data_11105 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The solution structure of the thioredoxin domain of human Thioredoxin-related transmembrane protein 2 ; _BMRB_accession_number 11105 _BMRB_flat_file_name bmr11105.str _Entry_type original _Submission_date 2010-02-18 _Accession_date 2010-02-22 _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 Tochio N. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 5 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" 796 "13C chemical shifts" 609 "15N chemical shifts" 139 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-02-18 original author . stop_ _Original_release_date 2011-02-18 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; The solution structure of the thioredoxin domain of human Thioredoxin-related transmembrane protein 2 ; _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 Tochio N. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 5 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 'Thioredoxin-related transmembrane protein 2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Thioredoxin domain' $entity_1 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 'Thioredoxin domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 137 _Mol_residue_sequence ; GSSGSSGYIKYFNDKTIDEE LERDKRVTWIVEFFANWSND CQSFAPIYADLSLKYNCTGL NFGKVDVGRYTDVSTRYKVS TSPLTKQLPTLILFQGGKEA MRRPQIDKKGRAVSWTFSEE NVIREFNLNELSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 TYR 9 ILE 10 LYS 11 TYR 12 PHE 13 ASN 14 ASP 15 LYS 16 THR 17 ILE 18 ASP 19 GLU 20 GLU 21 LEU 22 GLU 23 ARG 24 ASP 25 LYS 26 ARG 27 VAL 28 THR 29 TRP 30 ILE 31 VAL 32 GLU 33 PHE 34 PHE 35 ALA 36 ASN 37 TRP 38 SER 39 ASN 40 ASP 41 CYS 42 GLN 43 SER 44 PHE 45 ALA 46 PRO 47 ILE 48 TYR 49 ALA 50 ASP 51 LEU 52 SER 53 LEU 54 LYS 55 TYR 56 ASN 57 CYS 58 THR 59 GLY 60 LEU 61 ASN 62 PHE 63 GLY 64 LYS 65 VAL 66 ASP 67 VAL 68 GLY 69 ARG 70 TYR 71 THR 72 ASP 73 VAL 74 SER 75 THR 76 ARG 77 TYR 78 LYS 79 VAL 80 SER 81 THR 82 SER 83 PRO 84 LEU 85 THR 86 LYS 87 GLN 88 LEU 89 PRO 90 THR 91 LEU 92 ILE 93 LEU 94 PHE 95 GLN 96 GLY 97 GLY 98 LYS 99 GLU 100 ALA 101 MET 102 ARG 103 ARG 104 PRO 105 GLN 106 ILE 107 ASP 108 LYS 109 LYS 110 GLY 111 ARG 112 ALA 113 VAL 114 SER 115 TRP 116 THR 117 PHE 118 SER 119 GLU 120 GLU 121 ASN 122 VAL 123 ILE 124 ARG 125 GLU 126 PHE 127 ASN 128 LEU 129 ASN 130 GLU 131 LEU 132 SER 133 GLY 134 PRO 135 SER 136 SER 137 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 2DJ0 "The Solution Structure Of The Thioredoxin Domain Of Human Thioredoxin-Related Transmembrane Protein 2" 100.00 137 100.00 100.00 2.38e-95 DBJ BAC11569 "unnamed protein product [Homo sapiens]" 90.51 372 100.00 100.00 1.87e-83 DBJ BAD96778 "thioredoxin-related transmembrane protein 2 variant [Homo sapiens]" 90.51 296 99.19 100.00 7.79e-84 DBJ BAE01711 "unnamed protein product [Macaca fascicularis]" 90.51 296 98.39 99.19 1.90e-83 DBJ BAG35827 "unnamed protein product [Homo sapiens]" 90.51 296 100.00 100.00 1.63e-84 DBJ BAH12650 "unnamed protein product [Homo sapiens]" 90.51 258 100.00 100.00 5.88e-85 EMBL CAH89604 "hypothetical protein [Pongo abelii]" 90.51 296 97.58 98.39 1.16e-82 GB AAD27740 "CGI-31 protein [Homo sapiens]" 90.51 296 100.00 100.00 1.80e-84 GB AAG43122 "My009 protein [Homo sapiens]" 90.51 372 99.19 99.19 1.40e-82 GB AAH00666 "Thioredoxin-related transmembrane protein 2 [Homo sapiens]" 90.51 296 100.00 100.00 1.80e-84 GB AAH83678 "Thioredoxin-related transmembrane protein 2 [Rattus norvegicus]" 90.51 295 98.39 99.19 6.14e-83 GB AAH93062 "TMX2 protein [Homo sapiens]" 90.51 258 100.00 100.00 5.88e-85 REF NP_001007644 "thioredoxin-related transmembrane protein 2 precursor [Rattus norvegicus]" 90.51 295 98.39 99.19 6.14e-83 REF NP_001127174 "thioredoxin-related transmembrane protein 2 precursor [Pongo abelii]" 90.51 296 97.58 98.39 1.16e-82 REF NP_001137484 "thioredoxin-related transmembrane protein 2 isoform 2 [Homo sapiens]" 90.51 258 100.00 100.00 5.88e-85 REF NP_001182688 "thioredoxin-related transmembrane protein 2 [Macaca mulatta]" 90.51 296 99.19 99.19 8.50e-84 REF NP_001272093 "thioredoxin-related transmembrane protein 2 precursor [Macaca fascicularis]" 90.51 296 98.39 99.19 1.90e-83 SP Q2TBU2 "RecName: Full=Thioredoxin-related transmembrane protein 2; AltName: Full=Thioredoxin domain-containing protein 14; Flags: Precu" 90.51 296 97.58 99.19 1.51e-82 SP Q4R5B4 "RecName: Full=Thioredoxin-related transmembrane protein 2; AltName: Full=Thioredoxin domain-containing protein 14; Flags: Precu" 90.51 296 98.39 99.19 1.90e-83 SP Q5RF53 "RecName: Full=Thioredoxin-related transmembrane protein 2; AltName: Full=Thioredoxin domain-containing protein 14; Flags: Precu" 90.51 296 97.58 98.39 1.16e-82 SP Q5XIK2 "RecName: Full=Thioredoxin-related transmembrane protein 2; AltName: Full=Thioredoxin domain-containing protein 14; Flags: Precu" 90.51 295 98.39 99.19 6.14e-83 SP Q9Y320 "RecName: Full=Thioredoxin-related transmembrane protein 2; AltName: Full=Cell proliferation-inducing gene 26 protein; AltName: " 90.51 296 100.00 100.00 1.80e-84 stop_ 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' 'E. coli' Escherichia coli . P050314-13 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.4mM Thioredoxin domain [U-15N,13C]; 20mM d-Tris HCl; 100mM NaCl; 1mM d-DTT; 0.02% NaN3; 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.4 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 20031121 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 0.955 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_15N-SEPARATED_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-SEPARATED NOESY' _Sample_label $sample_1 save_ save_3D_13C-SEPARATED_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-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 298 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 15N-SEPARATED NOESY' '3D 13C-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 'Thioredoxin 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 6 6 SER HA H 4.457 0.030 1 2 6 6 SER HB2 H 3.851 0.030 1 3 6 6 SER HB3 H 3.851 0.030 1 4 6 6 SER C C 174.690 0.300 1 5 6 6 SER CA C 58.438 0.300 1 6 6 6 SER CB C 63.892 0.300 1 7 7 7 GLY H H 8.210 0.030 1 8 7 7 GLY HA2 H 3.734 0.030 2 9 7 7 GLY HA3 H 3.573 0.030 2 10 7 7 GLY C C 173.469 0.300 1 11 7 7 GLY CA C 45.096 0.300 1 12 7 7 GLY N N 109.533 0.300 1 13 8 8 TYR H H 8.067 0.030 1 14 8 8 TYR HA H 4.660 0.030 1 15 8 8 TYR HB2 H 3.032 0.030 2 16 8 8 TYR HB3 H 2.511 0.030 2 17 8 8 TYR HD1 H 7.035 0.030 1 18 8 8 TYR HD2 H 7.035 0.030 1 19 8 8 TYR HE1 H 6.795 0.030 1 20 8 8 TYR HE2 H 6.795 0.030 1 21 8 8 TYR C C 174.433 0.300 1 22 8 8 TYR CA C 56.916 0.300 1 23 8 8 TYR CB C 38.066 0.300 1 24 8 8 TYR CD1 C 132.827 0.300 1 25 8 8 TYR CD2 C 132.827 0.300 1 26 8 8 TYR CE1 C 118.259 0.300 1 27 8 8 TYR CE2 C 118.259 0.300 1 28 8 8 TYR N N 121.223 0.300 1 29 9 9 ILE H H 7.372 0.030 1 30 9 9 ILE HA H 4.227 0.030 1 31 9 9 ILE HB H 1.459 0.030 1 32 9 9 ILE HD1 H 0.638 0.030 1 33 9 9 ILE HG12 H 0.518 0.030 2 34 9 9 ILE HG13 H 1.431 0.030 2 35 9 9 ILE HG2 H 0.348 0.030 1 36 9 9 ILE C C 175.096 0.300 1 37 9 9 ILE CA C 60.322 0.300 1 38 9 9 ILE CB C 41.134 0.300 1 39 9 9 ILE CD1 C 14.656 0.300 1 40 9 9 ILE CG1 C 28.001 0.300 1 41 9 9 ILE CG2 C 19.111 0.300 1 42 9 9 ILE N N 120.072 0.300 1 43 10 10 LYS H H 8.730 0.030 1 44 10 10 LYS HA H 4.432 0.030 1 45 10 10 LYS HB2 H 1.825 0.030 2 46 10 10 LYS HB3 H 1.728 0.030 2 47 10 10 LYS HD2 H 1.759 0.030 2 48 10 10 LYS