE HD1 H 0.754 0.020 1 1323 134 134 ILE C C 174.278 0.3 1 1324 134 134 ILE CA C 60.064 0.3 1 1325 134 134 ILE CB C 39.023 0.3 1 1326 134 134 ILE CG1 C 28.380 0.3 1 1327 134 134 ILE CG2 C 19.883 0.3 1 1328 134 134 ILE CD1 C 14.230 0.3 1 1329 134 134 ILE N N 122.132 0.3 1 1330 135 135 PHE H H 9.411 0.020 1 1331 135 135 PHE HA H 4.855 0.020 1 1332 135 135 PHE HB2 H 3.132 0.020 2 1333 135 135 PHE HB3 H 2.647 0.020 2 1334 135 135 PHE HD1 H 6.968 0.020 1 1335 135 135 PHE HD2 H 6.968 0.020 1 1336 135 135 PHE C C 180.552 0.3 1 1337 135 135 PHE CA C 56.953 0.3 1 1338 135 135 PHE CB C 42.343 0.3 1 1339 135 135 PHE CD1 C 130.281 0.3 1 1340 135 135 PHE CD2 C 130.281 0.3 1 1341 135 135 PHE N N 131.716 0.3 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCA' '3D HN(CO)CA' '3D 1H-15N NOESY' '3D HNCO' '3D HN(COCA)CB' '3D HNCACO' '3D HCCH-TOCSY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'galectin-7, chain 2' _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 2 2 ASN HA H 4.851 0.020 1 2 2 2 ASN HB2 H 2.892 0.020 2 3 2 2 ASN HB3 H 2.774 0.020 2 4 2 2 ASN C C 174.565 0.3 1 5 2 2 ASN CA C 52.638 0.3 1 6 2 2 ASN CB C 38.820 0.3 1 7 3 3 VAL H H 8.327 0.020 1 8 3 3 VAL HA H 4.494 0.020 1 9 3 3 VAL HB H 2.105 0.020 1 10 3 3 VAL HG1 H 0.984 0.020 1 11 3 3 VAL HG2 H 0.929 0.020 1 12 3 3 VAL C C 174.050 0.3 1 13 3 3 VAL CA C 59.503 0.3 1 14 3 3 VAL CB C 32.598 0.3 1 15 3 3 VAL CG1 C 20.858 0.3 1 16 3 3 VAL CG2 C 20.282 0.3 1 17 3 3 VAL N N 122.898 0.3 1 18 4 4 PRO HA H 4.644 0.020 1 19 4 4 PRO HB2 H 2.071 0.020 2 20 4 4 PRO HB3 H 1.847 0.020 2 21 4 4 PRO HG2 H 2.349 0.020 2 22 4 4 PRO HG3 H 1.974 0.020 2 23 4 4 PRO HD2 H 3.947 0.020 1 24 4 4 PRO HD3 H 3.947 0.020 1 25 4 4 PRO C C 175.850 0.3 1 26 4 4 PRO CA C 62.861 0.3 1 27 4 4 PRO CB C 32.099 0.3 1 28 4 4 PRO CG C 27.057 0.3 1 29 4 4 PRO CD C 50.657 0.3 1 30 5 5 HIS H H 9.289 0.020 1 31 5 5 HIS HA H 4.734 0.020 1 32 5 5 HIS HB2 H 3.265 0.020 1 33 5 5 HIS HB3 H 3.265 0.020 1 34 5 5 HIS C C 174.348 0.3 1 35 5 5 HIS CA C 55.729 0.3 1 36 5 5 HIS CB C 33.026 0.3 1 37 5 5 HIS N N 124.156 0.3 1 38 6 6 LYS H H 8.043 0.020 1 39 6 6 LYS HA H 5.417 0.020 1 40 6 6 LYS HB2 H 1.612 0.020 1 41 6 6 LYS HB3 H 1.612 0.020 1 42 6 6 LYS HG2 H 1.357 0.020 2 43 6 6 LYS HG3 H 1.265 0.020 2 44 6 6 LYS HE2 H 2.847 0.020 1 45 6 6 LYS HE3 H 2.847 0.020 1 46 6 6 LYS C C 175.323 0.3 1 47 6 6 LYS CA C 54.556 0.3 1 48 6 6 LYS CB C 35.597 0.3 1 49 6 6 LYS N N 126.419 0.3 1 50 7 7 SER H H 8.884 0.020 1 51 7 7 SER HA H 4.723 0.020 1 52 7 7 SER HB2 H 3.770 0.020 2 53 7 7 SER HB3 H 3.584 0.020 2 54 7 7 SER C C 172.951 0.3 1 55 7 7 SER CA C 58.002 0.3 1 56 7 7 SER CB C 65.177 0.3 1 57 7 7 SER N N 117.953 0.3 1 58 8 8 SER H H 8.849 0.020 1 59 8 8 SER HA H 4.498 0.020 1 60 8 8 SER HB2 H 3.818 0.020 1 61 8 8 SER HB3 H 3.818 0.020 1 62 8 8 SER C C 173.381 0.3 1 63 8 8 SER CA C 58.891 0.3 1 64 8 8 SER CB C 63.593 0.3 1 65 8 8 SER N N 121.073 0.3 1 66 9 9 LEU H H 7.916 0.020 1 67 9 9 LEU HA H 4.845 0.020 1 68 9 9 LEU HB2 H 1.366 0.020 1 69 9 9 LEU HG H 1.227 0.020 1 70 9 9 LEU HD1 H 0.622 0.020 1 71 9 9 LEU HD2 H 0.743 0.020 1 72 9 9 LEU C C 174.479 0.3 1 73 9 9 LEU CA C 51.955 0.3 1 74 9 9 LEU CB C 41.838 0.3 1 75 9 9 LEU CG C 25.773 0.3 1 76 9 9 LEU CD1 C 23.419 0.3 1 77 9 9 LEU CD2 C 26.481 0.3 1 78 9 9 LEU N N 124.928 0.3 1 79 10 10 PRO HA H 4.276 0.020 1 80 10 10 PRO HB2 H 2.344 0.020 2 81 10 10 PRO HB3 H 1.995 0.020 2 82 10 10 PRO HD2 H 3.769 0.020 2 83 10 10 PRO HD3 H 3.552 0.020 2 84 10 10 PRO C C 177.480 0.3 1 85 10 10 PRO CA C 64.819 0.3 1 86 10 10 PRO CB C 31.838 0.3 1 87 10 10 PRO CD C 49.981 0.3 1 88 11 11 GLU H H 8.638 0.020 1 89 11 11 GLU HA H 4.445 0.020 1 90 11 11 GLU HB2 H 1.817 0.020 1 91 11 11 GLU HB3 H 1.817 0.020 1 92 11 11 GLU HG2 H 2.149 0.020 1 93 11 11 GLU HG3 H 2.149 0.020 1 94 11 11 GLU C C 176.785 0.3 1 95 11 11 GLU CA C 54.454 0.3 1 96 11 11 GLU CB C 29.493 0.3 1 97 11 11 GLU CG C 36.315 0.3 1 98 11 11 GLU N N 115.424 0.3 1 99 12 12 GLY H H 7.758 0.020 1 100 12 12 GLY HA2 H 4.118 0.020 2 101 12 12 GLY HA3 H 4.180 0.020 2 102 12 12 GLY C C 172.559 0.3 1 103 12 12 GLY CA C 44.576 0.3 1 104 12 12 GLY N N 108.456 0.3 1 105 13 13 ILE H H 8.184 0.020 1 106 13 13 ILE HA H 4.473 0.020 1 107 13 13 ILE HB H 1.823 0.020 1 108 13 13 ILE HG12 H 1.421 0.020 2 109 13 13 ILE HG13 H 1.003 0.020 2 110 13 13 ILE HG2 H 0.865 0.020 1 111 13 13 ILE HD1 H 0.630 0.020 1 112 13 13 ILE C C 173.048 0.3 1 113 13 13 ILE N N 114.819 0.3 1 114 14 14 ARG H H 7.895 0.020 1 115 14 14 ARG HA H 4.720 0.020 1 116 14 14 ARG HB2 H 1.823 0.020 1 117 14 14 ARG HB3 H 1.823 0.020 1 118 14 14 ARG HG2 H 1.524 0.020 1 119 14 14 ARG HG3 H 1.524 0.020 1 120 14 14 ARG HD2 H 3.157 0.020 1 121 14 14 ARG CA C 53.230 0.3 1 122 14 14 ARG CB C 30.671 0.3 1 123 14 14 ARG CG C 25.782 0.3 1 124 14 14 ARG CD C 42.775 0.3 1 125 14 14 ARG N N 120.588 0.3 1 126 15 15 PRO C C 176.861 0.3 1 127 15 15 PRO CA C 63.684 0.3 1 128 15 15 PRO CB C 31.694 0.3 1 129 16 16 GLY H H 9.256 0.020 1 130 16 16 GLY HA2 H 4.560 0.020 2 131 16 16 GLY HA3 H 3.161 0.020 2 132 16 16 GLY C C 173.132 0.3 1 133 16 16 GLY CA C 45.083 0.3 1 134 16 16 GLY N N 111.597 0.3 1 135 17 17 THR H H 8.126 0.020 1 136 17 17 THR HA H 4.846 0.020 1 137 17 17 THR HB H 4.010 0.020 1 138 17 17 THR HG2 H 1.220 0.020 1 139 17 17 THR C C 172.930 0.3 1 140 17 17 THR CA C 63.839 0.3 1 141 17 17 THR CB C 69.436 0.3 1 142 17 17 THR CG2 C 20.844 0.3 1 143 17 17 THR N N 119.888 0.3 1 144 18 18 VAL H H 9.261 0.020 1 145 18 18 VAL HA H 4.720 0.020 1 146 18 18 VAL HB H 2.131 0.020 1 147 18 18 VAL HG1 H 1.032 0.020 1 148 18 18 VAL HG2 H 0.865 