data_17596 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and sidechain 1H, 13C and 15N chemical shift assignments of the hydrophobin DewA from Aspergillus nidulans ; _BMRB_accession_number 17596 _BMRB_flat_file_name bmr17596.str _Entry_type original _Submission_date 2011-04-20 _Accession_date 2011-04-20 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Morris Vanessa K. . 2 Kwan Ann H. . 3 Mackay Joel P. . 4 Sunde Margaret . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1104 "13C chemical shifts" 854 "15N chemical shifts" 238 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-04-06 update BMRB 'update entry citation' 2011-08-19 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone and sidechain (1)H, (13)C and (15)N chemical shift assignments of the hydrophobin DewA from Aspergillus nidulans.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21845363 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Morris Vanessa K. . 2 Kwan Ann H. . 3 Mackay Joel P. . 4 Sunde Margaret . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 6 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 83 _Page_last 86 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name DewA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label DewA $DewA 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_DewA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common DewA _Molecular_mass . _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'fungal surface coating protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 118 _Mol_residue_sequence ; SLPASAAKNAKLATSAAFAK QAEGTTCNVGSIACCNSPAE TNNDSLLSGLLGAGLLNGLS GNTGSACAKASLIDQLGLLA LVDHTEEGPVCKNIVACCPE GTTNCVAVDNAGAGTKAE ; loop_ _Residue_seq_code _Residue_label 1 SER 2 LEU 3 PRO 4 ALA 5 SER 6 ALA 7 ALA 8 LYS 9 ASN 10 ALA 11 LYS 12 LEU 13 ALA 14 THR 15 SER 16 ALA 17 ALA 18 PHE 19 ALA 20 LYS 21 GLN 22 ALA 23 GLU 24 GLY 25 THR 26 THR 27 CYS 28 ASN 29 VAL 30 GLY 31 SER 32 ILE 33 ALA 34 CYS 35 CYS 36 ASN 37 SER 38 PRO 39 ALA 40 GLU 41 THR 42 ASN 43 ASN 44 ASP 45 SER 46 LEU 47 LEU 48 SER 49 GLY 50 LEU 51 LEU 52 GLY 53 ALA 54 GLY 55 LEU 56 LEU 57 ASN 58 GLY 59 LEU 60 SER 61 GLY 62 ASN 63 THR 64 GLY 65 SER 66 ALA 67 CYS 68 ALA 69 LYS 70 ALA 71 SER 72 LEU 73 ILE 74 ASP 75 GLN 76 LEU 77 GLY 78 LEU 79 LEU 80 ALA 81 LEU 82 VAL 83 ASP 84 HIS 85 THR 86 GLU 87 GLU 88 GLY 89 PRO 90 VAL 91 CYS 92 LYS 93 ASN 94 ILE 95 VAL 96 ALA 97 CYS 98 CYS 99 PRO 100 GLU 101 GLY 102 THR 103 THR 104 ASN 105 CYS 106 VAL 107 ALA 108 VAL 109 ASP 110 ASN 111 ALA 112 GLY 113 ALA 114 GLY 115 THR 116 LYS 117 ALA 118 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 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 2LSH "Solution Structure Of The Class I Hydrophobin Dewa" 100.00 118 100.00 100.00 2.37e-73 GB AAC13762 "spore-wall fungal hydrophobin [Aspergillus nidulans]" 100.00 135 99.15 100.00 1.78e-73 GB EAA58809 "DEWA_EMENI SPORE-WALL FUNGAL HYDROPHOBIN DEWA PRECURSOR [Aspergillus nidulans FGSC A4]" 100.00 135 99.15 100.00 1.78e-73 REF XP_681275 "DEWA_EMENI SPORE-WALL FUNGAL HYDROPHOBIN DEWA PRECURSOR [Aspergillus nidulans FGSC A4]" 100.00 135 99.15 100.00 1.78e-73 SP P52750 "RecName: Full=Spore-wall fungal hydrophobin dewA; Flags: Precursor" 100.00 135 99.15 100.00 1.78e-73 TPE CBF73692 "TPA: Spore-wall fungal hydrophobin dewA Precursor [Source:UniProtKB/Swiss-Prot;Acc:P52750] [Aspergillus nidulans FGSC A4]" 100.00 135 99.15 100.00 1.78e-73 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $DewA 'Aspergillus nidulans' 162425 Eukaryota Fungi Aspergillus nidulans 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 $DewA 'recombinant technology' . Escherichia coli . pHUE stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_DewA _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $DewA . uM 300 500 '[U-99% 15N]' DSS 0.1 mM . . 'natural abundance' 'sodium acetate' 20 mM . . 'natural abundance' H20 95 % . . 'natural abundance' D20 5 % . . 'natural abundance' stop_ save_ save_15N13C_DewA _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $DewA . uM 300 500 '[U-98% 13C; U-98% 15N]' DSS 0.1 mM . . 'natural abundance' 'sodium acetate' 20 mM . . 'natural abundance' H20 95 % . . 'natural abundance' D20 5 % . . 'natural abundance' stop_ save_ save_15N13C_DewA_D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $DewA . uM 300 500 '[U-98% 13C; U-98% 15N]' DSS 0.1 mM . . 'natural abundance' 'sodium acetate' 20 mM . . 'natural abundance' H20 95 % . . 'natural abundance' D20 5 % . . 'natural abundance' stop_ save_ save_unlabelled_DewA _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $DewA . uM 300 500 '[U-98% 13C; U-98% 15N]' DSS 0.1 mM . . 'natural abundance' 'sodium acetate' 20 mM . . 'natural abundance' H20 95 % . . 'natural abundance' D20 5 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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 $15N13C_DewA save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $15N13C_DewA save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $unlabelled_DewA save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $15N13C_DewA save_ save_3D_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $15N13C_DewA save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $15N13C_DewA save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $15N13C_DewA save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $15N13C_DewA save_ save_3D_HN(CA)CO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $15N13C_DewA save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N_DewA save_ save_3D_1H-15N_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $15N_DewA save_ save_3D_1H-13C_NOESY_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $15N13C_DewA_D2O save_ save_3D_HCCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $15N13C_DewA_D2O 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' 40 . mM pH 5.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 40 . mM pH 5.1 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D 1H-1H NOESY' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCACB' '3D HBHA(CO)NH' '3D HN(CA)CO' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D 1H-13C NOESY aliphatic' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $15N13C_DewA $unlabelled_DewA $15N_DewA $15N13C_DewA_D2O stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name DewA _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 1 1 SER HA H 4.151 0.012 1 2 1 1 SER HB2 H 4.000 0.038 2 3 1 1 SER HB3 H 3.899 0.017 2 4 1 1 SER C C 170.589 0.013 1 5 1 1 SER CA C 54.944 0.043 1 6 1 1 SER CB C 60.834 0.131 1 7 2 2 LEU H H 8.683 0.002 1 8 2 2 LEU HA H 4.659 0.007 1 9 2 2 LEU HB2 H 1.560 0.008 2 10 2 2 LEU HB3 H 1.560 0.008 2 11 2 2 LEU HG H 1.675 0.004 1 12 2 2 LEU HD1 H 0.909 0.005 2 13 2 2 LEU HD2 H 0.910 0.004 2 14 2 2 LEU C C 175.082 0.000 1 15 2 2 LEU CA C 50.835 0.061 1 16 2 2 LEU CB C 39.483 0.062 1 17 2 2 LEU CG C 24.660 0.042 1 18 2 2 LEU CD1 C 22.628 0.092 2 19 2 2 LEU CD2 C 21.031 0.024 2 20 2 2 LEU N N 124.072 0.040 1 21 3 3 PRO HA H 4.410 0.006 1 22 3 3 PRO HB2 H 2.302 0.013 2 23 3 3 PRO HB3 H 1.915 0.012 2 24 3 3 PRO HG2 H 2.015 0.003 2 25 3 3 PRO HG3 H 2.015 0.003 2 26 3 3 PRO HD2 H 3.853 0.003 2 27 3 3 PRO HD3 H 3.618 0.042 2 28 3 3 PRO C C 176.942 0.011 1 29 3 3 PRO CA C 60.680 0.057 1 30 3 3 PRO CB C 29.642 0.110 1 31 3 3 PRO CG C 25.024 0.041 1 32 3 3 PRO CD C 48.178 0.077 1 33 3 3 PRO N N 137.451 0.004 1 34 4 4 ALA H H 8.517 0.002 1 35 4 4 ALA HA H 4.260 0.012 1 36 4 4 ALA HB H 1.408 0.006 1 37 4 4 ALA C C 178.361 0.019 1 38 4 4 ALA CA C 50.647 0.057 1 39 4 4 ALA CB C 16.560 0.031 1 40 4 4 ALA N N 124.832 0.069 1 41 5 5 SER H H 8.234 0.002 1 42 5 5 SER HA H 4.353 0.008 1 43 5 5 SER HB2 H 3.924 0.011 2 44 5 5 SER HB3 H 3.864 0.006 2 45 5 5 SER C C 174.687 0.011 1 46 5 5 SER CA C 56.154 0.121 1 47 5 5 SER CB C 61.228 0.043 1 48 5 5 SER N N 114.124 0.024 1 49 6 6 ALA H H 8.173 0.003 1 50 6 6 ALA HA H 4.317 0.009 1 51 6 6 ALA HB H 1.393 0.006 1 52 6 6 ALA C C 177.811 0.032 1 53 6 6 ALA CA C 50.231 0.038 1 54 6 6 ALA CB C 16.714 0.046 1 55 6 6 ALA N N 125.912 0.029 1 56 7 7 ALA H H 8.091 0.001 1 57 7 7 ALA HA H 4.218 0.008 1 58 7 7 ALA HB H 1.364 0.007 1 59 7 7 ALA C C 178.189 0.054 1 60 7 7 ALA CA C 50.579 0.101 1 61 7 7 ALA CB C 16.504 0.040 1 62 7 7 ALA N N 122.823 0.004 1 63 8 8 LYS H H 8.149 0.002 1 64 8 8 LYS HA H 4.136 0.016 1 65 8 8 LYS HB2 H 1.767 0.031 2 66 8 8 LYS HB3 H 1.710 0.006 2 67 8 8 LYS HG2 H 1.395 0.002 2 68 8 8 LYS HG3 H 1.319 0.002 2 69 8 8 LYS HD2 H 1.609 0.002 2 70 8 8 LYS HD3 H 1.609 0.002 2 71 8 8 LYS HE2 H 2.937 0.002 2 72 8 8 LYS HE3 H 2.937 0.002 2 73 8 8 LYS C C 176.581 0.024 1 74 8 8 LYS CA C 54.357 0.119 1 75 8 8 LYS CB C 30.038 0.148 1 76 8 8 LYS CG C 22.325 0.031 1 77 8 8 LYS CD C 26.452 0.103 1 78 8 8 LYS CE C 39.578 0.055 1 79 8 8 LYS N N 119.619 0.040 1 80 9 9 ASN H H 8.166 0.004 1 81 9 9 ASN HA H 4.693 0.013 1 82 9 9 ASN HB2 H 2.810 0.085 2 83 9 9 ASN HB3 H 2.773 0.007 2 84 9 9 ASN HD21 H 7.628 0.002 2 85 9 9 ASN HD22 H 6.945 0.004 2 86 9 9 ASN C C 174.669 0.029 1 87 9 9 ASN CA C 50.639 0.064 1 88 9 9 ASN CB C 36.261 0.012 1 89 9 9 ASN N N 118.218 0.015 1 90 9 9 ASN ND2 N 112.799 0.217 1 91 10 10 ALA H H 7.996 0.004 1 92 10 10 ALA HA H 4.315 0.008 1 93 10 10 ALA HB H 1.368 0.002 1 94 10 10 ALA C C 177.054 0.020 1 95 10 10 ALA CA C 49.987 0.040 1 96 10 10 ALA CB C 17.301 0.021 1 97 10 10 ALA N N 123.873 0.010 1 98 11 11 LYS H H 7.867 0.005 1 99 11 11 LYS HA H 4.274 0.006 1 100 11 11 LYS HB2 H 1.863 0.007 2 101 11 11 LYS HB3 H 1.726 0.012 2 102 11 11 LYS HG2 H 1.487 0.005 2 103 11 11 LYS HG3 H 1.315 0.004 2 104 11 11 LYS HD2 H 1.630 0.005 2 105 11 11 LYS HD3 H 1.491 0.005 2 106 11 11 LYS HE2 H 2.957 0.001 2 107 11 11 LYS HE3 H 2.934 0.001 2 108 11 11 LYS C C 177.006 0.000 1 109 11 11 LYS CA C 52.450 0.134 1 110 11 11 LYS CB C 30.287 0.091 1 111 11 11 LYS CG C 22.549 0.056 1 112 11 11 LYS CD C 26.186 0.056 1 113 11 11 LYS CE C 39.799 0.164 1 114 11 11 LYS N N 120.135 0.015 1 115 12 12 LEU HA H 3.774 0.010 1 116 12 12 LEU HB2 H 1.324 0.010 2 117 12 12 LEU HB3 H 0.910 0.005 2 118 12 12 LEU HG H 0.932 0.013 1 119 12 12 LEU HD1 H 0.419 0.012 2 120 12 12 LEU HD2 H 0.259 0.019 2 121 