data_15279 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of the EH-domain of EHD1 ; _BMRB_accession_number 15279 _BMRB_flat_file_name bmr15279.str _Entry_type original _Submission_date 2007-06-01 _Accession_date 2007-06-01 _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 P. . 2 JOVIC Marko . . 3 CAPLAN Steve . . 4 SORGEN Paul L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 811 "13C chemical shifts" 602 "15N chemical shifts" 131 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-03 update BMRB 'complete entry citation' 2007-10-16 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'EH domain of EHD1' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17899392 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kieken Fabien P. . 2 Jovic Marko . . 3 Naslavsky N. . . 4 Caplan Steve . . 5 Sorgen Paul L. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 39 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 323 _Page_last 329 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'EH domain of EHD1 in presence of Ca+2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'EH domain of EHD1' $EH_Domain_of_EHD-1 'CALCIUM ION' $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_EHD-1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'EH domain of EHD1' _Molecular_mass 15004.205 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 139 _Mol_residue_sequence ; GPLGSESLMPSQVVKGGAFD GTMNGPFGHGYGEGAGEGID DVEWVVGKDKPTYDEIFYTL SPVNGKITGANAKKEMVKSK LPNTVLGKIWKLADVDKDGL LDDEEFALANHLIKVKLEGH ELPADLPPHLVPPSKRRHE ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 LEU 4 GLY 5 SER 6 GLU 7 SER 8 LEU 9 MET 10 PRO 11 SER 12 GLN 13 VAL 14 VAL 15 LYS 16 GLY 17 GLY 18 ALA 19 PHE 20 ASP 21 GLY 22 THR 23 MET 24 ASN 25 GLY 26 PRO 27 PHE 28 GLY 29 HIS 30 GLY 31 TYR 32 GLY 33 GLU 34 GLY 35 ALA 36 GLY 37 GLU 38 GLY 39 ILE 40 ASP 41 ASP 42 VAL 43 GLU 44 TRP 45 VAL 46 VAL 47 GLY 48 LYS 49 ASP 50 LYS 51 PRO 52 THR 53 TYR 54 ASP 55 GLU 56 ILE 57 PHE 58 TYR 59 THR 60 LEU 61 SER 62 PRO 63 VAL 64 ASN 65 GLY 66 LYS 67 ILE 68 THR 69 GLY 70 ALA 71 ASN 72 ALA 73 LYS 74 LYS 75 GLU 76 MET 77 VAL 78 LYS 79 SER 80 LYS 81 LEU 82 PRO 83 ASN 84 THR 85 VAL 86 LEU 87 GLY 88 LYS 89 ILE 90 TRP 91 LYS 92 LEU 93 ALA 94 ASP 95 VAL 96 ASP 97 LYS 98 ASP 99 GLY 100 LEU 101 LEU 102 ASP 103 ASP 104 GLU 105 GLU 106 PHE 107 ALA 108 LEU 109 ALA 110 ASN 111 HIS 112 LEU 113 ILE 114 LYS 115 VAL 116 LYS 117 LEU 118 GLU 119 GLY 120 HIS 121 GLU 122 LEU 123 PRO 124 ALA 125 ASP 126 LEU 127 PRO 128 PRO 129 HIS 130 LEU 131 VAL 132 PRO 133 PRO 134 SER 135 LYS 136 ARG 137 ARG 138 HIS 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 16179 EH_domain_of_EHD1 73.38 105 99.02 99.02 9.16e-64 BMRB 16180 EH_domain_of_EHD1 73.38 105 99.02 99.02 9.16e-64 BMRB 16181 EH_domain_of_EHD1 73.38 105 99.02 99.02 9.16e-64 BMRB 16671 EH_domain_of_EHD1 73.38 105 99.02 99.02 9.16e-64 PDB 2JQ6 "Structure Of Eh-Domain Of Ehd1" 100.00 139 100.00 100.00 1.58e-93 PDB 2KFF "Structure Of The C-Terminal Domain Of Ehd1 With Fnyestnpftak" 73.38 105 99.02 99.02 9.16e-64 PDB 2KFG "Structure Of The C-Terminal Domain Of Ehd1 In Complex With Fnyestdpftak" 73.38 105 99.02 99.02 9.16e-64 PDB 2KFH "Structure Of The C-Terminal Domain Of Ehd1 With Fnyestgpftak" 73.38 105 99.02 99.02 9.16e-64 PDB 2KSP "Mechanism For The Selective Interaction Of C-Terminal Eh-Dom Proteins With Specific Npf-Containing Partners" 73.38 105 99.02 99.02 9.16e-64 DBJ BAB28540 "unnamed protein product [Mus musculus]" 96.40 534 98.51 99.25 1.58e-86 DBJ BAC40684 "unnamed protein product [Mus musculus]" 96.40 534 98.51 99.25 1.58e-86 DBJ BAE32742 "unnamed protein product [Mus musculus]" 96.40 534 98.51 99.25 1.58e-86 DBJ BAE35499 "unnamed protein product [Mus musculus]" 96.40 534 98.51 99.25 1.58e-86 DBJ BAE35852 "unnamed protein product [Mus musculus]" 96.40 534 98.51 99.25 1.42e-86 EMBL CAH90816 "hypothetical protein [Pongo abelii]" 96.40 534 100.00 100.00 3.35e-87 GB AAB81204 "Hpast [Homo sapiens]" 96.40 534 99.25 99.25 3.43e-86 GB AAD45423 "EH domain-containing protein EHD1 [Mus musculus]" 96.40 534 98.51 99.25 1.58e-86 GB AAD45866 "EH-domain containing protein testilin [Homo sapiens]" 96.40 534 97.76 98.51 6.25e-85 GB AAF24223 "MPAST1 [Mus musculus]" 96.40 534 98.51 99.25 1.58e-86 GB AAG02009 "similar to Homo sapiens Hpast (HPAST) mRNA with GenBank Accession Number AF001434.1 [Homo sapiens]" 92.81 534 100.00 100.00 7.17e-83 REF NP_001011939 "EH domain-containing protein 1 [Rattus norvegicus]" 96.40 534 98.51 99.25 1.58e-86 REF NP_001015578 "EH domain-containing protein 1 [Bos taurus]" 96.40 534 98.51 100.00 1.60e-86 REF NP_001125465 "EH domain-containing protein 1 [Pongo abelii]" 96.40 534 100.00 100.00 3.35e-87 REF NP_001162473 "EH domain-containing protein 1 [Papio anubis]" 96.40 534 100.00 100.00 3.35e-87 REF NP_001248124 "EH domain-containing protein 1 [Macaca mulatta]" 96.40 534 100.00 100.00 3.35e-87 SP Q5E9R3 "RecName: Full=EH domain-containing protein 1" 96.40 534 98.51 100.00 1.60e-86 SP Q5RBP4 "RecName: Full=EH domain-containing protein 1" 96.40 534 100.00 100.00 3.35e-87 SP Q641Z6 "RecName: Full=EH domain-containing protein 1" 96.40 534 98.51 99.25 1.58e-86 SP Q9H4M9 "RecName: Full=EH domain-containing protein 1; AltName: Full=PAST homolog 1; Short=hPAST1; AltName: Full=Testilin" 96.40 534 100.00 100.00 3.35e-87 SP Q9WVK4 "RecName: Full=EH domain-containing protein 1; AltName: Full=PAST homolog 1; Short=mPAST1" 96.40 534 98.51 99.25 1.58e-86 stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type non-polymer _Name_common "CA (CALCIUM ION)" _BMRB_code . _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 02:01:48 2006 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA N 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $EH_Domain_of_EHD-1 Human 9606 Eukaryota Metazoa Homo sapiens Ehd1 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_EHD-1 'recombinant technology' . Escherichia coli BL21 'Pgex 6P-2' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $EH_Domain_of_EHD-1 1 mM '[U-99% 13C; U-99% 15N]' $CA 3 mM 'natural abundance' PBS 150 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task refinement stop_ _Details . save_ 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details cryoprobe save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNHA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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' 150 . mM 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 water C 13 protons ppm 4.778 internal indirect . . . 0.251449530 water H 1 protons ppm 4.778 internal direct . . . 1.000000000 water N 15 protons ppm 4.778 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $ARIA stop_ loop_ _Experiment_label '3D HNCACB' '3D HN(COCA)CB' '3D HN(CO)CA' '3D HNCO' '3D HNHA' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D HCCH-TOCSY' '3D 1H-13C NOESY' '2D 1H-15N HSQC' '2D 1H-13C HSQC' 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 3 3 LEU H H 8.563 . 