0.020 1 149 18 18 VAL C C 172.913 0.3 1 150 18 18 VAL CA C 60.727 0.3 1 151 18 18 VAL CB C 35.811 0.3 1 152 18 18 VAL CG1 C 23.465 0.3 1 153 18 18 VAL CG2 C 21.384 0.3 1 154 18 18 VAL N N 127.457 0.3 1 155 19 19 LEU H H 9.167 0.020 1 156 19 19 LEU HA H 5.145 0.020 1 157 19 19 LEU HB2 H 1.559 0.020 1 158 19 19 LEU HB3 H 1.559 0.020 1 159 19 19 LEU HG H 1.491 0.020 1 160 19 19 LEU HD1 H 0.753 0.020 1 161 19 19 LEU HD2 H 0.688 0.020 1 162 19 19 LEU C C 174.282 0.3 1 163 19 19 LEU CA C 53.230 0.3 1 164 19 19 LEU CB C 43.093 0.3 1 165 19 19 LEU CG C 27.818 0.3 1 166 19 19 LEU CD1 C 24.447 0.3 1 167 19 19 LEU CD2 C 27.186 0.3 1 168 19 19 LEU N N 127.537 0.3 1 169 20 20 ARG H H 9.454 0.020 1 170 20 20 ARG HA H 5.333 0.020 1 171 20 20 ARG HB2 H 1.968 0.020 1 172 20 20 ARG HB3 H 1.968 0.020 1 173 20 20 ARG HG2 H 1.579 0.020 1 174 20 20 ARG HG3 H 1.579 0.020 1 175 20 20 ARG C C 175.104 0.3 1 176 20 20 ARG CA C 54.454 0.3 1 177 20 20 ARG CB C 33.776 0.3 1 178 20 20 ARG CG C 25.992 0.3 1 179 20 20 ARG N N 125.966 0.3 1 180 21 21 ILE H H 9.595 0.020 1 181 21 21 ILE HA H 4.816 0.020 1 182 21 21 ILE HB H 1.820 0.020 1 183 21 21 ILE HG12 H 1.494 0.020 2 184 21 21 ILE HG13 H 0.978 0.020 2 185 21 21 ILE HG2 H 0.854 0.020 1 186 21 21 ILE HD1 H 0.759 0.020 1 187 21 21 ILE C C 172.503 0.3 1 188 21 21 ILE CA C 60.115 0.3 1 189 21 21 ILE CB C 40.737 0.3 1 190 21 21 ILE CG1 C 27.748 0.3 1 191 21 21 ILE CG2 C 18.128 0.3 1 192 21 21 ILE CD1 C 14.988 0.3 1 193 21 21 ILE N N 130.066 0.3 1 194 22 22 ARG H H 8.520 0.020 1 195 22 22 ARG HA H 4.893 0.020 1 196 22 22 ARG HB2 H 1.865 0.020 1 197 22 22 ARG HB3 H 1.865 0.020 1 198 22 22 ARG HG2 H 1.575 0.020 1 199 22 22 ARG HG3 H 1.575 0.020 1 200 22 22 ARG HD2 H 2.938 0.020 1 201 22 22 ARG HD3 H 2.938 0.020 1 202 22 22 ARG C C 175.319 0.3 1 203 22 22 ARG CA C 54.204 0.3 1 204 22 22 ARG CB C 33.212 0.3 1 205 22 22 ARG CG C 28.099 0.3 1 206 22 22 ARG CD C 43.407 0.3 1 207 22 22 ARG N N 125.673 0.3 1 208 23 23 GLY H H 6.937 0.020 1 209 23 23 GLY HA2 H 3.887 0.020 2 210 23 23 GLY HA3 H 3.632 0.020 2 211 23 23 GLY C C 169.121 0.3 1 212 23 23 GLY CA C 46.183 0.3 1 213 23 23 GLY N N 109.774 0.3 1 214 24 24 LEU H H 8.784 0.020 1 215 24 24 LEU HA H 4.586 0.020 1 216 24 24 LEU HB2 H 1.357 0.020 1 217 24 24 LEU HB3 H 1.357 0.020 1 218 24 24 LEU HG H 1.108 0.020 1 219 24 24 LEU HD1 H 0.557 0.020 1 220 24 24 LEU HD2 H 0.557 0.020 1 221 24 24 LEU C C 175.009 0.3 1 222 24 24 LEU CA C 54.251 0.3 1 223 24 24 LEU CB C 45.248 0.3 1 224 24 24 LEU CG C 26.484 0.3 1 225 24 24 LEU CD1 C 24.588 0.3 1 226 24 24 LEU N N 123.475 0.3 1 227 25 25 VAL H H 7.771 0.020 1 228 25 25 VAL HA H 4.193 0.020 1 229 25 25 VAL HB H 2.572 0.020 1 230 25 25 VAL HG1 H 0.937 0.020 1 231 25 25 VAL HG2 H 0.854 0.020 1 232 25 25 VAL CA C 60.013 0.3 1 233 25 25 VAL CB C 31.313 0.3 1 234 25 25 VAL CG1 C 22.832 0.3 1 235 25 25 VAL CG2 C 22.130 0.3 1 236 25 25 VAL N N 126.685 0.3 1 237 27 27 PRO HA H 4.041 0.020 1 238 27 27 PRO HB2 H 2.282 0.020 2 239 27 27 PRO HB3 H 1.855 0.020 2 240 27 27 PRO C C 175.489 0.3 1 241 27 27 PRO CA C 64.941 0.3 1 242 27 27 PRO CB C 31.587 0.3 1 243 28 28 ASN H H 7.953 0.020 1 244 28 28 ASN C C 175.171 0.3 1 245 28 28 ASN CG C 176.688 0.3 1 246 28 28 ASN N N 112.611 0.3 1 247 29 29 ALA H H 7.340 0.020 1 248 29 29 ALA HA H 3.975 0.020 1 249 29 29 ALA HB H 1.370 0.020 1 250 29 29 ALA C C 176.705 0.3 1 251 29 29 ALA CA C 53.204 0.3 1 252 29 29 ALA CB C 21.964 0.3 1 253 29 29 ALA N N 120.988 0.3 1 254 30 30 SER H H 9.743 0.020 1 255 30 30 SER HA H 4.660 0.020 1 256 30 30 SER HB2 H 3.936 0.020 1 257 30 30 SER HB3 H 3.936 0.020 1 258 30 30 SER C C 173.368 0.3 1 259 30 30 SER N N 116.442 0.3 1 260 31 31 ARG H H 8.110 0.020 1 261 31 31 ARG C C 173.587 0.3 1 262 31 31 ARG CA C 55.066 0.3 1 263 31 31 ARG CB C 34.633 0.3 1 264 31 31 ARG N N 116.008 0.3 1 265 32 32 PHE H H 7.976 0.020 1 266 32 32 PHE HA H 4.968 0.020 1 267 32 32 PHE HB2 H 3.166 0.020 2 268 32 32 PHE HB3 H 2.595 0.020 2 269 32 32 PHE HD1 H 6.563 0.020 1 270 32 32 PHE HD2 H 6.563 0.020 1 271 32 32 PHE HE1 H 6.032 0.020 3 272 32 32 PHE HE2 H 6.032 0.020 3 273 32 32 PHE HZ H 7.048 0.020 1 274 32 32 PHE C C 171.918 0.3 1 275 32 32 PHE CA C 56.328 0.3 1 276 32 32 PHE CB C 40.006 0.3 1 277 32 32 PHE CD1 C 129.721 0.3 1 278 32 32 PHE CD2 C 129.721 0.3 1 279 32 32 PHE N N 116.846 0.3 1 280 33 33 HIS H H 8.544 0.020 1 281 33 33 HIS HA H 5.555 0.020 1 282 33 33 HIS HB2 H 2.650 0.020 2 283 33 33 HIS HB3 H 2.547 0.020 2 284 33 33 HIS HD2 H 6.528 0.020 1 285 33 33 HIS C C 172.866 0.3 1 286 33 33 HIS CA C 54.454 0.3 1 287 33 33 HIS CB C 33.695 0.3 1 288 33 33 HIS CD2 C 118.907 0.3 1 289 33 33 HIS N N 114.678 0.3 1 290 34 34 VAL H H 8.659 0.020 1 291 34 34 VAL HA H 4.835 0.020 1 292 34 34 VAL HB H 2.040 0.020 1 293 34 34 VAL HG1 H 0.989 0.020 1 294 34 34 VAL HG2 H 0.685 0.020 1 295 34 34 VAL C C 174.076 0.3 1 296 34 34 VAL CA C 60.778 0.3 1 297 34 34 VAL CB C 34.409 0.3 1 298 34 34 VAL CG1 C 20.304 0.3 1 299 34 34 VAL CG2 C 19.610 0.3 1 300 34 34 VAL N N 117.873 0.3 1 301 35 35 ASN H H 9.796 0.020 1 302 35 35 ASN HA H 6.119 0.020 1 303 35 35 ASN HB2 H 2.920 0.020 2 304 35 35 ASN HB3 H 2.534 0.020 2 305 35 35 ASN HD21 H 7.972 0.020 1 306 35 35 ASN HD22 H 6.987 0.020 1 307 35 35 ASN C C 174.417 0.3 1 308 35 35 ASN CA C 50.693 0.3 1 309 35 35 ASN CB C 41.609 0.3 1 310 35 35 ASN CG C 174.362 0.3 1 311 35 35 ASN N N 123.171 0.3 1 312 35 35 ASN ND2 N 113.971 0.3 1 313 36 36 LEU H H 9.430 0.020 1 314 36 36 LEU HA H 5.193 0.020 1 315 36 36 LEU HB2 H 1.457 0.020 1 316 36 36 LEU HB3 H 1.457 0.020 1 317 36 36 LEU HG H 0.891 