data_16180 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of the C-terminal domain of EHD1 in complex with FNYESTNPFTAK ; _BMRB_accession_number 16180 _BMRB_flat_file_name bmr16180.str _Entry_type original _Submission_date 2009-02-20 _Accession_date 2009-02-20 _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 KIEKEN Fabien . . 2 JOVIC Marko . . 3 TONELLI Marco . . 4 NASLAVSKY Naava . . 5 CAPLAN Steve . . 6 SORGEN Paul . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 689 "13C chemical shifts" 365 "15N chemical shifts" 91 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-04-09 update BMRB 'update ligand' 2010-06-02 update BMRB 'edit assembly name' 2010-01-21 update BMRB 'complete entry citation' 2009-10-16 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 16179 'C-terminal domain of EHD1 in complex with FNYESTNPFTAK' 16181 'C-terminal domain of EHD1 in complex with FNYESTGPFTAK' stop_ _Original_release_date 2015-04-09 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural insight into the interaction of proteins containing NPF, DPF, and GPF motifs with the C-terminal EH-domain of EHD1. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19798736 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kieken Fabien . . 2 Jovic Marko . . 3 Tonelli Marco . . 4 Naslavsky Naava . . 5 Caplan Steve . . 6 Sorgen Paul L. . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_name_full 'Protein science : a publication of the Protein Society' _Journal_volume 18 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2471 _Page_last 2479 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'EHD1/FNYESTNPFTAK complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $EH_domain_of_EHD1 entity_2 $Rab11-FIP2_DPF_peptide CA2 $entity_CA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_EH_domain_of_EHD1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common EH_domain_of_EHD1 _Molecular_mass 11654.459 _Mol_thiol_state unknown _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 105 _Mol_residue_sequence ; GPLGSDDVEWVVGKDKPTYD EIFYTLSPVNGKITGANAKK EMVKSKLPNTVLGKIWKLAD VDKDGLLDDEEFALANHLIK VKLEGHELPADLPPHLVPPS KRRHE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 35 GLY 2 36 PRO 3 37 LEU 4 38 GLY 5 39 SER 6 40 ASP 7 41 ASP 8 42 VAL 9 43 GLU 10 44 TRP 11 45 VAL 12 46 VAL 13 47 GLY 14 48 LYS 15 49 ASP 16 50 LYS 17 51 PRO 18 52 THR 19 53 TYR 20 54 ASP 21 55 GLU 22 56 ILE 23 57 PHE 24 58 TYR 25 59 THR 26 60 LEU 27 61 SER 28 62 PRO 29 63 VAL 30 64 ASN 31 65 GLY 32 66 LYS 33 67 ILE 34 68 THR 35 69 GLY 36 70 ALA 37 71 ASN 38 72 ALA 39 73 LYS 40 74 LYS 41 75 GLU 42 76 MET 43 77 VAL 44 78 LYS 45 79 SER 46 80 LYS 47 81 LEU 48 82 PRO 49 83 ASN 50 84 THR 51 85 VAL 52 86 LEU 53 87 GLY 54 88 LYS 55 89 ILE 56 90 TRP 57 91 LYS 58 92 LEU 59 93 ALA 60 94 ASP 61 95 VAL 62 96 ASP 63 97 LYS 64 98 ASP 65 99 GLY 66 100 LEU 67 101 LEU 68 102 ASP 69 103 ASP 70 104 GLU 71 105 GLU 72 106 PHE 73 107 ALA 74 108 LEU 75 109 ALA 76 110 ASN 77 111 HIS 78 112 LEU 79 113 ILE 80 114 LYS 81 115 VAL 82 116 LYS 83 117 LEU 84 118 GLU 85 119 GLY 86 120 HIS 87 121 GLU 88 122 LEU 89 123 PRO 90 124 ALA 91 125 ASP 92 126 LEU 93 127 PRO 94 128 PRO 95 129 HIS 96 130 LEU 97 131 VAL 98 132 PRO 99 133 PRO 100 134 SER 101 135 LYS 102 136 ARG 103 137 ARG 104 138 HIS 105 139 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 BMRB 15279 "EH domain of EHD1" 97.14 139 99.02 99.02 6.92e-64 BMRB 16179 EH_domain_of_EHD1 100.00 105 100.00 100.00 1.91e-67 BMRB 16181 EH_domain_of_EHD1 100.00 105 100.00 100.00 1.91e-67 BMRB 16671 EH_domain_of_EHD1 100.00 105 100.00 100.00 1.91e-67 PDB 2JQ6 "Structure Of Eh-Domain Of Ehd1" 97.14 139 99.02 99.02 6.92e-64 PDB 2KFF "Structure Of The C-Terminal Domain Of Ehd1 With Fnyestnpftak" 100.00 105 100.00 100.00 1.91e-67 PDB 2KFG "Structure Of The C-Terminal Domain Of Ehd1 In Complex With Fnyestdpftak" 100.00 105 100.00 100.00 1.91e-67 PDB 2KFH "Structure Of The C-Terminal Domain Of Ehd1 With Fnyestgpftak" 100.00 105 100.00 100.00 1.91e-67 PDB 2KSP "Mechanism For The Selective Interaction Of C-Terminal Eh-Dom Proteins With Specific Npf-Containing Partners" 100.00 105 100.00 100.00 1.91e-67 DBJ BAB28540 "unnamed protein product [Mus musculus]" 97.14 534 98.04 99.02 6.91e-61 DBJ BAC40684 "unnamed protein product [Mus musculus]" 97.14 534 98.04 99.02 6.91e-61 DBJ BAE32742 "unnamed protein product [Mus musculus]" 97.14 534 98.04 99.02 6.91e-61 DBJ BAE35499 "unnamed protein product [Mus musculus]" 97.14 534 98.04 99.02 6.91e-61 DBJ BAE35852 "unnamed protein product [Mus musculus]" 97.14 534 98.04 99.02 6.16e-61 EMBL CAH90816 "hypothetical protein [Pongo abelii]" 97.14 534 99.02 99.02 4.73e-61 GB AAB81204 "Hpast [Homo sapiens]" 97.14 534 98.04 98.04 4.78e-60 GB AAD45423 "EH domain-containing protein EHD1 [Mus musculus]" 97.14 534 98.04 99.02 6.91e-61 GB AAF24223 "MPAST1 [Mus musculus]" 97.14 534 98.04 99.02 6.91e-61 GB AAG02009 "similar to Homo sapiens Hpast (HPAST) mRNA with GenBank Accession Number AF001434.1 [Homo sapiens]" 92.38 534 98.97 98.97 7.76e-57 GB AAH37094 "EH-domain containing 1, partial [Mus musculus]" 97.14 556 98.04 99.02 1.01e-60 REF NP_001011939 "EH domain-containing protein 1 [Rattus norvegicus]" 97.14 534 98.04 99.02 6.91e-61 REF NP_001015578 "EH domain-containing protein 1 [Bos taurus]" 97.14 534 98.04 99.02 8.71e-61 REF NP_001125465 "EH domain-containing protein 1 [Pongo abelii]" 97.14 534 99.02 99.02 4.73e-61 REF NP_001162473 "EH domain-containing