1 2 3 3 LEU HA H 4.333 . 1 3 3 3 LEU HB2 H 1.610 . 2 4 3 3 LEU HB3 H 1.610 . 2 5 3 3 LEU HD1 H 0.910 . 2 6 3 3 LEU HD2 H 0.830 . 2 7 3 3 LEU HG H 1.582 . 1 8 3 3 LEU C C 175.770 . 1 9 3 3 LEU CA C 54.140 . 1 10 3 3 LEU CB C 40.996 . 1 11 3 3 LEU CD1 C 23.500 . 1 12 3 3 LEU CD2 C 21.800 . 1 13 3 3 LEU CG C 25.600 . 1 14 3 3 LEU N N 124.260 . 1 15 4 4 GLY H H 8.508 . 1 16 4 4 GLY HA2 H 3.940 . 2 17 4 4 GLY HA3 H 3.990 . 2 18 4 4 GLY C C 173.040 . 1 19 4 4 GLY CA C 44.000 . 1 20 4 4 GLY N N 112.120 . 1 21 5 5 SER H H 8.205 . 1 22 5 5 SER HA H 4.380 . 1 23 5 5 SER HB2 H 3.868 . 2 24 5 5 SER HB3 H 3.868 . 2 25 5 5 SER C C 173.600 . 1 26 5 5 SER CA C 57.200 . 1 27 5 5 SER CB C 62.500 . 1 28 5 5 SER N N 117.404 . 1 29 6 6 GLU H H 8.653 . 1 30 6 6 GLU HA H 4.340 . 1 31 6 6 GLU HB2 H 1.967 . 2 32 6 6 GLU HB3 H 1.967 . 2 33 6 6 GLU HG2 H 2.281 . 2 34 6 6 GLU HG3 H 2.281 . 2 35 6 6 GLU C C 173.560 . 1 36 6 6 GLU CA C 55.970 . 1 37 6 6 GLU CB C 28.440 . 1 38 6 6 GLU CG C 34.400 . 1 39 6 6 GLU N N 124.492 . 1 40 7 7 SER H H 8.229 . 1 41 7 7 SER HA H 4.380 . 1 42 7 7 SER HB2 H 3.868 . 2 43 7 7 SER HB3 H 3.868 . 2 44 7 7 SER C C 172.800 . 1 45 7 7 SER CA C 57.200 . 1 46 7 7 SER CB C 62.240 . 1 47 7 7 SER N N 117.967 . 1 48 8 8 LEU H H 8.132 . 1 49 8 8 LEU HA H 4.385 . 1 50 8 8 LEU HB2 H 1.574 . 2 51 8 8 LEU HB3 H 1.574 . 2 52 8 8 LEU HD1 H 0.910 . 2 53 8 8 LEU HD2 H 0.830 . 2 54 8 8 LEU HG H 1.610 . 1 55 8 8 LEU C C 175.750 . 1 56 8 8 LEU CA C 53.490 . 1 57 8 8 LEU CB C 40.992 . 1 58 8 8 LEU CD1 C 23.500 . 1 59 8 8 LEU CD2 C 21.800 . 1 60 8 8 LEU CG C 25.600 . 1 61 8 8 LEU N N 125.509 . 1 62 9 9 MET H H 8.270 . 1 63 9 9 MET HA H 4.800 . 1 64 9 9 MET HB2 H 1.950 . 2 65 9 9 MET HB3 H 2.050 . 2 66 9 9 MET HE H 2.100 . 1 67 9 9 MET HG2 H 2.563 . 2 68 9 9 MET HG3 H 2.563 . 2 69 9 9 MET C C 173.010 . 1 70 9 9 MET CA C 52.140 . 1 71 9 9 MET CB C 31.000 . 1 72 9 9 MET CE C 15.500 . 1 73 9 9 MET CG C 31.000 . 1 74 9 9 MET N N 123.827 . 1 75 10 10 PRO HA H 4.440 . 1 76 10 10 PRO HB2 H 1.963 . 2 77 10 10 PRO HB3 H 2.309 . 2 78 10 10 PRO HD2 H 3.608 . 2 79 10 10 PRO HD3 H 3.685 . 2 80 10 10 PRO HG2 H 2.020 . 2 81 10 10 PRO HG3 H 2.020 . 2 82 10 10 PRO C C 175.730 . 1 83 10 10 PRO CA C 62.250 . 1 84 10 10 PRO CB C 31.000 . 1 85 10 10 PRO CD C 48.700 . 1 86 10 10 PRO CG C 25.860 . 1 87 11 11 SER H H 8.344 . 1 88 11 11 SER HA H 4.380 . 1 89 11 11 SER HB2 H 3.868 . 2 90 11 11 SER HB3 H 3.868 . 2 91 11 11 SER C C 175.730 . 1 92 11 11 SER CA C 57.280 . 1 93 11 11 SER CB C 62.238 . 1 94 11 11 SER N N 117.068 . 1 95 12 12 GLN H H 8.355 . 1 96 12 12 GLN HA H 4.324 . 1 97 12 12 GLN HB2 H 1.986 . 2 98 12 12 GLN HB3 H 1.986 . 2 99 12 12 GLN HE21 H 7.510 . 2 100 12 12 GLN HE22 H 6.850 . 2 101 12 12 GLN HG2 H 2.300 . 2 102 12 12 GLN HG3 H 2.300 . 2 103 12 12 GLN C C 174.400 . 1 104 12 12 GLN CA C 54.750 . 1 105 12 12 GLN CB C 28.440 . 1 106 12 12 GLN CG C 35.200 . 1 107 12 12 GLN N N 123.610 . 1 108 12 12 GLN NE2 N 114.200 . 1 109 13 13 VAL H H 8.059 . 1 110 13 13 VAL HA H 4.050 . 1 111 13 13 VAL HB H 1.994 . 1 112 13 13 VAL HG1 H 0.906 . 2 113 13 13 VAL HG2 H 0.906 . 2 114 13 13 VAL C C 174.590 . 1 115 13 13 VAL CA C 60.930 . 1 116 13 13 VAL CB C 31.579 . 1 117 13 13 VAL CG1 C 20.000 . 1 118 13 13 VAL CG2 C 20.000 . 1 119 13 13 VAL N N 123.241 . 1 120 14 14 VAL H H 8.197 . 1 121 14 14 VAL HA H 4.125 . 1 122 14 14 VAL HB H 2.040 . 1 123 14 14 VAL HG1 H 0.906 . 2 124 14 14 VAL HG2 H 0.906 . 2 125 14 14 VAL C C 174.590 . 1 126 14 14 VAL CA C 60.930 . 1 127 14 14 VAL CB C 31.579 . 1 128 14 14 VAL CG1 C 20.000 . 1 129 14 14 VAL CG2 C 20.000 . 1 130 14 14 VAL N N 126.482 . 1 131 15 15 LYS H H 8.441 . 1 132 15 15 LYS HA H 4.315 . 1 133 15 15 LYS HB2 H 1.780 . 2 134 15 15 LYS HB3 H 1.780 . 2 135 15 15 LYS HD2 H 1.650 . 2 136 15 15 LYS HD3 H 1.650 . 2 137 15 15 LYS HE2 H 2.980 . 2 138 15 15 LYS HE3 H 2.980 . 2 139 15 15 LYS HG2 H 1.420 . 2 140 15 15 LYS HG3 H 1.420 . 2 141 15 15 LYS C C 175.570 . 1 142 15 15 LYS CA C 55.340 . 1 143 15 15 LYS CB C 31.610 . 1 144 15 15 LYS CD C 27.500 . 1 145 15 15 LYS CE C 40.700 . 1 146 15 15 LYS CG C 23.000 . 1 147 15 15 LYS N N 127.770 . 1 148 16 16 GLY H H 8.489 . 1 149 16 16 GLY HA2 H 3.934 . 2 150 16 16 GLY HA3 H 3.996 . 2 151 16 16 GLY C C 173.030 . 1 152 16 16 GLY CA C 44.000 . 1 153 16 16 GLY N N 112.507 . 1 154 17 17 GLY H H 8.266 . 1 155 17 17 GLY HA2 H 3.934 . 2 156 17 17 GLY HA3 H 3.996 . 2 157 17 17 GLY C C 172.450 . 1 158 17 17 GLY CA C 44.000 . 1 159 17 17 GLY N N 110.548 . 1 160 18 18 ALA H H 8.148 . 1 161 18 18 ALA HA H 4.237 . 1 162 18 18 ALA HB H 1.225 . 1 163 18 18 ALA C C 176.160 . 1 164 18 18 ALA CA C 51.000 . 1 165 18 18 ALA CB C 17.870 . 1 166 18 18 ALA N N 125.116 . 1 167 19 19 PHE H H 8.255 . 1 168 19 19 PHE HA H 4.525 . 1 169 19 19 PHE HB2 H 3.100 . 2 170 19 19 PHE HB3 H 3.100 . 2 171 19 19 PHE HD1 H 7.180 . 3 172 19 19 PHE HD2 H 7.180 . 3 173 19 19 PHE HE1 H 7.300 . 3 174 19 19 PHE HE2 H 7.300 . 3 175 19 19 PHE HZ H 7.270 . 1 176 19 19 PHE C C 174.190 . 1 177 19 19 PHE CA C 56.192 . 1 178 19 19 PHE CB C 37.819 . 1 179 19 19 PHE CD1 C 131.500 . 3 180 19 19 PHE CD2 C 131.500 . 3 181 19 19 PHE CE1 C 131.500 . 3 182 19 19 PHE CE2 C 131.500 . 3 183 19 19 PHE CZ C 131.500 . 1 184 19 19 PHE N N 120.862 . 1 185 20 20 ASP H H 8.091 . 1 186 20 20 ASP HA H 4.560 . 1 187 20 20 ASP HB2 H 2.595 . 2 188 20 20 ASP HB3 H 2.658 . 2 189 20 20 ASP C C 175.180 . 1 190 20 20 ASP CA C 52.900 . 1 191 20 20 ASP CB C 39.800 . 1 192 20 20 ASP N N 124.219 . 1 193 21 21 GLY H H 7.970 . 1 194 21 21 GLY HA2 H 3.868 . 2 195 21 21 GLY HA3 H 3.868 . 2 196 21 21 GLY C C 173.410 . 1 197 21 21 GLY CA C 44.200 . 1 198 21 21 GLY N N 111.020 . 1 199 22 22 THR H H 8.119 . 1 200 22 22 THR HA H 4.324 . 1 201 22 22 THR HB H 4.210 . 1 202 22 22 THR HG2 H 1.180 . 1 203 22 22 THR C C 173.410 . 1 204 22 22 THR CA C 60.980 . 1 205 22 22 THR CB C 68.500 . 1 206 22 22 THR CG2 C 20.110 . 1 207 22 22 THR N N 115.083 . 1 208 23 23 MET H H 8.352 . 1 209 23 23 MET HA H 4.521 . 1 210 23 23 MET HB2 H 1.974 . 2 211 23 23 MET HB3 H 2.112 . 2 212 23 23 MET HE H 2.100 . 1 213 23 23 MET HG2 H 2.512 . 2 214 23 23 MET HG3 H 2.512 . 2 215 23 23 MET C C 174.400 . 1 216 23 23 MET CA C 54.160 . 1 217 23 23 MET CB C 31.000 . 1 218 23 23 MET CE C 15.500 . 1 219 23 23 MET CG C 31.000 . 1 220 23 23 MET N N 123.630 . 1 221 24 24 ASN H H 8.330 . 1 222 24 24 ASN HA H 4.452 . 1 223 24 24 ASN HB2 H 2.794 . 2 224 24 24 ASN HB3 H 2.904 . 2 225 24 24 ASN HD21 H 7.530 . 2 226 24 24 ASN HD22 H 6.890 . 2 227 24 24 ASN C C 171.950 . 1 228 24 24 ASN CA C 51.600 . 1 229 24 24 ASN CB C 37.880 . 1 230 24 24 ASN N N 120.822 . 1 231 24 24 ASN ND2 N 114.440 . 