0.020 1 318 36 36 LEU HD1 H 0.687 0.020 1 319 36 36 LEU HD2 H 0.483 0.020 1 320 36 36 LEU C C 175.795 0.3 1 321 36 36 LEU CA C 53.842 0.3 1 322 36 36 LEU CB C 40.921 0.3 1 323 36 36 LEU N N 123.660 0.3 1 324 37 37 LEU H H 9.070 0.020 1 325 37 37 LEU HA H 5.240 0.020 1 326 37 37 LEU HB2 H 1.923 0.020 2 327 37 37 LEU HB3 H 1.729 0.020 2 328 37 37 LEU HG H 1.539 0.020 1 329 37 37 LEU HD1 H 0.923 0.020 1 330 37 37 LEU HD2 H 0.790 0.020 1 331 37 37 LEU C C 178.526 0.3 1 332 37 37 LEU CA C 53.281 0.3 1 333 37 37 LEU CB C 45.770 0.3 1 334 37 37 LEU CG C 27.759 0.3 1 335 37 37 LEU CD1 C 25.190 0.3 1 336 37 37 LEU CD2 C 23.508 0.3 1 337 37 37 LEU N N 123.171 0.3 1 338 38 38 CYS H H 8.881 0.020 1 339 38 38 CYS HA H 4.979 0.020 1 340 38 38 CYS HB2 H 3.262 0.020 2 341 38 38 CYS HB3 H 2.674 0.020 2 342 38 38 CYS C C 172.188 0.3 1 343 38 38 CYS CA C 58.234 0.3 1 344 38 38 CYS CB C 27.817 0.3 1 345 38 38 CYS N N 118.474 0.3 1 346 39 39 GLY H H 7.283 0.020 1 347 39 39 GLY HA2 H 4.197 0.020 2 348 39 39 GLY HA3 H 3.930 0.020 2 349 39 39 GLY C C 170.907 0.3 1 350 39 39 GLY CA C 44.467 0.3 1 351 39 39 GLY N N 105.101 0.3 1 352 40 40 GLU H H 8.494 0.020 1 353 40 40 GLU HA H 3.604 0.020 1 354 40 40 GLU HB2 H 1.827 0.020 1 355 40 40 GLU HB3 H 1.827 0.020 1 356 40 40 GLU C C 176.671 0.3 1 357 40 40 GLU CA C 56.341 0.3 1 358 40 40 GLU CB C 30.227 0.3 1 359 40 40 GLU N N 116.382 0.3 1 360 41 41 GLU H H 8.531 0.020 1 361 41 41 GLU HA H 4.740 0.020 1 362 41 41 GLU C C 177.553 0.3 1 363 41 41 GLU CA C 55.729 0.3 1 364 41 41 GLU CB C 29.615 0.3 1 365 41 41 GLU N N 119.470 0.3 1 366 42 42 GLN H H 8.933 0.020 1 367 42 42 GLN HA H 3.996 0.020 1 368 42 42 GLN HB2 H 1.961 0.020 1 369 42 42 GLN HB3 H 1.961 0.020 1 370 42 42 GLN HG2 H 2.337 0.020 1 371 42 42 GLN HG3 H 2.337 0.020 1 372 42 42 GLN HE21 H 7.517 0.020 1 373 42 42 GLN HE22 H 6.854 0.020 1 374 42 42 GLN CA C 57.565 0.3 1 375 42 42 GLN CB C 27.827 0.3 1 376 42 42 GLN CG C 33.385 0.3 1 377 42 42 GLN CD C 178.155 0.3 1 378 42 42 GLN N N 123.881 0.3 1 379 42 42 GLN NE2 N 112.378 0.3 1 380 43 43 GLY H H 8.612 0.020 1 381 43 43 GLY HA2 H 3.769 0.020 2 382 43 43 GLY HA3 H 3.792 0.020 2 383 43 43 GLY C C 174.227 0.3 1 384 43 43 GLY CA C 45.083 0.3 1 385 43 43 GLY N N 109.847 0.3 1 386 44 44 SER H H 7.205 0.020 1 387 44 44 SER HA H 4.032 0.020 1 388 44 44 SER HB2 H 3.617 0.020 1 389 44 44 SER HB3 H 3.617 0.020 1 390 44 44 SER C C 171.986 0.3 1 391 44 44 SER CA C 59.472 0.3 1 392 44 44 SER CB C 64.604 0.3 1 393 44 44 SER N N 115.318 0.3 1 394 45 45 ASP H H 8.518 0.020 1 395 45 45 ASP HA H 4.080 0.020 1 396 45 45 ASP HB2 H 2.869 0.020 2 397 45 45 ASP HB3 H 2.396 0.020 2 398 45 45 ASP C C 176.132 0.3 1 399 45 45 ASP CA C 54.913 0.3 1 400 45 45 ASP CB C 40.173 0.3 1 401 45 45 ASP N N 120.828 0.3 1 402 46 46 ALA H H 9.160 0.020 1 403 46 46 ALA HA H 5.110 0.020 1 404 46 46 ALA HB H 1.058 0.020 1 405 46 46 ALA C C 175.765 0.3 1 406 46 46 ALA CA C 50.067 0.3 1 407 46 46 ALA CB C 19.669 0.3 1 408 46 46 ALA N N 122.878 0.3 1 409 47 47 ALA H H 8.227 0.020 1 410 47 47 ALA HA H 4.233 0.020 1 411 47 47 ALA HB H 1.407 0.020 1 412 47 47 ALA C C 176.423 0.3 1 413 47 47 ALA CA C 53.230 0.3 1 414 47 47 ALA CB C 18.950 0.3 1 415 47 47 ALA N N 126.285 0.3 1 416 48 48 LEU H H 7.205 0.020 1 417 48 48 LEU HA H 4.481 0.020 1 418 48 48 LEU HB2 H 1.143 0.020 1 419 48 48 LEU HB3 H 1.143 0.020 1 420 48 48 LEU HG H 1.092 0.020 1 421 48 48 LEU HD1 H 0.346 0.020 1 422 48 48 LEU HD2 H 0.185 0.020 1 423 48 48 LEU C C 172.222 0.3 1 424 48 48 LEU CA C 55.054 0.3 1 425 48 48 LEU CB C 44.304 0.3 1 426 48 48 LEU CG C 27.033 0.3 1 427 48 48 LEU CD1 C 22.694 0.3 1 428 48 48 LEU CD2 C 24.755 0.3 1 429 48 48 LEU N N 111.087 0.3 1 430 49 49 HIS H H 8.918 0.020 1 431 49 49 HIS HA H 5.528 0.020 1 432 49 49 HIS HB2 H 2.953 0.020 2 433 49 49 HIS HB3 H 2.704 0.020 2 434 49 49 HIS C C 171.446 0.3 1 435 49 49 HIS CA C 55.015 0.3 1 436 49 49 HIS CB C 30.885 0.3 1 437 49 49 HIS N N 128.362 0.3 1 438 50 50 PHE H H 8.614 0.020 1 439 50 50 PHE HA H 4.399 0.020 1 440 50 50 PHE HB2 H 3.019 0.020 2 441 50 50 PHE HB3 H 2.281 0.020 2 442 50 50 PHE HD1 H 6.327 0.020 1 443 50 50 PHE HD2 H 6.327 0.020 1 444 50 50 PHE HE1 H 6.781 0.020 1 445 50 50 PHE HE2 H 6.781 0.020 1 446 50 50 PHE C C 172.660 0.3 1 447 50 50 PHE CA C 54.505 0.3 1 448 50 50 PHE CB C 39.559 0.3 1 449 50 50 PHE CD1 C 131.237 0.3 1 450 50 50 PHE CD2 C 131.237 0.3 1 451 50 50 PHE CE1 C 129.626 0.3 1 452 50 50 PHE CE2 C 129.626 0.3 1 453 50 50 PHE N N 127.111 0.3 1 454 51 51 ASN H H 8.631 0.020 1 455 51 51 ASN HA H 4.851 0.020 1 456 51 51 ASN HB2 H 2.301 0.020 2 457 51 51 ASN HB3 H 1.478 0.020 2 458 51 51 ASN C C 178.282 0.3 1 459 51 51 ASN CA C 48.843 0.3 1 460 51 51 ASN CB C 41.379 0.3 1 461 51 51 ASN N N 124.076 0.3 1 462 52 52 PRO HA H 3.907 0.020 1 463 52 52 PRO C C 173.469 0.3 1 464 52 52 PRO CA C 63.666 0.3 1 465 52 52 PRO CB C 30.831 0.3 1 466 53 53 ARG H H 8.913 0.020 1 467 53 53 ARG HA H 4.687 0.020 1 468 53 53 ARG C C 172.505 0.3 1 469 53 53 ARG CA C 54.454 0.3 1 470 53 53 ARG CB C 29.615 0.3 1 471 53 53 ARG N N 124.733 0.3 1 472 54 54 LEU H H 8.492 0.020 1 473 54 54 LEU HA H 4.189 0.020 1 474 54 54 LEU HB2 H 1.645 0.020 1 475 54 54 LEU HB3 H 1.645 0.020 1 476 54 54 LEU HG H 1.605 0.020 1 477 54 54 LEU HD1 H 0.660 0.020 1 478 54 54 LEU HD2 H 0.660 0.020 1 479 54 54 LEU C C 178.340 0.3 1 480 54 54 LEU CA C 55.678 0.3 1 481 54 54 LEU CB C 38.949 0.3 1 482 54 54 LEU CG C 29.175 0.3 1 483 54 54 LEU CD1 C 23.154 0.3 1 484 54 54 LEU N N 124.901 0.3 1 485 55 55 ASP H H 9.150 0.020 1 486 55 55 ASP HA H 4.303 0.020 1 487 55 55 ASP HB2 