protein 1 [Papio anubis]" 97.14 534 99.02 99.02 4.73e-61 REF NP_001248124 "EH domain-containing protein 1 [Macaca mulatta]" 97.14 534 99.02 99.02 4.73e-61 SP Q5E9R3 "RecName: Full=EH domain-containing protein 1" 97.14 534 98.04 99.02 8.71e-61 SP Q5RBP4 "RecName: Full=EH domain-containing protein 1" 97.14 534 99.02 99.02 4.73e-61 SP Q641Z6 "RecName: Full=EH domain-containing protein 1" 97.14 534 98.04 99.02 6.91e-61 SP Q9H4M9 "RecName: Full=EH domain-containing protein 1; AltName: Full=PAST homolog 1; Short=hPAST1; AltName: Full=Testilin" 97.14 534 99.02 99.02 4.73e-61 SP Q9WVK4 "RecName: Full=EH domain-containing protein 1; AltName: Full=PAST homolog 1; Short=mPAST1" 97.14 534 98.04 99.02 6.91e-61 stop_ save_ save_Rab11-FIP2_DPF_peptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Rab11-FIP2_DPF_peptide _Molecular_mass 1419.530 _Mol_thiol_state unknown _Details . _Residue_count 12 _Mol_residue_sequence ; FNYESTDPFTAK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 143 PHE 2 144 ASN 3 145 TYR 4 146 GLU 5 147 SER 6 148 THR 7 149 ASP 8 150 PRO 9 151 PHE 10 152 THR 11 153 ALA 12 154 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'CALCIUM ION' _BMRB_code CA _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $EH_domain_of_EHD1 Human 9606 Eukaryota Metazoa Homo sapiens $Rab11-FIP2_DPF_peptide 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 $EH_domain_of_EHD1 'recombinant technology' . . . . PGex6p-2 $Rab11-FIP2_DPF_peptide 'obtained from a vendor' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '20mM Tris, 100Kcl, 2mM Cacl2' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $EH_domain_of_EHD1 0.6 mM '[U-99% 13C; U-99% 15N]' $Rab11-FIP2_DPF_peptide 3 mM 'natural abundance' H20 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_VNMR _Saveframe_category software _Name VNMR _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VXRS _Field_strength 800 _Details 'with cryoprobe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details 'with cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_13CFiltered-13CfilteredNOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13CFiltered-13CfilteredNOESY' _Sample_label $sample_1 save_ save_2D_13C-filtered-13C_editedNOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C-filtered-13C editedNOESY' _Sample_label $sample_1 save_ save_2D_13C-filtered-15N_editedNOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C-filtered-15N editedNOESY' _Sample_label $sample_1 save_ save_2D_15N_filtered_Noesy_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N filtered Noesy' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 7.0 . pH pressure 1.0 . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label water C 13 protons ppm 0.00 . indirect . . . 0.251449530 $entry_citation $entry_citation water H 1 protons ppm 4.758 internal direct . . . 1.000000000 $entry_citation $entry_citation water N 15 protons ppm 0.00 . indirect . . . 0.101329118 $entry_citation $entry_citation 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_ _Software_label $NMRView stop_ loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' '2D 13CFiltered-13CfilteredNOESY' '2D 13C-filtered-15N editedNOESY' '2D 15N filtered Noesy' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 41 7 ASP H H 8.479 . 1 2 41 7 ASP HA H 4.650 . 1 3 41 7 ASP HB2 H 2.650 . 2 4 41 7 ASP HB3 H 2.680 . 2 5 41 7 ASP CA C 53.120 . 1 6 41 7 ASP CB C 39.840 . 1 7 41 7 ASP N N 124.447 . 1 8 42 8 VAL H H 7.916 . 1 9 42 8 VAL HA H 4.150 . 1 10 42 8 VAL HB H 2.110 . 1 11 42 8 VAL HG1 H 0.921 . 2 12 42 8 VAL HG2 H 0.924 . 2 13 42 8 VAL CA C 60.500 . 1 14 42 8 VAL CB C 31.540 . 1 15 42 8 VAL CG1 C 19.500 . 1 16 42 8 VAL CG2 C 19.000 . 1 17 42 8 VAL N N 120.853 . 1 18 43 9 GLU H H 8.476 . 1 19 43 9 GLU HA H 4.300 . 1 20 43 9 GLU HB2 H 2.024 . 2 21 43 9 GLU HB3 H 2.024 . 2 22 43 9 GLU HG2 H 2.200 . 2 23 43 9 GLU HG3 H 2.290 . 2 24 43 9 GLU CA C 55.400 . 1 25 43 9 GLU CB C 29.120 . 1 26 43 9 GLU CG C 34.800 . 1 27 43 9 GLU N N 127.650 . 1 28 44 10 TRP H H 8.839 . 1 29 44 10 TRP HA H 5.240 . 1 30 44 10 TRP HB2 H 2.870 . 2 31 44 10 TRP HB3 H 3.550 . 2 32 44 10 TRP HD1 H 7.500 . 1 33 44 10 TRP HE1 H 9.321 . 3 34 44 10 TRP HE3 H 7.710 . 3 35 44 10 TRP HH2 H 7.350 . 1 36 44 10 TRP HZ2 H 7.250 . 3 37 44 10 TRP HZ3 H 7.130 . 3 38 44 10 TRP CA C 54.290 . 1 39 44 10 TRP CB C 27.330 . 1 40 44 10 TRP CD1 C 123.400 . 3 41 44 10 TRP CE3 C 119.000 . 3 42 44 10 TRP CH2 C 121.500 . 1 43 44 10 TRP CZ2 C 109.500 . 3 44 44 10 TRP CZ3 C 118.100 . 3 45 44 10 TRP N N 126.406 . 1 46 45 11 VAL H H 9.230 . 1 47 45 11 VAL HA H 3.900 . 1 48 45 11 VAL HB H 2.150 . 1 49 45 11 VAL HG1 H 0.841 . 2 50 45 11 VAL HG2 H 0.833 . 2 51 45 11 VAL CA C 63.500 . 1 52 45 11 VAL CB C 30.420 . 1 53 45 11 VAL CG1 C 19.100 . 1 54 45 11 VAL CG2 C 19.500 . 1 55 45 11 VAL N N 131.353 . 1 56 46 12 VAL H H 5.020 . 1 57 46 12 VAL HA H 3.050 . 1 58 46 12 VAL HB H -1.194 . 1 59 46 12 VAL HG1 H -0.177 . 2 60 46 12 VAL HG2 H 0.527 . 2 61 46 12 VAL CA C 60.540 . 1 62 46 12 VAL CB C 29.280 . 1 63 46 12 VAL CG1 C 20.700 . 1 64 46 12 VAL CG2 C 22.250 . 1 65 47 13 GLY H H 7.330 . 1 66 47 13 GLY HA2 H 3.600 . 2 67 47 13 GLY HA3 H 4.194 . 2 68 47 13 GLY CA C 46.400 . 1 69 48 14 LYS H H 7.581 . 1 70 48 14 LYS HA H 4.077 . 1 71 48 14 LYS HB2 H 1.750 . 2 72 48 14 LYS HB3 H 1.826 . 2 73 48 14 LYS HD2 H 1.641 . 2 74 48 14 LYS HD3 H 1.641 . 2 75 48 14 LYS HE2 H 2.970 . 2 76 48 14 LYS HE3 H 3.012 . 2 77 48 14 LYS HG2 H 1.387 . 