1 232 25 25 GLY H H 8.075 . 1 233 25 25 GLY HA2 H 3.807 . 2 234 25 25 GLY HA3 H 3.807 . 2 235 25 25 GLY C C 171.070 . 1 236 25 25 GLY CA C 43.400 . 1 237 25 25 GLY N N 110.707 . 1 238 26 26 PRO HA H 4.125 . 1 239 26 26 PRO HB2 H 2.045 . 2 240 26 26 PRO HB3 H 2.315 . 2 241 26 26 PRO HD2 H 3.313 . 2 242 26 26 PRO HD3 H 3.390 . 2 243 26 26 PRO HG2 H 1.920 . 2 244 26 26 PRO HG3 H 1.920 . 2 245 26 26 PRO C C 175.170 . 1 246 26 26 PRO CA C 62.250 . 1 247 26 26 PRO CB C 30.370 . 1 248 26 26 PRO CD C 48.100 . 1 249 26 26 PRO CG C 25.300 . 1 250 27 27 PHE H H 8.059 . 1 251 27 27 PHE HA H 4.525 . 1 252 27 27 PHE HB2 H 2.855 . 2 253 27 27 PHE HB3 H 2.855 . 2 254 27 27 PHE HD1 H 7.200 . 3 255 27 27 PHE HD2 H 7.230 . 3 256 27 27 PHE HE1 H 7.300 . 3 257 27 27 PHE HE2 H 7.300 . 3 258 27 27 PHE HZ H 7.270 . 1 259 27 27 PHE C C 174.590 . 1 260 27 27 PHE CA C 56.070 . 1 261 27 27 PHE CB C 37.580 . 1 262 27 27 PHE CD1 C 131.500 . 3 263 27 27 PHE CD2 C 131.500 . 3 264 27 27 PHE CE1 C 131.500 . 3 265 27 27 PHE CE2 C 131.500 . 3 266 27 27 PHE CZ C 131.500 . 1 267 27 27 PHE N N 120.393 . 1 268 28 28 GLY H H 7.968 . 1 269 28 28 GLY HA2 H 3.868 . 2 270 28 28 GLY HA3 H 3.868 . 2 271 28 28 GLY C C 172.440 . 1 272 28 28 GLY CA C 44.170 . 1 273 28 28 GLY N N 111.330 . 1 274 29 29 HIS H H 8.197 . 1 275 29 29 HIS HA H 4.680 . 1 276 29 29 HIS HB2 H 2.864 . 2 277 29 29 HIS HB3 H 3.040 . 2 278 29 29 HIS HD2 H 7.100 . 1 279 29 29 HIS C C 174.200 . 1 280 29 29 HIS CA C 54.760 . 1 281 29 29 HIS CB C 29.100 . 1 282 29 29 HIS CD2 C 120.000 . 1 283 29 29 HIS N N 120.453 . 1 284 30 30 GLY H H 8.425 . 1 285 30 30 GLY HA2 H 3.864 . 2 286 30 30 GLY HA3 H 3.864 . 2 287 30 30 GLY C C 172.630 . 1 288 30 30 GLY CA C 44.060 . 1 289 30 30 GLY N N 111.722 . 1 290 31 31 TYR H H 8.197 . 1 291 31 31 TYR HA H 4.515 . 1 292 31 31 TYR HB2 H 2.908 . 2 293 31 31 TYR HB3 H 3.021 . 2 294 31 31 TYR HD1 H 7.182 . 3 295 31 31 TYR HD2 H 7.122 . 3 296 31 31 TYR HE1 H 6.928 . 3 297 31 31 TYR HE2 H 6.928 . 3 298 31 31 TYR C C 174.990 . 1 299 31 31 TYR CA C 56.880 . 1 300 31 31 TYR CB C 37.242 . 1 301 31 31 TYR CD1 C 131.200 . 3 302 31 31 TYR CD2 C 131.200 . 3 303 31 31 TYR N N 122.031 . 1 304 32 32 GLY H H 8.401 . 1 305 32 32 GLY HA2 H 3.803 . 2 306 32 32 GLY HA3 H 3.803 . 2 307 32 32 GLY C C 172.650 . 1 308 32 32 GLY CA C 44.060 . 1 309 32 32 GLY N N 112.777 . 1 310 33 33 GLU H H 8.238 . 1 311 33 33 GLU HA H 4.250 . 1 312 33 33 GLU HB2 H 1.907 . 2 313 33 33 GLU HB3 H 1.907 . 2 314 33 33 GLU HG2 H 2.186 . 2 315 33 33 GLU HG3 H 2.186 . 2 316 33 33 GLU C C 175.760 . 1 317 33 33 GLU CA C 55.300 . 1 318 33 33 GLU CB C 29.100 . 1 319 33 33 GLU CG C 35.000 . 1 320 33 33 GLU N N 122.227 . 1 321 34 34 GLY H H 8.498 . 1 322 34 34 GLY HA2 H 3.870 . 2 323 34 34 GLY HA3 H 3.870 . 2 324 34 34 GLY C C 172.640 . 1 325 34 34 GLY CA C 44.000 . 1 326 34 34 GLY N N 111.957 . 1 327 35 35 ALA H H 8.197 . 1 328 35 35 ALA HA H 4.300 . 1 329 35 35 ALA HB H 1.330 . 1 330 35 35 ALA C C 176.740 . 1 331 35 35 ALA CA C 51.000 . 1 332 35 35 ALA CB C 17.870 . 1 333 35 35 ALA N N 125.545 . 1 334 36 36 GLY H H 8.384 . 1 335 36 36 GLY HA2 H 3.868 . 2 336 36 36 GLY HA3 H 3.868 . 2 337 36 36 GLY C C 172.830 . 1 338 36 36 GLY CA C 44.000 . 1 339 36 36 GLY N N 109.924 . 1 340 37 37 GLU H H 8.246 . 1 341 37 37 GLU HA H 4.250 . 1 342 37 37 GLU HB2 H 1.907 . 2 343 37 37 GLU HB3 H 1.907 . 2 344 37 37 GLU HG2 H 2.186 . 2 345 37 37 GLU HG3 H 2.186 . 2 346 37 37 GLU C C 175.760 . 1 347 37 37 GLU CA C 55.300 . 1 348 37 37 GLU CB C 29.100 . 1 349 37 37 GLU CG C 35.000 . 1 350 37 37 GLU N N 122.108 . 1 351 38 38 GLY H H 8.552 . 1 352 38 38 GLY HA2 H 3.927 . 2 353 38 38 GLY HA3 H 3.927 . 2 354 38 38 GLY C C 172.840 . 1 355 38 38 GLY CA C 44.000 . 1 356 38 38 GLY N N 112.089 . 1 357 39 39 ILE H H 7.921 . 1 358 39 39 ILE HA H 4.120 . 1 359 39 39 ILE HB H 1.800 . 1 360 39 39 ILE HD1 H 0.791 . 1 361 39 39 ILE HG12 H 1.068 . 1 362 39 39 ILE HG13 H 1.338 . 1 363 39 39 ILE HG2 H 0.831 . 1 364 39 39 ILE C C 174.600 . 1 365 39 39 ILE CA C 59.750 . 1 366 39 39 ILE CB C 37.200 . 1 367 39 39 ILE CD1 C 11.500 . 1 368 39 39 ILE CG1 C 25.800 . 1 369 39 39 ILE CG2 C 15.570 . 1 370 39 39 ILE N N 121.250 . 1 371 40 40 ASP H H 8.368 . 1 372 40 40 ASP HA H 4.595 . 1 373 40 40 ASP HB2 H 2.595 . 2 374 40 40 ASP HB3 H 2.658 . 2 375 40 40 ASP C C 174.590 . 1 376 40 40 ASP CA C 52.900 . 1 377 40 40 ASP CB C 39.760 . 1 378 40 40 ASP N N 124.923 . 1 379 41 41 ASP H H 8.173 . 1 380 41 41 ASP HA H 4.595 . 1 381 41 41 ASP HB2 H 2.595 . 2 382 41 41 ASP HB3 H 2.658 . 2 383 41 41 ASP C C 174.780 . 1 384 41 41 ASP CA C 52.900 . 1 385 41 41 ASP CB C 39.760 . 1 386 41 41 ASP N N 122.615 . 1 387 42 42 VAL H H 7.947 . 1 388 42 42 VAL HA H 4.130 . 1 389 42 42 VAL HB H 2.092 . 1 390 42 42 VAL HG1 H 0.912 . 2 391 42 42 VAL HG2 H 0.895 . 2 392 42 42 VAL C C 174.600 . 1 393 42 42 VAL CA C 60.460 . 1 394 42 42 VAL CB C 31.579 . 1 395 42 42 VAL CG1 C 21.500 . 1 396 42 42 VAL CG2 C 19.000 . 1 397 42 42 VAL N N 120.935 . 1 398 43 43 GLU H H 8.494 . 1 399 43 43 GLU HA H 4.250 . 1 400 43 43 GLU HB2 H 1.981 . 2 401 43 43 GLU HB3 H 1.981 . 2 402 43 43 GLU HG2 H 2.234 . 2 403 43 43 GLU HG3 H 2.234 . 2 404 43 43 GLU C C 174.780 . 1 405 43 43 GLU CA C 55.300 . 1 406 43 43 GLU CB C 29.120 . 1 407 43 43 GLU CG C 31.500 . 1 408 43 43 GLU N N 127.422 . 1 409 44 44 TRP H H 8.831 . 1 410 44 44 TRP HA H 5.190 . 1 411 44 44 TRP HB2 H 2.850 . 2 412 44 44 TRP HB3 H 3.524 . 2 413 44 44 TRP HD1 H 7.480 . 1 414 44 44 TRP HE1 H 9.460 . 1 415 44 44 TRP HE3 H 7.680 . 1 416 44 44 TRP HH2 H 7.317 . 1 417 44 44 TRP HZ2 H 7.238 . 1 418 44 44 TRP HZ3 H 7.100 . 1 419 44 44 TRP CA C 54.110 . 1 420 44 44 TRP CB C 27.000 . 1 421 44 44 TRP CD1 C 127.600 . 3 422 44 44 TRP CE3 C 122.000 . 1 423 44 44 TRP CH2 C 124.600 . 1 424 44 44 TRP CZ2 C 112.600 . 1 425 44 44 TRP CZ3 C 121.300 . 1 426 44 44 TRP N N 125.901 . 1 427 45 45 VAL H H 9.190 . 1 428 45 45 VAL HA H 3.865 . 1 429 45 45 VAL HB H 2.118 . 1 430 45 45 VAL HG1 H 0.805 . 2 431 45 45 VAL HG2 H 0.805 . 2 432 45 45 VAL CA C 63.500 . 1 433 45 45 VAL CB C 30.420 . 1 434 45 45 VAL CG1 C 18.700 . 1 435 45 45 VAL CG2 C 19.500 . 1 436 45 45 VAL N N 130.970 . 1 437 46 46 VAL HA H 3.022 . 1 438 46 46 VAL HB H -1.219 . 1 439 46 46 VAL HG1 H -0.175 . 2 440 46 46 VAL HG2 H 0.505 . 2 441 46 46 VAL C C 173.400 . 1 442 46 46 VAL CA C 60.700 . 1 443 46 46 VAL CB C 29.280 . 1 444 46 46 VAL CG1 C 20.700 . 1 445 46 46 VAL CG2 C 22.420 . 1 446 47 47 GLY H H 7.330 . 1 447 47 47 GLY HA2 H 3.536 . 2 448 47 47 GLY HA3 H 4.133 . 2 449 47 47 GLY C C 174.780 . 1 450 47 47 GLY CA C 46.600 . 1 451 47 47 GLY N N 105.900 . 1 452 48 48 LYS H H 7.578 . 1 453 48 48 LYS HA H 4.048 . 1 454 48 48 LYS HB2 H 1.712 . 2 455 48 48 LYS HB3 H 1.789 . 2 456 48 48 LYS HD2 H 1.642 . 2 457 48 48 LYS HD3 H 1.642 . 2 458 48 48 LYS HE2 H 3.012 . 