data_11146 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the eIF-5_eIF-2B domain from human Eukaryotic translation initiation factor 5 ; _BMRB_accession_number 11146 _BMRB_flat_file_name bmr11146.str _Entry_type original _Submission_date 2010-03-31 _Accession_date 2010-03-31 _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 Tomizawa T. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Watanabe S. . . 5 Harada T. . . 6 Kigawa T. . . 7 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 925 "13C chemical shifts" 677 "15N chemical shifts" 159 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-04-01 original author . stop_ _Original_release_date 2011-04-01 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the eIF-5_eIF-2B domain from human Eukaryotic translation initiation factor 5 ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tomizawa T. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Watanabe S. . . 5 Harada T. . . 6 Kigawa T. . . 7 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Eukaryotic translation initiation factor 5' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'eIF-5_eIF-2B domain' $entity_1 'ZINC ION' $ZN 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'eIF-5_eIF-2B domain' _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 157 _Mol_residue_sequence ; GSSGSSGMSVNVNRSVSDQF YRYKMPRLIAKVEGKGNGIK TVIVNMVDVAKALNRPPTYP TKYFGCELGAQTQFDVKNDR YIVNGSHEANKLQDMLDGFI KKFVLCPECENPETDLHVNP KKQTIGNSCKACGYRGMLDT HHKLCTFILKNPPENSD ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 MET 9 SER 10 VAL 11 ASN 12 VAL 13 ASN 14 ARG 15 SER 16 VAL 17 SER 18 ASP 19 GLN 20 PHE 21 TYR 22 ARG 23 TYR 24 LYS 25 MET 26 PRO 27 ARG 28 LEU 29 ILE 30 ALA 31 LYS 32 VAL 33 GLU 34 GLY 35 LYS 36 GLY 37 ASN 38 GLY 39 ILE 40 LYS 41 THR 42 VAL 43 ILE 44 VAL 45 ASN 46 MET 47 VAL 48 ASP 49 VAL 50 ALA 51 LYS 52 ALA 53 LEU 54 ASN 55 ARG 56 PRO 57 PRO 58 THR 59 TYR 60 PRO 61 THR 62 LYS 63 TYR 64 PHE 65 GLY 66 CYS 67 GLU 68 LEU 69 GLY 70 ALA 71 GLN 72 THR 73 GLN 74 PHE 75 ASP 76 VAL 77 LYS 78 ASN 79 ASP 80 ARG 81 TYR 82 ILE 83 VAL 84 ASN 85 GLY 86 SER 87 HIS 88 GLU 89 ALA 90 ASN 91 LYS 92 LEU 93 GLN 94 ASP 95 MET 96 LEU 97 ASP 98 GLY 99 PHE 100 ILE 101 LYS 102 LYS 103 PHE 104 VAL 105 LEU 106 CYS 107 PRO 108 GLU 109 CYS 110 GLU 111 ASN 112 PRO 113 GLU 114 THR 115 ASP 116 LEU 117 HIS 118 VAL 119 ASN 120 PRO 121 LYS 122 LYS 123 GLN 124 THR 125 ILE 126 GLY 127 ASN 128 SER 129 CYS 130 LYS 131 ALA 132 CYS 133 GLY 134 TYR 135 ARG 136 GLY 137 MET 138 LEU 139 ASP 140 THR 141 HIS 142 HIS 143 LYS 144 LEU 145 CYS 146 THR 147 PHE 148 ILE 149 LEU 150 LYS 151 ASN 152 PRO 153 PRO 154 GLU 155 ASN 156 SER 157 ASP 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 PDB 2E9H "Solution Structure Of The Eif-5_eif-2b Domain From Human Eukaryotic Translation Initiation Factor 5" 100.00 157 100.00 100.00 1.83e-112 PDB 2G2K "Nmr Structure Of An N-Terminal Fragment Of The Eukaryotic Initiation Factor 5 (Eif5)" 95.54 170 98.67 99.33 4.40e-106 DBJ BAB15593 "unnamed protein product [Homo sapiens]" 95.54 431 100.00 100.00 1.14e-106 DBJ BAC36325 "unnamed protein product [Mus musculus]" 95.54 375 100.00 100.00 3.90e-107 DBJ BAE34918 "unnamed protein product [Mus musculus]" 95.54 429 100.00 100.00 6.96e-107 DBJ BAE36460 "unnamed protein product [Mus musculus]" 95.54 158 100.00 100.00 2.65e-107 DBJ BAE37319 "unnamed protein product [Mus musculus]" 95.54 429 100.00 100.00 6.96e-107 EMBL CAB45711 "hypothetical protein [Homo sapiens]" 95.54 431 99.33 99.33 1.87e-105 EMBL CAD97610 "hypothetical protein [Homo sapiens]" 95.54 431 100.00 100.00 1.14e-106 EMBL CAG32503 "hypothetical protein RCJMB04_27j21 [Gallus gallus]" 95.54 430 97.33 99.33 2.31e-103 EMBL CAG32993 "EIF5 [Homo sapiens]" 95.54 431 99.33 99.33 1.87e-105 EMBL CAH93306 "hypothetical protein [Pongo abelii]" 95.54 431 100.00 100.00 9.91e-107 GB AAA41112 "eukaryotic initiation factor 5 [Rattus norvegicus]" 95.54 429 100.00 100.00 8.75e-107 GB AAC50572 "translation initiation factor 5 [Homo sapiens]" 95.54 431 100.00 100.00 8.99e-107 GB AAH07728 "Eukaryotic translation initiation factor 5 [Homo sapiens]" 95.54 431 100.00 100.00 1.14e-106 GB AAH15630 "EIF5 protein, partial [Homo sapiens]" 95.54 166 100.00 100.00 8.04e-108 GB AAH19769 "Eif5 protein, partial [Mus musculus]" 95.54 157 100.00 100.00 1.88e-107 REF NP_001006488 "eukaryotic translation initiation factor 5 [Gallus gallus]" 95.54 430 97.33 99.33 2.31e-103 REF NP_001008209 "eukaryotic translation initiation factor 5 [Xenopus (Silurana) tropicalis]" 95.54 431 98.67 100.00 2.04e-105 REF NP_001126945 "eukaryotic translation initiation factor 5 [Pongo abelii]" 95.54 431 100.00 100.00 9.91e-107 REF NP_001180152 "eukaryotic translation initiation factor 5 [Bos taurus]" 95.54 429 100.00 100.00 5.31e-107 REF NP_001960 "eukaryotic translation initiation factor 5 [Homo sapiens]" 95.54 431 100.00 100.00 1.14e-106 SP P55010 "RecName: Full=Eukaryotic translation initiation factor 5; Short=eIF-5" 95.54 431 100.00 100.00 1.14e-106 SP P59325 "RecName: Full=Eukaryotic translation initiation factor 5; Short=eIF-5" 95.54 429 100.00 100.00 6.96e-107 SP Q07205 "RecName: Full=Eukaryotic translation initiation factor 5; Short=eIF-5" 95.54 429 100.00 100.00 8.75e-107 SP Q5R4L0 "RecName: Full=Eukaryotic translation initiation factor 5; Short=eIF-5" 95.54 431 100.00 100.00 9.91e-107 TPG DAA17435 "TPA: eukaryotic translation initiation factor 5 [Bos taurus]" 95.54 429 100.00 100.00 5.31e-107 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 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 $entity_1 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 $entity_1 'cell free synthesis' . Escherichia coli . P060411-05 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.32mM eIF-5_eIF-2B domain {U-15N,13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.32 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20060524 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRview _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_kujira _Saveframe_category software _Name Kujira _Version 0.9747 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRview $kujira $CYANA stop_ loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'eIF-5_eIF-2B domain' _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 7 7 GLY HA2 H 3.922 0.030 2 2 7 7 GLY HA3 H 3.875 0.030 2 3 7 7 GLY C C 172.057 0.300 1 4 7 7 GLY CA C 43.179 0.300 1 5 8 8 MET H H 8.109 0.030 1 6 8 8 MET HA H 4.426 0.030 1 7 8 8 MET HB2 H 2.060 0.030 2 8 8 8 MET HB3 H 1.919 0.030 2 9 8 8 MET HE H 2.002 0.030 1 10 8 8 MET HG2 H 2.415 0.030 2 11 8 8 MET HG3 H 2.543 0.030 2 12 8 8 MET C C 173.676 0.300 1 13 8 8 MET CA C 53.360 0.300 1 14 8 8 MET CB C 30.542 0.300 1 15 8 8 MET CE C 14.659 0.300 1 16 8 8 MET CG C 29.886 0.300 1 17 8 8 MET N N 118.686 0.300 1 18 9 9 SER H H 7.996 0.030 1 19 9 9 SER HA H 4.841 0.030 1 20 9 9 SER HB2 H 3.581 0.030 1 21 9 9 SER HB3 H 3.581 0.030 1 22 9 9 SER C C 171.058 0.300 1 23 9 9 SER CA C 55.435 0.300 1 24 9 9 SER CB C 62.767 0.300 1 25 9 9 SER N N 115.966 0.300 1 26 10 10 VAL H H 9.043 0.030 1 27 10 10 VAL HA H 4.462 0.030 1 28 10 10 VAL HB H 2.002 0.030 1 29 10 10 VAL HG1 H 0.720 0.030 1 30 10 10 VAL HG2 H 0.633 0.030 1 31 10 10 VAL C C 171.821 0.300 1 32 10 10 VAL CA C 56.567 0.300 1 33 10 10 VAL CB C 33.499 0.300 1 34 10 10 VAL CG1 C 19.552 0.300 2 35 10 10 VAL CG2 C 17.522 0.300 2 36 10 10 VAL N N 117.537 0.300 1 37 11 11 ASN H H 8.497 0.030 1 38 11 11 ASN HA H 4.878 0.030 1 39 11 11 ASN HB2 H 2.153 0.030 2 40 11 11 ASN HB3 H 2.300 0.030 2 41 11 11 ASN HD21 H 6.825 0.030 2 42 11 11 ASN HD22 H 6.637 0.030 2 43 11 11 ASN C C 173.572 0.300 1 44 11 11 ASN CA C 50.978 0.300 1 45 11 11 ASN CB C 36.508 0.300 1 46 11 11 ASN N N 122.566 0.300 1 47 11 11 ASN ND2 N 109.117 0.300 1 48 12 12 VAL H H 8.651 0.030 1 49 12 12 VAL HA H 3.580 0.030 1 50 12 12 VAL HB H 1.765 0.030 1 51 12 12 VAL HG1 H 0.730 0.030 1 52 12 12 VAL HG2 H 0.813 0.030 1 53 12 12 VAL C C 172.712 0.300 1 54 12 12 VAL CA C 63.766 0.300 1 55 12 12 VAL CB C 30.275 0.300 1 56 12 12 VAL CG1 C 18.969 0.300 2 57 12 12 VAL CG2 C 21.401 0.300 2 58 12 12 VAL N N 117.978 0.300 1 59 13 13 ASN H H 5.876 0.030 1 60 13 13 ASN HA H 4.574 0.030 1 61 13 13 ASN HB2 H 2.811 0.030 2 62 13 13 ASN HB3 H 2.367 0.030 2 63 13 13 ASN HD21 H 7.154 0.030 2 64 13 13 ASN HD22 H 7.575 0.030 2 65 13 13 ASN C C 172.849 0.300 1 66 13 13 ASN CA C 47.314 0.300 1 67 13 13 ASN CB C 35.685 0.300 1 68 13 13 ASN N N 108.424 0.300 1 69 13 13 ASN ND2 N 110.910 0.300 