HD3 H 1.693 0.030 2 49 10 10 LYS HE2 H 3.022 0.030 2 50 10 10 LYS HE3 H 2.959 0.030 2 51 10 10 LYS HG2 H 1.108 0.030 2 52 10 10 LYS HG3 H 1.041 0.030 2 53 10 10 LYS C C 174.234 0.300 1 54 10 10 LYS CA C 55.050 0.300 1 55 10 10 LYS CB C 33.535 0.300 1 56 10 10 LYS CD C 29.209 0.300 1 57 10 10 LYS CE C 42.274 0.300 1 58 10 10 LYS CG C 25.211 0.300 1 59 10 10 LYS N N 129.320 0.300 1 60 11 11 TYR H H 8.731 0.030 1 61 11 11 TYR HA H 4.854 0.030 1 62 11 11 TYR HB2 H 2.953 0.030 2 63 11 11 TYR HB3 H 2.851 0.030 2 64 11 11 TYR HD1 H 7.239 0.030 1 65 11 11 TYR HD2 H 7.239 0.030 1 66 11 11 TYR HE1 H 6.716 0.030 1 67 11 11 TYR HE2 H 6.716 0.030 1 68 11 11 TYR C C 176.785 0.300 1 69 11 11 TYR CA C 57.298 0.300 1 70 11 11 TYR CB C 38.397 0.300 1 71 11 11 TYR CD1 C 133.123 0.300 1 72 11 11 TYR CD2 C 133.123 0.300 1 73 11 11 TYR CE1 C 117.807 0.300 1 74 11 11 TYR CE2 C 117.807 0.300 1 75 11 11 TYR N N 126.055 0.300 1 76 12 12 PHE H H 8.564 0.030 1 77 12 12 PHE HA H 4.717 0.030 1 78 12 12 PHE HB2 H 2.317 0.030 2 79 12 12 PHE HB3 H 3.209 0.030 2 80 12 12 PHE HD1 H 6.707 0.030 1 81 12 12 PHE HD2 H 6.707 0.030 1 82 12 12 PHE HE1 H 6.588 0.030 1 83 12 12 PHE HE2 H 6.588 0.030 1 84 12 12 PHE HZ H 5.489 0.030 1 85 12 12 PHE C C 174.950 0.300 1 86 12 12 PHE CA C 56.196 0.300 1 87 12 12 PHE CB C 41.955 0.300 1 88 12 12 PHE CD1 C 129.881 0.300 1 89 12 12 PHE CD2 C 129.881 0.300 1 90 12 12 PHE CE1 C 130.478 0.300 1 91 12 12 PHE CE2 C 130.478 0.300 1 92 12 12 PHE CZ C 129.292 0.300 1 93 12 12 PHE N N 122.853 0.300 1 94 13 13 ASN H H 7.726 0.030 1 95 13 13 ASN HA H 4.033 0.030 1 96 13 13 ASN HB2 H 2.683 0.030 2 97 13 13 ASN HB3 H 2.597 0.030 2 98 13 13 ASN HD21 H 7.699 0.030 2 99 13 13 ASN HD22 H 7.115 0.030 2 100 13 13 ASN C C 173.798 0.300 1 101 13 13 ASN CA C 51.481 0.300 1 102 13 13 ASN CB C 39.835 0.300 1 103 13 13 ASN N N 116.421 0.300 1 104 13 13 ASN ND2 N 114.464 0.300 1 105 14 14 ASP H H 7.256 0.030 1 106 14 14 ASP HA H 3.842 0.030 1 107 14 14 ASP HB2 H 2.744 0.030 2 108 14 14 ASP HB3 H 2.531 0.030 2 109 14 14 ASP C C 176.111 0.300 1 110 14 14 ASP CA C 56.577 0.300 1 111 14 14 ASP CB C 40.785 0.300 1 112 14 14 ASP N N 112.063 0.300 1 113 15 15 LYS H H 8.161 0.030 1 114 15 15 LYS HA H 4.396 0.030 1 115 15 15 LYS HB2 H 1.863 0.030 1 116 15 15 LYS HB3 H 1.863 0.030 1 117 15 15 LYS HD2 H 1.623 0.030 1 118 15 15 LYS HD3 H 1.623 0.030 1 119 15 15 LYS HE2 H 2.983 0.030 2 120 15 15 LYS HG2 H 1.441 0.030 2 121 15 15 LYS HG3 H 1.350 0.030 2 122 15 15 LYS C C 179.526 0.300 1 123 15 15 LYS CA C 56.710 0.300 1 124 15 15 LYS CB C 33.303 0.300 1 125 15 15 LYS CD C 28.647 0.300 1 126 15 15 LYS CE C 42.278 0.300 1 127 15 15 LYS CG C 24.674 0.300 1 128 15 15 LYS N N 116.636 0.300 1 129 16 16 THR H H 8.341 0.030 1 130 16 16 THR HA H 4.143 0.030 1 131 16 16 THR HB H 4.547 0.030 1 132 16 16 THR HG2 H 1.361 0.030 1 133 16 16 THR C C 176.646 0.300 1 134 16 16 THR CA C 63.732 0.300 1 135 16 16 THR CB C 70.289 0.300 1 136 16 16 THR CG2 C 22.798 0.300 1 137 16 16 THR N N 109.782 0.300 1 138 17 17 ILE H H 7.186 0.030 1 139 17 17 ILE HA H 2.477 0.030 1 140 17 17 ILE HB H 0.928 0.030 1 141 17 17 ILE HD1 H -0.018 0.030 1 142 17 17 ILE HG12 H 0.383 0.030 2 143 17 17 ILE HG13 H 0.091 0.030 2 144 17 17 ILE HG2 H 0.847 0.030 1 145 17 17 ILE C C 174.075 0.300 1 146 17 17 ILE CA C 64.082 0.300 1 147 17 17 ILE CB C 37.085 0.300 1 148 17 17 ILE CD1 C 14.412 0.300 1 149 17 17 ILE CG1 C 28.062 0.300 1 150 17 17 ILE CG2 C 14.384 0.300 1 151 17 17 ILE N N 118.756 0.300 1 152 18 18 ASP H H 6.513 0.030 1 153 18 18 ASP HA H 3.886 0.030 1 154 18 18 ASP HB2 H 2.557 0.030 1 155 18 18 ASP HB3 H 2.557 0.030 1 156 18 18 ASP C C 178.366 0.300 1 157 18 18 ASP CA C 56.972 0.300 1 158 18 18 ASP CB C 40.141 0.300 1 159 18 18 ASP N N 120.123 0.300 1 160 19 19 GLU H H 7.269 0.030 1 161 19 19 GLU HA H 3.803 0.030 1 162 19 19 GLU HB2 H 1.882 0.030 2 163 19 19 GLU HG2 H 2.288 0.030 2 164 19 19 GLU HG3 H 2.100 0.030 2 165 19 19 GLU C C 179.263 0.300 1 166 19 19 GLU CA C 58.734 0.300 1 167 19 19 GLU CB C 30.100 0.300 1 168 19 19 GLU CG C 36.144 0.300 1 169 19 19 GLU N N 116.476 0.300 1 170 20 20 GLU H H 8.112 0.030 1 171 20 20 GLU HA H 3.955 0.030 1 172 20 20 GLU HB2 H 1.624 0.030 2 173 20 20 GLU HB3 H 1.589 0.030 2 174 20 20 GLU HG2 H 2.249 0.030 2 175 20 20 GLU HG3 H 2.109 0.030 2 176 20 20 GLU C C 179.153 0.300 1 177 20 20 GLU CA C 58.630 0.300 1 178 20 20 GLU CB C 29.307 0.300 1 179 20 20 GLU CG C 36.068 0.300 1 180 20 20 GLU N N 118.164 0.300 1 181 21 21 LEU H H 7.252 0.030 1 182 21 21 LEU HA H 3.601 0.030 1 183 21 21 LEU HB2 H 1.429 0.030 2 184 21 21 LEU HB3 H 0.837 0.030 2 185 21 21 LEU HD1 H -0.388 0.030 1 186 21 21 LEU HD2 H -0.335 0.030 1 187 21 21 LEU HG H 0.957 0.030 1 188 21 21 LEU C C 178.936 0.300 1 189 21 21 LEU CA C 57.307 0.300 1 190 21 21 LEU CB C 41.415 0.300 1 191 21 21 LEU CD1 C 24.015 0.300 2 192 21 21 LEU CD2 C 21.732 0.300 2 193 21 21 LEU CG C 26.102 0.300 1 194 21 21 LEU N N 117.631 0.300 1 195 22 22 GLU H H 7.120 0.030 1 196 22 22 GLU HA H 4.082 0.030 1 197 22 22 GLU HB2 H 1.979 0.030 2 198 22 22 GLU HB3 H 1.905 0.030 2 199 22 22 GLU HG2 H 2.256 0.030 1 200 22 22 GLU HG3 H 2.256 0.030 1 201 22 22 GLU C C 177.382 0.300 1 202 22 22 GLU CA C 56.607 0.300 1 203 22 22 GLU CB C 30.356 0.300 1 204 22 22 GLU CG C 36.172 0.300 1 205 22 22 GLU N N 113.565 0.300 1 206 23 23 ARG H H 7.386 0.030 1 207 23 23 ARG HA H 3.932 0.030 1 208 23 23 ARG HB2 H 2.085 0.030 2 209 23 23 ARG HB3 H 1.835 0.030 2 210 23 23 ARG HD2 H 3.308 0.030 1 211 23 23 ARG HD3 H 3.308 0.030 1 212 23 23 ARG HE H 7.754 0.030 1 213 23 23 ARG HG2 H 1.707 0.030 2 214 23 23 ARG HG3 H 1.638 0.030 2 215 23 23 ARG C C 176.667 0.300 1 216 23 23 ARG CA C 59.676 0.300 1 217 23 23 ARG CB C 30.569 0.300 1 218 23 23 ARG CD C 43.170 0.300 1 219 23 23 ARG CG C 26.755 0.300 1 220 23 23 ARG N N 119.473 0.300 1 221 23 23 ARG NE N 83.349 0.300 1 222 24 24 ASP H H 7.466 0.030 1 223 24 24 ASP HA H 4.775 0.030 1 224 24 24 ASP HB2 H 3.003 0.030 2 225 24 24 ASP HB3 H 2.527 0.030 2 226 24 24 ASP C C 177.272 0.300 1 227 24 24 ASP CA C 53.490 0.300 1 228 24 24 ASP CB C 41.970 0.300 1 229 24 24 ASP N N 114.484 0.300 1 230 25 25 LYS HA H 4.308 0.030 1 231 25 25 LYS HB2 H 1.958 0.030 2 232 25 25 LYS HB3 H 1.784 0.030 2 233 25 25 LYS HE2 H 3.052 0.030 2 234 25 25 LYS HG2 H 1.564 0.030 2 235 25 25 LYS HG3 H 1.366 0.030 2 236 25 25 LYS C C 176.577 0.300 1 237 25 25 LYS CA C 57.974 0.300 1 238 25 25 LYS CB C 32.259 0.300 1 239 25 25 LYS CD C 28.981 0.300 1 240 25 25 LYS CE C 42.365 0.300 1 241 25 25 LYS CG C 25.980 0.300 1 242 26 26 ARG H H 8.644 0.030 1 243 26 26 ARG HA H 4.349 0.030 1 244 26 26 ARG HB2 H 2.027 0.030 2 245 26 26 ARG HB3 H 1.957 0.030 2 246 26 26 ARG HD2 H 3.281 0.030 2 247 26 26 ARG HD3 H 3.213 0.030 2 248 26 26 ARG HG2 H 1.710 0.030 1 249 26 26 ARG HG3 H 1.710 0.030 1 250 26 26 ARG C C 176.893 0.300 1 251 26 26 ARG CA C 56.842 0.300 1 252 26 26 ARG CB C 30.252 0.300 1 253 26 26 ARG CD C 43.375 0.300 1 254 26 26 ARG CG C 27.044 0.300 1 255 26 26 ARG N N 117.940 0.300 1 256 27 27 VAL H H 7.303 0.030 1 257 27 27 VAL HA H 4.009 0.030 1 258 27 27 VAL HB H 2.055 0.030 1 259 27 27 VAL HG1 H 0.504 0.030 1 260 27 27 VAL HG2 H 0.916 0.030 1 261 27 27 VAL C C 175.607 0.300 1 262 27 27 VAL CA C 62.310 0.300 1 263 27 27 VAL CB C 33.759 0.300 1 264 27 27 VAL CG1 C 20.625 0.300 2 265 27 27 VAL CG2 C 21.165 0.300 2 266 27 27 VAL N N 119.055 0.300 1 267 28 28 THR H H 8.291 0.030 1 268 28 28 THR HA H 4.884 0.030 1 269 28 28 THR HB H 4.223 