2 459 48 48 LYS HE3 H 3.012 . 2 460 48 48 LYS HG2 H 1.350 . 2 461 48 48 LYS HG3 H 1.350 . 2 462 48 48 LYS C C 175.570 . 1 463 48 48 LYS CA C 57.110 . 1 464 48 48 LYS CB C 30.420 . 1 465 48 48 LYS CD C 27.500 . 1 466 48 48 LYS CE C 40.700 . 1 467 48 48 LYS CG C 22.420 . 1 468 48 48 LYS N N 120.668 . 1 469 49 49 ASP H H 7.286 . 1 470 49 49 ASP HA H 4.778 . 1 471 49 49 ASP HB2 H 2.303 . 2 472 49 49 ASP HB3 H 2.303 . 2 473 49 49 ASP C C 173.810 . 1 474 49 49 ASP CA C 52.880 . 1 475 49 49 ASP CB C 41.650 . 1 476 49 49 ASP N N 117.776 . 1 477 50 50 LYS H H 7.489 . 1 478 50 50 LYS HA H 4.040 . 1 479 50 50 LYS HB2 H 2.250 . 2 480 50 50 LYS HB3 H 2.280 . 2 481 50 50 LYS HD2 H 1.640 . 2 482 50 50 LYS HD3 H 1.640 . 2 483 50 50 LYS HE2 H 2.820 . 2 484 50 50 LYS HE3 H 3.150 . 2 485 50 50 LYS HG2 H 1.500 . 2 486 50 50 LYS HG3 H 1.850 . 2 487 50 50 LYS HZ H 8.630 . 1 488 50 50 LYS C C 171.270 . 1 489 50 50 LYS CA C 60.230 . 1 490 50 50 LYS CB C 30.193 . 1 491 50 50 LYS CD C 28.100 . 1 492 50 50 LYS CE C 40.700 . 1 493 50 50 LYS CG C 24.700 . 1 494 50 50 LYS N N 123.278 . 1 495 51 51 PRO HA H 4.415 . 1 496 51 51 PRO HB2 H 1.825 . 2 497 51 51 PRO HB3 H 2.394 . 2 498 51 51 PRO HD2 H 3.401 . 2 499 51 51 PRO HD3 H 3.751 . 2 500 51 51 PRO HG2 H 2.047 . 2 501 51 51 PRO HG3 H 2.047 . 2 502 51 51 PRO C C 178.110 . 1 503 51 51 PRO CA C 65.385 . 1 504 51 51 PRO CB C 29.740 . 1 505 51 51 PRO CD C 48.100 . 1 506 51 51 PRO CG C 25.300 . 1 507 52 52 THR H H 7.270 . 1 508 52 52 THR HA H 3.970 . 1 509 52 52 THR HB H 3.930 . 1 510 52 52 THR HG2 H 1.120 . 1 511 52 52 THR C C 175.170 . 1 512 52 52 THR CA C 64.730 . 1 513 52 52 THR CB C 67.250 . 1 514 52 52 THR CG2 C 20.100 . 1 515 52 52 THR N N 114.690 . 1 516 53 53 TYR H H 7.057 . 1 517 53 53 TYR HA H 4.716 . 1 518 53 53 TYR HB2 H 3.125 . 2 519 53 53 TYR HB3 H 3.247 . 2 520 53 53 TYR HD1 H 6.760 . 3 521 53 53 TYR HD2 H 6.760 . 3 522 53 53 TYR HE1 H 6.760 . 3 523 53 53 TYR HE2 H 6.760 . 3 524 53 53 TYR C C 177.710 . 1 525 53 53 TYR CA C 57.110 . 1 526 53 53 TYR CB C 35.277 . 1 527 53 53 TYR CD1 C 131.300 . 3 528 53 53 TYR CD2 C 131.300 . 3 529 53 53 TYR CE1 C 118.600 . 3 530 53 53 TYR CE2 C 118.600 . 3 531 53 53 TYR N N 125.038 . 1 532 54 54 ASP H H 9.565 . 1 533 54 54 ASP HA H 4.492 . 1 534 54 54 ASP HB2 H 2.788 . 2 535 54 54 ASP HB3 H 2.909 . 2 536 54 54 ASP C C 176.150 . 1 537 54 54 ASP CA C 55.400 . 1 538 54 54 ASP CB C 38.500 . 1 539 54 54 ASP N N 124.208 . 1 540 55 55 GLU H H 7.286 . 1 541 55 55 GLU HA H 4.136 . 1 542 55 55 GLU HB2 H 2.166 . 2 543 55 55 GLU HB3 H 2.204 . 2 544 55 55 GLU HG2 H 2.368 . 2 545 55 55 GLU HG3 H 2.569 . 2 546 55 55 GLU C C 178.090 . 1 547 55 55 GLU CA C 57.880 . 1 548 55 55 GLU CB C 28.500 . 1 549 55 55 GLU CG C 35.000 . 1 550 55 55 GLU N N 117.776 . 1 551 56 56 ILE H H 7.228 . 1 552 56 56 ILE HA H 3.924 . 1 553 56 56 ILE HB H 2.400 . 1 554 56 56 ILE HD1 H 1.055 . 1 555 56 56 ILE HG12 H 1.316 . 1 556 56 56 ILE HG13 H 1.924 . 1 557 56 56 ILE HG2 H 1.106 . 1 558 56 56 ILE C C 177.720 . 1 559 56 56 ILE CA C 62.500 . 1 560 56 56 ILE CB C 37.868 . 1 561 56 56 ILE CD1 C 11.500 . 1 562 56 56 ILE CG1 C 26.400 . 1 563 56 56 ILE CG2 C 16.200 . 1 564 56 56 ILE N N 118.595 . 1 565 57 57 PHE H H 9.085 . 1 566 57 57 PHE HA H 3.069 . 1 567 57 57 PHE HB2 H 3.074 . 2 568 57 57 PHE HB3 H 3.269 . 2 569 57 57 PHE HD1 H 7.580 . 3 570 57 57 PHE HD2 H 7.580 . 3 571 57 57 PHE HE1 H 7.260 . 3 572 57 57 PHE HE2 H 7.270 . 3 573 57 57 PHE HZ H 6.830 . 1 574 57 57 PHE C C 175.360 . 1 575 57 57 PHE CA C 61.200 . 1 576 57 57 PHE CB C 38.281 . 1 577 57 57 PHE CD1 C 133.300 . 3 578 57 57 PHE CD2 C 133.300 . 3 579 57 57 PHE CE1 C 130.000 . 3 580 57 57 PHE CE2 C 130.000 . 3 581 57 57 PHE CZ C 131.300 . 1 582 57 57 PHE N N 127.184 . 1 583 58 58 TYR H H 7.888 . 1 584 58 58 TYR HA H 3.990 . 1 585 58 58 TYR HB2 H 2.886 . 2 586 58 58 TYR HB3 H 3.375 . 2 587 58 58 TYR HD1 H 7.391 . 3 588 58 58 TYR HD2 H 7.313 . 3 589 58 58 TYR HE1 H 6.870 . 3 590 58 58 TYR HE2 H 6.870 . 3 591 58 58 TYR C C 175.760 . 1 592 58 58 TYR CA C 60.237 . 1 593 58 58 TYR CB C 36.086 . 1 594 58 58 TYR CD1 C 133.300 . 3 595 58 58 TYR CD2 C 133.300 . 3 596 58 58 TYR CE1 C 117.300 . 3 597 58 58 TYR CE2 C 117.300 . 3 598 58 58 TYR N N 112.386 . 1 599 59 59 THR H H 8.059 . 1 600 59 59 THR HA H 4.650 . 1 601 59 59 THR HB H 4.517 . 1 602 59 59 THR HG2 H 1.449 . 1 603 59 59 THR C C 174.010 . 1 604 59 59 THR CA C 61.629 . 1 605 59 59 THR CB C 68.515 . 1 606 59 59 THR CG2 C 20.100 . 1 607 59 59 THR N N 112.312 . 1 608 60 60 LEU H H 7.350 . 1 609 60 60 LEU HA H 4.443 . 1 610 60 60 LEU HB2 H 1.293 . 2 611 60 60 LEU HB3 H 1.500 . 2 612 60 60 LEU HD1 H 0.472 . 2 613 60 60 LEU HD2 H 0.675 . 2 614 60 60 LEU HG H 1.596 . 1 615 60 60 LEU C C 172.450 . 1 616 60 60 LEU CA C 52.904 . 1 617 60 60 LEU CB C 38.500 . 1 618 60 60 LEU CD1 C 25.850 . 1 619 60 60 LEU CD2 C 20.700 . 1 620 60 60 LEU CG C 24.150 . 1 621 60 60 LEU N N 125.235 . 1 622 61 61 SER H H 7.839 . 1 623 61 61 SER HA H 3.975 . 1 624 61 61 SER HB2 H 3.907 . 2 625 61 61 SER HB3 H 3.988 . 2 626 61 61 SER C C 172.450 . 1 627 61 61 SER CA C 55.990 . 1 628 61 61 SER CB C 60.375 . 1 629 61 61 SER N N 111.211 . 1 630 62 62 PRO HA H 4.180 . 1 631 62 62 PRO HB2 H 1.195 . 2 632 62 62 PRO HB3 H 1.538 . 2 633 62 62 PRO HD2 H 3.096 . 2 634 62 62 PRO HD3 H 3.435 . 2 635 62 62 PRO HG2 H 1.252 . 2 636 62 62 PRO HG3 H 1.863 . 2 637 62 62 PRO C C 175.950 . 1 638 62 62 PRO CA C 61.600 . 1 639 62 62 PRO CB C 29.750 . 1 640 62 62 PRO CD C 48.700 . 1 641 62 62 PRO CG C 26.400 . 1 642 63 63 VAL H H 8.726 . 1 643 63 63 VAL HA H 4.205 . 1 644 63 63 VAL HB H 1.950 . 1 645 63 63 VAL HG1 H 0.910 . 2 646 63 63 VAL HG2 H 0.924 . 2 647 63 63 VAL C C 175.750 . 1 648 63 63 VAL CA C 60.369 . 1 649 63 63 VAL CB C 32.878 . 1 650 63 63 VAL CG1 C 19.000 . 1 651 63 63 VAL CG2 C 19.500 . 1 652 63 63 VAL N N 123.943 . 1 653 64 64 ASN H H 9.703 . 1 654 64 64 ASN HA H 4.402 . 1 655 64 64 ASN HB2 H 2.805 . 2 656 64 64 ASN HB3 H 3.092 . 2 657 64 64 ASN HD21 H 7.650 . 2 658 64 64 ASN HD22 H 6.920 . 2 659 64 64 ASN C C 174.210 . 1 660 64 64 ASN CA C 52.940 . 1 661 64 64 ASN CB C 36.000 . 1 662 64 64 ASN N N 129.450 . 1 663 64 64 ASN ND2 N 114.900 . 1 664 65 65 GLY H H 8.840 . 1 665 65 65 GLY HA2 H 3.730 . 2 666 65 65 GLY HA3 H 4.253 . 2 667 65 65 GLY C C 172.820 . 1 668 65 65 GLY CA C 44.130 . 1 669 65 65 GLY N N 103.484 . 1 670 66 66 LYS H H 7.489 . 1 671 66 66 LYS HA H 5.399 . 1 672 66 66 LYS HB2 H 1.710 . 2 673 66 66 LYS HB3 H 1.715 . 2 674 66 66 LYS HD2 H 1.570 . 2 675 66 66 LYS HD3 H 1.740 . 2 676 66 66 LYS HE2 H 3.060 . 2 677 66 66 LYS HE3 H 2.920 . 2 678 66 66 LYS HG2 H 1.307 . 2 679 66 66 LYS HG3 H 1.446 . 2 680 66 66 LYS C C 174.600 . 1 681 66 66 LYS CA C 53.600 . 1 682 66 66 LYS CB C 36.540 . 1 683 66 66 LYS CD C 28.100 . 1 684 66 66 LYS CE C 41.200 . 1 685 66 66 LYS CG C 24.100 . 