data_25397 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of N-terminal domain from A. ventricosus minor ampullate spidroin (MiSp) at pH 7.2 ; _BMRB_accession_number 25397 _BMRB_flat_file_name bmr25397.str _Entry_type original _Submission_date 2014-12-17 _Accession_date 2014-12-17 _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 Otikovs Martins . . 2 Jaudzems Kristaps . . 3 Chen Gefei . . 4 Nordling Kerstin . . 5 Rising Anna . . 6 Johansson Jan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 695 "13C chemical shifts" 504 "15N chemical shifts" 140 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-08-17 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 25398 'N-terminal domain from A. ventricosus minor ampullate spidroin (MiSp) at pH 5.5' stop_ _Original_release_date 2015-08-17 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR structure of N-terminal domain from A. ventricosus minor ampullate spidroin (MiSp) at pH 7.2 ; _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 Otikovs Martins . . 2 Jaudzems Kristaps . . 3 Chen Gefei . . 4 Nordling Kerstin . . 5 Rising Anna . . 6 Johansson Jan . . stop_ _Journal_abbreviation 'To be Published' _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 'N-terminal domain from A. ventricosus minor ampullate spidroin (MiSp) at pH 7.2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity 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 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 14067.897 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 133 _Mol_residue_sequence ; GSGNSQPIWTNPNAAMTMTN NLVQCASRSGVLTADQMDDM GMMADSVNSQMQKMGPNPPQ HRLRAMNTAMAAEVAEVVAT SPPQSYSAVLNTIGACLRES MMQATGSVDNAFTNEVMQLV KMLSADSANEVST ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 GLY 4 ASN 5 SER 6 GLN 7 PRO 8 ILE 9 TRP 10 THR 11 ASN 12 PRO 13 ASN 14 ALA 15 ALA 16 MET 17 THR 18 MET 19 THR 20 ASN 21 ASN 22 LEU 23 VAL 24 GLN 25 CYS 26 ALA 27 SER 28 ARG 29 SER 30 GLY 31 VAL 32 LEU 33 THR 34 ALA 35 ASP 36 GLN 37 MET 38 ASP 39 ASP 40 MET 41 GLY 42 MET 43 MET 44 ALA 45 ASP 46 SER 47 VAL 48 ASN 49 SER 50 GLN 51 MET 52 GLN 53 LYS 54 MET 55 GLY 56 PRO 57 ASN 58 PRO 59 PRO 60 GLN 61 HIS 62 ARG 63 LEU 64 ARG 65 ALA 66 MET 67 ASN 68 THR 69 ALA 70 MET 71 ALA 72 ALA 73 GLU 74 VAL 75 ALA 76 GLU 77 VAL 78 VAL 79 ALA 80 THR 81 SER 82 PRO 83 PRO 84 GLN 85 SER 86 TYR 87 SER 88 ALA 89 VAL 90 LEU 91 ASN 92 THR 93 ILE 94 GLY 95 ALA 96 CYS 97 LEU 98 ARG 99 GLU 100 SER 101 MET 102 MET 103 GLN 104 ALA 105 THR 106 GLY 107 SER 108 VAL 109 ASP 110 ASN 111 ALA 112 PHE 113 THR 114 ASN 115 GLU 116 VAL 117 MET 118 GLN 119 LEU 120 VAL 121 LYS 122 MET 123 LEU 124 SER 125 ALA 126 ASP 127 SER 128 ALA 129 ASN 130 GLU 131 VAL 132 SER 133 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 25398 entity 100.00 133 100.00 100.00 8.82e-90 PDB 2MX8 "Nmr Structure Of N-terminal Domain From A. Ventricosus Minor Ampullate Spidroin (misp) At Ph 7.2" 100.00 133 100.00 100.00 8.82e-90 PDB 2MX9 "Nmr Structure Of N-terminal Domain From A. Ventricosus Minor Ampullate Spidroin (misp) At Ph 5.5" 100.00 133 100.00 100.00 8.82e-90 GB AFV31615 "minor ampullate spidroin [Araneus ventricosus]" 96.99 1766 100.00 100.00 1.69e-96 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 spiders 182803 Eukaryota Metazoa Araneus ventricosus 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 'recombinant technology' . Escherichia coli BL21(DE3) pET 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 $entity 0.95 mM '[U-99% 13C; U-99% 15N]' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 0.03 % 'natural abundance' 'protease inhibitor cocktail' 0.01 tablet/100mL 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version 2.1b loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.9.0 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_UNIO _Saveframe_category software _Name UNIO _Version 2.0.2 loop_ _Vendor _Address _Electronic_address 'T. Herrmann, F. Fiorito, J. Volk' . . stop_ loop_ _Task 'data analysis' 'peak picking' 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.21 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details 'equipped with HCN cold probe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.085 . M pH 7.2 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 4.77 internal indirect . . . 0.251449530 water H 1 protons ppm 4.77 internal direct . . . 