data_16671 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Mechanism for the selective interaction of C-terminal EH-domain proteins with specific NPF-containing partners ; _BMRB_accession_number 16671 _BMRB_flat_file_name bmr16671.str _Entry_type original _Submission_date 2010-01-11 _Accession_date 2010-01-11 _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 SHARMA Mahak . . 3 JOVIC Marko . . 4 'PANAPAKKAM GIRIDHARAN' 'Sai Srnivas' . . 5 NASLAVSKY Naava . . 6 CAPLAN Steve . . 7 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" 697 "13C chemical shifts" 365 "15N chemical shifts" 92 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-04-09 update BMRB 'update ligand' 2010-06-03 update BMRB 'edit assembly name' 2010-03-19 update BMRB 'completed entry citation' 2010-02-23 original author 'original release' stop_ _Original_release_date 2015-04-09 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Mechanism for the Selective Interaction of C-terminal Eps15 Homology Domain Proteins with Specific Asn-Pro-Phe-containing Partners. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20106972 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kieken Fabien . . 2 Sharma Mahak . . 3 Jovic Marko . . 4 Giridharan 'Sai Srinivas Panapakkam' . . 5 Naslavsky Naava . . 6 Caplan Steve . . 7 Sorgen Paul L. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 285 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 8687 _Page_last 8694 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'EH-domain proteins with specific NPF-containing partners' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label EH_domain_of_EHD1 $EH_domain_of_EHD1 MICAL_L1_like_peptide $MICAL_L1_like_peptide 'Calcium ion' $entity_CA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_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 16180 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 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_MICAL_L1_like_peptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MICAL_L1_like_peptide _Molecular_mass 1419.530 _Mol_thiol_state unknown _Details . _Residue_count 15 _Mol_residue_sequence ; LESKPYNPFEEEEED ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 143 LEU 2 144 GLU 3 145 SER 4 146 LYS 5 147 PRO 6 148 TYR 7 149 ASN 8 150 PRO 9 151 PHE 10 152 GLU 11 153 GLU 12 154 GLU 13 155 GLU 14 156 GLU 15 157 ASP 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 $MICAL_L1_like_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 $MICAL_L1_like_peptide 'chemical synthesis' . . . . . 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]' $MICAL_L1_like_peptide 2 mM 'natural abundance' Tris 20 mM 'natural abundance' Kcl 100 mM 'natural abundance' Cac12 2 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 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 INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_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-15N_editedNOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C-filtered-15N editedNOESY' _Sample_label $sample_1 save_ save_2D_15N_filtered_Noesy_8 _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 . 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 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 EH_domain_of_EHD1 _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 40 6 ASP HA H 4.430 . 1 2 41 7 ASP H H 8.479 . 1 3 41 7 ASP HA H 4.640 . 1 4 41 7 ASP HB2 H 2.640 . 2 5 41 7 ASP HB3 H 2.640 . 2 6 41 7 ASP CA C 52.900 . 1 7 41 7 ASP CB C 39.760 . 1 8 41 7 ASP N N 124.447 . 1 9 42 8 VAL H H 7.916 . 1 10 42 8 VAL HA H 4.142 . 1 11 42 8 VAL HB H 2.050 . 1 12 42 8 VAL HG1 H 0.914 . 2 13 42 8 VAL HG2 H 0.917 . 2 14 42 8 VAL CA C 60.460 . 1 15 42 8 VAL CB C 31.579 . 1 16 42 8 VAL CG1 C 19.740 . 1 17 42 8 VAL CG2 C 19.000 . 1 18 42 8 VAL N N 120.853 . 1 19 43 9 GLU H H 8.476 . 1 20 43 9 GLU HA H 4.290 . 1 21 43 9 GLU HB2 H 2.000 . 2 22 43 9 GLU HB3 H 2.000 . 2 23 43 9 GLU HG2 H 2.170 . 2 24 43 9 GLU HG3 H 2.280 . 2 25 43 9 GLU CA C 55.300 . 1 26 43 9 GLU CB C 29.120 . 1 27 43 9 GLU CG C 34.800 . 1 28 43 9 GLU N N 127.650 . 1 29 44 10 TRP H H 8.839 . 1 30 44 10 TRP HA H 5.230 . 1 31 44 10 TRP HB2 H 2.870 . 2 32 44 10 TRP HB3 H 3.550 . 2 33 44 10 TRP HD1 H 7.490 . 1 34 44 10 TRP HE1 H 9.318 . 3 35 44 10 TRP HE3 H 7.700 . 3 36 44 10 TRP HH2 H 7.330 . 1 37 44 10 TRP HZ2 H 7.240 . 3 38 44 10 TRP HZ3 H 7.120 . 3 39 44 10 TRP CA C 54.430 . 1 40 44 10 TRP CB C 27.230 . 1 41 44 10 TRP CD1 C 123.390 . 3 42 44 10 TRP CE3 C 119.000 . 3 43 44 10 TRP CH2 C 121.500 . 1 44 44 10 TRP CZ2 C 109.500 . 3 45 44 10 TRP CZ3 C 118.100 . 3 46 44 10 TRP N N 126.378 . 1 47 45 11 VAL H H 9.230 . 1 48 45 11 VAL HA H 3.891 . 1 49 45 11 VAL HB H 2.140 . 1 50 45 11 VAL HG1 H 0.841 . 2 51 45 11 VAL HG2 H 0.827 . 2 52 45 11 VAL CA C 63.500 . 