12 12 LEU C C 180.216 0.000 1 122 12 12 LEU CA C 55.498 0.062 1 123 12 12 LEU CB C 38.877 0.101 1 124 12 12 LEU CG C 24.358 0.124 1 125 12 12 LEU CD1 C 22.851 0.074 2 126 12 12 LEU CD2 C 21.732 0.045 2 127 12 12 LEU N N 128.846 0.038 1 128 13 13 ALA H H 9.138 0.012 1 129 13 13 ALA HA H 3.900 0.017 1 130 13 13 ALA HB H 1.380 0.010 1 131 13 13 ALA C C 179.277 0.000 1 132 13 13 ALA CA C 52.776 0.055 1 133 13 13 ALA CB C 16.742 0.016 1 134 13 13 ALA N N 118.034 0.034 1 135 14 14 THR H H 6.679 0.003 1 136 14 14 THR HA H 4.532 0.009 1 137 14 14 THR HB H 4.658 0.008 1 138 14 14 THR HG2 H 1.082 0.008 1 139 14 14 THR C C 174.248 0.016 1 140 14 14 THR CA C 57.228 0.080 1 141 14 14 THR CB C 65.899 0.092 1 142 14 14 THR CG2 C 19.179 0.030 1 143 14 14 THR N N 137.116 0.048 1 144 15 15 SER H H 7.446 0.004 1 145 15 15 SER HA H 4.806 0.004 1 146 15 15 SER HB2 H 4.564 0.004 2 147 15 15 SER HB3 H 4.184 0.007 2 148 15 15 SER C C 176.918 0.035 1 149 15 15 SER CA C 53.763 0.109 1 150 15 15 SER CB C 61.513 0.101 1 151 15 15 SER N N 117.471 0.036 1 152 16 16 ALA H H 9.711 0.007 1 153 16 16 ALA HA H 4.286 0.012 1 154 16 16 ALA HB H 1.604 0.008 1 155 16 16 ALA C C 180.317 0.011 1 156 16 16 ALA CA C 52.550 0.045 1 157 16 16 ALA CB C 15.674 0.065 1 158 16 16 ALA N N 101.269 0.044 1 159 17 17 ALA H H 7.672 0.009 1 160 17 17 ALA HA H 4.008 0.005 1 161 17 17 ALA HB H 0.955 0.008 1 162 17 17 ALA C C 180.110 0.035 1 163 17 17 ALA CA C 51.972 0.040 1 164 17 17 ALA CB C 17.025 0.114 1 165 17 17 ALA N N 120.976 0.052 1 166 18 18 PHE H H 7.966 0.006 1 167 18 18 PHE HA H 4.546 0.012 1 168 18 18 PHE HB2 H 3.659 0.014 2 169 18 18 PHE HB3 H 3.197 0.016 2 170 18 18 PHE HD1 H 7.439 0.005 3 171 18 18 PHE HD2 H 7.439 0.005 3 172 18 18 PHE HE1 H 7.266 0.003 3 173 18 18 PHE HE2 H 7.266 0.003 3 174 18 18 PHE HZ H 6.985 0.008 1 175 18 18 PHE C C 177.078 0.072 1 176 18 18 PHE CA C 57.049 0.056 1 177 18 18 PHE CB C 37.125 0.094 1 178 18 18 PHE N N 122.588 0.069 1 179 19 19 ALA H H 7.776 0.004 1 180 19 19 ALA HA H 3.846 0.009 1 181 19 19 ALA HB H 1.486 0.008 1 182 19 19 ALA C C 180.724 0.011 1 183 19 19 ALA CA C 52.633 0.075 1 184 19 19 ALA CB C 14.852 0.049 1 185 19 19 ALA N N 121.097 0.040 1 186 20 20 LYS H H 7.401 0.004 1 187 20 20 LYS HA H 4.066 0.006 1 188 20 20 LYS HB2 H 1.880 0.006 2 189 20 20 LYS HB3 H 1.843 0.003 2 190 20 20 LYS HG2 H 1.537 0.003 2 191 20 20 LYS HG3 H 1.450 0.001 2 192 20 20 LYS HD2 H 1.655 0.002 2 193 20 20 LYS HD3 H 1.655 0.002 2 194 20 20 LYS HE2 H 2.917 0.005 2 195 20 20 LYS HE3 H 2.917 0.005 2 196 20 20 LYS C C 178.921 0.020 1 197 20 20 LYS CA C 56.220 0.053 1 198 20 20 LYS CB C 29.792 0.146 1 199 20 20 LYS CG C 22.610 0.126 1 200 20 20 LYS CD C 26.445 0.075 1 201 20 20 LYS CE C 39.337 0.093 1 202 20 20 LYS N N 116.689 0.044 1 203 21 21 GLN H H 7.791 0.006 1 204 21 21 GLN HA H 3.991 0.009 1 205 21 21 GLN HB2 H 2.313 0.009 2 206 21 21 GLN HB3 H 2.117 0.006 2 207 21 21 GLN HG2 H 2.507 0.005 2 208 21 21 GLN HG3 H 2.129 0.005 2 209 21 21 GLN HE21 H 7.399 0.003 2 210 21 21 GLN HE22 H 6.573 0.008 2 211 21 21 GLN C C 177.219 0.020 1 212 21 21 GLN CA C 56.283 0.052 1 213 21 21 GLN CB C 27.083 0.052 1 214 21 21 GLN CG C 32.368 0.066 1 215 21 21 GLN N N 120.806 0.029 1 216 21 21 GLN NE2 N 109.565 0.058 1 217 22 22 ALA H H 7.818 0.010 1 218 22 22 ALA HA H 4.046 0.016 1 219 22 22 ALA HB H 1.008 0.007 1 220 22 22 ALA C C 178.072 0.011 1 221 22 22 ALA CA C 49.736 0.093 1 222 22 22 ALA CB C 16.355 0.051 1 223 22 22 ALA N N 118.242 0.034 1 224 23 23 GLU H H 7.459 0.006 1 225 23 23 GLU HA H 4.040 0.019 1 226 23 23 GLU HB2 H 2.176 0.015 2 227 23 23 GLU HB3 H 2.043 0.018 2 228 23 23 GLU HG2 H 2.374 0.024 2 229 23 23 GLU HG3 H 2.290 0.019 2 230 23 23 GLU C C 177.235 0.033 1 231 23 23 GLU CA C 55.934 0.101 1 232 23 23 GLU CB C 26.939 0.190 1 233 23 23 GLU CG C 33.792 0.238 1 234 23 23 GLU N N 120.353 0.130 1 235 24 24 GLY H H 8.487 0.005 1 236 24 24 GLY HA2 H 4.059 0.004 2 237 24 24 GLY HA3 H 3.937 0.002 2 238 24 24 GLY C C 174.468 0.027 1 239 24 24 GLY CA C 42.989 0.068 1 240 24 24 GLY N N 110.096 0.043 1 241 25 25 THR H H 7.719 0.003 1 242 25 25 THR HA H 4.629 0.004 1 243 25 25 THR HB H 4.188 0.004 1 244 25 25 THR HG2 H 1.124 0.003 1 245 25 25 THR C C 175.287 0.000 1 246 25 25 THR CA C 58.626 0.046 1 247 25 25 THR CB C 68.404 0.228 1 248 25 25 THR N N 112.895 0.032 1 249 26 26 THR HG2 H 0.893 0.000 1 250 27 27 CYS H H 8.483 0.004 1 251 27 27 CYS HA H 4.746 0.011 1 252 27 27 CYS HB2 H 3.042 0.007 2 253 27 27 CYS HB3 H 2.798 0.013 2 254 27 27 CYS C C 175.104 0.000 1 255 27 27 CYS CA C 50.925 0.025 1 256 27 27 CYS CB C 36.597 0.037 1 257 27 27 CYS N N 121.274 0.028 1 258 28 28 ASN H H 8.632 0.006 1 259 28 28 ASN HA H 4.587 0.006 1 260 28 28 ASN HB2 H 2.829 0.005 2 261 28 28 ASN HB3 H 2.753 0.003 2 262 28 28 ASN HD21 H 7.791 0.005 2 263 28 28 ASN HD22 H 7.100 0.000 2 264 28 28 ASN CA C 51.669 0.049 1 265 28 28 ASN CB C 36.797 0.014 1 266 28 28 ASN N N 125.373 0.018 1 267 28 28 ASN ND2 N 114.194 0.000 1 268 29 29 VAL HA H 3.844 0.006 1 269 29 29 VAL HB H 2.111 0.004 1 270 29 29 VAL HG1 H 1.013 0.006 2 271 29 29 VAL HG2 H 0.990 0.004 2 272 29 29 VAL CA C 62.420 0.128 1 273 29 29 VAL CB C 29.437 0.074 1 274 29 29 VAL CG1 C 19.002 0.140 2 275 29 29 VAL CG2 C 18.413 0.037 2 276 30 30 GLY HA2 H 4.111 0.000 2 277 30 30 GLY HA3 H 4.111 0.000 2 278 31 31 SER HA H 4.689 0.001 1 279 31 31 SER HB2 H 4.005 0.001 2 280 31 31 SER HB3 H 4.005 0.001 2 281 32 32 ILE H H 8.236 0.005 1 282 32 32 ILE HA H 4.734 0.009 1 283 32 32 ILE HB H 1.905 0.006 1 284 32 32 ILE HG12 H 1.625 0.005 2 285 32 32 ILE HG13 H 1.205 0.006 2 286 32 32 ILE HG2 H 0.999 0.003 1 287 32 32 ILE HD1 H 0.723 0.005 1 288 32 32 ILE C C 174.848 0.016 1 289 32 32 ILE CA C 58.822 0.050 1 290 32 32 ILE CB C 35.534 0.101 1 291 32 32 ILE CG1 C 26.302 0.071 1 292 32 32 ILE CG2 C 16.312 0.058 1 293 32 32 ILE CD1 C 10.687 0.122 1 294 32 32 ILE N N 115.138 0.146 1 295 33 33 ALA H H 9.172 0.005 1 296 33 33 ALA HA H 5.020 0.007 1 297 33 33 ALA HB H 1.127 0.009 1 298 33 33 ALA C C 175.086 0.034 1 299 33 33 ALA CA C 48.193 0.057 1 300 33 33 ALA CB C 23.820 0.043 1 301 33 33 ALA N N 129.673 0.031 1 302 34 34 CYS H H 7.933 0.007 1 303 34 34 CYS HA H 5.970 0.004 1 304 34 34 CYS HB2 H 3.785 0.009 2 305 34 34 CYS HB3 H 2.380 0.008 2 306 34 34 CYS C C 175.639 0.070 1 307 34 34 CYS CA C 48.542 0.028 1 308 34 34 CYS CB C 35.081 0.093 1 309 34 34 CYS N N 113.858 0.130 1 310 35 35 CYS H H 9.428 0.006 1 311 35 35 CYS HA H 6.022 0.009 1 312 35 35 CYS HB2 H 2.919 0.007 2 313 35 35 CYS HB3 H 2.607 0.005 2 314 35 35 CYS C C 173.312 0.003 1 315 35 35 CYS CA C 52.285 0.041 1 316 35 35 CYS CB C 47.488 0.061 1 317 35 35 CYS N N 118.605 0.023 1 318 36 36 ASN H H 8.357 0.015 1 319 36 36 ASN HA H 5.378 0.006 1 320 36 36 ASN HB2 H 2.724 0.010 2 321 36 36 ASN HB3 H 2.531 0.009 2 322 36 36 ASN C C 175.100 0.001 1 323 36 36 ASN CA C 47.801 0.071 1 324 36 36 ASN CB C 38.728 0.045 1 325 36 36 ASN N N 121.706 0.095 1 326 37 37 SER H H 8.928 0.022 1 327 37 37 SER HA H 4.381 0.009 1 328 37 37 SER HB2 H 4.249 0.008 2 329 37 37 SER HB3 H 3.912 0.015 2 330 37 37 SER C C 173.315 0.000 1 331 37 37 SER CA C 54.740 0.068 1 332 37 37 SER CB C 59.663 0.124 1 333 37 37 SER N N 116.566 0.042 1 334 38 38 PRO HA H 4.096 0.006 1 335 38 38 PRO HB2 H 2.312 0.011 2 336 38 38 PRO HB3 H 1.940 0.002 2 337 38 38 PRO HG2 H 2.155 0.008 2 338 38 38 PRO HG3 H 1.739 0.000 2 339 38 38 PRO HD2 H 3.693 0.004 2 340 38 38 PRO HD3 H 3.693 0.004 2 341 38 38 PRO C C 178.596 0.000 1 342 38 38 PRO CA C 63.747 0.122 1 343 38 38 PRO CB C 29.158 0.148 1 344 38 38 PRO CG C 26.284 0.050 1 345 38 38 PRO CD C 48.020 0.113 1 346 39 39 ALA H H 8.168 0.004 1 347 39 39 ALA HA H 4.074 0.015 1 348 39 39 ALA HB H 1.355 0.007 1 349 39 39 ALA C C 179.967 0.031 1 350 39 39 ALA CA C 52.644 0.089 1 351 39 39 ALA CB C 16.024 0.107 1 352 39 39 ALA N N 118.766 0.045 1 353 40 40 GLU H H 7.417 0.004 1 354 40 40 GLU HA H 4.210 0.020 1 355 40 40 GLU HB2 H 2.132 0.009 2 356 40 40 GLU HB3 H 1.948 0.009 2 357 40 40 GLU HG2 H 2.265 0.006 2 358 40 40 GLU HG3 H 2.200 0.004 2 359 40 40 GLU C C 178.534 0.011 1 360 40 40 GLU CA C 55.366 0.055 1 361 40 40 GLU CB C 27.083 0.122 1 362 40 40 GLU CG C 34.070 0.006 1 363 40 40 GLU N N 115.698 0.038 1 364 41 41 THR H H 8.317 0.003 1 365 41 41 THR HA H 3.934 0.011 1 366 41 41 THR HB H 4.340 0.014 1 367 41 41 THR HG2 H 1.069 0.007 1 368 41 41 THR C C 175.395 0.067 1 369 41 41 THR CA C 64.692 0.064 1 370 41 41 THR CB C 66.608 0.110 1 371 41 41 THR CG2 C 19.113 0.063 1 372 41 41 THR N N 119.642 0.058 1 373 42 42 ASN H H 8.165 0.003 1 374 42 42 ASN HA H 4.380 0.011 1 375 42 42 ASN HB2 H 2.773 0.006 2 376 42 42 ASN HB3 H 2.728 0.004 2 377 42 42 ASN HD21 H 7.535 0.002 2 378 42 42 ASN HD22 H 6.858 0.007 2 379 42 42 ASN C C 175.881 0.044 1 380 42 42 ASN CA C 52.966 0.078 1 381 42 42 ASN CB C 36.259 0.047 1 382 42 42 ASN N N 117.108 0.032 1 383 42 42 ASN ND2 N 112.544 0.204 1 384 43 43 ASN H H 7.487 0.006 1 385 43 43 ASN HA H 4.679 0.011 1 386 43 43 ASN HB2 H 2.908 0.007 2 387 43 43 ASN HB3 H 2.817 0.006 2 388 43 43 ASN HD21 H 7.509 0.001 2 389 43 43 ASN HD22 H 6.787 0.006 2 390 43 43 ASN C C 173.925 0.033 1 391 43 43 ASN CA C 50.717 0.052 1 392 43 43 ASN CB C 36.363 0.058 1 393 43 43 ASN N N 114.601 0.077 1 394 43 43 ASN ND2 N 111.293 0.240 1 395 44 44 ASP H H 7.699 0.007 1 396 44 44 ASP HA H 4.962 0.011 1 397 44 44 ASP HB2 H 2.918 0.015 2 398 44 44 ASP HB3 H 2.406 0.009 2 399 44 44 ASP C C 175.607 0.011 1 400 44 44 ASP CA C 51.044 0.061 1 401 44 44 ASP CB C 42.218 0.100 1 402 44 44 ASP N N 121.583 0.034 1 403 45 45 SER H H 9.003 0.005 1 404 45 45 SER HA H 4.125 0.011 1 405 45 45 SER HB2 H 3.928 0.009 2 406 45 45 SER HB3 H 3.928 0.009 2 407 45 45 SER C C 175.727 0.075 1 408 45 45 SER CA C 59.401 0.011 1 409 45 45 SER CB C 60.275 0.072 1 410 45 45 SER N N 123.695 0.038 1 411 46 46 LEU H H 8.040 0.004 1 412 46 46 LEU HA H 4.319 0.009 1 413 46 46 LEU HB2 H 1.966 0.009 2 414 46 46 LEU HB3 H 1.664 0.004 2 415 46 46 LEU HG H 1.446 0.004 1 416 46 46 LEU HD1 H 0.935 0.004 2 417 46 46 LEU HD2 H 0.964 0.001 2 418 46 46 LEU C C 178.651 0.040 1 419 46 46 LEU CA C 55.641 0.187 1 420 46 46 LEU CB C 39.066 0.087 1 421 46 46 LEU CG C 24.980 0.086 1 422 46 46 