1 70 14 14 ARG H H 8.691 0.030 1 71 14 14 ARG HA H 3.879 0.030 1 72 14 14 ARG HB2 H 1.763 0.030 2 73 14 14 ARG HB3 H 1.834 0.030 2 74 14 14 ARG HD2 H 3.074 0.030 2 75 14 14 ARG HD3 H 3.185 0.030 2 76 14 14 ARG HE H 7.961 0.030 1 77 14 14 ARG HG2 H 1.796 0.030 1 78 14 14 ARG HG3 H 1.796 0.030 1 79 14 14 ARG C C 174.659 0.300 1 80 14 14 ARG CA C 57.192 0.300 1 81 14 14 ARG CB C 27.787 0.300 1 82 14 14 ARG CD C 42.369 0.300 1 83 14 14 ARG CG C 25.367 0.300 1 84 14 14 ARG N N 121.286 0.300 1 85 14 14 ARG NE N 83.221 0.300 1 86 15 15 SER H H 7.650 0.030 1 87 15 15 SER HA H 4.125 0.030 1 88 15 15 SER HB2 H 3.753 0.030 1 89 15 15 SER HB3 H 3.753 0.030 1 90 15 15 SER C C 171.753 0.300 1 91 15 15 SER CA C 57.346 0.300 1 92 15 15 SER CB C 60.796 0.300 1 93 15 15 SER N N 112.649 0.300 1 94 16 16 VAL H H 7.212 0.030 1 95 16 16 VAL HA H 3.784 0.030 1 96 16 16 VAL HB H 1.541 0.030 1 97 16 16 VAL HG1 H 0.571 0.030 1 98 16 16 VAL HG2 H 0.740 0.030 1 99 16 16 VAL C C 173.759 0.300 1 100 16 16 VAL CA C 59.839 0.300 1 101 16 16 VAL CB C 29.655 0.300 1 102 16 16 VAL CG1 C 18.484 0.300 2 103 16 16 VAL CG2 C 18.981 0.300 2 104 16 16 VAL N N 122.168 0.300 1 105 17 17 SER HA H 4.210 0.030 1 106 17 17 SER HB2 H 3.698 0.030 2 107 17 17 SER HB3 H 3.799 0.030 2 108 17 17 SER C C 172.317 0.300 1 109 17 17 SER CA C 56.231 0.300 1 110 17 17 SER CB C 61.141 0.300 1 111 18 18 ASP H H 7.038 0.030 1 112 18 18 ASP HA H 4.281 0.030 1 113 18 18 ASP HB2 H 2.603 0.030 2 114 18 18 ASP HB3 H 2.452 0.030 2 115 18 18 ASP C C 175.153 0.300 1 116 18 18 ASP CA C 52.358 0.300 1 117 18 18 ASP CB C 39.572 0.300 1 118 18 18 ASP N N 121.900 0.300 1 119 19 19 GLN H H 9.017 0.030 1 120 19 19 GLN HA H 3.987 0.030 1 121 19 19 GLN HB2 H 1.643 0.030 2 122 19 19 GLN HB3 H 1.695 0.030 2 123 19 19 GLN HE21 H 7.239 0.030 2 124 19 19 GLN HE22 H 6.731 0.030 2 125 19 19 GLN HG2 H 1.886 0.030 2 126 19 19 GLN HG3 H 1.660 0.030 2 127 19 19 GLN C C 174.786 0.300 1 128 19 19 GLN CA C 54.946 0.300 1 129 19 19 GLN CB C 25.942 0.300 1 130 19 19 GLN CG C 30.875 0.300 1 131 19 19 GLN N N 126.906 0.300 1 132 19 19 GLN NE2 N 112.496 0.300 1 133 20 20 PHE H H 8.428 0.030 1 134 20 20 PHE HA H 4.471 0.030 1 135 20 20 PHE HB2 H 3.224 0.030 2 136 20 20 PHE HB3 H 2.915 0.030 2 137 20 20 PHE HD1 H 7.227 0.030 1 138 20 20 PHE HD2 H 7.227 0.030 1 139 20 20 PHE HZ H 7.155 0.030 1 140 20 20 PHE C C 172.766 0.300 1 141 20 20 PHE CA C 54.881 0.300 1 142 20 20 PHE CB C 35.162 0.300 1 143 20 20 PHE CD1 C 129.186 0.300 1 144 20 20 PHE CD2 C 129.186 0.300 1 145 20 20 PHE CZ C 127.477 0.300 1 146 20 20 PHE N N 118.760 0.300 1 147 21 21 TYR H H 6.929 0.030 1 148 21 21 TYR HA H 4.200 0.030 1 149 21 21 TYR HB2 H 2.956 0.030 2 150 21 21 TYR HB3 H 2.800 0.030 2 151 21 21 TYR HD1 H 7.292 0.030 1 152 21 21 TYR HD2 H 7.292 0.030 1 153 21 21 TYR HE1 H 7.166 0.030 1 154 21 21 TYR HE2 H 7.166 0.030 1 155 21 21 TYR C C 175.155 0.300 1 156 21 21 TYR CA C 56.934 0.300 1 157 21 21 TYR CB C 36.201 0.300 1 158 21 21 TYR CD1 C 132.213 0.300 1 159 21 21 TYR CD2 C 132.213 0.300 1 160 21 21 TYR CE1 C 116.677 0.300 1 161 21 21 TYR CE2 C 116.677 0.300 1 162 21 21 TYR N N 123.534 0.300 1 163 22 22 ARG H H 7.768 0.030 1 164 22 22 ARG HA H 3.638 0.030 1 165 22 22 ARG HB2 H 0.953 0.030 2 166 22 22 ARG HB3 H 1.066 0.030 2 167 22 22 ARG HD2 H 2.785 0.030 1 168 22 22 ARG HD3 H 2.785 0.030 1 169 22 22 ARG HG2 H 0.853 0.030 2 170 22 22 ARG HG3 H 0.930 0.030 2 171 22 22 ARG C C 173.158 0.300 1 172 22 22 ARG CA C 55.888 0.300 1 173 22 22 ARG CB C 28.288 0.300 1 174 22 22 ARG CD C 40.931 0.300 1 175 22 22 ARG CG C 24.310 0.300 1 176 22 22 ARG N N 122.967 0.300 1 177 23 23 TYR H H 5.808 0.030 1 178 23 23 TYR HA H 4.498 0.030 1 179 23 23 TYR HB2 H 2.810 0.030 2 180 23 23 TYR HB3 H 2.871 0.030 2 181 23 23 TYR HD1 H 6.571 0.030 1 182 23 23 TYR HD2 H 6.571 0.030 1 183 23 23 TYR HE1 H 6.614 0.030 1 184 23 23 TYR HE2 H 6.614 0.030 1 185 23 23 TYR C C 171.875 0.300 1 186 23 23 TYR CA C 54.727 0.300 1 187 23 23 TYR CB C 35.353 0.300 1 188 23 23 TYR CD1 C 131.152 0.300 1 189 23 23 TYR CD2 C 131.152 0.300 1 190 23 23 TYR CE1 C 115.995 0.300 1 191 23 23 TYR CE2 C 115.995 0.300 1 192 23 23 TYR N N 117.236 0.300 1 193 24 24 LYS H H 8.511 0.030 1 194 24 24 LYS HA H 5.258 0.030 1 195 24 24 LYS HB2 H 1.721 0.030 2 196 24 24 LYS HB3 H 1.477 0.030 2 197 24 24 LYS HD2 H 1.602 0.030 2 198 24 24 LYS HD3 H 1.140 0.030 2 199 24 24 LYS HE2 H 3.054 0.030 2 200 24 24 LYS HE3 H 2.812 0.030 2 201 24 24 LYS HG2 H 1.250 0.030 1 202 24 24 LYS HG3 H 1.250 0.030 1 203 24 24 LYS C C 173.870 0.300 1 204 24 24 LYS CA C 50.747 0.300 1 205 24 24 LYS CB C 33.636 0.300 1 206 24 24 LYS CD C 26.259 0.300 1 207 24 24 LYS CE C 40.503 0.300 1 208 24 24 LYS CG C 22.118 0.300 1 209 24 24 LYS N N 123.823 0.300 1 210 25 25 MET H H 9.372 0.030 1 211 25 25 MET HA H 4.835 0.030 1 212 25 25 MET HB2 H 1.588 0.030 1 213 25 25 MET HB3 H 1.588 0.030 1 214 25 25 MET HE H 1.957 0.030 1 215 25 25 MET HG2 H 2.200 0.030 1 216 25 25 MET HG3 H 2.200 0.030 1 217 25 25 MET C C 168.683 0.300 1 218 25 25 MET CA C 49.829 0.300 1 219 25 25 MET CB C 30.381 0.300 1 220 25 25 MET CE C 15.993 0.300 1 221 25 25 MET CG C 28.833 0.300 1 222 25 25 MET N N 116.262 0.300 1 223 26 26 PRO HA H 4.637 0.030 1 224 26 26 PRO HB2 H 1.586 0.030 2 225 26 26 PRO HB3 H 2.185 0.030 2 226 26 26 PRO HD2 H 3.653 0.030 2 227 26 26 PRO HD3 H 3.246 0.030 2 228 26 26 PRO HG2 H 1.773 0.030 2 229 26 26 PRO HG3 H 1.871 0.030 2 230 26 26 PRO C C 174.644 0.300 1 231 26 26 PRO CA C 59.521 0.300 1 232 26 26 PRO CB C 29.066 0.300 1 233 26 26 PRO CD C 47.486 0.300 1 234 26 26 PRO CG C 24.931 0.300 1 235 27 27 ARG H H 8.179 0.030 1 236 27 27 ARG HA H 3.831 0.030 1 237 27 27 ARG HB2 H 1.696 0.030 2 238 27 27 ARG HB3 H 1.506 0.030 2 239 27 27 ARG HD2 H 3.045 0.030 2 240 27 27 ARG HD3 H 3.117 0.030 2 241 27 27 ARG HG2 H 1.394 0.030 2 242 27 27 ARG HG3 H 1.483 0.030 2 243 27 27 ARG C C 174.372 0.300 1 244 27 27 ARG CA C 54.622 0.300 1 245 27 27 ARG CB C 28.204 0.300 1 246 27 27 ARG CD C 41.002 0.300 1 247 27 27 ARG CG C 26.398 0.300 1 248 27 27 ARG N N 120.443 0.300 1 249 28 28 LEU H H 8.863 0.030 1 250 28 28 LEU HA H 4.033 0.030 1 251 28 28 LEU HB2 H 1.069 0.030 2 252 28 28 LEU HB3 H 1.589 0.030 2 253 28 28 LEU HD1 H 0.757 0.030 1 254 28 28 LEU HD2 H 0.713 0.030 1 255 28 28 LEU HG H 1.758 0.030 1 256 28 28 LEU C C 173.911 0.300 1 257 28 28 LEU CA C 54.297 0.300 1 258 28 28 LEU CB C 40.911 0.300 1 259 28 28 LEU CD1 C 23.197 0.300 2 260 28 28 LEU CD2 C 25.281 0.300 2 261 28 28 LEU CG C 24.106 0.300 1 262 28 28 LEU N N 124.672 0.300 1 263 29 29 ILE H H 8.546 0.030 1 264 29 29 ILE HA H 4.065 0.030 1 265 29 29 ILE HB H 1.290 0.030 1 266 29 29 ILE HD1 H 0.736 0.030 1 267 29 29 ILE HG12 H 1.503 0.030 2 268 29 29 ILE HG13 H 0.869 0.030 2 269 29 29 ILE HG2 H 0.749 0.030 1 270 29 29 ILE C C 171.487 0.300 1 271 29 29 ILE CA C 58.390 0.300 1 272 29 29 ILE CB C 38.292 0.300 1 273 29 29 ILE CD1 C 11.127 0.300 1 274 29 29 ILE CG1 C 24.850 0.300 1 275 29 29 ILE CG2 C 14.966 0.300 1 276 29 29 ILE N N 124.375 0.300 1 277 30 30 ALA H H 8.349 0.030 1 278 30 30 ALA HA H 5.464 0.030 1 279 30 30 ALA HB H 1.026 0.030 1 280 30 30 ALA C C 173.591 0.300 1 281 30 30 ALA CA C 47.397 0.300 1 282 30 30 ALA CB C 19.860 0.300 1 283 30 30 ALA N N 127.830 0.300 1 284 31 31 LYS H H 8.989 0.030 1 285 31 31 LYS HA H 4.687 0.030 1 286 31 31 LYS HB2 H 1.608 0.030 2 287 31 31 LYS HB3 H 1.704 0.030 2 288 31 31 LYS HD2 H 1.602 0.030 1 289 31 31 LYS HD3 H 1.602 0.030 1 290 31 31 LYS HE2 H 2.842 0.030 2 291 31 31 LYS HE3 H 2.893 0.030 2 292 31 31 LYS HG2 H 1.261 0.030 1 293 31 31 LYS HG3 H 1.261 0.030 1 294 31 31 LYS C C 172.027 0.300 1 295 31 31 LYS CA C 52.588 0.300 1 296 31 31 LYS CB C 33.966 0.300 1 297 31 31 LYS CD C 26.793 0.300 1 298 31 31 LYS CE C 39.860 0.300 1 299 31 31 LYS CG C 22.467 0.300 1 300 31 31 LYS N N 122.616 0.300 1 301 32 32 VAL H H 8.575 0.030 1 302 32 32 VAL HA H 4.918 0.030 1 303 32 32 VAL HB H 1.801 0.030 1 304 32 32 VAL HG1 H 0.780 0.030 1 305 32 32 VAL HG2 H 0.896 0.030 1 306 32 32 VAL C C 173.928 0.300 1 307 32 32 VAL CA C 59.594 0.300 1 308 32 32 VAL CB C 30.422 0.300 1 309 32 32 VAL CG1 C 19.397 0.300 2 310 32 32 VAL CG2 C 19.023 0.300 2 311 32 32 VAL N N 124.856 0.300 1 312 33 33 GLU H H 9.242 0.030 1 313 33 33 GLU HA H 4.637 0.030 1 314 33 33 GLU HB2 H 1.892 0.030 2 315 33 33 GLU HB3 H 1.658 0.030 2 316 33 33 GLU HG2 H 1.981 0.030 2 317 33 33 GLU HG3 H 2.063 0.030 2 318 33 33 GLU C C 172.873 0.300 1 319 33 33 GLU CA C 52.412 0.300 1 320 33 33 GLU CB C 31.863 0.300 1 321 33 33 