1 53 45 11 VAL CB C 30.420 . 1 54 45 11 VAL CG1 C 18.810 . 1 55 45 11 VAL CG2 C 19.500 . 1 56 45 11 VAL N N 131.353 . 1 57 46 12 VAL H H 5.030 . 1 58 46 12 VAL HA H 3.040 . 1 59 46 12 VAL HB H -1.240 . 1 60 46 12 VAL HG1 H -0.189 . 2 61 46 12 VAL HG2 H 0.531 . 2 62 46 12 VAL CA C 60.690 . 1 63 46 12 VAL CB C 29.280 . 1 64 46 12 VAL CG1 C 20.700 . 1 65 46 12 VAL CG2 C 22.050 . 1 66 47 13 GLY H H 7.300 . 1 67 47 13 GLY HA2 H 3.590 . 2 68 47 13 GLY HA3 H 4.180 . 2 69 47 13 GLY CA C 46.400 . 1 70 47 13 GLY N N 106.100 . 1 71 48 14 LYS H H 7.600 . 1 72 48 14 LYS HA H 4.066 . 1 73 48 14 LYS HB2 H 1.730 . 2 74 48 14 LYS HB3 H 1.840 . 2 75 48 14 LYS HD2 H 1.630 . 2 76 48 14 LYS HD3 H 1.630 . 2 77 48 14 LYS HE2 H 3.012 . 2 78 48 14 LYS HE3 H 3.012 . 2 79 48 14 LYS HG2 H 1.320 . 2 80 48 14 LYS HG3 H 1.360 . 2 81 48 14 LYS CA C 57.337 . 1 82 48 14 LYS CB C 30.490 . 1 83 48 14 LYS CD C 23.950 . 1 84 48 14 LYS CE C 40.700 . 1 85 48 14 LYS CG C 22.480 . 1 86 48 14 LYS N N 120.800 . 1 87 49 15 ASP H H 7.309 . 1 88 49 15 ASP HA H 4.770 . 1 89 49 15 ASP HB2 H 2.330 . 2 90 49 15 ASP HB3 H 2.330 . 2 91 49 15 ASP CA C 52.880 . 1 92 49 15 ASP CB C 41.910 . 1 93 49 15 ASP N N 118.000 . 1 94 50 16 LYS H H 7.506 . 1 95 50 16 LYS HA H 4.010 . 1 96 50 16 LYS HB2 H 1.700 . 2 97 50 16 LYS HB3 H 2.290 . 2 98 50 16 LYS HD2 H 1.830 . 2 99 50 16 LYS HD3 H 2.008 . 2 100 50 16 LYS HE2 H 2.820 . 2 101 50 16 LYS HE3 H 3.200 . 2 102 50 16 LYS HG2 H 1.520 . 2 103 50 16 LYS HG3 H 1.880 . 2 104 50 16 LYS CA C 60.180 . 1 105 50 16 LYS CB C 30.193 . 1 106 50 16 LYS CD C 29.600 . 1 107 50 16 LYS CE C 40.700 . 1 108 50 16 LYS CG C 24.640 . 1 109 50 16 LYS N N 123.633 . 1 110 51 17 PRO HA H 4.420 . 1 111 51 17 PRO HB2 H 1.820 . 2 112 51 17 PRO HB3 H 2.420 . 2 113 51 17 PRO HD2 H 3.420 . 2 114 51 17 PRO HD3 H 3.760 . 2 115 51 17 PRO HG2 H 2.000 . 2 116 51 17 PRO HG3 H 2.130 . 2 117 51 17 PRO CA C 65.660 . 1 118 51 17 PRO CB C 29.600 . 1 119 51 17 PRO CD C 48.600 . 1 120 51 17 PRO CG C 27.450 . 1 121 52 18 THR H H 7.285 . 1 122 52 18 THR HA H 3.977 . 1 123 52 18 THR HB H 3.920 . 1 124 52 18 THR HG2 H 1.120 . 1 125 52 18 THR CA C 64.330 . 1 126 52 18 THR CB C 67.170 . 1 127 52 18 THR CG2 C 20.300 . 1 128 52 18 THR N N 115.000 . 1 129 53 19 TYR H H 7.053 . 1 130 53 19 TYR HA H 4.728 . 1 131 53 19 TYR HB2 H 3.153 . 2 132 53 19 TYR HB3 H 3.270 . 2 133 53 19 TYR HD1 H 6.720 . 3 134 53 19 TYR HD2 H 6.720 . 3 135 53 19 TYR HE1 H 6.750 . 3 136 53 19 TYR HE2 H 6.750 . 3 137 53 19 TYR CA C 57.110 . 1 138 53 19 TYR CB C 35.130 . 1 139 53 19 TYR CD1 C 128.050 . 3 140 53 19 TYR CD2 C 128.050 . 3 141 53 19 TYR CE1 C 115.050 . 3 142 53 19 TYR CE2 C 115.050 . 3 143 53 19 TYR N N 125.200 . 1 144 54 20 ASP H H 9.596 . 1 145 54 20 ASP HA H 4.512 . 1 146 54 20 ASP HB2 H 2.800 . 2 147 54 20 ASP HB3 H 2.920 . 2 148 54 20 ASP CA C 55.515 . 1 149 54 20 ASP CB C 38.740 . 1 150 54 20 ASP N N 124.400 . 1 151 55 21 GLU H H 7.309 . 1 152 55 21 GLU HA H 4.150 . 1 153 55 21 GLU HB2 H 2.190 . 2 154 55 21 GLU HB3 H 2.250 . 2 155 55 21 GLU HG2 H 2.350 . 2 156 55 21 GLU HG3 H 2.590 . 2 157 55 21 GLU CA C 58.100 . 1 158 55 21 GLU CB C 28.500 . 1 159 55 21 GLU CG C 35.000 . 1 160 55 21 GLU N N 118.000 . 1 161 56 22 ILE H H 7.249 . 1 162 56 22 ILE HA H 3.946 . 1 163 56 22 ILE HB H 2.420 . 1 164 56 22 ILE HD1 H 1.055 . 1 165 56 22 ILE HG12 H 1.370 . 1 166 56 22 ILE HG13 H 1.941 . 1 167 56 22 ILE HG2 H 1.148 . 2 168 56 22 ILE CA C 62.300 . 1 169 56 22 ILE CB C 37.597 . 1 170 56 22 ILE CD1 C 11.640 . 1 171 56 22 ILE CG1 C 26.400 . 2 172 56 22 ILE CG2 C 16.440 . 1 173 56 22 ILE N N 118.700 . 1 174 57 23 PHE H H 9.117 . 1 175 57 23 PHE HA H 3.094 . 1 176 57 23 PHE HB2 H 3.090 . 2 177 57 23 PHE HB3 H 3.260 . 2 178 57 23 PHE HD1 H 5.900 . 3 179 57 23 PHE HD2 H 5.900 . 3 180 57 23 PHE HE1 H 6.840 . 3 181 57 23 PHE HE2 H 6.840 . 3 182 57 23 PHE HZ H 7.260 . 1 183 57 23 PHE CA C 61.330 . 1 184 57 23 PHE CB C 38.250 . 1 185 57 23 PHE CD1 C 127.500 . 3 186 57 23 PHE CD2 C 127.500 . 3 187 57 23 PHE CE1 C 127.800 . 3 188 57 23 PHE CE2 C 127.800 . 3 189 57 23 PHE CZ C 126.030 . 1 190 57 23 PHE N N 127.639 . 1 191 58 24 TYR H H 7.922 . 1 192 58 24 TYR HA H 4.000 . 1 193 58 24 TYR HB2 H 2.940 . 2 194 58 24 TYR HB3 H 3.390 . 2 195 58 24 TYR HD1 H 7.400 . 3 196 58 24 TYR HD2 H 7.400 . 3 197 58 24 TYR HE1 H 6.890 . 3 198 58 24 TYR HE2 H 6.890 . 3 199 58 24 TYR CA C 60.480 . 1 200 58 24 TYR CB C 36.086 . 1 201 58 24 TYR CD1 C 130.190 . 3 202 58 24 TYR CD2 C 130.190 . 3 203 58 24 TYR CE1 C 114.630 . 3 204 58 24 TYR CE2 C 114.630 . 3 205 58 24 TYR N N 112.500 . 1 206 59 25 THR H H 8.087 . 1 207 59 25 THR HA H 4.650 . 1 208 59 25 THR HB H 4.510 . 1 209 59 25 THR HG1 H 6.040 . 1 210 59 25 THR HG2 H 1.466 . 1 211 59 25 THR CA C 61.770 . 1 212 59 25 THR CB C 68.900 . 1 213 59 25 THR CG2 C 20.100 . 1 214 59 25 THR N N 112.500 . 