2 78 48 14 LYS HG3 H 1.387 . 2 79 48 14 LYS CA C 57.420 . 1 80 48 14 LYS CB C 30.490 . 1 81 48 14 LYS CD C 23.950 . 1 82 48 14 LYS CE C 40.700 . 1 83 48 14 LYS CG C 22.330 . 1 84 48 14 LYS N N 121.084 . 1 85 49 15 ASP H H 7.309 . 1 86 49 15 ASP HA H 4.770 . 1 87 49 15 ASP HB2 H 2.310 . 2 88 49 15 ASP HB3 H 2.340 . 2 89 49 15 ASP CA C 52.880 . 1 90 49 15 ASP CB C 41.910 . 1 91 49 15 ASP N N 118.181 . 1 92 50 16 LYS H H 7.506 . 1 93 50 16 LYS HA H 4.068 . 1 94 50 16 LYS HB2 H 1.690 . 2 95 50 16 LYS HB3 H 2.320 . 2 96 50 16 LYS HD2 H 1.810 . 2 97 50 16 LYS HD3 H 2.010 . 2 98 50 16 LYS HE2 H 2.840 . 2 99 50 16 LYS HE3 H 3.160 . 2 100 50 16 LYS HG2 H 1.530 . 2 101 50 16 LYS HG3 H 1.900 . 2 102 50 16 LYS CA C 60.180 . 1 103 50 16 LYS CB C 30.193 . 1 104 50 16 LYS CD C 29.200 . 1 105 50 16 LYS CE C 40.700 . 1 106 50 16 LYS CG C 24.640 . 1 107 50 16 LYS N N 123.633 . 1 108 51 17 PRO HA H 4.440 . 1 109 51 17 PRO HB2 H 1.870 . 2 110 51 17 PRO HB3 H 2.420 . 2 111 51 17 PRO HD2 H 3.420 . 2 112 51 17 PRO HD3 H 3.770 . 2 113 51 17 PRO HG2 H 2.020 . 2 114 51 17 PRO HG3 H 2.140 . 2 115 51 17 PRO CA C 65.660 . 1 116 51 17 PRO CB C 29.600 . 1 117 51 17 PRO CD C 48.760 . 1 118 51 17 PRO CG C 27.330 . 1 119 52 18 THR H H 7.280 . 1 120 52 18 THR HA H 3.980 . 1 121 52 18 THR HB H 3.930 . 1 122 52 18 THR HG2 H 1.140 . 1 123 52 18 THR CA C 64.440 . 1 124 52 18 THR CB C 67.210 . 1 125 52 18 THR CG2 C 20.300 . 1 126 52 18 THR N N 115.095 . 1 127 53 19 TYR H H 7.083 . 1 128 53 19 TYR HA H 4.728 . 1 129 53 19 TYR HB2 H 3.150 . 2 130 53 19 TYR HB3 H 3.270 . 2 131 53 19 TYR HD1 H 6.770 . 3 132 53 19 TYR HD2 H 6.770 . 3 133 53 19 TYR HE1 H 6.750 . 3 134 53 19 TYR HE2 H 6.750 . 3 135 53 19 TYR CA C 57.110 . 1 136 53 19 TYR CB C 35.170 . 1 137 53 19 TYR CD1 C 128.050 . 3 138 53 19 TYR CD2 C 128.050 . 3 139 53 19 TYR CE1 C 115.050 . 3 140 53 19 TYR CE2 C 115.050 . 3 141 53 19 TYR N N 125.380 . 1 142 54 20 ASP H H 9.588 . 1 143 54 20 ASP HA H 4.520 . 1 144 54 20 ASP HB2 H 2.810 . 2 145 54 20 ASP HB3 H 2.930 . 2 146 54 20 ASP CA C 55.515 . 1 147 54 20 ASP CB C 38.740 . 1 148 54 20 ASP N N 124.548 . 1 149 55 21 GLU H H 7.309 . 1 150 55 21 GLU HA H 4.140 . 1 151 55 21 GLU HB2 H 2.190 . 2 152 55 21 GLU HB3 H 2.250 . 2 153 55 21 GLU HG2 H 2.390 . 2 154 55 21 GLU HG3 H 2.590 . 2 155 55 21 GLU CA C 58.100 . 1 156 55 21 GLU CB C 28.400 . 1 157 55 21 GLU CG C 35.000 . 1 158 55 21 GLU N N 118.181 . 1 159 56 22 ILE H H 7.249 . 1 160 56 22 ILE HA H 3.946 . 1 161 56 22 ILE HB H 2.420 . 1 162 56 22 ILE HD1 H 1.075 . 1 163 56 22 ILE HG12 H 1.342 . 1 164 56 22 ILE HG13 H 1.950 . 1 165 56 22 ILE HG2 H 1.129 . 2 166 56 22 ILE CA C 62.400 . 1 167 56 22 ILE CB C 37.597 . 1 168 56 22 ILE CD1 C 11.740 . 1 169 56 22 ILE CG1 C 26.400 . 2 170 56 22 ILE CG2 C 16.440 . 1 171 56 22 ILE N N 118.978 . 1 172 57 23 PHE H H 9.117 . 1 173 57 23 PHE HA H 3.100 . 1 174 57 23 PHE HB2 H 3.100 . 2 175 57 23 PHE HB3 H 3.280 . 2 176 57 23 PHE HD1 H 5.930 . 3 177 57 23 PHE HD2 H 5.930 . 3 178 57 23 PHE HE1 H 6.840 . 3 179 57 23 PHE HE2 H 6.840 . 3 180 57 23 PHE HZ H 7.268 . 1 181 57 23 PHE CA C 61.330 . 1 182 57 23 PHE CB C 38.250 . 1 183 57 23 PHE CD1 C 127.550 . 3 184 57 23 PHE CD2 C 127.500 . 3 185 57 23 PHE CE1 C 127.800 . 3 186 57 23 PHE CE2 C 127.800 . 3 187 57 23 PHE CZ C 126.100 . 1 188 57 23 PHE N N 127.639 . 1 189 58 24 TYR H H 7.903 . 1 190 58 24 TYR HA H 4.000 . 1 191 58 24 TYR HB2 H 2.910 . 2 192 58 24 TYR HB3 H 3.400 . 2 193 58 24 TYR HD1 H 7.410 . 3 194 58 24 TYR HD2 H 7.410 . 3 195 58 24 TYR HE1 H 6.900 . 3 196 58 24 TYR HE2 H 6.900 . 3 197 58 24 TYR CA C 60.480 . 1 198 58 24 TYR CB C 36.086 . 1 199 58 24 TYR CD1 C 130.190 . 3 200 58 24 TYR CD2 C 130.190 . 3 201 58 24 TYR CE1 C 114.400 . 3 202 58 24 TYR CE2 C 114.400 . 3 203 58 24 TYR N N 112.757 . 1 204 59 25 THR H H 8.081 . 1 205 59 25 THR HA H 4.650 . 1 206 59 25 THR HB H 4.510 . 1 207 59 25 THR HG1 H 6.020 . 1 208 59 25 THR HG2 H 1.470 . 1 209 59 25 THR CA C 61.770 . 1 210 59 25 THR CB C 68.700 . 1 211 59 25 THR CG2 C 20.260 . 1 212 59 25 THR N N 112.676 . 1 213 60 26 LEU H H 7.373 . 1 214 60 26 LEU HA H 4.470 . 1 215 60 26 LEU HB2 H 1.328 . 2 216 60 26 LEU HB3 H 1.524 . 2 217 60 26 LEU HD1 H 0.514 . 2 218 60 26 LEU HD2 H 0.730 . 2 219 60 26 LEU HG H 1.630 . 1 220 60 26 LEU CA C 52.330 . 1 221 60 26 LEU CB C 38.700 . 1 222 60 26 LEU CD1 C 25.850 . 1 223 60 26 LEU CD2 C 20.540 . 1 224 60 26 LEU CG C 24.150 . 1 225 60 26 LEU N N 125.808 . 1 226 61 27 SER H H 7.860 . 1 227 61 27 SER HA H 3.990 . 1 228 61 27 SER HB2 H 3.840 . 2 229 61 27 SER HB3 H 3.930 . 2 230 61 27 SER CA C 56.300 . 1 231 61 27 SER CB C 60.230 . 1 232 61 27 SER N N 111.582 . 1 233 62 28 PRO HA H 4.210 . 1 234 62 28 PRO HB2 H 1.220 . 2 235 62 28 PRO HB3 H 1.550 . 2 236 62 28 PRO HD2 H 3.110 . 2 237 62 28 PRO HD3 H 3.450 . 2 238 62 28 PRO HG2 H 1.280 . 2 239 62 28 PRO HG3 H 1.880 . 2 240 62 28 PRO CA C 61.600 . 1 241 62 28 PRO CB C 29.890 . 1 242 62 28 PRO CD C 48.990 . 1 243 62 28 PRO CG C 26.110 . 1 244 63 29 VAL H H 8.750 . 1 245 63 29 VAL HA H 4.180 . 1 246 63 29 VAL HB H 1.970 . 1 247 63 29 VAL HG1 H 0.930 . 2 248 63 29 VAL HG2 H 0.973 . 2 249 63 29 VAL CA C 60.660 . 1 250 63 29 VAL CB C 32.878 . 1 251 63 29 VAL CG1 C 19.460 . 1 252 63 29 VAL CG2 C 19.840 . 1 253 63 29 VAL N N 124.299 . 1 254 64 30 ASN H H 9.713 . 1 255 64 30 ASN HA H 4.420 . 1 256 64 30 ASN HB2 H 2.830 . 2 257 64 30 ASN HB3 H 3.130 . 2 258 64 30 ASN HD21 H 7.670 . 2 259 64 30 ASN HD22 H 6.950 . 2 260 64 30 ASN CA C 52.940 . 