data_11516 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; THE SOLUTION STRUCTURE OF THE C-TERMINAL DOMAIN OF HUMAN ACTIVATOR OF 90 KDA HEAT SHOCK PROTEIN ATPASE HOMOLOG 1 ; _BMRB_accession_number 11516 _BMRB_flat_file_name bmr11516.str _Entry_type original _Submission_date 2012-11-19 _Accession_date 2012-11-22 _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 Naoya . . 2 Koshiba Seizo . . 3 Inoue Makoto . . 4 Kigawa Takanori . . 5 Yokoyama Shigeyuki . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 825 "13C chemical shifts" 639 "15N chemical shifts" 138 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-12-10 original author . stop_ _Original_release_date 2012-12-10 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'THE SOLUTION STRUCTURE OF THE C-TERMINAL DOMAIN OF HUMAN ACTIVATOR OF 90 KDA HEAT SHOCK PROTEIN ATPASE HOMOLOG 1' _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 Naoya . . 2 Koshiba Seizo . . 3 Kigawa Takanori . . 4 Yokoyama Shigeyuki . . stop_ _Journal_abbreviation 'Not known' _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 'AHA1 C-terminal domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'AHA1 C-terminal domain' $protein 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_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common protein _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 145 _Mol_residue_sequence ; GSSGSSGIPTCKITLKETFL TSPEELYRVFTTQELVQAFT HAPATLEADRGGKFHMVDGN VSGEFTDLVPEKHIVMKWRF KSWPEGHFATITLTFIDKNG ETELCMEGRGIPAPEEERTR QGWQRYYFEGIKQTFGYGAS GPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ILE 9 PRO 10 THR 11 CYS 12 LYS 13 ILE 14 THR 15 LEU 16 LYS 17 GLU 18 THR 19 PHE 20 LEU 21 THR 22 SER 23 PRO 24 GLU 25 GLU 26 LEU 27 TYR 28 ARG 29 VAL 30 PHE 31 THR 32 THR 33 GLN 34 GLU 35 LEU 36 VAL 37 GLN 38 ALA 39 PHE 40 THR 41 HIS 42 ALA 43 PRO 44 ALA 45 THR 46 LEU 47 GLU 48 ALA 49 ASP 50 ARG 51 GLY 52 GLY 53 LYS 54 PHE 55 HIS 56 MET 57 VAL 58 ASP 59 GLY 60 ASN 61 VAL 62 SER 63 GLY 64 GLU 65 PHE 66 THR 67 ASP 68 LEU 69 VAL 70 PRO 71 GLU 72 LYS 73 HIS 74 ILE 75 VAL 76 MET 77 LYS 78 TRP 79 ARG 80 PHE 81 LYS 82 SER 83 TRP 84 PRO 85 GLU 86 GLY 87 HIS 88 PHE 89 ALA 90 THR 91 ILE 92 THR 93 LEU 94 THR 95 PHE 96 ILE 97 ASP 98 LYS 99 ASN 100 GLY 101 GLU 102 THR 103 GLU 104 LEU 105 CYS 106 MET 107 GLU 108 GLY 109 ARG 110 GLY 111 ILE 112 PRO 113 ALA 114 PRO 115 GLU 116 GLU 117 GLU 118 ARG 119 THR 120 ARG 121 GLN 122 GLY 123 TRP 124 GLN 125 ARG 126 TYR 127 TYR 128 PHE 129 GLU 130 GLY 131 ILE 132 LYS 133 GLN 134 THR 135 PHE 136 GLY 137 TYR 138 GLY 139 ALA 140 SER 141 GLY 142 PRO 143 SER 144 SER 145 GLY 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 1X53 "The Solution Structure Of The C-Terminal Domain Of Human Activator Of 90 Kda Heat Shock Protein Atpase Homolog 1" 100.00 145 100.00 100.00 1.30e-101 DBJ BAC36160 "unnamed protein product [Mus musculus]" 91.03 338 97.73 98.48 6.39e-90 DBJ BAE38913 "unnamed protein product [Mus musculus]" 91.03 338 97.73 98.48 1.27e-89 DBJ BAG36559 "unnamed protein product [Homo sapiens]" 91.03 338 100.00 100.00 1.70e-91 DBJ BAG62431 "unnamed protein product [Homo sapiens]" 54.48 288 100.00 100.00 1.86e-48 EMBL CAB45684 "C14orf3 protein [Homo sapiens]" 91.03 338 100.00 100.00 1.70e-91 EMBL CAH92050 "hypothetical protein [Pongo abelii]" 91.03 338 100.00 100.00 1.76e-91 GB AAD09623 "unknown [Homo sapiens]" 91.03 338 100.00 100.00 1.70e-91 GB AAF29000 "HSPC322 [Homo sapiens]" 91.03 272 100.00 100.00 4.04e-92 GB AAF80755 "putative 38.3kDa protein [Homo sapiens]" 91.03 338 100.00 100.00 1.70e-91 GB AAH00321 "AHA1, activator of heat shock 90kDa protein ATPase homolog 1 (yeast) [Homo sapiens]" 91.03 338 100.00 100.00 1.70e-91 GB AAH07398 "AHSA1 protein, partial [Homo sapiens]" 91.03 262 100.00 100.00 3.41e-92 REF NP_001108506 "activator of 90 kDa heat shock protein ATPase homolog 1 [Rattus norvegicus]" 91.03 338 97.73 98.48 1.40e-89 REF NP_001127499 "activator of 90 kDa heat shock protein ATPase homolog 1 [Pongo abelii]" 91.03 338 100.00 100.00 1.76e-91 REF NP_001253813 "activator of 90 kDa heat shock protein ATPase homolog 1 [Macaca mulatta]" 91.03 338 100.00 100.00 1.70e-91 REF NP_036243 "activator of 90 kDa heat shock protein ATPase homolog 1 [Homo sapiens]" 91.03 338 100.00 100.00 1.70e-91 REF NP_666148 "activator of 90 kDa heat shock protein ATPase homolog 1 [Mus musculus]" 91.03 338 97.73 98.48 1.01e-89 SP O95433 "RecName: Full=Activator of 90 kDa heat shock protein ATPase homolog 1; Short=AHA1; AltName: Full=p38" 91.03 338 100.00 100.00 1.70e-91 SP Q8BK64 "RecName: Full=Activator of 90 kDa heat shock protein ATPase homolog 1; Short=AHA1" 91.03 338 97.73 98.48 1.01e-89 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $protein 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 $protein 'recombinant technology' 'E. coli' Escherichia coli . P040524-05 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $protein 1.3 mM '[U-13C; U-15N]' TRIS 20 mM [U-2H] 'sodium chloride' 100 mM 'natural abundance' DTT 1 mM [U-2H] 'sodium azide' 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_KUJIRA _Saveframe_category software _Name Kujira _Version . loop_ _Vendor _Address _Electronic_address 'N. Kobayashi' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . 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_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 . mM pH 7.0 . pH pressure 1 . atm temperature 296 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 4.792 internal indirect . . . 0.251449530 water H 1 protons ppm 4.792 internal direct . . . 1 water N 15 protons ppm 4.792 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'AHA1 C-terminal 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 3.989 0.030 2 2 7 7 GLY HA3 H 3.959 0.030 2 3 7 7 GLY C C 173.884 0.300 1 4 7 7 GLY CA C 45.135 0.300 1 5 8 8 ILE H H 7.896 0.030 1 6 8 8 ILE HA H 4.459 0.030 1 7 8 8 ILE HB H 1.764 0.030 1 8 8 8 ILE HD1 H 0.446 0.030 1 9 8 8 ILE HG12 H 1.300 0.030 2 10 8 8 ILE HG13 H 1.001 0.030 2 11 8 8 ILE HG2 H 0.715 0.030 1 12 8 8 ILE C C 173.971 0.300 1 13 8 8 ILE CA C 58.699 0.300 1 14 8 8 ILE CB C 38.750 0.300 1 15 8 8 ILE CD1 C 12.812 0.300 1 16 8 8 ILE CG1 C 26.263 0.300 1 17 8 8 ILE CG2 C 16.842 0.300 1 18 8 8 ILE N N 119.863 0.300 1 19 9 9 PRO HA H 4.559 0.030 1 20 9 9 PRO HB2 H 2.328 0.030 2 21 9 9 PRO HB3 H 1.859 0.030 2 22 9 9 PRO HD2 H 3.864 0.030 2 23 9 9 PRO HD3 H 3.706 0.030 2 24 9 9 PRO HG2 H 2.074 0.030 2 25 9 9 PRO HG3 H 2.002 0.030 2 26 9 9 PRO C C 177.974 0.300 1 27 9 9 PRO CA C 63.053 0.300 1 28 9 9 PRO CB C 31.982 0.300 1 29 9 9 PRO CD C 50.883 0.300 1 30 9 9 PRO CG C 27.840 0.300 1 31 10 10 THR H H 8.511 0.030 1 32 10 10 THR HA H 5.182 0.030 1 33 10 10 THR HB H 3.950 0.030 1 34 10 10 THR HG2 H 1.007 0.030 1 35 10 10 THR C C 173.616 0.300 1 36 10 10 THR CA C 59.698 0.300 1 37 10 10 THR CB C 73.483 0.300 1 38 10 10 THR CG2 C 20.939 0.300 1 39 10 10 THR N N 112.724 0.300 1 40 11 11 CYS H H 9.333 0.030 1 41 11 11 CYS HA H 5.119 0.030 1 42 11 11 CYS HB2 H 3.001 0.030 2 43 11 11 CYS HB3 H 2.940 0.030 2 44 11 11 CYS C C 171.185 0.300 1 45 11 11 CYS CA C 55.624 0.300 1 46 11 11 CYS CB C 32.732 0.300 1 47 11 11 CYS N N 116.619 0.300 1 48 12 12 LYS H H 8.067 0.030 1 49 12 12 LYS HA H 5.430 0.030 1 50 12 12 LYS HB2 H 1.843 0.030 2 51 12 12 LYS HB3 H 1.761 0.030 2 52 12 12 LYS HD2 H 1.616 0.030 1 53 12 12 LYS HD3 H 1.616 0.030 1 54 12 12 LYS HE2 H 2.889 0.030 2 55 12 12 LYS HG2 H 1.504 0.030 2 56 12 12 LYS HG3 H 1.347 0.030 2 57 12 12 LYS C C 176.370 0.300 1 58 12 12 LYS CA C 54.063 0.300 1 59 12 12 LYS CB C 35.665 0.300 1 60 12 12 LYS CD C 29.630 0.300 1 61 12 12 LYS CE C 41.993 0.300 1 62 12 12 LYS CG C 24.686 0.300 1 63 12 12 LYS N N 