1 215 60 26 LEU H H 7.351 . 1 216 60 26 LEU HA H 4.450 . 1 217 60 26 LEU HB2 H 1.300 . 2 218 60 26 LEU HB3 H 1.510 . 2 219 60 26 LEU HD1 H 0.520 . 2 220 60 26 LEU HD2 H 0.720 . 2 221 60 26 LEU HG H 1.605 . 1 222 60 26 LEU CA C 52.500 . 1 223 60 26 LEU CB C 38.700 . 1 224 60 26 LEU CD1 C 25.850 . 1 225 60 26 LEU CD2 C 20.540 . 1 226 60 26 LEU CG C 24.150 . 1 227 60 26 LEU N N 125.700 . 1 228 61 27 SER H H 7.870 . 1 229 61 27 SER HA H 3.980 . 1 230 61 27 SER HB2 H 3.830 . 2 231 61 27 SER HB3 H 3.920 . 2 232 61 27 SER CA C 56.300 . 1 233 61 27 SER CB C 60.230 . 1 234 61 27 SER N N 111.300 . 1 235 62 28 PRO HA H 4.200 . 1 236 62 28 PRO HB2 H 1.160 . 2 237 62 28 PRO HB3 H 1.510 . 2 238 62 28 PRO HD2 H 3.110 . 2 239 62 28 PRO HD3 H 3.440 . 2 240 62 28 PRO HG2 H 1.270 . 2 241 62 28 PRO HG3 H 1.870 . 2 242 62 28 PRO CA C 61.600 . 1 243 62 28 PRO CB C 29.890 . 1 244 62 28 PRO CD C 48.990 . 1 245 62 28 PRO CG C 26.110 . 1 246 63 29 VAL H H 8.744 . 1 247 63 29 VAL HA H 4.180 . 1 248 63 29 VAL HB H 1.960 . 1 249 63 29 VAL HG1 H 0.923 . 2 250 63 29 VAL HG2 H 0.944 . 2 251 63 29 VAL CA C 60.660 . 1 252 63 29 VAL CB C 32.878 . 1 253 63 29 VAL CG1 C 19.460 . 1 254 63 29 VAL CG2 C 19.840 . 1 255 63 29 VAL N N 124.100 . 1 256 64 30 ASN H H 9.713 . 1 257 64 30 ASN HA H 4.420 . 1 258 64 30 ASN HB2 H 2.820 . 2 259 64 30 ASN HB3 H 3.110 . 2 260 64 30 ASN HD21 H 7.690 . 2 261 64 30 ASN HD22 H 6.930 . 2 262 64 30 ASN CA C 52.940 . 1 263 64 30 ASN CB C 36.300 . 1 264 64 30 ASN N N 129.729 . 1 265 64 30 ASN ND2 N 115.200 . 1 266 65 31 GLY H H 8.867 . 1 267 65 31 GLY HA2 H 3.760 . 2 268 65 31 GLY HA3 H 4.260 . 2 269 65 31 GLY CA C 44.260 . 1 270 65 31 GLY N N 103.800 . 1 271 66 32 LYS H H 7.450 . 1 272 66 32 LYS HA H 5.410 . 1 273 66 32 LYS HB2 H 1.680 . 2 274 66 32 LYS HB3 H 1.728 . 2 275 66 32 LYS HD2 H 1.600 . 2 276 66 32 LYS HD3 H 1.770 . 2 277 66 32 LYS HE2 H 2.940 . 2 278 66 32 LYS HE3 H 3.098 . 2 279 66 32 LYS HG2 H 1.320 . 2 280 66 32 LYS HG3 H 1.460 . 2 281 66 32 LYS CA C 53.780 . 1 282 66 32 LYS CB C 36.540 . 1 283 66 32 LYS CD C 28.760 . 1 284 66 32 LYS CE C 41.050 . 1 285 66 32 LYS CG C 24.100 . 1 286 66 32 LYS N N 118.738 . 1 287 67 33 ILE H H 9.236 . 1 288 67 33 ILE HA H 5.008 . 1 289 67 33 ILE HB H 1.800 . 1 290 67 33 ILE HD1 H 0.480 . 1 291 67 33 ILE HG12 H 1.420 . 1 292 67 33 ILE HG13 H 1.450 . 1 293 67 33 ILE HG2 H -0.041 . 2 294 67 33 ILE CA C 57.470 . 1 295 67 33 ILE CB C 39.700 . 1 296 67 33 ILE CD1 C 14.300 . 1 297 67 33 ILE CG1 C 23.400 . 2 298 67 33 ILE CG2 C 15.570 . 1 299 67 33 ILE N N 118.000 . 1 300 68 34 THR H H 8.260 . 1 301 68 34 THR HA H 4.548 . 1 302 68 34 THR HB H 4.712 . 1 303 68 34 THR HG1 H 5.400 . 1 304 68 34 THR HG2 H 1.340 . 1 305 68 34 THR CA C 58.970 . 1 306 68 34 THR CB C 69.762 . 1 307 68 34 THR CG2 C 21.000 . 1 308 68 34 THR N N 111.700 . 1 309 69 35 GLY H H 9.310 . 1 310 69 35 GLY HA2 H 3.620 . 2 311 69 35 GLY HA3 H 3.960 . 2 312 69 35 GLY CA C 46.900 . 1 313 69 35 GLY N N 110.161 . 1 314 70 36 ALA H H 8.357 . 1 315 70 36 ALA HA H 3.870 . 1 316 70 36 ALA HB H 1.303 . 1 317 70 36 ALA CA C 53.700 . 1 318 70 36 ALA CB C 17.080 . 1 319 70 36 ALA N N 123.400 . 1 320 71 37 ASN H H 7.550 . 1 321 71 37 ASN HA H 4.690 . 1 322 71 37 ASN HB2 H 2.560 . 2 323 71 37 ASN HB3 H 2.850 . 2 324 71 37 ASN HD21 H 8.140 . 2 325 71 37 ASN HD22 H 7.140 . 2 326 71 37 ASN CA C 54.000 . 1 327 71 37 ASN CB C 36.300 . 1 328 71 37 ASN N N 118.852 . 1 329 71 37 ASN ND2 N 117.200 . 1 330 72 38 ALA H H 8.853 . 1 331 72 38 ALA HA H 4.080 . 1 332 72 38 ALA HB H 1.860 . 1 333 72 38 ALA CA C 54.450 . 1 334 72 38 ALA CB C 17.970 . 1 335 72 38 ALA N N 123.700 . 1 336 73 39 LYS H H 8.807 . 1 337 73 39 LYS HA H 3.950 . 1 338 73 39 LYS HB2 H 1.180 . 2 339 73 39 LYS HB3 H 1.790 . 2 340 73 39 LYS HD2 H 0.743 . 2 341 73 39 LYS HD3 H 1.170 . 2 342 73 39 LYS HE2 H 2.520 . 2 343 73 39 LYS HE3 H 2.650 . 2 344 73 39 LYS HG2 H 1.050 . 2 345 73 39 LYS HG3 H 1.210 . 2 346 73 39 LYS CA C 59.130 . 1 347 73 39 LYS CB C 30.880 . 1 348 73 39 LYS CD C 28.500 . 1 349 73 39 LYS CE C 40.600 . 1 350 73 39 LYS CG C 23.500 . 1 351 73 39 LYS N N 120.578 . 1 352 74 40 LYS H H 7.169 . 1 353 74 40 LYS HA H 3.988 . 1 354 74 40 LYS HB2 H 1.970 . 2 355 74 40 LYS HB3 H 2.030 . 2 356 74 40 LYS HD2 H 1.735 . 2 357 74 40 LYS HD3 H 1.735 . 2 358 74 40 LYS HE2 H 3.050 . 2 359 74 40 LYS HE3 H 3.000 . 2 360 74 40 LYS HG2 H 1.530 . 2 361 74 40 LYS HG3 H 1.650 . 2 362 74 40 LYS CA C 58.130 . 1 363 74 40 LYS CB C 30.900 . 1 364 74 40 LYS CD C 28.300 . 1 365 74 40 LYS CE C 40.800 . 1 366 74 40 LYS CG C 23.500 . 1 367 74 40 LYS N N 117.423 . 1 368 75 41 GLU H H 7.069 . 1 369 75 41 GLU HA H 4.450 . 1 370 75 41 GLU HB2 H 2.200 . 2 371 75 41 GLU HB3 H 2.200 . 2 372 75 41 GLU HG2 H 2.370 . 2 373 75 41 GLU HG3 H 2.450 . 2 374 75 41 GLU CA C 56.160 . 1 375 75 41 GLU CB C 28.900 . 