LEU CD1 C 23.503 0.022 2 423 46 46 LEU CD2 C 21.197 0.000 2 424 46 46 LEU N N 124.738 0.081 1 425 47 47 LEU H H 8.904 0.006 1 426 47 47 LEU HA H 3.860 0.009 1 427 47 47 LEU HB2 H 2.045 0.006 2 428 47 47 LEU HB3 H 1.408 0.006 2 429 47 47 LEU HG H 1.911 0.002 1 430 47 47 LEU HD1 H 0.865 0.002 2 431 47 47 LEU HD2 H 0.761 0.002 2 432 47 47 LEU C C 179.128 0.055 1 433 47 47 LEU CA C 55.913 0.059 1 434 47 47 LEU CB C 39.835 0.058 1 435 47 47 LEU CG C 24.075 0.108 1 436 47 47 LEU CD1 C 23.954 0.042 2 437 47 47 LEU CD2 C 21.419 0.087 2 438 47 47 LEU N N 119.264 0.018 1 439 48 48 SER H H 8.455 0.006 1 440 48 48 SER HA H 3.895 0.006 1 441 48 48 SER HB2 H 4.003 0.007 2 442 48 48 SER HB3 H 4.003 0.007 2 443 48 48 SER C C 178.549 0.000 1 444 48 48 SER CA C 59.672 0.062 1 445 48 48 SER CB C 60.401 0.136 1 446 48 48 SER N N 111.723 0.028 1 447 49 49 GLY H H 8.106 0.009 1 448 49 49 GLY HA2 H 3.932 0.012 2 449 49 49 GLY HA3 H 3.932 0.012 2 450 49 49 GLY C C 176.449 0.011 1 451 49 49 GLY CA C 44.588 0.006 1 452 49 49 GLY N N 112.111 0.036 1 453 50 50 LEU H H 8.531 0.006 1 454 50 50 LEU HA H 4.068 0.010 1 455 50 50 LEU HB2 H 1.987 0.006 2 456 50 50 LEU HB3 H 1.230 0.010 2 457 50 50 LEU HG H 1.994 0.002 1 458 50 50 LEU HD1 H 0.758 0.002 2 459 50 50 LEU HD2 H 0.801 0.001 2 460 50 50 LEU C C 179.525 0.014 1 461 50 50 LEU CA C 55.577 0.049 1 462 50 50 LEU CB C 39.453 0.047 1 463 50 50 LEU CG C 24.220 0.038 1 464 50 50 LEU CD1 C 24.674 0.053 2 465 50 50 LEU CD2 C 20.881 0.024 2 466 50 50 LEU N N 122.626 0.019 1 467 51 51 LEU H H 8.371 0.003 1 468 51 51 LEU HA H 4.147 0.004 1 469 51 51 LEU HB2 H 1.949 0.002 2 470 51 51 LEU HB3 H 1.432 0.002 2 471 51 51 LEU HG H 1.490 0.005 1 472 51 51 LEU HD1 H 0.768 0.003 2 473 51 51 LEU HD2 H 0.831 0.004 2 474 51 51 LEU C C 181.240 0.040 1 475 51 51 LEU CA C 56.021 0.090 1 476 51 51 LEU CB C 40.005 0.085 1 477 51 51 LEU CG C 24.374 0.146 1 478 51 51 LEU CD1 C 23.626 0.071 2 479 51 51 LEU CD2 C 20.731 0.204 2 480 51 51 LEU N N 121.198 0.074 1 481 52 52 GLY H H 8.383 0.005 1 482 52 52 GLY HA2 H 3.985 0.007 2 483 52 52 GLY HA3 H 3.879 0.007 2 484 52 52 GLY C C 174.993 0.012 1 485 52 52 GLY CA C 44.546 0.015 1 486 52 52 GLY N N 108.426 0.012 1 487 53 53 ALA H H 7.621 0.005 1 488 53 53 ALA HA H 4.453 0.009 1 489 53 53 ALA HB H 1.479 0.005 1 490 53 53 ALA C C 177.563 0.019 1 491 53 53 ALA CA C 49.417 0.099 1 492 53 53 ALA CB C 17.121 0.084 1 493 53 53 ALA N N 120.197 0.022 1 494 54 54 GLY H H 7.997 0.003 1 495 54 54 GLY HA2 H 4.160 0.006 2 496 54 54 GLY HA3 H 3.996 0.011 2 497 54 54 GLY C C 174.896 0.029 1 498 54 54 GLY CA C 43.251 0.095 1 499 54 54 GLY N N 106.795 0.037 1 500 55 55 LEU H H 7.918 0.003 1 501 55 55 LEU HA H 4.374 0.008 1 502 55 55 LEU HB2 H 1.638 0.010 2 503 55 55 LEU HB3 H 1.638 0.010 2 504 55 55 LEU HG H 1.715 0.007 1 505 55 55 LEU HD1 H 0.805 0.001 2 506 55 55 LEU HD2 H 0.788 0.001 2 507 55 55 LEU C C 176.310 0.007 1 508 55 55 LEU CA C 53.220 0.006 1 509 55 55 LEU CB C 40.589 0.055 1 510 55 55 LEU CG C 24.786 0.184 1 511 55 55 LEU CD1 C 23.217 0.121 2 512 55 55 LEU CD2 C 20.996 0.000 2 513 55 55 LEU N N 118.766 0.032 1 514 56 56 LEU H H 6.986 0.007 1 515 56 56 LEU HA H 4.698 0.006 1 516 56 56 LEU HB2 H 1.936 0.009 2 517 56 56 LEU HB3 H 1.312 0.006 2 518 56 56 LEU HG H 1.452 0.005 1 519 56 56 LEU HD1 H 0.853 0.004 2 520 56 56 LEU HD2 H 0.883 0.004 2 521 56 56 LEU C C 174.945 0.025 1 522 56 56 LEU CA C 50.395 0.053 1 523 56 56 LEU CB C 41.016 0.076 1 524 56 56 LEU CD1 C 25.077 0.119 2 525 56 56 LEU CD2 C 20.311 0.093 2 526 56 56 LEU N N 114.293 0.017 1 527 57 57 ASN H H 8.099 0.003 1 528 57 57 ASN HA H 4.878 0.012 1 529 57 57 ASN HB2 H 3.002 0.007 2 530 57 57 ASN HB3 H 2.383 0.009 2 531 57 57 ASN HD21 H 7.283 0.007 2 532 57 57 ASN HD22 H 6.892 0.005 2 533 57 57 ASN C C 173.941 0.015 1 534 57 57 ASN CA C 50.300 0.117 1 535 57 57 ASN CB C 40.052 0.130 1 536 57 57 ASN N N 118.025 0.027 1 537 57 57 ASN ND2 N 111.635 0.081 1 538 58 58 GLY H H 8.198 0.004 1 539 58 58 GLY HA2 H 4.574 0.004 2 540 58 58 GLY HA3 H 3.629 0.007 2 541 58 58 GLY C C 172.755 0.052 1 542 58 58 GLY CA C 41.451 0.075 1 543 58 58 GLY N N 105.975 0.025 1 544 59 59 LEU H H 7.972 0.006 1 545 59 59 LEU HA H 4.389 0.006 1 546 59 59 LEU HB2 H 1.720 0.008 2 547 59 59 LEU HB3 H 1.324 0.011 2 548 59 59 LEU HG H 1.452 0.005 1 549 59 59 LEU HD1 H 0.773 0.006 2 550 59 59 LEU HD2 H 0.777 0.005 2 551 59 59 LEU C C 177.199 0.017 1 552 59 59 LEU CA C 50.934 0.076 1 553 59 59 LEU CB C 41.945 0.082 1 554 59 59 LEU CG C 24.174 0.167 1 555 59 59 LEU CD1 C 23.827 0.061 2 556 59 59 LEU CD2 C 21.176 0.108 2 557 59 59 LEU N N 120.054 0.051 1 558 60 60 SER H H 9.043 0.005 1 559 60 60 SER HA H 4.082 0.022 1 560 60 60 SER HB2 H 3.890 0.014 2 561 60 60 SER HB3 H 3.801 0.013 2 562 60 60 SER C C 175.967 0.000 1 563 60 60 SER CA C 57.657 0.062 1 564 60 60 SER CB C 60.520 0.077 1 565 60 60 SER N N 122.201 0.015 1 566 61 61 GLY H H 9.019 0.003 1 567 61 61 GLY HA2 H 4.205 0.012 2 568 61 61 GLY HA3 H 3.797 0.009 2 569 61 61 GLY C C 173.814 0.025 1 570 61 61 GLY CA C 43.334 0.038 1 571 61 61 GLY N N 115.271 0.025 1 572 62 62 ASN H H 7.891 0.004 1 573 62 62 ASN HA H 5.062 0.011 1 574 62 62 ASN HB2 H 2.683 0.007 2 575 62 62 ASN HB3 H 2.371 0.012 2 576 62 62 ASN HD21 H 6.989 0.001 2 577 62 62 ASN HD22 H 6.892 0.002 2 578 62 62 ASN C C 174.524 0.017 1 579 62 62 ASN CA C 48.978 0.055 1 580 62 62 ASN CB C 37.225 0.089 1 581 62 62 ASN N N 120.380 0.021 1 582 62 62 ASN ND2 N 110.355 0.149 1 583 63 63 THR H H 8.695 0.004 1 584 63 63 THR HA H 4.068 0.012 1 585 63 63 THR HB H 4.046 0.007 1 586 63 63 THR HG2 H 1.248 0.007 1 587 63 63 THR C C 174.646 0.013 1 588 63 63 THR CA C 62.721 0.066 1 589 63 63 THR CB C 66.492 0.083 1 590 63 63 THR CG2 C 19.398 0.115 1 591 63 63 THR N N 121.280 0.035 1 592 64 64 GLY H H 8.952 0.004 1 593 64 64 GLY HA2 H 4.336 0.006 2 594 64 64 GLY HA3 H 3.659 0.014 2 595 64 64 GLY C C 174.066 0.000 1 596 64 64 GLY CA C 42.281 0.132 1 597 64 64 GLY N N 115.256 0.030 1 598 65 65 SER H H 7.663 0.004 1 599 65 65 SER HA H 4.151 0.009 1 600 65 65 SER HB2 H 3.886 0.016 2 601 65 65 SER HB3 H 3.756 0.010 2 602 65 65 SER C C 172.549 0.068 1 603 65 65 SER CA C 56.575 0.033 1 604 65 65 SER CB C 62.881 0.087 1 605 65 65 SER N N 114.864 0.038 1 606 66 66 ALA H H 7.611 0.004 1 607 66 66 ALA HA H 4.926 0.012 1 608 66 66 ALA HB H 1.317 0.009 1 609 66 66 ALA C C 176.000 0.020 1 610 66 66 ALA CA C 48.611 0.107 1 611 66 66 ALA CB C 21.020 0.068 1 612 66 66 ALA N N 122.216 0.093 1 613 67 67 CYS H H 8.693 0.006 1 614 67 67 CYS HA H 5.558 0.009 1 615 67 67 CYS HB2 H 2.695 0.005 2 616 67 67 CYS HB3 H 2.499 0.011 2 617 67 67 CYS C C 173.347 0.011 1 618 67 67 CYS CA C 51.930 0.042 1 619 67 67 CYS CB C 46.483 0.033 1 620 67 67 CYS N N 117.089 0.053 1 621 68 68 ALA H H 8.793 0.002 1 622 68 68 ALA HA H 4.851 0.016 1 623 68 68 ALA HB H 1.186 0.011 1 624 68 68 ALA C C 175.651 0.011 1 625 68 68 ALA CA C 48.023 0.107 1 626 68 68 ALA CB C 21.474 0.045 1 627 68 68 ALA N N 121.214 0.049 1 628 69 69 LYS H H 8.774 0.003 1 629 69 69 LYS HA H 4.468 0.009 1 630 69 69 LYS HB2 H 2.140 0.005 2 631 69 69 LYS HB3 H 1.674 0.002 2 632 69 69 LYS HG2 H 1.596 0.005 2 633 69 69 LYS HG3 H 1.392 0.009 2 634 69 69 LYS HD2 H 1.930 0.004 2 635 69 69 LYS HD3 H 1.786 0.003 2 636 69 69 LYS HE2 H 3.015 0.007 2 637 69 69 LYS HE3 H 3.015 0.007 2 638 69 69 LYS C C 177.446 0.000 1 639 69 69 LYS CA C 54.299 0.029 1 640 69 69 LYS CB C 30.766 0.061 1 641 69 69 LYS CG C 24.118 0.050 1 642 69 69 LYS CD C 26.986 0.057 1 643 69 69 LYS CE C 39.599 0.004 1 644 69 69 LYS N N 121.646 0.009 1 645 70 70 ALA H H 8.366 0.004 1 646 70 70 ALA HA H 3.799 0.013 1 647 70 70 ALA HB H 1.215 0.008 1 648 70 70 ALA CA C 53.526 0.064 1 649 70 70 ALA CB C 16.200 0.050 1 650 70 70 ALA N N 124.172 0.000 1 651 71 71 SER H H 8.656 0.006 1 652 71 71 SER HA H 4.166 0.011 1 653 71 71 SER HB2 H 3.903 0.015 2 654 71 71 SER HB3 H 3.903 0.015 2 655 71 71 SER C C 176.883 0.000 1 656 71 71 SER CA C 58.404 0.048 1 657 71 71 SER CB C 59.350 0.173 1 658 71 71 SER N N 109.573 0.045 1 659 72 72 LEU H H 7.006 0.003 1 660 72 72 LEU HA H 4.293 0.006 1 661 72 72 LEU HB2 H 1.859 0.005 2 662 72 72 LEU HB3 H 1.640 0.005 2 663 72 72 LEU HG H 1.594 0.002 1 664 72 72 LEU HD1 H 0.937 0.003 2 665 72 72 LEU HD2 H 0.987 0.005 2 666 72 72 LEU C C 178.740 0.020 1 667 72 72 LEU CA C 54.809 0.019 1 668 72 72 LEU CB C 40.166 0.091 1 669 72 72 LEU CG C 24.753 0.120 1 670 72 72 LEU CD1 C 23.203 0.106 2 671 72 72 LEU CD2 C 21.613 0.111 2 672 72 72 LEU N N 125.089 0.038 1 673 73 73 ILE H H 8.070 0.005 1 674 73 73 ILE HA H 3.248 0.007 1 675 73 73 ILE HB H 1.915 0.012 1 676 73 73 ILE HG12 H 1.728 0.002 2 677 73 73 ILE HG13 H 0.806 0.003 2 678 73 73 ILE HG2 H 0.708 0.003 1 679 73 73 ILE HD1 H 0.686 0.004 1 680 73 73 ILE C C 179.135 0.025 1 681 73 73 ILE CA C 64.287 0.043 1 682 73 73 ILE CB C 34.850 0.081 1 683 73 73 ILE CG1 C 27.814 0.074 1 684 73 73 ILE CG2 C 14.128 0.080 1 685 73 73 ILE CD1 C 12.545 0.053 1 686 73 73 ILE N N 120.677 0.020 1 687 74 74 ASP H H 8.102 0.003 1 688 74 74 ASP HA H 4.438 0.012 1 689 74 74 ASP HB2 H 2.714 0.009 2 690 74 74 ASP HB3 H 2.544 0.013 2 691 74 74 ASP C C 178.408 0.033 1 692 74 74 ASP CA C 54.314 0.067 1 693 74 74 ASP CB C 38.328 0.031 1 694 74 74 ASP N N 118.007 0.057 1 695 75 75 GLN H H 7.936 0.003 1 696 75 75 GLN HA H 4.082 0.009 1 697 75 75 GLN HB2 H 2.270 0.009 2 698 75 75 GLN HB3 H 2.074 0.007 2 699 75 75 GLN HG2 H 2.486 0.004 2 700 75 75 GLN HG3 H 2.330 0.005 2 701 75 75 GLN HE21 H 7.387 0.003 2 702 75 75 GLN HE22 H 6.724 0.004 2 703 75 75 GLN C C 177.740 0.011 1 704 75 75 GLN CA C 56.411 0.040 1 705 75 75 GLN CB C 27.093 0.037 1 706 75 75 GLN CG C 31.198 0.078 1 707 75 75 GLN N N 119.900 0.024 1 708 75 75 GLN NE2 N 110.243 0.174 1 709 76 76 LEU H H 8.347 0.006 1 710 76 76 LEU HA H 4.377 0.008 1 711 76 76 LEU HB2 H 1.637 0.004 2 712 76 76 LEU HB3 H 1.530 0.006 2 713 76 76 LEU HG H 1.711 0.002 1 714 76 76 LEU HD1 H 0.805 0.004 2 715 76 76 LEU HD2 H 0.785 0.003 2 716 76 76 LEU C C 176.875 0.029 1 717 76 76 LEU CA C 52.010 0.099 1 718 76 76 LEU CB C 40.003 0.044 1 719 76 76 LEU CG C 24.610 0.045 1 720 76 76 LEU CD1 C 23.280 0.115 2 721 76 76 LEU CD2 C 20.213 0.061 2 722 76 76 LEU N N 114.404 0.091 1 