GLU CG C 33.843 0.300 1 322 33 33 GLU N N 125.843 0.300 1 323 34 34 GLY H H 8.254 0.030 1 324 34 34 GLY HA2 H 4.232 0.030 2 325 34 34 GLY HA3 H 3.605 0.030 2 326 34 34 GLY C C 170.250 0.300 1 327 34 34 GLY CA C 41.795 0.300 1 328 34 34 GLY N N 106.937 0.300 1 329 35 35 LYS H H 7.884 0.030 1 330 35 35 LYS HA H 4.406 0.030 1 331 35 35 LYS HB2 H 1.541 0.030 2 332 35 35 LYS HB3 H 1.653 0.030 2 333 35 35 LYS HD2 H 1.526 0.030 1 334 35 35 LYS HD3 H 1.526 0.030 1 335 35 35 LYS HE2 H 2.844 0.030 1 336 35 35 LYS HE3 H 2.844 0.030 1 337 35 35 LYS HG2 H 1.196 0.030 1 338 35 35 LYS HG3 H 1.196 0.030 1 339 35 35 LYS C C 174.084 0.300 1 340 35 35 LYS CA C 52.533 0.300 1 341 35 35 LYS CB C 33.783 0.300 1 342 35 35 LYS CD C 26.898 0.300 1 343 35 35 LYS CE C 39.739 0.300 1 344 35 35 LYS CG C 21.762 0.300 1 345 35 35 LYS N N 114.648 0.300 1 346 36 36 GLY H H 8.831 0.030 1 347 36 36 GLY HA2 H 3.811 0.030 2 348 36 36 GLY HA3 H 3.593 0.030 2 349 36 36 GLY C C 173.710 0.300 1 350 36 36 GLY CA C 44.327 0.300 1 351 36 36 GLY N N 111.023 0.300 1 352 37 37 ASN HA H 4.520 0.030 1 353 37 37 ASN HB2 H 2.772 0.030 1 354 37 37 ASN HB3 H 2.772 0.030 1 355 37 37 ASN HD21 H 7.527 0.030 2 356 37 37 ASN HD22 H 6.867 0.030 2 357 37 37 ASN C C 173.501 0.300 1 358 37 37 ASN CA C 51.951 0.300 1 359 37 37 ASN CB C 35.430 0.300 1 360 37 37 ASN ND2 N 112.297 0.300 1 361 38 38 GLY H H 8.274 0.030 1 362 38 38 GLY HA2 H 4.249 0.030 2 363 38 38 GLY HA3 H 3.590 0.030 2 364 38 38 GLY C C 171.502 0.300 1 365 38 38 GLY CA C 42.697 0.300 1 366 38 38 GLY N N 108.076 0.300 1 367 39 39 ILE H H 6.827 0.030 1 368 39 39 ILE HA H 4.175 0.030 1 369 39 39 ILE HB H 1.295 0.030 1 370 39 39 ILE HD1 H 0.682 0.030 1 371 39 39 ILE HG12 H 0.601 0.030 2 372 39 39 ILE HG13 H 1.248 0.030 2 373 39 39 ILE HG2 H 0.566 0.030 1 374 39 39 ILE C C 172.725 0.300 1 375 39 39 ILE CA C 59.927 0.300 1 376 39 39 ILE CB C 36.477 0.300 1 377 39 39 ILE CD1 C 11.706 0.300 1 378 39 39 ILE CG1 C 26.608 0.300 1 379 39 39 ILE CG2 C 14.979 0.300 1 380 39 39 ILE N N 121.384 0.300 1 381 40 40 LYS H H 8.949 0.030 1 382 40 40 LYS HA H 4.962 0.030 1 383 40 40 LYS HB2 H 1.490 0.030 2 384 40 40 LYS HB3 H 1.602 0.030 2 385 40 40 LYS HD2 H 1.419 0.030 2 386 40 40 LYS HD3 H 1.458 0.030 2 387 40 40 LYS HE2 H 2.750 0.030 1 388 40 40 LYS HE3 H 2.750 0.030 1 389 40 40 LYS HG2 H 1.138 0.030 2 390 40 40 LYS HG3 H 1.339 0.030 2 391 40 40 LYS C C 171.240 0.300 1 392 40 40 LYS CA C 53.154 0.300 1 393 40 40 LYS CB C 33.028 0.300 1 394 40 40 LYS CD C 26.836 0.300 1 395 40 40 LYS CE C 39.696 0.300 1 396 40 40 LYS CG C 21.133 0.300 1 397 40 40 LYS N N 126.282 0.300 1 398 41 41 THR H H 9.167 0.030 1 399 41 41 THR HA H 4.712 0.030 1 400 41 41 THR HB H 4.099 0.030 1 401 41 41 THR HG2 H 1.052 0.030 1 402 41 41 THR C C 170.283 0.300 1 403 41 41 THR CA C 60.636 0.300 1 404 41 41 THR CB C 67.956 0.300 1 405 41 41 THR CG2 C 19.088 0.300 1 406 41 41 THR N N 116.755 0.300 1 407 42 42 VAL H H 9.317 0.030 1 408 42 42 VAL HA H 4.205 0.030 1 409 42 42 VAL HB H 2.048 0.030 1 410 42 42 VAL HG1 H 0.822 0.030 1 411 42 42 VAL HG2 H 0.763 0.030 1 412 42 42 VAL C C 174.060 0.300 1 413 42 42 VAL CA C 58.773 0.300 1 414 42 42 VAL CB C 30.628 0.300 1 415 42 42 VAL CG1 C 19.180 0.300 2 416 42 42 VAL CG2 C 18.112 0.300 2 417 42 42 VAL N N 127.833 0.300 1 418 43 43 ILE H H 8.901 0.030 1 419 43 43 ILE HA H 4.699 0.030 1 420 43 43 ILE HB H 2.088 0.030 1 421 43 43 ILE HD1 H 0.903 0.030 1 422 43 43 ILE HG12 H 1.464 0.030 2 423 43 43 ILE HG13 H 1.061 0.030 2 424 43 43 ILE HG2 H 0.975 0.030 1 425 43 43 ILE C C 175.237 0.300 1 426 43 43 ILE CA C 58.849 0.300 1 427 43 43 ILE CB C 32.885 0.300 1 428 43 43 ILE CD1 C 12.872 0.300 1 429 43 43 ILE CG1 C 26.506 0.300 1 430 43 43 ILE CG2 C 19.148 0.300 1 431 43 43 ILE N N 127.833 0.300 1 432 44 44 VAL H H 8.130 0.030 1 433 44 44 VAL HA H 3.655 0.030 1 434 44 44 VAL HB H 1.735 0.030 1 435 44 44 VAL HG1 H 0.923 0.030 1 436 44 44 VAL HG2 H 0.947 0.030 1 437 44 44 VAL C C 174.492 0.300 1 438 44 44 VAL CA C 63.504 0.300 1 439 44 44 VAL CB C 30.499 0.300 1 440 44 44 VAL CG1 C 18.347 0.300 2 441 44 44 VAL CG2 C 19.787 0.300 2 442 44 44 VAL N N 128.087 0.300 1 443 45 45 ASN H H 8.140 0.030 1 444 45 45 ASN HA H 5.377 0.030 1 445 45 45 ASN HB2 H 2.531 0.030 2 446 45 45 ASN HB3 H 3.296 0.030 2 447 45 45 ASN HD21 H 7.552 0.030 2 448 45 45 ASN HD22 H 7.678 0.030 2 449 45 45 ASN C C 173.601 0.300 1 450 45 45 ASN CA C 48.821 0.300 1 451 45 45 ASN CB C 35.409 0.300 1 452 45 45 ASN N N 115.507 0.300 1 453 45 45 ASN ND2 N 109.119 0.300 1 454 46 46 MET H H 7.441 0.030 1 455 46 46 MET HA H 4.038 0.030 1 456 46 46 MET HB2 H 2.033 0.030 2 457 46 46 MET HB3 H 1.820 0.030 2 458 46 46 MET HE H 1.858 0.030 1 459 46 46 MET HG2 H 2.031 0.030 1 460 46 46 MET HG3 H 2.031 0.030 1 461 46 46 MET C C 175.237 0.300 1 462 46 46 MET CA C 55.564 0.300 1 463 46 46 MET CB C 31.122 0.300 1 464 46 46 MET CE C 16.830 0.300 1 465 46 46 MET CG C 29.776 0.300 1 466 46 46 MET N N 118.631 0.300 1 467 47 47 VAL H H 8.715 0.030 1 468 47 47 VAL HA H 3.290 0.030 1 469 47 47 VAL HB H 2.003 0.030 1 470 47 47 VAL HG1 H 0.851 0.030 1 471 47 47 VAL HG2 H 0.993 0.030 1 472 47 47 VAL C C 175.406 0.300 1 473 47 47 VAL CA C 64.986 0.300 1 474 47 47 VAL CB C 28.871 0.300 1 475 47 47 VAL CG1 C 18.613 0.300 2 476 47 47 VAL CG2 C 21.224 0.300 2 477 47 47 VAL N N 116.329 0.300 1 478 48 48 ASP H H 7.421 0.030 1 479 48 48 ASP HA H 4.337 0.030 1 480 48 48 ASP HB2 H 2.581 0.030 1 481 48 48 ASP HB3 H 2.581 0.030 1 482 48 48 ASP C C 177.093 0.300 1 483 48 48 ASP CA C 54.853 0.300 1 484 48 48 ASP CB C 38.829 0.300 1 485 48 48 ASP N N 119.928 0.300 1 486 49 49 VAL H H 7.941 0.030 1 487 49 49 VAL HA H 3.255 0.030 1 488 49 49 VAL HB H 1.881 0.030 1 489 49 49 VAL HG1 H 0.855 0.030 1 490 49 49 VAL HG2 H 0.704 0.030 1 491 49 49 VAL C C 174.254 0.300 1 492 49 49 VAL CA C 65.092 0.300 1 493 49 49 VAL CB C 30.003 0.300 1 494 49 49 VAL CG1 C 20.031 0.300 2 495 49 49 VAL CG2 C 19.012 0.300 2 496 49 49 VAL N N 121.858 0.300 1 497 50 50 ALA H H 8.645 0.030 1 498 50 50 ALA HA H 3.532 0.030 1 499 50 50 ALA HB H 1.263 0.030 1 500 50 50 ALA C C 177.291 0.300 1 501 50 50 ALA CA C 53.472 0.300 1 502 50 50 ALA CB C 14.971 0.300 1 503 50 50 ALA N N 120.137 0.300 1 504 51 51 LYS H H 7.903 0.030 1 505 51 51 LYS HA H 4.088 0.030 1 506 51 51 LYS HB2 H 1.890 0.030 2 507 51 51 LYS HB3 H 1.830 0.030 2 508 51 51 LYS HD2 H 1.614 0.030 1 509 51 51 LYS HD3 H 1.614 0.030 1 510 51 51 LYS HE2 H 2.852 0.030 1 511 51 51 LYS HE3 H 2.852 0.030 1 512 51 51 LYS HG2 H 1.510 0.030 2 513 51 51 LYS HG3 H 1.375 0.030 2 514 51 51 LYS C C 178.002 0.300 1 515 51 51 LYS CA C 57.109 0.300 1 516 51 51 LYS CB C 29.927 0.300 1 517 51 51 LYS CD C 26.932 0.300 1 518 51 51 LYS CE C 39.716 0.300 1 519 51 51 LYS CG C 22.982 0.300 1 520 51 51 LYS N N 117.397 0.300 1 521 52 52 ALA H H 7.315 0.030 1 522 52 52 ALA HA H 4.213 0.030 1 523 52 52 ALA HB H 1.648 0.030 1 524 52 52 ALA C C 175.713 0.300 1 525 52 52 ALA CA C 52.163 0.300 1 526 52 52 ALA CB C 15.769 0.300 1 527 52 52 ALA N N 121.470 0.300 1 528 53 53 LEU H H 7.267 0.030 1 529 53 53 LEU HA H 4.196 0.030 1 530 53 53 LEU HB2 H 1.631 0.030 2 531 53 53 LEU HB3 H 1.519 0.030 2 532 53 53 LEU HD1 H 0.698 0.030 1 533 53 53 LEU HD2 H 0.876 0.030 1 534 53 53 LEU HG H 2.073 0.030 1 535 53 53 LEU C C 173.851 0.300 1 536 53 53 LEU CA C 51.439 0.300 1 537 53 53 LEU CB C 39.439 0.300 1 538 53 53 LEU CD1 C 23.346 0.300 2 539 53 53 LEU CD2 C 20.901 0.300 2 540 53 53 LEU CG C 23.332 0.300 1 541 53 53 LEU N N 113.130 0.300 1 542 54 54 ASN H H 8.023 0.030 1 543 54 54 ASN HA H 4.314 0.030 1 544 54 54 ASN HB2 H 3.211 0.030 2 545 54 54 ASN HB3 H 2.611 0.030 2 546 54 54 ASN HD21 H 6.842 0.030 2 547 54 54 ASN HD22 H 7.756 0.030 2 548 54 54 ASN C C 173.493 0.300 1 549 54 54 ASN CA C 51.331 0.300 1 550 54 54 ASN CB C 35.388 0.300 1 551 54 54 ASN N N 117.505 0.300 1 552 54 54 ASN ND2 N 112.490 0.300 1 553 55 55 ARG H H 7.843 0.030 1 554 55 55 ARG HA H 4.849 0.030 1 555 55 55 ARG HB2 H 1.396 0.030 2 556 55 55 ARG HB3 H 1.176 0.030 2 557 55 55 ARG HD2 H 2.824 0.030 2 558 55 55 ARG HD3 H 3.963 0.030 2 559 55 55 ARG HE H 6.200 0.030 1 560 55 55 ARG HG2 H 2.053 0.030 1 561 55 55 ARG HG3 H 2.053 0.030 1 562 55 55 ARG C C 169.387 0.300 1 563 55 55 ARG CA C 48.520 0.300 1 564 55 55 ARG CB C 29.886 0.300 1 565 55 55 ARG CD C 41.061 0.300 1 566 55 55 ARG CG C 25.799 0.300 1 567 55 55 ARG N N 116.678 0.300 1 568 55 55 ARG NE N 79.711 0.300 1 569 56 56 PRO HA H 4.369 0.030 1 570 56 56 PRO HB2 H 2.154 0.030 2 571 56 56 PRO HB3 H 1.099 0.030 2 572 56 56 