1 261 64 30 ASN CB C 36.300 . 1 262 64 30 ASN N N 129.729 . 1 263 64 30 ASN ND2 N 115.082 . 1 264 65 31 GLY H H 8.862 . 1 265 65 31 GLY HA2 H 3.760 . 2 266 65 31 GLY HA3 H 4.260 . 2 267 65 31 GLY CA C 44.260 . 1 268 65 31 GLY N N 130.591 . 1 269 66 32 LYS H H 7.501 . 1 270 66 32 LYS HA H 5.420 . 1 271 66 32 LYS HB2 H 1.728 . 2 272 66 32 LYS HB3 H 1.740 . 2 273 66 32 LYS HD2 H 1.610 . 2 274 66 32 LYS HD3 H 1.780 . 2 275 66 32 LYS HE2 H 3.098 . 2 276 66 32 LYS HE3 H 3.098 . 2 277 66 32 LYS HG2 H 1.320 . 2 278 66 32 LYS HG3 H 1.470 . 2 279 66 32 LYS CA C 53.900 . 1 280 66 32 LYS CB C 36.200 . 1 281 66 32 LYS CD C 28.500 . 1 282 66 32 LYS CE C 41.050 . 1 283 66 32 LYS CG C 24.200 . 1 284 66 32 LYS N N 118.738 . 1 285 67 33 ILE H H 9.230 . 1 286 67 33 ILE HA H 5.030 . 1 287 67 33 ILE HB H 1.820 . 1 288 67 33 ILE HD1 H 0.485 . 1 289 67 33 ILE HG12 H 1.475 . 1 290 67 33 ILE HG13 H 1.475 . 1 291 67 33 ILE HG2 H -0.010 . 2 292 67 33 ILE CA C 57.470 . 1 293 67 33 ILE CB C 39.880 . 1 294 67 33 ILE CD1 C 14.300 . 1 295 67 33 ILE CG1 C 23.400 . 2 296 67 33 ILE CG2 C 15.570 . 1 297 67 33 ILE N N 118.166 . 1 298 68 34 THR H H 8.242 . 1 299 68 34 THR HA H 4.560 . 1 300 68 34 THR HB H 4.712 . 1 301 68 34 THR HG1 H 5.400 . 1 302 68 34 THR HG2 H 1.350 . 1 303 68 34 THR CA C 58.970 . 1 304 68 34 THR CB C 69.910 . 1 305 68 34 THR CG2 C 21.000 . 1 306 68 34 THR N N 111.971 . 1 307 69 35 GLY H H 8.987 . 1 308 69 35 GLY HA2 H 3.530 . 2 309 69 35 GLY HA3 H 3.830 . 2 310 69 35 GLY CA C 46.900 . 1 311 69 35 GLY N N 110.332 . 1 312 70 36 ALA H H 8.289 . 1 313 70 36 ALA HA H 3.890 . 1 314 70 36 ALA HB H 1.308 . 1 315 70 36 ALA CA C 53.830 . 1 316 70 36 ALA CB C 16.900 . 1 317 70 36 ALA N N 123.588 . 1 318 71 37 ASN H H 7.550 . 1 319 71 37 ASN HA H 4.690 . 1 320 71 37 ASN HB2 H 2.570 . 2 321 71 37 ASN HB3 H 2.850 . 2 322 71 37 ASN HD21 H 8.130 . 2 323 71 37 ASN HD22 H 7.109 . 2 324 71 37 ASN CA C 54.000 . 1 325 71 37 ASN CB C 36.300 . 1 326 71 37 ASN N N 118.594 . 1 327 71 37 ASN ND2 N 117.044 . 1 328 72 38 ALA H H 8.825 . 1 329 72 38 ALA HA H 4.110 . 1 330 72 38 ALA HB H 1.830 . 1 331 72 38 ALA CA C 54.340 . 1 332 72 38 ALA CB C 17.970 . 1 333 72 38 ALA N N 123.885 . 1 334 73 39 LYS H H 8.798 . 1 335 73 39 LYS HA H 3.940 . 1 336 73 39 LYS HB2 H 1.450 . 2 337 73 39 LYS HB3 H 1.760 . 2 338 73 39 LYS HD2 H 1.020 . 2 339 73 39 LYS HD3 H 1.250 . 2 340 73 39 LYS HE2 H 2.390 . 2 341 73 39 LYS HE3 H 2.520 . 2 342 73 39 LYS HG2 H 1.180 . 2 343 73 39 LYS HG3 H 1.250 . 2 344 73 39 LYS CA C 59.000 . 1 345 73 39 LYS CB C 30.880 . 1 346 73 39 LYS CD C 28.500 . 1 347 73 39 LYS CE C 40.600 . 1 348 73 39 LYS CG C 24.200 . 1 349 73 39 LYS N N 120.109 . 1 350 74 40 LYS H H 7.295 . 1 351 74 40 LYS HA H 3.990 . 1 352 74 40 LYS HB2 H 1.990 . 2 353 74 40 LYS HB3 H 1.990 . 2 354 74 40 LYS HD2 H 1.760 . 2 355 74 40 LYS HD3 H 1.760 . 2 356 74 40 LYS HE2 H 3.050 . 2 357 74 40 LYS HE3 H 3.000 . 2 358 74 40 LYS HG2 H 1.520 . 2 359 74 40 LYS HG3 H 1.650 . 2 360 74 40 LYS CA C 58.240 . 1 361 74 40 LYS CB C 30.900 . 1 362 74 40 LYS CD C 28.300 . 1 363 74 40 LYS CE C 40.800 . 1 364 74 40 LYS CG C 23.500 . 1 365 74 40 LYS N N 118.573 . 1 366 75 41 GLU H H 7.111 . 1 367 75 41 GLU HA H 4.450 . 1 368 75 41 GLU HB2 H 2.200 . 2 369 75 41 GLU HB3 H 2.237 . 2 370 75 41 GLU HG2 H 2.370 . 2 371 75 41 GLU HG3 H 2.460 . 2 372 75 41 GLU CA C 56.260 . 1 373 75 41 GLU CB C 28.900 . 1 374 75 41 GLU CG C 34.360 . 1 375 75 41 GLU N N 117.503 . 1 376 76 42 MET H H 8.672 . 1 377 76 42 MET HA H 4.020 . 1 378 76 42 MET HB2 H 2.190 . 2 379 76 42 MET HB3 H 2.300 . 2 380 76 42 MET HE H 2.111 . 1 381 76 42 MET HG2 H 2.390 . 2 382 76 42 MET HG3 H 3.000 . 2 383 76 42 MET CA C 58.980 . 1 384 76 42 MET CB C 33.270 . 1 385 76 42 MET CE C 16.000 . 1 386 76 42 MET CG C 30.850 . 1 387 76 42 MET N N 121.435 . 1 388 77 43 VAL H H 8.703 . 1 389 77 43 VAL HA H 4.070 . 1 390 77 43 VAL HB H 2.400 . 1 391 77 43 VAL HG1 H 1.089 . 2 392 77 43 VAL HG2 H 1.150 . 2 393 77 43 VAL CA C 63.490 . 1 394 77 43 VAL CB C 30.570 . 1 395 77 43 VAL CG1 C 18.400 . 1 396 77 43 VAL CG2 C 20.110 . 1 397 77 43 VAL N N 117.135 . 1 398 78 44 LYS H H 7.475 . 1 399 78 44 LYS HA H 4.130 . 1 400 78 44 LYS HB2 H 1.950 . 2 401 78 44 LYS HB3 H 2.030 . 2 402 78 44 LYS HD2 H 1.790 . 2 403 78 44 LYS HD3 H 1.800 . 2 404 78 44 LYS HE2 H 2.960 . 2 405 78 44 LYS HE3 H 3.000 . 2 406 78 44 LYS HG2 H 1.450 . 2 407 78 44 LYS HG3 H 1.770 . 2 408 78 44 LYS CA C 57.760 . 1 409 78 44 LYS CB C 30.990 . 1 410 78 44 LYS CD C 28.700 . 1 411 78 44 LYS CE C 40.700 . 1 412 78 44 LYS CG C 24.700 . 1 413 78 44 LYS N N 124.308 . 1 414 79 45 SER H H 7.534 . 1 415 79 45 SER HA H 4.080 . 1 416 79 45 SER HB2 H 3.831 . 2 417 79 45 SER HB3 H 4.220 . 2 418 79 45 SER CA C 59.440 . 1 419 79 45 SER CB C 64.580 . 1 420 79 45 SER N N 114.575 . 1 421 80 46 LYS H H 7.822 . 1 422 80 46 LYS HA H 3.940 . 1 423 80 46 LYS HB2 H 2.060 . 2 424 80 46 LYS HB3 H 2.220 . 2 425 80 46 LYS HD2 H 1.670 . 2 426 80 46 LYS HD3 H 1.740 . 2 427 80 46 LYS HE2 H 3.020 . 2 428 80 46 LYS HE3 H 3.030 . 2 429 80 46 LYS HG2 H 1.380 . 2 430 80 46 LYS HG3 H 1.460 . 2 431 80 46 LYS CA C 57.020 . 1 432 80 46 LYS CB C 27.840 . 1 433 80 46 LYS CD C 27.500 . 1 434 80 46 LYS CE C 40.700 . 1 435 80 46 LYS CG C 23.500 . 1 436 80 46 LYS N N 114.855 . 1 437 81 47 LEU H H 7.486 . 1 438 81 47 LEU HA H 4.490 . 1 439 81 47 LEU HB2 H 1.050 . 2 440 81 47 LEU HB3 H 1.540 . 2 441 81 47 LEU HD1 H 0.860 . 2 442 81 47 LEU HD2 H 0.925 . 2 443 81 47 LEU HG H 1.570 . 