723 77 77 GLY H H 7.790 0.006 1 724 77 77 GLY HA2 H 3.945 0.016 2 725 77 77 GLY HA3 H 3.945 0.016 2 726 77 77 GLY C C 176.543 0.035 1 727 77 77 GLY CA C 44.626 0.115 1 728 77 77 GLY N N 109.693 0.039 1 729 78 78 LEU H H 7.585 0.004 1 730 78 78 LEU HA H 4.572 0.008 1 731 78 78 LEU HB2 H 1.842 0.003 2 732 78 78 LEU HB3 H 1.281 0.004 2 733 78 78 LEU HG H 1.576 0.003 1 734 78 78 LEU HD1 H 0.623 0.004 2 735 78 78 LEU HD2 H 0.646 0.004 2 736 78 78 LEU C C 176.543 0.011 1 737 78 78 LEU CA C 50.300 0.096 1 738 78 78 LEU CB C 37.129 0.047 1 739 78 78 LEU CG C 23.583 0.037 1 740 78 78 LEU CD1 C 23.163 0.097 2 741 78 78 LEU CD2 C 20.573 0.039 2 742 78 78 LEU N N 119.747 0.021 1 743 79 79 LEU H H 8.034 0.002 1 744 79 79 LEU HA H 3.865 0.005 1 745 79 79 LEU HB2 H 1.743 0.013 2 746 79 79 LEU HB3 H 1.625 0.005 2 747 79 79 LEU HG H 1.623 0.003 1 748 79 79 LEU HD1 H 0.955 0.003 2 749 79 79 LEU HD2 H 0.824 0.006 2 750 79 79 LEU C C 179.049 0.045 1 751 79 79 LEU CA C 54.568 0.038 1 752 79 79 LEU CB C 39.004 0.035 1 753 79 79 LEU CG C 24.856 0.011 1 754 79 79 LEU CD1 C 22.611 0.000 2 755 79 79 LEU CD2 C 20.301 0.040 2 756 79 79 LEU N N 122.111 0.039 1 757 80 80 ALA H H 8.877 0.007 1 758 80 80 ALA HA H 4.226 0.012 1 759 80 80 ALA HB H 1.396 0.009 1 760 80 80 ALA C C 179.355 0.044 1 761 80 80 ALA CA C 51.752 0.029 1 762 80 80 ALA CB C 16.479 0.049 1 763 80 80 ALA N N 120.085 0.018 1 764 81 81 LEU H H 7.489 0.004 1 765 81 81 LEU HA H 4.421 0.013 1 766 81 81 LEU HB2 H 1.852 0.010 2 767 81 81 LEU HB3 H 1.525 0.017 2 768 81 81 LEU HG H 1.417 0.003 1 769 81 81 LEU HD1 H 0.885 0.006 2 770 81 81 LEU HD2 H 0.699 0.005 2 771 81 81 LEU C C 177.622 0.035 1 772 81 81 LEU CA C 52.873 0.130 1 773 81 81 LEU CB C 41.845 0.061 1 774 81 81 LEU CG C 25.083 0.052 1 775 81 81 LEU CD1 C 25.098 0.014 2 776 81 81 LEU CD2 C 20.753 0.072 2 777 81 81 LEU N N 113.168 0.020 1 778 82 82 VAL H H 7.808 0.004 1 779 82 82 VAL HA H 5.063 0.011 1 780 82 82 VAL HB H 2.075 0.017 1 781 82 82 VAL HG1 H 0.729 0.003 2 782 82 82 VAL HG2 H 0.777 0.003 2 783 82 82 VAL C C 173.690 0.024 1 784 82 82 VAL CA C 58.191 0.085 1 785 82 82 VAL CB C 33.112 0.046 1 786 82 82 VAL CG1 C 20.239 0.045 2 787 82 82 VAL CG2 C 17.813 0.082 2 788 82 82 VAL N N 116.754 0.027 1 789 83 83 ASP H H 8.711 0.005 1 790 83 83 ASP HA H 5.029 0.016 1 791 83 83 ASP HB2 H 2.437 0.022 2 792 83 83 ASP HB3 H 2.126 0.016 2 793 83 83 ASP C C 175.166 0.029 1 794 83 83 ASP CA C 49.145 0.082 1 795 83 83 ASP CB C 42.593 0.140 1 796 83 83 ASP N N 121.419 0.049 1 797 84 84 HIS H H 8.850 0.015 1 798 84 84 HIS HA H 4.599 0.006 1 799 84 84 HIS HB2 H 3.126 0.059 2 800 84 84 HIS HB3 H 3.202 0.007 2 801 84 84 HIS HD2 H 7.473 0.025 1 802 84 84 HIS HE1 H 8.323 0.000 1 803 84 84 HIS C C 173.878 0.024 1 804 84 84 HIS CA C 54.102 0.421 1 805 84 84 HIS CB C 27.687 0.304 1 806 84 84 HIS N N 119.499 0.062 1 807 85 85 THR H H 7.227 0.007 1 808 85 85 THR HA H 4.860 0.006 1 809 85 85 THR HB H 4.452 0.009 1 810 85 85 THR HG2 H 1.158 0.007 1 811 85 85 THR C C 176.014 0.000 1 812 85 85 THR CA C 57.682 0.090 1 813 85 85 THR CB C 70.222 0.049 1 814 85 85 THR CG2 C 19.012 0.039 1 815 85 85 THR N N 114.305 0.043 1 816 86 86 GLU H H 9.235 0.007 1 817 86 86 GLU HA H 4.111 0.014 1 818 86 86 GLU HB2 H 2.148 0.009 2 819 86 86 GLU HB3 H 2.080 0.009 2 820 86 86 GLU HG2 H 2.387 0.008 2 821 86 86 GLU HG3 H 2.349 0.009 2 822 86 86 GLU C C 177.196 0.011 1 823 86 86 GLU CA C 56.577 0.053 1 824 86 86 GLU CB C 26.720 0.040 1 825 86 86 GLU CG C 33.949 0.216 1 826 86 86 GLU N N 121.198 0.031 1 827 87 87 GLU H H 7.891 0.005 1 828 87 87 GLU HA H 4.539 0.009 1 829 87 87 GLU HB2 H 2.353 0.007 2 830 87 87 GLU HB3 H 1.688 0.011 2 831 87 87 GLU HG2 H 2.212 0.010 2 832 87 87 GLU HG3 H 2.212 0.010 2 833 87 87 GLU C C 174.786 0.029 1 834 87 87 GLU CA C 53.375 0.047 1 835 87 87 GLU CB C 28.035 0.186 1 836 87 87 GLU CG C 34.535 0.188 1 837 87 87 GLU N N 116.046 0.053 1 838 88 88 GLY H H 7.388 0.003 1 839 88 88 GLY HA2 H 5.034 0.013 2 840 88 88 GLY HA3 H 3.958 0.008 2 841 88 88 GLY C C 172.846 0.000 1 842 88 88 GLY CA C 41.764 0.135 1 843 88 88 GLY N N 108.655 0.151 1 844 89 89 PRO HA H 5.215 0.012 1 845 89 89 PRO HB2 H 1.822 0.003 2 846 89 89 PRO HB3 H 1.583 0.006 2 847 89 89 PRO HG2 H 1.762 0.003 2 848 89 89 PRO HG3 H 1.762 0.003 2 849 89 89 PRO HD2 H 3.648 0.005 2 850 89 89 PRO HD3 H 3.569 0.001 2 851 89 89 PRO C C 175.967 0.000 1 852 89 89 PRO CA C 60.143 0.099 1 853 89 89 PRO CB C 29.640 0.132 1 854 89 89 PRO CG C 25.085 0.047 1 855 89 89 PRO CD C 50.591 0.000 1 856 89 89 PRO N N 144.273 0.022 1 857 90 90 VAL H H 8.228 0.010 1 858 90 90 VAL HA H 4.441 0.014 1 859 90 90 VAL HB H 2.216 0.012 1 860 90 90 VAL HG1 H 0.689 0.008 2 861 90 90 VAL HG2 H 0.569 0.005 2 862 90 90 VAL C C 176.249 0.033 1 863 90 90 VAL CA C 56.989 0.079 1 864 90 90 VAL CB C 33.915 0.055 1 865 90 90 VAL CG1 C 21.552 0.059 2 866 90 90 VAL CG2 C 15.336 0.082 2 867 90 90 VAL N N 111.498 0.141 1 868 91 91 CYS H H 9.690 0.007 1 869 91 91 CYS HA H 4.947 0.011 1 870 91 91 CYS HB2 H 3.166 0.007 2 871 91 91 CYS HB3 H 2.471 0.006 2 872 91 91 CYS C C 176.460 0.000 1 873 91 91 CYS CA C 51.048 0.063 1 874 91 91 CYS CB C 30.289 0.049 1 875 91 91 CYS N N 118.846 0.077 1 876 92 92 LYS H H 8.767 0.005 1 877 92 92 LYS HA H 3.772 0.010 1 878 92 92 LYS HB2 H 1.497 0.003 2 879 92 92 LYS HB3 H 1.303 0.008 2 880 92 92 LYS HG2 H 1.290 0.005 2 881 92 92 LYS HG3 H 1.263 0.010 2 882 92 92 LYS HD2 H 1.624 0.003 2 883 92 92 LYS HD3 H 1.562 0.008 2 884 92 92 LYS HE2 H 2.950 0.007 2 885 92 92 LYS HE3 H 2.950 0.007 2 886 92 92 LYS C C 175.550 0.041 1 887 92 92 LYS CA C 56.761 0.045 1 888 92 92 LYS CB C 31.000 0.065 1 889 92 92 LYS CG C 21.973 0.017 1 890 92 92 LYS CD C 26.852 0.054 1 891 92 92 LYS CE C 39.390 0.071 1 892 92 92 LYS N N 125.780 0.034 1 893 93 93 ASN H H 9.191 0.006 1 894 93 93 ASN HA H 5.077 0.012 1 895 93 93 ASN HB2 H 3.187 0.007 2 896 93 93 ASN HB3 H 2.982 0.014 2 897 93 93 ASN HD21 H 7.604 0.007 2 898 93 93 ASN HD22 H 7.159 0.005 2 899 93 93 ASN C C 173.573 0.047 1 900 93 93 ASN CA C 51.336 0.075 1 901 93 93 ASN CB C 38.289 0.037 1 902 93 93 ASN N N 115.657 0.029 1 903 93 93 ASN ND2 N 114.513 0.025 1 904 94 94 ILE H H 7.588 0.005 1 905 94 94 ILE HA H 4.178 0.017 1 906 94 94 ILE HB H 1.529 0.006 1 907 94 94 ILE HG12 H 1.386 0.006 2 908 94 94 ILE HG13 H 1.013 0.005 2 909 94 94 ILE HG2 H 0.796 0.003 1 910 94 94 ILE HD1 H 0.626 0.009 1 911 94 94 ILE C C 174.384 0.036 1 912 94 94 ILE CA C 58.742 0.051 1 913 94 94 ILE CB C 39.667 0.071 1 914 94 94 ILE CG1 C 25.610 0.116 1 915 94 94 ILE CG2 C 15.126 0.059 1 916 94 94 ILE CD1 C 11.136 0.057 1 917 94 94 ILE N N 121.711 0.075 1 918 95 95 VAL H H 8.405 0.004 1 919 95 95 VAL HA H 4.848 0.009 1 920 95 95 VAL HB H 1.907 0.006 1 921 95 95 VAL HG1 H 0.906 0.005 2 922 95 95 VAL HG2 H 0.935 0.003 2 923 95 95 VAL C C 174.547 0.129 1 924 95 95 VAL CA C 58.824 0.023 1 925 95 95 VAL CB C 29.892 0.064 1 926 95 95 VAL CG1 C 19.441 0.064 2 927 95 95 VAL CG2 C 19.085 0.030 2 928 95 95 VAL N N 127.897 0.033 1 929 96 96 ALA H H 9.280 0.005 1 930 96 96 ALA HA H 5.094 0.010 1 931 96 96 ALA HB H 1.102 0.009 1 932 96 96 ALA C C 174.019 0.033 1 933 96 96 ALA CA C 48.016 0.033 1 934 96 96 ALA CB C 23.560 0.060 1 935 96 96 ALA N N 129.960 0.019 1 936 97 97 CYS H H 9.050 0.007 1 937 97 97 CYS HA H 5.190 0.007 1 938 97 97 CYS HB2 H 3.024 0.010 2 939 97 97 CYS HB3 H 2.680 0.009 2 940 97 97 CYS C C 175.164 0.005 1 941 97 97 CYS CA C 51.552 0.070 1 942 97 97 CYS CB C 39.288 0.122 1 943 97 97 CYS N N 117.840 0.037 1 944 98 98 CYS H H 9.135 0.003 1 945 98 98 CYS HA H 5.176 0.005 1 946 98 98 CYS HB2 H 3.143 0.015 2 947 98 98 CYS HB3 H 2.785 0.008 2 948 98 98 CYS CA C 50.140 0.129 1 949 98 98 CYS CB C 40.819 0.066 1 950 98 98 CYS N N 127.652 0.140 1 951 99 99 PRO HA H 4.499 0.009 1 952 99 99 PRO HB2 H 2.315 0.014 2 953 99 99 PRO HB3 H 1.961 0.011 2 954 99 99 PRO HG2 H 1.933 0.003 2 955 99 99 PRO HG3 H 1.933 0.003 2 956 99 99 PRO HD2 H 3.859 0.008 2 957 99 99 PRO HD3 H 3.701 0.011 2 958 99 99 PRO C C 176.460 0.000 1 959 99 99 PRO CA C 60.219 0.040 1 960 99 99 PRO CB C 29.869 0.074 1 961 99 99 PRO CG C 24.784 0.056 1 962 99 99 PRO CD C 48.579 0.182 1 963 99 99 PRO N N 138.025 0.078 1 964 100 100 GLU H H 8.565 0.005 1 965 100 100 GLU HA H 4.162 0.015 1 966 100 100 GLU HB2 H 1.975 0.012 2 967 100 100 GLU HB3 H 1.975 0.012 2 968 100 100 GLU HG2 H 2.299 0.009 2 969 100 100 GLU HG3 H 2.299 0.009 2 970 100 100 GLU C C 177.853 0.029 1 971 100 100 GLU CA C 55.068 0.162 1 972 100 100 GLU CB C 27.193 0.107 1 973 100 100 GLU CG C 33.802 0.187 1 974 100 100 GLU N N 121.611 0.065 1 975 101 101 GLY H H 8.782 0.005 1 976 101 101 GLY HA2 H 4.176 0.013 2 977 101 101 GLY HA3 H 3.843 0.011 2 978 101 101 GLY C C 174.246 0.022 1 979 101 101 GLY CA C 43.048 0.024 1 980 101 101 GLY N N 111.184 0.063 1 981 102 102 THR H H 7.692 0.005 1 982 102 102 THR HA H 4.675 0.007 1 983 102 102 THR HB H 4.313 0.015 1 984 102 102 THR HG2 H 1.157 0.004 1 985 102 102 THR C C 174.365 0.007 1 986 102 102 THR CA C 58.113 0.051 1 987 102 102 THR CB C 67.817 0.101 1 988 102 102 THR CG2 C 18.707 0.057 1 989 102 102 THR N N 111.702 0.031 1 990 103 103 THR H H 8.108 0.004 1 991 103 103 THR HA H 4.341 0.012 1 992 103 103 THR HB H 4.199 0.009 1 993 103 103 THR HG2 H 1.188 0.004 1 994 103 103 THR C C 173.877 0.021 1 995 103 103 THR CA C 60.022 0.051 1 996 103 103 THR CB C 66.732 0.068 1 997 103 103 THR CG2 C 19.242 0.000 1 998 103 103 THR N N 114.111 0.039 1 999 104 104 ASN H H 7.942 0.005 1 1000 104 104 ASN HA H 4.884 0.010 1 1001 104 104 ASN HB2 H 2.599 0.008 2 1002 104 104 ASN HB3 H 2.599 0.008 2 1003 104 104 ASN HD21 H 7.420 0.005 2 1004 104 104 ASN HD22 H 6.883 0.005 2 1005 104 104 ASN C C 174.888 0.033 1 1006 104 104 ASN CA C 50.047 0.062 1 1007 104 104 ASN CB C 37.948 0.055 1 1008 104 104 ASN N N 118.368 0.037 1 1009 104 104 ASN ND2 N 112.319 0.096 1 1010 105 105 CYS H H 8.622 0.002 1 1011 105 105 CYS HA H 5.069 0.010 1 1012 105 105 CYS HB2 H 3.357 0.006 2 1013 105 105 CYS HB3 H 2.512 0.006 2 1014 105 105 CYS C C 172.283 0.033 1 1015 105 105 CYS CA C 54.258 0.063 1 1016 105 105 CYS CB C 46.501 0.046 1 1017 105 105 CYS N N 119.096 0.027 1 1018 106 106 VAL H H 8.713 0.007 1 1019 106 106 VAL HA H 4.548 0.008 1 1020 