117.908 0.300 1 64 13 13 ILE H H 8.574 0.030 1 65 13 13 ILE HA H 4.607 0.030 1 66 13 13 ILE HB H 1.501 0.030 1 67 13 13 ILE HD1 H 0.587 0.030 1 68 13 13 ILE HG12 H 1.214 0.030 2 69 13 13 ILE HG13 H 0.847 0.030 2 70 13 13 ILE HG2 H 0.791 0.030 1 71 13 13 ILE CA C 59.910 0.300 1 72 13 13 ILE CB C 43.033 0.300 1 73 13 13 ILE CD1 C 14.616 0.300 1 74 13 13 ILE CG1 C 25.469 0.300 1 75 13 13 ILE CG2 C 17.362 0.300 1 76 13 13 ILE N N 116.899 0.300 1 77 14 14 THR H H 8.259 0.030 1 78 14 14 THR HA H 5.280 0.030 1 79 14 14 THR HB H 3.967 0.030 1 80 14 14 THR HG2 H 1.120 0.030 1 81 14 14 THR C C 173.455 0.300 1 82 14 14 THR CA C 60.894 0.300 1 83 14 14 THR CB C 71.422 0.300 1 84 14 14 THR CG2 C 21.681 0.300 1 85 14 14 THR N N 118.656 0.300 1 86 15 15 LEU H H 9.103 0.030 1 87 15 15 LEU HA H 4.832 0.030 1 88 15 15 LEU HB2 H 1.665 0.030 1 89 15 15 LEU HB3 H 1.665 0.030 1 90 15 15 LEU HD1 H 0.919 0.030 1 91 15 15 LEU HD2 H 1.021 0.030 1 92 15 15 LEU HG H 1.531 0.030 1 93 15 15 LEU C C 174.876 0.300 1 94 15 15 LEU CA C 54.095 0.300 1 95 15 15 LEU CB C 47.094 0.300 1 96 15 15 LEU CD1 C 26.458 0.300 2 97 15 15 LEU CD2 C 24.241 0.300 2 98 15 15 LEU CG C 27.485 0.300 1 99 15 15 LEU N N 125.833 0.300 1 100 16 16 LYS H H 8.472 0.030 1 101 16 16 LYS HA H 5.455 0.030 1 102 16 16 LYS HB2 H 1.617 0.030 1 103 16 16 LYS HB3 H 1.617 0.030 1 104 16 16 LYS HD2 H 1.527 0.030 1 105 16 16 LYS HD3 H 1.527 0.030 1 106 16 16 LYS HE2 H 2.812 0.030 2 107 16 16 LYS HG2 H 1.309 0.030 2 108 16 16 LYS HG3 H 1.233 0.030 2 109 16 16 LYS C C 174.976 0.300 1 110 16 16 LYS CA C 55.368 0.300 1 111 16 16 LYS CB C 35.933 0.300 1 112 16 16 LYS CD C 29.522 0.300 1 113 16 16 LYS CE C 42.019 0.300 1 114 16 16 LYS CG C 24.894 0.300 1 115 16 16 LYS N N 120.953 0.300 1 116 17 17 GLU H H 8.553 0.030 1 117 17 17 GLU HA H 4.454 0.030 1 118 17 17 GLU HB2 H 1.474 0.030 2 119 17 17 GLU HB3 H 1.084 0.030 2 120 17 17 GLU HG2 H 1.594 0.030 2 121 17 17 GLU HG3 H 1.415 0.030 2 122 17 17 GLU C C 173.812 0.300 1 123 17 17 GLU CA C 54.930 0.300 1 124 17 17 GLU CB C 34.100 0.300 1 125 17 17 GLU CG C 36.308 0.300 1 126 17 17 GLU N N 124.189 0.300 1 127 18 18 THR H H 8.791 0.030 1 128 18 18 THR HA H 5.124 0.030 1 129 18 18 THR HB H 3.817 0.030 1 130 18 18 THR HG2 H 1.030 0.030 1 131 18 18 THR C C 173.373 0.300 1 132 18 18 THR CA C 62.095 0.300 1 133 18 18 THR CB C 70.121 0.300 1 134 18 18 THR CG2 C 22.147 0.300 1 135 18 18 THR N N 120.431 0.300 1 136 19 19 PHE H H 9.390 0.030 1 137 19 19 PHE HA H 4.828 0.030 1 138 19 19 PHE HB2 H 2.698 0.030 1 139 19 19 PHE HB3 H 2.698 0.030 1 140 19 19 PHE HD1 H 7.121 0.030 1 141 19 19 PHE HD2 H 7.121 0.030 1 142 19 19 PHE HE1 H 7.162 0.030 1 143 19 19 PHE HE2 H 7.162 0.030 1 144 19 19 PHE HZ H 6.965 0.030 1 145 19 19 PHE C C 175.196 0.300 1 146 19 19 PHE CA C 56.258 0.300 1 147 19 19 PHE CB C 43.904 0.300 1 148 19 19 PHE CD1 C 132.451 0.300 1 149 19 19 PHE CD2 C 132.451 0.300 1 150 19 19 PHE CE1 C 131.251 0.300 1 151 19 19 PHE CE2 C 131.251 0.300 1 152 19 19 PHE CZ C 128.301 0.300 1 153 19 19 PHE N N 122.855 0.300 1 154 20 20 LEU H H 8.983 0.030 1 155 20 20 LEU HA H 4.608 0.030 1 156 20 20 LEU HB2 H 1.759 0.030 2 157 20 20 LEU HB3 H 1.450 0.030 2 158 20 20 LEU HD1 H 0.861 0.030 1 159 20 20 LEU HD2 H 0.895 0.030 1 160 20 20 LEU HG H 1.651 0.030 1 161 20 20 LEU C C 174.477 0.300 1 162 20 20 LEU CA C 53.967 0.300 1 163 20 20 LEU CB C 38.740 0.300 1 164 20 20 LEU CD1 C 24.034 0.300 2 165 20 20 LEU CD2 C 24.879 0.300 2 166 20 20 LEU CG C 27.430 0.300 1 167 20 20 LEU N N 128.318 0.300 1 168 21 21 THR H H 7.889 0.030 1 169 21 21 THR HA H 4.230 0.030 1 170 21 21 THR HB H 3.225 0.030 1 171 21 21 THR HG2 H 0.315 0.030 1 172 21 21 THR C C 172.932 0.300 1 173 21 21 THR CA C 60.418 0.300 1 174 21 21 THR CB C 67.246 0.300 1 175 21 21 THR CG2 C 17.703 0.300 1 176 21 21 THR N N 115.266 0.300 1 177 22 22 SER H H 8.264 0.030 1 178 22 22 SER HA H 4.708 0.030 1 179 22 22 SER HB2 H 4.218 0.030 2 180 22 22 SER HB3 H 3.859 0.030 2 181 22 22 SER C C 173.686 0.300 1 182 22 22 SER CA C 56.024 0.300 1 183 22 22 SER CB C 64.139 0.300 1 184 22 22 SER N N 118.154 0.300 1 185 23 23 PRO HA H 3.974 0.030 1 186 23 23 PRO HB2 H 2.199 0.030 2 187 23 23 PRO HB3 H 1.966 0.030 2 188 23 23 PRO HD2 H 3.850 0.030 2 189 23 23 PRO HD3 H 3.777 0.030 2 190 23 23 PRO HG2 H 2.172 0.030 2 191 23 23 PRO HG3 H 1.896 0.030 2 192 23 23 PRO C C 178.075 0.300 1 193 23 23 PRO CA C 66.079 0.300 1 194 23 23 PRO CB C 32.381 0.300 1 195 23 23 PRO CD C 50.463 0.300 1 196 23 23 PRO CG C 27.996 0.300 1 197 24 24 GLU H H 8.412 0.030 1 198 24 24 GLU HA H 3.664 0.030 1 199 24 24 GLU HB2 H 1.958 0.030 2 200 24 24 GLU HB3 H 1.804 0.030 2 201 24 24 GLU HG2 H 2.161 0.030 2 202 24 24 GLU HG3 H 2.102 0.030 2 203 24 24 GLU C C 178.387 0.300 1 204 24 24 GLU CA C 59.809 0.300 1 205 24 24 GLU CB C 29.018 0.300 1 206 24 24 GLU CG C 35.721 0.300 1 207 24 24 GLU N N 115.255 0.300 1 208 25 25 GLU H H 7.402 0.030 1 209 25 25 GLU HA H 3.937 0.030 1 210 25 25 GLU HB2 H 2.006 0.030 1 211 25 25 GLU HB3 H 2.006 0.030 1 212 25 25 GLU HG2 H 2.137 0.030 2 213 25 25 GLU HG3 H 2.076 0.030 2 214 25 25 GLU C C 178.776 0.300 1 215 25 25 GLU CA C 58.755 0.300 1 216 25 25 GLU CB C 29.188 0.300 1 217 25 25 GLU CG C 36.091 0.300 1 218 25 25 GLU N N 120.091 0.300 1 219 26 26 LEU H H 8.104 0.030 1 220 26 26 LEU HA H 3.888 0.030 1 221 26 26 LEU HB2 H 1.693 0.030 2 222 26 26 LEU HB3 H 1.110 0.030 2 223 26 26 LEU HD1 H 0.353 0.030 1 224 26 26 LEU HD2 H 0.400 0.030 1 225 26 26 LEU HG H 1.699 0.030 1 226 26 26 LEU C C 178.112 0.300 1 227 26 26 LEU CA C 57.209 0.300 1 228 26 26 LEU CB C 41.591 0.300 1 229 26 26 LEU CD1 C 22.947 0.300 2 230 26 26 LEU CD2 C 26.743 0.300 2 231 26 26 LEU CG C 26.724 0.300 1 232 26 26 LEU N N 119.681 0.300 1 233 27 27 TYR H H 8.584 0.030 1 234 27 27 TYR HA H 3.503 0.030 1 235 27 27 TYR HB2 H 2.766 0.030 2 236 27 27 TYR HB3 H 1.902 0.030 2 237 27 27 TYR HD1 H 7.453 0.030 1 238 27 27 TYR HD2 H 7.453 0.030 1 239 27 27 TYR HE1 H 6.571 0.030 1 240 27 27 TYR HE2 H 6.571 0.030 1 241 27 27 TYR C C 178.596 0.300 1 242 27 27 TYR CA C 62.224 0.300 1 243 27 27 TYR CB C 38.185 0.300 1 244 27 27 TYR CD1 C 130.880 0.300 1 245 27 27 TYR CD2 C 130.880 0.300 1 246 27 27 TYR CE1 C 119.045 0.300 1 247 27 27 TYR CE2 C 119.045 0.300 1 248 27 27 TYR N N 118.450 0.300 1 249 28 28 ARG H H 7.492 0.030 1 250 28 28 ARG HA H 3.683 0.030 1 251 28 28 ARG HB2 H 1.949 0.030 2 252 28 28 ARG HB3 H 1.863 0.030 2 253 28 28 ARG HD2 H 3.168 0.030 1 254 28 28 ARG HD3 H 3.168 0.030 1 255 28 28 ARG HG2 H 1.740 0.030 2 256 28 28 ARG HG3 H 1.466 0.030 2 257 28 28 ARG C C 179.312 0.300 1 258 28 28 ARG CA C 59.748 0.300 1 259 28 28 ARG CB C 30.266 0.300 1 260 28 28 ARG CD C 43.508 0.300 1 261 28 28 ARG CG C 28.352 0.300 1 262 28 28 ARG N N 119.922 0.300 1 263 29 29 VAL H H 7.775 0.030 1 264 29 29 VAL HA H 3.639 0.030 1 265 29 29 VAL HB H 2.314 0.030 1 266 29 29 VAL HG1 H 0.630 0.030 1 267 29 29 VAL HG2 H 0.738 0.030 1 268 29 29 VAL C C 174.840 0.300 1 269 29 29 VAL CA C 66.192 0.300 1 270 29 29 VAL CB C 31.053 0.300 1 271 29 29 VAL CG1 C 23.624 0.300 2 272 29 29 VAL CG2 C 23.511 0.300 2 273 29 29 VAL N N 120.394 0.300 1 274 30 30 PHE H H 6.837 0.030 1 275 30 30 PHE HA H 4.092 0.030 1 276 30 30 PHE HB2 H 2.958 0.030 2 277 30 30 PHE HB3 H 2.688 0.030 2 278 30 30 PHE HD1 H 7.477 0.030 1 279 30 30 PHE HD2 H 7.477 0.030 1 280 30 30 PHE HE1 H 6.756 0.030 1 281 30 30 PHE HE2 H 6.756 0.030 1 282 30 30 PHE HZ H 6.836 0.030 1 283 30 30 PHE C C 177.203 0.300 1 284 30 30 PHE CA C 61.537 0.300 1 285 30 30 PHE CB C 42.031 0.300 1 286 30 30 PHE CD1 C 131.265 0.300 1 287 30 30 PHE CD2 C 131.265 0.300 1 288 30 30 PHE CE1 C 130.411 0.300 1 289 30 30 PHE CE2 C 130.411 0.300 1 290 30 30 PHE CZ C 128.615 0.300 1 291 