0.030 1 270 28 28 THR HG2 H 1.289 0.030 1 271 28 28 THR C C 172.914 0.300 1 272 28 28 THR CA C 63.149 0.300 1 273 28 28 THR CB C 69.520 0.300 1 274 28 28 THR CG2 C 22.744 0.300 1 275 28 28 THR N N 124.900 0.300 1 276 29 29 TRP H H 8.679 0.030 1 277 29 29 TRP HA H 5.350 0.030 1 278 29 29 TRP HB2 H 2.934 0.030 2 279 29 29 TRP HB3 H 3.068 0.030 2 280 29 29 TRP HD1 H 7.260 0.030 1 281 29 29 TRP HE1 H 10.090 0.030 1 282 29 29 TRP HE3 H 7.292 0.030 1 283 29 29 TRP HH2 H 7.073 0.030 1 284 29 29 TRP HZ2 H 7.645 0.030 1 285 29 29 TRP HZ3 H 6.758 0.030 1 286 29 29 TRP C C 175.272 0.300 1 287 29 29 TRP CA C 56.313 0.300 1 288 29 29 TRP CB C 33.788 0.300 1 289 29 29 TRP CD1 C 126.745 0.300 1 290 29 29 TRP CE3 C 119.471 0.300 1 291 29 29 TRP CH2 C 123.909 0.300 1 292 29 29 TRP CZ2 C 115.329 0.300 1 293 29 29 TRP CZ3 C 121.781 0.300 1 294 29 29 TRP N N 126.176 0.300 1 295 29 29 TRP NE1 N 129.021 0.300 1 296 30 30 ILE H H 9.039 0.030 1 297 30 30 ILE HA H 5.285 0.030 1 298 30 30 ILE HB H 1.302 0.030 1 299 30 30 ILE HD1 H 0.362 0.030 1 300 30 30 ILE HG12 H 0.990 0.030 2 301 30 30 ILE HG13 H 1.237 0.030 2 302 30 30 ILE HG2 H 0.497 0.030 1 303 30 30 ILE C C 173.965 0.300 1 304 30 30 ILE CA C 59.753 0.300 1 305 30 30 ILE CB C 40.937 0.300 1 306 30 30 ILE CD1 C 13.902 0.300 1 307 30 30 ILE CG1 C 28.865 0.300 1 308 30 30 ILE CG2 C 15.642 0.300 1 309 30 30 ILE N N 123.601 0.300 1 310 31 31 VAL H H 9.150 0.030 1 311 31 31 VAL HA H 4.703 0.030 1 312 31 31 VAL HB H 2.198 0.030 1 313 31 31 VAL HG1 H 0.215 0.030 1 314 31 31 VAL HG2 H 1.052 0.030 1 315 31 31 VAL C C 173.765 0.300 1 316 31 31 VAL CA C 60.708 0.300 1 317 31 31 VAL CB C 35.772 0.300 1 318 31 31 VAL CG1 C 22.068 0.300 2 319 31 31 VAL CG2 C 23.231 0.300 2 320 31 31 VAL N N 124.993 0.300 1 321 32 32 GLU H H 7.956 0.030 1 322 32 32 GLU HA H 5.090 0.030 1 323 32 32 GLU HB2 H 1.897 0.030 2 324 32 32 GLU HB3 H 0.927 0.030 2 325 32 32 GLU HG2 H 1.930 0.030 2 326 32 32 GLU HG3 H 1.886 0.030 2 327 32 32 GLU C C 174.512 0.300 1 328 32 32 GLU CA C 54.526 0.300 1 329 32 32 GLU CB C 30.774 0.300 1 330 32 32 GLU CG C 34.144 0.300 1 331 32 32 GLU N N 127.866 0.300 1 332 33 33 PHE H H 9.852 0.030 1 333 33 33 PHE HA H 5.154 0.030 1 334 33 33 PHE HB2 H 3.183 0.030 2 335 33 33 PHE HB3 H 2.633 0.030 2 336 33 33 PHE HD1 H 7.112 0.030 1 337 33 33 PHE HD2 H 7.112 0.030 1 338 33 33 PHE HE1 H 6.779 0.030 1 339 33 33 PHE HE2 H 6.779 0.030 1 340 33 33 PHE HZ H 6.458 0.030 1 341 33 33 PHE C C 174.388 0.300 1 342 33 33 PHE CA C 56.546 0.300 1 343 33 33 PHE CB C 39.442 0.300 1 344 33 33 PHE CD1 C 131.655 0.300 1 345 33 33 PHE CD2 C 131.655 0.300 1 346 33 33 PHE CE1 C 131.069 0.300 1 347 33 33 PHE CE2 C 131.069 0.300 1 348 33 33 PHE CZ C 128.241 0.300 1 349 33 33 PHE N N 131.141 0.300 1 350 34 34 PHE H H 8.725 0.030 1 351 34 34 PHE HA H 5.330 0.030 1 352 34 34 PHE HB2 H 3.019 0.030 2 353 34 34 PHE HB3 H 2.770 0.030 2 354 34 34 PHE HD1 H 6.797 0.030 1 355 34 34 PHE HD2 H 6.797 0.030 1 356 34 34 PHE HE1 H 7.128 0.030 1 357 34 34 PHE HE2 H 7.128 0.030 1 358 34 34 PHE HZ H 7.504 0.030 1 359 34 34 PHE C C 171.238 0.300 1 360 34 34 PHE CA C 54.681 0.300 1 361 34 34 PHE CB C 44.621 0.300 1 362 34 34 PHE CD1 C 132.326 0.300 1 363 34 34 PHE CD2 C 132.326 0.300 1 364 34 34 PHE CE1 C 130.933 0.300 1 365 34 34 PHE CE2 C 130.933 0.300 1 366 34 34 PHE CZ C 130.131 0.300 1 367 34 34 PHE N N 119.953 0.300 1 368 35 35 ALA H H 7.223 0.030 1 369 35 35 ALA HA H 4.172 0.030 1 370 35 35 ALA HB H 0.066 0.030 1 371 35 35 ALA C C 178.491 0.300 1 372 35 35 ALA CA C 51.095 0.300 1 373 35 35 ALA CB C 21.415 0.300 1 374 35 35 ALA N N 118.000 0.300 1 375 36 36 ASN H H 9.767 0.030 1 376 36 36 ASN HA H 4.481 0.030 1 377 36 36 ASN HB2 H 2.910 0.030 2 378 36 36 ASN HB3 H 2.864 0.030 2 379 36 36 ASN HD21 H 7.776 0.030 2 380 36 36 ASN HD22 H 6.990 0.030 2 381 36 36 ASN C C 175.552 0.300 1 382 36 36 ASN CA C 55.851 0.300 1 383 36 36 ASN CB C 38.670 0.300 1 384 36 36 ASN N N 121.216 0.300 1 385 36 36 ASN ND2 N 114.199 0.300 1 386 37 37 TRP H H 6.555 0.030 1 387 37 37 TRP HA H 4.614 0.030 1 388 37 37 TRP HB2 H 3.640 0.030 2 389 37 37 TRP HB3 H 3.204 0.030 2 390 37 37 TRP HD1 H 7.295 0.030 1 391 37 37 TRP HE1 H 10.346 0.030 1 392 37 37 TRP HE3 H 7.460 0.030 1 393 37 37 TRP HH2 H 7.191 0.030 1 394 37 37 TRP HZ2 H 7.401 0.030 1 395 37 37 TRP HZ3 H 7.185 0.030 1 396 37 37 TRP C C 176.304 0.300 1 397 37 37 TRP CA C 55.167 0.300 1 398 37 37 TRP CB C 28.768 0.300 1 399 37 37 TRP CD1 C 128.734 0.300 1 400 37 37 TRP CE3 C 120.848 0.300 1 401 37 37 TRP CH2 C 125.419 0.300 1 402 37 37 TRP CZ2 C 114.448 0.300 1 403 37 37 TRP CZ3 C 122.320 0.300 1 404 37 37 TRP N N 112.272 0.300 1 405 37 37 TRP NE1 N 131.123 0.300 1 406 38 38 SER H H 6.648 0.030 1 407 38 38 SER HA H 4.785 0.030 1 408 38 38 SER HB2 H 3.388 0.030 2 409 38 38 SER HB3 H 3.658 0.030 2 410 38 38 SER C C 175.975 0.300 1 411 38 38 SER CA C 56.048 0.300 1 412 38 38 SER CB C 61.954 0.300 1 413 38 38 SER N N 115.239 0.300 1 414 39 39 ASN HA H 4.442 0.030 1 415 39 39 ASN HB2 H 2.948 0.030 1 416 39 39 ASN HB3 H 2.948 0.030 1 417 39 39 ASN HD21 H 7.773 0.030 2 418 39 39 ASN HD22 H 7.074 0.030 2 419 39 39 ASN CA C 56.919 0.300 1 420 39 39 ASN CB C 38.088 0.300 1 421 39 39 ASN ND2 N 112.916 0.300 1 422 40 40 ASP HA H 4.501 0.030 1 423 40 40 ASP HB2 H 2.741 0.030 2 424 40 40 ASP HB3 H 2.666 0.030 2 425 40 40 ASP C C 179.869 0.300 1 426 40 40 ASP CA C 57.430 0.300 1 427 40 40 ASP CB C 40.393 0.300 1 428 41 41 CYS H H 7.750 0.030 1 429 41 41 CYS HA H 4.055 0.030 1 430 41 41 CYS HB2 H 3.585 0.030 2 431 41 41 CYS HB3 H 3.069 0.030 2 432 41 41 CYS C C 177.600 0.300 1 433 41 41 CYS CA C 63.998 0.300 1 434 41 41 CYS CB C 27.628 0.300 1 435 41 41 CYS N N 118.482 0.300 1 436 42 42 GLN H H 8.290 0.030 1 437 42 42 GLN HA H 4.110 0.030 1 438 42 42 GLN HB2 H 2.315 0.030 2 439 42 42 GLN HB3 H 2.249 0.030 2 440 42 42 GLN HE21 H 7.400 0.030 2 441 42 42 GLN HE22 H 6.854 0.030 2 442 42 42 GLN HG2 H 2.599 0.030 2 443 42 42 GLN HG3 H 2.531 0.030 2 444 42 42 GLN C C 179.259 0.300 1 445 42 42 GLN CA C 59.334 0.300 1 446 42 42 GLN CB C 27.598 0.300 1 447 42 42 GLN CG C 33.202 0.300 1 448 42 42 GLN N N 123.750 0.300 1 449 42 42 GLN NE2 N 110.803 0.300 1 450 43 43 SER H H 8.320 0.030 1 451 43 43 SER HA H 4.309 0.030 1 452 43 43 SER HB2 H 4.032 0.030 1 453 43 43 SER HB3 H 4.032 0.030 1 454 43 43 SER C C 175.139 0.300 1 455 43 43 SER CA C 61.340 0.300 1 456 43 43 SER CB C 63.086 0.300 1 457 43 43 SER N N 113.834 0.300 1 458 44 44 PHE H H 7.401 0.030 1 459 44 44 PHE HA H 4.786 0.030 1 460 44 44 PHE HB2 H 3.386 0.030 2 461 44 44 PHE HB3 H 2.616 0.030 2 462 44 44 PHE HD1 H 7.381 0.030 1 463 44 44 PHE HD2 H 7.381 0.030 1 464 44 44 PHE HE1 H 6.968 0.030 1 465 44 44 PHE HE2 H 6.968 0.030 1 466 44 44 PHE HZ H 7.155 0.030 1 467 44 44 PHE C C 176.026 0.300 1 468 44 44 PHE CA C 58.450 0.300 1 469 44 44 PHE CB C 40.130 0.300 1 470 44 44 PHE CD1 C 133.102 0.300 1 471 44 44 PHE CD2 C 133.102 0.300 1 472 44 44 PHE CE1 C 130.277 0.300 1 473 44 44 PHE CE2 C 130.277 0.300 1 474 44 44 PHE CZ C 127.728 0.300 1 475 44 44 PHE N N 118.221 0.300 1 476 45 45 ALA H H 7.529 0.030 1 477 45 45 ALA HA H 3.860 0.030 1 478 45 45 ALA HB H 1.456 0.030 1 479 45 45 ALA C C 176.421 0.300 1 480 45 45 ALA CA C 57.284 0.300 1 481 45 45 ALA CB C 15.429 0.300 1 482 45 45 ALA N N 121.164 0.300 1 483 46 46 PRO HA H 4.316 0.030 1 484 46 46 PRO HB2 H 2.239 0.030 2 485 46 46 PRO HB3 H 1.888 0.030 2 486 46 46 PRO HD2 H 3.873 0.030 2 487 46 46 PRO HD3 H 3.625 0.030 2 488 