1 376 75 41 GLU CG C 34.360 . 1 377 75 41 GLU N N 117.000 . 1 378 76 42 MET H H 8.890 . 1 379 76 42 MET HA H 4.010 . 1 380 76 42 MET HB2 H 2.250 . 2 381 76 42 MET HB3 H 2.330 . 2 382 76 42 MET HE H 2.050 . 1 383 76 42 MET HG2 H 2.425 . 2 384 76 42 MET HG3 H 3.070 . 2 385 76 42 MET CA C 58.600 . 1 386 76 42 MET CB C 33.770 . 1 387 76 42 MET CE C 16.100 . 1 388 76 42 MET CG C 31.120 . 1 389 76 42 MET N N 121.769 . 1 390 77 43 VAL H H 8.820 . 1 391 77 43 VAL HA H 4.110 . 1 392 77 43 VAL HB H 2.450 . 1 393 77 43 VAL HG1 H 1.100 . 2 394 77 43 VAL HG2 H 1.230 . 2 395 77 43 VAL CA C 63.490 . 1 396 77 43 VAL CB C 30.470 . 1 397 77 43 VAL CG1 C 17.950 . 1 398 77 43 VAL CG2 C 20.110 . 1 399 77 43 VAL N N 115.900 . 1 400 78 44 LYS H H 7.498 . 1 401 78 44 LYS HA H 4.130 . 1 402 78 44 LYS HB2 H 2.000 . 2 403 78 44 LYS HB3 H 2.000 . 2 404 78 44 LYS HD2 H 1.790 . 2 405 78 44 LYS HD3 H 1.830 . 2 406 78 44 LYS HE2 H 2.960 . 2 407 78 44 LYS HE3 H 3.000 . 2 408 78 44 LYS HG2 H 1.450 . 2 409 78 44 LYS HG3 H 1.790 . 2 410 78 44 LYS CA C 57.670 . 1 411 78 44 LYS CB C 30.990 . 1 412 78 44 LYS CD C 28.700 . 1 413 78 44 LYS CE C 40.700 . 1 414 78 44 LYS CG C 24.700 . 1 415 78 44 LYS N N 124.400 . 1 416 79 45 SER H H 7.508 . 1 417 79 45 SER HA H 4.050 . 1 418 79 45 SER HB2 H 3.811 . 2 419 79 45 SER HB3 H 4.200 . 2 420 79 45 SER CA C 59.440 . 1 421 79 45 SER CB C 64.580 . 1 422 79 45 SER N N 114.450 . 1 423 80 46 LYS H H 7.802 . 1 424 80 46 LYS HA H 3.920 . 1 425 80 46 LYS HB2 H 2.050 . 2 426 80 46 LYS HB3 H 2.240 . 2 427 80 46 LYS HD2 H 1.660 . 2 428 80 46 LYS HD3 H 1.730 . 2 429 80 46 LYS HE2 H 3.020 . 2 430 80 46 LYS HE3 H 3.030 . 2 431 80 46 LYS HG2 H 1.380 . 2 432 80 46 LYS HG3 H 1.460 . 2 433 80 46 LYS CA C 56.810 . 1 434 80 46 LYS CB C 27.840 . 1 435 80 46 LYS CD C 27.500 . 1 436 80 46 LYS CE C 40.700 . 1 437 80 46 LYS CG C 23.500 . 1 438 80 46 LYS N N 114.600 . 1 439 81 47 LEU H H 7.440 . 1 440 81 47 LEU HA H 4.480 . 1 441 81 47 LEU HB2 H 1.015 . 2 442 81 47 LEU HB3 H 1.499 . 2 443 81 47 LEU HD1 H 0.888 . 2 444 81 47 LEU HD2 H 0.910 . 2 445 81 47 LEU HG H 1.560 . 1 446 81 47 LEU CA C 52.000 . 1 447 81 47 LEU CB C 40.400 . 1 448 81 47 LEU CD1 C 25.000 . 1 449 81 47 LEU CD2 C 22.300 . 1 450 81 47 LEU CG C 25.900 . 1 451 81 47 LEU N N 122.600 . 1 452 82 48 PRO HA H 4.480 . 1 453 82 48 PRO HB2 H 1.840 . 2 454 82 48 PRO HB3 H 2.545 . 2 455 82 48 PRO HD2 H 3.305 . 2 456 82 48 PRO HD3 H 3.920 . 2 457 82 48 PRO HG2 H 2.010 . 2 458 82 48 PRO HG3 H 2.127 . 2 459 82 48 PRO CA C 60.910 . 1 460 82 48 PRO CB C 31.550 . 1 461 82 48 PRO CD C 48.820 . 1 462 82 48 PRO CG C 26.400 . 1 463 83 49 ASN H H 7.580 . 1 464 83 49 ASN HA H 4.220 . 1 465 83 49 ASN HB2 H 2.900 . 2 466 83 49 ASN HB3 H 2.950 . 2 467 83 49 ASN HD21 H 7.760 . 2 468 83 49 ASN HD22 H 7.140 . 2 469 83 49 ASN CA C 56.000 . 1 470 83 49 ASN CB C 36.900 . 1 471 83 49 ASN ND2 N 114.900 . 1 472 84 50 THR H H 7.270 . 1 473 84 50 THR HA H 4.000 . 1 474 84 50 THR HB H 4.137 . 1 475 84 50 THR HG2 H 1.310 . 1 476 84 50 THR CA C 63.474 . 1 477 84 50 THR CB C 66.950 . 1 478 84 50 THR CG2 C 21.190 . 1 479 85 51 VAL H H 6.827 . 1 480 85 51 VAL HA H 3.620 . 1 481 85 51 VAL HB H 2.057 . 1 482 85 51 VAL HG1 H 0.942 . 2 483 85 51 VAL HG2 H 1.074 . 2 484 85 51 VAL CA C 64.100 . 1 485 85 51 VAL CB C 30.500 . 1 486 85 51 VAL CG1 C 21.200 . 1 487 85 51 VAL CG2 C 21.280 . 1 488 85 51 VAL N N 124.400 . 1 489 86 52 LEU H H 7.850 . 1 490 86 52 LEU HA H 3.520 . 1 491 86 52 LEU HB2 H -0.210 . 2 492 86 52 LEU HB3 H 0.870 . 2 493 86 52 LEU HD1 H 0.683 . 2 494 86 52 LEU HD2 H 0.587 . 2 495 86 52 LEU HG H 1.260 . 1 496 86 52 LEU CA C 56.600 . 1 497 86 52 LEU CB C 38.090 . 1 498 86 52 LEU CD1 C 25.750 . 1 499 86 52 LEU CD2 C 21.620 . 1 500 86 52 LEU CG C 24.700 . 1 501 86 52 LEU N N 121.600 . 1 502 87 53 GLY H H 8.429 . 1 503 87 53 GLY HA2 H 4.020 . 2 504 87 53 GLY HA3 H 4.070 . 2 505 87 53 GLY CA C 46.200 . 1 506 87 53 GLY N N 107.113 . 1 507 88 54 LYS H H 7.220 . 1 508 88 54 LYS HA H 4.110 . 1 509 88 54 LYS HB2 H 1.920 . 2 510 88 54 LYS HB3 H 2.020 . 2 511 88 54 LYS HD2 H 1.677 . 2 512 88 54 LYS HD3 H 1.720 . 2 513 88 54 LYS HE2 H 2.960 . 2 514 88 54 LYS HE3 H 2.910 . 2 515 88 54 LYS HG2 H 1.428 . 2 516 88 54 LYS HG3 H 1.629 . 2 517 88 54 LYS CA C 57.890 . 1 518 88 54 LYS CB C 31.000 . 1 519 88 54 LYS CD C 28.100 . 1 520 88 54 LYS CE C 40.700 . 1 521 88 54 LYS CG C 24.100 . 1 522 88 54 LYS N N 124.400 . 1 523 89 55 ILE H H 7.980 . 1 524 89 55 ILE HA H 3.476 . 1 525 89 55 ILE HB H 1.832 . 1 526 89 55 ILE HD1 H 0.555 . 1 527 89 55 ILE HG12 H 0.706 . 1 528 89 55 ILE HG13 H 1.871 . 1 529 89 55 ILE HG2 H 0.880 . 2 530 89 55 ILE CA C 65.360 . 1 531 89 55 ILE CB C 36.300 . 1 532 89 55 ILE CD1 C 12.780 . 1 533 89 55 ILE CG1 C 30.300 . 2 534 89 55 ILE CG2 C 16.220 . 1 535 89 55 ILE N N 122.600 . 