106 106 VAL HB H 2.016 0.007 1 1021 106 106 VAL HG1 H 0.958 0.004 2 1022 106 106 VAL HG2 H 0.901 0.001 2 1023 106 106 VAL C C 175.114 0.011 1 1024 106 106 VAL CA C 58.243 0.064 1 1025 106 106 VAL CB C 32.522 0.055 1 1026 106 106 VAL CG1 C 18.717 0.119 2 1027 106 106 VAL CG2 C 17.783 0.098 2 1028 106 106 VAL N N 118.666 0.041 1 1029 107 107 ALA H H 8.887 0.002 1 1030 107 107 ALA HA H 4.267 0.014 1 1031 107 107 ALA HB H 1.415 0.010 1 1032 107 107 ALA C C 177.829 0.022 1 1033 107 107 ALA CA C 50.461 0.010 1 1034 107 107 ALA CB C 16.765 0.026 1 1035 107 107 ALA N N 129.905 0.022 1 1036 108 108 VAL H H 8.490 0.008 1 1037 108 108 VAL HA H 4.158 0.031 1 1038 108 108 VAL HB H 2.095 0.018 1 1039 108 108 VAL HG1 H 0.905 0.002 2 1040 108 108 VAL HG2 H 0.852 0.003 2 1041 108 108 VAL C C 175.721 0.035 1 1042 108 108 VAL CA C 59.756 0.049 1 1043 108 108 VAL CB C 30.083 0.222 1 1044 108 108 VAL CG1 C 19.272 0.048 2 1045 108 108 VAL CG2 C 17.642 0.079 2 1046 108 108 VAL N N 118.702 0.056 1 1047 109 109 ASP H H 8.400 0.005 1 1048 109 109 ASP HA H 4.669 0.018 1 1049 109 109 ASP HB2 H 2.684 0.014 2 1050 109 109 ASP HB3 H 2.628 0.004 2 1051 109 109 ASP C C 175.686 0.000 1 1052 109 109 ASP CA C 51.421 0.078 1 1053 109 109 ASP CB C 38.934 0.140 1 1054 109 109 ASP N N 122.907 0.147 1 1055 110 110 ASN H H 8.447 0.002 1 1056 110 110 ASN HA H 4.695 0.015 1 1057 110 110 ASN HB2 H 2.860 0.007 2 1058 110 110 ASN HB3 H 2.774 0.007 2 1059 110 110 ASN HD21 H 7.601 0.006 2 1060 110 110 ASN HD22 H 6.867 0.005 2 1061 110 110 ASN C C 175.265 0.045 1 1062 110 110 ASN CA C 50.653 0.065 1 1063 110 110 ASN CB C 36.375 0.071 1 1064 110 110 ASN N N 120.059 0.026 1 1065 110 110 ASN ND2 N 112.477 0.116 1 1066 111 111 ALA H H 8.360 0.004 1 1067 111 111 ALA HA H 4.297 0.012 1 1068 111 111 ALA HB H 1.417 0.003 1 1069 111 111 ALA C C 178.468 0.025 1 1070 111 111 ALA CA C 50.714 0.049 1 1071 111 111 ALA CB C 16.564 0.018 1 1072 111 111 ALA N N 124.606 0.052 1 1073 112 112 GLY H H 8.391 0.002 1 1074 112 112 GLY HA2 H 3.946 0.008 2 1075 112 112 GLY HA3 H 3.946 0.008 2 1076 112 112 GLY C C 174.321 0.021 1 1077 112 112 GLY CA C 43.021 0.039 1 1078 112 112 GLY N N 108.057 0.074 1 1079 113 113 ALA H H 8.126 0.003 1 1080 113 113 ALA HA H 4.329 0.009 1 1081 113 113 ALA HB H 1.416 0.007 1 1082 113 113 ALA C C 178.404 0.032 1 1083 113 113 ALA CA C 50.384 0.052 1 1084 113 113 ALA CB C 16.859 0.040 1 1085 113 113 ALA N N 123.908 0.025 1 1086 114 114 GLY H H 8.421 0.003 1 1087 114 114 GLY HA2 H 3.996 0.009 2 1088 114 114 GLY HA3 H 3.996 0.009 2 1089 114 114 GLY C C 174.440 0.002 1 1090 114 114 GLY CA C 42.913 0.027 1 1091 114 114 GLY N N 108.093 0.090 1 1092 115 115 THR H H 8.026 0.004 1 1093 115 115 THR HA H 4.322 0.006 1 1094 115 115 THR HB H 4.196 0.008 1 1095 115 115 THR HG2 H 1.176 0.006 1 1096 115 115 THR C C 174.402 0.044 1 1097 115 115 THR CA C 59.526 0.087 1 1098 115 115 THR CB C 67.518 0.034 1 1099 115 115 THR CG2 C 19.103 0.024 1 1100 115 115 THR N N 114.234 0.019 1 1101 116 116 LYS H H 8.362 0.009 1 1102 116 116 LYS HA H 4.350 0.006 1 1103 116 116 LYS HB2 H 1.833 0.009 2 1104 116 116 LYS HB3 H 1.749 0.004 2 1105 116 116 LYS HG2 H 1.415 0.004 2 1106 116 116 LYS HG3 H 1.415 0.004 2 1107 116 116 LYS HD2 H 1.664 0.003 2 1108 116 116 LYS HD3 H 1.664 0.003 2 1109 116 116 LYS HE2 H 2.974 0.002 2 1110 116 116 LYS HE3 H 2.974 0.002 2 1111 116 116 LYS C C 175.912 0.040 1 1112 116 116 LYS CA C 53.583 0.076 1 1113 116 116 LYS CB C 30.789 0.105 1 1114 116 116 LYS CG C 22.222 0.093 1 1115 116 116 LYS CD C 26.587 0.045 1 1116 116 116 LYS CE C 39.560 0.055 1 1117 116 116 LYS N N 124.603 0.042 1 1118 117 117 ALA H H 8.404 0.011 1 1119 117 117 ALA HA H 4.346 0.010 1 1120 117 117 ALA HB H 1.383 0.005 1 1121 117 117 ALA C C 176.703 0.029 1 1122 117 117 ALA CA C 50.036 0.032 1 1123 117 117 ALA CB C 16.812 0.022 1 1124 117 117 ALA N N 127.153 0.085 1 1125 118 118 GLU H H 7.947 0.005 1 1126 118 118 GLU HA H 4.113 0.022 1 1127 118 118 GLU HB2 H 2.040 0.019 2 1128 118 118 GLU HB3 H 1.868 0.009 2 1129 118 118 GLU HG2 H 2.185 0.039 2 1130 118 118 GLU HG3 H 2.185 0.039 2 1131 118 118 GLU C C 180.826 0.000 1 1132 118 118 GLU CA C 55.314 0.077 1 1133 118 118 GLU CB C 28.668 0.198 1 1134 118 118 GLU CG C 34.071 0.112 1 1135 118 118 GLU N N 125.310 0.213 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D 1H-1H NOESY' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCACB' '3D HBHA(CO)NH' '3D HN(CA)CO' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D 1H-13C NOESY aliphatic' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $15N13C_DewA $unlabelled_DewA $15N_DewA $15N13C_DewA_D2O stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name DewA _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 1 1 SER HA H 4.135 0.000 1 2 1 1 SER HB2 H 3.971 0.000 2 3 1 1 SER HB3 H 3.971 0.000 2 4 1 1 SER C C 169.877 0.011 1 5 1 1 SER CA C 55.005 0.022 1 6 1 1 SER CB C 60.928 0.013 1 7 2 2 LEU H H 8.567 0.001 1 8 2 2 LEU HA H 4.433 0.006 1 9 2 2 LEU HB2 H 1.600 0.010 2 10 2 2 LEU HB3 H 1.457 0.002 2 11 2 2 LEU HG H 1.465 0.009 1 12 2 2 LEU HD1 H 0.914 0.014 2 13 2 2 LEU HD2 H 0.898 0.007 2 14 2 2 LEU C C 175.323 0.000 1 15 2 2 LEU CA C 50.466 0.076 1 16 2 2 LEU CB C 40.488 0.078 1 17 2 2 LEU CG C 24.958 0.033 1 18 2 2 LEU CD1 C 22.578 0.001 2 19 2 2 LEU CD2 C 21.002 0.000 2 20 2 2 LEU N N 122.706 0.031 1 21 3 3 PRO HA H 4.557 0.012 1 22 3 3 PRO HB2 H 2.402 0.019 2 23 3 3 PRO HB3 H 2.154 0.010 2 24 3 3 PRO HG2 H 1.918 0.006 2 25 3 3 PRO HG3 H 1.820 0.004 2 26 3 3 PRO HD2 H 3.574 0.004 2 27 3 3 PRO HD3 H 3.473 0.003 2 28 3 3 PRO C C 176.390 0.000 1 29 3 3 PRO CA C 60.266 0.048 1 30 3 3 PRO CB C 32.294 0.064 1 31 3 3 PRO CG C 22.352 0.094 1 32 3 3 PRO CD C 47.876 0.096 1 33 3 3 PRO N N 135.718 0.007 1 34 4 4 ALA H H 8.776 0.002 1 35 4 4 ALA HA H 4.355 0.006 1 36 4 4 ALA HB H 1.453 0.004 1 37 4 4 ALA C C 178.102 0.019 1 38 4 4 ALA CA C 50.783 0.027 1 39 4 4 ALA CB C 16.610 0.043 1 40 4 4 ALA N N 125.748 0.032 1 41 5 5 SER H H 8.298 0.003 1 42 5 5 SER HA H 4.393 0.009 1 43 5 5 SER HB2 H 3.856 0.010 2 44 5 5 SER HB3 H 3.856 0.010 2 45 5 5 SER C C 174.409 0.020 1 46 5 5 SER CA C 55.844 0.009 1 47 5 5 SER CB C 61.394 0.009 1 48 5 5 SER N N 114.610 0.039 1 49 6 6 ALA H H 8.264 0.003 1 50 6 6 ALA HA H 4.330 0.010 1 51 6 6 ALA HB H 1.366 0.003 1 52 6 6 ALA C C 177.661 0.086 1 53 6 6 ALA CA C 50.131 0.097 1 54 6 6 ALA CB C 16.740 0.010 1 55 6 6 ALA N N 126.101 0.117 1 56 7 7 ALA H H 8.147 0.002 1 57 7 7 ALA HA H 4.237 0.010 1 58 7 7 ALA HB H 1.372 0.004 1 59 7 7 ALA C C 178.266 0.018 1 60 7 7 ALA CA C 50.564 0.048 1 61 7 7 ALA CB C 16.498 0.030 1 62 7 7 ALA N N 123.233 0.038 1 63 8 8 LYS H H 8.149 0.002 1 64 8 8 LYS HA H 4.202 0.043 1 65 8 8 LYS HB2 H 1.812 0.009 2 66 8 8 LYS HB3 H 1.726 0.008 2 67 8 8 LYS HD2 H 1.448 0.008 2 68 8 8 LYS HD3 H 1.448 0.008 2 69 8 8 LYS C C 176.617 0.029 1 70 8 8 LYS CA C 54.346 0.072 1 71 8 8 LYS CB C 30.254 0.043 1 72 8 8 LYS CG C 22.231 0.039 1 73 8 8 LYS CD C 26.578 0.000 1 74 8 8 LYS CE C 39.627 0.000 1 75 8 8 LYS N N 119.613 0.030 1 76 9 9 ASN H H 8.301 0.002 1 77 9 9 ASN HA H 4.675 0.009 1 78 9 9 ASN HB2 H 2.860 0.008 2 79 9 9 ASN HB3 H 2.764 0.008 2 80 9 9 ASN HD21 H 7.604 0.000 2 81 9 9 ASN HD22 H 6.872 0.001 2 82 9 9 ASN C C 175.147 0.020 1 83 9 9 ASN CA C 50.779 0.053 1 84 9 9 ASN CB C 36.356 0.057 1 85 9 9 ASN N N 119.112 0.006 1 86 9 9 ASN ND2 N 111.915 0.125 1 87 10 10 ALA H H 8.193 0.001 1 88 10 10 ALA HA H 4.271 0.007 1 89 10 10 ALA HB H 1.406 0.009 1 90 10 10 ALA C C 177.904 0.082 1 91 10 10 ALA CA C 50.447 0.012 1 92 10 10 ALA CB C 16.765 0.035 1 93 10 10 ALA N N 124.765 0.001 1 94 11 11 LYS H H 8.215 0.003 1 95 11 11 LYS HA H 4.152 0.048 1 96 11 11 LYS HB2 H 1.763 0.024 2 97 11 11 LYS HB3 H 1.706 0.004 2 98 11 11 LYS HG2 H 1.395 0.001 2 99 11 11 LYS HG3 H 1.321 0.001 2 100 11 11 LYS HD2 H 1.611 0.003 2 101 11 11 LYS HD3 H 1.611 0.003 2 102 11 11 LYS HE2 H 2.938 0.001 2 103 11 11 LYS HE3 H 2.938 0.001 2 104 11 11 LYS C C 176.617 0.006 1 105 11 11 LYS CA C 54.214 0.070 1 106 11 11 LYS CB C 30.227 0.069 1 107 11 11 LYS CG C 22.291 0.033 1 108 11 11 LYS CD C 26.253 0.245 1 109 11 11 LYS CE C 39.548 0.043 1 110 11 11 LYS N N 120.063 0.112 1 111 12 12 LEU H H 8.080 0.002 1 112 12 12 LEU HA H 4.337 0.007 1 113 12 12 LEU HB2 H 1.626 0.007 2 114 12 12 LEU HB3 H 1.626 0.007 2 115 12 12 LEU C C 177.321 0.009 1 116 12 12 LEU CA C 52.783 0.025 1 117 12 12 LEU CB C 40.003 0.023 1 118 12 12 LEU CG C 24.371 0.000 1 119 12 12 LEU CD1 C 22.446 0.000 2 120 12 12 LEU CD2 C 20.991 0.000 2 121 12 12 LEU N N 123.024 0.026 1 122 13 13 ALA H H 8.288 0.001 1 123 13 13 ALA HA H 4.364 0.010 1 124 13 13 ALA HB H 1.412 0.013 1 125 13 13 ALA C C 178.012 0.050 1 126 13 13 ALA CA C 50.307 0.031 1 127 13 13 ALA CB C 16.752 0.011 1 128 13 13 ALA N N 124.960 0.001 1 129 14 14 THR H H 8.031 0.002 1 130 14 14 THR HA H 4.351 0.018 1 131 14 14 THR HB H 4.290 0.007 1 132 14 14 THR HG2 H 1.207 0.019 1 133 14 14 THR C C 174.709 0.032 1 134 14 14 THR CA C 59.447 0.039 1 135 14 14 THR CB C 67.282 0.059 1 136 14 14 THR CG2 C 19.159 0.031 1 137 14 14 THR N N 112.719 0.028 1 138 15 15 SER H H 8.230 0.002 1 139 15 15 SER HA H 4.451 0.008 1 140 15 15 SER HB2 H 3.951 0.008 2 141 15 15 SER HB3 H 3.859 0.008 2 142 15 15 SER C C 174.638 0.010 1 143 15 15 SER CA C 56.073 0.032 1 144 15 15 SER CB C 61.436 0.051 1 145 15 15 SER N N 117.766 0.086 1 146 16 16 ALA H H 8.333 0.024 1 147 16 16 ALA HA H 4.296 0.030 1 148 16 16 ALA HB H 1.353 0.002 1 149 16 16 ALA C C 177.763 0.000 1 150 16 16 ALA CA C 50.529 0.071 1 151 16 16 ALA CB C 16.593 0.047 1 152 16 16 ALA N N 126.310 0.089 1 153 19 19 ALA HA H 4.288 0.010 1 154 19 19 ALA HB H 1.365 0.001 1 155 19 19 ALA C C 177.458 0.000 1 156 19 19 ALA CA C 50.231 0.007 1 157 19 19 ALA CB C 16.827 0.011 1 158 20 20 LYS H H 8.142 0.002 1 159 20 20 LYS HA H 4.271 0.008 1 160 20 20 LYS HB2 H 1.851 0.008 2 161 20 20 LYS HB3 H 1.765 0.008 2 162 20 20 LYS HG2 H 1.666 0.000 2 163 20 20 LYS HG3 H 1.666 0.000 2 164 20 20 LYS HD2 H 1.501 0.000 2 165 20 20 LYS HD3 H 1.374 0.004 2 166 20 20 LYS HE2 H 2.977 0.000 2 167 20 20 LYS HE3 H 2.977 0.000 2 168 20 20 LYS C C 176.733 0.000 1 169 20 20 LYS CA C 54.024 0.105 1 170 20 20 LYS CB C 30.479 0.024 