46 46 PRO HG2 H 2.021 0.030 1 489 46 46 PRO HG3 H 2.021 0.030 1 490 46 46 PRO C C 179.141 0.300 1 491 46 46 PRO CA C 65.563 0.300 1 492 46 46 PRO CB C 30.978 0.300 1 493 46 46 PRO CD C 50.267 0.300 1 494 46 46 PRO CG C 28.216 0.300 1 495 47 47 ILE H H 6.749 0.030 1 496 47 47 ILE HA H 3.798 0.030 1 497 47 47 ILE HB H 1.898 0.030 1 498 47 47 ILE HD1 H 1.188 0.030 1 499 47 47 ILE HG12 H 1.716 0.030 2 500 47 47 ILE HG13 H 1.283 0.030 2 501 47 47 ILE HG2 H 0.932 0.030 1 502 47 47 ILE C C 177.922 0.300 1 503 47 47 ILE CA C 63.694 0.300 1 504 47 47 ILE CB C 37.340 0.300 1 505 47 47 ILE CD1 C 13.775 0.300 1 506 47 47 ILE CG1 C 28.536 0.300 1 507 47 47 ILE CG2 C 17.082 0.300 1 508 47 47 ILE N N 119.766 0.300 1 509 48 48 TYR H H 7.607 0.030 1 510 48 48 TYR HA H 3.844 0.030 1 511 48 48 TYR HB2 H 2.475 0.030 2 512 48 48 TYR HB3 H 2.101 0.030 2 513 48 48 TYR HD1 H 6.956 0.030 1 514 48 48 TYR HD2 H 6.956 0.030 1 515 48 48 TYR HE1 H 6.578 0.030 1 516 48 48 TYR HE2 H 6.578 0.030 1 517 48 48 TYR C C 177.647 0.300 1 518 48 48 TYR CA C 61.196 0.300 1 519 48 48 TYR CB C 37.625 0.300 1 520 48 48 TYR CD1 C 132.326 0.300 1 521 48 48 TYR CD2 C 132.326 0.300 1 522 48 48 TYR CE1 C 117.840 0.300 1 523 48 48 TYR CE2 C 117.840 0.300 1 524 48 48 TYR N N 121.124 0.300 1 525 49 49 ALA H H 7.756 0.030 1 526 49 49 ALA HA H 3.729 0.030 1 527 49 49 ALA HB H 1.284 0.030 1 528 49 49 ALA C C 180.682 0.300 1 529 49 49 ALA CA C 55.137 0.300 1 530 49 49 ALA CB C 17.504 0.300 1 531 49 49 ALA N N 118.359 0.300 1 532 50 50 ASP H H 7.673 0.030 1 533 50 50 ASP HA H 4.301 0.030 1 534 50 50 ASP HB2 H 2.842 0.030 2 535 50 50 ASP HB3 H 2.580 0.030 2 536 50 50 ASP C C 179.219 0.300 1 537 50 50 ASP CA C 57.724 0.300 1 538 50 50 ASP CB C 40.375 0.300 1 539 50 50 ASP N N 120.799 0.300 1 540 51 51 LEU H H 8.438 0.030 1 541 51 51 LEU HA H 4.023 0.030 1 542 51 51 LEU HB2 H 2.061 0.030 2 543 51 51 LEU HB3 H 1.179 0.030 2 544 51 51 LEU HD1 H 1.040 0.030 1 545 51 51 LEU HD2 H 1.087 0.030 1 546 51 51 LEU HG H 2.016 0.030 1 547 51 51 LEU C C 178.359 0.300 1 548 51 51 LEU CA C 57.959 0.300 1 549 51 51 LEU CB C 42.524 0.300 1 550 51 51 LEU CD1 C 26.527 0.300 2 551 51 51 LEU CD2 C 24.681 0.300 2 552 51 51 LEU CG C 26.484 0.300 1 553 51 51 LEU N N 120.577 0.300 1 554 52 52 SER H H 7.728 0.030 1 555 52 52 SER HA H 1.989 0.030 1 556 52 52 SER HB2 H 3.009 0.030 2 557 52 52 SER HB3 H 2.806 0.030 2 558 52 52 SER C C 175.439 0.300 1 559 52 52 SER CA C 60.587 0.300 1 560 52 52 SER CB C 61.989 0.300 1 561 52 52 SER N N 115.688 0.300 1 562 53 53 LEU H H 7.063 0.030 1 563 53 53 LEU HA H 3.771 0.030 1 564 53 53 LEU HB2 H 1.626 0.030 2 565 53 53 LEU HB3 H 1.510 0.030 2 566 53 53 LEU HD1 H 0.728 0.030 1 567 53 53 LEU HD2 H 0.562 0.030 1 568 53 53 LEU HG H 1.437 0.030 1 569 53 53 LEU C C 179.006 0.300 1 570 53 53 LEU CA C 57.412 0.300 1 571 53 53 LEU CB C 42.156 0.300 1 572 53 53 LEU CD1 C 24.740 0.300 2 573 53 53 LEU CD2 C 23.805 0.300 2 574 53 53 LEU CG C 26.919 0.300 1 575 53 53 LEU N N 122.227 0.300 1 576 54 54 LYS H H 7.414 0.030 1 577 54 54 LYS HA H 3.859 0.030 1 578 54 54 LYS HB2 H 1.272 0.030 2 579 54 54 LYS HB3 H 1.560 0.030 2 580 54 54 LYS HD2 H 1.437 0.030 1 581 54 54 LYS HD3 H 1.437 0.030 1 582 54 54 LYS HE2 H 2.790 0.030 1 583 54 54 LYS HE3 H 2.790 0.030 1 584 54 54 LYS HG2 H 0.785 0.030 2 585 54 54 LYS HG3 H 1.146 0.030 2 586 54 54 LYS C C 178.258 0.300 1 587 54 54 LYS CA C 58.514 0.300 1 588 54 54 LYS CB C 34.026 0.300 1 589 54 54 LYS CD C 29.340 0.300 1 590 54 54 LYS CE C 41.985 0.300 1 591 54 54 LYS CG C 25.427 0.300 1 592 54 54 LYS N N 117.907 0.300 1 593 55 55 TYR H H 7.995 0.030 1 594 55 55 TYR HA H 4.580 0.030 1 595 55 55 TYR HB2 H 3.337 0.030 2 596 55 55 TYR HB3 H 2.841 0.030 2 597 55 55 TYR HD1 H 7.292 0.030 1 598 55 55 TYR HD2 H 7.292 0.030 1 599 55 55 TYR HE1 H 6.689 0.030 1 600 55 55 TYR HE2 H 6.689 0.030 1 601 55 55 TYR C C 175.372 0.300 1 602 55 55 TYR CA C 59.675 0.300 1 603 55 55 TYR CB C 39.479 0.300 1 604 55 55 TYR CD1 C 133.497 0.300 1 605 55 55 TYR CD2 C 133.497 0.300 1 606 55 55 TYR CE1 C 117.662 0.300 1 607 55 55 TYR CE2 C 117.662 0.300 1 608 55 55 TYR N N 113.250 0.300 1 609 56 56 ASN H H 7.711 0.030 1 610 56 56 ASN HA H 4.868 0.030 1 611 56 56 ASN HB2 H 3.013 0.030 2 612 56 56 ASN HB3 H 2.750 0.030 2 613 56 56 ASN HD21 H 7.400 0.030 2 614 56 56 ASN HD22 H 6.703 0.030 2 615 56 56 ASN C C 175.081 0.300 1 616 56 56 ASN CA C 56.000 0.300 1 617 56 56 ASN CB C 40.033 0.300 1 618 56 56 ASN N N 119.380 0.300 1 619 56 56 ASN ND2 N 114.308 0.300 1 620 57 57 CYS H H 8.943 0.030 1 621 57 57 CYS HA H 4.810 0.030 1 622 57 57 CYS HB2 H 3.421 0.030 2 623 57 57 CYS HB3 H 3.092 0.030 2 624 57 57 CYS C C 174.375 0.300 1 625 57 57 CYS CA C 57.342 0.300 1 626 57 57 CYS CB C 29.373 0.300 1 627 57 57 CYS N N 120.408 0.300 1 628 58 58 THR H H 8.332 0.030 1 629 58 58 THR HA H 4.027 0.030 1 630 58 58 THR HB H 4.156 0.030 1 631 58 58 THR HG2 H 1.269 0.030 1 632 58 58 THR C C 175.797 0.300 1 633 58 58 THR CA C 65.304 0.300 1 634 58 58 THR CB C 69.039 0.300 1 635 58 58 THR CG2 C 22.281 0.300 1 636 59 59 GLY H H 8.294 0.030 1 637 59 59 GLY HA2 H 4.065 0.030 2 638 59 59 GLY HA3 H 3.960 0.030 2 639 59 59 GLY C C 172.924 0.300 1 640 59 59 GLY CA C 45.411 0.300 1 641 59 59 GLY N N 107.553 0.300 1 642 60 60 LEU H H 7.449 0.030 1 643 60 60 LEU HA H 4.966 0.030 1 644 60 60 LEU HB2 H 1.081 0.030 2 645 60 60 LEU HB3 H 1.852 0.030 2 646 60 60 LEU HD1 H 0.551 0.030 1 647 60 60 LEU HD2 H 0.787 0.030 1 648 60 60 LEU HG H 1.143 0.030 1 649 60 60 LEU C C 173.371 0.300 1 650 60 60 LEU CA C 54.446 0.300 1 651 60 60 LEU CB C 44.013 0.300 1 652 60 60 LEU CD1 C 23.630 0.300 2 653 60 60 LEU CD2 C 26.869 0.300 2 654 60 60 LEU CG C 27.423 0.300 1 655 60 60 LEU N N 125.194 0.300 1 656 61 61 ASN H H 8.193 0.030 1 657 61 61 ASN HA H 5.056 0.030 1 658 61 61 ASN HB2 H 1.216 0.030 2 659 61 61 ASN HB3 H 0.314 0.030 2 660 61 61 ASN HD21 H 6.432 0.030 2 661 61 61 ASN HD22 H 6.250 0.030 2 662 61 61 ASN C C 172.081 0.300 1 663 61 61 ASN CA C 50.668 0.300 1 664 61 61 ASN CB C 39.319 0.300 1 665 61 61 ASN N N 124.634 0.300 1 666 61 61 ASN ND2 N 111.029 0.300 1 667 62 62 PHE H H 8.778 0.030 1 668 62 62 PHE HA H 5.328 0.030 1 669 62 62 PHE HB2 H 3.235 0.030 2 670 62 62 PHE HB3 H 2.520 0.030 2 671 62 62 PHE HD1 H 7.020 0.030 1 672 62 62 PHE HD2 H 7.020 0.030 1 673 62 62 PHE HE1 H 6.779 0.030 1 674 62 62 PHE HE2 H 6.779 0.030 1 675 62 62 PHE HZ H 6.789 0.030 1 676 62 62 PHE C C 176.508 0.300 1 677 62 62 PHE CA C 56.901 0.300 1 678 62 62 PHE CB C 41.332 0.300 1 679 62 62 PHE CD1 C 131.986 0.300 1 680 62 62 PHE CD2 C 131.986 0.300 1 681 62 62 PHE CE1 C 130.104 0.300 1 682 62 62 PHE CE2 C 130.104 0.300 1 683 62 62 PHE CZ C 128.347 0.300 1 684 62 62 PHE N N 119.829 0.300 1 685 63 63 GLY H H 10.195 0.030 1 686 63 63 GLY HA2 H 5.809 0.030 2 687 63 63 GLY HA3 H 3.709 0.030 2 688 63 63 GLY C C 174.181 0.300 1 689 63 63 GLY CA C 44.016 0.300 1 690 63 63 GLY N N 109.619 0.300 1 691 64 64 LYS H H 8.511 0.030 1 692 64 64 LYS HA H 5.391 0.030 1 693 64 64 LYS HB2 H 1.402 0.030 2 694 64 64 LYS HB3 H 1.326 0.030 2 695 64 64 LYS HD2 H 1.371 0.030 2 696 64 64 LYS HD3 H 1.138 0.030 2 697 64 64 LYS HE2 H 2.186 0.030 2 698 64 64 LYS HE3 H 1.839 0.030 2 699 64 64 LYS HG2 H 1.332 0.030 2 700 64 64 LYS HG3 H 1.242 0.030 2 701 64 64 LYS C C 173.279 0.300 1 702 64 64 LYS CA C 56.284 0.300 1 703 64 64 LYS CB C 37.466 0.300 1 704 64 64 LYS CD C 30.720 0.300 1 705 64 64 LYS CE C 40.785 0.300 1 706 64 64 LYS CG C 25.471 0.300 1 707 64 64 LYS N N 