H 2.728 0.020 1 488 55 55 ASP HB3 H 2.728 0.020 1 489 55 55 ASP C C 178.193 0.3 1 490 55 55 ASP CA C 55.729 0.3 1 491 55 55 ASP CB C 38.446 0.3 1 492 55 55 ASP N N 118.246 0.3 1 493 56 56 THR H H 7.653 0.020 1 494 56 56 THR HA H 4.308 0.020 1 495 56 56 THR HB H 4.308 0.020 1 496 56 56 THR HG2 H 0.938 0.020 1 497 56 56 THR C C 174.008 0.3 1 498 56 56 THR CA C 60.703 0.3 1 499 56 56 THR CB C 67.117 0.3 1 500 56 56 THR CG2 C 22.806 0.3 1 501 56 56 THR N N 109.160 0.3 1 502 57 57 SER H H 7.325 0.020 1 503 57 57 SER HA H 3.928 0.020 1 504 57 57 SER HB2 H 3.998 0.020 1 505 57 57 SER HB3 H 3.998 0.020 1 506 57 57 SER C C 172.491 0.3 1 507 57 57 SER CA C 58.197 0.3 1 508 57 57 SER CB C 60.842 0.3 1 509 57 57 SER N N 115.230 0.3 1 510 58 58 GLU H H 8.341 0.020 1 511 58 58 GLU HA H 4.594 0.020 1 512 58 58 GLU HB2 H 1.970 0.020 1 513 58 58 GLU HB3 H 1.970 0.020 1 514 58 58 GLU HG2 H 2.160 0.020 1 515 58 58 GLU HG3 H 2.160 0.020 1 516 58 58 GLU C C 173.267 0.3 1 517 58 58 GLU CA C 53.842 0.3 1 518 58 58 GLU CB C 32.598 0.3 1 519 58 58 GLU N N 116.329 0.3 1 520 59 59 VAL H H 8.978 0.020 1 521 59 59 VAL HA H 4.101 0.020 1 522 59 59 VAL HB H 2.618 0.020 1 523 59 59 VAL HG1 H 0.816 0.020 1 524 59 59 VAL HG2 H 0.115 0.020 1 525 59 59 VAL C C 173.857 0.3 1 526 59 59 VAL CA C 61.339 0.3 1 527 59 59 VAL CB C 31.956 0.3 1 528 59 59 VAL CG1 C 21.615 0.3 1 529 59 59 VAL CG2 C 22.230 0.3 1 530 59 59 VAL N N 120.455 0.3 1 531 60 60 VAL H H 6.822 0.020 1 532 60 60 VAL HA H 4.623 0.020 1 533 60 60 VAL HB H 1.602 0.020 1 534 60 60 VAL HG1 H 0.795 0.020 1 535 60 60 VAL HG2 H 0.628 0.020 1 536 60 60 VAL C C 173.081 0.3 1 537 60 60 VAL CA C 60.727 0.3 1 538 60 60 VAL CB C 34.419 0.3 1 539 60 60 VAL CG1 C 20.936 0.3 1 540 60 60 VAL CG2 C 21.588 0.3 1 541 60 60 VAL N N 124.954 0.3 1 542 61 61 PHE H H 9.242 0.020 1 543 61 61 PHE HA H 5.556 0.020 1 544 61 61 PHE HB2 H 2.998 0.020 2 545 61 61 PHE HB3 H 2.580 0.020 2 546 61 61 PHE HD1 H 6.971 0.020 1 547 61 61 PHE HD2 H 6.971 0.020 1 548 61 61 PHE HE1 H 7.217 0.020 1 549 61 61 PHE HE2 H 7.217 0.020 1 550 61 61 PHE C C 175.171 0.3 1 551 61 61 PHE CA C 55.015 0.3 1 552 61 61 PHE CB C 42.557 0.3 1 553 61 61 PHE CD1 C 131.855 0.3 1 554 61 61 PHE CE1 C 131.664 0.3 1 555 61 61 PHE N N 123.330 0.3 1 556 62 62 ASN H H 9.036 0.020 1 557 62 62 ASN HA H 5.271 0.020 1 558 62 62 ASN HB2 H 2.939 0.020 1 559 62 62 ASN HB3 H 2.939 0.020 1 560 62 62 ASN HD21 H 7.487 0.020 1 561 62 62 ASN HD22 H 6.979 0.020 1 562 62 62 ASN C C 171.868 0.3 1 563 62 62 ASN CA C 51.037 0.3 1 564 62 62 ASN CB C 42.557 0.3 1 565 62 62 ASN CG C 176.705 0.3 1 566 62 62 ASN N N 117.607 0.3 1 567 62 62 ASN ND2 N 112.776 0.3 1 568 63 63 SER H H 9.908 0.020 1 569 63 63 SER HA H 4.714 0.020 1 570 63 63 SER HB2 H 3.805 0.020 2 571 63 63 SER HB3 H 3.656 0.020 2 572 63 63 SER C C 171.986 0.3 1 573 63 63 SER CA C 56.953 0.3 1 574 63 63 SER CB C 66.224 0.3 1 575 63 63 SER N N 113.906 0.3 1 576 64 64 LYS H H 8.770 0.020 1 577 64 64 LYS C C 174.164 0.3 1 578 64 64 LYS CA C 55.066 0.3 1 579 64 64 LYS CB C 35.123 0.3 1 580 64 64 LYS N N 122.071 0.3 1 581 65 65 GLU H H 8.086 0.020 1 582 65 65 GLU HA H 4.490 0.020 1 583 65 65 GLU HB2 H 1.909 0.020 2 584 65 65 GLU HB3 H 1.741 0.020 2 585 65 65 GLU HG2 H 2.094 0.020 2 586 65 65 GLU HG3 H 2.011 0.020 2 587 65 65 GLU C C 175.711 0.3 1 588 65 65 GLU CA C 54.725 0.3 1 589 65 65 GLU CB C 32.883 0.3 1 590 65 65 GLU CG C 37.205 0.3 1 591 65 65 GLU N N 124.370 0.3 1 592 66 66 GLN H H 9.678 0.020 1 593 66 66 GLN HA H 3.839 0.020 1 594 66 66 GLN HB2 H 2.249 0.020 2 595 66 66 GLN HB3 H 1.978 0.020 2 596 66 66 GLN HG2 H 2.343 0.020 1 597 66 66 GLN HG3 H 2.343 0.020 1 598 66 66 GLN HE21 H 7.650 0.020 1 599 66 66 GLN HE22 H 6.786 0.020 1 600 66 66 GLN C C 176.334 0.3 1 601 66 66 GLN CA C 56.317 0.3 1 602 66 66 GLN CB C 26.280 0.3 1 603 66 66 GLN CG C 34.169 0.3 1 604 66 66 GLN CD C 180.902 0.3 1 605 66 66 GLN N N 125.913 0.3 1 606 66 66 GLN NE2 N 112.657 0.3 1 607 67 67 GLY H H 9.072 0.020 1 608 67 67 GLY HA2 H 4.062 0.020 2 609 67 67 GLY HA3 H 3.356 0.020 2 610 67 67 GLY C C 173.722 0.3 1 611 67 67 GLY CA C 45.030 0.3 1 612 67 67 GLY N N 104.275 0.3 1 613 68 68 SER H H 7.578 0.020 1 614 68 68 SER HA H 4.748 0.020 1 615 68 68 SER HB2 H 3.808 0.020 2 616 68 68 SER HB3 H 3.660 0.020 2 617 68 68 SER C C 173.992 0.3 1 618 68 68 SER CA C 56.966 0.3 1 619 68 68 SER CB C 64.400 0.3 1 620 68 68 SER N N 115.739 0.3 1 621 69 69 TRP H H 8.856 0.020 1 622 69 69 TRP HA H 4.790 0.020 1 623 69 69 TRP HB2 H 3.420 0.020 2 624 69 69 TRP HB3 H 3.105 0.020 2 625 69 69 TRP HD1 H 7.351 0.020 1 626 69 69 TRP HE1 H 10.060 0.020 1 627 69 69 TRP HZ2 H 7.077 0.020 1 628 69 69 TRP C C 177.274 0.3 1 629 69 69 TRP CA C 57.514 0.3 1 630 69 69 TRP CB C 29.921 0.3 1 631 69 69 TRP CD1 C 127.499 0.3 1 632 69 69 TRP CE2 C 138.865 0.3 1 633 69 69 TRP CZ2 C 113.917 0.3 1 634 69 69 TRP N N 129.294 0.3 1 635 69 69 TRP NE1 N 128.573 0.3 1 636 70 70 GLY H H 8.525 0.020 1 637 70 70 GLY HA2 H 4.475 0.020 2 638 70 70 GLY HA3 H 3.673 0.020 2 639 70 70 GLY C C 174.194 0.3 1 640 70 70 GLY CA C 44.467 0.3 1 641 70 70 GLY N N 110.201 0.3 1 642 71 71 ARG H H 8.514 0.020 1 643 71 71 ARG HA H 4.428 0.020 1 644 71 71 ARG HB2 H 1.823 0.020 1 645 71 71 ARG HG2 H 1.699 0.020 2 646 71 71 ARG HG3 H 1.641 0.020 2 647 71 71 ARG HD2 H 3.281 0.020 1 648 71 71 ARG C C 176.216 0.3 1 649 71 71 ARG CA C 55.729 0.3 1 650 71 71 ARG CB C 29.921 0.3 1 651 71 71 ARG CG C 26.602 0.3 1 652 71 71 ARG CD C 43.045 0.3 1 653 71 71 ARG N N 122.292 0.3 1 654 72 72 GLU H H 8.913 0.020 1 655 72 72 GLU HA H 4.416 0.020 1 656 72 72 GLU HB2 H 