PRO HD2 H 2.041 0.030 2 573 56 56 PRO HD3 H 3.471 0.030 2 574 56 56 PRO HG2 H 1.092 0.030 2 575 56 56 PRO HG3 H 1.597 0.030 2 576 56 56 PRO CA C 58.846 0.300 1 577 56 56 PRO CB C 29.003 0.300 1 578 56 56 PRO CD C 47.524 0.300 1 579 56 56 PRO CG C 25.676 0.300 1 580 57 57 PRO HA H 3.509 0.030 1 581 57 57 PRO HB2 H 1.274 0.030 2 582 57 57 PRO HB3 H 0.533 0.030 2 583 57 57 PRO HD2 H 3.433 0.030 2 584 57 57 PRO HD3 H 3.779 0.030 2 585 57 57 PRO HG2 H 1.795 0.030 1 586 57 57 PRO HG3 H 1.795 0.030 1 587 57 57 PRO C C 174.095 0.300 1 588 57 57 PRO CA C 61.963 0.300 1 589 57 57 PRO CB C 28.240 0.300 1 590 57 57 PRO CD C 47.890 0.300 1 591 57 57 PRO CG C 25.614 0.300 1 592 58 58 THR H H 6.857 0.030 1 593 58 58 THR HA H 3.212 0.030 1 594 58 58 THR HB H 3.766 0.030 1 595 58 58 THR HG2 H 0.571 0.030 1 596 58 58 THR C C 173.601 0.300 1 597 58 58 THR CA C 61.042 0.300 1 598 58 58 THR CB C 66.079 0.300 1 599 58 58 THR CG2 C 19.830 0.300 1 600 58 58 THR N N 107.667 0.300 1 601 59 59 TYR H H 7.631 0.030 1 602 59 59 TYR HA H 4.331 0.030 1 603 59 59 TYR HB2 H 2.642 0.030 2 604 59 59 TYR HB3 H 3.382 0.030 2 605 59 59 TYR HD1 H 6.882 0.030 1 606 59 59 TYR HD2 H 6.882 0.030 1 607 59 59 TYR HE1 H 6.648 0.030 1 608 59 59 TYR HE2 H 6.648 0.030 1 609 59 59 TYR C C 171.282 0.300 1 610 59 59 TYR CA C 57.712 0.300 1 611 59 59 TYR CB C 30.628 0.300 1 612 59 59 TYR CD1 C 127.422 0.300 1 613 59 59 TYR CD2 C 127.422 0.300 1 614 59 59 TYR CE1 C 116.022 0.300 1 615 59 59 TYR CE2 C 116.022 0.300 1 616 59 59 TYR N N 119.013 0.300 1 617 60 60 PRO HA H 2.569 0.030 1 618 60 60 PRO HB2 H 0.873 0.030 2 619 60 60 PRO HB3 H 0.429 0.030 2 620 60 60 PRO HD2 H 3.924 0.030 2 621 60 60 PRO HD3 H 2.704 0.030 2 622 60 60 PRO HG2 H 0.774 0.030 2 623 60 60 PRO HG3 H 1.683 0.030 2 624 60 60 PRO C C 173.256 0.300 1 625 60 60 PRO CA C 61.577 0.300 1 626 60 60 PRO CB C 26.536 0.300 1 627 60 60 PRO CD C 46.419 0.300 1 628 60 60 PRO CG C 24.851 0.300 1 629 61 61 THR H H 5.900 0.030 1 630 61 61 THR HA H 3.984 0.030 1 631 61 61 THR HB H 3.358 0.030 1 632 61 61 THR HG2 H 1.220 0.030 1 633 61 61 THR C C 173.110 0.300 1 634 61 61 THR CA C 65.930 0.300 1 635 61 61 THR CB C 65.629 0.300 1 636 61 61 THR CG2 C 19.889 0.300 1 637 61 61 THR N N 109.591 0.300 1 638 62 62 LYS H H 8.075 0.030 1 639 62 62 LYS HA H 3.895 0.030 1 640 62 62 LYS HB2 H 1.321 0.030 2 641 62 62 LYS HB3 H 1.140 0.030 2 642 62 62 LYS HD2 H 1.183 0.030 2 643 62 62 LYS HD3 H 1.460 0.030 2 644 62 62 LYS HE2 H 2.578 0.030 1 645 62 62 LYS HE3 H 2.578 0.030 1 646 62 62 LYS HG2 H 0.476 0.030 2 647 62 62 LYS HG3 H 0.444 0.030 2 648 62 62 LYS C C 176.218 0.300 1 649 62 62 LYS CA C 54.695 0.300 1 650 62 62 LYS CB C 28.555 0.300 1 651 62 62 LYS CD C 25.451 0.300 1 652 62 62 LYS CE C 39.713 0.300 1 653 62 62 LYS CG C 21.192 0.300 1 654 62 62 LYS N N 119.098 0.300 1 655 63 63 TYR H H 8.149 0.030 1 656 63 63 TYR HA H 3.656 0.030 1 657 63 63 TYR HB2 H 2.851 0.030 2 658 63 63 TYR HB3 H 2.763 0.030 2 659 63 63 TYR HD1 H 6.683 0.030 1 660 63 63 TYR HD2 H 6.683 0.030 1 661 63 63 TYR HE1 H 6.763 0.030 1 662 63 63 TYR HE2 H 6.763 0.030 1 663 63 63 TYR C C 174.431 0.300 1 664 63 63 TYR CA C 61.007 0.300 1 665 63 63 TYR CB C 35.553 0.300 1 666 63 63 TYR CD1 C 130.136 0.300 1 667 63 63 TYR CD2 C 130.136 0.300 1 668 63 63 TYR N N 121.143 0.300 1 669 64 64 PHE H H 7.877 0.030 1 670 64 64 PHE HA H 4.377 0.030 1 671 64 64 PHE HB2 H 3.269 0.030 2 672 64 64 PHE HB3 H 2.787 0.030 2 673 64 64 PHE HD1 H 6.971 0.030 1 674 64 64 PHE HD2 H 6.971 0.030 1 675 64 64 PHE HE1 H 6.811 0.030 1 676 64 64 PHE HE2 H 6.811 0.030 1 677 64 64 PHE C C 175.825 0.300 1 678 64 64 PHE CA C 55.754 0.300 1 679 64 64 PHE CB C 34.915 0.300 1 680 64 64 PHE CD1 C 128.028 0.300 1 681 64 64 PHE CD2 C 128.028 0.300 1 682 64 64 PHE CE1 C 126.792 0.300 1 683 64 64 PHE CE2 C 126.792 0.300 1 684 64 64 PHE N N 116.516 0.300 1 685 65 65 GLY H H 7.725 0.030 1 686 65 65 GLY HA2 H 3.950 0.030 2 687 65 65 GLY HA3 H 3.568 0.030 2 688 65 65 GLY C C 174.368 0.300 1 689 65 65 GLY CA C 46.421 0.300 1 690 65 65 GLY N N 104.439 0.300 1 691 66 66 CYS H H 8.561 0.030 1 692 66 66 CYS HA H 4.001 0.030 1 693 66 66 CYS HB2 H 3.032 0.030 2 694 66 66 CYS HB3 H 2.782 0.030 2 695 66 66 CYS C C 175.185 0.300 1 696 66 66 CYS CA C 60.978 0.300 1 697 66 66 CYS CB C 24.699 0.300 1 698 66 66 CYS N N 119.303 0.300 1 699 67 67 GLU H H 8.012 0.030 1 700 67 67 GLU HA H 3.746 0.030 1 701 67 67 GLU HB2 H 1.921 0.030 2 702 67 67 GLU HB3 H 2.028 0.030 2 703 67 67 GLU HG2 H 1.566 0.030 2 704 67 67 GLU HG3 H 1.846 0.030 2 705 67 67 GLU C C 176.535 0.300 1 706 67 67 GLU CA C 56.072 0.300 1 707 67 67 GLU CB C 28.279 0.300 1 708 67 67 GLU CG C 34.337 0.300 1 709 67 67 GLU N N 118.057 0.300 1 710 68 68 LEU H H 8.137 0.030 1 711 68 68 LEU HA H 4.134 0.030 1 712 68 68 LEU HB2 H 1.489 0.030 2 713 68 68 LEU HB3 H 1.231 0.030 2 714 68 68 LEU HD1 H -0.181 0.030 1 715 68 68 LEU HD2 H 0.687 0.030 1 716 68 68 LEU HG H 1.412 0.030 1 717 68 68 LEU C C 175.573 0.300 1 718 68 68 LEU CA C 52.729 0.300 1 719 68 68 LEU CB C 40.931 0.300 1 720 68 68 LEU CD1 C 22.096 0.300 2 721 68 68 LEU CD2 C 20.528 0.300 2 722 68 68 LEU CG C 24.257 0.300 1 723 68 68 LEU N N 115.852 0.300 1 724 69 69 GLY H H 7.677 0.030 1 725 69 69 GLY HA2 H 3.723 0.030 2 726 69 69 GLY HA3 H 3.792 0.030 2 727 69 69 GLY C C 171.572 0.300 1 728 69 69 GLY CA C 44.417 0.300 1 729 69 69 GLY N N 110.222 0.300 1 730 70 70 ALA H H 8.200 0.030 1 731 70 70 ALA HA H 4.675 0.030 1 732 70 70 ALA HB H 1.180 0.030 1 733 70 70 ALA C C 174.234 0.300 1 734 70 70 ALA CA C 47.742 0.300 1 735 70 70 ALA CB C 21.478 0.300 1 736 70 70 ALA N N 121.621 0.300 1 737 71 71 GLN H H 8.520 0.030 1 738 71 71 GLN HA H 4.142 0.030 1 739 71 71 GLN HB2 H 1.820 0.030 2 740 71 71 GLN HB3 H 1.958 0.030 2 741 71 71 GLN HE21 H 6.776 0.030 2 742 71 71 GLN HE22 H 7.491 0.030 2 743 71 71 GLN HG2 H 2.350 0.030 2 744 71 71 GLN HG3 H 2.281 0.030 2 745 71 71 GLN C C 172.287 0.300 1 746 71 71 GLN CA C 53.658 0.300 1 747 71 71 GLN CB C 27.132 0.300 1 748 71 71 GLN CG C 31.722 0.300 1 749 71 71 GLN N N 120.184 0.300 1 750 71 71 GLN NE2 N 112.628 0.300 1 751 72 72 THR H H 7.914 0.030 1 752 72 72 THR HA H 4.947 0.030 1 753 72 72 THR HB H 3.879 0.030 1 754 72 72 THR HG2 H 1.142 0.030 1 755 72 72 THR C C 171.741 0.300 1 756 72 72 THR CA C 56.702 0.300 1 757 72 72 THR CB C 70.695 0.300 1 758 72 72 THR CG2 C 20.606 0.300 1 759 72 72 THR N N 109.686 0.300 1 760 73 73 GLN H H 8.476 0.030 1 761 73 73 GLN HA H 4.184 0.030 1 762 73 73 GLN HB2 H 1.737 0.030 2 763 73 73 GLN HB3 H 1.598 0.030 2 764 73 73 GLN HE21 H 7.492 0.030 2 765 73 73 GLN HE22 H 6.660 0.030 2 766 73 73 GLN HG2 H 2.033 0.030 2 767 73 73 GLN HG3 H 1.968 0.030 2 768 73 73 GLN C C 170.788 0.300 1 769 73 73 GLN CA C 52.499 0.300 1 770 73 73 GLN CB C 30.340 0.300 1 771 73 73 GLN CG C 31.404 0.300 1 772 73 73 GLN N N 117.540 0.300 1 773 73 73 GLN NE2 N 111.154 0.300 1 774 74 74 PHE H H 8.357 0.030 1 775 74 74 PHE HA H 5.021 0.030 1 776 74 74 PHE HB2 H 2.927 0.030 1 777 74 74 PHE HB3 H 2.927 0.030 1 778 74 74 PHE HD1 H 7.140 0.030 1 779 74 74 PHE HD2 H 7.140 0.030 1 780 74 74 PHE HE1 H 7.234 0.030 1 781 74 74 PHE HE2 H 7.234 0.030 1 782 74 74 PHE HZ H 6.945 0.030 1 783 74 74 PHE C C 172.555 0.300 1 784 74 74 PHE CA C 50.765 0.300 1 785 74 74 PHE CB C 38.085 0.300 1 786 74 74 PHE CD1 C 129.752 0.300 1 787 74 74 PHE CD2 C 129.752 0.300 1 788 74 74 PHE CE1 C 128.475 0.300 1 789 74 74 PHE CE2 C 128.475 0.300 1 790 74 74 PHE CZ C 127.259 0.300 1 791 74 74 PHE N N 120.433 0.300 1 792 75 75 ASP H H 8.537 0.030 1 793 75 75 ASP HA H 4.699 0.030 1 794 75 75 ASP HB2 H 2.353 0.030 2 795 75 75 ASP HB3 H 2.687 0.030 2 796 75 75 ASP C C 174.485 0.300 1 797 75 75 ASP CA C 49.953 0.300 1 798 75 75 ASP CB C 38.410 0.300 1 799 75 75 ASP N N 123.676 0.300 1 800 76 76 VAL H H 8.279 0.030 1 801 76 76 VAL HA H 3.579 0.030 1 802 76 76 VAL HB H 2.030 0.030 1 803 76 76 VAL HG1 H 0.919 0.030 1 804 76 76 VAL HG2 H 0.983 0.030 1 805 76 76 VAL C C 176.964 0.300 1 806 76 76 VAL CA C 62.824 0.300 1 807 76 76 VAL CB C 29.535 0.300 1 808 76 76 VAL CG1 C 18.505 0.300 2 809 76 76 VAL CG2 C 18.516 0.300 2 810 76 76 VAL N N 122.692 0.300 1 811 77 77 LYS H H 8.263 0.030 1 812 77 77 LYS HA H 4.005 0.030 1 813 77 77 LYS HB2 H 1.781 0.030 2 814 77 77 LYS HB3 H 1.693 0.030 2 815 77 77 LYS HD2 H 1.595 0.030 1 816 77 77 LYS HD3 H 1.595 0.030 1 817 77 77 LYS HE2 H 2.884 0.030 1 818 77 77 LYS HE3 H 2.884 0.030 1 819 77 77 LYS HG2 H 1.326 0.030 1 820 77 77 LYS HG3 H 1.326 0.030 1 821 77 77 LYS C C 174.803 0.300 1 822 77 77 LYS CA C 