1 536 90 56 TRP H H 8.911 . 1 537 90 56 TRP HA H 3.810 . 1 538 90 56 TRP HB2 H 3.450 . 2 539 90 56 TRP HB3 H 3.580 . 2 540 90 56 TRP HD1 H 7.160 . 1 541 90 56 TRP HE1 H 10.380 . 3 542 90 56 TRP HE3 H 7.350 . 3 543 90 56 TRP HH2 H 6.800 . 1 544 90 56 TRP HZ2 H 7.230 . 3 545 90 56 TRP HZ3 H 6.920 . 3 546 90 56 TRP CA C 60.260 . 1 547 90 56 TRP CB C 27.000 . 1 548 90 56 TRP CD1 C 123.000 . 3 549 90 56 TRP CE3 C 114.630 . 3 550 90 56 TRP CH2 C 120.300 . 1 551 90 56 TRP CZ2 C 111.100 . 3 552 90 56 TRP CZ3 C 118.150 . 3 553 90 56 TRP N N 122.100 . 1 554 90 56 TRP NE1 N 133.400 . 1 555 91 57 LYS H H 7.620 . 1 556 91 57 LYS HA H 4.010 . 1 557 91 57 LYS HB2 H 1.970 . 2 558 91 57 LYS HB3 H 2.014 . 2 559 91 57 LYS HD2 H 1.721 . 2 560 91 57 LYS HD3 H 1.721 . 2 561 91 57 LYS HE2 H 2.900 . 2 562 91 57 LYS HE3 H 3.057 . 2 563 91 57 LYS HG2 H 1.520 . 2 564 91 57 LYS HG3 H 1.650 . 2 565 91 57 LYS CA C 57.890 . 1 566 91 57 LYS CB C 31.300 . 1 567 91 57 LYS CD C 28.100 . 1 568 91 57 LYS CE C 40.700 . 1 569 91 57 LYS CG C 24.200 . 1 570 91 57 LYS N N 117.000 . 1 571 92 58 LEU H H 7.560 . 1 572 92 58 LEU HA H 3.995 . 1 573 92 58 LEU HB2 H 1.030 . 2 574 92 58 LEU HB3 H 1.960 . 2 575 92 58 LEU HD1 H 0.861 . 2 576 92 58 LEU HD2 H 0.650 . 2 577 92 58 LEU HG H 1.760 . 1 578 92 58 LEU CA C 55.780 . 1 579 92 58 LEU CB C 42.270 . 1 580 92 58 LEU CD1 C 25.280 . 1 581 92 58 LEU CD2 C 21.370 . 1 582 92 58 LEU CG C 25.890 . 1 583 92 58 LEU N N 119.520 . 1 584 93 59 ALA H H 8.170 . 1 585 93 59 ALA HA H 4.130 . 1 586 93 59 ALA HB H 1.167 . 1 587 93 59 ALA CA C 52.400 . 1 588 93 59 ALA CB C 17.700 . 1 589 93 59 ALA N N 120.300 . 1 590 94 60 ASP H H 7.733 . 1 591 94 60 ASP HA H 4.560 . 1 592 94 60 ASP HB2 H 1.200 . 2 593 94 60 ASP HB3 H 2.270 . 2 594 94 60 ASP CA C 50.550 . 1 595 94 60 ASP CB C 35.220 . 1 596 94 60 ASP N N 115.750 . 1 597 95 61 VAL H H 8.344 . 1 598 95 61 VAL HA H 3.500 . 1 599 95 61 VAL HB H 1.830 . 1 600 95 61 VAL HG1 H 0.920 . 2 601 95 61 VAL HG2 H 1.071 . 2 602 95 61 VAL CA C 64.360 . 1 603 95 61 VAL CB C 31.330 . 1 604 95 61 VAL CG1 C 20.700 . 1 605 95 61 VAL CG2 C 21.200 . 1 606 95 61 VAL N N 129.300 . 1 607 96 62 ASP H H 7.910 . 1 608 96 62 ASP HA H 4.530 . 1 609 96 62 ASP HB2 H 2.300 . 2 610 96 62 ASP HB3 H 3.130 . 2 611 96 62 ASP CA C 51.630 . 1 612 96 62 ASP CB C 38.300 . 1 613 96 62 ASP N N 115.600 . 1 614 97 63 LYS H H 7.590 . 1 615 97 63 LYS HA H 3.870 . 1 616 97 63 LYS HB2 H 1.932 . 2 617 97 63 LYS HB3 H 1.900 . 2 618 97 63 LYS HD2 H 1.610 . 2 619 97 63 LYS HD3 H 1.700 . 2 620 97 63 LYS HE2 H 3.030 . 2 621 97 63 LYS HE3 H 3.030 . 2 622 97 63 LYS HG2 H 1.350 . 2 623 97 63 LYS HG3 H 1.350 . 2 624 97 63 LYS CA C 56.450 . 1 625 97 63 LYS CB C 28.000 . 1 626 97 63 LYS CD C 28.000 . 1 627 97 63 LYS CE C 41.500 . 1 628 97 63 LYS CG C 23.700 . 1 629 97 63 LYS N N 115.885 . 1 630 98 64 ASP H H 8.390 . 1 631 98 64 ASP HA H 4.707 . 1 632 98 64 ASP HB2 H 2.450 . 2 633 98 64 ASP HB3 H 2.990 . 2 634 98 64 ASP CA C 52.060 . 1 635 98 64 ASP CB C 39.500 . 1 636 98 64 ASP N N 120.300 . 1 637 99 65 GLY H H 10.740 . 1 638 99 65 GLY HA2 H 4.060 . 2 639 99 65 GLY HA3 H 4.374 . 2 640 99 65 GLY CA C 45.160 . 1 641 99 65 GLY N N 116.000 . 1 642 100 66 LEU H H 8.097 . 1 643 100 66 LEU HA H 5.170 . 1 644 100 66 LEU HB2 H 1.490 . 2 645 100 66 LEU HB3 H 1.680 . 2 646 100 66 LEU HD1 H 0.821 . 2 647 100 66 LEU HD2 H 0.893 . 2 648 100 66 LEU HG H 1.540 . 1 649 100 66 LEU CA C 51.700 . 1 650 100 66 LEU CB C 44.290 . 1 651 100 66 LEU CD1 C 24.860 . 1 652 100 66 LEU CD2 C 23.500 . 1 653 100 66 LEU CG C 26.520 . 1 654 100 66 LEU N N 122.400 . 1 655 101 67 LEU H H 8.657 . 1 656 101 67 LEU HA H 5.796 . 1 657 101 67 LEU HB2 H 1.570 . 2 658 101 67 LEU HB3 H 1.900 . 2 659 101 67 LEU HD1 H 0.856 . 2 660 101 67 LEU HD2 H -0.050 . 2 661 101 67 LEU HG H 1.540 . 1 662 101 67 LEU CA C 51.600 . 1 663 101 67 LEU CB C 42.100 . 1 664 101 67 LEU CD1 C 25.930 . 1 665 101 67 LEU CD2 C 19.680 . 1 666 101 67 LEU CG C 25.080 . 1 667 101 67 LEU N N 120.800 . 1 668 102 68 ASP H H 9.261 . 1 669 102 68 ASP HA H 5.620 . 1 670 102 68 ASP HB2 H 2.581 . 2 671 102 68 ASP HB3 H 3.257 . 2 672 102 68 ASP CA C 50.980 . 1 673 102 68 ASP CB C 39.750 . 1 674 102 68 ASP N N 124.100 . 1 675 103 69 ASP H H 8.523 . 1 676 103 69 ASP HA H 2.830 . 1 677 103 69 ASP HB2 H 1.720 . 2 678 103 69 ASP HB3 H 2.051 . 2 679 103 69 ASP CA C 56.160 . 1 680 103 69 ASP CB C 37.160 . 1 681 103 69 ASP N N 117.200 . 1 682 104 70 GLU H H 8.003 . 1 683 104 70 GLU HA H 4.055 . 1 684 104 70 GLU HB2 H 1.810 . 2 685 104 70 GLU HB3 H 2.130 . 2 686 104 70 GLU HG2 H 1.980 . 2 687 104 70 GLU HG3 H 2.511 . 2 688 104 70 GLU CA C 58.950 . 1 689 104 70 GLU CB C 29.134 . 1 690 104 70 GLU CG C 36.300 . 1 691 104 70 GLU N N 124.606 . 1 692 105 71 GLU H H 8.760 . 1 693 105 71 GLU HA H 4.030 . 1 694 105 71 GLU HB2 H 2.240 . 2 695 105 71 GLU HB3 H 2.450 . 