2.023 0.020 1 657 72 72 GLU HB3 H 2.023 0.020 1 658 72 72 GLU HG2 H 2.094 0.020 1 659 72 72 GLU HG3 H 2.094 0.020 1 660 72 72 GLU C C 177.278 0.3 1 661 72 72 GLU CA C 57.565 0.3 1 662 72 72 GLU CB C 30.456 0.3 1 663 72 72 GLU CG C 35.991 0.3 1 664 72 72 GLU N N 126.677 0.3 1 665 73 73 GLU H H 9.197 0.020 1 666 73 73 GLU HA H 4.860 0.020 1 667 73 73 GLU HB2 H 2.252 0.020 1 668 73 73 GLU HB3 H 2.252 0.020 1 669 73 73 GLU HG2 H 2.421 0.020 1 670 73 73 GLU HG3 H 2.421 0.020 1 671 73 73 GLU C C 174.733 0.3 1 672 73 73 GLU CA C 54.454 0.3 1 673 73 73 GLU CB C 32.491 0.3 1 674 73 73 GLU CG C 36.038 0.3 1 675 73 73 GLU N N 121.653 0.3 1 676 74 74 ARG H H 8.606 0.020 1 677 74 74 ARG HA H 5.528 0.020 1 678 74 74 ARG C C 176.756 0.3 1 679 74 74 ARG CA C 54.454 0.3 1 680 74 74 ARG CB C 33.241 0.3 1 681 74 74 ARG N N 121.121 0.3 1 682 75 75 GLY H H 7.862 0.020 1 683 75 75 GLY HA2 H 4.205 0.020 2 684 75 75 GLY HA3 H 3.468 0.020 2 685 75 75 GLY C C 172.588 0.3 1 686 75 75 GLY CA C 43.203 0.3 1 687 75 75 GLY N N 106.082 0.3 1 688 76 76 PRO HA H 4.750 0.020 1 689 76 76 PRO HB2 H 2.202 0.020 2 690 76 76 PRO HB3 H 2.012 0.020 2 691 76 76 PRO C C 175.993 0.3 1 692 76 76 PRO CA C 62.210 0.3 1 693 76 76 PRO CB C 29.660 0.3 1 694 77 77 GLY H H 8.222 0.020 1 695 77 77 GLY HA2 H 4.212 0.020 2 696 77 77 GLY HA3 H 3.981 0.020 2 697 77 77 GLY C C 173.004 0.3 1 698 77 77 GLY CA C 44.467 0.3 1 699 77 77 GLY N N 113.945 0.3 1 700 78 78 VAL H H 8.689 0.020 1 701 78 78 VAL HA H 4.552 0.020 1 702 78 78 VAL HB H 2.051 0.020 1 703 78 78 VAL HG1 H 0.976 0.020 1 704 78 78 VAL HG2 H 0.769 0.020 1 705 78 78 VAL CA C 58.228 0.3 1 706 78 78 VAL CB C 32.919 0.3 1 707 78 78 VAL CG1 C 20.613 0.3 1 708 78 78 VAL CG2 C 20.381 0.3 1 709 78 78 VAL N N 119.151 0.3 1 710 79 79 PRO HA H 4.606 0.020 1 711 79 79 PRO C C 173.166 0.3 1 712 79 79 PRO CA C 62.325 0.3 1 713 79 79 PRO CB C 28.366 0.3 1 714 80 80 PHE H H 6.930 0.020 1 715 80 80 PHE HA H 4.544 0.020 1 716 80 80 PHE HB2 H 2.976 0.020 2 717 80 80 PHE HB3 H 2.099 0.020 2 718 80 80 PHE HD1 H 6.761 0.020 1 719 80 80 PHE HD2 H 6.761 0.020 1 720 80 80 PHE C C 173.216 0.3 1 721 80 80 PHE CA C 56.328 0.3 1 722 80 80 PHE CB C 43.080 0.3 1 723 80 80 PHE CD1 C 130.885 0.3 1 724 80 80 PHE CD2 C 130.885 0.3 1 725 80 80 PHE N N 114.720 0.3 1 726 81 81 GLN H H 9.098 0.020 1 727 81 81 GLN HA H 4.745 0.020 1 728 81 81 GLN HB2 H 1.899 0.020 2 729 81 81 GLN HB3 H 1.738 0.020 2 730 81 81 GLN HG2 H 2.312 0.020 1 731 81 81 GLN HG3 H 2.312 0.020 1 732 81 81 GLN HE21 H 7.473 0.020 1 733 81 81 GLN HE22 H 6.725 0.020 1 734 81 81 GLN C C 175.851 0.3 1 735 81 81 GLN CA C 53.842 0.3 1 736 81 81 GLN CB C 32.012 0.3 1 737 81 81 GLN CG C 33.489 0.3 1 738 81 81 GLN CD C 180.144 0.3 1 739 81 81 GLN N N 119.311 0.3 1 740 81 81 GLN NE2 N 111.820 0.3 1 741 82 82 ARG H H 8.897 0.020 1 742 82 82 ARG HA H 3.622 0.020 1 743 82 82 ARG HB2 H 1.891 0.020 2 744 82 82 ARG HB3 H 1.855 0.020 2 745 82 82 ARG HG2 H 1.713 0.020 2 746 82 82 ARG HG3 H 1.642 0.020 2 747 82 82 ARG HD2 H 3.255 0.020 1 748 82 82 ARG HD3 H 3.255 0.020 1 749 82 82 ARG C C 176.912 0.3 1 750 82 82 ARG CA C 58.228 0.3 1 751 82 82 ARG CB C 30.163 0.3 1 752 82 82 ARG CG C 26.835 0.3 1 753 82 82 ARG CD C 43.056 0.3 1 754 82 82 ARG N N 122.497 0.3 1 755 83 83 GLY H H 8.429 0.020 1 756 83 83 GLY HA2 H 4.239 0.020 2 757 83 83 GLY HA3 H 3.584 0.020 2 758 83 83 GLY C C 173.132 0.3 1 759 83 83 GLY CA C 45.342 0.3 1 760 83 83 GLY N N 112.215 0.3 1 761 84 84 GLN H H 7.795 0.020 1 762 84 84 GLN HA H 5.009 0.020 1 763 84 84 GLN HB2 H 2.151 0.020 2 764 84 84 GLN HB3 H 2.080 0.020 2 765 84 84 GLN HG2 H 2.353 0.020 1 766 84 84 GLN HG3 H 2.353 0.020 1 767 84 84 GLN HE21 H 7.509 0.020 1 768 84 84 GLN HE22 H 6.795 0.020 1 769 84 84 GLN C C 174.605 0.3 1 770 84 84 GLN CA C 51.953 0.3 1 771 84 84 GLN CB C 29.600 0.3 1 772 84 84 GLN CG C 32.804 0.3 1 773 84 84 GLN CD C 179.554 0.3 1 774 84 84 GLN N N 116.891 0.3 1 775 84 84 GLN NE2 N 112.916 0.3 1 776 85 85 PRO HA H 5.212 0.020 1 777 85 85 PRO HB2 H 2.231 0.020 1 778 85 85 PRO HB3 H 2.231 0.020 1 779 85 85 PRO HG2 H 1.968 0.020 1 780 85 85 PRO HG3 H 1.968 0.020 1 781 85 85 PRO C C 175.272 0.3 1 782 85 85 PRO CA C 61.852 0.3 1 783 85 85 PRO CB C 32.851 0.3 1 784 85 85 PRO CG C 26.672 0.3 1 785 86 86 PHE H H 8.452 0.020 1 786 86 86 PHE HA H 5.306 0.020 1 787 86 86 PHE HB2 H 3.225 0.020 2 788 86 86 PHE HB3 H 3.027 0.020 2 789 86 86 PHE HD1 H 7.116 0.020 1 790 86 86 PHE HD2 H 7.116 0.020 1 791 86 86 PHE C C 173.385 0.3 1 792 86 86 PHE CA C 55.729 0.3 1 793 86 86 PHE CB C 43.386 0.3 1 794 86 86 PHE CD1 C 132.328 0.3 1 795 86 86 PHE CD2 C 132.328 0.3 1 796 86 86 PHE N N 115.237 0.3 1 797 87 87 GLU H H 9.107 0.020 1 798 87 87 GLU HA H 5.060 0.020 1 799 87 87 GLU HB2 H 1.926 0.020 1 800 87 87 GLU HB3 H 1.926 0.020 1 801 87 87 GLU HG2 H 1.974 0.020 1 802 87 87 GLU HG3 H 1.974 0.020 1 803 87 87 GLU C C 174.396 0.3 1 804 87 87 GLU CA C 55.729 0.3 1 805 87 87 GLU CB C 32.828 0.3 1 806 87 87 GLU CG C 37.438 0.3 1 807 87 87 GLU N N 122.399 0.3 1 808 88 88 VAL H H 9.428 0.020 1 809 88 88 VAL HA H 5.278 0.020 1 810 88 88 VAL HB H 2.040 0.020 1 811 88 88 VAL HG1 H 1.276 0.020 1 812 88 88 VAL HG2 H 0.813 0.020 1 813 88 88 VAL C C 174.699 0.3 1 814 88 88 VAL CA C 59.452 0.3 1 815 88 88 VAL CB C 36.041 0.3 1 816 88 88 VAL CG1 C 22.772 0.3 1 817 88 88 VAL CG2 C 20.767 0.3 1 818 88 88 VAL N N 126.978 0.3 1 819 89 89 LEU H H 9.103 0.020 1 820 89 89 LEU HA H 5.593 0.020 1 821 89 89 LEU HB2 H 1.523 0.020 2 822 89 89 LEU HB3 H 1.153 0.020 2 823 89 89 LEU HG H 1.574 0.020 1 824 89 89 LEU HD1 H 0.649 0.020 1 825 89 89 LEU