30 30 PHE N N 109.377 0.300 1 292 31 31 THR H H 7.123 0.030 1 293 31 31 THR HA H 4.212 0.030 1 294 31 31 THR HB H 4.183 0.030 1 295 31 31 THR HG2 H 0.347 0.030 1 296 31 31 THR C C 172.533 0.300 1 297 31 31 THR CA C 60.704 0.300 1 298 31 31 THR CB C 69.725 0.300 1 299 31 31 THR CG2 C 20.873 0.300 1 300 31 31 THR N N 101.282 0.300 1 301 32 32 THR H H 6.820 0.030 1 302 32 32 THR HA H 4.648 0.030 1 303 32 32 THR HB H 3.938 0.030 1 304 32 32 THR HG2 H 1.366 0.030 1 305 32 32 THR C C 174.875 0.300 1 306 32 32 THR CA C 61.652 0.300 1 307 32 32 THR CB C 69.746 0.300 1 308 32 32 THR CG2 C 21.319 0.300 1 309 32 32 THR N N 115.354 0.300 1 310 33 33 GLN H H 9.868 0.030 1 311 33 33 GLN HA H 3.586 0.030 1 312 33 33 GLN HB2 H 2.420 0.030 2 313 33 33 GLN HB3 H 2.257 0.030 2 314 33 33 GLN HE21 H 7.767 0.030 2 315 33 33 GLN HE22 H 6.814 0.030 2 316 33 33 GLN HG2 H 2.261 0.030 2 317 33 33 GLN HG3 H 2.082 0.030 2 318 33 33 GLN C C 176.857 0.300 1 319 33 33 GLN CA C 61.455 0.300 1 320 33 33 GLN CB C 29.126 0.300 1 321 33 33 GLN CG C 34.045 0.300 1 322 33 33 GLN N N 131.184 0.300 1 323 33 33 GLN NE2 N 111.969 0.300 1 324 34 34 GLU H H 9.634 0.030 1 325 34 34 GLU HA H 4.004 0.030 1 326 34 34 GLU HB2 H 2.064 0.030 2 327 34 34 GLU HB3 H 1.993 0.030 2 328 34 34 GLU HG2 H 2.366 0.030 1 329 34 34 GLU HG3 H 2.366 0.030 1 330 34 34 GLU C C 179.095 0.300 1 331 34 34 GLU CA C 60.252 0.300 1 332 34 34 GLU CB C 29.280 0.300 1 333 34 34 GLU CG C 36.676 0.300 1 334 34 34 GLU N N 116.792 0.300 1 335 35 35 LEU H H 6.947 0.030 1 336 35 35 LEU HA H 4.540 0.030 1 337 35 35 LEU HB2 H 2.325 0.030 2 338 35 35 LEU HB3 H 1.648 0.030 2 339 35 35 LEU HD1 H 0.812 0.030 1 340 35 35 LEU HD2 H 0.902 0.030 1 341 35 35 LEU HG H 1.621 0.030 1 342 35 35 LEU C C 178.021 0.300 1 343 35 35 LEU CA C 57.124 0.300 1 344 35 35 LEU CB C 40.598 0.300 1 345 35 35 LEU CD1 C 25.454 0.300 2 346 35 35 LEU CD2 C 21.868 0.300 2 347 35 35 LEU CG C 27.485 0.300 1 348 35 35 LEU N N 118.373 0.300 1 349 36 36 VAL H H 7.900 0.030 1 350 36 36 VAL HA H 3.349 0.030 1 351 36 36 VAL HB H 1.735 0.030 1 352 36 36 VAL HG1 H 0.479 0.030 1 353 36 36 VAL HG2 H 1.012 0.030 1 354 36 36 VAL C C 180.574 0.300 1 355 36 36 VAL CA C 64.769 0.300 1 356 36 36 VAL CB C 31.683 0.300 1 357 36 36 VAL CG1 C 21.692 0.300 2 358 36 36 VAL CG2 C 22.797 0.300 2 359 36 36 VAL N N 121.300 0.300 1 360 37 37 GLN H H 8.380 0.030 1 361 37 37 GLN HA H 4.150 0.030 1 362 37 37 GLN HB2 H 2.087 0.030 2 363 37 37 GLN HB3 H 1.953 0.030 2 364 37 37 GLN HE21 H 7.343 0.030 2 365 37 37 GLN HE22 H 6.931 0.030 2 366 37 37 GLN HG2 H 2.501 0.030 2 367 37 37 GLN HG3 H 2.381 0.030 2 368 37 37 GLN C C 178.020 0.300 1 369 37 37 GLN CA C 58.474 0.300 1 370 37 37 GLN CB C 28.288 0.300 1 371 37 37 GLN CG C 34.158 0.300 1 372 37 37 GLN N N 121.772 0.300 1 373 37 37 GLN NE2 N 110.447 0.300 1 374 38 38 ALA H H 7.270 0.030 1 375 38 38 ALA HA H 4.041 0.030 1 376 38 38 ALA HB H 1.615 0.030 1 377 38 38 ALA C C 179.428 0.300 1 378 38 38 ALA CA C 55.218 0.300 1 379 38 38 ALA CB C 17.717 0.300 1 380 38 38 ALA N N 120.279 0.300 1 381 39 39 PHE H H 8.024 0.030 1 382 39 39 PHE HA H 4.901 0.030 1 383 39 39 PHE HB2 H 2.978 0.030 2 384 39 39 PHE HB3 H 2.579 0.030 2 385 39 39 PHE HD1 H 7.196 0.030 1 386 39 39 PHE HD2 H 7.196 0.030 1 387 39 39 PHE HE1 H 6.984 0.030 1 388 39 39 PHE HE2 H 6.984 0.030 1 389 39 39 PHE HZ H 6.713 0.030 1 390 39 39 PHE C C 176.611 0.300 1 391 39 39 PHE CA C 58.564 0.300 1 392 39 39 PHE CB C 38.161 0.300 1 393 39 39 PHE CD1 C 134.163 0.300 1 394 39 39 PHE CD2 C 134.163 0.300 1 395 39 39 PHE CE1 C 132.220 0.300 1 396 39 39 PHE CE2 C 132.220 0.300 1 397 39 39 PHE CZ C 128.632 0.300 1 398 39 39 PHE N N 111.493 0.300 1 399 40 40 THR H H 7.276 0.030 1 400 40 40 THR HA H 4.371 0.030 1 401 40 40 THR HB H 3.980 0.030 1 402 40 40 THR HG2 H 0.605 0.030 1 403 40 40 THR C C 174.598 0.300 1 404 40 40 THR CA C 61.851 0.300 1 405 40 40 THR CB C 71.173 0.300 1 406 40 40 THR CG2 C 22.337 0.300 1 407 40 40 THR N N 110.263 0.300 1 408 41 41 HIS H H 7.409 0.030 1 409 41 41 HIS HA H 4.122 0.030 1 410 41 41 HIS HB2 H 3.439 0.030 2 411 41 41 HIS HB3 H 3.308 0.030 2 412 41 41 HIS HD2 H 7.058 0.030 1 413 41 41 HIS HE1 H 8.373 0.030 1 414 41 41 HIS C C 172.990 0.300 1 415 41 41 HIS CA C 56.242 0.300 1 416 41 41 HIS CB C 26.246 0.300 1 417 41 41 HIS CD2 C 119.861 0.300 1 418 41 41 HIS CE1 C 136.594 0.300 1 419 41 41 HIS N N 116.614 0.300 1 420 42 42 ALA H H 7.789 0.030 1 421 42 42 ALA HA H 4.782 0.030 1 422 42 42 ALA HB H 1.247 0.030 1 423 42 42 ALA C C 173.013 0.300 1 424 42 42 ALA CA C 50.333 0.300 1 425 42 42 ALA CB C 20.014 0.300 1 426 42 42 ALA N N 120.895 0.300 1 427 43 43 PRO HA H 4.174 0.030 1 428 43 43 PRO HB2 H 2.256 0.030 2 429 43 43 PRO HB3 H 1.686 0.030 2 430 43 43 PRO HD2 H 3.725 0.030 2 431 43 43 PRO HD3 H 3.498 0.030 2 432 43 43 PRO HG2 H 2.007 0.030 2 433 43 43 PRO HG3 H 1.868 0.030 2 434 43 43 PRO C C 176.959 0.300 1 435 43 43 PRO CA C 63.259 0.300 1 436 43 43 PRO CB C 32.395 0.300 1 437 43 43 PRO CD C 50.470 0.300 1 438 43 43 PRO CG C 27.899 0.300 1 439 44 44 ALA H H 8.304 0.030 1 440 44 44 ALA HA H 5.007 0.030 1 441 44 44 ALA HB H 1.282 0.030 1 442 44 44 ALA C C 175.957 0.300 1 443 44 44 ALA CA C 51.424 0.300 1 444 44 44 ALA CB C 23.098 0.300 1 445 44 44 ALA N N 125.412 0.300 1 446 45 45 THR H H 8.543 0.030 1 447 45 45 THR HA H 4.591 0.030 1 448 45 45 THR HB H 3.869 0.030 1 449 45 45 THR HG2 H 1.164 0.030 1 450 45 45 THR C C 173.407 0.300 1 451 45 45 THR CA C 60.675 0.300 1 452 45 45 THR CB C 71.180 0.300 1 453 45 45 THR CG2 C 21.788 0.300 1 454 45 45 THR N N 114.551 0.300 1 455 46 46 LEU H H 9.120 0.030 1 456 46 46 LEU HA H 5.044 0.030 1 457 46 46 LEU HB2 H 1.631 0.030 1 458 46 46 LEU HB3 H 1.631 0.030 1 459 46 46 LEU HD1 H 0.844 0.030 1 460 46 46 LEU HD2 H 0.761 0.030 1 461 46 46 LEU HG H 1.717 0.030 1 462 46 46 LEU C C 174.085 0.300 1 463 46 46 LEU CA C 56.403 0.300 1 464 46 46 LEU CB C 46.027 0.300 1 465 46 46 LEU CD1 C 26.876 0.300 2 466 46 46 LEU CD2 C 26.769 0.300 2 467 46 46 LEU CG C 28.017 0.300 1 468 46 46 LEU N N 125.424 0.300 1 469 47 47 GLU H H 8.014 0.030 1 470 47 47 GLU HA H 4.603 0.030 1 471 47 47 GLU HB2 H 2.206 0.030 2 472 47 47 GLU HB3 H 2.160 0.030 2 473 47 47 GLU HG2 H 2.309 0.030 2 474 47 47 GLU HG3 H 2.203 0.030 2 475 47 47 GLU C C 174.693 0.300 1 476 47 47 GLU CA C 55.018 0.300 1 477 47 47 GLU CB C 30.993 0.300 1 478 47 47 GLU CG C 35.760 0.300 1 479 47 47 GLU N N 125.892 0.300 1 480 48 48 ALA H H 8.671 0.030 1 481 48 48 ALA HA H 4.136 0.030 1 482 48 48 ALA HB H 1.103 0.030 1 483 48 48 ALA C C 174.690 0.300 1 484 48 48 ALA CA C 50.813 0.300 1 485 48 48 ALA CB C 16.806 0.300 1 486 48 48 ALA N N 129.084 0.300 1 487 49 49 ASP H H 8.217 0.030 1 488 49 49 ASP HA H 4.703 0.030 1 489 49 49 ASP HB2 H 2.480 0.030 1 490 49 49 ASP HB3 H 2.480 0.030 1 491 49 49 ASP C C 175.836 0.300 1 492 49 49 ASP CA C 52.194 0.300 1 493 49 49 ASP CB C 43.833 0.300 1 494 49 49 ASP N N 121.233 0.300 1 495 50 50 ARG H H 8.969 0.030 1 496 50 50 ARG HA H 3.774 0.030 1 497 50 50 ARG HB2 H 1.841 0.030 1 498 50 50 ARG HB3 H 1.841 0.030 1 499 50 50 ARG HD2 H 3.363 0.030 1 500 50 50 ARG HD3 H 3.363 0.030 1 501 50 50 ARG HG2 H 1.823 0.030 2 502 50 50 ARG HG3 H 1.527 0.030 2 503 50 50 ARG C C 177.627 0.300 1 504 50 50 ARG CA C 59.234 0.300 1 505 50 50 ARG CB C 29.541 0.300 1 506 50 50 ARG CD C 43.671 0.300 1 507 50 50 ARG CG C 28.086 0.300 1 508 50 50 ARG N N 123.343 0.300 1 509 51 51 GLY H H 9.197 0.030 1 510 51 51 GLY HA2 H 4.247 0.030 2 511 51 51 GLY HA3 H 3.902 0.030 2 512 51 51 GLY C C 174.282 0.300 1 513 51 51 GLY CA C 45.445 0.300 1 514 51 51 GLY N N 116.957 0.300 1 515 52 52 GLY H H 8.964 0.030 1 516 52 52 GLY HA2 H 4.437 0.030 2 517 52 52 GLY HA3 H 4.166 0.030 2 518 52 52 