1 171 20 20 LYS CG C 22.263 0.000 1 172 20 20 LYS CD C 26.299 0.343 1 173 20 20 LYS N N 121.022 0.004 1 174 21 21 GLN H H 8.325 0.001 1 175 21 21 GLN HA H 4.320 0.029 1 176 21 21 GLN HB2 H 2.099 0.021 2 177 21 21 GLN HB3 H 1.988 0.016 2 178 21 21 GLN HG2 H 2.354 0.001 2 179 21 21 GLN HG3 H 2.354 0.001 2 180 21 21 GLN C C 175.844 0.030 1 181 21 21 GLN CA C 53.437 0.050 1 182 21 21 GLN CB C 27.021 0.098 1 183 21 21 GLN CG C 31.296 0.020 1 184 21 21 GLN N N 121.824 0.032 1 185 22 22 ALA H H 8.348 0.003 1 186 22 22 ALA HA H 4.308 0.008 1 187 22 22 ALA HB H 1.389 0.000 1 188 22 22 ALA C C 177.736 0.002 1 189 22 22 ALA CA C 50.187 0.029 1 190 22 22 ALA CB C 16.795 0.027 1 191 22 22 ALA N N 125.369 0.004 1 192 23 23 GLU H H 8.392 0.002 1 193 23 23 GLU HA H 4.308 0.008 1 194 23 23 GLU HB2 H 2.073 0.009 2 195 23 23 GLU HB3 H 1.952 0.024 2 196 23 23 GLU HG2 H 2.258 0.005 2 197 23 23 GLU HG3 H 2.258 0.005 2 198 23 23 GLU C C 177.058 0.016 1 199 23 23 GLU CA C 54.284 0.152 1 200 23 23 GLU CB C 27.807 0.122 1 201 23 23 GLU CG C 33.690 0.256 1 202 23 23 GLU N N 120.580 0.022 1 203 24 24 GLY H H 8.448 0.002 1 204 24 24 GLY HA2 H 4.048 0.012 2 205 24 24 GLY HA3 H 4.048 0.012 2 206 24 24 GLY C C 174.334 0.034 1 207 24 24 GLY CA C 43.046 0.029 1 208 24 24 GLY N N 110.021 0.020 1 209 25 25 THR H H 8.076 0.008 1 210 25 25 THR HA H 4.454 0.009 1 211 25 25 THR HB H 4.268 0.006 1 212 25 25 THR HG2 H 1.167 0.001 1 213 25 25 THR C C 174.747 0.000 1 214 25 25 THR CA C 59.350 0.072 1 215 25 25 THR CB C 67.527 0.048 1 216 25 25 THR CG2 C 19.215 0.018 1 217 25 25 THR N N 113.551 0.034 1 218 26 26 THR H H 8.213 0.008 1 219 26 26 THR HA H 4.414 0.013 1 220 26 26 THR HB H 4.181 0.033 1 221 26 26 THR HG2 H 1.204 0.004 1 222 26 26 THR C C 174.133 0.004 1 223 26 26 THR CA C 59.456 0.129 1 224 26 26 THR CB C 67.545 0.181 1 225 26 26 THR CG2 C 19.163 0.009 1 226 26 26 THR N N 116.163 0.183 1 227 27 27 CYS HA H 4.732 0.005 1 228 27 27 CYS HB3 H 2.830 0.000 2 229 27 27 CYS C C 175.025 0.000 1 230 27 27 CYS CA C 50.851 0.080 1 231 27 27 CYS CB C 36.545 0.050 1 232 28 28 ASN H H 8.465 0.005 1 233 28 28 ASN HA H 4.739 0.017 1 234 28 28 ASN HB2 H 2.831 0.009 2 235 28 28 ASN HB3 H 2.831 0.009 2 236 28 28 ASN C C 175.601 0.000 1 237 28 28 ASN CA C 53.185 0.007 1 238 28 28 ASN CB C 26.448 0.000 1 239 28 28 ASN N N 119.766 0.207 1 240 29 29 VAL HA H 3.844 0.006 1 241 29 29 VAL HB H 2.111 0.004 1 242 29 29 VAL HG1 H 1.013 0.006 2 243 29 29 VAL HG2 H 0.990 0.004 2 244 29 29 VAL CA C 62.420 0.128 1 245 29 29 VAL CB C 29.437 0.074 1 246 29 29 VAL CG1 C 19.002 0.140 2 247 29 29 VAL CG2 C 18.413 0.037 2 248 29 29 VAL N N 121.799 0.000 1 249 30 30 GLY HA2 H 4.111 0.000 2 250 30 30 GLY HA3 H 4.111 0.000 2 251 31 31 SER HA H 4.689 0.001 1 252 31 31 SER HB2 H 4.005 0.001 2 253 31 31 SER HB3 H 4.005 0.001 2 254 32 32 ILE H H 8.236 0.005 1 255 32 32 ILE HA H 4.734 0.009 1 256 32 32 ILE HB H 1.905 0.006 1 257 32 32 ILE HG12 H 1.625 0.005 2 258 32 32 ILE HG13 H 1.205 0.006 2 259 32 32 ILE HG2 H 0.999 0.003 1 260 32 32 ILE HD1 H 0.723 0.005 1 261 32 32 ILE C C 174.848 0.016 1 262 32 32 ILE CA C 58.822 0.050 1 263 32 32 ILE CB C 35.534 0.101 1 264 32 32 ILE CG1 C 26.302 0.071 1 265 32 32 ILE CG2 C 16.312 0.058 1 266 32 32 ILE CD1 C 10.687 0.122 1 267 32 32 ILE N N 115.138 0.146 1 268 33 33 ALA H H 9.172 0.005 1 269 33 33 ALA HA H 5.020 0.007 1 270 33 33 ALA HB H 1.127 0.009 1 271 33 33 ALA C C 175.086 0.034 1 272 33 33 ALA CA C 48.193 0.057 1 273 33 33 ALA CB C 23.820 0.043 1 274 33 33 ALA N N 129.673 0.031 1 275 34 34 CYS H H 7.933 0.007 1 276 34 34 CYS HA H 5.970 0.004 1 277 34 34 CYS HB2 H 3.785 0.009 2 278 34 34 CYS HB3 H 2.380 0.008 2 279 34 34 CYS C C 175.639 0.070 1 280 34 34 CYS CA C 48.542 0.028 1 281 34 34 CYS CB C 35.081 0.093 1 282 34 34 CYS N N 113.858 0.130 1 283 35 35 CYS H H 9.428 0.006 1 284 35 35 CYS HA H 6.022 0.009 1 285 35 35 CYS HB2 H 2.919 0.007 2 286 35 35 CYS HB3 H 2.607 0.005 2 287 35 35 CYS C C 173.312 0.003 1 288 35 35 CYS CA C 52.285 0.041 1 289 35 35 CYS CB C 47.488 0.061 1 290 35 35 CYS N N 118.605 0.023 1 291 36 36 ASN H H 8.357 0.015 1 292 36 36 ASN HA H 5.378 0.006 1 293 36 36 ASN HB2 H 2.724 0.010 2 294 36 36 ASN HB3 H 2.531 0.009 2 295 36 36 ASN C C 175.100 0.001 1 296 36 36 ASN CA C 47.801 0.071 1 297 36 36 ASN CB C 38.728 0.045 1 298 36 36 ASN N N 121.706 0.095 1 299 37 37 SER H H 8.928 0.022 1 300 37 37 SER HA H 4.381 0.009 1 301 37 37 SER HB2 H 4.249 0.008 2 302 37 37 SER HB3 H 3.912 0.015 2 303 37 37 SER C C 173.315 0.000 1 304 37 37 SER CA C 54.740 0.068 1 305 37 37 SER CB C 59.663 0.124 1 306 37 37 SER N N 116.566 0.042 1 307 38 38 PRO HA H 4.433 0.009 1 308 38 38 PRO HB2 H 2.302 0.010 2 309 38 38 PRO HB3 H 1.953 0.008 2 310 38 38 PRO HG2 H 1.907 0.005 2 311 38 38 PRO HG3 H 1.907 0.005 2 312 38 38 PRO HD2 H 3.802 0.019 2 313 38 38 PRO HD3 H 3.706 0.003 2 314 38 38 PRO C C 176.713 0.005 1 315 38 38 PRO CA C 61.100 0.088 1 316 38 38 PRO CB C 29.691 0.109 1 317 38 38 PRO CG C 24.920 0.001 1 318 38 38 PRO CD C 48.444 0.067 1 319 38 38 PRO N N 138.838 0.000 1 320 39 39 ALA H H 8.293 0.002 1 321 39 39 ALA HA H 4.259 0.008 1 322 39 39 ALA HB H 1.377 0.010 1 323 39 39 ALA C C 177.762 0.022 1 324 39 39 ALA CA C 50.277 0.026 1 325 39 39 ALA CB C 16.795 0.057 1 326 39 39 ALA N N 123.552 0.068 1 327 40 40 GLU H H 8.299 0.006 1 328 40 40 GLU HA H 4.385 0.012 1 329 40 40 GLU HB2 H 2.088 0.023 2 330 40 40 GLU HB3 H 1.966 0.011 2 331 40 40 GLU HG3 H 2.270 0.008 2 332 40 40 GLU C C 176.626 0.000 1 333 40 40 GLU CA C 54.014 0.045 1 334 40 40 GLU CB C 27.607 0.020 1 335 40 40 GLU CG C 32.998 0.003 1 336 40 40 GLU N N 119.414 0.019 1 337 41 41 THR H H 8.151 0.005 1 338 41 41 THR HA H 4.350 0.008 1 339 41 41 THR HB H 4.204 0.009 1 340 41 41 THR HG2 H 1.191 0.000 1 341 41 41 THR CA C 59.442 0.037 1 342 41 41 THR CB C 67.451 0.057 1 343 41 41 THR CG2 C 19.137 0.000 1 344 41 41 THR N N 114.842 0.017 1 345 42 42 ASN H H 8.446 0.002 1 346 42 42 ASN HA H 4.584 0.002 1 347 42 42 ASN HB2 H 2.831 0.005 2 348 42 42 ASN HB3 H 2.752 0.004 2 349 42 42 ASN CA C 51.482 0.157 1 350 42 42 ASN CB C 36.563 0.179 1 351 42 42 ASN N N 120.638 0.062 1 352 43 43 ASN H H 8.446 0.004 1 353 43 43 ASN HA H 4.715 0.010 1 354 43 43 ASN HB2 H 2.863 0.010 2 355 43 43 ASN HB3 H 2.754 0.008 2 356 43 43 ASN C C 175.312 0.002 1 357 43 43 ASN CA C 51.307 0.088 1 358 43 43 ASN CB C 36.410 0.031 1 359 43 43 ASN N N 119.666 0.008 1 360 44 44 ASP H H 8.381 0.001 1 361 44 44 ASP HA H 4.569 0.014 1 362 44 44 ASP HB2 H 2.721 0.014 2 363 44 44 ASP HB3 H 2.664 0.002 2 364 44 44 ASP C C 177.000 0.000 1 365 44 44 ASP CA C 52.738 0.124 1 366 44 44 ASP CB C 38.271 0.064 1 367 44 44 ASP N N 120.844 0.000 1 368 45 45 SER H H 8.288 0.002 1 369 45 45 SER HA H 4.380 0.011 1 370 45 45 SER HB2 H 3.922 0.010 2 371 45 45 SER HB3 H 3.922 0.010 2 372 45 45 SER C C 175.354 0.041 1 373 45 45 SER CA C 57.169 0.058 1 374 45 45 SER CB C 61.128 0.051 1 375 45 45 SER N N 116.424 0.009 1 376 46 46 LEU H H 8.128 0.002 1 377 46 46 LEU HA H 4.297 0.009 1 378 46 46 LEU HB2 H 1.718 0.006 2 379 46 46 LEU HB3 H 1.633 0.007 2 380 46 46 LEU HG H 1.672 0.002 1 381 46 46 LEU HD1 H 0.917 0.005 2 382 46 46 LEU HD2 H 0.912 0.025 2 383 46 46 LEU C C 177.881 0.019 1 384 46 46 LEU CA C 53.788 0.058 1 385 46 46 LEU CB C 39.638 0.030 1 386 46 46 LEU CG C 24.608 0.066 1 387 46 46 LEU CD1 C 22.630 0.059 2 388 46 46 LEU CD2 C 21.057 0.047 2 389 46 46 LEU N N 123.555 0.065 1 390 47 47 LEU H H 8.052 0.002 1 391 47 47 LEU HA H 4.271 0.019 1 392 47 47 LEU HB2 H 1.730 0.026 2 393 47 47 LEU HB3 H 1.646 0.041 2 394 47 47 LEU HG H 1.771 0.001 1 395 47 47 LEU HD1 H 0.984 0.006 2 396 47 47 LEU HD2 H 0.992 0.001 2 397 47 47 LEU C C 178.056 0.066 1 398 47 47 LEU CA C 53.449 0.063 1 399 47 47 LEU CB C 39.492 0.062 1 400 47 47 LEU CG C 24.213 0.127 1 401 47 47 LEU CD1 C 22.621 0.051 2 402 47 47 LEU CD2 C 20.592 0.132 2 403 47 47 LEU N N 120.640 0.014 1 404 48 48 SER H H 8.080 0.002 1 405 48 48 SER HA H 4.342 0.007 1 406 48 48 SER HB2 H 3.920 0.008 2 407 48 48 SER HB3 H 3.920 0.008 2 408 48 48 SER C C 175.757 0.070 1 409 48 48 SER CA C 57.134 0.019 1 410 48 48 SER CB C 61.167 0.061 1 411 48 48 SER N N 114.933 0.046 1 412 49 49 GLY H H 8.250 0.003 1 413 49 49 GLY HA2 H 3.984 0.010 2 414 49 49 GLY HA3 H 3.984 0.010 2 415 49 49 GLY C C 174.676 0.019 1 416 49 49 GLY CA C 43.314 0.067 1 417 49 49 GLY N N 110.398 0.018 1 418 50 50 LEU H H 7.978 0.004 1 419 50 50 LEU HA H 4.317 0.009 1 420 50 50 LEU HB2 H 1.698 0.019 2 421 50 50 LEU HB3 H 1.578 0.007 2 422 50 50 LEU C C 177.786 0.106 1 423 50 50 LEU CA C 53.408 0.054 1 424 50 50 LEU CB C 39.903 0.043 1 425 50 50 LEU CG C 24.488 0.000 1 426 50 50 LEU CD1 C 22.517 0.000 2 427 50 50 LEU CD2 C 20.897 0.000 2 428 50 50 LEU N N 121.609 0.001 1 429 51 51 LEU H H 8.166 0.003 1 430 51 51 LEU HA H 4.332 0.009 1 431 51 51 LEU HB2 H 1.728 0.009 2 432 51 51 LEU HB3 H 1.599 0.009 2 433 51 51 LEU C C 178.330 0.012 1 434 51 51 LEU CA C 53.160 0.104 1 435 51 51 LEU CB C 39.641 0.058 1 436 51 51 LEU CG C 24.474 0.000 1 437 51 51 LEU CD1 C 22.569 0.000 2 438 51 51 LEU CD2 C 20.975 0.000 2 439 51 51 LEU N N 121.250 0.000 1 440 52 52 GLY H H 8.250 0.002 1 441 52 52 GLY HA2 H 3.954 0.047 2 442 52 52 GLY HA3 H 3.954 0.047 2 443 52 52 GLY C C 174.324 0.000 1 444 52 52 GLY CA C 43.271 0.041 1 445 52 52 GLY N N 109.031 0.004 1 446 53 53 ALA HA H 4.290 0.009 1 447 53 53 ALA HB H 1.421 0.001 1 448 53 53 ALA C C 178.405 0.000 1 449 53 53 ALA CA C 50.683 0.009 1 450 53 53 ALA CB C 16.559 0.033 1 451 54 54 GLY H H 8.346 0.002 1 452 54 54 GLY HA2 H 3.937 0.012 2 453 54 54 GLY HA3 H 3.937 0.012 2 454 54 54 GLY C C 174.354 0.012 1 455 54 54 GLY CA C 43.154 0.068 1 456 54 54 GLY N N 107.879 0.066 1 457 55 55 LEU H H 8.047 0.002 1 458 55 55 LEU HA H 4.373 0.008 1 459 55 55 LEU HB2 H 1.656 0.008 2 460 55 55 LEU HB3 H 1.656 0.008 2 461 55 55 LEU C C 177.984 0.000 1 462 55 55 LEU CA C 52.998 0.000 1 463 55 55 LEU CB C 39.889 0.000 1 464 55 55 LEU N N 121.352 0.007 1 465 56 56 LEU HA H 4.352 0.008 1 466 56 56 LEU HB2 H 1.647 0.008 2 467 56 56 LEU HB3 H 1.647 0.008 2 468 56 56 LEU C C 177.258 0.000 1 469 56 56 LEU CA C 52.939 0.031 1 470 56 56 LEU CB C 39.629 0.042 1 471 56 56 LEU CG C 24.313 0.000 1 472 56 56 