123.464 0.300 1 708 65 65 VAL H H 9.120 0.030 1 709 65 65 VAL HA H 4.854 0.030 1 710 65 65 VAL HB H 1.694 0.030 1 711 65 65 VAL HG1 H 0.274 0.030 1 712 65 65 VAL HG2 H 0.683 0.030 1 713 65 65 VAL C C 170.953 0.300 1 714 65 65 VAL CA C 60.017 0.300 1 715 65 65 VAL CB C 35.483 0.300 1 716 65 65 VAL CG1 C 20.428 0.300 2 717 65 65 VAL CG2 C 21.491 0.300 2 718 65 65 VAL N N 120.212 0.300 1 719 66 66 ASP H H 9.194 0.030 1 720 66 66 ASP HA H 3.573 0.030 1 721 66 66 ASP HB2 H 2.967 0.030 2 722 66 66 ASP HB3 H 2.322 0.030 2 723 66 66 ASP C C 177.009 0.300 1 724 66 66 ASP CA C 51.541 0.300 1 725 66 66 ASP CB C 40.313 0.300 1 726 66 66 ASP N N 128.855 0.300 1 727 67 67 VAL H H 8.668 0.030 1 728 67 67 VAL HA H 4.198 0.030 1 729 67 67 VAL HB H 2.385 0.030 1 730 67 67 VAL HG1 H 1.154 0.030 1 731 67 67 VAL HG2 H 0.675 0.030 1 732 67 67 VAL C C 176.275 0.300 1 733 67 67 VAL CA C 62.441 0.300 1 734 67 67 VAL CB C 31.029 0.300 1 735 67 67 VAL CG1 C 24.795 0.300 2 736 67 67 VAL CG2 C 19.736 0.300 2 737 67 67 VAL N N 120.227 0.300 1 738 68 68 GLY H H 8.327 0.030 1 739 68 68 GLY HA2 H 4.097 0.030 2 740 68 68 GLY HA3 H 3.918 0.030 2 741 68 68 GLY C C 174.688 0.300 1 742 68 68 GLY CA C 46.573 0.300 1 743 68 68 GLY N N 108.048 0.300 1 744 69 69 ARG H H 7.064 0.030 1 745 69 69 ARG HA H 4.167 0.030 1 746 69 69 ARG HB2 H 1.420 0.030 2 747 69 69 ARG HB3 H 1.076 0.030 2 748 69 69 ARG HD2 H 2.962 0.030 2 749 69 69 ARG HD3 H 2.843 0.030 2 750 69 69 ARG HG2 H 1.021 0.030 2 751 69 69 ARG HG3 H 0.645 0.030 2 752 69 69 ARG C C 177.060 0.300 1 753 69 69 ARG CA C 56.592 0.300 1 754 69 69 ARG CB C 31.928 0.300 1 755 69 69 ARG CD C 43.550 0.300 1 756 69 69 ARG CG C 26.459 0.300 1 757 69 69 ARG N N 120.626 0.300 1 758 70 70 TYR H H 8.409 0.030 1 759 70 70 TYR HA H 5.056 0.030 1 760 70 70 TYR HB2 H 3.075 0.030 2 761 70 70 TYR HB3 H 2.819 0.030 2 762 70 70 TYR HD1 H 7.395 0.030 1 763 70 70 TYR HD2 H 7.395 0.030 1 764 70 70 TYR HE1 H 7.127 0.030 1 765 70 70 TYR HE2 H 7.127 0.030 1 766 70 70 TYR C C 176.876 0.300 1 767 70 70 TYR CA C 56.311 0.300 1 768 70 70 TYR CB C 36.242 0.300 1 769 70 70 TYR CD1 C 133.986 0.300 1 770 70 70 TYR CD2 C 133.986 0.300 1 771 70 70 TYR CE1 C 118.387 0.300 1 772 70 70 TYR CE2 C 118.387 0.300 1 773 70 70 TYR N N 119.788 0.300 1 774 71 71 THR H H 7.754 0.030 1 775 71 71 THR HA H 4.172 0.030 1 776 71 71 THR HB H 4.293 0.030 1 777 71 71 THR HG2 H 1.358 0.030 1 778 71 71 THR C C 177.449 0.300 1 779 71 71 THR CA C 65.502 0.300 1 780 71 71 THR CB C 68.692 0.300 1 781 71 71 THR CG2 C 22.280 0.300 1 782 71 71 THR N N 116.382 0.300 1 783 72 72 ASP H H 9.305 0.030 1 784 72 72 ASP HA H 4.660 0.030 1 785 72 72 ASP HB2 H 2.780 0.030 1 786 72 72 ASP HB3 H 2.780 0.030 1 787 72 72 ASP C C 178.807 0.300 1 788 72 72 ASP CA C 57.327 0.300 1 789 72 72 ASP CB C 40.641 0.300 1 790 72 72 ASP N N 122.111 0.300 1 791 73 73 VAL H H 7.689 0.030 1 792 73 73 VAL HA H 3.798 0.030 1 793 73 73 VAL HB H 2.555 0.030 1 794 73 73 VAL HG1 H 1.160 0.030 1 795 73 73 VAL HG2 H 1.100 0.030 1 796 73 73 VAL C C 177.691 0.300 1 797 73 73 VAL CA C 66.239 0.300 1 798 73 73 VAL CB C 31.366 0.300 1 799 73 73 VAL CG1 C 23.108 0.300 2 800 73 73 VAL CG2 C 23.975 0.300 2 801 73 73 VAL N N 119.037 0.300 1 802 74 74 SER H H 7.337 0.030 1 803 74 74 SER HA H 4.142 0.030 1 804 74 74 SER HB2 H 4.419 0.030 2 805 74 74 SER HB3 H 4.264 0.030 2 806 74 74 SER C C 177.083 0.300 1 807 74 74 SER CA C 62.069 0.300 1 808 74 74 SER CB C 62.783 0.300 1 809 74 74 SER N N 114.225 0.300 1 810 75 75 THR H H 7.710 0.030 1 811 75 75 THR HA H 4.050 0.030 1 812 75 75 THR HB H 4.303 0.030 1 813 75 75 THR HG2 H 1.253 0.030 1 814 75 75 THR C C 177.560 0.300 1 815 75 75 THR CA C 65.555 0.300 1 816 75 75 THR CB C 68.601 0.300 1 817 75 75 THR CG2 C 22.274 0.300 1 818 75 75 THR N N 115.221 0.300 1 819 76 76 ARG H H 8.190 0.030 1 820 76 76 ARG HA H 3.955 0.030 1 821 76 76 ARG HB2 H 1.859 0.030 2 822 76 76 ARG HB3 H 1.595 0.030 2 823 76 76 ARG HD2 H 3.213 0.030 2 824 76 76 ARG HD3 H 3.115 0.030 2 825 76 76 ARG HE H 7.348 0.030 1 826 76 76 ARG HG2 H 1.218 0.030 2 827 76 76 ARG HG3 H 1.678 0.030 2 828 76 76 ARG C C 177.738 0.300 1 829 76 76 ARG CA C 59.973 0.300 1 830 76 76 ARG CB C 30.700 0.300 1 831 76 76 ARG CD C 43.718 0.300 1 832 76 76 ARG CG C 27.569 0.300 1 833 76 76 ARG N N 121.762 0.300 1 834 76 76 ARG NE N 84.167 0.300 1 835 77 77 TYR H H 7.992 0.030 1 836 77 77 TYR HA H 4.284 0.030 1 837 77 77 TYR HB2 H 2.786 0.030 2 838 77 77 TYR HB3 H 2.428 0.030 2 839 77 77 TYR HD1 H 7.477 0.030 1 840 77 77 TYR HD2 H 7.477 0.030 1 841 77 77 TYR HE1 H 6.704 0.030 1 842 77 77 TYR HE2 H 6.704 0.030 1 843 77 77 TYR C C 173.482 0.300 1 844 77 77 TYR CA C 58.931 0.300 1 845 77 77 TYR CB C 37.311 0.300 1 846 77 77 TYR CD1 C 133.339 0.300 1 847 77 77 TYR CD2 C 133.339 0.300 1 848 77 77 TYR CE1 C 117.572 0.300 1 849 77 77 TYR CE2 C 117.572 0.300 1 850 77 77 TYR N N 113.619 0.300 1 851 78 78 LYS H H 7.417 0.030 1 852 78 78 LYS HA H 3.858 0.030 1 853 78 78 LYS HB2 H 1.973 0.030 2 854 78 78 LYS HB3 H 1.753 0.030 2 855 78 78 LYS HD2 H 1.650 0.030 2 856 78 78 LYS HD3 H 1.585 0.030 2 857 78 78 LYS HE2 H 2.931 0.030 2 858 78 78 LYS HG2 H 1.324 0.030 2 859 78 78 LYS HG3 H 1.228 0.030 2 860 78 78 LYS C C 175.142 0.300 1 861 78 78 LYS CA C 57.002 0.300 1 862 78 78 LYS CB C 28.692 0.300 1 863 78 78 LYS CD C 29.050 0.300 1 864 78 78 LYS CE C 42.347 0.300 1 865 78 78 LYS CG C 24.780 0.300 1 866 78 78 LYS N N 117.023 0.300 1 867 79 79 VAL H H 8.415 0.030 1 868 79 79 VAL HA H 3.933 0.030 1 869 79 79 VAL HB H 1.626 0.030 1 870 79 79 VAL HG1 H 0.740 0.030 1 871 79 79 VAL HG2 H 0.300 0.030 1 872 79 79 VAL C C 174.349 0.300 1 873 79 79 VAL CA C 61.939 0.300 1 874 79 79 VAL CB C 34.108 0.300 1 875 79 79 VAL CG1 C 21.271 0.300 2 876 79 79 VAL CG2 C 20.040 0.300 2 877 79 79 VAL N N 121.261 0.300 1 878 80 80 SER H H 7.740 0.030 1 879 80 80 SER HA H 4.377 0.030 1 880 80 80 SER HB2 H 3.946 0.030 2 881 80 80 SER HB3 H 3.800 0.030 2 882 80 80 SER C C 176.143 0.300 1 883 80 80 SER CA C 57.920 0.300 1 884 80 80 SER CB C 63.785 0.300 1 885 80 80 SER N N 120.353 0.300 1 886 81 81 THR H H 8.613 0.030 1 887 81 81 THR HA H 4.446 0.030 1 888 81 81 THR HB H 4.852 0.030 1 889 81 81 THR HG2 H 1.174 0.030 1 890 81 81 THR C C 174.386 0.300 1 891 81 81 THR CA C 60.757 0.300 1 892 81 81 THR CB C 68.538 0.300 1 893 81 81 THR CG2 C 21.802 0.300 1 894 81 81 THR N N 115.265 0.300 1 895 82 82 SER H H 8.036 0.030 1 896 82 82 SER HB2 H 3.912 0.030 2 897 82 82 SER HB3 H 4.040 0.030 2 898 82 82 SER C C 174.922 0.300 1 899 82 82 SER CA C 56.342 0.300 1 900 82 82 SER CB C 63.375 0.300 1 901 82 82 SER N N 118.189 0.300 1 902 83 83 PRO HA H 4.555 0.030 1 903 83 83 PRO HB2 H 2.394 0.030 2 904 83 83 PRO HB3 H 1.972 0.030 2 905 83 83 PRO HD2 H 3.993 0.030 2 906 83 83 PRO HD3 H 3.857 0.030 2 907 83 83 PRO HG2 H 1.957 0.030 2 908 83 83 PRO HG3 H 2.011 0.030 2 909 83 83 PRO C C 178.146 0.300 1 910 83 83 PRO CA C 64.954 0.300 1 911 83 83 PRO CB C 32.050 0.300 1 912 83 83 PRO CD C 50.994 0.300 1 913 83 83 PRO CG C 27.538 0.300 1 914 84 84 LEU H H 8.036 0.030 1 915 84 84 LEU HA H 4.317 0.030 1 916 84 84 LEU HB2 H 1.718 0.030 2 917 84 84 LEU HB3 H 1.678 0.030 2 918 84 84 LEU HD1 H 0.924 0.030 1 919 84 84 LEU HD2 H 0.882 0.030 1 920 84 84 LEU HG H 1.607 0.030 1 921 84 84 LEU C C 178.114 0.300 1 922 84 84 LEU CA C 55.827 0.300 1 923 84 84 LEU CB C 41.377 0.300 1 924 84 84 LEU CD1 C 25.029 0.300 2 925 84 84 LEU CD2 C 22.744 0.300 2 926 84 84 LEU CG C 27.302 0.300 1 927 84 84 LEU N N 