GLY C C 173.142 0.300 1 519 52 52 GLY CA C 45.512 0.300 1 520 52 52 GLY N N 111.147 0.300 1 521 53 53 LYS H H 8.723 0.030 1 522 53 53 LYS HA H 4.916 0.030 1 523 53 53 LYS HB2 H 1.789 0.030 1 524 53 53 LYS HB3 H 1.789 0.030 1 525 53 53 LYS HD2 H 1.585 0.030 2 526 53 53 LYS HD3 H 1.473 0.030 2 527 53 53 LYS HE2 H 2.968 0.030 2 528 53 53 LYS HG2 H 1.637 0.030 1 529 53 53 LYS HG3 H 1.637 0.030 1 530 53 53 LYS C C 177.321 0.300 1 531 53 53 LYS CA C 55.098 0.300 1 532 53 53 LYS CB C 34.627 0.300 1 533 53 53 LYS CD C 25.766 0.300 1 534 53 53 LYS CE C 42.179 0.300 1 535 53 53 LYS CG C 28.647 0.300 1 536 53 53 LYS N N 122.152 0.300 1 537 54 54 PHE H H 7.482 0.030 1 538 54 54 PHE HA H 5.562 0.030 1 539 54 54 PHE HB2 H 2.892 0.030 1 540 54 54 PHE HB3 H 2.892 0.030 1 541 54 54 PHE HD1 H 6.270 0.030 1 542 54 54 PHE HD2 H 6.270 0.030 1 543 54 54 PHE HE1 H 6.542 0.030 1 544 54 54 PHE HE2 H 6.542 0.030 1 545 54 54 PHE HZ H 7.533 0.030 1 546 54 54 PHE C C 173.674 0.300 1 547 54 54 PHE CA C 55.466 0.300 1 548 54 54 PHE CB C 43.056 0.300 1 549 54 54 PHE CD1 C 132.216 0.300 1 550 54 54 PHE CD2 C 132.216 0.300 1 551 54 54 PHE CE1 C 129.843 0.300 1 552 54 54 PHE CE2 C 129.843 0.300 1 553 54 54 PHE CZ C 130.339 0.300 1 554 54 54 PHE N N 113.950 0.300 1 555 55 55 HIS H H 8.821 0.030 1 556 55 55 HIS HA H 4.909 0.030 1 557 55 55 HIS HB2 H 3.014 0.030 2 558 55 55 HIS HB3 H 2.854 0.030 2 559 55 55 HIS HD2 H 6.821 0.030 1 560 55 55 HIS HE1 H 7.587 0.030 1 561 55 55 HIS C C 174.071 0.300 1 562 55 55 HIS CA C 56.749 0.300 1 563 55 55 HIS CB C 33.691 0.300 1 564 55 55 HIS CD2 C 119.724 0.300 1 565 55 55 HIS CE1 C 138.468 0.300 1 566 55 55 HIS N N 120.280 0.300 1 567 56 56 MET H H 9.073 0.030 1 568 56 56 MET HA H 4.897 0.030 1 569 56 56 MET HB2 H 2.044 0.030 2 570 56 56 MET HB3 H 1.752 0.030 2 571 56 56 MET HE H 1.480 0.030 1 572 56 56 MET HG2 H 2.317 0.030 2 573 56 56 MET HG3 H 2.032 0.030 2 574 56 56 MET C C 174.759 0.300 1 575 56 56 MET CA C 54.743 0.300 1 576 56 56 MET CB C 38.602 0.300 1 577 56 56 MET CE C 16.399 0.300 1 578 56 56 MET CG C 30.894 0.300 1 579 56 56 MET N N 120.536 0.300 1 580 57 57 VAL H H 9.888 0.030 1 581 57 57 VAL HA H 2.972 0.030 1 582 57 57 VAL HB H 2.110 0.030 1 583 57 57 VAL HG1 H 0.643 0.030 1 584 57 57 VAL HG2 H 0.293 0.030 1 585 57 57 VAL C C 176.424 0.300 1 586 57 57 VAL CA C 62.492 0.300 1 587 57 57 VAL CB C 29.331 0.300 1 588 57 57 VAL CG1 C 22.491 0.300 2 589 57 57 VAL CG2 C 20.736 0.300 2 590 57 57 VAL N N 117.405 0.300 1 591 58 58 ASP H H 8.072 0.030 1 592 58 58 ASP HA H 4.151 0.030 1 593 58 58 ASP HB2 H 2.976 0.030 2 594 58 58 ASP HB3 H 2.412 0.030 2 595 58 58 ASP C C 175.657 0.300 1 596 58 58 ASP CA C 55.363 0.300 1 597 58 58 ASP CB C 39.898 0.300 1 598 58 58 ASP N N 119.703 0.300 1 599 59 59 GLY H H 7.639 0.030 1 600 59 59 GLY HA2 H 3.989 0.030 2 601 59 59 GLY HA3 H 2.949 0.030 2 602 59 59 GLY C C 174.434 0.300 1 603 59 59 GLY CA C 45.147 0.300 1 604 59 59 GLY N N 104.518 0.300 1 605 60 60 ASN H H 8.027 0.030 1 606 60 60 ASN HA H 4.480 0.030 1 607 60 60 ASN HB2 H 2.998 0.030 2 608 60 60 ASN HB3 H 2.639 0.030 2 609 60 60 ASN HD21 H 7.250 0.030 2 610 60 60 ASN HD22 H 7.108 0.030 2 611 60 60 ASN C C 174.082 0.300 1 612 60 60 ASN CA C 55.808 0.300 1 613 60 60 ASN CB C 39.728 0.300 1 614 60 60 ASN N N 118.439 0.300 1 615 60 60 ASN ND2 N 113.725 0.300 1 616 61 61 VAL H H 7.566 0.030 1 617 61 61 VAL HA H 4.193 0.030 1 618 61 61 VAL HB H 1.220 0.030 1 619 61 61 VAL HG1 H 0.335 0.030 1 620 61 61 VAL HG2 H 0.424 0.030 1 621 61 61 VAL C C 173.884 0.300 1 622 61 61 VAL CA C 60.378 0.300 1 623 61 61 VAL CB C 34.950 0.300 1 624 61 61 VAL CG1 C 21.397 0.300 2 625 61 61 VAL CG2 C 21.401 0.300 2 626 61 61 VAL N N 117.986 0.300 1 627 62 62 SER H H 7.891 0.030 1 628 62 62 SER HA H 4.627 0.030 1 629 62 62 SER HB2 H 3.632 0.030 1 630 62 62 SER HB3 H 3.632 0.030 1 631 62 62 SER C C 171.032 0.300 1 632 62 62 SER CA C 57.024 0.300 1 633 62 62 SER CB C 66.161 0.300 1 634 62 62 SER N N 118.746 0.300 1 635 63 63 GLY H H 6.850 0.030 1 636 63 63 GLY HA2 H 4.278 0.030 2 637 63 63 GLY HA3 H 3.281 0.030 2 638 63 63 GLY C C 172.397 0.300 1 639 63 63 GLY CA C 45.785 0.300 1 640 63 63 GLY N N 102.993 0.300 1 641 64 64 GLU H H 8.266 0.030 1 642 64 64 GLU HA H 5.162 0.030 1 643 64 64 GLU HB2 H 1.613 0.030 2 644 64 64 GLU HB3 H 1.551 0.030 2 645 64 64 GLU HG2 H 1.809 0.030 2 646 64 64 GLU HG3 H 1.767 0.030 2 647 64 64 GLU C C 175.703 0.300 1 648 64 64 GLU CA C 53.887 0.300 1 649 64 64 GLU CB C 34.493 0.300 1 650 64 64 GLU CG C 35.646 0.300 1 651 64 64 GLU N N 120.273 0.300 1 652 65 65 PHE H H 9.504 0.030 1 653 65 65 PHE HA H 4.960 0.030 1 654 65 65 PHE HB2 H 3.656 0.030 2 655 65 65 PHE HB3 H 2.886 0.030 2 656 65 65 PHE HD1 H 7.590 0.030 1 657 65 65 PHE HD2 H 7.590 0.030 1 658 65 65 PHE HE1 H 7.059 0.030 1 659 65 65 PHE HE2 H 7.059 0.030 1 660 65 65 PHE HZ H 7.066 0.030 1 661 65 65 PHE C C 176.283 0.300 1 662 65 65 PHE CA C 59.185 0.300 1 663 65 65 PHE CB C 39.789 0.300 1 664 65 65 PHE CD1 C 132.990 0.300 1 665 65 65 PHE CD2 C 132.990 0.300 1 666 65 65 PHE CE1 C 130.853 0.300 1 667 65 65 PHE CE2 C 130.853 0.300 1 668 65 65 PHE CZ C 128.904 0.300 1 669 65 65 PHE N N 123.906 0.300 1 670 66 66 THR H H 9.600 0.030 1 671 66 66 THR HA H 4.718 0.030 1 672 66 66 THR HB H 4.111 0.030 1 673 66 66 THR HG2 H 1.139 0.030 1 674 66 66 THR C C 175.026 0.300 1 675 66 66 THR CA C 62.946 0.300 1 676 66 66 THR CB C 68.938 0.300 1 677 66 66 THR CG2 C 22.144 0.300 1 678 66 66 THR N N 117.625 0.300 1 679 67 67 ASP H H 8.071 0.030 1 680 67 67 ASP HA H 4.910 0.030 1 681 67 67 ASP HB2 H 2.724 0.030 2 682 67 67 ASP HB3 H 2.475 0.030 2 683 67 67 ASP C C 174.137 0.300 1 684 67 67 ASP CA C 55.399 0.300 1 685 67 67 ASP CB C 44.200 0.300 1 686 67 67 ASP N N 119.701 0.300 1 687 68 68 LEU H H 8.279 0.030 1 688 68 68 LEU HA H 4.911 0.030 1 689 68 68 LEU HB2 H 1.793 0.030 2 690 68 68 LEU HB3 H 1.615 0.030 2 691 68 68 LEU HD1 H 0.471 0.030 1 692 68 68 LEU HD2 H 0.586 0.030 1 693 68 68 LEU HG H 1.414 0.030 1 694 68 68 LEU C C 175.220 0.300 1 695 68 68 LEU CA C 55.125 0.300 1 696 68 68 LEU CB C 44.415 0.300 1 697 68 68 LEU CD1 C 25.380 0.300 2 698 68 68 LEU CD2 C 25.036 0.300 2 699 68 68 LEU CG C 27.236 0.300 1 700 68 68 LEU N N 125.015 0.300 1 701 69 69 VAL H H 8.761 0.030 1 702 69 69 VAL HA H 4.451 0.030 1 703 69 69 VAL HB H 1.547 0.030 1 704 69 69 VAL HG1 H 0.793 0.030 1 705 69 69 VAL HG2 H 0.776 0.030 1 706 69 69 VAL C C 172.843 0.300 1 707 69 69 VAL CA C 59.451 0.300 1 708 69 69 VAL CB C 33.047 0.300 1 709 69 69 VAL CG1 C 21.056 0.300 2 710 69 69 VAL CG2 C 21.296 0.300 2 711 69 69 VAL N N 124.917 0.300 1 712 70 70 PRO HA H 2.430 0.030 1 713 70 70 PRO HB2 H 1.850 0.030 2 714 70 70 PRO HB3 H 1.555 0.030 2 715 70 70 PRO HD2 H 3.641 0.030 2 716 70 70 PRO HD3 H 3.558 0.030 2 717 70 70 PRO HG2 H 1.990 0.030 2 718 70 70 PRO HG3 H 1.762 0.030 2 719 70 70 PRO CA C 63.963 0.300 1 720 70 70 PRO CB C 31.743 0.300 1 721 70 70 PRO CD C 51.354 0.300 1 722 70 70 PRO CG C 26.966 0.300 1 723 71 71 GLU H H 7.593 0.030 1 724 71 71 GLU HA H 2.602 0.030 1 725 71 71 GLU HB2 H 2.167 0.030 2 726 71 71 GLU HB3 H 1.891 0.030 2 727 71 71 GLU HG2 H 1.770 0.030 2 728 71 71 GLU HG3 H 1.668 0.030 2 729 71 71 GLU C C 173.142 0.300 1 730 71 71 GLU CA C 59.247 0.300 1 731 71 71 GLU CB C 28.167 0.300 1 732 71 71 GLU CG C 37.091 0.300 1 733 71 71 GLU N N 129.682 0.300 1 734 72 72 LYS H H 7.926 0.030 1 735 72 72 LYS HA H 4.902 0.030 1 736 72 72 LYS HB2 H 1.750 0.030 2 737 72 72 LYS HB3 H 1.422 0.030 2 738 72 72 LYS HD2 H 1.647 0.030 1 739 72 72 LYS HD3 H 1.647 0.030 1 740 72 72 LYS HE2 H 2.966 0.030 1 741 72 72 LYS HE3 H 2.966 0.030 1 742 72 72 LYS HG2 H 1.363 0.030 2 743 72 72 LYS HG3 H 1.295 0.030 2 744 72 72 LYS C C 176.753 0.300 1 745 