56.295 0.300 1 823 77 77 LYS CB C 29.648 0.300 1 824 77 77 LYS CD C 26.506 0.300 1 825 77 77 LYS CE C 39.860 0.300 1 826 77 77 LYS CG C 22.385 0.300 1 827 77 77 LYS N N 120.366 0.300 1 828 78 78 ASN H H 7.024 0.030 1 829 78 78 ASN HA H 4.805 0.030 1 830 78 78 ASN HB2 H 2.100 0.030 2 831 78 78 ASN HB3 H 2.737 0.030 2 832 78 78 ASN HD21 H 6.817 0.030 2 833 78 78 ASN HD22 H 8.610 0.030 2 834 78 78 ASN C C 170.725 0.300 1 835 78 78 ASN CA C 50.059 0.300 1 836 78 78 ASN CB C 37.157 0.300 1 837 78 78 ASN N N 112.639 0.300 1 838 78 78 ASN ND2 N 117.529 0.300 1 839 79 79 ASP H H 7.708 0.030 1 840 79 79 ASP HA H 4.239 0.030 1 841 79 79 ASP HB2 H 3.072 0.030 2 842 79 79 ASP HB3 H 2.642 0.030 2 843 79 79 ASP C C 172.129 0.300 1 844 79 79 ASP CA C 53.273 0.300 1 845 79 79 ASP CB C 37.264 0.300 1 846 79 79 ASP N N 117.845 0.300 1 847 80 80 ARG H H 7.576 0.030 1 848 80 80 ARG HA H 4.530 0.030 1 849 80 80 ARG HB2 H 1.434 0.030 1 850 80 80 ARG HB3 H 1.434 0.030 1 851 80 80 ARG HD2 H 2.943 0.030 2 852 80 80 ARG HD3 H 3.129 0.030 2 853 80 80 ARG HE H 7.241 0.030 1 854 80 80 ARG HG2 H 1.369 0.030 2 855 80 80 ARG HG3 H 1.423 0.030 2 856 80 80 ARG C C 170.845 0.300 1 857 80 80 ARG CA C 52.624 0.300 1 858 80 80 ARG CB C 30.916 0.300 1 859 80 80 ARG CD C 41.185 0.300 1 860 80 80 ARG CG C 24.594 0.300 1 861 80 80 ARG N N 117.007 0.300 1 862 81 81 TYR H H 8.652 0.030 1 863 81 81 TYR HA H 4.466 0.030 1 864 81 81 TYR HB2 H 2.619 0.030 2 865 81 81 TYR HB3 H 3.256 0.030 2 866 81 81 TYR HD1 H 6.923 0.030 1 867 81 81 TYR HD2 H 6.923 0.030 1 868 81 81 TYR HE1 H 6.254 0.030 1 869 81 81 TYR HE2 H 6.254 0.030 1 870 81 81 TYR C C 171.548 0.300 1 871 81 81 TYR CA C 56.956 0.300 1 872 81 81 TYR CB C 36.645 0.300 1 873 81 81 TYR CD1 C 130.877 0.300 1 874 81 81 TYR CD2 C 130.877 0.300 1 875 81 81 TYR CE1 C 114.430 0.300 1 876 81 81 TYR CE2 C 114.430 0.300 1 877 81 81 TYR N N 125.150 0.300 1 878 82 82 ILE H H 8.408 0.030 1 879 82 82 ILE HA H 4.978 0.030 1 880 82 82 ILE HB H 1.583 0.030 1 881 82 82 ILE HD1 H 0.582 0.030 1 882 82 82 ILE HG12 H 1.284 0.030 2 883 82 82 ILE HG13 H 0.777 0.030 2 884 82 82 ILE HG2 H 0.634 0.030 1 885 82 82 ILE C C 172.464 0.300 1 886 82 82 ILE CA C 57.727 0.300 1 887 82 82 ILE CB C 40.448 0.300 1 888 82 82 ILE CD1 C 11.698 0.300 1 889 82 82 ILE CG1 C 26.287 0.300 1 890 82 82 ILE CG2 C 16.546 0.300 1 891 82 82 ILE N N 123.369 0.300 1 892 83 83 VAL H H 8.899 0.030 1 893 83 83 VAL HA H 4.324 0.030 1 894 83 83 VAL HB H 1.657 0.030 1 895 83 83 VAL HG1 H 0.634 0.030 1 896 83 83 VAL HG2 H 0.835 0.030 1 897 83 83 VAL C C 172.229 0.300 1 898 83 83 VAL CA C 57.774 0.300 1 899 83 83 VAL CB C 32.353 0.300 1 900 83 83 VAL CG1 C 18.866 0.300 2 901 83 83 VAL CG2 C 19.168 0.300 2 902 83 83 VAL N N 124.544 0.300 1 903 84 84 ASN H H 8.686 0.030 1 904 84 84 ASN HA H 4.352 0.030 1 905 84 84 ASN HB2 H 2.783 0.030 1 906 84 84 ASN HB3 H 2.783 0.030 1 907 84 84 ASN HD21 H 7.189 0.030 2 908 84 84 ASN HD22 H 6.561 0.030 2 909 84 84 ASN C C 173.419 0.300 1 910 84 84 ASN CA C 53.269 0.300 1 911 84 84 ASN CB C 36.233 0.300 1 912 84 84 ASN N N 127.378 0.300 1 913 84 84 ASN ND2 N 107.976 0.300 1 914 85 85 GLY H H 8.020 0.030 1 915 85 85 GLY HA2 H 3.234 0.030 2 916 85 85 GLY HA3 H 4.142 0.030 2 917 85 85 GLY C C 169.441 0.300 1 918 85 85 GLY CA C 41.375 0.300 1 919 85 85 GLY N N 108.103 0.300 1 920 86 86 SER H H 7.736 0.030 1 921 86 86 SER HA H 3.896 0.030 1 922 86 86 SER HB2 H 3.192 0.030 2 923 86 86 SER HB3 H 3.463 0.030 2 924 86 86 SER C C 170.380 0.300 1 925 86 86 SER CA C 53.206 0.300 1 926 86 86 SER CB C 60.548 0.300 1 927 86 86 SER N N 112.000 0.300 1 928 87 87 HIS H H 7.778 0.030 1 929 87 87 HIS HA H 4.599 0.030 1 930 87 87 HIS HB2 H 2.381 0.030 2 931 87 87 HIS HB3 H 2.343 0.030 2 932 87 87 HIS HD2 H 6.193 0.030 1 933 87 87 HIS HE1 H 7.595 0.030 1 934 87 87 HIS C C 171.531 0.300 1 935 87 87 HIS CA C 52.058 0.300 1 936 87 87 HIS CB C 31.205 0.300 1 937 87 87 HIS CD2 C 116.142 0.300 1 938 87 87 HIS CE1 C 136.004 0.300 1 939 87 87 HIS N N 125.840 0.300 1 940 88 88 GLU H H 8.568 0.030 1 941 88 88 GLU HA H 4.057 0.030 1 942 88 88 GLU HB2 H 2.154 0.030 2 943 88 88 GLU HB3 H 1.834 0.030 2 944 88 88 GLU HG2 H 2.318 0.030 2 945 88 88 GLU HG3 H 2.254 0.030 2 946 88 88 GLU C C 175.308 0.300 1 947 88 88 GLU CA C 53.782 0.300 1 948 88 88 GLU CB C 28.269 0.300 1 949 88 88 GLU CG C 34.404 0.300 1 950 88 88 GLU N N 121.528 0.300 1 951 89 89 ALA H H 8.868 0.030 1 952 89 89 ALA HA H 3.562 0.030 1 953 89 89 ALA HB H 1.422 0.030 1 954 89 89 ALA C C 176.668 0.300 1 955 89 89 ALA CA C 53.826 0.300 1 956 89 89 ALA CB C 15.705 0.300 1 957 89 89 ALA N N 124.801 0.300 1 958 90 90 ASN H H 8.763 0.030 1 959 90 90 ASN HA H 4.258 0.030 1 960 90 90 ASN HB2 H 2.733 0.030 1 961 90 90 ASN HB3 H 2.733 0.030 1 962 90 90 ASN HD21 H 6.899 0.030 2 963 90 90 ASN HD22 H 7.659 0.030 2 964 90 90 ASN C C 174.594 0.300 1 965 90 90 ASN CA C 54.091 0.300 1 966 90 90 ASN CB C 35.203 0.300 1 967 90 90 ASN N N 112.918 0.300 1 968 90 90 ASN ND2 N 113.500 0.300 1 969 91 91 LYS H H 6.807 0.030 1 970 91 91 LYS HA H 4.107 0.030 1 971 91 91 LYS HB2 H 1.865 0.030 2 972 91 91 LYS HB3 H 1.938 0.030 2 973 91 91 LYS HD2 H 1.820 0.030 1 974 91 91 LYS HD3 H 1.820 0.030 1 975 91 91 LYS HE2 H 2.842 0.030 2 976 91 91 LYS HE3 H 2.780 0.030 2 977 91 91 LYS HG2 H 1.146 0.030 2 978 91 91 LYS HG3 H 1.560 0.030 2 979 91 91 LYS C C 177.162 0.300 1 980 91 91 LYS CA C 56.285 0.300 1 981 91 91 LYS CB C 29.654 0.300 1 982 91 91 LYS CD C 26.944 0.300 1 983 91 91 LYS CE C 39.530 0.300 1 984 91 91 LYS CG C 22.351 0.300 1 985 91 91 LYS N N 120.128 0.300 1 986 92 92 LEU H H 7.479 0.030 1 987 92 92 LEU HA H 3.484 0.030 1 988 92 92 LEU HB2 H 1.541 0.030 2 989 92 92 LEU HB3 H 0.469 0.030 2 990 92 92 LEU HD1 H 0.276 0.030 1 991 92 92 LEU HD2 H -0.266 0.030 1 992 92 92 LEU HG H 1.271 0.030 1 993 92 92 LEU C C 175.774 0.300 1 994 92 92 LEU CA C 54.925 0.300 1 995 92 92 LEU CB C 38.418 0.300 1 996 92 92 LEU CD1 C 23.325 0.300 2 997 92 92 LEU CD2 C 18.073 0.300 2 998 92 92 LEU CG C 23.334 0.300 1 999 92 92 LEU N N 118.078 0.300 1 1000 93 93 GLN H H 8.989 0.030 1 1001 93 93 GLN HA H 3.600 0.030 1 1002 93 93 GLN HB2 H 2.277 0.030 1 1003 93 93 GLN HB3 H 2.277 0.030 1 1004 93 93 GLN HE21 H 8.794 0.030 2 1005 93 93 GLN HE22 H 8.422 0.030 2 1006 93 93 GLN HG2 H 2.247 0.030 2 1007 93 93 GLN HG3 H 2.129 0.030 2 1008 93 93 GLN C C 176.735 0.300 1 1009 93 93 GLN CA C 56.468 0.300 1 1010 93 93 GLN CB C 27.109 0.300 1 1011 93 93 GLN CG C 30.573 0.300 1 1012 93 93 GLN N N 121.198 0.300 1 1013 93 93 GLN NE2 N 119.166 0.300 1 1014 94 94 ASP H H 7.814 0.030 1 1015 94 94 ASP HA H 4.261 0.030 1 1016 94 94 ASP HB2 H 2.659 0.030 2 1017 94 94 ASP HB3 H 2.776 0.030 2 1018 94 94 ASP C C 177.549 0.300 1 1019 94 94 ASP CA C 55.016 0.300 1 1020 94 94 ASP CB C 37.305 0.300 1 1021 94 94 ASP N N 119.967 0.300 1 1022 95 95 MET H H 8.027 0.030 1 1023 95 95 MET HA H 4.352 0.030 1 1024 95 95 MET HB2 H 2.382 0.030 2 1025 95 95 MET HB3 H 2.234 0.030 2 1026 95 95 MET HE H 1.932 0.030 1 1027 95 95 MET HG2 H 2.871 0.030 2 1028 95 95 MET HG3 H 2.649 0.030 2 1029 95 95 MET C C 177.111 0.300 1 1030 95 95 MET CA C 57.089 0.300 1 1031 95 95 MET CB C 31.946 0.300 1 1032 95 95 MET CE C 15.765 0.300 1 1033 95 95 MET CG C 30.756 0.300 1 1034 95 95 MET N N 119.931 0.300 1 1035 96 96 LEU H H 8.995 0.030 1 1036 96 96 LEU HA H 4.004 0.030 1 1037 96 96 LEU HB2 H 1.655 0.030 2 1038 96 96 LEU HB3 H 2.443 0.030 2 1039 96 96 LEU HD1 H 0.556 0.030 1 1040 96 96 LEU HD2 H 0.858 0.030 1 1041 96 96 LEU HG H 1.881 0.030 1 1042 96 96 LEU C C 175.661 0.300 1 1043 96 96 LEU CA C 54.746 0.300 1 1044 96 96 LEU CB C 38.317 0.300 1 1045 96 96 LEU CD1 C 21.205 0.300 2 1046 96 96 LEU CD2 C 24.757 0.300 2 1047 96 96 LEU CG C 23.640 0.300 1 1048 96 96 LEU N N 121.855 0.300 1 1049 97 97 ASP H H 7.429 0.030 1 1050 97 97 ASP HA H 4.423 0.030 1 1051 97 97 ASP HB2 H 2.970 0.030 2 1052 97 97 ASP HB3 H 2.691 0.030 2 1053 97 97 ASP C C 176.488 0.300 1 1054 97 97 ASP CA C 56.196 0.300 1 1055 97 97 ASP CB C 37.562 0.300 1 1056 97 97 ASP N N 117.503 0.300 1 1057 98 98 GLY H H 7.708 0.030 1 1058 98 98 GLY HA2 H 3.895 0.030 2 1059 98 98 GLY HA3 H 4.010 0.030 2 1060 98 98 GLY C C 173.415 0.300 1 1061 98 98 GLY CA C 44.788 0.300 1 1062 98 98 GLY N N 108.489 0.300 1 1063 99 99 PHE H H 6.930 0.030 1 1064 99 99 PHE HA H 3.263 0.030 1 1065 99 99 PHE HB2 H 2.842 0.030 2 1066 99 99 PHE HB3 H 1.690 0.030 2 1067 99 99 PHE HD1 H 6.522 0.030 1 1068 99 99 PHE HD2 H 6.522 0.030 1 1069 99 99 PHE HE1 H 6.501 0.030 1 1070 99 99 PHE HE2 H 6.501 0.030 1 1071 99 