HD2 H 0.756 0.020 1 826 89 89 LEU C C 176.166 0.3 1 827 89 89 LEU CA C 52.618 0.3 1 828 89 89 LEU CB C 43.949 0.3 1 829 89 89 LEU CG C 26.554 0.3 1 830 89 89 LEU CD1 C 24.588 0.3 1 831 89 89 LEU CD2 C 22.903 0.3 1 832 89 89 LEU N N 124.449 0.3 1 833 90 90 ILE H H 9.272 0.020 1 834 90 90 ILE HA H 4.889 0.020 1 835 90 90 ILE HB H 1.778 0.020 1 836 90 90 ILE HG12 H 1.208 0.020 2 837 90 90 ILE HG13 H 0.767 0.020 2 838 90 90 ILE HG2 H 0.603 0.020 1 839 90 90 ILE HD1 H 0.289 0.020 1 840 90 90 ILE C C 174.649 0.3 1 841 90 90 ILE CA C 59.452 0.3 1 842 90 90 ILE CB C 38.167 0.3 1 843 90 90 ILE CG1 C 26.905 0.3 1 844 90 90 ILE CG2 C 16.935 0.3 1 845 90 90 ILE CD1 C 10.721 0.3 1 846 90 90 ILE N N 122.851 0.3 1 847 91 91 ILE H H 9.368 0.020 1 848 91 91 ILE HA H 4.757 0.020 1 849 91 91 ILE HB H 1.907 0.020 1 850 91 91 ILE HG12 H 1.660 0.020 1 851 91 91 ILE HG13 H 1.660 0.020 1 852 91 91 ILE HG2 H 0.969 0.020 1 853 91 91 ILE HD1 H 0.854 0.020 1 854 91 91 ILE C C 175.862 0.3 1 855 91 91 ILE CA C 59.809 0.3 1 856 91 91 ILE CB C 41.295 0.3 1 857 91 91 ILE CG1 C 27.186 0.3 1 858 91 91 ILE CG2 C 17.425 0.3 1 859 91 91 ILE CD1 C 15.157 0.3 1 860 91 91 ILE N N 127.856 0.3 1 861 92 92 ALA H H 9.122 0.020 1 862 92 92 ALA HA H 4.803 0.020 1 863 92 92 ALA HB H 1.453 0.020 1 864 92 92 ALA C C 175.104 0.3 1 865 92 92 ALA CA C 51.700 0.3 1 866 92 92 ALA CB C 19.618 0.3 1 867 92 92 ALA N N 129.507 0.3 1 868 93 93 SER H H 9.154 0.020 1 869 93 93 SER HA H 4.909 0.020 1 870 93 93 SER HB2 H 4.368 0.020 2 871 93 93 SER HB3 H 3.983 0.020 2 872 93 93 SER C C 177.295 0.3 1 873 93 93 SER CA C 55.678 0.3 1 874 93 93 SER CB C 65.981 0.3 1 875 93 93 SER N N 121.866 0.3 1 876 94 94 ASP H H 9.150 0.020 1 877 94 94 ASP HA H 4.365 0.020 1 878 94 94 ASP HB2 H 2.658 0.020 1 879 94 94 ASP HB3 H 2.658 0.020 1 880 94 94 ASP C C 176.895 0.3 1 881 94 94 ASP CA C 56.953 0.3 1 882 94 94 ASP CB C 40.071 0.3 1 883 94 94 ASP N N 120.162 0.3 1 884 95 95 ASP H H 8.340 0.020 1 885 95 95 ASP HA H 4.745 0.020 1 886 95 95 ASP HB2 H 2.694 0.020 2 887 95 95 ASP HB3 H 2.573 0.020 2 888 95 95 ASP C C 176.650 0.3 1 889 95 95 ASP CA C 53.230 0.3 1 890 95 95 ASP CB C 41.456 0.3 1 891 95 95 ASP N N 115.477 0.3 1 892 96 96 GLY H H 7.117 0.020 1 893 96 96 GLY HA2 H 3.528 0.020 1 894 96 96 GLY HA3 H 3.528 0.020 1 895 96 96 GLY C C 170.300 0.3 1 896 96 96 GLY CA C 45.030 0.3 1 897 96 96 GLY N N 111.575 0.3 1 898 97 97 PHE H H 8.865 0.020 1 899 97 97 PHE HA H 5.508 0.020 1 900 97 97 PHE HB2 H 2.813 0.020 2 901 97 97 PHE HB3 H 2.687 0.020 2 902 97 97 PHE HD1 H 7.210 0.020 1 903 97 97 PHE HD2 H 7.210 0.020 1 904 97 97 PHE C C 175.184 0.3 1 905 97 97 PHE CA C 55.703 0.3 1 906 97 97 PHE CB C 41.334 0.3 1 907 97 97 PHE CD1 C 130.801 0.3 1 908 97 97 PHE CD2 C 130.801 0.3 1 909 97 97 PHE N N 116.568 0.3 1 910 98 98 LYS H H 9.462 0.020 1 911 98 98 LYS HA H 4.757 0.020 1 912 98 98 LYS HB2 H 1.808 0.020 1 913 98 98 LYS HB3 H 1.808 0.020 1 914 98 98 LYS HG2 H 1.411 0.020 1 915 98 98 LYS HG3 H 1.411 0.020 1 916 98 98 LYS C C 174.919 0.3 1 917 98 98 LYS CA C 55.117 0.3 1 918 98 98 LYS CB C 33.746 0.3 1 919 98 98 LYS CG C 26.343 0.3 1 920 98 98 LYS N N 122.585 0.3 1 921 99 99 ALA H H 9.064 0.020 1 922 99 99 ALA HA H 5.382 0.020 1 923 99 99 ALA HB H 1.403 0.020 1 924 99 99 ALA C C 174.931 0.3 1 925 99 99 ALA CA C 50.016 0.3 1 926 99 99 ALA CB C 18.891 0.3 1 927 99 99 ALA N N 125.247 0.3 1 928 100 100 VAL H H 9.548 0.020 1 929 100 100 VAL HA H 4.370 0.020 1 930 100 100 VAL HB H 1.733 0.020 1 931 100 100 VAL HG1 H 0.396 0.020 1 932 100 100 VAL HG2 H -0.068 0.020 1 933 100 100 VAL C C 174.666 0.3 1 934 100 100 VAL CA C 61.339 0.3 1 935 100 100 VAL CB C 33.241 0.3 1 936 100 100 VAL CG1 C 20.455 0.3 1 937 100 100 VAL CG2 C 19.164 0.3 1 938 100 100 VAL N N 128.389 0.3 1 939 101 101 VAL H H 8.088 0.020 1 940 101 101 VAL HA H 4.734 0.020 1 941 101 101 VAL HB H 1.733 0.020 1 942 101 101 VAL HG1 H 0.653 0.020 1 943 101 101 VAL HG2 H 0.441 0.020 1 944 101 101 VAL C C 176.216 0.3 1 945 101 101 VAL CA C 60.829 0.3 1 946 101 101 VAL CB C 33.014 0.3 1 947 101 101 VAL CG1 C 19.673 0.3 1 948 101 101 VAL CG2 C 20.866 0.3 1 949 101 101 VAL N N 125.593 0.3 1 950 102 102 GLY H H 8.871 0.020 1 951 102 102 GLY HA2 H 3.953 0.020 2 952 102 102 GLY HA3 H 3.787 0.020 2 953 102 102 GLY C C 174.138 0.3 1 954 102 102 GLY CA C 47.581 0.3 1 955 102 102 GLY N N 118.219 0.3 1 956 103 103 ASP H H 9.003 0.020 1 957 103 103 ASP HA H 4.694 0.020 1 958 103 103 ASP HB2 H 2.955 0.020 2 959 103 103 ASP HB3 H 2.543 0.020 2 960 103 103 ASP C C 174.038 0.3 1 961 103 103 ASP CA C 53.816 0.3 1 962 103 103 ASP CB C 41.511 0.3 1 963 103 103 ASP N N 124.927 0.3 1 964 104 104 ALA H H 7.745 0.020 1 965 104 104 ALA HA H 4.937 0.020 1 966 104 104 ALA HB H 1.456 0.020 1 967 104 104 ALA C C 174.531 0.3 1 968 104 104 ALA CA C 50.731 0.3 1 969 104 104 ALA CB C 21.913 0.3 1 970 104 104 ALA N N 120.189 0.3 1 971 105 105 GLN H H 9.195 0.020 1 972 105 105 GLN HA H 4.140 0.020 1 973 105 105 GLN HB2 H 2.226 0.020 1 974 105 105 GLN HB3 H 2.226 0.020 1 975 105 105 GLN HG2 H 2.352 0.020 1 976 105 105 GLN HG3 H 2.352 0.020 1 977 105 105 GLN HE21 H 7.567 0.020 1 978 105 105 GLN HE22 H 6.685 0.020 1 979 105 105 GLN C C 174.345 0.3 1 980 105 105 GLN CA C 57.565 0.3 1 981 105 105 GLN CB C 27.881 0.3 1 982 105 105 GLN CG C 33.927 0.3 1 983 105 105 GLN CD C 178.563 0.3 1 984 105 105 GLN N N 122.718 0.3 1 985 105 105 GLN NE2 N 110.287 0.3 1 986 106 106 TYR H H 9.366 0.020 1 987 106 106 TYR HA H 4.830 0.020 1 988 106 106 TYR HB2 H 3.269 0.020 2 989 106 106 TYR HB3 H 2.867 0.020 2 990 106 106 TYR HD1 H 7.259 0.020 1 