1 water N 15 protons ppm 4.77 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HN(CA)CO' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D 1H-15N 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 entity _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 5 5 SER H H 8.325 0.000 1 2 5 5 SER HA H 4.435 0.000 1 3 5 5 SER HB2 H 3.837 0.000 2 4 5 5 SER HB3 H 3.837 0.000 2 5 5 5 SER C C 174.089 0.000 1 6 5 5 SER CA C 58.194 0.000 1 7 5 5 SER CB C 63.627 0.000 1 8 5 5 SER N N 116.415 0.000 1 9 6 6 GLN H H 8.417 0.000 1 10 6 6 GLN HA H 4.634 0.000 1 11 6 6 GLN HB2 H 2.035 0.000 2 12 6 6 GLN HB3 H 1.857 0.000 2 13 6 6 GLN HG2 H 2.324 0.000 2 14 6 6 GLN HG3 H 2.324 0.000 2 15 6 6 GLN HE21 H 6.875 0.000 2 16 6 6 GLN HE22 H 7.500 0.000 2 17 6 6 GLN C C 173.798 0.000 1 18 6 6 GLN CA C 53.518 0.000 1 19 6 6 GLN CB C 29.017 0.000 1 20 6 6 GLN CG C 33.411 0.000 1 21 6 6 GLN N N 122.629 0.000 1 22 6 6 GLN NE2 N 112.181 0.000 1 23 7 7 PRO HA H 4.422 0.000 1 24 7 7 PRO HB2 H 2.394 0.000 2 25 7 7 PRO HB3 H 2.142 0.000 2 26 7 7 PRO HG2 H 2.080 0.000 2 27 7 7 PRO HG3 H 2.129 0.000 2 28 7 7 PRO HD2 H 3.575 0.000 2 29 7 7 PRO HD3 H 3.900 0.000 2 30 7 7 PRO CA C 62.550 0.000 1 31 7 7 PRO CB C 31.343 0.000 1 32 7 7 PRO CG C 27.656 0.000 1 33 7 7 PRO CD C 50.317 0.000 1 34 8 8 ILE H H 8.619 0.000 1 35 8 8 ILE HA H 4.424 0.000 1 36 8 8 ILE HB H 1.242 0.000 1 37 8 8 ILE HG12 H 0.711 0.000 2 38 8 8 ILE HG13 H 0.861 0.000 2 39 8 8 ILE HG2 H -0.634 0.000 1 40 8 8 ILE HD1 H 0.499 0.000 1 41 8 8 ILE C C 175.228 0.000 1 42 8 8 ILE CA C 62.744 0.000 1 43 8 8 ILE CB C 37.459 0.000 1 44 8 8 ILE CG1 C 28.312 0.000 1 45 8 8 ILE CG2 C 14.826 0.000 1 46 8 8 ILE CD1 C 14.518 0.000 1 47 8 8 ILE N N 124.785 0.000 1 48 9 9 TRP H H 6.092 0.000 1 49 9 9 TRP HA H 4.399 0.000 1 50 9 9 TRP HB2 H 3.520 0.000 2 51 9 9 TRP HB3 H 2.655 0.000 2 52 9 9 TRP HD1 H 7.204 0.000 1 53 9 9 TRP HE1 H 10.771 0.000 1 54 9 9 TRP HE3 H 7.499 0.000 1 55 9 9 TRP HZ2 H 7.343 0.000 1 56 9 9 TRP HZ3 H 6.875 0.000 1 57 9 9 TRP HH2 H 7.235 0.000 1 58 9 9 TRP C C 175.255 0.000 1 59 9 9 TRP CA C 55.572 0.000 1 60 9 9 TRP CB C 30.628 0.000 1 61 9 9 TRP CD1 C 126.774 0.000 1 62 9 9 TRP CE3 C 120.227 0.000 1 63 9 9 TRP CZ2 C 113.683 0.000 1 64 9 9 TRP CZ3 C 121.000 0.000 1 65 9 9 TRP CH2 C 124.909 0.000 1 66 9 9 TRP N N 115.085 0.000 1 67 9 9 TRP NE1 N 130.338 0.000 1 68 10 10 THR H H 7.485 0.000 1 69 10 10 THR HA H 4.247 0.000 1 70 10 10 THR HB H 4.472 0.000 1 71 10 10 THR HG1 H 5.058 0.000 1 72 10 10 THR HG2 H 1.250 0.000 1 73 10 10 THR C C 173.550 0.000 1 74 10 10 THR CA C 62.458 0.000 1 75 10 10 THR CB C 69.351 0.000 1 76 10 10 THR CG2 C 22.400 0.000 1 77 10 10 THR N N 104.080 0.000 1 78 11 11 ASN H H 7.831 0.000 1 79 11 11 ASN HA H 5.225 0.000 1 80 11 11 ASN HB2 H 2.605 0.000 2 81 11 11 ASN HB3 H 3.171 0.000 2 82 11 11 ASN HD21 H 7.728 0.000 2 83 11 11 ASN HD22 H 6.980 0.000 2 84 11 11 ASN CA C 49.657 0.000 1 85 11 11 ASN CB C 38.857 0.000 1 86 11 11 ASN N N 120.167 0.000 1 87 11 11 ASN ND2 N 112.569 0.000 1 88 12 12 PRO HA H 4.283 0.000 1 89 12 12 PRO HB2 H 2.361 0.000 2 90 12 12 PRO HB3 H 2.020 0.000 2 91 12 12 PRO HG2 H 2.150 0.000 2 92 12 12 PRO HG3 H 2.150 0.000 2 93 12 12 PRO HD2 H 3.930 0.000 2 94 12 12 PRO HD3 H 3.668 0.000 2 95 12 12 PRO CA C 65.699 0.000 1 96 12 12 PRO CB C 32.203 0.000 1 97 12 12 PRO CG C 27.681 0.000 1 98 12 12 PRO CD C 50.306 0.000 1 99 13 13 ASN H H 8.325 0.000 1 100 13 13 ASN HA H 4.468 0.000 1 101 13 13 ASN HB2 H 2.804 0.000 2 102 13 13 ASN HB3 H 2.829 0.000 2 103 13 13 ASN HD21 H 7.709 0.000 2 104 13 13 ASN HD22 H 7.001 0.000 2 105 13 13 ASN C C 178.162 0.000 1 106 13 13 ASN CA C 56.545 0.000 1 107 13 13 ASN CB C 38.154 0.000 1 108 13 13 ASN N N 114.683 0.000 1 109 13 13 ASN ND2 N 113.165 0.000 1 110 14 14 ALA H H 7.526 0.000 1 111 14 14 ALA HA H 4.174 0.000 1 112 14 14 ALA HB H 1.328 0.000 1 113 14 14 ALA C C 179.311 0.000 1 114 14 14 ALA CA C 54.562 0.000 1 115 14 14 ALA CB C 18.110 0.000 1 116 14 14 ALA N N 124.198 0.000 1 117 15 15 ALA H H 8.588 0.000 1 118 15 15 ALA HA H 3.574 0.000 1 119 15 15 ALA HB H 1.397 0.000 1 120 15 15 ALA C C 180.242 0.000 1 121 15 15 ALA CA C 55.413 0.000 1 122 15 15 ALA CB C 18.440 0.000 1 123 15 15 ALA N N 120.896 0.000 1 124 16 16 MET H H 8.346 0.000 1 125 16 16 MET HA H 4.454 0.000 1 126 16 16 MET HB2 H 2.185 0.000 2 127 16 16 MET HB3 H 2.094 0.000 2 128 16 16 MET HG2 H 2.475 0.000 2 129 16 16 MET HG3 H 2.767 0.000 2 130 16 16 MET HE H 2.071 0.000 1 131 16 16 MET C C 178.322 0.000 1 132 16 16 MET CA C 58.110 0.000 1 133 16 16 MET CB C 32.140 0.000 1 134 16 16 MET CG C 31.961 0.000 1 135 16 16 MET CE C 16.506 0.000 1 136 16 16 MET N N 117.464 0.000 1 137 17 17 THR H H 7.920 0.000 1 138 17 17 THR HA H 4.002 0.000 1 139 17 17 THR HB H 4.341 0.000 1 140 17 17 THR HG2 H 1.209 0.000 1 141 17 17 THR C C 176.334 0.000 1 142 17 17 THR CA C 66.809 0.000 1 143 17 17 THR CB C 68.252 0.000 1 144 17 17 THR CG2 C 21.121 0.000 1 145 17 17 THR N N 118.267 0.000 1 146 18 18 MET H H 8.508 0.000 1 147 18 18 