72 72 LYS CA C 58.056 0.300 1 746 72 72 LYS CB C 35.579 0.300 1 747 72 72 LYS CD C 28.614 0.300 1 748 72 72 LYS CE C 42.346 0.300 1 749 72 72 LYS CG C 24.434 0.300 1 750 72 72 LYS N N 115.852 0.300 1 751 73 73 HIS H H 8.581 0.030 1 752 73 73 HIS HA H 5.973 0.030 1 753 73 73 HIS HB2 H 3.266 0.030 2 754 73 73 HIS HB3 H 3.028 0.030 2 755 73 73 HIS HD2 H 6.651 0.030 1 756 73 73 HIS HE1 H 7.665 0.030 1 757 73 73 HIS C C 173.471 0.300 1 758 73 73 HIS CA C 56.236 0.300 1 759 73 73 HIS CB C 33.965 0.300 1 760 73 73 HIS CD2 C 119.090 0.300 1 761 73 73 HIS CE1 C 137.956 0.300 1 762 73 73 HIS N N 115.691 0.300 1 763 74 74 ILE H H 9.007 0.030 1 764 74 74 ILE HA H 4.749 0.030 1 765 74 74 ILE HB H 1.606 0.030 1 766 74 74 ILE HD1 H 0.559 0.030 1 767 74 74 ILE HG12 H 1.786 0.030 2 768 74 74 ILE HG13 H 1.092 0.030 2 769 74 74 ILE HG2 H 1.095 0.030 1 770 74 74 ILE C C 174.035 0.300 1 771 74 74 ILE CA C 61.061 0.300 1 772 74 74 ILE CB C 43.857 0.300 1 773 74 74 ILE CD1 C 14.996 0.300 1 774 74 74 ILE CG1 C 28.687 0.300 1 775 74 74 ILE CG2 C 17.644 0.300 1 776 74 74 ILE N N 120.763 0.300 1 777 75 75 VAL H H 9.292 0.030 1 778 75 75 VAL HA H 5.214 0.030 1 779 75 75 VAL HB H 2.006 0.030 1 780 75 75 VAL HG1 H 0.928 0.030 1 781 75 75 VAL HG2 H 0.928 0.030 1 782 75 75 VAL C C 175.971 0.300 1 783 75 75 VAL CA C 61.415 0.300 1 784 75 75 VAL CB C 33.139 0.300 1 785 75 75 VAL CG1 C 21.219 0.300 2 786 75 75 VAL CG2 C 21.219 0.300 2 787 75 75 VAL N N 127.199 0.300 1 788 76 76 MET H H 9.612 0.030 1 789 76 76 MET HA H 5.635 0.030 1 790 76 76 MET HB2 H 2.311 0.030 2 791 76 76 MET HB3 H 2.188 0.030 2 792 76 76 MET HE H 1.949 0.030 1 793 76 76 MET HG2 H 2.581 0.030 1 794 76 76 MET HG3 H 2.581 0.030 1 795 76 76 MET C C 175.357 0.300 1 796 76 76 MET CA C 54.427 0.300 1 797 76 76 MET CB C 37.068 0.300 1 798 76 76 MET CE C 17.425 0.300 1 799 76 76 MET CG C 32.101 0.300 1 800 76 76 MET N N 123.786 0.300 1 801 77 77 LYS H H 9.172 0.030 1 802 77 77 LYS HA H 5.479 0.030 1 803 77 77 LYS HB2 H 1.406 0.030 2 804 77 77 LYS HB3 H 1.301 0.030 2 805 77 77 LYS HD2 H 1.203 0.030 2 806 77 77 LYS HD3 H 1.142 0.030 2 807 77 77 LYS HE2 H 2.491 0.030 2 808 77 77 LYS HE3 H 2.361 0.030 2 809 77 77 LYS HG2 H 1.356 0.030 2 810 77 77 LYS HG3 H 1.295 0.030 2 811 77 77 LYS C C 177.157 0.300 1 812 77 77 LYS CA C 55.594 0.300 1 813 77 77 LYS CB C 33.480 0.300 1 814 77 77 LYS CD C 29.155 0.300 1 815 77 77 LYS CE C 41.627 0.300 1 816 77 77 LYS CG C 24.869 0.300 1 817 77 77 LYS N N 122.117 0.300 1 818 78 78 TRP H H 9.460 0.030 1 819 78 78 TRP HA H 5.310 0.030 1 820 78 78 TRP HB2 H 3.310 0.030 2 821 78 78 TRP HB3 H 3.028 0.030 2 822 78 78 TRP HD1 H 7.531 0.030 1 823 78 78 TRP HE1 H 9.986 0.030 1 824 78 78 TRP HE3 H 7.232 0.030 1 825 78 78 TRP HH2 H 6.014 0.030 1 826 78 78 TRP HZ2 H 6.725 0.030 1 827 78 78 TRP HZ3 H 6.617 0.030 1 828 78 78 TRP C C 174.212 0.300 1 829 78 78 TRP CA C 58.961 0.300 1 830 78 78 TRP CB C 37.662 0.300 1 831 78 78 TRP CD1 C 127.129 0.300 1 832 78 78 TRP CE3 C 119.626 0.300 1 833 78 78 TRP CH2 C 123.299 0.300 1 834 78 78 TRP CZ2 C 113.939 0.300 1 835 78 78 TRP CZ3 C 122.674 0.300 1 836 78 78 TRP N N 126.329 0.300 1 837 78 78 TRP NE1 N 129.489 0.300 1 838 79 79 ARG H H 8.545 0.030 1 839 79 79 ARG HA H 4.197 0.030 1 840 79 79 ARG HB2 H 2.152 0.030 2 841 79 79 ARG HB3 H 1.529 0.030 2 842 79 79 ARG HD2 H 2.687 0.030 2 843 79 79 ARG HD3 H 1.584 0.030 2 844 79 79 ARG HE H 6.937 0.030 1 845 79 79 ARG HG2 H 1.302 0.030 2 846 79 79 ARG HG3 H 0.585 0.030 2 847 79 79 ARG C C 173.616 0.300 1 848 79 79 ARG CA C 55.529 0.300 1 849 79 79 ARG CB C 32.888 0.300 1 850 79 79 ARG CD C 43.315 0.300 1 851 79 79 ARG CG C 27.035 0.300 1 852 79 79 ARG N N 123.010 0.300 1 853 79 79 ARG NE N 89.414 0.300 1 854 80 80 PHE H H 3.549 0.030 1 855 80 80 PHE HA H 4.973 0.030 1 856 80 80 PHE HB2 H 2.782 0.030 2 857 80 80 PHE HB3 H 1.156 0.030 2 858 80 80 PHE HD1 H 7.323 0.030 1 859 80 80 PHE HD2 H 7.323 0.030 1 860 80 80 PHE HE1 H 7.451 0.030 1 861 80 80 PHE HE2 H 7.451 0.030 1 862 80 80 PHE HZ H 7.360 0.030 1 863 80 80 PHE C C 178.025 0.300 1 864 80 80 PHE CA C 55.194 0.300 1 865 80 80 PHE CB C 41.115 0.300 1 866 80 80 PHE CD1 C 132.471 0.300 1 867 80 80 PHE CD2 C 132.471 0.300 1 868 80 80 PHE CE1 C 130.880 0.300 1 869 80 80 PHE CE2 C 130.880 0.300 1 870 80 80 PHE CZ C 128.381 0.300 1 871 80 80 PHE N N 114.878 0.300 1 872 81 81 LYS H H 8.019 0.030 1 873 81 81 LYS HA H 3.939 0.030 1 874 81 81 LYS HB2 H 1.978 0.030 2 875 81 81 LYS HB3 H 1.801 0.030 2 876 81 81 LYS HD2 H 1.571 0.030 1 877 81 81 LYS HD3 H 1.571 0.030 1 878 81 81 LYS HE2 H 2.876 0.030 2 879 81 81 LYS HG2 H 1.351 0.030 1 880 81 81 LYS HG3 H 1.351 0.030 1 881 81 81 LYS C C 176.464 0.300 1 882 81 81 LYS CA C 58.766 0.300 1 883 81 81 LYS CB C 33.045 0.300 1 884 81 81 LYS CD C 29.456 0.300 1 885 81 81 LYS CE C 42.065 0.300 1 886 81 81 LYS CG C 24.451 0.300 1 887 81 81 LYS N N 120.932 0.300 1 888 82 82 SER H H 7.583 0.030 1 889 82 82 SER HA H 4.259 0.030 1 890 82 82 SER HB2 H 4.199 0.030 2 891 82 82 SER HB3 H 3.784 0.030 2 892 82 82 SER C C 175.518 0.300 1 893 82 82 SER CA C 58.934 0.300 1 894 82 82 SER CB C 63.442 0.300 1 895 82 82 SER N N 108.330 0.300 1 896 83 83 TRP H H 7.693 0.030 1 897 83 83 TRP HA H 5.025 0.030 1 898 83 83 TRP HB2 H 3.614 0.030 2 899 83 83 TRP HB3 H 3.126 0.030 2 900 83 83 TRP HD1 H 7.217 0.030 1 901 83 83 TRP HE1 H 11.428 0.030 1 902 83 83 TRP HE3 H 7.972 0.030 1 903 83 83 TRP HH2 H 7.572 0.030 1 904 83 83 TRP HZ2 H 8.558 0.030 1 905 83 83 TRP HZ3 H 8.135 0.030 1 906 83 83 TRP C C 173.755 0.300 1 907 83 83 TRP CA C 54.696 0.300 1 908 83 83 TRP CB C 27.303 0.300 1 909 83 83 TRP CD1 C 125.270 0.300 1 910 83 83 TRP CE3 C 119.751 0.300 1 911 83 83 TRP CH2 C 124.316 0.300 1 912 83 83 TRP CZ2 C 117.114 0.300 1 913 83 83 TRP CZ3 C 123.849 0.300 1 914 83 83 TRP N N 123.699 0.300 1 915 83 83 TRP NE1 N 132.223 0.300 1 916 84 84 PRO HA H 4.422 0.030 1 917 84 84 PRO HB2 H 2.428 0.030 2 918 84 84 PRO HB3 H 1.784 0.030 2 919 84 84 PRO HD2 H 3.989 0.030 2 920 84 84 PRO HD3 H 3.085 0.030 2 921 84 84 PRO HG2 H 2.049 0.030 2 922 84 84 PRO HG3 H 1.876 0.030 2 923 84 84 PRO C C 177.199 0.300 1 924 84 84 PRO CA C 63.687 0.300 1 925 84 84 PRO CB C 31.718 0.300 1 926 84 84 PRO CD C 49.923 0.300 1 927 84 84 PRO CG C 28.259 0.300 1 928 85 85 GLU H H 9.006 0.030 1 929 85 85 GLU HA H 3.907 0.030 1 930 85 85 GLU HB2 H 2.030 0.030 2 931 85 85 GLU HB3 H 1.952 0.030 2 932 85 85 GLU HG2 H 2.291 0.030 1 933 85 85 GLU HG3 H 2.291 0.030 1 934 85 85 GLU C C 177.818 0.300 1 935 85 85 GLU CA C 58.589 0.300 1 936 85 85 GLU CB C 29.372 0.300 1 937 85 85 GLU CG C 35.800 0.300 1 938 85 85 GLU N N 126.908 0.300 1 939 86 86 GLY H H 9.003 0.030 1 940 86 86 GLY HA2 H 4.234 0.030 2 941 86 86 GLY HA3 H 3.637 0.030 2 942 86 86 GLY C C 172.765 0.300 1 943 86 86 GLY CA C 45.185 0.300 1 944 86 86 GLY N N 113.355 0.300 1 945 87 87 HIS H H 7.907 0.030 1 946 87 87 HIS HA H 4.494 0.030 1 947 87 87 HIS HB2 H 3.167 0.030 2 948 87 87 HIS HB3 H 2.739 0.030 2 949 87 87 HIS HD2 H 6.695 0.030 1 950 87 87 HIS HE1 H 7.592 0.030 1 951 87 87 HIS C C 174.583 0.300 1 952 87 87 HIS CA C 57.548 0.300 1 953 87 87 HIS CB C 33.680 0.300 1 954 87 87 HIS CD2 C 115.497 0.300 1 955 87 87 HIS CE1 C 138.584 0.300 1 956 87 87 HIS N N 120.178 0.300 1 957 88 88 PHE H H 8.167 0.030 1 958 88 88 PHE HA H 5.061 0.030 1 959 88 88 PHE HB2 H 3.178 0.030 2 960 88 88 PHE HB3 H 2.779 0.030 2 961 88 88 PHE HD1 H 7.035 0.030 1 962 88 88 PHE HD2 H 7.035 0.030 1 963 88 88 PHE HE1 H 7.054 0.030 1 964 88 88 PHE HE2 H 7.054 0.030 1 965 88 88 PHE HZ H 7.153 0.030 1 966 88 88 PHE C C 175.794 0.300 1 967 88 88 PHE CA C 57.253 0.300 1 968 88 88 PHE CB C 42.352 0.300 1 969 88 88 PHE CD1 C 132.150 0.300 1 970 88 88 PHE CD2 C 132.150 0.300 1 