2 696 105 71 GLU HG2 H 2.340 . 2 697 105 71 GLU HG3 H 2.910 . 2 698 105 71 GLU CA C 58.570 . 1 699 105 71 GLU CB C 30.270 . 1 700 105 71 GLU CG C 36.280 . 1 701 105 71 GLU N N 123.400 . 1 702 106 72 PHE H H 9.416 . 1 703 106 72 PHE HA H 4.230 . 1 704 106 72 PHE HB2 H 3.010 . 2 705 106 72 PHE HB3 H 3.217 . 2 706 106 72 PHE HD1 H 7.600 . 3 707 106 72 PHE HD2 H 7.600 . 3 708 106 72 PHE HE1 H 7.420 . 3 709 106 72 PHE HE2 H 7.420 . 3 710 106 72 PHE HZ H 7.260 . 1 711 106 72 PHE CA C 60.000 . 1 712 106 72 PHE CB C 38.440 . 1 713 106 72 PHE CD1 C 129.760 . 3 714 106 72 PHE CD2 C 129.760 . 3 715 106 72 PHE CE1 C 127.500 . 3 716 106 72 PHE CE2 C 127.500 . 3 717 106 72 PHE CZ C 126.030 . 1 718 106 72 PHE N N 120.550 . 1 719 107 73 ALA H H 8.085 . 1 720 107 73 ALA HA H 3.778 . 1 721 107 73 ALA HB H 1.840 . 1 722 107 73 ALA CA C 54.010 . 1 723 107 73 ALA CB C 16.691 . 1 724 107 73 ALA N N 126.700 . 1 725 108 74 LEU H H 8.443 . 1 726 108 74 LEU HA H 4.048 . 1 727 108 74 LEU HB2 H 1.760 . 2 728 108 74 LEU HB3 H 2.560 . 2 729 108 74 LEU HD1 H 1.220 . 2 730 108 74 LEU HD2 H 1.177 . 2 731 108 74 LEU HG H 1.566 . 1 732 108 74 LEU CA C 56.811 . 1 733 108 74 LEU CB C 41.090 . 1 734 108 74 LEU CD1 C 26.400 . 1 735 108 74 LEU CD2 C 22.260 . 1 736 108 74 LEU CG C 26.400 . 1 737 108 74 LEU N N 121.000 . 1 738 109 75 ALA H H 8.677 . 1 739 109 75 ALA HA H 3.650 . 1 740 109 75 ALA HB H 1.220 . 1 741 109 75 ALA CA C 54.220 . 1 742 109 75 ALA CB C 15.367 . 1 743 109 75 ALA N N 122.981 . 1 744 110 76 ASN H H 7.300 . 1 745 110 76 ASN HA H 3.800 . 1 746 110 76 ASN HB2 H 1.280 . 2 747 110 76 ASN HB3 H 1.400 . 2 748 110 76 ASN HD21 H 5.785 . 2 749 110 76 ASN HD22 H 3.959 . 2 750 110 76 ASN CA C 55.500 . 1 751 110 76 ASN CB C 36.610 . 1 752 110 76 ASN N N 115.600 . 1 753 110 76 ASN ND2 N 109.877 . 1 754 111 77 HIS H H 8.363 . 1 755 111 77 HIS HA H 4.092 . 1 756 111 77 HIS HB2 H 3.030 . 2 757 111 77 HIS HB3 H 3.290 . 2 758 111 77 HIS HD2 H 6.270 . 3 759 111 77 HIS HE1 H 7.548 . 3 760 111 77 HIS CA C 59.180 . 1 761 111 77 HIS CB C 30.420 . 1 762 111 77 HIS CD2 C 113.040 . 1 763 111 77 HIS CE1 C 135.180 . 1 764 111 77 HIS N N 124.400 . 1 765 112 78 LEU H H 8.278 . 1 766 112 78 LEU HA H 3.800 . 1 767 112 78 LEU HB2 H 1.100 . 2 768 112 78 LEU HB3 H 2.010 . 2 769 112 78 LEU HD1 H 0.813 . 2 770 112 78 LEU HD2 H 0.710 . 2 771 112 78 LEU HG H 1.960 . 1 772 112 78 LEU CA C 56.115 . 1 773 112 78 LEU CB C 41.000 . 1 774 112 78 LEU CD1 C 26.580 . 1 775 112 78 LEU CD2 C 20.120 . 1 776 112 78 LEU CG C 25.800 . 1 777 112 78 LEU N N 119.085 . 1 778 113 79 ILE H H 7.790 . 1 779 113 79 ILE HA H 3.250 . 1 780 113 79 ILE HB H 1.902 . 1 781 113 79 ILE HD1 H 0.774 . 1 782 113 79 ILE HG12 H 0.672 . 1 783 113 79 ILE HG13 H 1.955 . 1 784 113 79 ILE HG2 H 0.880 . 2 785 113 79 ILE CA C 65.020 . 1 786 113 79 ILE CB C 36.730 . 1 787 113 79 ILE CD1 C 12.300 . 1 788 113 79 ILE CG1 C 29.370 . 2 789 113 79 ILE CG2 C 16.220 . 1 790 113 79 ILE N N 121.000 . 1 791 114 80 LYS H H 7.506 . 1 792 114 80 LYS HA H 3.820 . 1 793 114 80 LYS HB2 H 1.820 . 2 794 114 80 LYS HB3 H 1.950 . 2 795 114 80 LYS HD2 H 1.660 . 2 796 114 80 LYS HD3 H 1.740 . 2 797 114 80 LYS HE2 H 2.970 . 2 798 114 80 LYS HE3 H 3.033 . 2 799 114 80 LYS HG2 H 1.150 . 2 800 114 80 LYS HG3 H 1.490 . 2 801 114 80 LYS CA C 58.970 . 1 802 114 80 LYS CB C 30.470 . 1 803 114 80 LYS CD C 28.500 . 1 804 114 80 LYS CE C 41.200 . 1 805 114 80 LYS CG C 23.500 . 1 806 114 80 LYS N N 122.150 . 1 807 115 81 VAL H H 8.090 . 1 808 115 81 VAL HA H 3.736 . 1 809 115 81 VAL HB H 2.080 . 1 810 115 81 VAL HG1 H 0.705 . 2 811 115 81 VAL HG2 H 0.672 . 2 812 115 81 VAL CA C 64.500 . 1 813 115 81 VAL CB C 30.050 . 1 814 115 81 VAL CG1 C 19.770 . 1 815 115 81 VAL CG2 C 20.320 . 1 816 115 81 VAL N N 118.700 . 1 817 116 82 LYS H H 7.820 . 1 818 116 82 LYS HA H 4.520 . 1 819 116 82 LYS HB2 H 1.730 . 2 820 116 82 LYS HB3 H 2.068 . 2 821 116 82 LYS HD2 H 1.630 . 2 822 116 82 LYS HD3 H 1.995 . 2 823 116 82 LYS HE2 H 3.020 . 2 824 116 82 LYS HE3 H 2.920 . 2 825 116 82 LYS HG2 H 1.280 . 2 826 116 82 LYS HG3 H 1.470 . 2 827 116 82 LYS CA C 56.000 . 1 828 116 82 LYS CB C 30.340 . 1 829 116 82 LYS CD C 26.600 . 1 830 116 82 LYS CE C 40.800 . 1 831 116 82 LYS CG C 23.500 . 1 832 116 82 LYS N N 122.800 . 1 833 117 83 LEU H H 8.959 . 1 834 117 83 LEU HA H 4.080 . 1 835 117 83 LEU HB2 H 1.420 . 2 836 117 83 LEU HB3 H 2.060 . 2 837 117 83 LEU HD1 H 0.840 . 2 838 117 83 LEU HD2 H 0.912 . 2 839 117 83 LEU HG H 1.840 . 1 840 117 83 LEU CA C 56.620 . 1 841 117 83 LEU CB C 40.361 . 1 842 117 83 LEU CD1 C 25.000 . 1 843 117 83 LEU CD2 C 20.700 . 1 844 117 83 LEU CG C 25.800 . 1 845 117 83 LEU N N 125.200 . 1 846 118 84 GLU H H 7.817 . 1 847 118 84 GLU HA H 4.156 . 1 848 118 84 GLU HB2 H 2.090 . 2 849 118 84 GLU HB3 H 2.150 . 2 850 118 84 GLU HG2 H 2.250 . 