MET HA H 3.781 0.000 1 148 18 18 MET HB2 H 1.674 0.000 2 149 18 18 MET HB3 H 2.129 0.000 2 150 18 18 MET HG2 H 2.380 0.000 2 151 18 18 MET HG3 H 2.380 0.000 2 152 18 18 MET HE H 1.767 0.000 1 153 18 18 MET C C 177.536 0.000 1 154 18 18 MET CA C 59.838 0.000 1 155 18 18 MET CB C 31.272 0.000 1 156 18 18 MET CG C 31.271 0.000 1 157 18 18 MET CE C 17.045 0.000 1 158 18 18 MET N N 122.052 0.000 1 159 19 19 THR H H 8.386 0.000 1 160 19 19 THR HA H 3.697 0.000 1 161 19 19 THR HB H 4.251 0.000 1 162 19 19 THR HG1 H 4.925 0.000 1 163 19 19 THR HG2 H 1.310 0.000 1 164 19 19 THR C C 176.402 0.000 1 165 19 19 THR CA C 67.379 0.000 1 166 19 19 THR CB C 68.018 0.000 1 167 19 19 THR CG2 C 22.145 0.000 1 168 19 19 THR N N 114.823 0.000 1 169 20 20 ASN H H 8.453 0.000 1 170 20 20 ASN HA H 4.481 0.000 1 171 20 20 ASN HB2 H 2.765 0.000 2 172 20 20 ASN HB3 H 2.947 0.000 2 173 20 20 ASN HD21 H 7.542 0.000 2 174 20 20 ASN HD22 H 6.895 0.000 2 175 20 20 ASN C C 178.657 0.000 1 176 20 20 ASN CA C 56.440 0.000 1 177 20 20 ASN CB C 38.098 0.000 1 178 20 20 ASN N N 119.445 0.000 1 179 20 20 ASN ND2 N 112.041 0.000 1 180 21 21 ASN H H 8.615 0.000 1 181 21 21 ASN HA H 4.370 0.000 1 182 21 21 ASN HB2 H 3.005 0.000 2 183 21 21 ASN HB3 H 2.823 0.000 2 184 21 21 ASN HD21 H 7.432 0.000 2 185 21 21 ASN HD22 H 7.034 0.000 2 186 21 21 ASN C C 177.168 0.000 1 187 21 21 ASN CA C 56.473 0.000 1 188 21 21 ASN CB C 37.517 0.000 1 189 21 21 ASN N N 119.747 0.000 1 190 21 21 ASN ND2 N 111.083 0.000 1 191 22 22 LEU H H 8.608 0.000 1 192 22 22 LEU HA H 3.823 0.000 1 193 22 22 LEU HB2 H 2.370 0.000 2 194 22 22 LEU HB3 H 1.615 0.000 2 195 22 22 LEU HG H 1.402 0.000 1 196 22 22 LEU HD1 H 0.852 0.000 2 197 22 22 LEU HD2 H 0.852 0.000 2 198 22 22 LEU C C 178.031 0.000 1 199 22 22 LEU CA C 59.305 0.000 1 200 22 22 LEU CB C 41.445 0.000 1 201 22 22 LEU CG C 27.322 0.000 1 202 22 22 LEU CD1 C 23.745 0.000 2 203 22 22 LEU CD2 C 23.989 0.000 2 204 22 22 LEU N N 125.132 0.000 1 205 23 23 VAL H H 7.653 0.000 1 206 23 23 VAL HA H 3.328 0.000 1 207 23 23 VAL HB H 2.300 0.000 1 208 23 23 VAL HG1 H 1.128 0.000 2 209 23 23 VAL HG2 H 0.884 0.000 2 210 23 23 VAL C C 178.523 0.000 1 211 23 23 VAL CA C 67.348 0.000 1 212 23 23 VAL CB C 31.628 0.000 1 213 23 23 VAL CG1 C 23.541 0.000 2 214 23 23 VAL CG2 C 21.152 0.000 2 215 23 23 VAL N N 118.539 0.000 1 216 24 24 GLN H H 7.920 0.000 1 217 24 24 GLN HA H 4.048 0.000 1 218 24 24 GLN HB2 H 2.111 0.000 2 219 24 24 GLN HB3 H 2.111 0.000 2 220 24 24 GLN HG2 H 2.400 0.000 2 221 24 24 GLN HG3 H 2.471 0.000 2 222 24 24 GLN HE21 H 6.605 0.000 2 223 24 24 GLN HE22 H 7.367 0.000 2 224 24 24 GLN C C 178.060 0.000 1 225 24 24 GLN CA C 58.841 0.000 1 226 24 24 GLN CB C 28.337 0.000 1 227 24 24 GLN CG C 33.591 0.000 1 228 24 24 GLN N N 119.213 0.000 1 229 24 24 GLN NE2 N 110.621 0.000 1 230 25 25 CYS H H 8.946 0.000 1 231 25 25 CYS HA H 4.144 0.000 1 232 25 25 CYS HB2 H 3.197 0.000 2 233 25 25 CYS HB3 H 3.148 0.000 2 234 25 25 CYS C C 177.183 0.000 1 235 25 25 CYS CA C 59.518 0.000 1 236 25 25 CYS CB C 35.688 0.000 1 237 25 25 CYS N N 120.418 0.000 1 238 26 26 ALA H H 8.602 0.000 1 239 26 26 ALA HA H 3.792 0.000 1 240 26 26 ALA HB H 1.400 0.000 1 241 26 26 ALA C C 180.912 0.000 1 242 26 26 ALA CA C 54.995 0.000 1 243 26 26 ALA CB C 17.515 0.000 1 244 26 26 ALA N N 123.286 0.000 1 245 27 27 SER H H 8.646 0.000 1 246 27 27 SER HA H 4.223 0.000 1 247 27 27 SER HB2 H 4.104 0.000 2 248 27 27 SER HB3 H 4.104 0.000 2 249 27 27 SER C C 176.423 0.000 1 250 27 27 SER CA C 62.126 0.000 1 251 27 27 SER CB C 63.001 0.000 1 252 27 27 SER N N 117.019 0.000 1 253 28 28 ARG H H 8.064 0.000 1 254 28 28 ARG HA H 4.174 0.000 1 255 28 28 ARG HB2 H 1.935 0.000 2 256 28 28 ARG HB3 H 1.935 0.000 2 257 28 28 ARG HG2 H 1.777 0.000 2 258 28 28 ARG HG3 H 1.777 0.000 2 259 28 28 ARG HD2 H 3.226 0.000 2 260 28 28 ARG HD3 H 3.153 0.000 2 261 28 28 ARG C C 177.864 0.000 1 262 28 28 ARG CA C 57.828 0.000 1 263 28 28 ARG CB C 30.316 0.000 1 264 28 28 ARG CG C 27.715 0.000 1 265 28 28 ARG CD C 43.437 0.000 1 266 28 28 ARG N N 118.976 0.000 1 267 29 29 SER H H 7.446 0.000 1 268 29 29 SER HA H 4.173 0.000 1 269 29 29 SER HB2 H 4.050 0.000 2 270 29 29 SER HB3 H 4.050 0.000 2 271 29 29 SER HG H 5.645 0.000 1 272 29 29 SER C C 175.610 0.000 1 273 29 29 SER CA C 60.980 0.000 1 274 29 29 SER CB C 64.190 0.000 1 275 29 29 SER N N 113.744 0.000 1 276 30 30 GLY H H 7.421 0.000 1 277 30 30 GLY HA2 H 4.172 0.000 2 278 30 30 GLY HA3 H 3.989 0.000 2 279 30 30 GLY C C 174.830 0.000 1 280 30 30 GLY CA C 46.299 0.000 1 281 30 30 GLY N N 109.951 0.000 1 282 31 31 VAL H H 7.874 0.000 1 283 31 31 VAL HA H 4.117 0.000 1 284 31 31 VAL HB H 2.117 0.000 1 285 31 31 VAL HG1 H 