99 PHE HZ H 6.547 0.030 1 1072 99 99 PHE C C 174.111 0.300 1 1073 99 99 PHE CA C 59.124 0.300 1 1074 99 99 PHE CB C 35.367 0.300 1 1075 99 99 PHE CD1 C 129.766 0.300 1 1076 99 99 PHE CD2 C 129.766 0.300 1 1077 99 99 PHE CE1 C 127.717 0.300 1 1078 99 99 PHE CE2 C 127.717 0.300 1 1079 99 99 PHE CZ C 124.584 0.300 1 1080 99 99 PHE N N 121.975 0.300 1 1081 100 100 ILE H H 8.630 0.030 1 1082 100 100 ILE HA H 3.131 0.030 1 1083 100 100 ILE HB H 1.942 0.030 1 1084 100 100 ILE HD1 H 1.064 0.030 1 1085 100 100 ILE HG12 H 1.873 0.030 2 1086 100 100 ILE HG13 H 0.817 0.030 2 1087 100 100 ILE HG2 H 0.748 0.030 1 1088 100 100 ILE C C 176.011 0.300 1 1089 100 100 ILE CA C 62.386 0.300 1 1090 100 100 ILE CB C 36.611 0.300 1 1091 100 100 ILE CD1 C 13.108 0.300 1 1092 100 100 ILE CG1 C 30.280 0.300 1 1093 100 100 ILE CG2 C 14.801 0.300 1 1094 100 100 ILE N N 120.223 0.300 1 1095 101 101 LYS H H 8.281 0.030 1 1096 101 101 LYS HA H 3.571 0.030 1 1097 101 101 LYS HB2 H 1.763 0.030 1 1098 101 101 LYS HB3 H 1.763 0.030 1 1099 101 101 LYS HD2 H 1.539 0.030 2 1100 101 101 LYS HD3 H 1.480 0.030 2 1101 101 101 LYS HE2 H 2.781 0.030 1 1102 101 101 LYS HE3 H 2.781 0.030 1 1103 101 101 LYS HG2 H 1.320 0.030 1 1104 101 101 LYS HG3 H 1.320 0.030 1 1105 101 101 LYS C C 174.114 0.300 1 1106 101 101 LYS CA C 57.434 0.300 1 1107 101 101 LYS CB C 30.265 0.300 1 1108 101 101 LYS CD C 26.724 0.300 1 1109 101 101 LYS CE C 39.723 0.300 1 1110 101 101 LYS CG C 22.705 0.300 1 1111 101 101 LYS N N 121.375 0.300 1 1112 102 102 LYS H H 7.164 0.030 1 1113 102 102 LYS HA H 3.765 0.030 1 1114 102 102 LYS HB2 H 1.168 0.030 2 1115 102 102 LYS HB3 H 0.666 0.030 2 1116 102 102 LYS HD2 H 1.280 0.030 2 1117 102 102 LYS HD3 H 1.391 0.030 2 1118 102 102 LYS HE2 H 2.893 0.030 1 1119 102 102 LYS HE3 H 2.893 0.030 1 1120 102 102 LYS HG2 H 1.153 0.030 2 1121 102 102 LYS HG3 H 0.793 0.030 2 1122 102 102 LYS C C 175.947 0.300 1 1123 102 102 LYS CA C 55.895 0.300 1 1124 102 102 LYS CB C 32.234 0.300 1 1125 102 102 LYS CD C 26.898 0.300 1 1126 102 102 LYS CE C 39.695 0.300 1 1127 102 102 LYS CG C 23.011 0.300 1 1128 102 102 LYS N N 112.990 0.300 1 1129 103 103 PHE H H 7.937 0.030 1 1130 103 103 PHE HA H 4.255 0.030 1 1131 103 103 PHE HB2 H 2.545 0.030 2 1132 103 103 PHE HB3 H 1.334 0.030 2 1133 103 103 PHE HD1 H 6.658 0.030 1 1134 103 103 PHE HD2 H 6.658 0.030 1 1135 103 103 PHE HE1 H 6.793 0.030 1 1136 103 103 PHE HE2 H 6.793 0.030 1 1137 103 103 PHE HZ H 6.881 0.030 1 1138 103 103 PHE C C 172.834 0.300 1 1139 103 103 PHE CA C 55.872 0.300 1 1140 103 103 PHE CB C 37.709 0.300 1 1141 103 103 PHE CD1 C 129.909 0.300 1 1142 103 103 PHE CD2 C 129.909 0.300 1 1143 103 103 PHE CE1 C 128.390 0.300 1 1144 103 103 PHE CE2 C 128.390 0.300 1 1145 103 103 PHE CZ C 127.433 0.300 1 1146 103 103 PHE N N 110.038 0.300 1 1147 104 104 VAL H H 7.331 0.030 1 1148 104 104 VAL HA H 3.854 0.030 1 1149 104 104 VAL HB H 2.234 0.030 1 1150 104 104 VAL HG1 H 0.902 0.030 1 1151 104 104 VAL HG2 H 0.608 0.030 1 1152 104 104 VAL C C 171.666 0.300 1 1153 104 104 VAL CA C 62.439 0.300 1 1154 104 104 VAL CB C 31.618 0.300 1 1155 104 104 VAL CG1 C 19.369 0.300 2 1156 104 104 VAL CG2 C 20.726 0.300 2 1157 104 104 VAL N N 118.869 0.300 1 1158 105 105 LEU H H 7.892 0.030 1 1159 105 105 LEU HA H 3.690 0.030 1 1160 105 105 LEU HB2 H 1.528 0.030 2 1161 105 105 LEU HB3 H 0.752 0.030 2 1162 105 105 LEU HD1 H 0.657 0.030 1 1163 105 105 LEU HD2 H 0.417 0.030 1 1164 105 105 LEU HG H 1.455 0.030 1 1165 105 105 LEU C C 174.813 0.300 1 1166 105 105 LEU CA C 52.865 0.300 1 1167 105 105 LEU CB C 38.046 0.300 1 1168 105 105 LEU CD1 C 22.888 0.300 2 1169 105 105 LEU CD2 C 18.379 0.300 2 1170 105 105 LEU CG C 23.378 0.300 1 1171 105 105 LEU N N 115.023 0.300 1 1172 106 106 CYS H H 8.381 0.030 1 1173 106 106 CYS HA H 3.986 0.030 1 1174 106 106 CYS HB2 H 2.961 0.030 2 1175 106 106 CYS HB3 H 2.826 0.030 2 1176 106 106 CYS C C 173.977 0.300 1 1177 106 106 CYS CA C 54.923 0.300 1 1178 106 106 CYS CB C 29.170 0.300 1 1179 106 106 CYS N N 127.084 0.300 1 1180 107 107 PRO HA H 4.080 0.030 1 1181 107 107 PRO HB2 H 2.030 0.030 2 1182 107 107 PRO HB3 H 1.476 0.030 2 1183 107 107 PRO HD2 H 3.447 0.030 2 1184 107 107 PRO HD3 H 3.386 0.030 2 1185 107 107 PRO HG2 H 1.157 0.030 2 1186 107 107 PRO HG3 H 1.703 0.030 2 1187 107 107 PRO C C 174.225 0.300 1 1188 107 107 PRO CA C 61.780 0.300 1 1189 107 107 PRO CB C 29.770 0.300 1 1190 107 107 PRO CD C 48.459 0.300 1 1191 107 107 PRO CG C 24.470 0.300 1 1192 108 108 GLU H H 8.726 0.030 1 1193 108 108 GLU HA H 4.164 0.030 1 1194 108 108 GLU HB2 H 1.502 0.030 2 1195 108 108 GLU HB3 H 1.833 0.030 2 1196 108 108 GLU HG2 H 1.752 0.030 2 1197 108 108 GLU HG3 H 1.868 0.030 2 1198 108 108 GLU C C 174.999 0.300 1 1199 108 108 GLU CA C 55.541 0.300 1 1200 108 108 GLU CB C 28.853 0.300 1 1201 108 108 GLU CG C 34.200 0.300 1 1202 108 108 GLU N N 120.809 0.300 1 1203 109 109 CYS H H 9.035 0.030 1 1204 109 109 CYS HA H 4.887 0.030 1 1205 109 109 CYS HB2 H 3.136 0.030 2 1206 109 109 CYS HB3 H 2.460 0.030 2 1207 109 109 CYS C C 174.210 0.300 1 1208 109 109 CYS CA C 56.427 0.300 1 1209 109 109 CYS CB C 30.098 0.300 1 1210 109 109 CYS N N 121.148 0.300 1 1211 110 110 GLU H H 7.627 0.030 1 1212 110 110 GLU HA H 3.910 0.030 1 1213 110 110 GLU HB2 H 2.240 0.030 2 1214 110 110 GLU HB3 H 2.073 0.030 2 1215 110 110 GLU HG2 H 1.922 0.030 1 1216 110 110 GLU HG3 H 1.922 0.030 1 1217 110 110 GLU C C 171.837 0.300 1 1218 110 110 GLU CA C 56.745 0.300 1 1219 110 110 GLU CB C 25.538 0.300 1 1220 110 110 GLU CG C 35.001 0.300 1 1221 110 110 GLU N N 116.157 0.300 1 1222 111 111 ASN H H 9.054 0.030 1 1223 111 111 ASN HA H 4.525 0.030 1 1224 111 111 ASN HB2 H 2.343 0.030 2 1225 111 111 ASN HB3 H 3.018 0.030 2 1226 111 111 ASN HD21 H 7.683 0.030 2 1227 111 111 ASN HD22 H 6.938 0.030 2 1228 111 111 ASN C C 172.617 0.300 1 1229 111 111 ASN CA C 51.385 0.300 1 1230 111 111 ASN CB C 39.534 0.300 1 1231 111 111 ASN N N 125.239 0.300 1 1232 111 111 ASN ND2 N 112.247 0.300 1 1233 112 112 PRO HA H 4.385 0.030 1 1234 112 112 PRO HB2 H 1.528 0.030 2 1235 112 112 PRO HB3 H 1.568 0.030 2 1236 112 112 PRO HD2 H 2.508 0.030 2 1237 112 112 PRO HD3 H 3.384 0.030 2 1238 112 112 PRO HG2 H 1.282 0.030 2 1239 112 112 PRO HG3 H 0.812 0.030 2 1240 112 112 PRO C C 173.533 0.300 1 1241 112 112 PRO CA C 60.969 0.300 1 1242 112 112 PRO CB C 29.360 0.300 1 1243 112 112 PRO CD C 48.337 0.300 1 1244 112 112 PRO CG C 24.644 0.300 1 1245 113 113 GLU H H 8.631 0.030 1 1246 113 113 GLU HA H 4.305 0.030 1 1247 113 113 GLU HB2 H 1.890 0.030 2 1248 113 113 GLU HB3 H 2.015 0.030 2 1249 113 113 GLU HG2 H 1.856 0.030 2 1250 113 113 GLU HG3 H 2.156 0.030 2 1251 113 113 GLU C C 172.151 0.300 1 1252 113 113 GLU CA C 53.791 0.300 1 1253 113 113 GLU CB C 25.971 0.300 1 1254 113 113 GLU CG C 34.834 0.300 1 1255 113 113 GLU N N 122.267 0.300 1 1256 114 114 THR H H 7.949 0.030 1 1257 114 114 THR HA H 5.373 0.030 1 1258 114 114 THR HB H 4.065 0.030 1 1259 114 114 THR HG2 H 1.068 0.030 1 1260 114 114 THR C C 172.796 0.300 1 1261 114 114 THR CA C 56.195 0.300 1 1262 114 114 THR CB C 70.734 0.300 1 1263 114 114 THR CG2 C 17.852 0.300 1 1264 114 114 THR N N 110.453 0.300 1 1265 115 115 ASP H H 8.972 0.030 1 1266 115 115 ASP HA H 5.061 0.030 1 1267 115 115 ASP HB2 H 2.257 0.030 1 1268 115 115 ASP HB3 H 2.257 0.030 1 1269 115 115 ASP C C 172.269 0.300 1 1270 115 115 ASP CA C 50.678 0.300 1 1271 115 115 ASP CB C 42.277 0.300 1 1272 115 115 ASP N N 122.740 0.300 1 1273 116 116 LEU H H 8.505 0.030 1 1274 116 116 LEU HA H 5.040 0.030 1 1275 116 116 LEU HB2 H 1.680 0.030 2 1276 116 116 LEU HB3 H 1.116 0.030 2 1277 116 116 LEU HD1 H 0.973 0.030 1 1278 116 116 LEU HD2 H 0.855 0.030 1 1279 116 116 LEU HG H 1.609 0.030 1 1280 116 116 LEU C C 173.907 0.300 1 1281 116 116 LEU CA C 50.625 0.300 1 1282 116 116 LEU CB C 41.933 0.300 1 1283 116 116 LEU CD1 C 23.576 0.300 2 1284 116 116 LEU CD2 C 20.900 0.300 2 1285 116 116 LEU CG C 24.539 0.300 1 1286 116 116 LEU N N 117.328 0.300 1 1287 117 117 HIS H H 8.766 0.030 1 1288 117 117 HIS HA H 4.819 0.030 1 1289 117 117 HIS HB2 H 2.673 0.030 2 1290 117 117 HIS HB3 H 2.894 0.030 2 1291 117 117 HIS HD2 H 6.376 0.030 1 1292 117 117 HIS HE1 H 7.760 0.030 1 1293 117 117 HIS C C 172.590 0.300 1 1294 117 117 HIS CA C 51.700 0.300 1 1295 117 117 HIS CB C 28.073 0.300 1 1296 117 117 HIS CD2 C 119.942 0.300 1 1297 117 117 HIS CE1 C 136.003 0.300 1 1298 117 117 HIS N N 121.104 0.300 1 1299 118 118 VAL H H 9.445 0.030 1 1300 118 118 VAL HA H 4.187 0.030 1 1301 118 118 VAL HB H 2.050 0.030 