1 686 66 66 LYS N N 118.362 . 1 687 67 67 ILE H H 9.207 . 1 688 67 67 ILE HA H 4.979 . 1 689 67 67 ILE HB H 1.791 . 1 690 67 67 ILE HD1 H 0.439 . 1 691 67 67 ILE HG12 H 1.441 . 1 692 67 67 ILE HG13 H 1.441 . 1 693 67 67 ILE HG2 H -0.035 . 1 694 67 67 ILE C C 174.200 . 1 695 67 67 ILE CA C 57.276 . 1 696 67 67 ILE CB C 39.700 . 1 697 67 67 ILE CD1 C 14.300 . 1 698 67 67 ILE CG1 C 23.000 . 1 699 67 67 ILE CG2 C 15.570 . 1 700 67 67 ILE N N 117.774 . 1 701 68 68 THR H H 8.261 . 1 702 68 68 THR HA H 4.501 . 1 703 68 68 THR HB H 4.712 . 1 704 68 68 THR HG2 H 1.335 . 1 705 68 68 THR C C 174.780 . 1 706 68 68 THR CA C 59.094 . 1 707 68 68 THR CB C 69.762 . 1 708 68 68 THR CG2 C 20.700 . 1 709 68 68 THR N N 111.798 . 1 710 69 69 GLY H H 8.930 . 1 711 69 69 GLY HA2 H 3.541 . 2 712 69 69 GLY HA3 H 3.800 . 2 713 69 69 GLY C C 174.600 . 1 714 69 69 GLY CA C 46.600 . 1 715 69 69 GLY N N 109.960 . 1 716 70 70 ALA H H 8.337 . 1 717 70 70 ALA HA H 3.930 . 1 718 70 70 ALA HB H 1.300 . 1 719 70 70 ALA C C 179.090 . 1 720 70 70 ALA CA C 53.500 . 1 721 70 70 ALA CB C 17.240 . 1 722 70 70 ALA N N 123.480 . 1 723 71 71 ASN H H 7.562 . 1 724 71 71 ASN HA H 4.641 . 1 725 71 71 ASN HB2 H 2.532 . 2 726 71 71 ASN HB3 H 2.850 . 2 727 71 71 ASN HD21 H 8.107 . 2 728 71 71 ASN HD22 H 7.088 . 2 729 71 71 ASN C C 175.970 . 1 730 71 71 ASN CA C 54.108 . 1 731 71 71 ASN CB C 36.000 . 1 732 71 71 ASN N N 118.164 . 1 733 71 71 ASN ND2 N 116.300 . 1 734 72 72 ALA H H 8.792 . 1 735 72 72 ALA HA H 4.090 . 1 736 72 72 ALA HB H 1.780 . 1 737 72 72 ALA C C 178.880 . 1 738 72 72 ALA CA C 54.129 . 1 739 72 72 ALA CB C 17.880 . 1 740 72 72 ALA N N 123.359 . 1 741 73 73 LYS H H 8.815 . 1 742 73 73 LYS HA H 3.945 . 1 743 73 73 LYS HB2 H 1.680 . 2 744 73 73 LYS HB3 H 1.785 . 2 745 73 73 LYS HD2 H 1.272 . 2 746 73 73 LYS HD3 H 1.272 . 2 747 73 73 LYS HE2 H 2.077 . 2 748 73 73 LYS HE3 H 2.280 . 2 749 73 73 LYS HG2 H 1.150 . 2 750 73 73 LYS HG3 H 1.320 . 2 751 73 73 LYS C C 176.340 . 1 752 73 73 LYS CA C 59.130 . 1 753 73 73 LYS CB C 31.031 . 1 754 73 73 LYS CD C 24.700 . 1 755 73 73 LYS CE C 40.100 . 1 756 73 73 LYS CG C 27.500 . 1 757 73 73 LYS N N 119.497 . 1 758 74 74 LYS H H 7.366 . 1 759 74 74 LYS HA H 3.988 . 1 760 74 74 LYS HB2 H 1.979 . 2 761 74 74 LYS HB3 H 1.979 . 2 762 74 74 LYS HD2 H 1.735 . 2 763 74 74 LYS HD3 H 1.735 . 2 764 74 74 LYS HE2 H 2.960 . 2 765 74 74 LYS HE3 H 2.960 . 2 766 74 74 LYS HG2 H 1.480 . 2 767 74 74 LYS HG3 H 1.510 . 2 768 74 74 LYS C C 176.740 . 1 769 74 74 LYS CA C 58.470 . 1 770 74 74 LYS CB C 31.083 . 1 771 74 74 LYS CD C 28.700 . 1 772 74 74 LYS CE C 40.700 . 1 773 74 74 LYS CG C 24.200 . 1 774 74 74 LYS N N 119.059 . 1 775 75 75 GLU H H 7.123 . 1 776 75 75 GLU HA H 4.377 . 1 777 75 75 GLU HB2 H 1.993 . 2 778 75 75 GLU HB3 H 2.185 . 2 779 75 75 GLU HG2 H 2.340 . 2 780 75 75 GLU HG3 H 2.420 . 2 781 75 75 GLU C C 178.300 . 1 782 75 75 GLU CA C 56.020 . 1 783 75 75 GLU CB C 28.500 . 1 784 75 75 GLU CG C 34.500 . 1 785 75 75 GLU N N 117.855 . 1 786 76 76 MET H H 8.491 . 1 787 76 76 MET HA H 3.997 . 1 788 76 76 MET HB2 H 2.162 . 2 789 76 76 MET HB3 H 2.217 . 2 790 76 76 MET HE H 2.094 . 1 791 76 76 MET HG2 H 2.957 . 2 792 76 76 MET HG3 H 2.957 . 2 793 76 76 MET C C 177.520 . 1 794 76 76 MET CA C 58.510 . 1 795 76 76 MET CB C 33.500 . 1 796 76 76 MET CE C 16.100 . 1 797 76 76 MET CG C 30.500 . 1 798 76 76 MET N N 120.777 . 1 799 77 77 VAL H H 8.539 . 1 800 77 77 VAL HA H 3.994 . 1 801 77 77 VAL HB H 2.319 . 1 802 77 77 VAL HG1 H 1.071 . 2 803 77 77 VAL HG2 H 1.042 . 2 804 77 77 VAL C C 177.130 . 1 805 77 77 VAL CA C 63.490 . 1 806 77 77 VAL CB C 30.370 . 1 807 77 77 VAL CG1 C 17.200 . 1 808 77 77 VAL CG2 C 19.500 . 1 809 77 77 VAL N N 117.890 . 1 810 78 78 LYS H H 7.432 . 1 811 78 78 LYS HA H 4.090 . 1 812 78 78 LYS HB2 H 1.980 . 2 813 78 78 LYS HB3 H 2.013 . 2 814 78 78 LYS HD2 H 1.740 . 2 815 78 78 LYS HD3 H 1.760 . 2 816 78 78 LYS HE2 H 2.960 . 2 817 78 78 LYS HE3 H 2.960 . 2 818 78 78 LYS HG2 H 1.436 . 2 819 78 78 LYS HG3 H 1.700 . 2 820 78 78 LYS C C 175.760 . 1 821 78 78 LYS CA C 57.820 . 1 822 78 78 LYS CB C 30.990 . 1 823 78 78 LYS CD C 28.700 . 1 824 78 78 LYS CE C 40.700 . 1 825 78 78 LYS CG C 24.700 . 1 826 78 78 LYS N N 123.689 . 1 827 79 79 SER H H 7.562 . 1 828 79 79 SER HA H 4.068 . 1 829 79 79 SER HB2 H 3.831 . 2 830 79 79 SER HB3 H 4.185 . 2 831 79 79 SER C C 173.410 . 1 832 79 79 SER CA C 59.110 . 1 833 79 79 SER CB C 64.760 . 1 834 79 79 SER N N 114.378 . 1 835 80 80 LYS H H 7.830 . 1 836 80 80 LYS HA H 3.940 . 1 837 80 80 LYS HB2 H 2.193 . 2 838 80 80 LYS HB3 H 2.040 . 2 839 80 80 LYS HD2 H 1.710 . 2 840 80 80 LYS HD3 H 1.710 . 2 841 80 80 LYS HE2 H 3.020 . 2 842 80 80 LYS HE3 H 3.030 . 2 843 80 80 LYS HG2 H 1.425 . 2 844 80 80 LYS HG3 H 1.425 . 2 845 80 80 LYS C C 174.590 . 1 846 80 80 LYS CA C 56.650 . 1 847 80 80 LYS CB C 27.860 . 1 848 80 80 LYS CD C 27.500 . 1 849 80 80 LYS CE C 40.700 . 1 850 80 80 LYS CG C 23.500 . 1 851 80 80 LYS N N 114.509 . 1 852 81 81 LEU H H 7.497 . 1 853 81 81 LEU HA H 4.470 . 1 854 81 81 LEU HB2 H 1.061 . 2 855 81 81 LEU HB3 H 1.553 . 2 856 81 81 LEU HD1 H 0.872 . 2 857 81 81 LEU HD2 H 0.933 . 2 858 81 81 LEU HG H 1.587 . 1 859 81 81 LEU C C 172.250 . 1 860 81 81 LEU CA C 52.273 . 1 861 81 81 LEU CB C 40.399 . 1 862 81 81 LEU CD1 C 25.300 . 1 863 81 81 LEU CD2 C 22.400 . 1 864 81 81 LEU CG C 25.800 . 1 865 81 81 LEU N N 122.497 . 1 866 82 82 PRO HA H 4.501 . 1 867 82 82 PRO HB2 H 2.141 . 2 868 82 82 PRO HB3 H 2.540 . 2 869 82 82 PRO HD2 H 3.325 . 2 870 82 82 PRO HD3 H 3.980 . 2 871 82 82 PRO HG2 H 2.069 . 2 872 82 82 PRO HG3 H 2.141 . 2 873 82 82 PRO CA C 61.100 . 1 874 82 82 PRO CB C 31.100 . 1 875 82 82 PRO CD C 49.200 . 1 876 82 82 PRO CG C 26.400 . 1 877 83 83 ASN HA H 4.281 . 1 878 83 83 ASN HB2 H 2.840 . 2 879 83 83 ASN HB3 H 2.840 . 2 880 83 83 ASN HD21 H 7.680 . 2 881 83 83 ASN HD22 H 6.980 . 2 882 83 83 ASN CA C 55.500 . 1 883 83 83 ASN CB C 36.700 . 1 884 83 83 ASN ND2 N 115.000 . 1 885 84 84 THR H H 7.010 . 1 886 84 84 THR HA H 4.050 . 1 887 84 84 THR HB H 4.151 . 1 888 84 84 THR HG2 H 1.309 . 1 889 84 84 THR C C 175.970 . 1 890 84 84 THR CA C 63.474 . 1 891 84 84 THR CB C 66.620 . 1 892 84 84 THR CG2 C 20.700 . 1 893 85 85 VAL H H 6.902 . 1 894 85 85 VAL HA H 3.680 . 1 895 85 85 VAL HB H 2.153 . 1 896 85 85 VAL HG1 H 0.989 . 2 897 85 85 VAL HG2 H 1.100 . 2 898 85 85 VAL C C 176.590 . 1 899 85 85 VAL CA C 64.100 . 1 900 85 85 VAL CB C 30.350 . 1 901 85 85 VAL CG1 C 21.280 . 1 902 85 85 VAL CG2 C 21.280 . 1 903 85 85 VAL N N 124.800 . 1 904 86 86 LEU H H 8.099 . 1 905 86 86 LEU HA H 3.890 . 1 906 86 86 LEU HB2 H 1.150 . 2 907 86 86 LEU HB3 H 1.770 . 2 908 86 86 LEU HD1 H 0.804 . 2 909 86 86 LEU HD2 H 0.737 . 2 910 86 86 LEU HG H 1.541 . 1 911 86 86 LEU C C 178.120 . 1 912 86 86 LEU CA C 56.652 . 1 913 86 86 LEU CB C 39.142 . 