0.876 0.000 2 286 31 31 VAL HG2 H 0.912 0.000 2 287 31 31 VAL C C 175.718 0.000 1 288 31 31 VAL CA C 62.272 0.000 1 289 31 31 VAL CB C 32.852 0.000 1 290 31 31 VAL CG1 C 21.411 0.000 2 291 31 31 VAL CG2 C 20.775 0.000 2 292 31 31 VAL N N 116.043 0.000 1 293 32 32 LEU H H 8.046 0.000 1 294 32 32 LEU HA H 4.526 0.000 1 295 32 32 LEU HB2 H 1.632 0.000 2 296 32 32 LEU HB3 H 1.632 0.000 2 297 32 32 LEU HG H 1.565 0.000 1 298 32 32 LEU HD1 H 0.821 0.000 2 299 32 32 LEU HD2 H 0.681 0.000 2 300 32 32 LEU C C 177.827 0.000 1 301 32 32 LEU CA C 55.298 0.000 1 302 32 32 LEU CB C 42.126 0.000 1 303 32 32 LEU CG C 29.651 0.000 1 304 32 32 LEU CD1 C 25.653 0.000 2 305 32 32 LEU CD2 C 25.674 0.000 2 306 32 32 LEU N N 121.031 0.000 1 307 33 33 THR H H 9.114 0.000 1 308 33 33 THR HA H 4.317 0.000 1 309 33 33 THR HB H 4.807 0.000 1 310 33 33 THR HG2 H 1.379 0.000 1 311 33 33 THR C C 175.151 0.000 1 312 33 33 THR CA C 60.785 0.000 1 313 33 33 THR CB C 71.141 0.000 1 314 33 33 THR CG2 C 21.757 0.000 1 315 33 33 THR N N 112.877 0.000 1 316 34 34 ALA H H 8.913 0.000 1 317 34 34 ALA HA H 4.085 0.000 1 318 34 34 ALA HB H 1.478 0.000 1 319 34 34 ALA C C 180.344 0.000 1 320 34 34 ALA CA C 55.549 0.000 1 321 34 34 ALA CB C 17.824 0.000 1 322 34 34 ALA N N 123.270 0.000 1 323 35 35 ASP H H 8.196 0.000 1 324 35 35 ASP HA H 4.355 0.000 1 325 35 35 ASP HB2 H 2.500 0.000 2 326 35 35 ASP HB3 H 2.749 0.000 2 327 35 35 ASP C C 178.293 0.000 1 328 35 35 ASP CA C 57.212 0.000 1 329 35 35 ASP CB C 40.149 0.000 1 330 35 35 ASP N N 116.774 0.000 1 331 36 36 GLN H H 7.717 0.000 1 332 36 36 GLN HA H 4.138 0.000 1 333 36 36 GLN HB2 H 1.579 0.000 2 334 36 36 GLN HB3 H 2.495 0.000 2 335 36 36 GLN HG2 H 2.571 0.000 2 336 36 36 GLN HG3 H 2.287 0.000 2 337 36 36 GLN HE21 H 6.703 0.000 2 338 36 36 GLN HE22 H 7.351 0.000 2 339 36 36 GLN C C 179.250 0.000 1 340 36 36 GLN CA C 58.841 0.000 1 341 36 36 GLN CB C 30.583 0.000 1 342 36 36 GLN CG C 35.571 0.000 1 343 36 36 GLN N N 118.724 0.000 1 344 36 36 GLN NE2 N 114.121 0.000 1 345 37 37 MET H H 8.536 0.000 1 346 37 37 MET HA H 4.154 0.000 1 347 37 37 MET HB2 H 2.030 0.000 2 348 37 37 MET HB3 H 2.301 0.000 2 349 37 37 MET HG2 H 2.339 0.000 2 350 37 37 MET HG3 H 2.772 0.000 2 351 37 37 MET HE H 2.080 0.000 1 352 37 37 MET C C 180.178 0.000 1 353 37 37 MET CA C 57.540 0.000 1 354 37 37 MET CB C 30.727 0.000 1 355 37 37 MET CG C 30.996 0.000 1 356 37 37 MET CE C 15.413 0.000 1 357 37 37 MET N N 118.223 0.000 1 358 38 38 ASP H H 8.110 0.000 1 359 38 38 ASP HA H 4.473 0.000 1 360 38 38 ASP HB2 H 2.931 0.000 2 361 38 38 ASP HB3 H 2.751 0.000 2 362 38 38 ASP C C 179.544 0.000 1 363 38 38 ASP CA C 57.514 0.000 1 364 38 38 ASP CB C 39.777 0.000 1 365 38 38 ASP N N 123.761 0.000 1 366 39 39 ASP H H 8.188 0.000 1 367 39 39 ASP HA H 4.430 0.000 1 368 39 39 ASP HB2 H 2.865 0.000 2 369 39 39 ASP HB3 H 2.524 0.000 2 370 39 39 ASP C C 179.806 0.000 1 371 39 39 ASP CA C 57.536 0.000 1 372 39 39 ASP CB C 40.136 0.000 1 373 39 39 ASP N N 122.682 0.000 1 374 40 40 MET H H 8.717 0.000 1 375 40 40 MET HA H 4.308 0.000 1 376 40 40 MET HB2 H 1.957 0.000 2 377 40 40 MET HB3 H 2.507 0.000 2 378 40 40 MET HG2 H 2.489 0.000 2 379 40 40 MET HG3 H 2.789 0.000 2 380 40 40 MET HE H 1.782 0.000 1 381 40 40 MET C C 178.148 0.000 1 382 40 40 MET CA C 57.279 0.000 1 383 40 40 MET CB C 31.276 0.000 1 384 40 40 MET CG C 33.814 0.000 1 385 40 40 MET CE C 16.860 0.000 1 386 40 40 MET N N 121.363 0.000 1 387 41 41 GLY H H 8.042 0.000 1 388 41 41 GLY HA2 H 3.905 0.000 2 389 41 41 GLY HA3 H 4.060 0.000 2 390 41 41 GLY C C 176.547 0.000 1 391 41 41 GLY CA C 47.154 0.000 1 392 41 41 GLY N N 106.940 0.000 1 393 42 42 MET H H 7.734 0.000 1 394 42 42 MET HA H 4.333 0.000 1 395 42 42 MET HB2 H 2.232 0.000 2 396 42 42 MET HB3 H 2.123 0.000 2 397 42 42 MET HG2 H 2.640 0.000 2 398 42 42 MET HG3 H 2.734 0.000 2 399 42 42 MET HE H 2.117 0.000 1 400 42 42 MET C C 178.569 0.000 1 401 42 42 MET CA C 58.186 0.000 1 402 42 42 MET CB C 32.269 0.000 1 403 42 42 MET CG C 32.283 0.000 1 404 42 42 MET CE C 17.190 0.000 1 405 42 42 MET N N 120.905 0.000 1 406 43 43 MET H H 8.120 0.000 1 407 43 43 MET HA H 4.280 0.000 1 408 43 43 MET HB2 H 2.081 0.000 2 409 43 43 MET HB3 H 2.628 0.000 2 410 43 43 MET HG2 H 2.606 0.000 2 411 43 43 MET HG3 H 2.496 0.000 2 412 43 43 MET HE H 2.022 0.000 1 413 43 43 MET C C 177.536 0.000 1 414 43 43 MET CA C 58.437 0.000 1 415 43 43 MET CB C 28.717 0.000 1 416 43 43 MET CG C 31.929 0.000 1 417 43 43 MET CE C 16.513 0.000 1 418 43 43 MET N N 122.664 0.000 1 419 44 44 ALA H H 8.014 0.000 1 420 44 44 ALA HA H 3.834 0.000 1 421 44 44 ALA HB H 1.470 0.000 1 422 44 44 ALA C C 179.108 0.000 1 423 44 44 ALA CA C 55.553 0.000 1 424 44 