LEU CD1 C 22.719 0.000 2 473 56 56 LEU CD2 C 21.006 0.000 2 474 57 57 ASN H H 8.279 0.002 1 475 57 57 ASN HA H 4.669 0.007 1 476 57 57 ASN HB2 H 2.815 0.013 2 477 57 57 ASN HB3 H 2.815 0.013 2 478 57 57 ASN C C 175.858 0.055 1 479 57 57 ASN CA C 51.264 0.033 1 480 57 57 ASN CB C 36.409 0.081 1 481 57 57 ASN N N 118.666 0.006 1 482 58 58 GLY H H 8.310 0.001 1 483 58 58 GLY HA2 H 3.945 0.007 2 484 58 58 GLY HA3 H 3.945 0.007 2 485 58 58 GLY C C 174.371 0.000 1 486 58 58 GLY CA C 43.274 0.021 1 487 58 58 GLY N N 108.758 0.021 1 488 59 59 LEU H H 7.942 0.005 1 489 59 59 LEU HA H 4.378 0.046 1 490 59 59 LEU HB2 H 1.629 0.008 2 491 59 59 LEU HB3 H 1.695 0.007 2 492 59 59 LEU C C 177.587 0.000 1 493 59 59 LEU CA C 52.978 0.091 1 494 59 59 LEU CB C 39.931 0.043 1 495 59 59 LEU CG C 24.418 0.000 1 496 59 59 LEU CD1 C 22.662 0.000 2 497 59 59 LEU CD2 C 20.865 0.000 2 498 59 59 LEU N N 121.120 0.000 1 499 60 60 SER H H 8.267 0.003 1 500 60 60 SER HA H 4.459 0.009 1 501 60 60 SER HB2 H 3.892 0.008 2 502 60 60 SER HB3 H 3.892 0.008 2 503 60 60 SER C C 175.029 0.000 1 504 60 60 SER CA C 56.137 0.026 1 505 60 60 SER CB C 61.512 0.036 1 506 60 60 SER N N 115.825 0.013 1 507 61 61 GLY H H 8.371 0.001 1 508 61 61 GLY HA2 H 3.999 0.008 2 509 61 61 GLY HA3 H 3.999 0.008 2 510 61 61 GLY C C 173.988 0.011 1 511 61 61 GLY CA C 43.072 0.020 1 512 61 61 GLY N N 110.466 0.005 1 513 62 62 ASN H H 8.352 0.001 1 514 62 62 ASN HA H 4.820 0.008 1 515 62 62 ASN HB2 H 2.879 0.017 2 516 62 62 ASN HB3 H 2.779 0.008 2 517 62 62 ASN HD21 H 7.629 0.000 2 518 62 62 ASN HD22 H 6.859 0.002 2 519 62 62 ASN C C 175.741 0.011 1 520 62 62 ASN CA C 50.784 0.061 1 521 62 62 ASN CB C 36.510 0.063 1 522 62 62 ASN N N 118.930 0.000 1 523 62 62 ASN ND2 N 111.311 0.050 1 524 63 63 THR H H 8.201 0.002 1 525 63 63 THR HA H 4.346 0.007 1 526 63 63 THR HG2 H 1.198 0.001 1 527 63 63 THR C C 175.193 0.094 1 528 63 63 THR CA C 59.803 0.020 1 529 63 63 THR CB C 67.242 0.072 1 530 63 63 THR CG2 C 19.161 0.000 1 531 63 63 THR N N 113.920 0.016 1 532 64 64 GLY H H 8.459 0.002 1 533 64 64 GLY HA2 H 4.013 0.008 2 534 64 64 GLY HA3 H 4.013 0.008 2 535 64 64 GLY C C 174.481 0.011 1 536 64 64 GLY CA C 43.133 0.042 1 537 64 64 GLY N N 111.048 0.031 1 538 65 65 SER H H 8.199 0.002 1 539 65 65 SER HA H 4.429 0.034 1 540 65 65 SER HB2 H 3.908 0.002 2 541 65 65 SER HB3 H 3.908 0.002 2 542 65 65 SER C C 174.550 0.009 1 543 65 65 SER CA C 56.028 0.046 1 544 65 65 SER CB C 61.440 0.142 1 545 65 65 SER N N 115.946 0.011 1 546 66 66 ALA H H 8.213 0.001 1 547 66 66 ALA HA H 4.357 0.000 1 548 66 66 ALA HB H 1.280 0.000 1 549 66 66 ALA C C 177.797 0.021 1 550 66 66 ALA CA C 50.351 0.078 1 551 66 66 ALA CB C 16.666 0.131 1 552 66 66 ALA N N 126.109 0.038 1 553 67 67 CYS H H 7.945 0.003 1 554 67 67 CYS HA H 4.611 0.037 1 555 67 67 CYS HB2 H 3.170 0.030 2 556 67 67 CYS HB3 H 3.019 0.015 2 557 67 67 CYS C C 175.873 0.000 1 558 67 67 CYS CA C 55.286 0.062 1 559 67 67 CYS CB C 37.047 0.134 1 560 67 67 CYS N N 118.546 0.076 1 561 68 68 ALA H H 8.040 0.002 1 562 68 68 ALA HA H 4.300 0.010 1 563 68 68 ALA HB H 1.405 0.007 1 564 68 68 ALA C C 177.688 0.000 1 565 68 68 ALA CA C 50.297 0.024 1 566 68 68 ALA CB C 16.833 0.044 1 567 68 68 ALA N N 124.809 0.128 1 568 69 69 LYS H H 8.463 0.002 1 569 69 69 LYS C C 177.279 0.000 1 570 69 69 LYS N N 120.838 0.047 1 571 70 70 ALA H H 8.366 0.004 1 572 70 70 ALA HA H 3.799 0.013 1 573 70 70 ALA HB H 1.215 0.008 1 574 70 70 ALA CA C 53.526 0.064 1 575 70 70 ALA CB C 16.200 0.050 1 576 70 70 ALA N N 124.172 0.000 1 577 71 71 SER H H 8.656 0.006 1 578 71 71 SER HA H 4.166 0.011 1 579 71 71 SER HB2 H 3.903 0.015 2 580 71 71 SER HB3 H 3.903 0.015 2 581 71 71 SER C C 176.883 0.000 1 582 71 71 SER CA C 58.404 0.048 1 583 71 71 SER CB C 59.350 0.173 1 584 71 71 SER N N 109.573 0.045 1 585 72 72 LEU H H 7.006 0.003 1 586 72 72 LEU HA H 4.293 0.006 1 587 72 72 LEU HB2 H 1.859 0.005 2 588 72 72 LEU HB3 H 1.640 0.005 2 589 72 72 LEU HG H 1.594 0.002 1 590 72 72 LEU HD1 H 0.937 0.003 2 591 72 72 LEU HD2 H 0.987 0.005 2 592 72 72 LEU C C 178.740 0.020 1 593 72 72 LEU CA C 54.809 0.019 1 594 72 72 LEU CB C 40.166 0.091 1 595 72 72 LEU CG C 24.753 0.120 1 596 72 72 LEU CD1 C 23.203 0.106 2 597 72 72 LEU CD2 C 21.613 0.111 2 598 72 72 LEU N N 125.089 0.038 1 599 73 73 ILE H H 8.070 0.005 1 600 73 73 ILE HA H 3.248 0.007 1 601 73 73 ILE HB H 1.915 0.012 1 602 73 73 ILE HG12 H 1.728 0.002 2 603 73 73 ILE HG13 H 0.806 0.003 2 604 73 73 ILE HG2 H 0.708 0.003 1 605 73 73 ILE HD1 H 0.686 0.004 1 606 73 73 ILE C C 179.135 0.025 1 607 73 73 ILE CA C 64.287 0.043 1 608 73 73 ILE CB C 34.850 0.081 1 609 73 73 ILE CG1 C 27.814 0.074 1 610 73 73 ILE CG2 C 14.128 0.080 1 611 73 73 ILE CD1 C 12.545 0.053 1 612 73 73 ILE N N 120.677 0.020 1 613 74 74 ASP H H 8.102 0.003 1 614 74 74 ASP HA H 4.438 0.012 1 615 74 74 ASP HB2 H 2.714 0.009 2 616 74 74 ASP HB3 H 2.544 0.013 2 617 74 74 ASP C C 178.408 0.033 1 618 74 74 ASP CA C 54.314 0.067 1 619 74 74 ASP CB C 38.328 0.031 1 620 74 74 ASP N N 118.007 0.057 1 621 75 75 GLN H H 7.936 0.003 1 622 75 75 GLN HA H 4.082 0.009 1 623 75 75 GLN HB2 H 2.270 0.009 2 624 75 75 GLN HB3 H 2.074 0.007 2 625 75 75 GLN HG2 H 2.486 0.004 2 626 75 75 GLN HG3 H 2.330 0.005 2 627 75 75 GLN HE21 H 7.387 0.003 2 628 75 75 GLN HE22 H 6.724 0.004 2 629 75 75 GLN C C 177.740 0.011 1 630 75 75 GLN CA C 56.411 0.040 1 631 75 75 GLN CB C 27.093 0.037 1 632 75 75 GLN CG C 31.198 0.078 1 633 75 75 GLN N N 119.900 0.024 1 634 75 75 GLN NE2 N 110.243 0.174 1 635 76 76 LEU H H 8.347 0.006 1 636 76 76 LEU HA H 4.377 0.008 1 637 76 76 LEU HB2 H 1.637 0.004 2 638 76 76 LEU HB3 H 1.530 0.006 2 639 76 76 LEU HG H 1.711 0.002 1 640 76 76 LEU HD1 H 0.805 0.004 2 641 76 76 LEU HD2 H 0.785 0.003 2 642 76 76 LEU C C 176.875 0.029 1 643 76 76 LEU CA C 52.010 0.099 1 644 76 76 LEU CB C 40.003 0.044 1 645 76 76 LEU CG C 24.610 0.045 1 646 76 76 LEU CD1 C 23.280 0.115 2 647 76 76 LEU CD2 C 20.213 0.061 2 648 76 76 LEU N N 114.404 0.091 1 649 77 77 GLY H H 7.790 0.006 1 650 77 77 GLY HA2 H 3.945 0.016 2 651 77 77 GLY HA3 H 3.945 0.016 2 652 77 77 GLY C C 176.543 0.035 1 653 77 77 GLY CA C 44.626 0.115 1 654 77 77 GLY N N 109.693 0.039 1 655 78 78 LEU H H 7.585 0.004 1 656 78 78 LEU HA H 4.572 0.008 1 657 78 78 LEU HB2 H 1.842 0.003 2 658 78 78 LEU HB3 H 1.281 0.004 2 659 78 78 LEU HG H 1.576 0.003 1 660 78 78 LEU HD1 H 0.623 0.004 2 661 78 78 LEU HD2 H 0.646 0.004 2 662 78 78 LEU C C 176.543 0.011 1 663 78 78 LEU CA C 50.300 0.096 1 664 78 78 LEU CB C 37.129 0.047 1 665 78 78 LEU CG C 23.583 0.037 1 666 78 78 LEU CD1 C 23.163 0.097 2 667 78 78 LEU CD2 C 20.573 0.039 2 668 78 78 LEU N N 119.747 0.021 1 669 79 79 LEU H H 8.034 0.002 1 670 79 79 LEU HA H 3.865 0.005 1 671 79 79 LEU HB2 H 1.743 0.013 2 672 79 79 LEU HB3 H 1.625 0.005 2 673 79 79 LEU HG H 1.623 0.003 1 674 79 79 LEU HD1 H 0.955 0.003 2 675 79 79 LEU HD2 H 0.824 0.006 2 676 79 79 LEU C C 179.049 0.045 1 677 79 79 LEU CA C 54.568 0.038 1 678 79 79 LEU CB C 39.004 0.035 1 679 79 79 LEU CG C 24.856 0.011 1 680 79 79 LEU CD1 C 22.611 0.000 2 681 79 79 LEU CD2 C 20.301 0.040 2 682 79 79 LEU N N 122.111 0.039 1 683 80 80 ALA H H 8.877 0.007 1 684 80 80 ALA HA H 4.226 0.012 1 685 80 80 ALA HB H 1.396 0.009 1 686 80 80 ALA C C 179.355 0.044 1 687 80 80 ALA CA C 51.752 0.029 1 688 80 80 ALA CB C 16.479 0.049 1 689 80 80 ALA N N 120.085 0.018 1 690 81 81 LEU H H 7.489 0.004 1 691 81 81 LEU HA H 4.421 0.013 1 692 81 81 LEU HB2 H 1.852 0.010 2 693 81 81 LEU HB3 H 1.525 0.017 2 694 81 81 LEU HG H 1.417 0.003 1 695 81 81 LEU HD1 H 0.885 0.006 2 696 81 81 LEU HD2 H 0.699 0.005 2 697 81 81 LEU C C 177.622 0.035 1 698 81 81 LEU CA C 52.873 0.130 1 699 81 81 LEU CB C 41.845 0.061 1 700 81 81 LEU CG C 25.083 0.052 1 701 81 81 LEU CD1 C 25.098 0.014 2 702 81 81 LEU CD2 C 20.753 0.072 2 703 81 81 LEU N N 113.168 0.020 1 704 82 82 VAL H H 7.808 0.004 1 705 82 82 VAL HA H 5.063 0.011 1 706 82 82 VAL HB H 2.075 0.017 1 707 82 82 VAL HG1 H 0.729 0.003 2 708 82 82 VAL HG2 H 0.777 0.003 2 709 82 82 VAL C C 173.690 0.024 1 710 82 82 VAL CA C 58.191 0.085 1 711 82 82 VAL CB C 33.112 0.046 1 712 82 82 VAL CG1 C 20.239 0.045 2 713 82 82 VAL CG2 C 17.813 0.082 2 714 82 82 VAL N N 116.754 0.027 1 715 83 83 ASP H H 8.711 0.005 1 716 83 83 ASP HA H 5.029 0.016 1 717 83 83 ASP HB2 H 2.437 0.022 2 718 83 83 ASP HB3 H 2.126 0.016 2 719 83 83 ASP C C 175.166 0.029 1 720 83 83 ASP CA C 49.145 0.082 1 721 83 83 ASP CB C 42.593 0.140 1 722 83 83 ASP N N 121.419 0.049 1 723 84 84 HIS H H 8.850 0.015 1 724 84 84 HIS HA H 4.599 0.006 1 725 84 84 HIS HB2 H 3.126 0.059 2 726 84 84 HIS HB3 H 3.202 0.007 2 727 84 84 HIS HD2 H 7.473 0.025 1 728 84 84 HIS HE1 H 8.323 0.000 1 729 84 84 HIS C C 173.878 0.024 1 730 84 84 HIS CA C 54.102 0.421 1 731 84 84 HIS CB C 27.687 0.304 1 732 84 84 HIS N N 119.499 0.062 1 733 85 85 THR H H 7.227 0.007 1 734 85 85 THR HA H 4.860 0.006 1 735 85 85 THR HB H 4.452 0.009 1 736 85 85 THR HG2 H 1.158 0.007 1 737 85 85 THR C C 176.014 0.000 1 738 85 85 THR CA C 57.682 0.090 1 739 85 85 THR CB C 70.222 0.049 1 740 85 85 THR CG2 C 19.012 0.039 1 741 85 85 THR N N 114.305 0.043 1 742 86 86 GLU H H 9.235 0.007 1 743 86 86 GLU HA H 4.111 0.014 1 744 86 86 GLU HB2 H 2.148 0.009 2 745 86 86 GLU HB3 H 2.080 0.009 2 746 86 86 GLU HG2 H 2.387 0.008 2 747 86 86 GLU HG3 H 2.349 0.009 2 748 86 86 GLU C C 177.196 0.011 1 749 86 86 GLU CA C 56.577 0.053 1 750 86 86 GLU CB C 26.720 0.040 1 751 86 86 GLU CG C 33.949 0.216 1 752 86 86 GLU N N 121.198 0.031 1 753 87 87 GLU H H 7.891 0.005 1 754 87 87 GLU HA H 4.539 0.009 1 755 87 87 GLU HB2 H 2.353 0.007 2 756 87 87 GLU HB3 H 1.688 0.011 2 757 87 87 GLU HG2 H 2.212 0.010 2 758 87 87 GLU HG3 H 2.212 0.010 2 759 87 87 GLU C C 174.786 0.029 1 760 87 87 GLU CA C 53.375 0.047 1 761 87 87 GLU CB C 28.035 0.186 1 762 87 87 GLU CG C 34.535 0.188 1 763 87 87 GLU N N 116.046 0.053 1 764 88 88 GLY H H 7.388 0.003 1 765 88 88 GLY HA2 H 5.034 0.013 2 766 88 88 GLY HA3 H 3.958 0.008 2 767 88 88 GLY C C 172.846 0.000 1 768 88 88 GLY CA C 41.764 0.135 1 769 88 88 GLY N N 108.655 0.151 1 770 89 89 PRO HA H 5.215 0.012 1 771 89 89 PRO HB2 H 1.822 0.003 2 772 89 89 PRO HB3 H 1.583 0.006 2 773 89 89 