2 851 118 84 GLU HG3 H 2.530 . 2 852 118 84 GLU CA C 55.100 . 1 853 118 84 GLU CB C 28.600 . 1 854 118 84 GLU CG C 35.500 . 1 855 118 84 GLU N N 119.766 . 1 856 119 85 GLY H H 7.830 . 1 857 119 85 GLY HA2 H 3.640 . 2 858 119 85 GLY HA3 H 4.140 . 2 859 119 85 GLY CA C 43.690 . 1 860 119 85 GLY N N 107.933 . 1 861 120 86 HIS H H 7.690 . 1 862 120 86 HIS HA H 4.670 . 1 863 120 86 HIS HB2 H 2.880 . 2 864 120 86 HIS HB3 H 3.030 . 2 865 120 86 HIS HD2 H 7.170 . 3 866 120 86 HIS HE1 H 8.750 . 3 867 120 86 HIS CA C 53.780 . 1 868 120 86 HIS CB C 29.390 . 1 869 120 86 HIS CD2 C 116.300 . 1 870 120 86 HIS N N 122.100 . 1 871 121 87 GLU H H 8.491 . 1 872 121 87 GLU HA H 4.270 . 1 873 121 87 GLU HB2 H 1.850 . 2 874 121 87 GLU HB3 H 1.970 . 2 875 121 87 GLU HG2 H 2.290 . 2 876 121 87 GLU HG3 H 2.391 . 2 877 121 87 GLU CA C 54.000 . 1 878 121 87 GLU CB C 29.120 . 1 879 121 87 GLU CG C 34.610 . 1 880 121 87 GLU N N 121.600 . 1 881 122 88 LEU H H 8.659 . 1 882 122 88 LEU HA H 4.417 . 1 883 122 88 LEU HB2 H 1.182 . 2 884 122 88 LEU HB3 H 1.663 . 2 885 122 88 LEU HD1 H 0.792 . 2 886 122 88 LEU HD2 H 0.852 . 2 887 122 88 LEU HG H 1.663 . 1 888 122 88 LEU CA C 50.777 . 1 889 122 88 LEU CB C 39.986 . 1 890 122 88 LEU CD1 C 22.200 . 1 891 122 88 LEU CD2 C 25.300 . 1 892 122 88 LEU CG C 25.660 . 1 893 122 88 LEU N N 125.000 . 1 894 123 89 PRO HA H 4.570 . 1 895 123 89 PRO HB2 H 2.290 . 2 896 123 89 PRO HB3 H 2.330 . 2 897 123 89 PRO HD2 H 3.320 . 2 898 123 89 PRO HD3 H 3.740 . 2 899 123 89 PRO HG2 H 1.840 . 2 900 123 89 PRO HG3 H 1.920 . 2 901 123 89 PRO CA C 60.690 . 1 902 123 89 PRO CB C 30.320 . 1 903 123 89 PRO CD C 47.740 . 1 904 123 89 PRO CG C 25.070 . 1 905 124 90 ALA H H 8.464 . 1 906 124 90 ALA HA H 4.068 . 1 907 124 90 ALA HB H 1.380 . 1 908 124 90 ALA CA C 52.700 . 1 909 124 90 ALA CB C 17.760 . 1 910 124 90 ALA N N 123.603 . 1 911 125 91 ASP H H 7.482 . 1 912 125 91 ASP HA H 4.630 . 1 913 125 91 ASP HB2 H 2.340 . 2 914 125 91 ASP HB3 H 2.510 . 2 915 125 91 ASP CA C 50.340 . 1 916 125 91 ASP CB C 42.620 . 1 917 125 91 ASP N N 115.100 . 1 918 126 92 LEU H H 8.883 . 1 919 126 92 LEU HA H 4.176 . 1 920 126 92 LEU HB2 H 1.560 . 2 921 126 92 LEU HB3 H 1.620 . 2 922 126 92 LEU HD1 H 0.899 . 2 923 126 92 LEU HD2 H 0.981 . 2 924 126 92 LEU HG H 1.714 . 1 925 126 92 LEU CA C 51.930 . 1 926 126 92 LEU CB C 41.032 . 1 927 126 92 LEU CD1 C 24.200 . 1 928 126 92 LEU CD2 C 24.700 . 1 929 126 92 LEU CG C 25.070 . 1 930 126 92 LEU N N 125.200 . 1 931 127 93 PRO HA H 4.860 . 1 932 127 93 PRO HB2 H 1.950 . 2 933 127 93 PRO HB3 H 2.500 . 2 934 127 93 PRO HD2 H 3.520 . 2 935 127 93 PRO HD3 H 4.120 . 2 936 127 93 PRO HG2 H 1.550 . 2 937 127 93 PRO HG3 H 2.090 . 2 938 127 93 PRO CA C 59.820 . 1 939 127 93 PRO CB C 29.800 . 1 940 127 93 PRO CD C 49.200 . 1 941 127 93 PRO CG C 25.850 . 1 942 128 94 PRO HA H 4.220 . 1 943 128 94 PRO HB2 H 2.030 . 2 944 128 94 PRO HB3 H 2.440 . 2 945 128 94 PRO HD2 H 3.880 . 2 946 128 94 PRO HD3 H 3.920 . 2 947 128 94 PRO HG2 H 2.120 . 2 948 128 94 PRO HG3 H 2.250 . 2 949 128 94 PRO CA C 64.560 . 1 950 128 94 PRO CB C 30.900 . 1 951 128 94 PRO CD C 49.030 . 1 952 128 94 PRO CG C 26.370 . 1 953 129 95 HIS H H 7.930 . 1 954 129 95 HIS HA H 4.650 . 1 955 129 95 HIS HB2 H 3.030 . 2 956 129 95 HIS HB3 H 3.430 . 2 957 129 95 HIS HD2 H 6.900 . 3 958 129 95 HIS HE1 H 7.800 . 3 959 129 95 HIS CA C 56.810 . 1 960 129 95 HIS CB C 28.100 . 1 961 129 95 HIS CD2 C 114.660 . 1 962 129 95 HIS CE1 C 135.970 . 1 963 129 95 HIS N N 112.500 . 1 964 130 96 LEU H H 7.717 . 1 965 130 96 LEU HA H 4.646 . 1 966 130 96 LEU HB2 H 1.458 . 2 967 130 96 LEU HB3 H 1.698 . 2 968 130 96 LEU HD1 H 0.754 . 2 969 130 96 LEU HD2 H 0.610 . 2 970 130 96 LEU HG H 1.000 . 1 971 130 96 LEU CA C 52.920 . 1 972 130 96 LEU CB C 42.210 . 1 973 130 96 LEU CD1 C 23.500 . 1 974 130 96 LEU CD2 C 22.270 . 1 975 130 96 LEU CG C 25.400 . 1 976 130 96 LEU N N 121.000 . 1 977 131 97 VAL H H 7.150 . 1 978 131 97 VAL HA H 3.720 . 1 979 131 97 VAL HB H 1.950 . 1 980 131 97 VAL HG1 H 0.812 . 2 981 131 97 VAL HG2 H 0.980 . 2 982 131 97 VAL CA C 60.520 . 1 983 131 97 VAL CB C 31.310 . 1 984 131 97 VAL CG1 C 19.500 . 1 985 131 97 VAL CG2 C 21.330 . 1 986 131 97 VAL N N 125.460 . 1 987 132 98 PRO HA H 2.720 . 1 988 132 98 PRO HB2 H 1.420 . 2 989 132 98 PRO HB3 H 1.860 . 2 990 132 98 PRO HD2 H 3.250 . 2 991 132 98 PRO HD3 H 4.270 . 2 992 132 98 PRO HG2 H 1.770 . 2 993 132 98 PRO HG3 H 1.850 . 2 994 132 98 PRO CA C 59.400 . 1 995 132 98 PRO CB C 30.250 . 1 996 132 98 PRO CD C 49.500 . 1 997 132 98 PRO CG C 26.200 . 1 998 133 99 PRO HA H 3.610 . 1 999 133 99 PRO HB2 H 1.840 . 2 1000 133 99 PRO HB3 H 2.190 . 2 1001 133 99 PRO HD2 H 1.900 . 2 1002 133 99 PRO HD3 H 2.140 . 2 1003 133 99 PRO HG2 H 1.490 . 2 1004 133 99 PRO HG3 H 1.740 . 2 1005 133 99 PRO CA C 64.760 . 