44 ALA CB C 17.813 0.000 1 425 44 44 ALA N N 122.058 0.000 1 426 45 45 ASP H H 7.701 0.000 1 427 45 45 ASP HA H 4.453 0.000 1 428 45 45 ASP HB2 H 2.751 0.000 2 429 45 45 ASP HB3 H 2.751 0.000 2 430 45 45 ASP C C 179.078 0.000 1 431 45 45 ASP CA C 57.481 0.000 1 432 45 45 ASP CB C 40.972 0.000 1 433 45 45 ASP N N 117.159 0.000 1 434 46 46 SER H H 8.222 0.000 1 435 46 46 SER HA H 4.231 0.000 1 436 46 46 SER HB2 H 3.980 0.000 2 437 46 46 SER HB3 H 4.229 0.000 2 438 46 46 SER C C 178.119 0.000 1 439 46 46 SER CA C 60.800 0.000 1 440 46 46 SER CB C 62.759 0.000 1 441 46 46 SER N N 116.543 0.000 1 442 47 47 VAL H H 8.958 0.000 1 443 47 47 VAL HA H 3.451 0.000 1 444 47 47 VAL HB H 2.169 0.000 1 445 47 47 VAL HG1 H 1.012 0.000 2 446 47 47 VAL HG2 H 1.021 0.000 2 447 47 47 VAL C C 177.915 0.000 1 448 47 47 VAL CA C 66.731 0.000 1 449 47 47 VAL CB C 31.601 0.000 1 450 47 47 VAL CG1 C 21.751 0.000 2 451 47 47 VAL CG2 C 23.431 0.000 2 452 47 47 VAL N N 122.328 0.000 1 453 48 48 ASN H H 8.635 0.000 1 454 48 48 ASN HA H 4.476 0.000 1 455 48 48 ASN HB2 H 2.783 0.000 2 456 48 48 ASN HB3 H 3.078 0.000 2 457 48 48 ASN HD21 H 7.587 0.000 2 458 48 48 ASN HD22 H 6.706 0.000 2 459 48 48 ASN C C 178.329 0.000 1 460 48 48 ASN CA C 56.574 0.000 1 461 48 48 ASN CB C 37.884 0.000 1 462 48 48 ASN N N 118.431 0.000 1 463 48 48 ASN ND2 N 109.516 0.000 1 464 49 49 SER H H 8.207 0.000 1 465 49 49 SER HA H 4.212 0.000 1 466 49 49 SER HB2 H 4.003 0.000 2 467 49 49 SER HB3 H 4.049 0.000 2 468 49 49 SER C C 179.922 0.000 1 469 49 49 SER CA C 61.611 0.000 1 470 49 49 SER CB C 62.741 0.000 1 471 49 49 SER N N 114.623 0.000 1 472 50 50 GLN H H 8.155 0.000 1 473 50 50 GLN HA H 3.937 0.000 1 474 50 50 GLN HB2 H 1.987 0.000 2 475 50 50 GLN HB3 H 1.987 0.000 2 476 50 50 GLN HG2 H 2.498 0.000 2 477 50 50 GLN HG3 H 2.175 0.000 2 478 50 50 GLN HE21 H 6.813 0.000 2 479 50 50 GLN HE22 H 6.813 0.000 2 480 50 50 GLN C C 177.860 0.000 1 481 50 50 GLN CA C 59.208 0.000 1 482 50 50 GLN CB C 29.244 0.000 1 483 50 50 GLN CG C 34.928 0.000 1 484 50 50 GLN N N 121.014 0.000 1 485 50 50 GLN NE2 N 110.975 0.000 1 486 51 51 MET H H 8.548 0.000 1 487 51 51 MET HA H 4.185 0.000 1 488 51 51 MET HB2 H 2.294 0.000 2 489 51 51 MET HB3 H 2.294 0.000 2 490 51 51 MET HG2 H 2.857 0.000 2 491 51 51 MET HG3 H 2.743 0.000 2 492 51 51 MET HE H 2.264 0.000 1 493 51 51 MET C C 179.370 0.000 1 494 51 51 MET CA C 58.493 0.000 1 495 51 51 MET CB C 31.569 0.000 1 496 51 51 MET CG C 31.926 0.000 1 497 51 51 MET CE C 17.483 0.000 1 498 51 51 MET N N 119.917 0.000 1 499 52 52 GLN H H 7.987 0.000 1 500 52 52 GLN HA H 4.073 0.000 1 501 52 52 GLN HB2 H 2.205 0.000 2 502 52 52 GLN HB3 H 2.205 0.000 2 503 52 52 GLN HG2 H 2.645 0.000 2 504 52 52 GLN HG3 H 2.469 0.000 2 505 52 52 GLN HE21 H 7.256 0.000 2 506 52 52 GLN HE22 H 6.858 0.000 2 507 52 52 GLN C C 177.892 0.000 1 508 52 52 GLN CA C 58.483 0.000 1 509 52 52 GLN CB C 28.510 0.000 1 510 52 52 GLN CG C 33.999 0.000 1 511 52 52 GLN N N 119.061 0.000 1 512 52 52 GLN NE2 N 111.196 0.000 1 513 53 53 LYS H H 7.523 0.000 1 514 53 53 LYS HA H 4.222 0.000 1 515 53 53 LYS HB2 H 1.786 0.000 2 516 53 53 LYS HB3 H 1.961 0.000 2 517 53 53 LYS HG2 H 1.454 0.000 2 518 53 53 LYS HG3 H 1.570 0.000 2 519 53 53 LYS HD2 H 1.614 0.000 2 520 53 53 LYS HD3 H 1.614 0.000 2 521 53 53 LYS HE2 H 2.926 0.000 2 522 53 53 LYS HE3 H 2.926 0.000 2 523 53 53 LYS C C 177.406 0.000 1 524 53 53 LYS CA C 56.849 0.000 1 525 53 53 LYS CB C 32.594 0.000 1 526 53 53 LYS CG C 25.039 0.000 1 527 53 53 LYS CD C 28.975 0.000 1 528 53 53 LYS CE C 42.083 0.000 1 529 53 53 LYS N N 117.129 0.000 1 530 54 54 MET H H 7.534 0.000 1 531 54 54 MET HA H 4.102 0.000 1 532 54 54 MET HB2 H 2.006 0.000 2 533 54 54 MET HB3 H 2.292 0.000 2 534 54 54 MET HG2 H 2.510 0.000 2 535 54 54 MET HG3 H 2.752 0.000 2 536 54 54 MET HE H 1.933 0.000 1 537 54 54 MET C C 177.202 0.000 1 538 54 54 MET CA C 58.186 0.000 1 539 54 54 MET CB C 33.845 0.000 1 540 54 54 MET CG C 31.967 0.000 1 541 54 54 MET CE C 17.162 0.000 1 542 54 54 MET N N 118.230 0.000 1 543 55 55 GLY H H 7.765 0.000 1 544 55 55 GLY HA2 H 3.946 0.000 2 545 55 55 GLY HA3 H 4.178 0.000 2 546 55 55 GLY CA C 44.440 0.000 1 547 55 55 GLY N N 105.881 0.000 1 548 56 56 PRO HA H 4.435 0.000 1 549 56 56 PRO HB2 H 2.264 0.000 2 550 56 56 PRO HB3 H 1.924 0.000 2 551 56 56 PRO HG2 H 2.028 0.000 2 552 56 56 PRO HG3 H 2.028 0.000 2 553 56 56 PRO HD2 H 3.534 0.000 2 554 56 56 PRO HD3 H 3.651 0.000 2 555 56 56 PRO CA C 63.087 0.000 1 556 56 56 PRO CB C 32.224 0.000 1 557 56 56 PRO CG C 26.837 0.000 1 558 56 56 PRO CD C 49.340 0.000 1 559 57 57 ASN H H 8.943 0.000 1 560 57 57 ASN HA H 4.768 0.000 1 561 57 57 ASN HB2 H 2.794 0.000 2 562 57 57 ASN