1 444 81 47 LEU CA C 52.000 . 1 445 81 47 LEU CB C 40.400 . 1 446 81 47 LEU CD1 C 25.000 . 1 447 81 47 LEU CD2 C 22.300 . 1 448 81 47 LEU CG C 25.900 . 1 449 81 47 LEU N N 122.848 . 1 450 82 48 PRO HA H 4.520 . 1 451 82 48 PRO HB2 H 1.890 . 2 452 82 48 PRO HB3 H 2.560 . 2 453 82 48 PRO HD2 H 3.330 . 2 454 82 48 PRO HD3 H 3.970 . 2 455 82 48 PRO HG2 H 2.080 . 2 456 82 48 PRO HG3 H 2.157 . 2 457 82 48 PRO CA C 60.910 . 1 458 82 48 PRO CB C 31.550 . 1 459 82 48 PRO CD C 48.820 . 1 460 82 48 PRO CG C 26.400 . 1 461 83 49 ASN H H 7.580 . 1 462 83 49 ASN HA H 4.270 . 1 463 83 49 ASN HB2 H 2.900 . 2 464 83 49 ASN HB3 H 2.900 . 2 465 83 49 ASN HD21 H 7.686 . 2 466 83 49 ASN HD22 H 6.970 . 2 467 83 49 ASN CA C 56.000 . 1 468 83 49 ASN CB C 36.900 . 1 469 83 49 ASN ND2 N 115.261 . 1 470 84 50 THR H H 7.260 . 1 471 84 50 THR HA H 4.020 . 1 472 84 50 THR HB H 4.157 . 1 473 84 50 THR HG2 H 1.330 . 1 474 84 50 THR CA C 63.474 . 1 475 84 50 THR CB C 66.850 . 1 476 84 50 THR CG2 C 21.190 . 1 477 85 51 VAL H H 6.887 . 1 478 85 51 VAL HA H 3.660 . 1 479 85 51 VAL HB H 2.125 . 1 480 85 51 VAL HG1 H 0.965 . 2 481 85 51 VAL HG2 H 1.095 . 2 482 85 51 VAL CA C 64.300 . 1 483 85 51 VAL CB C 30.500 . 1 484 85 51 VAL CG1 C 21.200 . 1 485 85 51 VAL CG2 C 21.280 . 1 486 85 51 VAL N N 125.031 . 1 487 86 52 LEU H H 8.006 . 1 488 86 52 LEU HA H 3.710 . 1 489 86 52 LEU HB2 H 0.489 . 2 490 86 52 LEU HB3 H 1.390 . 2 491 86 52 LEU HD1 H 0.746 . 2 492 86 52 LEU HD2 H 0.663 . 2 493 86 52 LEU HG H 1.430 . 1 494 86 52 LEU CA C 56.600 . 1 495 86 52 LEU CB C 38.940 . 1 496 86 52 LEU CD1 C 25.450 . 1 497 86 52 LEU CD2 C 21.820 . 1 498 86 52 LEU CG C 24.700 . 1 499 86 52 LEU N N 121.391 . 1 500 87 53 GLY H H 8.438 . 1 501 87 53 GLY HA2 H 3.850 . 2 502 87 53 GLY HA3 H 3.990 . 2 503 87 53 GLY CA C 46.200 . 1 504 87 53 GLY N N 108.191 . 1 505 88 54 LYS H H 7.300 . 1 506 88 54 LYS HA H 4.130 . 1 507 88 54 LYS HB2 H 1.940 . 2 508 88 54 LYS HB3 H 2.037 . 2 509 88 54 LYS HD2 H 1.677 . 2 510 88 54 LYS HD3 H 1.699 . 2 511 88 54 LYS HE2 H 2.960 . 2 512 88 54 LYS HE3 H 2.910 . 2 513 88 54 LYS HG2 H 1.450 . 2 514 88 54 LYS HG3 H 1.629 . 2 515 88 54 LYS CA C 57.890 . 1 516 88 54 LYS CB C 31.000 . 1 517 88 54 LYS CD C 28.100 . 1 518 88 54 LYS CE C 40.700 . 1 519 88 54 LYS CG C 24.100 . 1 520 88 54 LYS N N 125.192 . 1 521 89 55 ILE H H 8.055 . 1 522 89 55 ILE HA H 3.476 . 1 523 89 55 ILE HB H 1.882 . 1 524 89 55 ILE HD1 H 0.636 . 1 525 89 55 ILE HG12 H 0.730 . 1 526 89 55 ILE HG13 H 1.920 . 1 527 89 55 ILE HG2 H 0.918 . 2 528 89 55 ILE CA C 65.360 . 1 529 89 55 ILE CB C 36.300 . 1 530 89 55 ILE CD1 C 12.780 . 1 531 89 55 ILE CG1 C 30.070 . 2 532 89 55 ILE CG2 C 16.220 . 1 533 89 55 ILE N N 122.309 . 1 534 90 56 TRP H H 8.749 . 1 535 90 56 TRP HA H 3.880 . 1 536 90 56 TRP HB2 H 3.390 . 2 537 90 56 TRP HB3 H 3.580 . 2 538 90 56 TRP HD1 H 7.140 . 1 539 90 56 TRP HE1 H 10.394 . 3 540 90 56 TRP HE3 H 7.370 . 3 541 90 56 TRP HH2 H 6.800 . 1 542 90 56 TRP HZ2 H 7.200 . 3 543 90 56 TRP HZ3 H 6.870 . 3 544 90 56 TRP CA C 60.260 . 1 545 90 56 TRP CB C 27.660 . 1 546 90 56 TRP CD1 C 123.670 . 3 547 90 56 TRP CE3 C 115.040 . 3 548 90 56 TRP CH2 C 119.900 . 1 549 90 56 TRP CZ2 C 111.300 . 3 550 90 56 TRP CZ3 C 118.050 . 3 551 90 56 TRP N N 122.116 . 1 552 90 56 TRP NE1 N 132.535 . 1 553 91 57 LYS H H 7.581 . 1 554 91 57 LYS HA H 3.910 . 1 555 91 57 LYS HB2 H 1.940 . 2 556 91 57 LYS HB3 H 2.010 . 2 557 91 57 LYS HD2 H 1.760 . 2 558 91 57 LYS HD3 H 1.790 . 2 559 91 57 LYS HE2 H 2.900 . 2 560 91 57 LYS HE3 H 3.057 . 2 561 91 57 LYS HG2 H 1.580 . 2 562 91 57 LYS HG3 H 1.750 . 2 563 91 57 LYS CA C 57.790 . 1 564 91 57 LYS CB C 31.300 . 1 565 91 57 LYS CD C 28.100 . 1 566 91 57 LYS CE C 40.700 . 1 567 91 57 LYS CG C 24.200 . 1 568 91 57 LYS N N 116.341 . 1 569 92 58 LEU H H 7.580 . 1 570 92 58 LEU HA H 4.000 . 1 571 92 58 LEU HB2 H 1.090 . 2 572 92 58 LEU HB3 H 1.990 . 2 573 92 58 LEU HD1 H 0.866 . 2 574 92 58 LEU HD2 H 0.692 . 2 575 92 58 LEU HG H 1.805 . 1 576 92 58 LEU CA C 55.780 . 1 577 92 58 LEU CB C 42.570 . 1 578 92 58 LEU CD1 C 25.280 . 1 579 92 58 LEU CD2 C 21.370 . 1 580 92 58 LEU CG C 25.890 . 1 581 92 58 LEU N N 119.793 . 1 582 93 59 ALA H H 8.157 . 1 583 93 59 ALA HA H 4.130 . 1 584 93 59 ALA HB H 1.200 . 1 585 93 59 ALA CA C 52.400 . 1 586 93 59 ALA CB C 17.560 . 1 587 93 59 ALA N N 120.126 . 1 588 94 60 ASP H H 7.499 . 1 589 94 60 ASP HA H 4.550 . 1 590 94 60 ASP HB2 H 1.210 . 2 591 94 60 ASP HB3 H 2.250 . 2 592 94 60 ASP CA C 50.380 . 1 593 94 60 ASP CB C 35.220 . 1 594 94 60 ASP N N 115.431 . 1 595 95 61 VAL H H 8.352 . 1 596 95 61 VAL HA H 3.510 . 1 597 95 61 VAL HB H 1.820 . 1 598 95 61 VAL HG1 H 0.941 . 2 599 95 61 VAL HG2 H 1.078 . 2 600 95 61 VAL CA C 64.360 . 1 601 95 61 VAL CB C 31.330 . 1 602 95 61 VAL CG1 C 20.700 . 1 603 95 61 VAL CG2 C 21.300 . 1 604 95 61 VAL N N 129.573 . 1 605 96 62 ASP H H 7.927 . 1 606 96 62 ASP HA H 4.540 . 1 607 96 62 ASP HB2 H 2.320 . 2 608 96 62 ASP HB3 H 3.140 . 2 609 96 62 ASP CA C 51.630 . 1 610 96 62 ASP CB C 38.300 . 1 611 96 62 ASP N N 115.789 . 1 612 97 63 LYS H H 7.551 . 1 613 97 63 LYS HA H 3.880 . 1 614 97 63 LYS HB2 H 1.950 . 2 615 97 63 LYS HB3 H 1.990 . 2 616 97 63 LYS HD2 H 1.650 . 2 617 97 63 LYS HD3 H 1.760 . 2 618 97 63 LYS HE2 H 3.030 . 2 619 97 63 LYS HE3 H 3.030 . 2 620 97 63 LYS HG2 H 1.380 . 2 621 97 63 LYS HG3 H 1.380 . 2 622 97 63 LYS CA C 56.450 . 1 623 97 63 LYS CB C 28.000 . 1 624 97 63 LYS CD C 28.000 . 1 625 97 63 LYS CE C 41.500 . 