1 1006 133 99 PRO CB C 30.770 . 1 1007 133 99 PRO CD C 47.500 . 1 1008 133 99 PRO CG C 26.350 . 1 1009 134 100 SER H H 9.222 . 1 1010 134 100 SER HA H 4.140 . 1 1011 134 100 SER HB2 H 3.890 . 2 1012 134 100 SER HB3 H 3.890 . 2 1013 134 100 SER CA C 59.660 . 1 1014 134 100 SER CB C 61.320 . 1 1015 134 100 SER N N 115.005 . 1 1016 135 101 LYS H H 7.867 . 1 1017 135 101 LYS HA H 4.470 . 1 1018 135 101 LYS HB2 H 1.530 . 2 1019 135 101 LYS HB3 H 1.970 . 2 1020 135 101 LYS HD2 H 1.405 . 2 1021 135 101 LYS HD3 H 1.508 . 2 1022 135 101 LYS HE2 H 3.045 . 2 1023 135 101 LYS HE3 H 2.730 . 2 1024 135 101 LYS HG2 H 1.110 . 2 1025 135 101 LYS HG3 H 1.420 . 2 1026 135 101 LYS CA C 52.490 . 1 1027 135 101 LYS CB C 30.600 . 1 1028 135 101 LYS CD C 26.600 . 1 1029 135 101 LYS CE C 40.700 . 1 1030 135 101 LYS CG C 23.760 . 1 1031 135 101 LYS N N 121.053 . 1 1032 136 102 ARG H H 7.057 . 1 1033 136 102 ARG HA H 4.110 . 1 1034 136 102 ARG HB2 H 1.617 . 2 1035 136 102 ARG HB3 H 1.733 . 2 1036 136 102 ARG HD2 H 2.980 . 2 1037 136 102 ARG HD3 H 3.180 . 2 1038 136 102 ARG HG2 H 1.441 . 2 1039 136 102 ARG HG3 H 1.740 . 2 1040 136 102 ARG HH11 H 6.400 . 1 1041 136 102 ARG HH12 H 7.160 . 1 1042 136 102 ARG HH21 H 6.300 . 1 1043 136 102 ARG HH22 H 7.160 . 1 1044 136 102 ARG CA C 55.440 . 1 1045 136 102 ARG CB C 29.100 . 1 1046 136 102 ARG CD C 42.600 . 1 1047 136 102 ARG CG C 26.100 . 1 1048 136 102 ARG N N 121.944 . 1 1049 137 103 ARG H H 8.289 . 1 1050 137 103 ARG HA H 4.274 . 1 1051 137 103 ARG HB2 H 1.686 . 2 1052 137 103 ARG HB3 H 1.756 . 2 1053 137 103 ARG HD2 H 2.960 . 2 1054 137 103 ARG HD3 H 3.150 . 2 1055 137 103 ARG HG2 H 1.520 . 2 1056 137 103 ARG HG3 H 1.580 . 2 1057 137 103 ARG HH11 H 6.400 . 1 1058 137 103 ARG HH12 H 7.160 . 1 1059 137 103 ARG HH21 H 6.400 . 1 1060 137 103 ARG HH22 H 7.160 . 1 1061 137 103 ARG CA C 54.100 . 1 1062 137 103 ARG CB C 29.700 . 1 1063 137 103 ARG CD C 41.800 . 1 1064 137 103 ARG CG C 25.700 . 1 1065 137 103 ARG N N 123.504 . 1 1066 138 104 HIS H H 8.370 . 1 1067 138 104 HIS HA H 4.662 . 1 1068 138 104 HIS HB2 H 3.110 . 2 1069 138 104 HIS HB3 H 3.180 . 2 1070 138 104 HIS HD2 H 7.130 . 3 1071 138 104 HIS CA C 54.110 . 1 1072 138 104 HIS CB C 28.730 . 1 1073 138 104 HIS CD2 C 117.000 . 1 1074 139 105 GLU H H 8.131 . 1 1075 139 105 GLU HA H 4.117 . 1 1076 139 105 GLU HB2 H 1.860 . 2 1077 139 105 GLU HB3 H 2.044 . 2 1078 139 105 GLU HG2 H 2.163 . 2 1079 139 105 GLU HG3 H 2.163 . 2 1080 139 105 GLU CA C 56.630 . 1 1081 139 105 GLU CB C 29.712 . 1 1082 139 105 GLU CG C 35.200 . 1 1083 139 105 GLU N N 129.300 . 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 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 MICAL_L1_like_peptide _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 LEU HA H 3.966 . 1 2 143 1 LEU HB2 H 1.640 . 2 3 143 1 LEU HB3 H 1.710 . 2 4 143 1 LEU HD1 H 0.944 . 2 5 143 1 LEU HD2 H 0.926 . 2 6 143 1 LEU HG H 1.645 . 1 7 145 3 SER HA H 4.650 . 1 8 145 3 SER HB2 H 3.800 . 2 9 146 4 LYS H H 8.390 . 1 10 146 4 LYS HA H 4.440 . 1 11 146 4 LYS HB2 H 1.735 . 2 12 146 4 LYS HD2 H 1.680 . 2 13 146 4 LYS HE2 H 2.980 . 2 14 146 4 LYS HG2 H 1.425 . 2 15 147 5 PRO HA H 4.420 . 1 16 147 5 PRO HB2 H 1.870 . 2 17 147 5 PRO HB3 H 2.260 . 2 18 147 5 PRO HD2 H 3.800 . 2 19 147 5 PRO HD3 H 3.840 . 2 20 147 5 PRO HG2 H 2.020 . 2 21 147 5 PRO HG3 H 2.020 . 2 22 148 6 TYR HA H 4.410 . 1 23 148 6 TYR HB2 H 2.811 . 2 24 148 6 TYR HB3 H 3.089 . 2 25 148 6 TYR HD1 H 7.100 . 3 26 148 6 TYR HD2 H 7.100 . 3 27 148 6 TYR HE1 H 6.720 . 3 28 148 6 TYR HE2 H 6.720 . 3 29 149 7 ASN HB2 H 2.570 . 2 30 149 7 ASN HB3 H 2.760 . 2 31 149 7 ASN HD21 H 7.690 . 2 32 149 7 ASN HD22 H 7.031 . 2 33 150 8 PRO HA H 4.640 . 1 34 150 8 PRO HB2 H 1.470 . 2 35 150 8 PRO HB3 H 1.710 . 2 36 150 8 PRO HD2 H 3.640 . 2 37 150 8 PRO HD3 H 3.840 . 2 38 150 8 PRO HG2 H 2.005 . 2 39 150 8 PRO HG3 H 1.830 . 2 40 151 9 PHE HA H 4.440 . 1 41 151 9 PHE HB2 H 2.840 . 2 42 151 9 PHE HB3 H 3.220 . 2 43 151 9 PHE HD1 H 7.230 . 3 44 151 9 PHE HD2 H 7.230 . 3 45 151 9 PHE HE1 H 7.300 . 3 46 151 9 PHE HE2 H 7.300 . 3 47 151 9 PHE HZ H 7.260 . 1 48 152 10 GLU H H 7.850 . 1 49 152 10 GLU HA H 4.220 . 1 50 152 10 GLU HB2 H 1.860 . 2 51 152 10 GLU HB3 H 2.170 . 2 52 152 10 GLU HG2 H 2.020 . 2 53 152 10 GLU HG3 H 2.020 . 2 54 154 12 GLU H H 8.440 . 1 55 154 12 GLU HA H 4.270 . 1 56 154 12 GLU HB2 H 1.880 . 2 57 154 12 GLU HB3 H 2.020 . 2 58 154 12 GLU HG2 H 2.240 . 2 59 154 12 GLU HG3 H 2.240 . 2 60 155 13 GLU H H 8.400 . 1 61 155 13 GLU HA H 4.250 . 1 62 155 13 GLU HB2 H 1.870 . 2 63 155 13 GLU HB3 H 2.010 . 2 64 155 13 GLU HG2 H 2.220 . 2 65 155 13 GLU HG3 H 2.220 . 2 66 156 14 GLU HA H 4.250 . 1 67 156 14 GLU HB2 H 2.048 . 2 68 157 15 ASP H H 8.068 . 1 69 157 15 ASP HA H 4.330 . 1 70 157 15 ASP HB2 H 2.550 . 2 71 157 15 ASP HB3 H 2.550 . 2 stop_ save_