115.930 0.300 1 928 85 85 THR H H 7.657 0.030 1 929 85 85 THR HA H 4.329 0.030 1 930 85 85 THR HB H 4.394 0.030 1 931 85 85 THR HG2 H 1.297 0.030 1 932 85 85 THR C C 174.551 0.300 1 933 85 85 THR CA C 62.077 0.300 1 934 85 85 THR CB C 69.911 0.300 1 935 85 85 THR CG2 C 22.225 0.300 1 936 85 85 THR N N 111.227 0.300 1 937 86 86 LYS H H 7.991 0.030 1 938 86 86 LYS HA H 4.497 0.030 1 939 86 86 LYS HB2 H 2.140 0.030 2 940 86 86 LYS HB3 H 1.813 0.030 2 941 86 86 LYS HD2 H 1.796 0.030 1 942 86 86 LYS HD3 H 1.796 0.030 1 943 86 86 LYS HE2 H 3.079 0.030 2 944 86 86 LYS HG2 H 1.518 0.030 2 945 86 86 LYS HG3 H 1.469 0.030 2 946 86 86 LYS C C 176.640 0.300 1 947 86 86 LYS CA C 56.533 0.300 1 948 86 86 LYS CB C 30.642 0.300 1 949 86 86 LYS CD C 28.935 0.300 1 950 86 86 LYS CE C 42.484 0.300 1 951 86 86 LYS CG C 24.998 0.300 1 952 86 86 LYS N N 118.678 0.300 1 953 87 87 GLN H H 8.490 0.030 1 954 87 87 GLN HA H 4.170 0.030 1 955 87 87 GLN HB2 H 2.441 0.030 2 956 87 87 GLN HB3 H 1.900 0.030 2 957 87 87 GLN HE21 H 7.183 0.030 2 958 87 87 GLN HE22 H 8.007 0.030 2 959 87 87 GLN HG2 H 2.151 0.030 2 960 87 87 GLN HG3 H 2.307 0.030 2 961 87 87 GLN C C 173.474 0.300 1 962 87 87 GLN CA C 55.787 0.300 1 963 87 87 GLN CB C 31.098 0.300 1 964 87 87 GLN CG C 36.258 0.300 1 965 87 87 GLN N N 116.393 0.300 1 966 87 87 GLN NE2 N 114.425 0.300 1 967 88 88 LEU H H 7.481 0.030 1 968 88 88 LEU HA H 4.831 0.030 1 969 88 88 LEU HB2 H 1.767 0.030 2 970 88 88 LEU HB3 H 0.669 0.030 2 971 88 88 LEU HD1 H 0.574 0.030 1 972 88 88 LEU HD2 H 0.468 0.030 1 973 88 88 LEU HG H 1.459 0.030 1 974 88 88 LEU C C 173.464 0.300 1 975 88 88 LEU CA C 50.198 0.300 1 976 88 88 LEU CB C 43.975 0.300 1 977 88 88 LEU CD1 C 27.560 0.300 2 978 88 88 LEU CD2 C 23.474 0.300 2 979 88 88 LEU CG C 25.639 0.300 1 980 88 88 LEU N N 117.621 0.300 1 981 89 89 PRO HA H 4.865 0.030 1 982 89 89 PRO HB2 H 2.572 0.030 2 983 89 89 PRO HB3 H 1.266 0.030 2 984 89 89 PRO HD2 H 3.071 0.030 2 985 89 89 PRO HD3 H 2.716 0.030 2 986 89 89 PRO HG2 H 0.040 0.030 2 987 89 89 PRO HG3 H 0.841 0.030 2 988 89 89 PRO C C 175.890 0.300 1 989 89 89 PRO CA C 63.493 0.300 1 990 89 89 PRO CB C 34.723 0.300 1 991 89 89 PRO CD C 50.031 0.300 1 992 89 89 PRO CG C 22.798 0.300 1 993 90 90 THR H H 8.017 0.030 1 994 90 90 THR HA H 5.517 0.030 1 995 90 90 THR HB H 3.936 0.030 1 996 90 90 THR HG2 H 1.035 0.030 1 997 90 90 THR C C 173.830 0.300 1 998 90 90 THR CA C 62.616 0.300 1 999 90 90 THR CB C 74.094 0.300 1 1000 90 90 THR CG2 C 22.194 0.300 1 1001 90 90 THR N N 112.440 0.300 1 1002 91 91 LEU H H 9.556 0.030 1 1003 91 91 LEU HA H 5.557 0.030 1 1004 91 91 LEU HB2 H 1.590 0.030 2 1005 91 91 LEU HB3 H 1.229 0.030 2 1006 91 91 LEU HD1 H 0.882 0.030 1 1007 91 91 LEU HD2 H 0.736 0.030 1 1008 91 91 LEU HG H 1.491 0.030 1 1009 91 91 LEU C C 175.602 0.300 1 1010 91 91 LEU CA C 53.050 0.300 1 1011 91 91 LEU CB C 47.485 0.300 1 1012 91 91 LEU CD1 C 26.713 0.300 2 1013 91 91 LEU CD2 C 24.879 0.300 2 1014 91 91 LEU CG C 27.314 0.300 1 1015 91 91 LEU N N 127.902 0.300 1 1016 92 92 ILE H H 9.030 0.030 1 1017 92 92 ILE HA H 4.662 0.030 1 1018 92 92 ILE HB H 1.671 0.030 1 1019 92 92 ILE HD1 H 0.340 0.030 1 1020 92 92 ILE HG12 H 1.513 0.030 2 1021 92 92 ILE HG13 H 0.654 0.030 2 1022 92 92 ILE HG2 H 0.074 0.030 1 1023 92 92 ILE C C 173.608 0.300 1 1024 92 92 ILE CA C 61.370 0.300 1 1025 92 92 ILE CB C 40.467 0.300 1 1026 92 92 ILE CD1 C 12.802 0.300 1 1027 92 92 ILE CG1 C 28.125 0.300 1 1028 92 92 ILE CG2 C 17.192 0.300 1 1029 92 92 ILE N N 121.180 0.300 1 1030 93 93 LEU H H 8.505 0.030 1 1031 93 93 LEU HA H 5.389 0.030 1 1032 93 93 LEU HB2 H 1.972 0.030 2 1033 93 93 LEU HB3 H 1.511 0.030 2 1034 93 93 LEU HD1 H 0.948 0.030 1 1035 93 93 LEU HD2 H 0.924 0.030 1 1036 93 93 LEU HG H 1.503 0.030 1 1037 93 93 LEU C C 174.826 0.300 1 1038 93 93 LEU CA C 53.240 0.300 1 1039 93 93 LEU CB C 46.175 0.300 1 1040 93 93 LEU CD1 C 25.469 0.300 2 1041 93 93 LEU CD2 C 26.384 0.300 2 1042 93 93 LEU CG C 27.832 0.300 1 1043 93 93 LEU N N 128.118 0.300 1 1044 94 94 PHE H H 10.340 0.030 1 1045 94 94 PHE HA H 5.258 0.030 1 1046 94 94 PHE HB2 H 3.124 0.030 2 1047 94 94 PHE HB3 H 2.789 0.030 2 1048 94 94 PHE HD1 H 6.938 0.030 1 1049 94 94 PHE HD2 H 6.938 0.030 1 1050 94 94 PHE HE1 H 7.289 0.030 1 1051 94 94 PHE HE2 H 7.289 0.030 1 1052 94 94 PHE HZ H 7.097 0.030 1 1053 94 94 PHE C C 175.570 0.300 1 1054 94 94 PHE CA C 57.413 0.300 1 1055 94 94 PHE CB C 42.053 0.300 1 1056 94 94 PHE CD1 C 132.289 0.300 1 1057 94 94 PHE CD2 C 132.289 0.300 1 1058 94 94 PHE CE1 C 130.550 0.300 1 1059 94 94 PHE CE2 C 130.550 0.300 1 1060 94 94 PHE CZ C 129.864 0.300 1 1061 94 94 PHE N N 127.668 0.300 1 1062 95 95 GLN H H 8.821 0.030 1 1063 95 95 GLN HA H 5.020 0.030 1 1064 95 95 GLN HB2 H 2.081 0.030 2 1065 95 95 GLN HB3 H 1.941 0.030 2 1066 95 95 GLN HE21 H 7.485 0.030 2 1067 95 95 GLN HE22 H 6.881 0.030 2 1068 95 95 GLN HG2 H 2.504 0.030 2 1069 95 95 GLN HG3 H 2.190 0.030 2 1070 95 95 GLN C C 177.383 0.300 1 1071 95 95 GLN CA C 55.036 0.300 1 1072 95 95 GLN CB C 32.311 0.300 1 1073 95 95 GLN CG C 34.855 0.300 1 1074 95 95 GLN N N 120.734 0.300 1 1075 95 95 GLN NE2 N 111.944 0.300 1 1076 96 96 GLY H H 9.720 0.030 1 1077 96 96 GLY HA2 H 4.219 0.030 2 1078 96 96 GLY HA3 H 4.040 0.030 2 1079 96 96 GLY C C 175.741 0.300 1 1080 96 96 GLY CA C 47.213 0.300 1 1081 96 96 GLY N N 117.096 0.300 1 1082 97 97 GLY H H 9.590 0.030 1 1083 97 97 GLY HA2 H 4.140 0.030 2 1084 97 97 GLY HA3 H 3.528 0.030 2 1085 97 97 GLY C C 172.920 0.300 1 1086 97 97 GLY CA C 45.251 0.300 1 1087 97 97 GLY N N 106.401 0.300 1 1088 98 98 LYS H H 7.693 0.030 1 1089 98 98 LYS HA H 4.920 0.030 1 1090 98 98 LYS HB2 H 1.933 0.030 2 1091 98 98 LYS HB3 H 1.863 0.030 2 1092 98 98 LYS HD2 H 1.736 0.030 1 1093 98 98 LYS HD3 H 1.736 0.030 1 1094 98 98 LYS HE2 H 3.058 0.030 2 1095 98 98 LYS HG2 H 1.469 0.030 1 1096 98 98 LYS HG3 H 1.469 0.030 1 1097 98 98 LYS C C 175.646 0.300 1 1098 98 98 LYS CA C 54.328 0.300 1 1099 98 98 LYS CB C 35.959 0.300 1 1100 98 98 LYS CD C 28.936 0.300 1 1101 98 98 LYS CE C 42.308 0.300 1 1102 98 98 LYS CG C 24.271 0.300 1 1103 98 98 LYS N N 118.226 0.300 1 1104 99 99 GLU H H 9.123 0.030 1 1105 99 99 GLU HA H 3.614 0.030 1 1106 99 99 GLU HB2 H 1.894 0.030 2 1107 99 99 GLU HB3 H 1.716 0.030 2 1108 99 99 GLU HG2 H 1.817 0.030 2 1109 99 99 GLU HG3 H 1.744 0.030 2 1110 99 99 GLU C C 175.780 0.300 1 1111 99 99 GLU CA C 57.724 0.300 1 1112 99 99 GLU CB C 28.677 0.300 1 1113 99 99 GLU CG C 35.115 0.300 1 1114 99 99 GLU N N 125.068 0.300 1 1115 100 100 ALA H H 9.692 0.030 1 1116 100 100 ALA HA H 4.614 0.030 1 1117 100 100 ALA HB H 1.433 0.030 1 1118 100 100 ALA C C 177.584 0.300 1 1119 100 100 ALA CA C 52.682 0.300 1 1120 100 100 ALA CB C 21.142 0.300 1 1121 100 100 ALA N N 132.099 0.300 1 1122 101 101 MET H H 7.559 0.030 1 1123 101 101 MET HA H 4.699 0.030 1 1124 101 101 MET HB2 H 2.172 0.030 2 1125 101 101 MET HB3 H 1.751 0.030 2 1126 101 101 MET HE H 0.714 0.030 1 1127 101 101 MET HG2 H 1.820 0.030 2 1128 101 101 MET HG3 H 2.185 0.030 2 1129 101 101 MET C C 172.788 0.300 1 1130 101 101 MET CA C 55.725 0.300 1 1131 101 101 MET CB C 34.664 0.300 1 1132 101 101 MET CE C 14.435 0.300 1 1133 101 101 MET CG C 30.789 0.300 1 1134 101 101 MET N N 111.399 0.300 1 1135 102 102 ARG H H 8.300 0.030 1 1136 102 102 ARG HA H 5.607 0.030 1 1137 102 102 ARG HB2 H 2.001 0.030 2 1138 102 102 ARG HB3 H 1.339 0.030 2 1139 102 102 ARG HD2 H 3.211 0.030 2 1140 102 102 ARG HD3 H 2.982 0.030 2 1141 102 102 ARG HE H 