971 88 88 PHE CE1 C 131.117 0.300 1 972 88 88 PHE CE2 C 131.117 0.300 1 973 88 88 PHE CZ C 130.237 0.300 1 974 88 88 PHE N N 124.251 0.300 1 975 89 89 ALA H H 9.978 0.030 1 976 89 89 ALA HA H 5.102 0.030 1 977 89 89 ALA HB H 1.940 0.030 1 978 89 89 ALA C C 177.770 0.300 1 979 89 89 ALA CA C 51.420 0.300 1 980 89 89 ALA CB C 21.710 0.300 1 981 89 89 ALA N N 124.330 0.300 1 982 90 90 THR H H 8.845 0.030 1 983 90 90 THR HA H 5.241 0.030 1 984 90 90 THR HB H 3.901 0.030 1 985 90 90 THR HG2 H 1.109 0.030 1 986 90 90 THR C C 174.333 0.300 1 987 90 90 THR CA C 62.611 0.300 1 988 90 90 THR CB C 69.905 0.300 1 989 90 90 THR CG2 C 21.289 0.300 1 990 90 90 THR N N 116.572 0.300 1 991 91 91 ILE H H 9.585 0.030 1 992 91 91 ILE HA H 4.972 0.030 1 993 91 91 ILE HB H 1.598 0.030 1 994 91 91 ILE HD1 H 0.120 0.030 1 995 91 91 ILE HG12 H 1.277 0.030 2 996 91 91 ILE HG13 H 1.035 0.030 2 997 91 91 ILE HG2 H 0.131 0.030 1 998 91 91 ILE C C 174.169 0.300 1 999 91 91 ILE CA C 58.962 0.300 1 1000 91 91 ILE CB C 40.235 0.300 1 1001 91 91 ILE CD1 C 11.804 0.300 1 1002 91 91 ILE CG1 C 27.551 0.300 1 1003 91 91 ILE CG2 C 17.290 0.300 1 1004 91 91 ILE N N 129.752 0.300 1 1005 92 92 THR H H 9.050 0.030 1 1006 92 92 THR HA H 5.127 0.030 1 1007 92 92 THR HB H 3.952 0.030 1 1008 92 92 THR HG2 H 1.083 0.030 1 1009 92 92 THR C C 173.764 0.300 1 1010 92 92 THR CA C 61.293 0.300 1 1011 92 92 THR CB C 70.446 0.300 1 1012 92 92 THR CG2 C 21.063 0.300 1 1013 92 92 THR N N 122.679 0.300 1 1014 93 93 LEU H H 9.571 0.030 1 1015 93 93 LEU HA H 4.958 0.030 1 1016 93 93 LEU HB2 H 1.565 0.030 2 1017 93 93 LEU HB3 H 0.611 0.030 2 1018 93 93 LEU HD1 H 0.199 0.030 1 1019 93 93 LEU HD2 H 0.234 0.030 1 1020 93 93 LEU HG H 1.136 0.030 1 1021 93 93 LEU C C 175.160 0.300 1 1022 93 93 LEU CA C 52.703 0.300 1 1023 93 93 LEU CB C 43.683 0.300 1 1024 93 93 LEU CD1 C 25.621 0.300 2 1025 93 93 LEU CD2 C 23.452 0.300 2 1026 93 93 LEU CG C 26.548 0.300 1 1027 93 93 LEU N N 127.723 0.300 1 1028 94 94 THR H H 8.649 0.030 1 1029 94 94 THR HA H 4.919 0.030 1 1030 94 94 THR HB H 3.867 0.030 1 1031 94 94 THR HG2 H 1.272 0.030 1 1032 94 94 THR C C 172.562 0.300 1 1033 94 94 THR CA C 61.837 0.300 1 1034 94 94 THR CB C 70.722 0.300 1 1035 94 94 THR CG2 C 21.964 0.300 1 1036 94 94 THR N N 118.241 0.300 1 1037 95 95 PHE H H 8.257 0.030 1 1038 95 95 PHE HA H 4.604 0.030 1 1039 95 95 PHE HB2 H 3.204 0.030 2 1040 95 95 PHE HB3 H 2.399 0.030 2 1041 95 95 PHE HD1 H 6.942 0.030 1 1042 95 95 PHE HD2 H 6.942 0.030 1 1043 95 95 PHE HE1 H 6.811 0.030 1 1044 95 95 PHE HE2 H 6.811 0.030 1 1045 95 95 PHE HZ H 6.521 0.030 1 1046 95 95 PHE C C 174.662 0.300 1 1047 95 95 PHE CA C 56.703 0.300 1 1048 95 95 PHE CB C 40.063 0.300 1 1049 95 95 PHE CD1 C 131.654 0.300 1 1050 95 95 PHE CD2 C 131.654 0.300 1 1051 95 95 PHE CE1 C 130.291 0.300 1 1052 95 95 PHE CE2 C 130.291 0.300 1 1053 95 95 PHE CZ C 128.489 0.300 1 1054 95 95 PHE N N 124.735 0.300 1 1055 96 96 ILE H H 9.044 0.030 1 1056 96 96 ILE HA H 4.393 0.030 1 1057 96 96 ILE HB H 2.095 0.030 1 1058 96 96 ILE HD1 H 0.810 0.030 1 1059 96 96 ILE HG12 H 1.454 0.030 2 1060 96 96 ILE HG13 H 1.147 0.030 2 1061 96 96 ILE HG2 H 0.849 0.030 1 1062 96 96 ILE C C 175.157 0.300 1 1063 96 96 ILE CA C 60.404 0.300 1 1064 96 96 ILE CB C 39.686 0.300 1 1065 96 96 ILE CD1 C 13.006 0.300 1 1066 96 96 ILE CG1 C 27.530 0.300 1 1067 96 96 ILE CG2 C 17.553 0.300 1 1068 96 96 ILE N N 124.769 0.300 1 1069 97 97 ASP H H 8.869 0.030 1 1070 97 97 ASP HA H 4.529 0.030 1 1071 97 97 ASP HB2 H 2.971 0.030 2 1072 97 97 ASP HB3 H 2.649 0.030 2 1073 97 97 ASP C C 176.043 0.300 1 1074 97 97 ASP CA C 55.126 0.300 1 1075 97 97 ASP CB C 41.795 0.300 1 1076 97 97 ASP N N 127.541 0.300 1 1077 98 98 LYS H H 8.699 0.030 1 1078 98 98 LYS HA H 4.583 0.030 1 1079 98 98 LYS HB2 H 1.952 0.030 2 1080 98 98 LYS HB3 H 1.416 0.030 2 1081 98 98 LYS HD2 H 1.586 0.030 2 1082 98 98 LYS HE2 H 2.850 0.030 1 1083 98 98 LYS HE3 H 2.850 0.030 1 1084 98 98 LYS HG2 H 1.424 0.030 2 1085 98 98 LYS HG3 H 1.298 0.030 2 1086 98 98 LYS C C 176.303 0.300 1 1087 98 98 LYS CA C 54.599 0.300 1 1088 98 98 LYS CB C 31.867 0.300 1 1089 98 98 LYS CD C 28.837 0.300 1 1090 98 98 LYS CE C 41.820 0.300 1 1091 98 98 LYS CG C 24.241 0.300 1 1092 98 98 LYS N N 128.454 0.300 1 1093 99 99 ASN H H 8.848 0.030 1 1094 99 99 ASN HA H 4.363 0.030 1 1095 99 99 ASN HB2 H 3.103 0.030 2 1096 99 99 ASN HB3 H 2.745 0.030 2 1097 99 99 ASN HD21 H 7.587 0.030 2 1098 99 99 ASN HD22 H 6.814 0.030 2 1099 99 99 ASN C C 174.472 0.300 1 1100 99 99 ASN CA C 54.631 0.300 1 1101 99 99 ASN CB C 36.714 0.300 1 1102 99 99 ASN N N 119.019 0.300 1 1103 99 99 ASN ND2 N 112.492 0.300 1 1104 100 100 GLY H H 9.043 0.030 1 1105 100 100 GLY HA2 H 4.352 0.030 2 1106 100 100 GLY HA3 H 3.486 0.030 2 1107 100 100 GLY C C 173.386 0.300 1 1108 100 100 GLY CA C 45.030 0.300 1 1109 100 100 GLY N N 109.611 0.300 1 1110 101 101 GLU H H 7.301 0.030 1 1111 101 101 GLU HA H 4.947 0.030 1 1112 101 101 GLU HB2 H 2.005 0.030 2 1113 101 101 GLU HB3 H 1.834 0.030 2 1114 101 101 GLU HG2 H 2.084 0.030 2 1115 101 101 GLU HG3 H 2.050 0.030 2 1116 101 101 GLU C C 175.416 0.300 1 1117 101 101 GLU CA C 54.344 0.300 1 1118 101 101 GLU CB C 32.829 0.300 1 1119 101 101 GLU CG C 36.221 0.300 1 1120 101 101 GLU N N 117.081 0.300 1 1121 102 102 THR H H 9.221 0.030 1 1122 102 102 THR HA H 5.080 0.030 1 1123 102 102 THR HB H 3.637 0.030 1 1124 102 102 THR HG2 H 1.022 0.030 1 1125 102 102 THR C C 173.711 0.300 1 1126 102 102 THR CA C 62.826 0.300 1 1127 102 102 THR CB C 71.490 0.300 1 1128 102 102 THR CG2 C 22.283 0.300 1 1129 102 102 THR N N 117.643 0.300 1 1130 103 103 GLU H H 9.282 0.030 1 1131 103 103 GLU HA H 4.819 0.030 1 1132 103 103 GLU HB2 H 2.003 0.030 2 1133 103 103 GLU HB3 H 1.829 0.030 2 1134 103 103 GLU HG2 H 1.893 0.030 1 1135 103 103 GLU HG3 H 1.893 0.030 1 1136 103 103 GLU C C 173.227 0.300 1 1137 103 103 GLU CA C 55.396 0.300 1 1138 103 103 GLU CB C 32.718 0.300 1 1139 103 103 GLU CG C 37.156 0.300 1 1140 103 103 GLU N N 128.725 0.300 1 1141 104 104 LEU H H 9.247 0.030 1 1142 104 104 LEU HA H 4.851 0.030 1 1143 104 104 LEU HB2 H 1.956 0.030 2 1144 104 104 LEU HB3 H 0.918 0.030 2 1145 104 104 LEU HD1 H -0.023 0.030 1 1146 104 104 LEU HD2 H 0.493 0.030 1 1147 104 104 LEU HG H 1.014 0.030 1 1148 104 104 LEU C C 174.723 0.300 1 1149 104 104 LEU CA C 52.781 0.300 1 1150 104 104 LEU CB C 45.208 0.300 1 1151 104 104 LEU CD1 C 23.951 0.300 2 1152 104 104 LEU CD2 C 27.037 0.300 2 1153 104 104 LEU CG C 27.358 0.300 1 1154 104 104 LEU N N 130.529 0.300 1 1155 105 105 CYS H H 8.609 0.030 1 1156 105 105 CYS HA H 4.896 0.030 1 1157 105 105 CYS HB2 H 2.819 0.030 2 1158 105 105 CYS HB3 H 2.724 0.030 2 1159 105 105 CYS C C 173.187 0.300 1 1160 105 105 CYS CA C 57.010 0.300 1 1161 105 105 CYS CB C 28.211 0.300 1 1162 105 105 CYS N N 124.466 0.300 1 1163 106 106 MET H H 9.415 0.030 1 1164 106 106 MET HA H 4.919 0.030 1 1165 106 106 MET HB2 H 1.878 0.030 2 1166 106 106 MET HB3 H 1.394 0.030 2 1167 106 106 MET HE H 0.463 0.030 1 1168 106 106 MET HG2 H 1.419 0.030 2 1169 106 106 MET HG3 H 1.148 0.030 2 1170 106 106 MET C C 173.770 0.300 1 1171 106 106 MET CA C 54.130 0.300 1 1172 106 106 MET CB C 34.907 0.300 1 1173 106 106 MET CE C 17.041 0.300 1 1174 106 106 MET CG C 32.612 0.300 1 1175 106 106 MET N N 130.049 0.300 1 1176 107 107 GLU H H 8.716 0.030 1 1177 107 107 GLU HA H 5.063 0.030 1 1178 107 107 GLU HB2 H 1.954 0.030 2 1179 107 107 GLU HB3 H 1.858 0.030 2 1180 107 107 GLU HG2 H 2.189 0.030 2 1181 107 107 GLU HG3 H 2.016 0.030 2 1182 107 107 GLU C C 175.048 0.300 1 1183 107 107 GLU CA C 54.948 0.300 1 1184 107 107 GLU CB C 32.761 0.300 1 1185 107 107 GLU CG C 36.759 0.300 1 1186 107 107 GLU N N 126.382 0.300 1 1187 108 108 GLY