1 914 86 86 LEU CD1 C 25.280 . 1 915 86 86 LEU CD2 C 21.850 . 1 916 86 86 LEU CG C 25.000 . 1 917 86 86 LEU N N 120.859 . 1 918 87 87 GLY H H 8.441 . 1 919 87 87 GLY HA2 H 3.932 . 2 920 87 87 GLY HA3 H 3.960 . 2 921 87 87 GLY C C 175.200 . 1 922 87 87 GLY CA C 45.989 . 1 923 87 87 GLY N N 108.518 . 1 924 88 88 LYS H H 7.350 . 1 925 88 88 LYS HA H 4.142 . 1 926 88 88 LYS HB2 H 2.082 . 2 927 88 88 LYS HB3 H 2.082 . 2 928 88 88 LYS HD2 H 2.158 . 2 929 88 88 LYS HD3 H 2.158 . 2 930 88 88 LYS HE2 H 3.010 . 2 931 88 88 LYS HE3 H 3.250 . 2 932 88 88 LYS HG2 H 1.435 . 2 933 88 88 LYS HG3 H 1.681 . 2 934 88 88 LYS C C 177.910 . 1 935 88 88 LYS CA C 57.910 . 1 936 88 88 LYS CB C 31.000 . 1 937 88 88 LYS CD C 28.100 . 1 938 88 88 LYS CE C 40.700 . 1 939 88 88 LYS CG C 24.100 . 1 940 88 88 LYS N N 125.235 . 1 941 89 89 ILE H H 8.124 . 1 942 89 89 ILE HA H 3.476 . 1 943 89 89 ILE HB H 1.893 . 1 944 89 89 ILE HD1 H 0.649 . 1 945 89 89 ILE HG12 H 0.748 . 1 946 89 89 ILE HG13 H 1.885 . 1 947 89 89 ILE HG2 H 0.904 . 2 948 89 89 ILE C C 175.190 . 1 949 89 89 ILE CA C 65.360 . 1 950 89 89 ILE CB C 36.610 . 1 951 89 89 ILE CD1 C 12.710 . 1 952 89 89 ILE CG1 C 29.850 . 2 953 89 89 ILE CG2 C 15.570 . 1 954 89 89 ILE N N 121.757 . 1 955 90 90 TRP H H 8.596 . 1 956 90 90 TRP HA H 3.800 . 1 957 90 90 TRP HB2 H 3.300 . 2 958 90 90 TRP HB3 H 3.416 . 2 959 90 90 TRP HD1 H 7.150 . 1 960 90 90 TRP HE1 H 10.379 . 1 961 90 90 TRP HE3 H 7.310 . 1 962 90 90 TRP HH2 H 6.770 . 1 963 90 90 TRP HZ2 H 7.163 . 1 964 90 90 TRP HZ3 H 6.880 . 1 965 90 90 TRP C C 174.200 . 1 966 90 90 TRP CA C 59.760 . 1 967 90 90 TRP CB C 27.250 . 1 968 90 90 TRP CD1 C 127.300 . 1 969 90 90 TRP CE3 C 118.600 . 1 970 90 90 TRP CH2 C 123.300 . 1 971 90 90 TRP CZ2 C 114.000 . 1 972 90 90 TRP CZ3 C 121.300 . 1 973 90 90 TRP N N 121.291 . 1 974 90 90 TRP NE1 N 131.993 . 1 975 91 91 LYS H H 7.489 . 1 976 91 91 LYS HA H 3.874 . 1 977 91 91 LYS HB2 H 1.969 . 2 978 91 91 LYS HB3 H 1.969 . 2 979 91 91 LYS HD2 H 1.748 . 2 980 91 91 LYS HD3 H 1.748 . 2 981 91 91 LYS HE2 H 3.057 . 2 982 91 91 LYS HE3 H 3.057 . 2 983 91 91 LYS HG2 H 1.544 . 2 984 91 91 LYS HG3 H 1.544 . 2 985 91 91 LYS C C 178.110 . 1 986 91 91 LYS CA C 57.847 . 1 987 91 91 LYS CB C 31.100 . 1 988 91 91 LYS CD C 28.100 . 1 989 91 91 LYS CE C 40.700 . 1 990 91 91 LYS CG C 24.200 . 1 991 91 91 LYS N N 116.209 . 1 992 92 92 LEU H H 7.579 . 1 993 92 92 LEU HA H 3.995 . 1 994 92 92 LEU HB2 H 1.067 . 2 995 92 92 LEU HB3 H 1.931 . 2 996 92 92 LEU HD1 H 0.844 . 2 997 92 92 LEU HD2 H 0.674 . 2 998 92 92 LEU HG H 1.783 . 1 999 92 92 LEU C C 175.760 . 1 1000 92 92 LEU CA C 55.940 . 1 1001 92 92 LEU CB C 42.270 . 1 1002 92 92 LEU CD1 C 25.280 . 1 1003 92 92 LEU CD2 C 21.280 . 1 1004 92 92 LEU CG C 25.890 . 1 1005 92 92 LEU N N 119.224 . 1 1006 93 93 ALA H H 8.107 . 1 1007 93 93 ALA HA H 4.110 . 1 1008 93 93 ALA HB H 1.150 . 1 1009 93 93 ALA C C 175.580 . 1 1010 93 93 ALA CA C 52.260 . 1 1011 93 93 ALA CB C 17.860 . 1 1012 93 93 ALA N N 119.645 . 1 1013 94 94 ASP H H 7.423 . 1 1014 94 94 ASP HA H 4.527 . 1 1015 94 94 ASP HB2 H 1.200 . 2 1016 94 94 ASP HB3 H 2.233 . 2 1017 94 94 ASP C C 177.330 . 1 1018 94 94 ASP CA C 50.370 . 1 1019 94 94 ASP CB C 35.384 . 1 1020 94 94 ASP N N 114.919 . 1 1021 95 95 VAL H H 8.319 . 1 1022 95 95 VAL HA H 3.473 . 1 1023 95 95 VAL HB H 1.792 . 1 1024 95 95 VAL HG1 H 0.915 . 2 1025 95 95 VAL HG2 H 1.045 . 2 1026 95 95 VAL C C 176.540 . 1 1027 95 95 VAL CA C 64.100 . 1 1028 95 95 VAL CB C 31.000 . 1 1029 95 95 VAL CG1 C 20.700 . 1 1030 95 95 VAL CG2 C 21.200 . 1 1031 95 95 VAL N N 129.221 . 1 1032 96 96 ASP H H 7.912 . 1 1033 96 96 ASP HA H 4.521 . 1 1034 96 96 ASP HB2 H 2.287 . 2 1035 96 96 ASP HB3 H 3.120 . 2 1036 96 96 ASP C C 174.590 . 1 1037 96 96 ASP CA C 51.600 . 1 1038 96 96 ASP CB C 38.500 . 1 1039 96 96 ASP N N 115.396 . 1 1040 97 97 LYS H H 7.530 . 1 1041 97 97 LYS HA H 3.840 . 1 1042 97 97 LYS HB2 H 1.932 . 2 1043 97 97 LYS HB3 H 2.012 . 2 1044 97 97 LYS HD2 H 1.650 . 2 1045 97 97 LYS HD3 H 1.756 . 2 1046 97 97 LYS HE2 H 3.060 . 2 1047 97 97 LYS HE3 H 3.060 . 2 1048 97 97 LYS HG2 H 1.364 . 2 1049 97 97 LYS HG3 H 1.364 . 2 1050 97 97 LYS C C 174.400 . 1 1051 97 97 LYS CA C 56.450 . 1 1052 97 97 LYS CB C 27.920 . 1 1053 97 97 LYS CD C 27.900 . 1 1054 97 97 LYS CE C 40.500 . 1 1055 97 97 LYS CG C 23.600 . 1 1056 97 97 LYS N N 115.319 . 1 1057 98 98 ASP H H 8.344 . 1 1058 98 98 ASP HA H 4.631 . 1 1059 98 98 ASP HB2 H 2.435 . 2 1060 98 98 ASP HB3 H 2.987 . 2 1061 98 98 ASP C C 176.540 . 1 1062 98 98 ASP CA C 52.248 . 1 1063 98 98 ASP CB C 39.100 . 1 1064 98 98 ASP N N 120.311 . 1 1065 99 99 GLY H H 10.639 . 1 1066 99 99 GLY HA2 H 3.804 . 2 1067 99 99 GLY HA3 H 4.322 . 2 1068 99 99 GLY C C 171.270 . 1 1069 99 99 GLY CA C 44.750 . 1 1070 99 99 GLY N N 115.430 . 1 1071 100 100 LEU H H 8.149 . 1 1072 100 100 LEU HA H 5.138 . 1 1073 100 100 LEU HB2 H 1.526 . 2 1074 100 100 LEU HB3 H 1.657 . 2 1075 100 100 LEU HD1 H 0.802 . 2 1076 100 100 LEU HD2 H 0.901 . 2 1077 100 100 LEU HG H 1.531 . 1 1078 100 100 LEU C C 174.980 . 1 1079 100 100 LEU CA C 52.200 . 1 1080 100 100 LEU CB C 44.120 . 1 1081 100 100 LEU CD1 C 24.700 . 1 1082 100 100 LEU CD2 C 23.500 . 1 1083 100 100 LEU CG C 26.400 . 1 1084 100 100 LEU N N 123.086 . 1 1085 101 101 LEU H H 8.694 . 1 1086 101 101 LEU HA H 5.823 . 1 1087 101 101 LEU HB2 H 1.586 . 2 1088 101 101 LEU HB3 H 1.856 . 2 1089 101 101 LEU HD1 H 0.831 . 2 1090 101 101 LEU HD2 H 0.067 . 2 1091 101 101 LEU HG H 1.581 . 1 1092 101 101 LEU C C 175.960 . 1 1093 101 101 LEU CA C 51.600 . 1 1094 101 101 LEU CB C 42.210 . 1 1095 101 101 LEU CD1 C 25.850 . 1 1096 101 101 LEU CD2 C 20.140 . 1 1097 101 101 LEU CG C 25.280 . 1 1098 101 101 LEU N N 120.743 . 1 1099 102 102 ASP H H 9.182 . 1 1100 102 102 ASP HA H 5.596 . 1 1101 102 102 ASP HB2 H 2.560 . 2 1102 102 102 ASP HB3 H 3.280 . 2 1103 102 102 ASP C C 173.810 . 1 1104 102 102 ASP CA C 50.980 . 1 1105 102 102 ASP CB C 39.700 . 1 1106 102 102 ASP N N 123.943 . 1 1107 103 103 ASP H H 8.531 . 1 1108 103 103 ASP HA H 2.821 . 1 1109 103 103 ASP HB2 H 1.693 . 2 1110 103 103 ASP HB3 H 2.051 . 2 1111 103 103 ASP C C 178.300 . 1 1112 103 103 ASP CA C 56.000 . 1 1113 103 103 ASP CB C 37.238 . 1 1114 103 103 ASP N N 117.112 . 1 1115 104 104 GLU H H 7.976 . 1 1116 104 104 GLU HA H 4.049 . 1 1117 104 104 GLU HB2 H 2.110 . 2 1118 104 104 GLU HB3 H 2.110 . 2 1119 104 104 GLU HG2 H 1.995 . 2 1120 104 104 GLU HG3 H 2.491 . 2 1121 104 104 GLU C C 177.520 . 1 1122 104 104 GLU CA C 59.130 . 1 1123 104 104 GLU CB C 29.134 . 1 1124 104 104 GLU CG C 36.200 . 1 1125 104 104 GLU N N 124.567 . 1 1126 105 105 GLU H H 8.721 . 1 1127 105 105 GLU HA H 3.995 . 1 1128 105 105 GLU HB2 H 2.220 . 2 1129 105 105 GLU HB3 H 2.472 . 2 1130 105 105 GLU HG2 H 2.310 . 2 1131 105 105 GLU HG3 H 2.910 . 