8.891 0.030 1 1142 102 102 ARG HG2 H 1.521 0.030 2 1143 102 102 ARG HG3 H 1.160 0.030 2 1144 102 102 ARG C C 175.339 0.300 1 1145 102 102 ARG CA C 54.548 0.300 1 1146 102 102 ARG CB C 36.744 0.300 1 1147 102 102 ARG CD C 45.206 0.300 1 1148 102 102 ARG CG C 23.269 0.300 1 1149 102 102 ARG N N 116.105 0.300 1 1150 102 102 ARG NE N 85.317 0.300 1 1151 103 103 ARG H H 8.949 0.030 1 1152 103 103 ARG HA H 4.148 0.030 1 1153 103 103 ARG HB2 H 0.942 0.030 2 1154 103 103 ARG HB3 H 0.229 0.030 2 1155 103 103 ARG HD2 H 0.961 0.030 2 1156 103 103 ARG HD3 H 2.798 0.030 2 1157 103 103 ARG HE H 6.498 0.030 1 1158 103 103 ARG HG2 H -0.697 0.030 2 1159 103 103 ARG HG3 H 0.431 0.030 2 1160 103 103 ARG C C 173.160 0.300 1 1161 103 103 ARG CA C 51.905 0.300 1 1162 103 103 ARG CB C 34.205 0.300 1 1163 103 103 ARG CD C 41.704 0.300 1 1164 103 103 ARG CG C 27.492 0.300 1 1165 103 103 ARG N N 118.604 0.300 1 1166 103 103 ARG NE N 83.359 0.300 1 1167 104 104 PRO HA H 4.369 0.030 1 1168 104 104 PRO HB2 H 2.720 0.030 2 1169 104 104 PRO HB3 H 2.331 0.030 2 1170 104 104 PRO HD2 H 4.056 0.030 2 1171 104 104 PRO HD3 H 4.422 0.030 2 1172 104 104 PRO HG2 H 1.918 0.030 2 1173 104 104 PRO HG3 H 2.333 0.030 2 1174 104 104 PRO C C 176.687 0.300 1 1175 104 104 PRO CA C 62.600 0.300 1 1176 104 104 PRO CB C 34.944 0.300 1 1177 104 104 PRO CD C 51.161 0.300 1 1178 104 104 PRO CG C 25.464 0.300 1 1179 105 105 GLN H H 9.468 0.030 1 1180 105 105 GLN HA H 4.142 0.030 1 1181 105 105 GLN HB2 H 2.006 0.030 2 1182 105 105 GLN HB3 H 1.852 0.030 2 1183 105 105 GLN HE21 H 7.484 0.030 2 1184 105 105 GLN HE22 H 6.945 0.030 2 1185 105 105 GLN HG2 H 2.337 0.030 2 1186 105 105 GLN HG3 H 2.250 0.030 2 1187 105 105 GLN C C 174.237 0.300 1 1188 105 105 GLN CA C 56.060 0.300 1 1189 105 105 GLN CB C 30.530 0.300 1 1190 105 105 GLN CG C 35.559 0.300 1 1191 105 105 GLN N N 120.582 0.300 1 1192 105 105 GLN NE2 N 112.622 0.300 1 1193 106 106 ILE H H 8.182 0.030 1 1194 106 106 ILE HA H 4.635 0.030 1 1195 106 106 ILE HB H 1.672 0.030 1 1196 106 106 ILE HD1 H 0.704 0.030 1 1197 106 106 ILE HG12 H 1.406 0.030 2 1198 106 106 ILE HG13 H 1.099 0.030 2 1199 106 106 ILE HG2 H 0.817 0.030 1 1200 106 106 ILE C C 176.900 0.300 1 1201 106 106 ILE CA C 59.003 0.300 1 1202 106 106 ILE CB C 39.015 0.300 1 1203 106 106 ILE CD1 C 11.511 0.300 1 1204 106 106 ILE CG1 C 26.481 0.300 1 1205 106 106 ILE CG2 C 17.363 0.300 1 1206 106 106 ILE N N 118.403 0.300 1 1207 107 107 ASP H H 8.867 0.030 1 1208 107 107 ASP HA H 4.587 0.030 1 1209 107 107 ASP HB2 H 2.576 0.030 2 1210 107 107 ASP HB3 H 3.318 0.030 2 1211 107 107 ASP C C 178.426 0.300 1 1212 107 107 ASP CA C 52.782 0.300 1 1213 107 107 ASP CB C 41.294 0.300 1 1214 107 107 ASP N N 127.016 0.300 1 1215 108 108 LYS H H 8.216 0.030 1 1216 108 108 LYS HA H 4.113 0.030 1 1217 108 108 LYS HB2 H 1.891 0.030 1 1218 108 108 LYS HB3 H 1.891 0.030 1 1219 108 108 LYS HD2 H 1.706 0.030 1 1220 108 108 LYS HD3 H 1.706 0.030 1 1221 108 108 LYS HE2 H 2.998 0.030 2 1222 108 108 LYS HG2 H 1.510 0.030 1 1223 108 108 LYS HG3 H 1.510 0.030 1 1224 108 108 LYS C C 177.732 0.300 1 1225 108 108 LYS CA C 58.468 0.300 1 1226 108 108 LYS CB C 32.123 0.300 1 1227 108 108 LYS CD C 29.026 0.300 1 1228 108 108 LYS CE C 42.141 0.300 1 1229 108 108 LYS CG C 25.110 0.300 1 1230 108 108 LYS N N 116.583 0.300 1 1231 109 109 LYS H H 8.209 0.030 1 1232 109 109 LYS HA H 4.419 0.030 1 1233 109 109 LYS HB2 H 2.010 0.030 2 1234 109 109 LYS HB3 H 1.823 0.030 2 1235 109 109 LYS HD2 H 1.633 0.030 2 1236 109 109 LYS HE2 H 2.971 0.030 1 1237 109 109 LYS HE3 H 2.971 0.030 1 1238 109 109 LYS HG2 H 1.427 0.030 2 1239 109 109 LYS HG3 H 1.346 0.030 2 1240 109 109 LYS C C 176.819 0.300 1 1241 109 109 LYS CA C 55.361 0.300 1 1242 109 109 LYS CB C 32.298 0.300 1 1243 109 109 LYS CD C 28.638 0.300 1 1244 109 109 LYS CE C 42.210 0.300 1 1245 109 109 LYS CG C 25.198 0.300 1 1246 109 109 LYS N N 118.645 0.300 1 1247 110 110 GLY H H 8.107 0.030 1 1248 110 110 GLY HA2 H 3.525 0.030 2 1249 110 110 GLY HA3 H 4.135 0.030 2 1250 110 110 GLY C C 174.023 0.300 1 1251 110 110 GLY CA C 45.641 0.300 1 1252 110 110 GLY N N 108.583 0.300 1 1253 111 111 ARG H H 8.428 0.030 1 1254 111 111 ARG HA H 4.411 0.030 1 1255 111 111 ARG HB2 H 1.928 0.030 2 1256 111 111 ARG HB3 H 1.813 0.030 2 1257 111 111 ARG HD2 H 3.207 0.030 2 1258 111 111 ARG HG2 H 1.581 0.030 1 1259 111 111 ARG HG3 H 1.581 0.030 1 1260 111 111 ARG C C 175.548 0.300 1 1261 111 111 ARG CA C 55.086 0.300 1 1262 111 111 ARG CB C 30.958 0.300 1 1263 111 111 ARG CD C 43.375 0.300 1 1264 111 111 ARG CG C 27.234 0.300 1 1265 111 111 ARG N N 121.963 0.300 1 1266 112 112 ALA H H 8.602 0.030 1 1267 112 112 ALA HA H 4.709 0.030 1 1268 112 112 ALA HB H 1.237 0.030 1 1269 112 112 ALA C C 178.022 0.300 1 1270 112 112 ALA CA C 52.129 0.300 1 1271 112 112 ALA CB C 19.433 0.300 1 1272 112 112 ALA N N 125.064 0.300 1 1273 113 113 VAL H H 8.727 0.030 1 1274 113 113 VAL HA H 4.060 0.030 1 1275 113 113 VAL HB H 2.069 0.030 1 1276 113 113 VAL HG1 H 1.030 0.030 1 1277 113 113 VAL HG2 H 0.931 0.030 1 1278 113 113 VAL C C 175.970 0.300 1 1279 113 113 VAL CA C 61.924 0.300 1 1280 113 113 VAL CB C 32.080 0.300 1 1281 113 113 VAL CG1 C 20.993 0.300 2 1282 113 113 VAL CG2 C 20.751 0.300 2 1283 113 113 VAL N N 126.111 0.300 1 1284 114 114 SER H H 8.418 0.030 1 1285 114 114 SER HA H 4.266 0.030 1 1286 114 114 SER HB2 H 3.915 0.030 2 1287 114 114 SER HB3 H 3.875 0.030 2 1288 114 114 SER C C 173.394 0.300 1 1289 114 114 SER CA C 60.770 0.300 1 1290 114 114 SER CB C 63.555 0.300 1 1291 114 114 SER N N 121.837 0.300 1 1292 115 115 TRP H H 8.418 0.030 1 1293 115 115 TRP HA H 4.687 0.030 1 1294 115 115 TRP HB2 H 3.368 0.030 2 1295 115 115 TRP HB3 H 2.765 0.030 2 1296 115 115 TRP HD1 H 7.438 0.030 1 1297 115 115 TRP HE1 H 10.088 0.030 1 1298 115 115 TRP HE3 H 5.678 0.030 1 1299 115 115 TRP HH2 H 6.699 0.030 1 1300 115 115 TRP HZ2 H 6.973 0.030 1 1301 115 115 TRP HZ3 H 6.031 0.030 1 1302 115 115 TRP C C 174.509 0.300 1 1303 115 115 TRP CA C 58.959 0.300 1 1304 115 115 TRP CB C 31.784 0.300 1 1305 115 115 TRP CD1 C 127.486 0.300 1 1306 115 115 TRP CH2 C 122.546 0.300 1 1307 115 115 TRP CZ2 C 112.926 0.300 1 1308 115 115 TRP CZ3 C 121.290 0.300 1 1309 115 115 TRP N N 126.886 0.300 1 1310 116 116 THR H H 7.383 0.030 1 1311 116 116 THR HA H 4.203 0.030 1 1312 116 116 THR HB H 3.416 0.030 1 1313 116 116 THR HG2 H 0.995 0.030 1 1314 116 116 THR C C 172.955 0.300 1 1315 116 116 THR CA C 62.314 0.300 1 1316 116 116 THR CB C 69.224 0.300 1 1317 116 116 THR CG2 C 21.143 0.300 1 1318 116 116 THR N N 121.540 0.300 1 1319 117 117 PHE H H 8.863 0.030 1 1320 117 117 PHE HA H 3.843 0.030 1 1321 117 117 PHE HB2 H 2.759 0.030 1 1322 117 117 PHE HB3 H 2.759 0.030 1 1323 117 117 PHE HD1 H 6.744 0.030 1 1324 117 117 PHE HD2 H 6.744 0.030 1 1325 117 117 PHE HE1 H 7.143 0.030 1 1326 117 117 PHE HE2 H 7.143 0.030 1 1327 117 117 PHE HZ H 7.312 0.030 1 1328 117 117 PHE C C 175.004 0.300 1 1329 117 117 PHE CA C 58.012 0.300 1 1330 117 117 PHE CB C 37.116 0.300 1 1331 117 117 PHE CD1 C 131.740 0.300 1 1332 117 117 PHE CD2 C 131.740 0.300 1 1333 117 117 PHE CE1 C 130.468 0.300 1 1334 117 117 PHE CE2 C 130.468 0.300 1 1335 117 117 PHE CZ C 130.495 0.300 1 1336 117 117 PHE N N 129.293 0.300 1 1337 118 118 SER H H 7.325 0.030 1 1338 118 118 SER HA H 4.794 0.030 1 1339 118 118 SER HB2 H 4.217 0.030 2 1340 118 118 SER HB3 H 3.711 0.030 2 1341 118 118 SER C C 174.138 0.300 1 1342 118 118 SER CA C 55.269 0.300 1 1343 118 118 SER