1 1302 118 118 VAL HG1 H 0.871 0.030 1 1303 118 118 VAL HG2 H 0.871 0.030 1 1304 118 118 VAL C C 172.270 0.300 1 1305 118 118 VAL CA C 60.698 0.300 1 1306 118 118 VAL CB C 30.990 0.300 1 1307 118 118 VAL CG1 C 19.912 0.300 1 1308 118 118 VAL CG2 C 19.912 0.300 1 1309 118 118 VAL N N 127.591 0.300 1 1310 119 119 ASN H H 8.704 0.030 1 1311 119 119 ASN HA H 5.267 0.030 1 1312 119 119 ASN HB2 H 2.518 0.030 2 1313 119 119 ASN HB3 H 3.280 0.030 2 1314 119 119 ASN HD21 H 7.029 0.030 2 1315 119 119 ASN HD22 H 7.639 0.030 2 1316 119 119 ASN C C 171.743 0.300 1 1317 119 119 ASN CA C 47.335 0.300 1 1318 119 119 ASN CB C 36.805 0.300 1 1319 119 119 ASN N N 125.328 0.300 1 1320 119 119 ASN ND2 N 113.352 0.300 1 1321 120 120 PRO HA H 4.152 0.030 1 1322 120 120 PRO HB2 H 1.961 0.030 2 1323 120 120 PRO HB3 H 2.414 0.030 2 1324 120 120 PRO HD2 H 3.731 0.030 2 1325 120 120 PRO HD3 H 3.946 0.030 2 1326 120 120 PRO HG2 H 2.086 0.030 2 1327 120 120 PRO HG3 H 1.960 0.030 2 1328 120 120 PRO C C 176.011 0.300 1 1329 120 120 PRO CA C 62.350 0.300 1 1330 120 120 PRO CB C 30.133 0.300 1 1331 120 120 PRO CD C 48.893 0.300 1 1332 120 120 PRO CG C 25.228 0.300 1 1333 121 121 LYS H H 7.852 0.030 1 1334 121 121 LYS HA H 4.085 0.030 1 1335 121 121 LYS HB2 H 1.815 0.030 2 1336 121 121 LYS HB3 H 1.876 0.030 2 1337 121 121 LYS HD2 H 1.615 0.030 1 1338 121 121 LYS HD3 H 1.615 0.030 1 1339 121 121 LYS HE2 H 2.894 0.030 1 1340 121 121 LYS HE3 H 2.894 0.030 1 1341 121 121 LYS HG2 H 1.376 0.030 1 1342 121 121 LYS HG3 H 1.376 0.030 1 1343 121 121 LYS C C 176.026 0.300 1 1344 121 121 LYS CA C 56.514 0.300 1 1345 121 121 LYS CB C 29.803 0.300 1 1346 121 121 LYS CD C 26.769 0.300 1 1347 121 121 LYS CE C 39.860 0.300 1 1348 121 121 LYS CG C 22.880 0.300 1 1349 121 121 LYS N N 117.130 0.300 1 1350 122 122 LYS H H 7.116 0.030 1 1351 122 122 LYS HA H 4.188 0.030 1 1352 122 122 LYS HB2 H 1.840 0.030 2 1353 122 122 LYS HB3 H 1.386 0.030 2 1354 122 122 LYS HD2 H 1.502 0.030 2 1355 122 122 LYS HD3 H 1.542 0.030 2 1356 122 122 LYS HE2 H 2.855 0.030 1 1357 122 122 LYS HE3 H 2.855 0.030 1 1358 122 122 LYS HG2 H 1.220 0.030 2 1359 122 122 LYS HG3 H 1.369 0.030 2 1360 122 122 LYS C C 173.186 0.300 1 1361 122 122 LYS CA C 53.140 0.300 1 1362 122 122 LYS CB C 30.868 0.300 1 1363 122 122 LYS CD C 26.202 0.300 1 1364 122 122 LYS CE C 39.695 0.300 1 1365 122 122 LYS CG C 22.962 0.300 1 1366 122 122 LYS N N 115.381 0.300 1 1367 123 123 GLN H H 8.002 0.030 1 1368 123 123 GLN HA H 3.615 0.030 1 1369 123 123 GLN HB2 H 2.316 0.030 2 1370 123 123 GLN HB3 H 2.046 0.030 2 1371 123 123 GLN HE21 H 6.816 0.030 2 1372 123 123 GLN HE22 H 7.750 0.030 2 1373 123 123 GLN HG2 H 2.117 0.030 2 1374 123 123 GLN HG3 H 2.160 0.030 2 1375 123 123 GLN C C 172.008 0.300 1 1376 123 123 GLN CA C 54.519 0.300 1 1377 123 123 GLN CB C 23.374 0.300 1 1378 123 123 GLN CG C 31.624 0.300 1 1379 123 123 GLN N N 113.722 0.300 1 1380 123 123 GLN NE2 N 113.296 0.300 1 1381 124 124 THR H H 7.542 0.030 1 1382 124 124 THR HA H 4.588 0.030 1 1383 124 124 THR HB H 4.128 0.030 1 1384 124 124 THR HG2 H 0.981 0.030 1 1385 124 124 THR C C 170.891 0.300 1 1386 124 124 THR CA C 57.031 0.300 1 1387 124 124 THR CB C 69.825 0.300 1 1388 124 124 THR CG2 C 19.153 0.300 1 1389 124 124 THR N N 106.553 0.300 1 1390 125 125 ILE H H 8.840 0.030 1 1391 125 125 ILE HA H 4.469 0.030 1 1392 125 125 ILE HB H 1.636 0.030 1 1393 125 125 ILE HD1 H 0.895 0.030 1 1394 125 125 ILE HG12 H 0.745 0.030 2 1395 125 125 ILE HG13 H 1.488 0.030 2 1396 125 125 ILE HG2 H 0.858 0.030 1 1397 125 125 ILE C C 172.024 0.300 1 1398 125 125 ILE CA C 58.515 0.300 1 1399 125 125 ILE CB C 38.186 0.300 1 1400 125 125 ILE CD1 C 12.625 0.300 1 1401 125 125 ILE CG1 C 25.678 0.300 1 1402 125 125 ILE CG2 C 16.695 0.300 1 1403 125 125 ILE N N 120.435 0.300 1 1404 126 126 GLY H H 9.028 0.030 1 1405 126 126 GLY HA2 H 5.046 0.030 2 1406 126 126 GLY HA3 H 3.823 0.030 2 1407 126 126 GLY C C 169.869 0.300 1 1408 126 126 GLY CA C 42.068 0.300 1 1409 126 126 GLY N N 114.299 0.300 1 1410 127 127 ASN H H 8.980 0.030 1 1411 127 127 ASN HA H 5.726 0.030 1 1412 127 127 ASN HB2 H 2.558 0.030 2 1413 127 127 ASN HB3 H 2.630 0.030 2 1414 127 127 ASN HD21 H 7.415 0.030 2 1415 127 127 ASN HD22 H 5.840 0.030 2 1416 127 127 ASN C C 171.449 0.300 1 1417 127 127 ASN CA C 49.273 0.300 1 1418 127 127 ASN CB C 38.377 0.300 1 1419 127 127 ASN N N 117.946 0.300 1 1420 127 127 ASN ND2 N 106.013 0.300 1 1421 128 128 SER H H 8.546 0.030 1 1422 128 128 SER HA H 5.275 0.030 1 1423 128 128 SER HB2 H 3.723 0.030 2 1424 128 128 SER HB3 H 3.815 0.030 2 1425 128 128 SER C C 169.956 0.300 1 1426 128 128 SER CA C 54.430 0.300 1 1427 128 128 SER CB C 63.019 0.300 1 1428 128 128 SER N N 113.678 0.300 1 1429 129 129 CYS H H 9.017 0.030 1 1430 129 129 CYS HA H 4.687 0.030 1 1431 129 129 CYS HB2 H 2.938 0.030 2 1432 129 129 CYS HB3 H 3.290 0.030 2 1433 129 129 CYS C C 175.668 0.300 1 1434 129 129 CYS CA C 56.125 0.300 1 1435 129 129 CYS CB C 32.812 0.300 1 1436 129 129 CYS N N 124.429 0.300 1 1437 130 130 LYS H H 8.913 0.030 1 1438 130 130 LYS HA H 4.073 0.030 1 1439 130 130 LYS HB2 H 1.797 0.030 1 1440 130 130 LYS HB3 H 1.797 0.030 1 1441 130 130 LYS HD2 H 1.574 0.030 1 1442 130 130 LYS HD3 H 1.574 0.030 1 1443 130 130 LYS HE2 H 2.817 0.030 1 1444 130 130 LYS HE3 H 2.817 0.030 1 1445 130 130 LYS HG2 H 1.393 0.030 1 1446 130 130 LYS HG3 H 1.393 0.030 1 1447 130 130 LYS C C 174.326 0.300 1 1448 130 130 LYS CA C 56.108 0.300 1 1449 130 130 LYS CB C 30.383 0.300 1 1450 130 130 LYS CD C 26.919 0.300 1 1451 130 130 LYS CE C 39.695 0.300 1 1452 130 130 LYS CG C 23.394 0.300 1 1453 130 130 LYS N N 128.872 0.300 1 1454 131 131 ALA H H 9.205 0.030 1 1455 131 131 ALA HA H 4.272 0.030 1 1456 131 131 ALA HB H 1.280 0.030 1 1457 131 131 ALA C C 176.594 0.300 1 1458 131 131 ALA CA C 52.270 0.300 1 1459 131 131 ALA CB C 17.743 0.300 1 1460 131 131 ALA N N 125.395 0.300 1 1461 132 132 CYS H H 9.221 0.030 1 1462 132 132 CYS HA H 4.946 0.030 1 1463 132 132 CYS HB2 H 3.195 0.030 2 1464 132 132 CYS HB3 H 2.656 0.030 2 1465 132 132 CYS C C 174.945 0.300 1 1466 132 132 CYS CA C 56.196 0.300 1 1467 132 132 CYS CB C 30.361 0.300 1 1468 132 132 CYS N N 118.163 0.300 1 1469 133 133 GLY H H 7.333 0.030 1 1470 133 133 GLY HA2 H 4.223 0.030 2 1471 133 133 GLY HA3 H 3.747 0.030 2 1472 133 133 GLY C C 171.519 0.300 1 1473 133 133 GLY CA C 43.569 0.300 1 1474 133 133 GLY N N 111.835 0.300 1 1475 134 134 TYR H H 9.057 0.030 1 1476 134 134 TYR HA H 4.110 0.030 1 1477 134 134 TYR HB2 H 3.046 0.030 2 1478 134 134 TYR HB3 H 2.702 0.030 2 1479 134 134 TYR HD1 H 6.761 0.030 1 1480 134 134 TYR HD2 H 6.761 0.030 1 1481 134 134 TYR HE1 H 6.492 0.030 1 1482 134 134 TYR HE2 H 6.492 0.030 1 1483 134 134 TYR C C 171.822 0.300 1 1484 134 134 TYR CA C 57.898 0.300 1 1485 134 134 TYR CB C 37.222 0.300 1 1486 134 134 TYR CD1 C 131.027 0.300 1 1487 134 134 TYR CD2 C 131.027 0.300 1 1488 134 134 TYR CE1 C 115.191 0.300 1 1489 134 134 TYR CE2 C 115.191 0.300 1 1490 134 134 TYR N N 126.363 0.300 1 1491 135 135 ARG H H 7.074 0.030 1 1492 135 135 ARG HA H 4.481 0.030 1 1493 135 135 ARG HB2 H 1.446 0.030 2 1494 135 135 ARG HB3 H 1.522 0.030 2 1495 135 135 ARG HD2 H 2.993 0.030 1 1496 135 135 ARG HD3 H 2.993 0.030 1 1497 135 135 ARG HG2 H 1.463 0.030 2 1498 135 135 ARG HG3 H 1.368 0.030 2 1499 135 135 ARG C C 172.394 0.300 1 1500 135 135 ARG CA C 52.558 0.300 1 1501 135 135 ARG CB C 30.710 0.300 1 1502 135 135 ARG CD C 41.128 0.300 1 1503 135 135 ARG CG C 25.069 0.300 1 1504 135 135 ARG N N 125.953 0.300 1 1505 136 136 GLY H H 8.083 0.030 1 1506 136 136 GLY HA2 H 4.110 0.030 2 1507 136 136 GLY HA3 H 3.817 0.030 2 1508 136 136 GLY C C 170.154 0.300 1 1509 136 136 GLY CA C 43.073 0.300 1 1510 136 136 GLY N N 111.343 0.300 1 1511 137 137 MET H H 8.481 0.030 1 1512 137 137 MET HA H 5.090 0.030 1 1513 137 137 MET HB2 H 1.999 0.030 2 1514 137 137 MET HB3 H 1.891 0.030 2 1515 137 137 MET HE H 2.001 0.030 1 1516 137 137 MET HG2 H 2.448 0.030 2 1517 137 137 MET HG3 H 2.603 0.030 2 1518 137 137 MET C C 174.246 0.300 1 1519 137 137 MET CA C 51.634 0.300 1 1520 137 137 MET CB C 32.139 0.300 1 1521 137 137 MET CE C 14.663 0.300 1 1522 137 137 MET CG C 29.882 0.300 1 1523 137 137 MET N N 119.200 0.300 1 1524 138 138 LEU H H 8.840 0.030 1 1525 138 138 LEU HA H 4.281 0.030 1 1526 138 138 LEU HB2 H 1.353 0.030 2 1527 138 138 LEU HB3 H 1.430 0.030 2 1528 138 138 LEU HD1 H 0.708 0.030 1 1529 138 138 LEU HD2 H 0.675 0.030 1 1530 138 138 LEU HG H 1.434 0.030 1 1531 138 138 LEU C C 174.791 0.300 1 1532 138 