PRO HG2 H 1.762 0.003 2 774 89 89 PRO HG3 H 1.762 0.003 2 775 89 89 PRO HD2 H 3.648 0.005 2 776 89 89 PRO HD3 H 3.569 0.001 2 777 89 89 PRO C C 175.967 0.000 1 778 89 89 PRO CA C 60.143 0.099 1 779 89 89 PRO CB C 29.640 0.132 1 780 89 89 PRO CG C 25.085 0.047 1 781 89 89 PRO CD C 50.591 0.000 1 782 89 89 PRO N N 144.273 0.022 1 783 90 90 VAL H H 8.228 0.010 1 784 90 90 VAL HA H 4.441 0.014 1 785 90 90 VAL HB H 2.216 0.012 1 786 90 90 VAL HG1 H 0.689 0.008 2 787 90 90 VAL HG2 H 0.569 0.005 2 788 90 90 VAL C C 176.249 0.033 1 789 90 90 VAL CA C 56.989 0.079 1 790 90 90 VAL CB C 33.915 0.055 1 791 90 90 VAL CG1 C 21.552 0.059 2 792 90 90 VAL CG2 C 15.336 0.082 2 793 90 90 VAL N N 111.498 0.141 1 794 91 91 CYS H H 9.690 0.007 1 795 91 91 CYS HA H 4.947 0.011 1 796 91 91 CYS HB2 H 3.166 0.007 2 797 91 91 CYS HB3 H 2.471 0.006 2 798 91 91 CYS C C 176.460 0.000 1 799 91 91 CYS CA C 51.048 0.063 1 800 91 91 CYS CB C 30.289 0.049 1 801 91 91 CYS N N 118.846 0.077 1 802 92 92 LYS H H 8.767 0.005 1 803 92 92 LYS HA H 3.772 0.010 1 804 92 92 LYS HB2 H 1.497 0.003 2 805 92 92 LYS HB3 H 1.303 0.008 2 806 92 92 LYS HG2 H 1.290 0.005 2 807 92 92 LYS HG3 H 1.263 0.010 2 808 92 92 LYS HD2 H 1.624 0.003 2 809 92 92 LYS HD3 H 1.562 0.008 2 810 92 92 LYS HE2 H 2.950 0.007 2 811 92 92 LYS HE3 H 2.950 0.007 2 812 92 92 LYS C C 175.550 0.041 1 813 92 92 LYS CA C 56.761 0.045 1 814 92 92 LYS CB C 31.000 0.065 1 815 92 92 LYS CG C 21.973 0.017 1 816 92 92 LYS CD C 26.852 0.054 1 817 92 92 LYS CE C 39.390 0.071 1 818 92 92 LYS N N 125.780 0.034 1 819 93 93 ASN H H 9.191 0.006 1 820 93 93 ASN HA H 5.077 0.012 1 821 93 93 ASN HB2 H 3.187 0.007 2 822 93 93 ASN HB3 H 2.982 0.014 2 823 93 93 ASN HD21 H 7.604 0.007 2 824 93 93 ASN HD22 H 7.159 0.005 2 825 93 93 ASN C C 173.573 0.047 1 826 93 93 ASN CA C 51.336 0.075 1 827 93 93 ASN CB C 38.289 0.037 1 828 93 93 ASN N N 115.657 0.029 1 829 93 93 ASN ND2 N 114.513 0.025 1 830 94 94 ILE H H 7.588 0.005 1 831 94 94 ILE HA H 4.178 0.017 1 832 94 94 ILE HB H 1.529 0.006 1 833 94 94 ILE HG12 H 1.386 0.006 2 834 94 94 ILE HG13 H 1.013 0.005 2 835 94 94 ILE HG2 H 0.796 0.003 1 836 94 94 ILE HD1 H 0.626 0.009 1 837 94 94 ILE C C 174.384 0.036 1 838 94 94 ILE CA C 58.742 0.051 1 839 94 94 ILE CB C 39.667 0.071 1 840 94 94 ILE CG1 C 25.610 0.116 1 841 94 94 ILE CG2 C 15.126 0.059 1 842 94 94 ILE CD1 C 11.136 0.057 1 843 94 94 ILE N N 121.711 0.075 1 844 95 95 VAL H H 8.405 0.004 1 845 95 95 VAL HA H 4.848 0.009 1 846 95 95 VAL HB H 1.907 0.006 1 847 95 95 VAL HG1 H 0.906 0.005 2 848 95 95 VAL HG2 H 0.935 0.003 2 849 95 95 VAL C C 174.547 0.129 1 850 95 95 VAL CA C 58.824 0.023 1 851 95 95 VAL CB C 29.892 0.064 1 852 95 95 VAL CG1 C 19.441 0.064 2 853 95 95 VAL CG2 C 19.085 0.030 2 854 95 95 VAL N N 127.897 0.033 1 855 96 96 ALA H H 9.280 0.005 1 856 96 96 ALA HA H 5.094 0.010 1 857 96 96 ALA HB H 1.102 0.009 1 858 96 96 ALA C C 174.019 0.033 1 859 96 96 ALA CA C 48.016 0.033 1 860 96 96 ALA CB C 23.560 0.060 1 861 96 96 ALA N N 129.960 0.019 1 862 97 97 CYS H H 9.050 0.007 1 863 97 97 CYS HA H 5.190 0.007 1 864 97 97 CYS HB2 H 3.024 0.010 2 865 97 97 CYS HB3 H 2.680 0.009 2 866 97 97 CYS C C 175.164 0.005 1 867 97 97 CYS CA C 51.552 0.070 1 868 97 97 CYS CB C 39.288 0.122 1 869 97 97 CYS N N 117.840 0.037 1 870 98 98 CYS H H 9.135 0.003 1 871 98 98 CYS HA H 5.176 0.005 1 872 98 98 CYS HB2 H 3.143 0.015 2 873 98 98 CYS HB3 H 2.785 0.008 2 874 98 98 CYS CA C 50.140 0.129 1 875 98 98 CYS CB C 40.819 0.066 1 876 98 98 CYS N N 127.652 0.140 1 877 99 99 PRO HA H 4.499 0.009 1 878 99 99 PRO HB2 H 2.315 0.014 2 879 99 99 PRO HB3 H 1.961 0.011 2 880 99 99 PRO HG2 H 1.933 0.003 2 881 99 99 PRO HG3 H 1.933 0.003 2 882 99 99 PRO HD2 H 3.859 0.008 2 883 99 99 PRO HD3 H 3.701 0.011 2 884 99 99 PRO C C 176.460 0.000 1 885 99 99 PRO CA C 60.219 0.040 1 886 99 99 PRO CB C 29.869 0.074 1 887 99 99 PRO CG C 24.784 0.056 1 888 99 99 PRO CD C 48.579 0.182 1 889 99 99 PRO N N 138.025 0.078 1 890 100 100 GLU H H 8.565 0.005 1 891 100 100 GLU HA H 4.162 0.015 1 892 100 100 GLU HB2 H 1.975 0.012 2 893 100 100 GLU HB3 H 1.975 0.012 2 894 100 100 GLU HG2 H 2.299 0.009 2 895 100 100 GLU HG3 H 2.299 0.009 2 896 100 100 GLU C C 177.853 0.029 1 897 100 100 GLU CA C 55.068 0.162 1 898 100 100 GLU CB C 27.193 0.107 1 899 100 100 GLU CG C 33.802 0.187 1 900 100 100 GLU N N 121.611 0.065 1 901 101 101 GLY H H 8.782 0.005 1 902 101 101 GLY HA2 H 4.176 0.013 2 903 101 101 GLY HA3 H 3.843 0.011 2 904 101 101 GLY C C 174.246 0.022 1 905 101 101 GLY CA C 43.048 0.024 1 906 101 101 GLY N N 111.184 0.063 1 907 102 102 THR H H 7.692 0.005 1 908 102 102 THR HA H 4.675 0.007 1 909 102 102 THR HB H 4.313 0.015 1 910 102 102 THR HG2 H 1.157 0.004 1 911 102 102 THR C C 174.365 0.007 1 912 102 102 THR CA C 58.113 0.051 1 913 102 102 THR CB C 67.817 0.101 1 914 102 102 THR CG2 C 18.707 0.057 1 915 102 102 THR N N 111.702 0.031 1 916 103 103 THR H H 8.108 0.004 1 917 103 103 THR HA H 4.341 0.012 1 918 103 103 THR HB H 4.199 0.009 1 919 103 103 THR HG2 H 1.188 0.004 1 920 103 103 THR C C 173.877 0.021 1 921 103 103 THR CA C 60.022 0.051 1 922 103 103 THR CB C 66.732 0.068 1 923 103 103 THR CG2 C 19.242 0.000 1 924 103 103 THR N N 114.111 0.039 1 925 104 104 ASN H H 7.942 0.005 1 926 104 104 ASN HA H 4.884 0.010 1 927 104 104 ASN HB2 H 2.599 0.008 2 928 104 104 ASN HB3 H 2.599 0.008 2 929 104 104 ASN HD21 H 7.420 0.005 2 930 104 104 ASN HD22 H 6.883 0.005 2 931 104 104 ASN C C 174.888 0.033 1 932 104 104 ASN CA C 50.047 0.062 1 933 104 104 ASN CB C 37.948 0.055 1 934 104 104 ASN N N 118.368 0.037 1 935 104 104 ASN ND2 N 112.319 0.096 1 936 105 105 CYS H H 8.622 0.002 1 937 105 105 CYS HA H 5.069 0.010 1 938 105 105 CYS HB2 H 3.357 0.006 2 939 105 105 CYS HB3 H 2.512 0.006 2 940 105 105 CYS C C 172.283 0.033 1 941 105 105 CYS CA C 54.258 0.063 1 942 105 105 CYS CB C 46.501 0.046 1 943 105 105 CYS N N 119.096 0.027 1 944 106 106 VAL H H 8.713 0.007 1 945 106 106 VAL HA H 4.548 0.008 1 946 106 106 VAL HB H 2.016 0.007 1 947 106 106 VAL HG1 H 0.958 0.004 2 948 106 106 VAL HG2 H 0.901 0.001 2 949 106 106 VAL C C 175.114 0.011 1 950 106 106 VAL CA C 58.243 0.064 1 951 106 106 VAL CB C 32.522 0.055 1 952 106 106 VAL CG1 C 18.717 0.119 2 953 106 106 VAL CG2 C 17.783 0.098 2 954 106 106 VAL N N 118.666 0.041 1 955 107 107 ALA H H 8.887 0.002 1 956 107 107 ALA HA H 4.267 0.014 1 957 107 107 ALA HB H 1.415 0.010 1 958 107 107 ALA C C 177.829 0.022 1 959 107 107 ALA CA C 50.461 0.010 1 960 107 107 ALA CB C 16.765 0.026 1 961 107 107 ALA N N 129.905 0.022 1 962 108 108 VAL H H 8.490 0.008 1 963 108 108 VAL HA H 4.158 0.031 1 964 108 108 VAL HB H 2.095 0.018 1 965 108 108 VAL HG1 H 0.905 0.002 2 966 108 108 VAL HG2 H 0.852 0.003 2 967 108 108 VAL C C 175.721 0.035 1 968 108 108 VAL CA C 59.756 0.049 1 969 108 108 VAL CB C 30.083 0.222 1 970 108 108 VAL CG1 C 19.272 0.048 2 971 108 108 VAL CG2 C 17.642 0.079 2 972 108 108 VAL N N 118.702 0.056 1 973 109 109 ASP H H 8.400 0.005 1 974 109 109 ASP HA H 4.669 0.018 1 975 109 109 ASP HB2 H 2.684 0.014 2 976 109 109 ASP HB3 H 2.628 0.004 2 977 109 109 ASP C C 175.686 0.000 1 978 109 109 ASP CA C 51.421 0.078 1 979 109 109 ASP CB C 38.934 0.140 1 980 109 109 ASP N N 122.907 0.147 1 981 110 110 ASN H H 8.447 0.002 1 982 110 110 ASN HA H 4.695 0.015 1 983 110 110 ASN HB2 H 2.860 0.007 2 984 110 110 ASN HB3 H 2.774 0.007 2 985 110 110 ASN HD21 H 7.601 0.006 2 986 110 110 ASN HD22 H 6.867 0.005 2 987 110 110 ASN C C 175.265 0.045 1 988 110 110 ASN CA C 50.653 0.065 1 989 110 110 ASN CB C 36.375 0.071 1 990 110 110 ASN N N 120.059 0.026 1 991 110 110 ASN ND2 N 112.477 0.116 1 992 111 111 ALA H H 8.360 0.004 1 993 111 111 ALA HA H 4.297 0.012 1 994 111 111 ALA HB H 1.417 0.003 1 995 111 111 ALA C C 178.468 0.025 1 996 111 111 ALA CA C 50.714 0.049 1 997 111 111 ALA CB C 16.564 0.018 1 998 111 111 ALA N N 124.606 0.052 1 999 112 112 GLY H H 8.391 0.002 1 1000 112 112 GLY HA2 H 3.946 0.008 2 1001 112 112 GLY HA3 H 3.946 0.008 2 1002 112 112 GLY C C 174.321 0.021 1 1003 112 112 GLY CA C 43.021 0.039 1 1004 112 112 GLY N N 108.057 0.074 1 1005 113 113 ALA H H 8.126 0.003 1 1006 113 113 ALA HA H 4.329 0.009 1 1007 113 113 ALA HB H 1.416 0.007 1 1008 113 113 ALA C C 178.404 0.032 1 1009 113 113 ALA CA C 50.384 0.052 1 1010 113 113 ALA CB C 16.859 0.040 1 1011 113 113 ALA N N 123.908 0.025 1 1012 114 114 GLY H H 8.421 0.003 1 1013 114 114 GLY HA2 H 3.996 0.009 2 1014 114 114 GLY HA3 H 3.996 0.009 2 1015 114 114 GLY C C 174.440 0.002 1 1016 114 114 GLY CA C 42.913 0.027 1 1017 114 114 GLY N N 108.093 0.090 1 1018 115 115 THR H H 8.026 0.004 1 1019 115 115 THR HA H 4.322 0.006 1 1020 115 115 THR HB H 4.196 0.008 1 1021 115 115 THR HG2 H 1.176 0.006 1 1022 115 115 THR C C 174.402 0.044 1 1023 115 115 THR CA C 59.526 0.087 1 1024 115 115 THR CB C 67.518 0.034 1 1025 115 115 THR CG2 C 19.103 0.024 1 1026 115 115 THR N N 114.234 0.019 1 1027 116 116 LYS H H 8.362 0.009 1 1028 116 116 LYS HA H 4.350 0.006 1 1029 116 116 LYS HB2 H 1.833 0.009 2 1030 116 116 LYS HB3 H 1.749 0.004 2 1031 116 116 LYS HG2 H 1.415 0.004 2 1032 116 116 LYS HG3 H 1.415 0.004 2 1033 116 116 LYS HD2 H 1.664 0.003 2 1034 116 116 LYS HD3 H 1.664 0.003 2 1035 116 116 LYS HE2 H 2.974 0.002 2 1036 116 116 LYS HE3 H 2.974 0.002 2 1037 116 116 LYS C C 175.912 0.040 1 1038 116 116 LYS CA C 53.583 0.076 1 1039 116 116 LYS CB C 30.789 0.105 1 1040 116 116 LYS CG C 22.222 0.093 1 1041 116 116 LYS CD C 26.587 0.045 1 1042 116 116 LYS CE C 39.560 0.055 1 1043 116 116 LYS N N 124.603 0.042 1 1044 117 117 ALA H H 8.404 0.011 1 1045 117 117 ALA HA H 4.346 0.010 1 1046 117 117 ALA HB H 1.383 0.005 1 1047 117 117 ALA C C 176.703 0.029 1 1048 117 117 ALA CA C 50.036 0.032 1 1049 117 117 ALA CB C 16.812 0.022 1 1050 117 117 ALA N N 127.153 0.085 1 1051 118 118 GLU H H 7.947 0.005 1 1052 118 118 GLU HA H 4.113 0.022 1 1053 118 118 GLU HB2 H 2.040 0.019 2 1054 118 118 GLU HB3 H 1.868 0.009 2 1055 118 118 GLU HG2 H 2.185 0.039 2 1056 118 118 GLU HG3 H 2.185 0.039 2 1057 118 118 GLU C C 180.826 0.000 1 1058 118 118 GLU CA C 55.314 0.077 1 1059 118 118 GLU CB C 28.668 0.198 1 1060 118 118 GLU CG C 34.071 0.112 1 1061 118 118 GLU N N 125.310 0.213 1 stop_ save_