1 626 97 63 LYS CG C 23.400 . 1 627 97 63 LYS N N 115.740 . 1 628 98 64 ASP H H 8.363 . 1 629 98 64 ASP HA H 4.660 . 1 630 98 64 ASP HB2 H 2.450 . 2 631 98 64 ASP HB3 H 3.000 . 2 632 98 64 ASP CA C 52.060 . 1 633 98 64 ASP CB C 39.500 . 1 634 98 64 ASP N N 120.463 . 1 635 99 65 GLY H H 10.672 . 1 636 99 65 GLY HA2 H 3.910 . 2 637 99 65 GLY HA3 H 4.320 . 2 638 99 65 GLY CA C 45.160 . 1 639 99 65 GLY N N 115.823 . 1 640 100 66 LEU H H 8.127 . 1 641 100 66 LEU HA H 5.150 . 1 642 100 66 LEU HB2 H 1.526 . 2 643 100 66 LEU HB3 H 1.680 . 2 644 100 66 LEU HD1 H 0.829 . 2 645 100 66 LEU HD2 H 0.893 . 2 646 100 66 LEU HG H 1.560 . 1 647 100 66 LEU CA C 52.200 . 1 648 100 66 LEU CB C 44.490 . 1 649 100 66 LEU CD1 C 24.860 . 1 650 100 66 LEU CD2 C 23.500 . 1 651 100 66 LEU CG C 26.520 . 1 652 100 66 LEU N N 123.135 . 1 653 101 67 LEU H H 8.729 . 1 654 101 67 LEU HA H 5.810 . 1 655 101 67 LEU HB2 H 1.580 . 2 656 101 67 LEU HB3 H 1.910 . 2 657 101 67 LEU HD1 H 0.908 . 2 658 101 67 LEU HD2 H 0.069 . 2 659 101 67 LEU HG H 1.600 . 1 660 101 67 LEU CA C 51.600 . 1 661 101 67 LEU CB C 42.100 . 1 662 101 67 LEU CD1 C 25.730 . 1 663 101 67 LEU CD2 C 19.920 . 1 664 101 67 LEU CG C 25.080 . 1 665 101 67 LEU N N 121.189 . 1 666 102 68 ASP H H 9.236 . 1 667 102 68 ASP HA H 5.620 . 1 668 102 68 ASP HB2 H 2.590 . 2 669 102 68 ASP HB3 H 3.290 . 2 670 102 68 ASP CA C 51.160 . 1 671 102 68 ASP CB C 39.750 . 1 672 102 68 ASP N N 124.386 . 1 673 103 69 ASP H H 8.539 . 1 674 103 69 ASP HA H 2.830 . 1 675 103 69 ASP HB2 H 1.730 . 2 676 103 69 ASP HB3 H 2.080 . 2 677 103 69 ASP CA C 56.160 . 1 678 103 69 ASP CB C 37.160 . 1 679 103 69 ASP N N 117.423 . 1 680 104 70 GLU H H 7.997 . 1 681 104 70 GLU HA H 4.075 . 1 682 104 70 GLU HB2 H 1.830 . 2 683 104 70 GLU HB3 H 2.140 . 2 684 104 70 GLU HG2 H 2.010 . 2 685 104 70 GLU HG3 H 2.520 . 2 686 104 70 GLU CA C 58.950 . 1 687 104 70 GLU CB C 29.134 . 1 688 104 70 GLU CG C 36.300 . 1 689 104 70 GLU N N 124.895 . 1 690 105 71 GLU H H 8.742 . 1 691 105 71 GLU HA H 4.048 . 1 692 105 71 GLU HB2 H 2.240 . 2 693 105 71 GLU HB3 H 2.470 . 2 694 105 71 GLU HG2 H 2.340 . 2 695 105 71 GLU HG3 H 2.920 . 2 696 105 71 GLU CA C 58.570 . 1 697 105 71 GLU CB C 30.270 . 1 698 105 71 GLU CG C 36.280 . 1 699 105 71 GLU N N 123.465 . 1 700 106 72 PHE H H 9.426 . 1 701 106 72 PHE HA H 4.260 . 1 702 106 72 PHE HB2 H 3.030 . 2 703 106 72 PHE HB3 H 3.217 . 2 704 106 72 PHE HD1 H 7.610 . 3 705 106 72 PHE HD2 H 7.610 . 3 706 106 72 PHE HE1 H 7.450 . 3 707 106 72 PHE HE2 H 7.450 . 3 708 106 72 PHE HZ H 7.280 . 1 709 106 72 PHE CA C 60.000 . 1 710 106 72 PHE CB C 38.440 . 1 711 106 72 PHE CD1 C 129.970 . 3 712 106 72 PHE CD2 C 129.970 . 3 713 106 72 PHE CE1 C 127.800 . 3 714 106 72 PHE CE2 C 127.800 . 3 715 106 72 PHE CZ C 126.100 . 1 716 106 72 PHE N N 120.806 . 1 717 107 73 ALA H H 8.097 . 1 718 107 73 ALA HA H 3.790 . 1 719 107 73 ALA HB H 1.842 . 1 720 107 73 ALA CA C 54.010 . 1 721 107 73 ALA CB C 16.691 . 1 722 107 73 ALA N N 126.845 . 1 723 108 74 LEU H H 8.431 . 1 724 108 74 LEU HA H 4.065 . 1 725 108 74 LEU HB2 H 1.810 . 2 726 108 74 LEU HB3 H 2.600 . 2 727 108 74 LEU HD1 H 1.220 . 2 728 108 74 LEU HD2 H 1.187 . 2 729 108 74 LEU HG H 1.566 . 1 730 108 74 LEU CA C 56.811 . 1 731 108 74 LEU CB C 41.090 . 1 732 108 74 LEU CD1 C 26.200 . 1 733 108 74 LEU CD2 C 22.260 . 1 734 108 74 LEU CG C 26.400 . 1 735 108 74 LEU N N 121.250 . 1 736 109 75 ALA H H 8.663 . 1 737 109 75 ALA HA H 3.660 . 1 738 109 75 ALA HB H 1.210 . 1 739 109 75 ALA CA C 54.220 . 1 740 109 75 ALA CB C 15.220 . 1 741 109 75 ALA N N 122.981 . 1 742 110 76 ASN H H 7.249 . 1 743 110 76 ASN HA H 3.800 . 1 744 110 76 ASN HB2 H 1.280 . 2 745 110 76 ASN HB3 H 1.420 . 2 746 110 76 ASN HD21 H 5.785 . 2 747 110 76 ASN HD22 H 3.942 . 2 748 110 76 ASN CA C 55.500 . 1 749 110 76 ASN CB C 36.610 . 1 750 110 76 ASN N N 115.681 . 1 751 110 76 ASN ND2 N 109.957 . 1 752 111 77 HIS H H 8.345 . 1 753 111 77 HIS HA H 4.092 . 1 754 111 77 HIS HB2 H 3.040 . 2 755 111 77 HIS HB3 H 3.290 . 2 756 111 77 HIS HD2 H 6.280 . 3 757 111 77 HIS HE1 H 7.560 . 3 758 111 77 HIS CA C 59.180 . 1 759 111 77 HIS CB C 30.420 . 1 760 111 77 HIS CD2 C 114.100 . 1 761 111 77 HIS CE1 C 135.180 . 1 762 111 77 HIS N N 124.686 . 1 763 112 78 LEU H H 8.290 . 1 764 112 78 LEU HA H 3.830 . 1 765 112 78 LEU HB2 H 1.110 . 2 766 112 78 LEU HB3 H 2.050 . 2 767 112 78 LEU HD1 H 0.840 . 2 768 112 78 LEU HD2 H 0.750 . 2 769 112 78 LEU HG H 1.970 . 1 770 112 78 LEU CA C 56.115 . 1 771 112 78 LEU CB C 41.000 . 1 772 112 78 LEU CD1 C 26.580 . 1 773 112 78 LEU CD2 C 19.900 . 1 774 112 78 LEU CG C 25.800 . 1 775 112 78 LEU N N 119.085 . 1 776 113 79 ILE H H 7.792 . 1 777 113 79 ILE HA H 3.290 . 1 778 113 79 ILE HB H 1.920 . 1 779 113 79 ILE HD1 H 0.796 . 1 780 113 79 ILE HG12 H 0.710 . 1 781 113 79 ILE HG13 H 1.970 . 1 782 113 79 ILE HG2 H 0.910 . 2 783 113 79 ILE CA C 65.020 . 1 784 113 79 ILE CB C 36.730 . 1 785 113 79 ILE CD1 C 12.300 . 1 786 113 79 ILE CG1 C 29.370 . 2 787 113 79 ILE CG2 C 16.220 . 1 788 113 79 ILE N N 121.304 . 1 789 114 80 LYS H H 7.537 . 1 790 114 80 LYS HA H 3.830 . 1 791 114 80 LYS HB2 H 1.840 . 2 792 114 80 LYS HB3 H 1.950 . 2 793 114 80 LYS HD2 H 1.650 . 2 794 114 80 LYS HD3 H 1.680 . 2 795 114 80 LYS HE2 H 2.980 . 2 796 114 80 LYS HE3 H 3.033 . 2 797 114 80 LYS HG2 H 1.220 . 2 798 114 80 LYS HG3 H 1.500 . 2 799 114 80 LYS CA C 58.970 . 1 800 114 80 LYS CB C 30.470 . 1 801 114 80 LYS CD C 28.200 . 1 802 114 80 LYS CE C 41.200 . 1 803 114 80 LYS CG C 23.500 . 