991 106 106 TYR HD2 H 7.259 0.020 1 992 106 106 TYR HE1 H 6.852 0.020 1 993 106 106 TYR HE2 H 6.852 0.020 1 994 106 106 TYR C C 173.600 0.3 1 995 106 106 TYR CA C 59.401 0.3 1 996 106 106 TYR CB C 41.379 0.3 1 997 106 106 TYR CD1 C 132.848 0.3 1 998 106 106 TYR CD2 C 132.779 0.3 1 999 106 106 TYR CE1 C 117.295 0.3 1 1000 106 106 TYR CE2 C 117.295 0.3 1 1001 106 106 TYR N N 129.640 0.3 1 1002 107 107 HIS H H 7.906 0.020 1 1003 107 107 HIS HA H 4.603 0.020 1 1004 107 107 HIS HB2 H 2.621 0.020 2 1005 107 107 HIS HB3 H 2.273 0.020 2 1006 107 107 HIS HD2 H 4.970 0.020 1 1007 107 107 HIS C C 171.767 0.3 1 1008 107 107 HIS CA C 56.328 0.3 1 1009 107 107 HIS CB C 36.025 0.3 1 1010 107 107 HIS CD2 C 115.436 0.3 1 1011 107 107 HIS N N 114.476 0.3 1 1012 108 108 HIS H H 7.126 0.020 1 1013 108 108 HIS HA H 5.045 0.020 1 1014 108 108 HIS HB2 H 2.771 0.020 2 1015 108 108 HIS HB3 H 2.630 0.020 2 1016 108 108 HIS HD2 H 6.453 0.020 1 1017 108 108 HIS C C 172.019 0.3 1 1018 108 108 HIS CA C 54.454 0.3 1 1019 108 108 HIS CB C 31.634 0.3 1 1020 108 108 HIS CD2 C 118.829 0.3 1 1021 108 108 HIS N N 126.419 0.3 1 1022 109 109 PHE H H 8.766 0.020 1 1023 109 109 PHE HA H 4.716 0.020 1 1024 109 109 PHE HB2 H 3.213 0.020 2 1025 109 109 PHE HB3 H 2.397 0.020 2 1026 109 109 PHE HD1 H 6.955 0.020 1 1027 109 109 PHE HD2 H 6.955 0.020 1 1028 109 109 PHE C C 173.317 0.3 1 1029 109 109 PHE CA C 54.505 0.3 1 1030 109 109 PHE CB C 41.914 0.3 1 1031 109 109 PHE CD1 C 129.206 0.3 1 1032 109 109 PHE CD2 C 129.206 0.3 1 1033 109 109 PHE N N 128.628 0.3 1 1034 110 110 ARG H H 8.629 0.020 1 1035 110 110 ARG HA H 3.976 0.020 1 1036 110 110 ARG HB2 H 1.517 0.020 1 1037 110 110 ARG HB3 H 1.517 0.020 1 1038 110 110 ARG HG2 H 1.624 0.020 1 1039 110 110 ARG HG3 H 1.624 0.020 1 1040 110 110 ARG HD2 H 3.099 0.020 1 1041 110 110 ARG HD3 H 3.099 0.020 1 1042 110 110 ARG C C 175.812 0.3 1 1043 110 110 ARG CA C 56.596 0.3 1 1044 110 110 ARG CB C 29.493 0.3 1 1045 110 110 ARG CG C 27.748 0.3 1 1046 110 110 ARG CD C 42.845 0.3 1 1047 110 110 ARG N N 129.241 0.3 1 1048 111 111 HIS H H 7.203 0.020 1 1049 111 111 HIS HA H 4.606 0.020 1 1050 111 111 HIS HB2 H 2.941 0.020 2 1051 111 111 HIS HB3 H 2.726 0.020 2 1052 111 111 HIS HD2 H 6.803 0.020 1 1053 111 111 HIS C C 177.211 0.3 1 1054 111 111 HIS CA C 58.228 0.3 1 1055 111 111 HIS CB C 31.206 0.3 1 1056 111 111 HIS CD2 C 118.073 0.3 1 1057 111 111 HIS N N 118.538 0.3 1 1058 112 112 ARG H H 9.711 0.020 1 1059 112 112 ARG HA H 4.476 0.020 1 1060 112 112 ARG HB2 H 1.760 0.020 1 1061 112 112 ARG HB3 H 1.760 0.020 1 1062 112 112 ARG HG2 H 1.571 0.020 1 1063 112 112 ARG HG3 H 1.571 0.020 1 1064 112 112 ARG HD2 H 3.308 0.020 1 1065 112 112 ARG HD3 H 3.308 0.020 1 1066 112 112 ARG C C 175.604 0.3 1 1067 112 112 ARG CA C 56.902 0.3 1 1068 112 112 ARG CB C 31.609 0.3 1 1069 112 112 ARG CG C 26.063 0.3 1 1070 112 112 ARG CD C 43.126 0.3 1 1071 112 112 ARG N N 122.990 0.3 1 1072 113 113 LEU H H 8.550 0.020 1 1073 113 113 LEU HA H 4.749 0.020 1 1074 113 113 LEU HB2 H 1.523 0.020 2 1075 113 113 LEU HB3 H 1.399 0.020 2 1076 113 113 LEU HG H 1.742 0.020 1 1077 113 113 LEU HD1 H 0.854 0.020 1 1078 113 113 LEU HD2 H 0.854 0.020 1 1079 113 113 LEU C C 173.521 0.3 1 1080 113 113 LEU CA C 52.567 0.3 1 1081 113 113 LEU CB C 42.450 0.3 1 1082 113 113 LEU CG C 28.450 0.3 1 1083 113 113 LEU CD1 C 25.220 0.3 1 1084 113 113 LEU N N 121.973 0.3 1 1085 114 114 PRO HA H 4.212 0.020 1 1086 114 114 PRO HB2 H 2.327 0.020 2 1087 114 114 PRO HB3 H 1.742 0.020 2 1088 114 114 PRO HG2 H 2.015 0.020 1 1089 114 114 PRO HG3 H 2.015 0.020 1 1090 114 114 PRO C C 177.211 0.3 1 1091 114 114 PRO CA C 62.787 0.3 1 1092 114 114 PRO CB C 31.597 0.3 1 1093 114 114 PRO CG C 27.173 0.3 1 1094 115 115 LEU H H 8.118 0.020 1 1095 115 115 LEU HA H 3.759 0.020 1 1096 115 115 LEU HB2 H 1.446 0.020 2 1097 115 115 LEU HB3 H 1.088 0.020 2 1098 115 115 LEU HG H 1.230 0.020 1 1099 115 115 LEU HD1 H 0.620 0.020 1 1100 115 115 LEU HD2 H 0.531 0.020 1 1101 115 115 LEU C C 178.728 0.3 1 1102 115 115 LEU CA C 56.953 0.3 1 1103 115 115 LEU CB C 41.380 0.3 1 1104 115 115 LEU CG C 25.922 0.3 1 1105 115 115 LEU CD1 C 24.728 0.3 1 1106 115 115 LEU CD2 C 24.447 0.3 1 1107 115 115 LEU N N 125.753 0.3 1 1108 116 116 ALA H H 8.270 0.020 1 1109 116 116 ALA HA H 4.242 0.020 1 1110 116 116 ALA HB H 1.397 0.020 1 1111 116 116 ALA C C 178.125 0.3 1 1112 116 116 ALA CA C 53.791 0.3 1 1113 116 116 ALA CB C 18.483 0.3 1 1114 116 116 ALA N N 117.340 0.3 1 1115 117 117 ARG H H 7.706 0.020 1 1116 117 117 ARG HA H 4.146 0.020 1 1117 117 117 ARG HB2 H 2.129 0.020 1 1118 117 117 ARG HG2 H 1.844 0.020 1 1119 117 117 ARG HD2 H 3.075 0.020 1 1120 117 117 ARG HD3 H 3.075 0.020 1 1121 117 117 ARG C C 176.992 0.3 1 1122 117 117 ARG CA C 57.103 0.3 1 1123 117 117 ARG CB C 31.313 0.3 1 1124 117 117 ARG CG C 28.315 0.3 1 1125 117 117 ARG CD C 43.365 0.3 1 1126 117 117 ARG N N 113.723 0.3 1 1127 118 118 VAL H H 7.445 0.020 1 1128 118 118 VAL HA H 3.558 0.020 1 1129 118 118 VAL HB H 2.121 0.020 1 1130 118 118 VAL HG1 H 0.994 0.020 1 1131 118 118 VAL HG2 H 0.874 0.020 1 1132 118 118 VAL C C 176.048 0.3 1 1133 118 118 VAL CA C 65.121 0.3 1 1134 118 118 VAL CB C 31.330 0.3 1 1135 118 118 VAL CG1 C 23.311 0.3 1 1136 118 118 VAL CG2 C 22.309 0.3 1 1137 118 118 VAL N N 118.552 0.3 1 1138 119 119 ARG H H 9.040 0.020 1 1139 119 119 ARG HA H 5.090 0.020 1 1140 119 119 ARG HB2 H 1.962 0.020 2 1141 119 119 ARG HB3 H 1.840 0.020 2 1142 119 119 ARG HG2 H 1.609 0.020 1 1143 119 119 ARG HG3 H 1.609 0.020 1 1144 119 119 ARG C C 175.475 0.3 1 1145 119 119 ARG CA C 54.454 0.3 1 