H H 9.421 0.030 1 1188 108 108 GLY HA2 H 5.332 0.030 2 1189 108 108 GLY HA3 H 2.990 0.030 2 1190 108 108 GLY C C 171.457 0.300 1 1191 108 108 GLY CA C 44.948 0.300 1 1192 108 108 GLY N N 113.066 0.300 1 1193 109 109 ARG H H 9.025 0.030 1 1194 109 109 ARG HA H 5.058 0.030 1 1195 109 109 ARG HB2 H 1.941 0.030 2 1196 109 109 ARG HB3 H 1.817 0.030 2 1197 109 109 ARG HD2 H 3.218 0.030 2 1198 109 109 ARG HD3 H 3.165 0.030 2 1199 109 109 ARG HG2 H 1.621 0.030 1 1200 109 109 ARG HG3 H 1.621 0.030 1 1201 109 109 ARG C C 175.673 0.300 1 1202 109 109 ARG CA C 54.523 0.300 1 1203 109 109 ARG CB C 33.125 0.300 1 1204 109 109 ARG CD C 43.458 0.300 1 1205 109 109 ARG CG C 27.401 0.300 1 1206 109 109 ARG N N 122.196 0.300 1 1207 110 110 GLY HA2 H 4.562 0.030 2 1208 110 110 GLY HA3 H 3.701 0.030 2 1209 110 110 GLY C C 174.332 0.300 1 1210 110 110 GLY CA C 46.263 0.300 1 1211 111 111 ILE H H 7.974 0.030 1 1212 111 111 ILE HA H 3.863 0.030 1 1213 111 111 ILE HB H 2.081 0.030 1 1214 111 111 ILE HD1 H 0.814 0.030 1 1215 111 111 ILE HG12 H 1.557 0.030 2 1216 111 111 ILE HG13 H 1.313 0.030 2 1217 111 111 ILE HG2 H 0.789 0.030 1 1218 111 111 ILE C C 174.043 0.300 1 1219 111 111 ILE CA C 59.565 0.300 1 1220 111 111 ILE CB C 39.196 0.300 1 1221 111 111 ILE CD1 C 15.326 0.300 1 1222 111 111 ILE CG1 C 30.843 0.300 1 1223 111 111 ILE CG2 C 17.178 0.300 1 1224 111 111 ILE N N 123.606 0.300 1 1225 112 112 PRO HA H 4.006 0.030 1 1226 112 112 PRO HB2 H 1.903 0.030 2 1227 112 112 PRO HB3 H 1.122 0.030 2 1228 112 112 PRO HD2 H 2.754 0.030 2 1229 112 112 PRO HD3 H 1.773 0.030 2 1230 112 112 PRO HG2 H 0.582 0.030 2 1231 112 112 PRO HG3 H 0.380 0.030 2 1232 112 112 PRO C C 177.359 0.300 1 1233 112 112 PRO CA C 63.150 0.300 1 1234 112 112 PRO CB C 31.031 0.300 1 1235 112 112 PRO CD C 48.608 0.300 1 1236 112 112 PRO CG C 27.028 0.300 1 1237 113 113 ALA H H 8.614 0.030 1 1238 113 113 ALA HA H 4.184 0.030 1 1239 113 113 ALA HB H 1.256 0.030 1 1240 113 113 ALA C C 176.854 0.300 1 1241 113 113 ALA CA C 57.222 0.300 1 1242 113 113 ALA CB C 16.076 0.300 1 1243 113 113 ALA N N 128.869 0.300 1 1244 114 114 PRO HA H 4.605 0.030 1 1245 114 114 PRO HB2 H 2.425 0.030 2 1246 114 114 PRO HB3 H 1.876 0.030 2 1247 114 114 PRO HD2 H 3.704 0.030 2 1248 114 114 PRO HD3 H 3.286 0.030 2 1249 114 114 PRO HG2 H 1.940 0.030 1 1250 114 114 PRO HG3 H 1.940 0.030 1 1251 114 114 PRO C C 177.323 0.300 1 1252 114 114 PRO CA C 64.987 0.300 1 1253 114 114 PRO CB C 31.433 0.300 1 1254 114 114 PRO CD C 51.003 0.300 1 1255 114 114 PRO CG C 28.083 0.300 1 1256 115 115 GLU H H 7.863 0.030 1 1257 115 115 GLU HA H 4.552 0.030 1 1258 115 115 GLU HB2 H 2.831 0.030 2 1259 115 115 GLU HB3 H 1.825 0.030 2 1260 115 115 GLU HG2 H 2.014 0.030 2 1261 115 115 GLU HG3 H 1.907 0.030 2 1262 115 115 GLU C C 176.983 0.300 1 1263 115 115 GLU CA C 54.959 0.300 1 1264 115 115 GLU CB C 29.780 0.300 1 1265 115 115 GLU CG C 35.693 0.300 1 1266 115 115 GLU N N 113.869 0.300 1 1267 116 116 GLU H H 7.548 0.030 1 1268 116 116 GLU HA H 3.498 0.030 1 1269 116 116 GLU HB2 H 2.512 0.030 2 1270 116 116 GLU HB3 H 2.074 0.030 2 1271 116 116 GLU HG2 H 2.209 0.030 2 1272 116 116 GLU HG3 H 2.056 0.030 2 1273 116 116 GLU C C 176.838 0.300 1 1274 116 116 GLU CA C 61.822 0.300 1 1275 116 116 GLU CB C 29.773 0.300 1 1276 116 116 GLU CG C 35.369 0.300 1 1277 116 116 GLU N N 125.830 0.300 1 1278 117 117 GLU H H 8.693 0.030 1 1279 117 117 GLU HA H 4.137 0.030 1 1280 117 117 GLU HB2 H 2.086 0.030 2 1281 117 117 GLU HB3 H 2.030 0.030 2 1282 117 117 GLU HG2 H 2.276 0.030 1 1283 117 117 GLU HG3 H 2.276 0.030 1 1284 117 117 GLU C C 178.814 0.300 1 1285 117 117 GLU CA C 59.679 0.300 1 1286 117 117 GLU CB C 28.836 0.300 1 1287 117 117 GLU CG C 35.841 0.300 1 1288 117 117 GLU N N 119.636 0.300 1 1289 118 118 ARG H H 8.665 0.030 1 1290 118 118 ARG HA H 4.062 0.030 1 1291 118 118 ARG HB2 H 2.040 0.030 2 1292 118 118 ARG HB3 H 1.719 0.030 2 1293 118 118 ARG HD2 H 3.167 0.030 2 1294 118 118 ARG HD3 H 2.997 0.030 2 1295 118 118 ARG HG2 H 1.686 0.030 2 1296 118 118 ARG HG3 H 1.531 0.030 2 1297 118 118 ARG C C 180.564 0.300 1 1298 118 118 ARG CA C 59.561 0.300 1 1299 118 118 ARG CB C 30.636 0.300 1 1300 118 118 ARG CD C 43.866 0.300 1 1301 118 118 ARG CG C 27.472 0.300 1 1302 118 118 ARG N N 119.938 0.300 1 1303 119 119 THR H H 8.617 0.030 1 1304 119 119 THR HA H 4.430 0.030 1 1305 119 119 THR HB H 4.333 0.030 1 1306 119 119 THR C C 175.709 0.300 1 1307 119 119 THR CA C 68.515 0.300 1 1308 119 119 THR CB C 67.942 0.300 1 1309 119 119 THR CG2 C 21.585 0.300 1 1310 119 119 THR N N 117.533 0.300 1 1311 120 120 ARG H H 8.574 0.030 1 1312 120 120 ARG HA H 3.768 0.030 1 1313 120 120 ARG HB2 H 2.047 0.030 2 1314 120 120 ARG HB3 H 1.934 0.030 2 1315 120 120 ARG HD2 H 3.355 0.030 1 1316 120 120 ARG HD3 H 3.355 0.030 1 1317 120 120 ARG HE H 7.907 0.030 1 1318 120 120 ARG HG2 H 1.699 0.030 2 1319 120 120 ARG HG3 H 1.581 0.030 2 1320 120 120 ARG C C 178.156 0.300 1 1321 120 120 ARG CA C 61.207 0.300 1 1322 120 120 ARG CB C 30.544 0.300 1 1323 120 120 ARG CD C 43.124 0.300 1 1324 120 120 ARG CG C 28.592 0.300 1 1325 120 120 ARG N N 123.715 0.300 1 1326 120 120 ARG NE N 84.173 0.300 1 1327 121 121 GLN H H 8.841 0.030 1 1328 121 121 GLN HA H 4.160 0.030 1 1329 121 121 GLN HB2 H 2.149 0.030 2 1330 121 121 GLN HB3 H 2.075 0.030 2 1331 121 121 GLN HE21 H 7.767 0.030 2 1332 121 121 GLN HE22 H 6.810 0.030 2 1333 121 121 GLN HG2 H 2.647 0.030 2 1334 121 121 GLN HG3 H 2.431 0.030 2 1335 121 121 GLN C C 178.981 0.300 1 1336 121 121 GLN CA C 58.710 0.300 1 1337 121 121 GLN CB C 28.248 0.300 1 1338 121 121 GLN CG C 34.217 0.300 1 1339 121 121 GLN N N 116.051 0.300 1 1340 121 121 GLN NE2 N 111.969 0.300 1 1341 122 122 GLY H H 8.611 0.030 1 1342 122 122 GLY HA2 H 3.868 0.030 2 1343 122 122 GLY C C 175.597 0.300 1 1344 122 122 GLY CA C 47.140 0.300 1 1345 122 122 GLY N N 108.775 0.300 1 1346 123 123 TRP H H 8.534 0.030 1 1347 123 123 TRP HA H 3.980 0.030 1 1348 123 123 TRP HB2 H 2.907 0.030 2 1349 123 123 TRP HB3 H 2.553 0.030 2 1350 123 123 TRP HD1 H 6.872 0.030 1 1351 123 123 TRP HE1 H 5.403 0.030 1 1352 123 123 TRP HE3 H 6.890 0.030 1 1353 123 123 TRP HH2 H 6.328 0.030 1 1354 123 123 TRP HZ2 H 5.817 0.030 1 1355 123 123 TRP HZ3 H 6.287 0.030 1 1356 123 123 TRP C C 178.095 0.300 1 1357 123 123 TRP CB C 27.809 0.300 1 1358 123 123 TRP CD1 C 123.991 0.300 1 1359 123 123 TRP CE3 C 119.257 0.300 1 1360 123 123 TRP CH2 C 123.612 0.300 1 1361 123 123 TRP CZ2 C 113.530 0.300 1 1362 123 123 TRP CZ3 C 120.721 0.300 1 1363 123 123 TRP N N 122.462 0.300 1 1364 123 123 TRP NE1 N 121.953 0.300 1 1365 124 124 GLN H H 8.136 0.030 1 1366 124 124 GLN HA H 3.950 0.030 1 1367 124 124 GLN HB2 H 2.331 0.030 2 1368 124 124 GLN HB3 H 2.202 0.030 2 1369 124 124 GLN HE21 H 7.585 0.030 2 1370 124 124 GLN HE22 H 7.104 0.030 2 1371 124 124 GLN HG2 H 2.586 0.030 2 1372 124 124 GLN HG3 H 2.504 0.030 2 1373 124 124 GLN C C 176.959 0.300 1 1374 124 124 GLN CA C 59.733 0.300 1 1375 124 124 GLN CB C 28.799 0.300 1 1376 124 124 GLN CG C 34.191 0.300 1 1377 124 124 GLN N N 117.540 0.300 1 1378 124 124 GLN NE2 N 111.969 0.300 1 1379 125 125 ARG H H 8.540 0.030 1 1380 125 125 ARG HA H 4.229 0.030 1 1381 125 125 ARG HB2 H 1.767 0.030 2 1382 125 125 ARG HB3 H 1.557 0.030 2 1383 125 125 ARG HD2 H 2.967 0.030 1 1384 125 125 ARG HD3 H 2.967 0.030 1 1385 125 125 ARG HG2 H 1.557 0.030 2 1386 125 125 ARG HG3 H 1.303 0.030 2 1387 125 125 ARG C C 178.452 0.300 1 1388 125 125 ARG CA C 58.850 0.300 1 1389 125 125 ARG CB C 31.215 0.300 1 1390 125 125 ARG CD C 43.427 0.300 1 1391 125 125 ARG CG C 27.056 0.300 1 1392 125 125 ARG N N 116.330 0.300 1 1393 126 126 TYR H H 8.615 0.030 1 1394 126 126 TYR HA H 4.464 0.030 1 1395 126 126 TYR HB2 H 2.795 