1 804 114 80 LYS N N 122.150 . 1 805 115 81 VAL H H 8.110 . 1 806 115 81 VAL HA H 3.740 . 1 807 115 81 VAL HB H 2.066 . 1 808 115 81 VAL HG1 H 0.718 . 2 809 115 81 VAL HG2 H 0.688 . 2 810 115 81 VAL CA C 64.500 . 1 811 115 81 VAL CB C 30.050 . 1 812 115 81 VAL CG1 C 20.100 . 1 813 115 81 VAL CG2 C 19.970 . 1 814 115 81 VAL N N 118.999 . 1 815 116 82 LYS H H 7.853 . 1 816 116 82 LYS HA H 4.550 . 1 817 116 82 LYS HB2 H 1.740 . 2 818 116 82 LYS HB3 H 2.110 . 2 819 116 82 LYS HD2 H 1.700 . 2 820 116 82 LYS HD3 H 2.010 . 2 821 116 82 LYS HE2 H 3.020 . 2 822 116 82 LYS HE3 H 2.960 . 2 823 116 82 LYS HG2 H 1.280 . 2 824 116 82 LYS HG3 H 1.490 . 2 825 116 82 LYS CA C 56.000 . 1 826 116 82 LYS CB C 30.340 . 1 827 116 82 LYS CD C 26.600 . 1 828 116 82 LYS CE C 40.800 . 1 829 116 82 LYS CG C 23.500 . 1 830 116 82 LYS N N 123.030 . 1 831 117 83 LEU H H 8.959 . 1 832 117 83 LEU HA H 4.090 . 1 833 117 83 LEU HB2 H 1.460 . 2 834 117 83 LEU HB3 H 2.081 . 2 835 117 83 LEU HD1 H 0.875 . 2 836 117 83 LEU HD2 H 0.943 . 2 837 117 83 LEU HG H 1.860 . 1 838 117 83 LEU CA C 56.620 . 1 839 117 83 LEU CB C 40.361 . 1 840 117 83 LEU CD1 C 25.000 . 1 841 117 83 LEU CD2 C 21.200 . 1 842 117 83 LEU CG C 25.800 . 1 843 117 83 LEU N N 125.378 . 1 844 118 84 GLU H H 7.817 . 1 845 118 84 GLU HA H 4.164 . 1 846 118 84 GLU HB2 H 2.170 . 2 847 118 84 GLU HB3 H 2.170 . 2 848 118 84 GLU HG2 H 2.260 . 2 849 118 84 GLU HG3 H 2.540 . 2 850 118 84 GLU CA C 55.600 . 1 851 118 84 GLU CB C 28.600 . 1 852 118 84 GLU CG C 35.500 . 1 853 118 84 GLU N N 119.766 . 1 854 119 85 GLY H H 7.862 . 1 855 119 85 GLY HA2 H 3.650 . 2 856 119 85 GLY HA3 H 4.140 . 2 857 119 85 GLY CA C 43.690 . 1 858 119 85 GLY N N 107.902 . 1 859 120 86 HIS H H 7.714 . 1 860 120 86 HIS HA H 4.680 . 1 861 120 86 HIS HB2 H 2.880 . 2 862 120 86 HIS HB3 H 3.060 . 2 863 120 86 HIS HD2 H 7.190 . 3 864 120 86 HIS HE1 H 8.750 . 3 865 120 86 HIS CA C 53.900 . 1 866 120 86 HIS CB C 29.390 . 1 867 120 86 HIS CD2 C 116.300 . 1 868 120 86 HIS N N 122.124 . 1 869 121 87 GLU H H 8.491 . 1 870 121 87 GLU HA H 4.310 . 1 871 121 87 GLU HB2 H 1.860 . 2 872 121 87 GLU HB3 H 1.980 . 2 873 121 87 GLU HG2 H 2.300 . 2 874 121 87 GLU HG3 H 2.400 . 2 875 121 87 GLU CA C 54.000 . 1 876 121 87 GLU CB C 29.120 . 1 877 121 87 GLU CG C 34.610 . 1 878 121 87 GLU N N 121.826 . 1 879 122 88 LEU H H 8.672 . 1 880 122 88 LEU HA H 4.420 . 1 881 122 88 LEU HB2 H 1.182 . 2 882 122 88 LEU HB3 H 1.670 . 2 883 122 88 LEU HD1 H 0.807 . 2 884 122 88 LEU HD2 H 0.869 . 2 885 122 88 LEU HG H 1.680 . 1 886 122 88 LEU CA C 50.777 . 1 887 122 88 LEU CB C 39.986 . 1 888 122 88 LEU CD1 C 22.200 . 1 889 122 88 LEU CD2 C 25.300 . 1 890 122 88 LEU CG C 25.660 . 1 891 122 88 LEU N N 125.316 . 1 892 123 89 PRO HA H 4.570 . 1 893 123 89 PRO HB2 H 2.290 . 2 894 123 89 PRO HB3 H 2.330 . 2 895 123 89 PRO HD2 H 3.330 . 2 896 123 89 PRO HD3 H 3.750 . 2 897 123 89 PRO HG2 H 1.850 . 2 898 123 89 PRO HG3 H 1.930 . 2 899 123 89 PRO CA C 60.690 . 1 900 123 89 PRO CB C 30.320 . 1 901 123 89 PRO CD C 47.740 . 1 902 123 89 PRO CG C 25.070 . 1 903 124 90 ALA H H 8.451 . 1 904 124 90 ALA HA H 4.080 . 1 905 124 90 ALA HB H 1.400 . 1 906 124 90 ALA CA C 52.700 . 1 907 124 90 ALA CB C 17.760 . 1 908 124 90 ALA N N 123.603 . 1 909 125 91 ASP H H 7.473 . 1 910 125 91 ASP HA H 4.640 . 1 911 125 91 ASP HB2 H 2.350 . 2 912 125 91 ASP HB3 H 2.520 . 2 913 125 91 ASP CA C 50.340 . 1 914 125 91 ASP CB C 42.620 . 1 915 125 91 ASP N N 115.317 . 1 916 126 92 LEU H H 8.883 . 1 917 126 92 LEU HA H 4.200 . 1 918 126 92 LEU HB2 H 1.560 . 2 919 126 92 LEU HB3 H 1.560 . 2 920 126 92 LEU HD1 H 0.899 . 2 921 126 92 LEU HD2 H 0.986 . 2 922 126 92 LEU HG H 1.720 . 1 923 126 92 LEU CA C 51.930 . 1 924 126 92 LEU CB C 41.032 . 1 925 126 92 LEU CD1 C 24.200 . 1 926 126 92 LEU CD2 C 24.700 . 1 927 126 92 LEU CG C 25.070 . 1 928 126 92 LEU N N 125.329 . 1 929 127 93 PRO HA H 4.870 . 1 930 127 93 PRO HB2 H 1.950 . 2 931 127 93 PRO HB3 H 2.500 . 2 932 127 93 PRO HD2 H 3.500 . 2 933 127 93 PRO HD3 H 4.110 . 2 934 127 93 PRO HG2 H 1.560 . 2 935 127 93 PRO HG3 H 2.140 . 2 936 127 93 PRO CA C 59.820 . 1 937 127 93 PRO CB C 29.800 . 1 938 127 93 PRO CD C 49.200 . 1 939 127 93 PRO CG C 25.850 . 1 940 128 94 PRO HA H 4.230 . 1 941 128 94 PRO HB2 H 2.070 . 2 942 128 94 PRO HB3 H 2.450 . 2 943 128 94 PRO HD2 H 3.880 . 2 944 128 94 PRO HD3 H 3.930 . 2 945 128 94 PRO HG2 H 2.140 . 2 946 128 94 PRO HG3 H 2.260 . 2 947 128 94 PRO CA C 64.560 . 1 948 128 94 PRO CB C 30.900 . 1 949 128 94 PRO CD C 49.230 . 1 950 128 94 PRO CG C 26.370 . 1 951 129 95 HIS H H 7.922 . 1 952 129 95 HIS HA H 4.650 . 1 953 129 95 HIS HB2 H 3.070 . 2 954 129 95 HIS HB3 H 3.440 . 2 955 129 95 HIS HD2 H 6.900 . 3 956 129 95 HIS HE1 H 7.800 . 3 957 129 95 HIS CA C 56.810 . 1 958 129 95 HIS CB C 28.100 . 1 959 129 95 HIS CD2 C 114.660 . 1 960 129 95 HIS CE1 C 135.970 . 1 961 129 95 HIS N N 112.757 . 1 962 130 96 LEU H H 7.709 . 1 963 130 96 LEU HA H 4.646 . 1 964 130 96 LEU HB2 H 1.470 . 2 965 130 96 LEU HB3 H 1.700 . 2 966 130 96 LEU HD1 H 0.794 . 2 967 130 96 LEU HD2 H 0.620 . 2 968 130 96 LEU HG H 0.973 . 1 969 130 96 LEU CA C 53.100 . 1 970 130 96 LEU CB C 42.210 . 1 971 130 96 LEU CD1 C 23.500 . 1 972 130 96 LEU CD2 C 22.270 . 1 973 130 96 LEU CG C 25.400 . 1 974 130 96 LEU N N 121.128 . 1 975 131 97 VAL H H 7.184 . 1 976 131 97 VAL HA H 3.730 . 1 977 131 97 VAL HB H 1.970 . 1 978 131 97 VAL HG1 H 0.822 . 2 979 131 97 VAL HG2 H 1.004 . 2 980 131 97 VAL CA C 60.520 . 