2 1132 105 105 GLU C C 177.910 . 1 1133 105 105 GLU CA C 58.500 . 1 1134 105 105 GLU CB C 30.376 . 1 1135 105 105 GLU CG C 36.100 . 1 1136 105 105 GLU N N 123.027 . 1 1137 106 106 PHE H H 9.397 . 1 1138 106 106 PHE HA H 4.210 . 1 1139 106 106 PHE HB2 H 3.017 . 2 1140 106 106 PHE HB3 H 3.188 . 2 1141 106 106 PHE HD1 H 7.430 . 3 1142 106 106 PHE HD2 H 7.500 . 3 1143 106 106 PHE HE1 H 5.824 . 3 1144 106 106 PHE HE2 H 5.920 . 3 1145 106 106 PHE HZ H 7.300 . 1 1146 106 106 PHE C C 176.940 . 1 1147 106 106 PHE CA C 59.900 . 1 1148 106 106 PHE CB C 38.513 . 1 1149 106 106 PHE CD1 C 131.300 . 3 1150 106 106 PHE CD2 C 131.300 . 3 1151 106 106 PHE CE1 C 130.600 . 3 1152 106 106 PHE CE2 C 130.600 . 3 1153 106 106 PHE CZ C 131.300 . 1 1154 106 106 PHE N N 120.455 . 1 1155 107 107 ALA H H 8.082 . 1 1156 107 107 ALA HA H 3.768 . 1 1157 107 107 ALA HB H 1.822 . 1 1158 107 107 ALA C C 176.730 . 1 1159 107 107 ALA CA C 54.110 . 1 1160 107 107 ALA CB C 16.618 . 1 1161 107 107 ALA N N 126.488 . 1 1162 108 108 LEU H H 8.401 . 1 1163 108 108 LEU HA H 4.048 . 1 1164 108 108 LEU HB2 H 1.772 . 2 1165 108 108 LEU HB3 H 2.582 . 2 1166 108 108 LEU HD1 H 1.197 . 2 1167 108 108 LEU HD2 H 1.162 . 2 1168 108 108 LEU HG H 1.540 . 1 1169 108 108 LEU C C 175.970 . 1 1170 108 108 LEU CA C 56.620 . 1 1171 108 108 LEU CB C 41.090 . 1 1172 108 108 LEU CD1 C 26.400 . 1 1173 108 108 LEU CD2 C 21.850 . 1 1174 108 108 LEU CG C 26.200 . 1 1175 108 108 LEU N N 120.863 . 1 1176 109 109 ALA H H 8.629 . 1 1177 109 109 ALA HA H 3.632 . 1 1178 109 109 ALA HB H 1.172 . 1 1179 109 109 ALA C C 177.130 . 1 1180 109 109 ALA CA C 54.120 . 1 1181 109 109 ALA CB C 15.367 . 1 1182 109 109 ALA N N 122.580 . 1 1183 110 110 ASN H H 7.212 . 1 1184 110 110 ASN HA H 3.765 . 1 1185 110 110 ASN HB2 H 1.251 . 2 1186 110 110 ASN HB3 H 1.377 . 2 1187 110 110 ASN HD21 H 7.570 . 2 1188 110 110 ASN HD22 H 6.900 . 2 1189 110 110 ASN C C 175.760 . 1 1190 110 110 ASN CA C 55.417 . 1 1191 110 110 ASN CB C 36.610 . 1 1192 110 110 ASN N N 115.235 . 1 1193 110 110 ASN ND2 N 114.600 . 1 1194 111 111 HIS H H 8.327 . 1 1195 111 111 HIS HA H 4.062 . 1 1196 111 111 HIS HB2 H 3.012 . 2 1197 111 111 HIS HB3 H 3.272 . 2 1198 111 111 HIS HD2 H 6.280 . 1 1199 111 111 HIS HE1 H 7.540 . 1 1200 111 111 HIS C C 174.980 . 1 1201 111 111 HIS CA C 59.150 . 1 1202 111 111 HIS CB C 30.360 . 1 1203 111 111 HIS CD2 C 117.300 . 1 1204 111 111 HIS CE1 C 139.300 . 1 1205 111 111 HIS N N 124.375 . 1 1206 112 112 LEU H H 8.278 . 1 1207 112 112 LEU HA H 3.815 . 1 1208 112 112 LEU HB2 H 1.110 . 2 1209 112 112 LEU HB3 H 2.050 . 2 1210 112 112 LEU HD1 H 0.812 . 2 1211 112 112 LEU HD2 H 0.739 . 2 1212 112 112 LEU HG H 1.952 . 1 1213 112 112 LEU C C 176.940 . 1 1214 112 112 LEU CA C 56.015 . 1 1215 112 112 LEU CB C 40.980 . 1 1216 112 112 LEU CD1 C 26.400 . 1 1217 112 112 LEU CD2 C 20.120 . 1 1218 112 112 LEU CG C 25.800 . 1 1219 112 112 LEU N N 118.709 . 1 1220 113 113 ILE H H 7.774 . 1 1221 113 113 ILE HA H 3.289 . 1 1222 113 113 ILE HB H 1.912 . 1 1223 113 113 ILE HD1 H 0.760 . 1 1224 113 113 ILE HG12 H 0.731 . 1 1225 113 113 ILE HG13 H 1.945 . 1 1226 113 113 ILE HG2 H 0.872 . 1 1227 113 113 ILE C C 175.180 . 1 1228 113 113 ILE CA C 64.720 . 1 1229 113 113 ILE CB C 36.610 . 1 1230 113 113 ILE CD1 C 12.100 . 1 1231 113 113 ILE CG1 C 29.200 . 1 1232 113 113 ILE CG2 C 15.570 . 1 1233 113 113 ILE N N 120.897 . 1 1234 114 114 LYS H H 7.530 . 1 1235 114 114 LYS HA H 3.790 . 1 1236 114 114 LYS HB2 H 1.940 . 2 1237 114 114 LYS HB3 H 1.980 . 2 1238 114 114 LYS HD2 H 1.960 . 2 1239 114 114 LYS HD3 H 1.999 . 2 1240 114 114 LYS HE2 H 2.950 . 2 1241 114 114 LYS HE3 H 2.950 . 2 1242 114 114 LYS HG2 H 1.192 . 2 1243 114 114 LYS HG3 H 1.450 . 2 1244 114 114 LYS C C 177.710 . 1 1245 114 114 LYS CA C 59.100 . 1 1246 114 114 LYS CB C 30.470 . 1 1247 114 114 LYS CD C 26.800 . 1 1248 114 114 LYS CE C 41.200 . 1 1249 114 114 LYS CG C 23.500 . 1 1250 114 114 LYS N N 121.815 . 1 1251 115 115 VAL H H 8.099 . 1 1252 115 115 VAL HA H 3.720 . 1 1253 115 115 VAL HB H 2.036 . 1 1254 115 115 VAL HG1 H 0.683 . 2 1255 115 115 VAL HG2 H 0.650 . 2 1256 115 115 VAL C C 177.120 . 1 1257 115 115 VAL CA C 64.500 . 1 1258 115 115 VAL CB C 30.351 . 1 1259 115 115 VAL CG1 C 19.500 . 1 1260 115 115 VAL CG2 C 20.100 . 1 1261 115 115 VAL N N 118.639 . 1 1262 116 116 LYS H H 7.847 . 1 1263 116 116 LYS HA H 4.534 . 1 1264 116 116 LYS HB2 H 1.740 . 2 1265 116 116 LYS HB3 H 2.076 . 2 1266 116 116 LYS HD2 H 1.710 . 2 1267 116 116 LYS HD3 H 1.710 . 2 1268 116 116 LYS HE2 H 2.960 . 2 1269 116 116 LYS HE3 H 2.960 . 2 1270 116 116 LYS HG2 H 1.281 . 2 1271 116 116 LYS HG3 H 1.480 . 2 1272 116 116 LYS C C 180.450 . 1 1273 116 116 LYS CA C 56.000 . 1 1274 116 116 LYS CB C 30.340 . 1 1275 116 116 LYS CD C 26.600 . 1 1276 116 116 LYS CE C 41.200 . 1 1277 116 116 LYS CG C 23.500 . 1 1278 116 116 LYS N N 122.696 . 1 1279 117 117 LEU H H 8.955 . 1 1280 117 117 LEU HA H 4.080 . 1 1281 117 117 LEU HB2 H 1.432 . 2 1282 117 117 LEU HB3 H 2.050 . 2 1283 117 117 LEU HD1 H 0.855 . 2 1284 117 117 LEU HD2 H 0.920 . 2 1285 117 117 LEU HG H 1.531 . 1 1286 117 117 LEU C C 178.300 . 1 1287 117 117 LEU CA C 56.620 . 1 1288 117 117 LEU CB C 40.361 . 1 1289 117 117 LEU CD1 C 25.000 . 1 1290 117 117 LEU CD2 C 20.700 . 1 1291 117 117 LEU CG C 25.800 . 1 1292 117 117 LEU N N 124.964 . 1 1293 118 118 GLU H H 7.804 . 1 1294 118 118 GLU HA H 4.156 . 1 1295 118 118 GLU HB2 H 2.150 . 2 1296 118 118 GLU HB3 H 2.200 . 2 1297 118 118 GLU HG2 H 2.232 . 2 1298 118 118 GLU HG3 H 2.524 . 2 1299 118 118 GLU C C 175.170 . 1 1300 118 118 GLU CA C 55.380 . 1 1301 118 118 GLU CB C 28.510 . 1 1302 118 118 GLU CG C 35.000 . 1 1303 118 118 GLU N N 119.413 . 1 1304 119 119 GLY H H 7.854 . 1 1305 119 119 GLY HA2 H 3.608 . 2 1306 119 119 GLY HA3 H 4.129 . 2 1307 119 119 GLY C C 173.210 . 1 1308 119 119 GLY CA C 43.500 . 1 1309 119 119 GLY N N 107.507 . 1 1310 120 120 HIS H H 7.689 . 1 1311 120 120 HIS HA H 4.605 . 1 1312 120 120 HIS HB2 H 2.864 . 2 1313 120 120 HIS HB3 H 3.051 . 2 1314 120 120 HIS HD2 H 7.150 . 1 1315 120 120 HIS HE1 H 8.750 . 1 1316 120 120 HIS C C 173.220 . 1 1317 120 120 HIS CA C 53.500 . 1 1318 120 120 HIS CB C 29.700 . 1 1319 120 120 HIS CD2 C 119.300 . 1 1320 120 120 HIS N N 121.641 . 1 1321 121 121 GLU H H 8.491 . 1 1322 121 121 GLU HA H 4.270 . 1 1323 121 121 GLU HB2 H 1.846 . 2 1324 121 121 GLU HB3 H 1.991 . 2 1325 121 121 GLU HG2 H 2.261 . 2 1326 121 121 GLU HG3 H 2.391 . 2 1327 121 121 GLU C C 175.360 . 1 1328 121 121 GLU CA C 54.129 . 1 1329 121 121 GLU CB C 29.120 . 1 1330 121 121 GLU CG C 34.500 . 1 1331 121 121 GLU N N 121.447 . 1 1332 122 122 LEU H H 8.660 . 1 1333 122 122 LEU HA H 4.413 . 1 1334 122 122 LEU HB2 H 1.159 . 2 1335 122 122 LEU HB3 H 1.668 . 2 1336 122 122 LEU HD1 H 0.789 . 2 1337 122 122 LEU HD2 H 0.857 . 2 1338 122 122 LEU HG H 2.026 . 