HB3 H 2.631 0.000 2 563 57 57 ASN HD21 H 7.659 0.000 2 564 57 57 ASN HD22 H 6.893 0.000 2 565 57 57 ASN CA C 52.344 0.000 1 566 57 57 ASN CB C 38.829 0.000 1 567 57 57 ASN N N 117.016 0.000 1 568 57 57 ASN ND2 N 113.049 0.000 1 569 58 58 PRO HB2 H 2.140 0.000 2 570 58 58 PRO HB3 H 2.140 0.000 2 571 58 58 PRO HG2 H 1.939 0.000 2 572 58 58 PRO HG3 H 1.939 0.000 2 573 58 58 PRO HD2 H 3.504 0.000 2 574 58 58 PRO HD3 H 3.752 0.000 2 575 58 58 PRO CB C 31.260 0.000 1 576 58 58 PRO CG C 27.430 0.000 1 577 58 58 PRO CD C 49.985 0.000 1 578 59 59 PRO HA H 4.590 0.000 1 579 59 59 PRO HB2 H 1.783 0.000 2 580 59 59 PRO HB3 H 2.464 0.000 2 581 59 59 PRO HG2 H 2.147 0.000 2 582 59 59 PRO HG3 H 1.683 0.000 2 583 59 59 PRO HD2 H 3.910 0.000 2 584 59 59 PRO HD3 H 3.388 0.000 2 585 59 59 PRO CA C 61.784 0.000 1 586 59 59 PRO CB C 32.558 0.000 1 587 59 59 PRO CG C 27.662 0.000 1 588 59 59 PRO CD C 50.300 0.000 1 589 61 61 HIS HA H 4.328 0.000 1 590 61 61 HIS HB2 H 3.112 0.000 2 591 61 61 HIS HB3 H 3.240 0.000 2 592 61 61 HIS HD2 H 7.081 0.000 1 593 61 61 HIS HE1 H 7.974 0.000 1 594 61 61 HIS CA C 59.179 0.000 1 595 61 61 HIS CB C 28.989 0.000 1 596 61 61 HIS CD2 C 119.250 0.000 1 597 61 61 HIS CE1 C 138.104 0.000 1 598 62 62 ARG H H 6.829 0.000 1 599 62 62 ARG HA H 4.071 0.000 1 600 62 62 ARG HB2 H 1.788 0.000 2 601 62 62 ARG HB3 H 1.684 0.000 2 602 62 62 ARG HG2 H 1.530 0.000 2 603 62 62 ARG HG3 H 1.397 0.000 2 604 62 62 ARG HD2 H 3.122 0.000 2 605 62 62 ARG HD3 H 3.205 0.000 2 606 62 62 ARG C C 178.308 0.000 1 607 62 62 ARG CA C 57.217 0.000 1 608 62 62 ARG CB C 29.637 0.000 1 609 62 62 ARG CG C 26.731 0.000 1 610 62 62 ARG CD C 42.449 0.000 1 611 62 62 ARG N N 119.417 0.000 1 612 63 63 LEU H H 7.360 0.000 1 613 63 63 LEU HA H 3.889 0.000 1 614 63 63 LEU HB2 H 2.030 0.000 2 615 63 63 LEU HB3 H 1.591 0.000 2 616 63 63 LEU HG H 1.564 0.000 1 617 63 63 LEU HD1 H 0.849 0.000 2 618 63 63 LEU HD2 H 0.903 0.000 2 619 63 63 LEU C C 178.973 0.000 1 620 63 63 LEU CA C 57.859 0.000 1 621 63 63 LEU CB C 41.372 0.000 1 622 63 63 LEU CG C 26.733 0.000 1 623 63 63 LEU CD1 C 24.053 0.000 2 624 63 63 LEU CD2 C 25.731 0.000 2 625 63 63 LEU N N 120.166 0.000 1 626 64 64 ARG H H 8.109 0.000 1 627 64 64 ARG HA H 4.024 0.000 1 628 64 64 ARG HB2 H 1.917 0.000 2 629 64 64 ARG HB3 H 1.842 0.000 2 630 64 64 ARG HG2 H 1.693 0.000 2 631 64 64 ARG HG3 H 1.778 0.000 2 632 64 64 ARG HD2 H 3.220 0.000 2 633 64 64 ARG HD3 H 3.220 0.000 2 634 64 64 ARG C C 179.040 0.000 1 635 64 64 ARG CA C 58.952 0.000 1 636 64 64 ARG CB C 29.624 0.000 1 637 64 64 ARG CG C 27.378 0.000 1 638 64 64 ARG CD C 43.053 0.000 1 639 64 64 ARG N N 118.557 0.000 1 640 65 65 ALA H H 7.677 0.000 1 641 65 65 ALA HA H 4.116 0.000 1 642 65 65 ALA HB H 1.413 0.000 1 643 65 65 ALA C C 179.806 0.000 1 644 65 65 ALA CA C 54.559 0.000 1 645 65 65 ALA CB C 17.865 0.000 1 646 65 65 ALA N N 120.858 0.000 1 647 66 66 MET H H 7.484 0.000 1 648 66 66 MET HA H 4.100 0.000 1 649 66 66 MET HB2 H 1.389 0.000 2 650 66 66 MET HB3 H 1.821 0.000 2 651 66 66 MET HG2 H 1.459 0.000 2 652 66 66 MET HG3 H 0.954 0.000 2 653 66 66 MET HE H 1.468 0.000 1 654 66 66 MET C C 177.740 0.000 1 655 66 66 MET CA C 56.234 0.000 1 656 66 66 MET CB C 31.594 0.000 1 657 66 66 MET CG C 30.048 0.000 1 658 66 66 MET CE C 17.219 0.000 1 659 66 66 MET N N 118.854 0.000 1 660 67 67 ASN H H 7.705 0.000 1 661 67 67 ASN HA H 4.357 0.000 1 662 67 67 ASN HB2 H 3.240 0.000 2 663 67 67 ASN HB3 H 2.717 0.000 2 664 67 67 ASN HD21 H 8.023 0.000 2 665 67 67 ASN HD22 H 6.812 0.000 2 666 67 67 ASN C C 177.401 0.000 1 667 67 67 ASN CA C 56.830 0.000 1 668 67 67 ASN CB C 37.506 0.000 1 669 67 67 ASN N N 118.716 0.000 1 670 67 67 ASN ND2 N 109.346 0.000 1 671 68 68 THR H H 7.822 0.000 1 672 68 68 THR HA H 3.804 0.000 1 673 68 68 THR HB H 4.137 0.000 1 674 68 68 THR HG2 H 1.196 0.000 1 675 68 68 THR C C 175.383 0.000 1 676 68 68 THR CA C 66.082 0.000 1 677 68 68 THR CB C 67.802 0.000 1 678 68 68 THR CG2 C 22.374 0.000 1 679 68 68 THR N N 114.098 0.000 1 680 69 69 ALA H H 8.216 0.000 1 681 69 69 ALA HA H 4.041 0.000 1 682 69 69 ALA HB H 1.406 0.000 1 683 69 69 ALA C C 180.257 0.000 1 684 69 69 ALA CA C 55.240 0.000 1 685 69 69 ALA CB C 17.827 0.000 1 686 69 69 ALA N N 124.664 0.000 1 687 70 70 MET H H 8.136 0.000 1 688 70 70 MET HA H 3.918 0.000 1 689 70 70 MET HB2 H 2.252 0.000 2 690 70 70 MET HB3 H 2.132 0.000 2 691 70 70 MET HG2 H 2.445 0.000 2 692 70 70 MET HG3 H 2.623 0.000 2 693 70 70 MET HE H 2.089 0.000 1 694 70 70 MET C C 177.609 0.000 1 695 70 70 MET CA C 59.333 0.000 1 696 70 70 MET CB C 32.014 0.000 1 697 70 70 MET CG C 33.225 0.000 1 698 70 70 MET CE C 18.779 0.000 1 699 70 70 MET N N 116.287 0.000 1 700 71 71 ALA H H 