138 LEU CA C 52.288 0.300 1 1533 138 138 LEU CB C 40.428 0.300 1 1534 138 138 LEU CD1 C 22.927 0.300 2 1535 138 138 LEU CD2 C 21.943 0.300 2 1536 138 138 LEU CG C 25.451 0.300 1 1537 138 138 LEU N N 123.813 0.300 1 1538 139 139 ASP H H 8.318 0.030 1 1539 139 139 ASP HA H 4.524 0.030 1 1540 139 139 ASP HB2 H 2.574 0.030 1 1541 139 139 ASP HB3 H 2.574 0.030 1 1542 139 139 ASP C C 174.733 0.300 1 1543 139 139 ASP CA C 52.163 0.300 1 1544 139 139 ASP CB C 39.309 0.300 1 1545 139 139 ASP N N 122.141 0.300 1 1546 140 140 THR H H 7.926 0.030 1 1547 140 140 THR HA H 4.611 0.030 1 1548 140 140 THR HB H 4.296 0.030 1 1549 140 140 THR HG2 H 1.055 0.030 1 1550 140 140 THR C C 172.108 0.300 1 1551 140 140 THR CA C 59.715 0.300 1 1552 140 140 THR CB C 66.011 0.300 1 1553 140 140 THR CG2 C 19.093 0.300 1 1554 140 140 THR N N 113.495 0.300 1 1555 141 141 HIS H H 8.201 0.030 1 1556 141 141 HIS HA H 4.420 0.030 1 1557 141 141 HIS HB2 H 3.083 0.030 2 1558 141 141 HIS HB3 H 3.151 0.030 2 1559 141 141 HIS HD2 H 7.076 0.030 1 1560 141 141 HIS HE1 H 7.293 0.030 1 1561 141 141 HIS C C 173.598 0.300 1 1562 141 141 HIS CA C 55.311 0.300 1 1563 141 141 HIS CB C 26.771 0.300 1 1564 141 141 HIS CD2 C 117.785 0.300 1 1565 141 141 HIS CE1 C 134.693 0.300 1 1566 141 141 HIS N N 119.267 0.300 1 1567 142 142 HIS H H 7.969 0.030 1 1568 142 142 HIS HA H 4.201 0.030 1 1569 142 142 HIS HB2 H 3.307 0.030 2 1570 142 142 HIS HB3 H 3.165 0.030 2 1571 142 142 HIS HD2 H 7.239 0.030 1 1572 142 142 HIS HE1 H 8.009 0.030 1 1573 142 142 HIS C C 175.423 0.300 1 1574 142 142 HIS CA C 56.639 0.300 1 1575 142 142 HIS CB C 29.968 0.300 1 1576 142 142 HIS CD2 C 116.382 0.300 1 1577 142 142 HIS CE1 C 135.036 0.300 1 1578 142 142 HIS N N 120.806 0.300 1 1579 143 143 LYS H H 8.524 0.030 1 1580 143 143 LYS HA H 4.038 0.030 1 1581 143 143 LYS HB2 H 1.537 0.030 2 1582 143 143 LYS HB3 H 1.779 0.030 2 1583 143 143 LYS HD2 H 1.599 0.030 1 1584 143 143 LYS HD3 H 1.599 0.030 1 1585 143 143 LYS HE2 H 3.045 0.030 1 1586 143 143 LYS HE3 H 3.045 0.030 1 1587 143 143 LYS HG2 H 1.388 0.030 1 1588 143 143 LYS HG3 H 1.388 0.030 1 1589 143 143 LYS C C 175.265 0.300 1 1590 143 143 LYS CA C 57.293 0.300 1 1591 143 143 LYS CB C 30.875 0.300 1 1592 143 143 LYS CD C 26.938 0.300 1 1593 143 143 LYS CE C 39.841 0.300 1 1594 143 143 LYS CG C 23.237 0.300 1 1595 143 143 LYS N N 128.635 0.300 1 1596 144 144 LEU H H 7.248 0.030 1 1597 144 144 LEU HA H 4.050 0.030 1 1598 144 144 LEU HB2 H 1.412 0.030 2 1599 144 144 LEU HB3 H 1.844 0.030 2 1600 144 144 LEU HD1 H 0.685 0.030 1 1601 144 144 LEU HD2 H 0.066 0.030 1 1602 144 144 LEU HG H 1.349 0.030 1 1603 144 144 LEU C C 176.607 0.300 1 1604 144 144 LEU CA C 54.817 0.300 1 1605 144 144 LEU CB C 40.008 0.300 1 1606 144 144 LEU CD1 C 22.335 0.300 2 1607 144 144 LEU CD2 C 24.113 0.300 2 1608 144 144 LEU CG C 24.135 0.300 1 1609 144 144 LEU N N 119.658 0.300 1 1610 145 145 CYS H H 8.377 0.030 1 1611 145 145 CYS HA H 3.649 0.030 1 1612 145 145 CYS HB2 H 3.242 0.030 2 1613 145 145 CYS HB3 H 2.726 0.030 2 1614 145 145 CYS C C 173.568 0.300 1 1615 145 145 CYS CA C 61.130 0.300 1 1616 145 145 CYS CB C 24.010 0.300 1 1617 145 145 CYS N N 115.322 0.300 1 1618 146 146 THR H H 7.424 0.030 1 1619 146 146 THR HA H 3.804 0.030 1 1620 146 146 THR HB H 4.107 0.030 1 1621 146 146 THR HG2 H 1.196 0.030 1 1622 146 146 THR C C 173.251 0.300 1 1623 146 146 THR CA C 63.943 0.300 1 1624 146 146 THR CB C 66.401 0.300 1 1625 146 146 THR CG2 C 19.585 0.300 1 1626 146 146 THR N N 113.004 0.300 1 1627 147 147 PHE H H 6.989 0.030 1 1628 147 147 PHE HA H 4.015 0.030 1 1629 147 147 PHE HB2 H 3.129 0.030 2 1630 147 147 PHE HB3 H 3.059 0.030 2 1631 147 147 PHE HD1 H 6.893 0.030 1 1632 147 147 PHE HD2 H 6.893 0.030 1 1633 147 147 PHE HE1 H 7.375 0.030 1 1634 147 147 PHE HE2 H 7.375 0.030 1 1635 147 147 PHE HZ H 7.084 0.030 1 1636 147 147 PHE C C 175.430 0.300 1 1637 147 147 PHE CA C 59.521 0.300 1 1638 147 147 PHE CB C 36.949 0.300 1 1639 147 147 PHE CD1 C 129.312 0.300 1 1640 147 147 PHE CD2 C 129.312 0.300 1 1641 147 147 PHE CE1 C 129.367 0.300 1 1642 147 147 PHE CE2 C 129.367 0.300 1 1643 147 147 PHE CZ C 127.829 0.300 1 1644 147 147 PHE N N 121.521 0.300 1 1645 148 148 ILE H H 7.940 0.030 1 1646 148 148 ILE HA H 2.932 0.030 1 1647 148 148 ILE HB H 1.518 0.030 1 1648 148 148 ILE HD1 H 0.143 0.030 1 1649 148 148 ILE HG12 H -0.537 0.030 2 1650 148 148 ILE HG13 H 1.101 0.030 2 1651 148 148 ILE HG2 H 0.704 0.030 1 1652 148 148 ILE C C 174.533 0.300 1 1653 148 148 ILE CA C 63.260 0.300 1 1654 148 148 ILE CB C 35.539 0.300 1 1655 148 148 ILE CD1 C 11.243 0.300 1 1656 148 148 ILE CG1 C 24.440 0.300 1 1657 148 148 ILE CG2 C 14.550 0.300 1 1658 148 148 ILE N N 120.692 0.300 1 1659 149 149 LEU H H 7.589 0.030 1 1660 149 149 LEU HA H 3.590 0.030 1 1661 149 149 LEU HB2 H 1.729 0.030 2 1662 149 149 LEU HB3 H 1.235 0.030 2 1663 149 149 LEU HD1 H 0.646 0.030 1 1664 149 149 LEU HD2 H 0.556 0.030 1 1665 149 149 LEU HG H 1.493 0.030 1 1666 149 149 LEU C C 175.802 0.300 1 1667 149 149 LEU CA C 55.676 0.300 1 1668 149 149 LEU CB C 40.025 0.300 1 1669 149 149 LEU CD1 C 22.896 0.300 2 1670 149 149 LEU CD2 C 22.287 0.300 2 1671 149 149 LEU CG C 25.447 0.300 1 1672 149 149 LEU N N 115.054 0.300 1 1673 150 150 LYS H H 6.786 0.030 1 1674 150 150 LYS HA H 4.064 0.030 1 1675 150 150 LYS HB2 H 1.481 0.030 2 1676 150 150 LYS HB3 H 1.685 0.030 2 1677 150 150 LYS HD2 H 1.547 0.030 1 1678 150 150 LYS HD3 H 1.547 0.030 1 1679 150 150 LYS HE2 H 2.892 0.030 1 1680 150 150 LYS HE3 H 2.892 0.030 1 1681 150 150 LYS HG2 H 1.322 0.030 2 1682 150 150 LYS HG3 H 1.440 0.030 2 1683 150 150 LYS C C 173.415 0.300 1 1684 150 150 LYS CA C 54.038 0.300 1 1685 150 150 LYS CB C 31.413 0.300 1 1686 150 150 LYS CD C 26.424 0.300 1 1687 150 150 LYS CE C 39.860 0.300 1 1688 150 150 LYS CG C 23.019 0.300 1 1689 150 150 LYS N N 114.162 0.300 1 1690 151 151 ASN H H 7.399 0.030 1 1691 151 151 ASN HA H 4.849 0.030 1 1692 151 151 ASN HB2 H 1.916 0.030 2 1693 151 151 ASN HB3 H 2.077 0.030 2 1694 151 151 ASN HD21 H 6.126 0.030 2 1695 151 151 ASN HD22 H 6.685 0.030 2 1696 151 151 ASN C C 168.465 0.300 1 1697 151 151 ASN CA C 48.585 0.300 1 1698 151 151 ASN CB C 37.360 0.300 1 1699 151 151 ASN N N 117.751 0.300 1 1700 151 151 ASN ND2 N 118.516 0.300 1 1701 152 152 PRO HA H 4.592 0.030 1 1702 152 152 PRO HB2 H 2.030 0.030 1 1703 152 152 PRO HB3 H 2.030 0.030 1 1704 152 152 PRO HD2 H 3.390 0.030 2 1705 152 152 PRO HD3 H 3.270 0.030 2 1706 152 152 PRO HG2 H 1.853 0.030 1 1707 152 152 PRO HG3 H 1.853 0.030 1 1708 152 152 PRO CA C 59.914 0.300 1 1709 152 152 PRO CB C 28.742 0.300 1 1710 152 152 PRO CD C 47.986 0.300 1 1711 152 152 PRO CG C 24.935 0.300 1 1712 153 153 PRO HA H 4.264 0.030 1 1713 153 153 PRO HB2 H 2.132 0.030 2 1714 153 153 PRO HB3 H 1.951 0.030 2 1715 153 153 PRO HD2 H 3.503 0.030 2 1716 153 153 PRO HD3 H 3.924 0.030 2 1717 153 153 PRO HG2 H 2.084 0.030 1 1718 153 153 PRO HG3 H 2.084 0.030 1 1719 153 153 PRO C C 174.430 0.300 1 1720 153 153 PRO CA C 60.839 0.300 1 1721 153 153 PRO CB C 29.450 0.300 1 1722 153 153 PRO CD C 47.671 0.300 1 1723 153 153 PRO CG C 25.270 0.300 1 1724 154 154 GLU H H 8.568 0.030 1 1725 154 154 GLU HA H 4.159 0.030 1 1726 154 154 GLU HB2 H 1.837 0.030 2 1727 154 154 GLU HB3 H 1.945 0.030 2 1728 154 154 GLU HG2 H 2.189 0.030 1 1729 154 154 GLU HG3 H 2.189 0.030 1 1730 154 154 GLU C C 173.904 0.300 1 1731 154 154 GLU CA C 54.457 0.300 1 1732 154 154 GLU CB C 27.903 0.300 1 1733 154 154 GLU CG C 33.965 0.300 1 1734 154 154 GLU N N 120.571 0.300 1 1735 155 155 ASN H H 8.447 0.030 1 1736 155 155 ASN HA H 4.638 0.030 1 1737 155 155 ASN HB2 H 2.703 0.030 2 1738 155 155 ASN HB3 H 2.777 0.030 2 1739 155 155 ASN HD21 H 6.864 0.030 2 1740 155 155 ASN HD22 H 7.574 0.030 2 1741 155 155 ASN C C 172.705 0.300 1 1742 155 155 ASN CA C 51.086 0.300 1 1743 155 155 ASN CB C 36.513 0.300 1 1744 155 155 ASN N N 119.238 0.300 1 1745 155 155 ASN ND2 N 112.741 0.300 1 1746 156 156 SER H H 8.247 0.030 1 1747 156 156 SER HA H 4.446 0.030 1 1748 156 156 SER HB2 H 3.801 0.030 2 1749 156 156 SER HB3 H 3.763 0.030 2 1750 156 156 SER C C 171.102 0.300 1 1751 156 156 SER CA C 55.921 0.300 1 1752 156 156 SER CB C 61.726 0.300 1 1753 156 156 SER N N 116.334 0.300 1 1754 157 157 ASP H H 8.004 0.030 1 1755 157 157 ASP HA H 4.308 0.030 1 1756 157 157 ASP HB2 H 2.577 0.030 2 1757 157 157 ASP HB3 H 2.470 0.030 2 1758 157 157 ASP C C 178.567 0.300 1 1759 157 157 ASP CA C 53.742 0.300 1 1760 157 157 ASP CB C 39.826 0.300 1 1761 157 157 ASP N N 127.463 0.300 1 stop_ save_