1 1339 122 122 LEU C C 173.430 . 1 1340 122 122 LEU CA C 50.977 . 1 1341 122 122 LEU CB C 39.786 . 1 1342 122 122 LEU CD1 C 22.000 . 1 1343 122 122 LEU CD2 C 25.200 . 1 1344 122 122 LEU CG C 29.800 . 1 1345 122 122 LEU N N 124.924 . 1 1346 123 123 PRO HA H 4.550 . 1 1347 123 123 PRO HB2 H 2.264 . 2 1348 123 123 PRO HB3 H 2.320 . 2 1349 123 123 PRO HD2 H 3.332 . 2 1350 123 123 PRO HD3 H 3.731 . 2 1351 123 123 PRO HG2 H 1.820 . 2 1352 123 123 PRO HG3 H 1.900 . 2 1353 123 123 PRO C C 173.830 . 1 1354 123 123 PRO CA C 60.400 . 1 1355 123 123 PRO CB C 30.390 . 1 1356 123 123 PRO CD C 47.800 . 1 1357 123 123 PRO CG C 25.800 . 1 1358 124 124 ALA H H 8.441 . 1 1359 124 124 ALA HA H 4.060 . 1 1360 124 124 ALA HB H 1.380 . 1 1361 124 124 ALA C C 175.760 . 1 1362 124 124 ALA CA C 52.860 . 1 1363 124 124 ALA CB C 17.860 . 1 1364 124 124 ALA N N 123.201 . 1 1365 125 125 ASP H H 7.464 . 1 1366 125 125 ASP HA H 4.625 . 1 1367 125 125 ASP HB2 H 2.320 . 2 1368 125 125 ASP HB3 H 2.490 . 2 1369 125 125 ASP C C 173.610 . 1 1370 125 125 ASP CA C 50.340 . 1 1371 125 125 ASP CB C 42.840 . 1 1372 125 125 ASP N N 114.966 . 1 1373 126 126 LEU H H 8.865 . 1 1374 126 126 LEU HA H 4.160 . 1 1375 126 126 LEU HB2 H 1.547 . 2 1376 126 126 LEU HB3 H 1.547 . 2 1377 126 126 LEU HD1 H 0.870 . 2 1378 126 126 LEU HD2 H 0.962 . 2 1379 126 126 LEU HG H 1.714 . 1 1380 126 126 LEU C C 173.220 . 1 1381 126 126 LEU CA C 51.630 . 1 1382 126 126 LEU CB C 41.032 . 1 1383 126 126 LEU CD1 C 24.100 . 1 1384 126 126 LEU CD2 C 24.700 . 1 1385 126 126 LEU CG C 25.000 . 1 1386 126 126 LEU N N 124.880 . 1 1387 127 127 PRO HA H 4.852 . 1 1388 127 127 PRO HB2 H 1.910 . 2 1389 127 127 PRO HB3 H 2.478 . 2 1390 127 127 PRO HD2 H 3.485 . 2 1391 127 127 PRO HD3 H 4.085 . 2 1392 127 127 PRO HG2 H 1.538 . 2 1393 127 127 PRO HG3 H 2.116 . 2 1394 127 127 PRO CA C 59.800 . 1 1395 127 127 PRO CB C 29.800 . 1 1396 127 127 PRO CD C 49.200 . 1 1397 127 127 PRO CG C 25.850 . 1 1398 128 128 PRO HA H 4.201 . 1 1399 128 128 PRO HB2 H 2.032 . 2 1400 128 128 PRO HB3 H 2.424 . 2 1401 128 128 PRO HD2 H 3.390 . 2 1402 128 128 PRO HD3 H 3.878 . 2 1403 128 128 PRO HG2 H 2.100 . 2 1404 128 128 PRO HG3 H 2.200 . 2 1405 128 128 PRO C C 177.520 . 1 1406 128 128 PRO CA C 64.740 . 1 1407 128 128 PRO CB C 30.990 . 1 1408 128 128 PRO CD C 49.200 . 1 1409 128 128 PRO CG C 25.800 . 1 1410 129 129 HIS H H 7.945 . 1 1411 129 129 HIS HA H 4.628 . 1 1412 129 129 HIS HB2 H 3.030 . 2 1413 129 129 HIS HB3 H 3.413 . 2 1414 129 129 HIS HD2 H 6.900 . 1 1415 129 129 HIS HE1 H 7.780 . 1 1416 129 129 HIS C C 174.600 . 1 1417 129 129 HIS CA C 56.600 . 1 1418 129 129 HIS CB C 27.900 . 1 1419 129 129 HIS CD2 C 118.600 . 1 1420 129 129 HIS CE1 C 139.300 . 1 1421 129 129 HIS N N 112.388 . 1 1422 130 130 LEU H H 7.700 . 1 1423 130 130 LEU HA H 4.625 . 1 1424 130 130 LEU HB2 H 1.450 . 2 1425 130 130 LEU HB3 H 1.680 . 2 1426 130 130 LEU HD1 H 0.773 . 2 1427 130 130 LEU HD2 H 0.594 . 2 1428 130 130 LEU HG H 0.953 . 1 1429 130 130 LEU C C 175.700 . 1 1430 130 130 LEU CA C 52.970 . 1 1431 130 130 LEU CB C 42.210 . 1 1432 130 130 LEU CD1 C 23.500 . 1 1433 130 130 LEU CD2 C 21.800 . 1 1434 130 130 LEU CG C 25.100 . 1 1435 130 130 LEU N N 120.630 . 1 1436 131 131 VAL H H 7.200 . 1 1437 131 131 VAL HA H 3.720 . 1 1438 131 131 VAL HB H 1.964 . 1 1439 131 131 VAL HG1 H 0.800 . 2 1440 131 131 VAL HG2 H 0.976 . 2 1441 131 131 VAL CA C 60.150 . 1 1442 131 131 VAL CB C 30.800 . 1 1443 131 131 VAL CG1 C 19.500 . 1 1444 131 131 VAL CG2 C 21.200 . 1 1445 131 131 VAL N N 125.320 . 1 1446 132 132 PRO HA H 2.650 . 1 1447 132 132 PRO HB2 H 1.390 . 2 1448 132 132 PRO HB3 H 1.780 . 2 1449 132 132 PRO HD2 H 3.230 . 2 1450 132 132 PRO HD3 H 4.280 . 2 1451 132 132 PRO HG2 H 1.740 . 2 1452 132 132 PRO HG3 H 1.820 . 2 1453 132 132 PRO CA C 59.200 . 1 1454 132 132 PRO CB C 30.400 . 1 1455 132 132 PRO CD C 49.500 . 1 1456 132 132 PRO CG C 26.200 . 1 1457 133 133 PRO HA H 3.602 . 1 1458 133 133 PRO HB2 H 1.853 . 2 1459 133 133 PRO HB3 H 2.172 . 2 1460 133 133 PRO HD2 H 1.980 . 2 1461 133 133 PRO HD3 H 2.170 . 2 1462 133 133 PRO HG2 H 1.542 . 2 1463 133 133 PRO HG3 H 2.117 . 2 1464 133 133 PRO C C 177.320 . 1 1465 133 133 PRO CA C 64.760 . 1 1466 133 133 PRO CB C 30.990 . 1 1467 133 133 PRO CD C 47.500 . 1 1468 133 133 PRO CG C 25.850 . 1 1469 134 134 SER H H 9.150 . 1 1470 134 134 SER HA H 4.125 . 1 1471 134 134 SER HB2 H 3.860 . 2 1472 134 134 SER HB3 H 3.860 . 2 1473 134 134 SER C C 174.200 . 1 1474 134 134 SER CA C 59.740 . 1 1475 134 134 SER CB C 61.000 . 1 1476 134 134 SER N N 114.572 . 1 1477 135 135 LYS H H 7.847 . 1 1478 135 135 LYS HA H 4.460 . 1 1479 135 135 LYS HB2 H 1.500 . 2 1480 135 135 LYS HB3 H 1.987 . 2 1481 135 135 LYS HD2 H 1.480 . 2 1482 135 135 LYS HD3 H 1.480 . 2 1483 135 135 LYS HE2 H 2.971 . 2 1484 135 135 LYS HE3 H 2.971 . 2 1485 135 135 LYS HG2 H 1.094 . 2 1486 135 135 LYS HG3 H 1.411 . 2 1487 135 135 LYS HZ H 8.000 . 1 1488 135 135 LYS C C 174.790 . 1 1489 135 135 LYS CA C 52.340 . 1 1490 135 135 LYS CB C 30.980 . 1 1491 135 135 LYS CD C 26.700 . 1 1492 135 135 LYS CE C 40.700 . 1 1493 135 135 LYS CG C 23.500 . 1 1494 135 135 LYS N N 120.702 . 1 1495 136 136 ARG H H 7.066 . 1 1496 136 136 ARG HA H 4.080 . 1 1497 136 136 ARG HB2 H 1.600 . 2 1498 136 136 ARG HB3 H 1.733 . 2 1499 136 136 ARG HD2 H 2.960 . 2 1500 136 136 ARG HD3 H 3.150 . 2 1501 136 136 ARG HG2 H 1.441 . 2 1502 136 136 ARG HG3 H 1.441 . 2 1503 136 136 ARG C C 174.580 . 1 1504 136 136 ARG CA C 55.360 . 1 1505 136 136 ARG CB C 29.100 . 1 1506 136 136 ARG CD C 41.800 . 1 1507 136 136 ARG CG C 25.500 . 1 1508 136 136 ARG N N 121.523 . 1 1509 137 137 ARG H H 8.221 . 1 1510 137 137 ARG HA H 4.274 . 1 1511 137 137 ARG HB2 H 1.686 . 2 1512 137 137 ARG HB3 H 1.756 . 2 1513 137 137 ARG HD2 H 2.960 . 2 1514 137 137 ARG HD3 H 3.150 . 2 1515 137 137 ARG HG2 H 1.495 . 2 1516 137 137 ARG HG3 H 1.557 . 2 1517 137 137 ARG C C 174.400 . 1 1518 137 137 ARG CA C 54.100 . 1 1519 137 137 ARG CB C 29.700 . 1 1520 137 137 ARG CD C 41.800 . 1 1521 137 137 ARG CG C 25.500 . 1 1522 137 137 ARG N N 122.696 . 1 1523 138 138 HIS H H 8.460 . 1 1524 138 138 HIS HA H 4.662 . 1 1525 138 138 HIS HB2 H 3.150 . 2 1526 138 138 HIS HB3 H 3.150 . 2 1527 138 138 HIS HD2 H 7.150 . 1 1528 138 138 HIS HE1 H 8.550 . 1 1529 138 138 HIS C C 175.660 . 1 1530 138 138 HIS CA C 54.110 . 1 1531 138 138 HIS CB C 28.500 . 1 1532 138 138 HIS CD2 C 120.000 . 1 1533 138 138 HIS N N 123.110 . 1 1534 139 139 GLU H H 8.173 . 1 1535 139 139 GLU HA H 4.088 . 1 1536 139 139 GLU HB2 H 1.863 . 2 1537 139 139 GLU HB3 H 2.033 . 2 1538 139 139 GLU HG2 H 2.147 . 2 1539 139 139 GLU HG3 H 2.147 . 2 1540 139 139 GLU C C 179.670 . 1 1541 139 139 GLU CA C 56.630 . 1 1542 139 139 GLU CB C 29.712 . 1 1543 139 139 GLU CG C 35.200 . 1 1544 139 139 GLU N N 129.137 . 1 stop_ save_