CB C 66.167 0.300 1 1344 118 118 SER N N 116.291 0.300 1 1345 119 119 GLU H H 9.495 0.030 1 1346 119 119 GLU HA H 3.749 0.030 1 1347 119 119 GLU HB2 H 2.242 0.030 2 1348 119 119 GLU HB3 H 2.133 0.030 2 1349 119 119 GLU HG2 H 2.284 0.030 1 1350 119 119 GLU HG3 H 2.284 0.030 1 1351 119 119 GLU C C 177.804 0.300 1 1352 119 119 GLU CA C 61.187 0.300 1 1353 119 119 GLU CB C 30.128 0.300 1 1354 119 119 GLU CG C 36.726 0.300 1 1355 119 119 GLU N N 123.724 0.300 1 1356 120 120 GLU H H 8.856 0.030 1 1357 120 120 GLU HA H 4.009 0.030 1 1358 120 120 GLU HB2 H 2.057 0.030 2 1359 120 120 GLU HB3 H 1.921 0.030 2 1360 120 120 GLU HG2 H 2.306 0.030 1 1361 120 120 GLU HG3 H 2.306 0.030 1 1362 120 120 GLU C C 178.808 0.300 1 1363 120 120 GLU CA C 59.570 0.300 1 1364 120 120 GLU CB C 29.371 0.300 1 1365 120 120 GLU CG C 36.125 0.300 1 1366 120 120 GLU N N 115.394 0.300 1 1367 121 121 ASN H H 7.699 0.030 1 1368 121 121 ASN HA H 4.560 0.030 1 1369 121 121 ASN HB2 H 2.601 0.030 2 1370 121 121 ASN HB3 H 2.461 0.030 2 1371 121 121 ASN HD21 H 7.172 0.030 2 1372 121 121 ASN HD22 H 6.562 0.030 2 1373 121 121 ASN C C 178.134 0.300 1 1374 121 121 ASN CA C 55.475 0.300 1 1375 121 121 ASN CB C 36.824 0.300 1 1376 121 121 ASN N N 118.920 0.300 1 1377 121 121 ASN ND2 N 110.420 0.300 1 1378 122 122 VAL H H 8.258 0.030 1 1379 122 122 VAL HA H 4.186 0.030 1 1380 122 122 VAL HB H 2.361 0.030 1 1381 122 122 VAL HG1 H 0.905 0.030 1 1382 122 122 VAL HG2 H 1.383 0.030 1 1383 122 122 VAL C C 177.733 0.300 1 1384 122 122 VAL CA C 67.173 0.300 1 1385 122 122 VAL CB C 31.765 0.300 1 1386 122 122 VAL CG1 C 22.150 0.300 2 1387 122 122 VAL CG2 C 23.373 0.300 2 1388 122 122 VAL N N 120.257 0.300 1 1389 123 123 ILE H H 8.374 0.030 1 1390 123 123 ILE HA H 3.285 0.030 1 1391 123 123 ILE HB H 1.838 0.030 1 1392 123 123 ILE HD1 H 1.056 0.030 1 1393 123 123 ILE HG12 H 1.946 0.030 2 1394 123 123 ILE HG13 H 0.892 0.030 2 1395 123 123 ILE HG2 H 0.907 0.030 1 1396 123 123 ILE C C 179.054 0.300 1 1397 123 123 ILE CA C 66.807 0.300 1 1398 123 123 ILE CB C 39.144 0.300 1 1399 123 123 ILE CD1 C 15.369 0.300 1 1400 123 123 ILE CG1 C 30.532 0.300 1 1401 123 123 ILE CG2 C 17.677 0.300 1 1402 123 123 ILE N N 118.286 0.300 1 1403 124 124 ARG H H 8.173 0.030 1 1404 124 124 ARG HA H 4.195 0.030 1 1405 124 124 ARG HB2 H 2.078 0.030 2 1406 124 124 ARG HB3 H 1.995 0.030 2 1407 124 124 ARG HD2 H 3.364 0.030 1 1408 124 124 ARG HD3 H 3.364 0.030 1 1409 124 124 ARG HG2 H 1.789 0.030 2 1410 124 124 ARG HG3 H 1.513 0.030 2 1411 124 124 ARG C C 179.780 0.300 1 1412 124 124 ARG CA C 59.630 0.300 1 1413 124 124 ARG CB C 31.370 0.300 1 1414 124 124 ARG CD C 43.193 0.300 1 1415 124 124 ARG CG C 28.039 0.300 1 1416 124 124 ARG N N 116.693 0.300 1 1417 125 125 GLU H H 8.757 0.030 1 1418 125 125 GLU HA H 4.131 0.030 1 1419 125 125 GLU HB2 H 2.133 0.030 2 1420 125 125 GLU HB3 H 1.991 0.030 2 1421 125 125 GLU HG2 H 2.869 0.030 2 1422 125 125 GLU HG3 H 2.365 0.030 2 1423 125 125 GLU C C 177.388 0.300 1 1424 125 125 GLU CA C 60.561 0.300 1 1425 125 125 GLU CB C 28.387 0.300 1 1426 125 125 GLU CG C 38.329 0.300 1 1427 125 125 GLU N N 116.377 0.300 1 1428 126 126 PHE H H 8.080 0.030 1 1429 126 126 PHE HA H 4.458 0.030 1 1430 126 126 PHE HB2 H 3.230 0.030 2 1431 126 126 PHE HB3 H 3.045 0.030 2 1432 126 126 PHE HD1 H 7.448 0.030 1 1433 126 126 PHE HD2 H 7.448 0.030 1 1434 126 126 PHE HE1 H 6.779 0.030 1 1435 126 126 PHE HE2 H 6.779 0.030 1 1436 126 126 PHE HZ H 6.863 0.030 1 1437 126 126 PHE C C 173.801 0.300 1 1438 126 126 PHE CA C 58.265 0.300 1 1439 126 126 PHE CB C 36.731 0.300 1 1440 126 126 PHE CD1 C 132.441 0.300 1 1441 126 126 PHE CD2 C 132.441 0.300 1 1442 126 126 PHE CE1 C 129.629 0.300 1 1443 126 126 PHE CE2 C 129.629 0.300 1 1444 126 126 PHE CZ C 129.602 0.300 1 1445 126 126 PHE N N 113.363 0.300 1 1446 127 127 ASN H H 7.415 0.030 1 1447 127 127 ASN HA H 4.510 0.030 1 1448 127 127 ASN HB2 H 3.157 0.030 2 1449 127 127 ASN HB3 H 2.675 0.030 2 1450 127 127 ASN HD21 H 7.494 0.030 2 1451 127 127 ASN HD22 H 6.791 0.030 2 1452 127 127 ASN C C 176.326 0.300 1 1453 127 127 ASN CA C 53.902 0.300 1 1454 127 127 ASN CB C 37.169 0.300 1 1455 127 127 ASN N N 114.877 0.300 1 1456 127 127 ASN ND2 N 112.326 0.300 1 1457 128 128 LEU H H 7.877 0.030 1 1458 128 128 LEU HA H 3.690 0.030 1 1459 128 128 LEU HB2 H 1.058 0.030 2 1460 128 128 LEU HB3 H 0.493 0.030 2 1461 128 128 LEU HD1 H 0.551 0.030 1 1462 128 128 LEU HD2 H 0.585 0.030 1 1463 128 128 LEU HG H 1.586 0.030 1 1464 128 128 LEU C C 178.761 0.300 1 1465 128 128 LEU CA C 58.377 0.300 1 1466 128 128 LEU CB C 40.033 0.300 1 1467 128 128 LEU CD1 C 26.527 0.300 2 1468 128 128 LEU CD2 C 22.672 0.300 2 1469 128 128 LEU CG C 26.484 0.300 1 1470 128 128 LEU N N 113.301 0.300 1 1471 129 129 ASN H H 8.763 0.030 1 1472 129 129 ASN HA H 4.624 0.030 1 1473 129 129 ASN HB2 H 2.827 0.030 1 1474 129 129 ASN HB3 H 2.827 0.030 1 1475 129 129 ASN HD21 H 7.304 0.030 2 1476 129 129 ASN HD22 H 7.764 0.030 2 1477 129 129 ASN C C 176.976 0.300 1 1478 129 129 ASN CA C 56.151 0.300 1 1479 129 129 ASN CB C 37.691 0.300 1 1480 129 129 ASN N N 114.643 0.300 1 1481 129 129 ASN ND2 N 115.852 0.300 1 1482 130 130 GLU H H 7.806 0.030 1 1483 130 130 GLU HA H 4.256 0.030 1 1484 130 130 GLU HB2 H 2.070 0.030 1 1485 130 130 GLU HB3 H 2.070 0.030 1 1486 130 130 GLU HG2 H 2.282 0.030 1 1487 130 130 GLU HG3 H 2.282 0.030 1 1488 130 130 GLU C C 178.511 0.300 1 1489 130 130 GLU CA C 58.271 0.300 1 1490 130 130 GLU CB C 29.801 0.300 1 1491 130 130 GLU CG C 36.730 0.300 1 1492 130 130 GLU N N 119.299 0.300 1 1493 131 131 LEU H H 7.809 0.030 1 1494 131 131 LEU HA H 4.267 0.030 1 1495 131 131 LEU HB2 H 1.743 0.030 2 1496 131 131 LEU HB3 H 1.515 0.030 2 1497 131 131 LEU HD1 H 0.971 0.030 1 1498 131 131 LEU HD2 H 0.924 0.030 1 1499 131 131 LEU HG H 1.910 0.030 1 1500 131 131 LEU C C 177.451 0.300 1 1501 131 131 LEU CA C 56.326 0.300 1 1502 131 131 LEU CB C 43.477 0.300 1 1503 131 131 LEU CD1 C 26.788 0.300 2 1504 131 131 LEU CD2 C 23.005 0.300 2 1505 131 131 LEU CG C 26.820 0.300 1 1506 131 131 LEU N N 118.384 0.300 1 1507 132 132 SER H H 7.697 0.030 1 1508 132 132 SER HA H 4.649 0.030 1 1509 132 132 SER HB2 H 4.232 0.030 2 1510 132 132 SER HB3 H 4.048 0.030 2 1511 132 132 SER C C 174.449 0.300 1 1512 132 132 SER CA C 58.283 0.300 1 1513 132 132 SER CB C 64.499 0.300 1 1514 132 132 SER N N 111.861 0.300 1 1515 133 133 GLY H H 7.754 0.030 1 1516 133 133 GLY HA2 H 4.292 0.030 2 1517 133 133 GLY HA3 H 4.111 0.030 2 1518 133 133 GLY C C 171.905 0.300 1 1519 133 133 GLY CA C 45.165 0.300 1 1520 133 133 GLY N N 110.548 0.300 1 1521 134 134 PRO HA H 4.525 0.030 1 1522 134 134 PRO HB2 H 2.316 0.030 2 1523 134 134 PRO HB3 H 1.989 0.030 2 1524 134 134 PRO HD2 H 3.679 0.030 1 1525 134 134 PRO HD3 H 3.679 0.030 1 1526 134 134 PRO HG2 H 2.043 0.030 1 1527 134 134 PRO HG3 H 2.043 0.030 1 1528 134 134 PRO C C 177.585 0.300 1 1529 134 134 PRO CA C 63.330 0.300 1 1530 134 134 PRO CB C 32.229 0.300 1 1531 134 134 PRO CD C 50.025 0.300 1 1532 134 134 PRO CG C 27.268 0.300 1 1533 135 135 SER H H 8.531 0.030 1 1534 135 135 SER HA H 4.522 0.030 1 1535 135 135 SER HB2 H 3.907 0.030 2 1536 135 135 SER C C 174.810 0.300 1 1537 135 135 SER CA C 58.473 0.300 1 1538 135 135 SER CB C 64.038 0.300 1 1539 135 135 SER N N 116.405 0.300 1 1540 136 136 SER H H 8.374 0.030 1 1541 136 136 SER C C 173.991 0.300 1 1542 136 136 SER CA C 58.488 0.300 1 1543 136 136 SER CB C 64.091 0.300 1 1544 136 136 SER N N 118.062 0.300 1 stop_ save_