0.030 2 1396 126 126 TYR HB3 H 2.532 0.030 2 1397 126 126 TYR HD1 H 7.069 0.030 1 1398 126 126 TYR HD2 H 7.069 0.030 1 1399 126 126 TYR HE1 H 6.887 0.030 1 1400 126 126 TYR HE2 H 6.887 0.030 1 1401 126 126 TYR C C 176.880 0.300 1 1402 126 126 TYR CA C 59.541 0.300 1 1403 126 126 TYR CB C 37.554 0.300 1 1404 126 126 TYR CD1 C 132.053 0.300 1 1405 126 126 TYR CD2 C 132.053 0.300 1 1406 126 126 TYR CE1 C 117.931 0.300 1 1407 126 126 TYR CE2 C 117.931 0.300 1 1408 126 126 TYR N N 116.060 0.300 1 1409 127 127 TYR HA H 4.676 0.030 1 1410 127 127 TYR HB2 H 3.272 0.030 2 1411 127 127 TYR HB3 H 2.563 0.030 2 1412 127 127 TYR HD1 H 6.560 0.030 1 1413 127 127 TYR HD2 H 6.560 0.030 1 1414 127 127 TYR HE1 H 6.149 0.030 1 1415 127 127 TYR HE2 H 6.149 0.030 1 1416 127 127 TYR CA C 59.090 0.300 1 1417 127 127 TYR CB C 38.825 0.300 1 1418 127 127 TYR CD1 C 133.225 0.300 1 1419 127 127 TYR CD2 C 133.225 0.300 1 1420 127 127 TYR CE1 C 115.755 0.300 1 1421 127 127 TYR CE2 C 115.755 0.300 1 1422 128 128 PHE HA H 4.664 0.030 1 1423 128 128 PHE HB2 H 3.889 0.030 2 1424 128 128 PHE HB3 H 3.339 0.030 2 1425 128 128 PHE HD1 H 7.416 0.030 1 1426 128 128 PHE HD2 H 7.416 0.030 1 1427 128 128 PHE HE1 H 7.413 0.030 1 1428 128 128 PHE HE2 H 7.413 0.030 1 1429 128 128 PHE HZ H 6.925 0.030 1 1430 128 128 PHE C C 177.503 0.300 1 1431 128 128 PHE CA C 60.012 0.300 1 1432 128 128 PHE CB C 36.517 0.300 1 1433 128 128 PHE CD1 C 130.759 0.300 1 1434 128 128 PHE CD2 C 130.759 0.300 1 1435 128 128 PHE CE1 C 131.268 0.300 1 1436 128 128 PHE CE2 C 131.268 0.300 1 1437 128 128 PHE CZ C 128.502 0.300 1 1438 129 129 GLU H H 9.118 0.030 1 1439 129 129 GLU HA H 4.172 0.030 1 1440 129 129 GLU HB2 H 2.372 0.030 2 1441 129 129 GLU HB3 H 2.241 0.030 2 1442 129 129 GLU HG2 H 2.492 0.030 2 1443 129 129 GLU HG3 H 2.354 0.030 2 1444 129 129 GLU C C 179.626 0.300 1 1445 129 129 GLU CA C 59.529 0.300 1 1446 129 129 GLU CB C 29.372 0.300 1 1447 129 129 GLU CG C 36.678 0.300 1 1448 129 129 GLU N N 118.215 0.300 1 1449 130 130 GLY H H 6.984 0.030 1 1450 130 130 GLY HA2 H 4.117 0.030 2 1451 130 130 GLY HA3 H 3.932 0.030 2 1452 130 130 GLY C C 177.059 0.300 1 1453 130 130 GLY CA C 47.922 0.300 1 1454 130 130 GLY N N 104.100 0.300 1 1455 131 131 ILE H H 8.414 0.030 1 1456 131 131 ILE HA H 3.397 0.030 1 1457 131 131 ILE HB H 1.920 0.030 1 1458 131 131 ILE HD1 H -0.109 0.030 1 1459 131 131 ILE HG12 H 0.724 0.030 2 1460 131 131 ILE HG13 H -0.313 0.030 2 1461 131 131 ILE HG2 H 0.899 0.030 1 1462 131 131 ILE C C 177.899 0.300 1 1463 131 131 ILE CA C 66.515 0.300 1 1464 131 131 ILE CB C 38.180 0.300 1 1465 131 131 ILE CD1 C 15.017 0.300 1 1466 131 131 ILE CG1 C 29.191 0.300 1 1467 131 131 ILE CG2 C 18.579 0.300 1 1468 132 132 LYS H H 8.125 0.030 1 1469 132 132 LYS HA H 3.784 0.030 1 1470 132 132 LYS HB2 H 2.054 0.030 2 1471 132 132 LYS HB3 H 1.869 0.030 2 1472 132 132 LYS HD2 H 1.584 0.030 2 1473 132 132 LYS HD3 H 1.504 0.030 2 1474 132 132 LYS HE2 H 2.550 0.030 2 1475 132 132 LYS HE3 H 1.976 0.030 2 1476 132 132 LYS HG2 H 2.013 0.030 2 1477 132 132 LYS HG3 H 1.084 0.030 2 1478 132 132 LYS C C 179.478 0.300 1 1479 132 132 LYS CA C 62.721 0.300 1 1480 132 132 LYS CB C 32.836 0.300 1 1481 132 132 LYS CD C 29.667 0.300 1 1482 132 132 LYS CE C 42.525 0.300 1 1483 132 132 LYS CG C 28.460 0.300 1 1484 132 132 LYS N N 118.242 0.300 1 1485 133 133 GLN H H 8.663 0.030 1 1486 133 133 GLN HA H 4.119 0.030 1 1487 133 133 GLN HB2 H 2.186 0.030 2 1488 133 133 GLN HB3 H 2.155 0.030 2 1489 133 133 GLN HE21 H 7.570 0.030 2 1490 133 133 GLN HE22 H 6.821 0.030 2 1491 133 133 GLN HG2 H 2.573 0.030 2 1492 133 133 GLN HG3 H 2.486 0.030 2 1493 133 133 GLN C C 178.432 0.300 1 1494 133 133 GLN CA C 58.207 0.300 1 1495 133 133 GLN CB C 28.809 0.300 1 1496 133 133 GLN CG C 34.005 0.300 1 1497 133 133 GLN N N 115.538 0.300 1 1498 133 133 GLN NE2 N 111.828 0.300 1 1499 134 134 THR H H 7.914 0.030 1 1500 134 134 THR HA H 3.775 0.030 1 1501 134 134 THR HB H 3.306 0.030 1 1502 134 134 THR HG2 H 0.219 0.030 1 1503 134 134 THR C C 175.309 0.300 1 1504 134 134 THR CA C 66.775 0.300 1 1505 134 134 THR CB C 68.859 0.300 1 1506 134 134 THR CG2 C 20.264 0.300 1 1507 134 134 THR N N 115.019 0.300 1 1508 135 135 PHE H H 7.294 0.030 1 1509 135 135 PHE HA H 4.573 0.030 1 1510 135 135 PHE HB2 H 2.565 0.030 2 1511 135 135 PHE HB3 H 1.474 0.030 2 1512 135 135 PHE HD1 H 7.282 0.030 1 1513 135 135 PHE HD2 H 7.282 0.030 1 1514 135 135 PHE HE1 H 7.360 0.030 1 1515 135 135 PHE HE2 H 7.360 0.030 1 1516 135 135 PHE HZ H 7.618 0.030 1 1517 135 135 PHE C C 175.520 0.300 1 1518 135 135 PHE CA C 57.206 0.300 1 1519 135 135 PHE CB C 38.164 0.300 1 1520 135 135 PHE CD1 C 131.915 0.300 1 1521 135 135 PHE CD2 C 131.915 0.300 1 1522 135 135 PHE CE1 C 131.245 0.300 1 1523 135 135 PHE CE2 C 131.245 0.300 1 1524 135 135 PHE CZ C 129.393 0.300 1 1525 135 135 PHE N N 114.828 0.300 1 1526 136 136 GLY H H 7.428 0.030 1 1527 136 136 GLY HA2 H 4.134 0.030 2 1528 136 136 GLY HA3 H 4.068 0.030 2 1529 136 136 GLY C C 175.847 0.300 1 1530 136 136 GLY CA C 46.995 0.300 1 1531 136 136 GLY N N 107.604 0.300 1 1532 137 137 TYR H H 7.275 0.030 1 1533 137 137 TYR HA H 5.231 0.030 1 1534 137 137 TYR HB2 H 3.706 0.030 2 1535 137 137 TYR HB3 H 2.939 0.030 2 1536 137 137 TYR HD1 H 6.843 0.030 1 1537 137 137 TYR HD2 H 6.843 0.030 1 1538 137 137 TYR HE1 H 6.575 0.030 1 1539 137 137 TYR HE2 H 6.575 0.030 1 1540 137 137 TYR C C 176.159 0.300 1 1541 137 137 TYR CA C 53.529 0.300 1 1542 137 137 TYR CB C 38.760 0.300 1 1543 137 137 TYR CD1 C 130.779 0.300 1 1544 137 137 TYR CD2 C 130.779 0.300 1 1545 137 137 TYR CE1 C 118.855 0.300 1 1546 137 137 TYR CE2 C 118.855 0.300 1 1547 137 137 TYR N N 115.637 0.300 1 1548 138 138 GLY H H 8.600 0.030 1 1549 138 138 GLY HA2 H 4.200 0.030 2 1550 138 138 GLY HA3 H 4.015 0.030 2 1551 138 138 GLY C C 172.446 0.300 1 1552 138 138 GLY CA C 44.935 0.300 1 1553 138 138 GLY N N 110.394 0.300 1 1554 139 139 ALA H H 8.336 0.030 1 1555 139 139 ALA HA H 4.405 0.030 1 1556 139 139 ALA HB H 1.379 0.030 1 1557 139 139 ALA C C 177.831 0.300 1 1558 139 139 ALA CA C 52.341 0.300 1 1559 139 139 ALA CB C 19.736 0.300 1 1560 139 139 ALA N N 123.350 0.300 1 1561 140 140 SER H H 8.484 0.030 1 1562 140 140 SER HA H 4.498 0.030 1 1563 140 140 SER HB2 H 3.882 0.030 2 1564 140 140 SER C C 174.688 0.300 1 1565 140 140 SER CA C 58.351 0.300 1 1566 140 140 SER CB C 64.101 0.300 1 1567 140 140 SER N N 115.793 0.300 1 1568 141 141 GLY H H 8.346 0.030 1 1569 141 141 GLY HA2 H 4.165 0.030 2 1570 141 141 GLY HA3 H 4.095 0.030 2 1571 141 141 GLY C C 171.835 0.300 1 1572 141 141 GLY CA C 44.688 0.300 1 1573 141 141 GLY N N 110.954 0.300 1 1574 142 142 PRO HA H 4.483 0.030 1 1575 142 142 PRO HB2 H 2.291 0.030 2 1576 142 142 PRO HB3 H 1.971 0.030 2 1577 142 142 PRO HD2 H 3.633 0.030 1 1578 142 142 PRO HD3 H 3.633 0.030 1 1579 142 142 PRO HG2 H 2.020 0.030 2 1580 142 142 PRO C C 177.427 0.300 1 1581 142 142 PRO CA C 63.213 0.300 1 1582 142 142 PRO CB C 32.206 0.300 1 1583 142 142 PRO CD C 49.815 0.300 1 1584 142 142 PRO CG C 27.131 0.300 1 1585 143 143 SER H H 8.574 0.030 1 1586 143 143 SER HA H 4.498 0.030 1 1587 143 143 SER HB2 H 3.907 0.030 2 1588 143 143 SER C C 174.745 0.300 1 1589 143 143 SER CA C 58.398 0.300 1 1590 143 143 SER CB C 63.813 0.300 1 1591 143 143 SER N N 116.634 0.300 1 1592 144 144 SER H H 8.373 0.030 1 1593 144 144 SER HA H 4.486 0.030 1 1594 144 144 SER HB2 H 3.886 0.030 2 1595 144 144 SER C C 173.983 0.300 1 1596 144 144 SER CA C 58.398 0.300 1 1597 144 144 SER CB C 64.093 0.300 1 1598 144 144 SER N N 118.003 0.300 1 1599 145 145 GLY H H 8.058 0.030 1 1600 145 145 GLY C C 179.036 0.300 1 1601 145 145 GLY CA C 46.191 0.300 1 1602 145 145 GLY N N 116.908 0.300 1 stop_ save_