1 981 131 97 VAL CB C 31.310 . 1 982 131 97 VAL CG1 C 19.500 . 1 983 131 97 VAL CG2 C 21.330 . 1 984 131 97 VAL N N 125.572 . 1 985 132 98 PRO HA H 2.700 . 1 986 132 98 PRO HB2 H 1.420 . 2 987 132 98 PRO HB3 H 1.850 . 2 988 132 98 PRO HD2 H 3.270 . 2 989 132 98 PRO HD3 H 4.300 . 2 990 132 98 PRO HG2 H 1.770 . 2 991 132 98 PRO HG3 H 1.860 . 2 992 132 98 PRO CA C 59.400 . 1 993 132 98 PRO CB C 30.250 . 1 994 132 98 PRO CD C 49.500 . 1 995 132 98 PRO CG C 26.200 . 1 996 133 99 PRO HA H 3.620 . 1 997 133 99 PRO HB2 H 1.880 . 2 998 133 99 PRO HB3 H 2.172 . 2 999 133 99 PRO HD2 H 1.940 . 2 1000 133 99 PRO HD3 H 2.170 . 2 1001 133 99 PRO HG2 H 1.480 . 2 1002 133 99 PRO HG3 H 1.770 . 2 1003 133 99 PRO CA C 64.760 . 1 1004 133 99 PRO CB C 30.770 . 1 1005 133 99 PRO CD C 47.500 . 1 1006 133 99 PRO CG C 26.100 . 1 1007 134 100 SER H H 9.195 . 1 1008 134 100 SER HA H 4.150 . 1 1009 134 100 SER HB2 H 3.890 . 2 1010 134 100 SER HB3 H 3.900 . 2 1011 134 100 SER CA C 59.660 . 1 1012 134 100 SER CB C 61.320 . 1 1013 134 100 SER N N 115.005 . 1 1014 135 101 LYS H H 7.867 . 1 1015 135 101 LYS HA H 4.480 . 1 1016 135 101 LYS HB2 H 1.530 . 2 1017 135 101 LYS HB3 H 1.990 . 2 1018 135 101 LYS HD2 H 1.385 . 2 1019 135 101 LYS HD3 H 1.520 . 2 1020 135 101 LYS HE2 H 3.250 . 2 1021 135 101 LYS HE3 H 2.730 . 2 1022 135 101 LYS HG2 H 1.120 . 2 1023 135 101 LYS HG3 H 1.420 . 2 1024 135 101 LYS CA C 52.490 . 1 1025 135 101 LYS CB C 30.600 . 1 1026 135 101 LYS CD C 26.600 . 1 1027 135 101 LYS CE C 40.700 . 1 1028 135 101 LYS CG C 23.760 . 1 1029 135 101 LYS N N 121.053 . 1 1030 136 102 ARG H H 7.077 . 1 1031 136 102 ARG HA H 4.110 . 1 1032 136 102 ARG HB2 H 1.617 . 2 1033 136 102 ARG HB3 H 1.770 . 2 1034 136 102 ARG HD2 H 2.980 . 2 1035 136 102 ARG HD3 H 3.180 . 2 1036 136 102 ARG HG2 H 1.470 . 2 1037 136 102 ARG HG3 H 1.740 . 2 1038 136 102 ARG HH11 H 6.400 . 1 1039 136 102 ARG HH12 H 7.160 . 1 1040 136 102 ARG HH21 H 6.327 . 1 1041 136 102 ARG HH22 H 7.160 . 1 1042 136 102 ARG CA C 55.440 . 1 1043 136 102 ARG CB C 29.100 . 1 1044 136 102 ARG CD C 42.600 . 1 1045 136 102 ARG CG C 26.100 . 1 1046 136 102 ARG N N 121.939 . 1 1047 137 103 ARG H H 8.289 . 1 1048 137 103 ARG HA H 4.300 . 1 1049 137 103 ARG HB2 H 1.710 . 2 1050 137 103 ARG HB3 H 1.780 . 2 1051 137 103 ARG HD2 H 2.960 . 2 1052 137 103 ARG HD3 H 3.170 . 2 1053 137 103 ARG HG2 H 1.510 . 2 1054 137 103 ARG HG3 H 1.580 . 2 1055 137 103 ARG HH11 H 6.400 . 1 1056 137 103 ARG HH12 H 7.160 . 1 1057 137 103 ARG HH21 H 6.400 . 1 1058 137 103 ARG HH22 H 7.160 . 1 1059 137 103 ARG CA C 54.100 . 1 1060 137 103 ARG CB C 29.700 . 1 1061 137 103 ARG CD C 41.800 . 1 1062 137 103 ARG CG C 25.700 . 1 1063 137 103 ARG N N 123.504 . 1 1064 138 104 HIS H H 8.370 . 1 1065 138 104 HIS HA H 4.678 . 1 1066 138 104 HIS HB2 H 3.110 . 2 1067 138 104 HIS HB3 H 3.180 . 2 1068 138 104 HIS HD2 H 7.130 . 3 1069 138 104 HIS HE1 H 8.550 . 3 1070 138 104 HIS CA C 54.110 . 1 1071 138 104 HIS CB C 28.730 . 1 1072 138 104 HIS CD2 C 117.000 . 1 1073 139 105 GLU H H 8.140 . 1 1074 139 105 GLU HA H 4.120 . 1 1075 139 105 GLU HB2 H 1.880 . 2 1076 139 105 GLU HB3 H 2.072 . 2 1077 139 105 GLU HG2 H 2.163 . 2 1078 139 105 GLU HG3 H 2.170 . 2 1079 139 105 GLU CA C 56.630 . 1 1080 139 105 GLU CB C 29.712 . 1 1081 139 105 GLU CG C 35.200 . 1 1082 139 105 GLU N N 129.491 . 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRView stop_ loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' '2D 13CFiltered-13CfilteredNOESY' '2D 13C-filtered-15N editedNOESY' '2D 15N filtered Noesy' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_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 1 143 1 PHE HA H 4.490 . 1 2 143 1 PHE HB2 H 2.760 . 2 3 144 2 ASN HA H 3.960 . 1 4 144 2 ASN HB2 H 2.930 . 2 5 144 2 ASN HB3 H 3.100 . 2 6 144 2 ASN HD21 H 7.295 . 2 7 144 2 ASN HD22 H 7.082 . 2 8 145 3 TYR H H 8.200 . 1 9 145 3 TYR HA H 4.480 . 1 10 145 3 TYR HB2 H 3.000 . 2 11 145 3 TYR HB3 H 3.080 . 2 12 145 3 TYR HD1 H 7.160 . 3 13 145 3 TYR HD2 H 7.160 . 3 14 145 3 TYR HE1 H 6.820 . 3 15 145 3 TYR HE2 H 6.820 . 3 16 146 4 GLU H H 8.360 . 1 17 146 4 GLU HA H 4.280 . 1 18 146 4 GLU HB2 H 1.925 . 2 19 146 4 GLU HB3 H 2.020 . 2 20 146 4 GLU HG2 H 2.220 . 2 21 147 5 SER H H 8.260 . 1 22 147 5 SER HA H 4.480 . 1 23 147 5 SER HB2 H 3.830 . 2 24 147 5 SER HB3 H 3.900 . 2 25 148 6 THR H H 7.870 . 1 26 148 6 THR HA H 4.300 . 1 27 148 6 THR HB H 4.330 . 1 28 148 6 THR HG2 H 1.190 . 1 29 149 7 ASP H H 8.210 . 1 30 149 7 ASP HA H 4.680 . 1 31 149 7 ASP HB2 H 2.730 . 2 32 149 7 ASP HB3 H 2.537 . 2 33 150 8 PRO HA H 4.280 . 1 34 150 8 PRO HB2 H 1.450 . 2 35 150 8 PRO HB3 H 1.450 . 2 36 150 8 PRO HD2 H 3.440 . 2 37 150 8 PRO HD3 H 3.600 . 2 38 150 8 PRO HG2 H 1.660 . 2 39 150 8 PRO HG3 H 2.020 . 2 40 151 9 PHE H H 8.350 . 1 41 151 9 PHE HA H 4.540 . 1 42 151 9 PHE HB2 H 3.060 . 2 43 151 9 PHE HB3 H 3.200 . 2 44 151 9 PHE HD1 H 7.260 . 3 45 151 9 PHE HD2 H 7.260 . 3 46 151 9 PHE HE1 H 7.320 . 3 47 151 9 PHE HE2 H 7.320 . 3 48 151 9 PHE HZ H 7.260 . 1 49 152 10 THR H H 7.740 . 1 50 152 10 THR HA H 4.228 . 1 51 152 10 THR HB H 4.127 . 1 52 152 10 THR HG2 H 1.180 . 1 53 153 11 ALA H H 8.150 . 1 54 153 11 ALA HA H 4.280 . 1 55 153 11 ALA HB H 1.340 . 1 56 154 12 LYS H H 7.900 . 1 57 154 12 LYS HA H 4.130 . 1 58 154 12 LYS HB2 H 1.650 . 2 59 154 12 LYS HB3 H 1.700 . 2 60 154 12 LYS HD2 H 1.650 . 2 61 154 12 LYS HD3 H 1.650 . 2 62 154 12 LYS HE2 H 2.980 . 2 63 154 12 LYS HE3 H 2.980 . 2 stop_ save_