1146 119 119 ARG CB C 33.899 0.3 1 1147 119 119 ARG CG C 25.878 0.3 1 1148 119 119 ARG N N 123.570 0.3 1 1149 120 120 LEU H H 8.083 0.020 1 1150 120 120 LEU HA H 5.000 0.020 1 1151 120 120 LEU HB2 H 1.640 0.020 2 1152 120 120 LEU HB3 H 1.366 0.020 2 1153 120 120 LEU HG H 1.454 0.020 1 1154 120 120 LEU HD1 H 0.797 0.020 1 1155 120 120 LEU HD2 H 0.797 0.020 1 1156 120 120 LEU C C 173.666 0.3 1 1157 120 120 LEU CA C 55.117 0.3 1 1158 120 120 LEU CB C 46.305 0.3 1 1159 120 120 LEU CG C 26.721 0.3 1 1160 120 120 LEU CD1 C 25.176 0.3 1 1161 120 120 LEU N N 122.798 0.3 1 1162 121 121 VAL H H 8.809 0.020 1 1163 121 121 VAL HA H 5.117 0.020 1 1164 121 121 VAL HB H 1.930 0.020 1 1165 121 121 VAL HG1 H 0.834 0.020 1 1166 121 121 VAL HG2 H 0.834 0.020 1 1167 121 121 VAL C C 173.317 0.3 1 1168 121 121 VAL CA C 60.060 0.3 1 1169 121 121 VAL CB C 33.727 0.3 1 1170 121 121 VAL CG1 C 20.227 0.3 1 1171 121 121 VAL CG2 C 20.227 0.3 1 1172 121 121 VAL N N 123.520 0.3 1 1173 122 122 GLU H H 9.372 0.020 1 1174 122 122 GLU HA H 5.713 0.020 1 1175 122 122 GLU HB2 H 1.867 0.020 1 1176 122 122 GLU HB3 H 1.867 0.020 1 1177 122 122 GLU HG2 H 2.194 0.020 1 1178 122 122 GLU HG3 H 2.194 0.020 1 1179 122 122 GLU C C 174.737 0.3 1 1180 122 122 GLU CA C 53.791 0.3 1 1181 122 122 GLU CB C 41.272 0.3 1 1182 122 122 GLU N N 128.415 0.3 1 1183 123 123 VAL H H 9.262 0.020 1 1184 123 123 VAL HA H 5.122 0.020 1 1185 123 123 VAL HB H 2.031 0.020 1 1186 123 123 VAL HG1 H 1.000 0.020 1 1187 123 123 VAL HG2 H 1.000 0.020 1 1188 123 123 VAL C C 174.781 0.3 1 1189 123 123 VAL N N 126.356 0.3 1 1190 124 124 GLY H H 8.068 0.020 1 1191 124 124 GLY HA2 H 4.254 0.020 2 1192 124 124 GLY HA3 H 3.704 0.020 2 1193 124 124 GLY C C 170.227 0.3 1 1194 124 124 GLY CA C 44.228 0.3 1 1195 124 124 GLY N N 111.918 0.3 1 1196 125 125 GLY H H 8.715 0.020 1 1197 125 125 GLY HA2 H 4.254 0.020 2 1198 125 125 GLY HA3 H 3.795 0.020 2 1199 125 125 GLY C C 174.737 0.3 1 1200 125 125 GLY CA C 44.238 0.3 1 1201 125 125 GLY N N 106.367 0.3 1 1202 126 126 ASP H H 8.830 0.020 1 1203 126 126 ASP HA H 4.611 0.020 1 1204 126 126 ASP HB2 H 2.806 0.020 2 1205 126 126 ASP HB3 H 2.593 0.020 2 1206 126 126 ASP C C 170.806 0.3 1 1207 126 126 ASP CA C 52.646 0.3 1 1208 126 126 ASP CB C 39.643 0.3 1 1209 126 126 ASP N N 123.424 0.3 1 1210 127 127 VAL H H 7.474 0.020 1 1211 127 127 VAL HA H 4.024 0.020 1 1212 127 127 VAL HB H 1.011 0.020 1 1213 127 127 VAL HG1 H 0.224 0.020 1 1214 127 127 VAL HG2 H 0.106 0.020 1 1215 127 127 VAL C C 171.446 0.3 1 1216 127 127 VAL CA C 59.472 0.3 1 1217 127 127 VAL CB C 33.455 0.3 1 1218 127 127 VAL CG1 C 17.526 0.3 1 1219 127 127 VAL CG2 C 21.033 0.3 1 1220 127 127 VAL N N 117.112 0.3 1 1221 128 128 GLN H H 7.981 0.020 1 1222 128 128 GLN HA H 4.560 0.020 1 1223 128 128 GLN HB2 H 1.969 0.020 2 1224 128 128 GLN HB3 H 1.827 0.020 2 1225 128 128 GLN HG2 H 2.122 0.020 1 1226 128 128 GLN HG3 H 2.122 0.020 1 1227 128 128 GLN C C 174.478 0.3 1 1228 128 128 GLN CA C 53.791 0.3 1 1229 128 128 GLN CB C 29.243 0.3 1 1230 128 128 GLN CG C 33.358 0.3 1 1231 128 128 GLN CD C 179.351 0.3 1 1232 128 128 GLN N N 125.274 0.3 1 1233 129 129 LEU H H 8.768 0.020 1 1234 129 129 LEU HA H 4.285 0.020 1 1235 129 129 LEU HB2 H 1.194 0.020 1 1236 129 129 LEU HB3 H 1.194 0.020 1 1237 129 129 LEU HD1 H 0.653 0.020 1 1238 129 129 LEU HD2 H 0.500 0.020 1 1239 129 129 LEU C C 174.497 0.3 1 1240 129 129 LEU CA C 53.587 0.3 1 1241 129 129 LEU CB C 44.378 0.3 1 1242 129 129 LEU N N 125.785 0.3 1 1243 130 130 ASP H H 8.991 0.020 1 1244 130 130 ASP HA H 4.700 0.020 1 1245 130 130 ASP HB2 H 2.398 0.020 2 1246 130 130 ASP HB3 H 2.275 0.020 2 1247 130 130 ASP C C 175.976 0.3 1 1248 130 130 ASP CA C 55.678 0.3 1 1249 130 130 ASP CB C 42.200 0.3 1 1250 130 130 ASP N N 125.652 0.3 1 1251 131 131 SER H H 7.645 0.020 1 1252 131 131 SER HA H 4.409 0.020 1 1253 131 131 SER HB2 H 3.885 0.020 2 1254 131 131 SER HB3 H 3.556 0.020 2 1255 131 131 SER C C 172.289 0.3 1 1256 131 131 SER CA C 57.160 0.3 1 1257 131 131 SER CB C 64.189 0.3 1 1258 131 131 SER N N 107.211 0.3 1 1259 132 132 VAL H H 8.242 0.020 1 1260 132 132 VAL HA H 4.509 0.020 1 1261 132 132 VAL HB H 1.419 0.020 1 1262 132 132 VAL HG1 H 0.551 0.020 1 1263 132 132 VAL HG2 H 0.551 0.020 1 1264 132 132 VAL C C 174.581 0.3 1 1265 132 132 VAL CA C 61.390 0.3 1 1266 132 132 VAL CB C 33.747 0.3 1 1267 132 132 VAL N N 122.130 0.3 1 1268 133 133 ARG H H 8.621 0.020 1 1269 133 133 ARG HA H 4.571 0.020 1 1270 133 133 ARG HB2 H 1.286 0.020 1 1271 133 133 ARG HB3 H 1.286 0.020 1 1272 133 133 ARG C C 173.081 0.3 1 1273 133 133 ARG CA C 53.791 0.3 1 1274 133 133 ARG CB C 33.776 0.3 1 1275 133 133 ARG N N 125.726 0.3 1 1276 134 134 ILE H H 8.004 0.020 1 1277 134 134 ILE HA H 4.704 0.020 1 1278 134 134 ILE HB H 1.594 0.020 1 1279 134 134 ILE HG12 H 1.344 0.020 1 1280 134 134 ILE HG2 H 0.889 0.020 1 1281 134 134 ILE HD1 H 0.754 0.020 1 1282 134 134 ILE C C 174.278 0.3 1 1283 134 134 ILE CA C 60.064 0.3 1 1284 134 134 ILE CB C 39.023 0.3 1 1285 134 134 ILE CG1 C 28.380 0.3 1 1286 134 134 ILE CG2 C 19.883 0.3 1 1287 134 134 ILE CD1 C 14.230 0.3 1 1288 134 134 ILE N N 122.132 0.3 1 1289 135 135 PHE H H 9.411 0.020 1 1290 135 135 PHE HA H 4.855 0.020 1 1291 135 135 PHE HB2 H 3.132 0.020 2 1292 135 135 PHE HB3 H 2.647 0.020 2 1293 135 135 PHE HD1 H 6.968 0.020 1 1294 135 135 PHE HD2 H 6.968 0.020 1 1295 135 135 PHE C C 180.552 0.3 1 1296 135 135 PHE CA C 56.953 0.3 1 1297 135 135 PHE CB C 42.343 0.3 1 1298 135 135 PHE CD1 C 130.281 0.3 1 1299 135 135 PHE CD2 C 130.281 0.3 1 1300 135 135 PHE N N 131.716 0.3 1 stop_ save_