8.249 0.000 1 701 71 71 ALA HA H 3.755 0.000 1 702 71 71 ALA HB H 1.501 0.000 1 703 71 71 ALA C C 178.948 0.000 1 704 71 71 ALA CA C 54.923 0.000 1 705 71 71 ALA CB C 19.789 0.000 1 706 71 71 ALA N N 119.650 0.000 1 707 72 72 ALA H H 8.686 0.000 1 708 72 72 ALA HA H 3.945 0.000 1 709 72 72 ALA HB H 1.457 0.000 1 710 72 72 ALA C C 180.200 0.000 1 711 72 72 ALA CA C 55.205 0.000 1 712 72 72 ALA CB C 17.840 0.000 1 713 72 72 ALA N N 118.992 0.000 1 714 73 73 GLU H H 7.782 0.000 1 715 73 73 GLU HA H 4.087 0.000 1 716 73 73 GLU HB2 H 2.108 0.000 2 717 73 73 GLU HB3 H 2.066 0.000 2 718 73 73 GLU HG2 H 2.435 0.000 2 719 73 73 GLU HG3 H 2.273 0.000 2 720 73 73 GLU C C 179.952 0.000 1 721 73 73 GLU CA C 59.498 0.000 1 722 73 73 GLU CB C 29.468 0.000 1 723 73 73 GLU CG C 36.044 0.000 1 724 73 73 GLU N N 117.354 0.000 1 725 74 74 VAL H H 8.379 0.000 1 726 74 74 VAL HA H 3.542 0.000 1 727 74 74 VAL HB H 2.129 0.000 1 728 74 74 VAL HG1 H 1.038 0.000 2 729 74 74 VAL HG2 H 0.846 0.000 2 730 74 74 VAL C C 178.133 0.000 1 731 74 74 VAL CA C 66.652 0.000 1 732 74 74 VAL CB C 31.251 0.000 1 733 74 74 VAL CG1 C 23.736 0.000 2 734 74 74 VAL CG2 C 23.085 0.000 2 735 74 74 VAL N N 119.323 0.000 1 736 75 75 ALA H H 9.092 0.000 1 737 75 75 ALA HA H 3.860 0.000 1 738 75 75 ALA HB H 1.533 0.000 1 739 75 75 ALA C C 178.788 0.000 1 740 75 75 ALA CA C 55.265 0.000 1 741 75 75 ALA CB C 19.780 0.000 1 742 75 75 ALA N N 122.115 0.000 1 743 76 76 GLU H H 7.555 0.000 1 744 76 76 GLU HA H 4.006 0.000 1 745 76 76 GLU HB2 H 2.101 0.000 2 746 76 76 GLU HB3 H 2.101 0.000 2 747 76 76 GLU HG2 H 2.384 0.000 2 748 76 76 GLU HG3 H 2.384 0.000 2 749 76 76 GLU C C 178.889 0.000 1 750 76 76 GLU CA C 58.870 0.000 1 751 76 76 GLU CB C 29.017 0.000 1 752 76 76 GLU CG C 35.514 0.000 1 753 76 76 GLU N N 116.179 0.000 1 754 77 77 VAL H H 7.283 0.000 1 755 77 77 VAL HA H 3.921 0.000 1 756 77 77 VAL HB H 2.393 0.000 1 757 77 77 VAL HG1 H 0.875 0.000 2 758 77 77 VAL HG2 H 1.048 0.000 2 759 77 77 VAL C C 179.428 0.000 1 760 77 77 VAL CA C 65.730 0.000 1 761 77 77 VAL CB C 31.609 0.000 1 762 77 77 VAL CG1 C 21.150 0.000 2 763 77 77 VAL CG2 C 21.758 0.000 2 764 77 77 VAL N N 118.320 0.000 1 765 78 78 VAL H H 8.049 0.000 1 766 78 78 VAL HA H 3.229 0.000 1 767 78 78 VAL HB H 2.099 0.000 1 768 78 78 VAL HG1 H 0.700 0.000 2 769 78 78 VAL HG2 H 0.812 0.000 2 770 78 78 VAL C C 178.860 0.000 1 771 78 78 VAL CA C 66.390 0.000 1 772 78 78 VAL CB C 31.274 0.000 1 773 78 78 VAL CG1 C 22.032 0.000 2 774 78 78 VAL CG2 C 22.413 0.000 2 775 78 78 VAL N N 119.155 0.000 1 776 79 79 ALA H H 8.815 0.000 1 777 79 79 ALA HA H 4.394 0.000 1 778 79 79 ALA HB H 1.574 0.000 1 779 79 79 ALA C C 178.299 0.000 1 780 79 79 ALA CA C 54.580 0.000 1 781 79 79 ALA CB C 19.123 0.000 1 782 79 79 ALA N N 120.551 0.000 1 783 80 80 THR H H 7.396 0.000 1 784 80 80 THR HA H 4.465 0.000 1 785 80 80 THR HB H 4.569 0.000 1 786 80 80 THR HG2 H 1.379 0.000 1 787 80 80 THR C C 175.020 0.000 1 788 80 80 THR CA C 61.786 0.000 1 789 80 80 THR CB C 69.341 0.000 1 790 80 80 THR CG2 C 21.753 0.000 1 791 80 80 THR N N 106.474 0.000 1 792 81 81 SER H H 7.898 0.000 1 793 81 81 SER HA H 4.569 0.000 1 794 81 81 SER HB2 H 3.857 0.000 2 795 81 81 SER HB3 H 3.857 0.000 2 796 81 81 SER HG H 5.691 0.000 1 797 81 81 SER CA C 58.138 0.000 1 798 81 81 SER CB C 62.786 0.000 1 799 81 81 SER N N 119.679 0.000 1 800 83 83 PRO HA H 4.281 0.000 1 801 83 83 PRO HB2 H 2.009 0.000 2 802 83 83 PRO HB3 H 2.396 0.000 2 803 83 83 PRO HG2 H 2.180 0.000 2 804 83 83 PRO HG3 H 2.111 0.000 2 805 83 83 PRO HD2 H 3.971 0.000 2 806 83 83 PRO HD3 H 3.779 0.000 2 807 83 83 PRO CA C 65.528 0.000 1 808 83 83 PRO CB C 31.664 0.000 1 809 83 83 PRO CG C 28.240 0.000 1 810 83 83 PRO CD C 50.306 0.000 1 811 84 84 GLN H H 9.186 0.000 1 812 84 84 GLN HA H 4.329 0.000 1 813 84 84 GLN HB2 H 2.191 0.000 2 814 84 84 GLN HB3 H 2.191 0.000 2 815 84 84 GLN HG2 H 2.497 0.000 2 816 84 84 GLN HG3 H 2.572 0.000 2 817 84 84 GLN HE21 H 6.998 0.000 2 818 84 84 GLN HE22 H 7.669 0.000 2 819 84 84 GLN C C 177.013 0.000 1 820 84 84 GLN CA C 57.859 0.000 1 821 84 84 GLN CB C 27.319 0.000 1 822 84 84 GLN CG C 33.254 0.000 1 823 84 84 GLN N N 114.760 0.000 1 824 84 84 GLN NE2 N 112.164 0.000 1 825 85 85 SER H H 8.157 0.000 1 826 85 85 SER HA H 4.920 0.000 1 827 85 85 SER HB2 H 4.135 0.000 2 828 85 85 SER HB3 H 4.135 0.000 2 829 85 85 SER C C 173.128 0.000 1 830 85 85 SER CA C 58.455 0.000 1 831 85 85 SER CB C 64.508 0.000 1 832 85 85 SER N N 114.665 0.000 1 833 86 86 TYR H H 7.438 0.000 1 834 86 86 TYR HA H 3.850 0.000 1 835 86 86 TYR HB2 H 3.107 0.000 2 836 86 86 TYR HB3 H 3.023 0.000 2 837 86 86 TYR HD1 H 7.017 0.000 3 838 86 86 TYR HD2 H 7.017 0.000 3 839 86 86 TYR HE1 H 6.578 0.000 3 840 86 86 TYR HE2 H 6.578 0.000 3 841 86 86 TYR C C 175.776 0.000 1 842 86 86 TYR CA C 62.780 0.000 1 843 86 86 TYR CB C 38.840 0.000 1 844 86 86 TYR CD1 C 132.400 0.000 3 845 86 86 TYR CD2 C 132.400 0.000 3 846 86 86 TYR CE1 C 117.343 0.000 3 847 86 86 TYR CE2 C 117.343 0.000 3 848 86 86 TYR N N 122.845 0.000 1 849 87 87 SER H H 8.953 0.000 1 850 87 87 SER HA H 3.934 0.000 1 851 87 87 SER HB2 H 3.929 0.000 2 852 87 87 SER HB3 H 3.929 0.000 2 853 87 87 SER C C 176.300 0.000 1 854 87 87 SER CA C 62.022 0.000 1 855 87 87 SER CB C 62.137 0.000 1 856 87 87 SER N N 113.287 0.000 1 857 88 88 ALA H H 8.040 0.000 1 858 88 88 ALA HA H 4.210 0.000 1 859 88 88 ALA HB H 1.502 0.000 1 860 88 88 ALA C C 181.290 0.000 1 861 88 88 ALA CA C 54.905 0.000 1 862 88 88 ALA CB C 17.831 0.000 1 863 88 88 ALA N N 125.109 0.000 1 864 89 89 VAL H H 8.643 0.000 1 865 89 89 VAL HA H 3.317 0.000 1 866 89 89 VAL HB H 2.127 0.000 1 867 89 89 VAL HG1 H 0.733 0.000 2 868 89 89 VAL HG2 H 1.100 0.000 2 869 89 89 VAL C C 177.682 0.000 1 870 89 89 VAL CA C 67.313 0.000 1 871 89 89 VAL CB C 31.297 0.000 1 872 89 89 VAL CG1 C 22.051 0.000 2 873 89 89 VAL CG2 C 23.416 0.000 2 874 89 89 VAL N N 122.313 0.000 1 875 90 90 LEU H H 8.366 0.000 1 876 90 90 LEU HA H 3.584 0.000 1 877 90 90 LEU HB2 H 1.126 0.000 2 878 90 90 LEU HB3 H 1.555 0.000 2 879 90 90 LEU HG H 1.331 0.000 1 880 90 90 LEU HD1 H 0.667 0.000 2 881 90 90 LEU HD2 H 0.771 0.000 2 882 90 90 LEU C C 179.340 0.000 1 883 90 90 LEU CA C 58.664 0.000 1 884 90 90 LEU CB C 41.468 0.000 1 885 90 90 LEU CG C 26.659 0.000 1 886 90 90 LEU CD1 C 24.550 0.000 2 887 90 90 LEU CD2 C 25.345 0.000 2 888 90 90 LEU N N 120.674 0.000 1 889 91 91 ASN H H 8.370 0.000 1 890 91 91 ASN HA H 4.388 0.000 1 891 91 91 ASN HB2 H 2.897 0.000 2 892 91 91 ASN HB3 H 2.799 0.000 2 893 91 91 ASN HD21 H 7.591 0.000 2 894 91 91 ASN HD22 H 6.909 0.000 2 895 91 91 ASN C C 178.482 0.000 1 896 91 91 ASN CA C 56.156 0.000 1 897 91 91 ASN CB C 38.186 0.000 1 898 91 91 ASN N N 116.427 0.000 1 899 91 91 ASN ND2 N 112.641 0.000 1 900 92 92 THR H H 8.300 0.000 1 901 92 92 THR HA H 3.970 0.000 1 902 92 92 THR HB H 4.276 0.000 1 903 92 92 THR HG1 H 5.193 0.000 1 904 92 92 THR HG2 H 1.247 0.000 1 905 92 92 THR C C 174.910 0.000 1 906 92 92 THR CA C 67.417 0.000 1 907 92 92 THR CB C 68.325 0.000 1 908 92 92 THR CG2 C 20.121 0.000 1 909 92 92 THR N N 119.681 0.000 1 910 93 93 ILE H H 8.657 0.000 1 911 93 93 ILE HA H 3.441 0.000 1 912 93 93 ILE HB H 2.055 0.000 1 913 93 93 ILE HG12 H 1.267 0.000 2 914 93 93 ILE HG13 H 1.484 0.000 2 915 93 93 ILE HG2 H 0.778 0.000 1 916 93 93 ILE HD1 H 0.609 0.000 1 917 93 93 ILE C C 177.618 0.000 1 918 93 93 ILE CA C 63.777 0.000 1 919 93 93 ILE CB C 35.180 0.000 1 920 93 93 ILE CG1 C 28.299 0.000 1 921 93 93 ILE CG2 C 16.829 0.000 1 922 93 93 ILE CD1 C 9.958 0.000 1 923 93 93 ILE N N 122.233 0.000 1 924 94 94 GLY H H 8.350 0.000 1 925 94 94 GLY HA2 H 3.956 0.000 2 926 94 94 GLY HA3 H 4.036 0.000 2 927 94 94 GLY C C 176.183 0.000 1 928 94 94 GLY CA C 47.404 0.000 1 929 94 94 GLY N N 106.976 0.000 1 930 95 95 ALA H H 8.139 0.000 1 931 95 95 ALA HA H 4.181 0.000 1 932 95 95 ALA HB H 1.528 0.000 1 933 95 95 ALA C C 181.495 0.000 1 934 95 95 ALA CA C 55.227 0.000 1 935 95 95 ALA CB C 17.828 0.000 1 936 95 95 ALA N N 124.719 0.000 1 937 96 96 CYS H H 8.918 0.000 1 938 96 96 CYS HA H 4.686 0.000 1 939 96 96 CYS HB2 H 3.089 0.000 2 940 96 96 CYS HB3 H 2.886 0.000 2 941 96 96 CYS C C 178.337 0.000 1 942 96 96 CYS CA C 56.134 0.000 1 943 96 96 CYS CB C 37.206 0.000 1 944 96 96 CYS N N 116.226 0.000 1 945 97 97 LEU H H 9.326 0.000 1 946 97 97 LEU HA H 4.076 0.000 1 947 97 97 LEU HB2 H 1.697 0.000 2 948 97 97 LEU HB3 H 2.003 0.000 2 949 97 97 LEU HG H 1.708 0.000 1 950 97 97 LEU HD1 H 0.997 0.000 2 951 97 97 LEU HD2 H 0.846 0.000 2 952 97 97 LEU C C 177.682 0.000 1 953 97 97 LEU CA C 58.852 0.000 1 954 97 97 LEU CB C 41.420 0.000 1 955 97 97 LEU CG C 26.941 0.000 1 956 97 97 LEU CD1 C 24.359 0.000 2 957 97 97 LEU CD2 C 26.044 0.000 2 958 97 97 LEU N N 127.985 0.000 1 959 98 98 ARG H H 7.570 0.000 1 960 98 98 ARG HA H 3.950 0.000 1 961 98 98 ARG HB2 H 1.981 0.000 2 962 98 98 ARG HB3 H 1.981 0.000 2 963 98 98 ARG HG2 H 1.529 0.000 2 964 98 98 ARG HG3 H 1.933 0.000 2 965 98 98 ARG HD2 H 3.266 0.000 2 966 98 98 ARG HD3 H 3.266 0.000 2 967 98 98 ARG C C 178.351 0.000 1 968 98 98 ARG CA C 60.487 0.000 1 969 98 98 ARG CB C 29.965 0.000 1 970 98 98 ARG CG C 28.268 0.000 1 971 98 98 ARG CD C 43.088 0.000 1 972 98 98 ARG N N 118.461 0.000 1 973 99 99 GLU H H 8.158 0.000 1 974 99 99 GLU HA H 3.996 0.000 1 975 99 99 GLU HB2 H 2.157 0.000 2 976 99 99 GLU HB3 H 2.079 0.000 2 977 99 99 GLU HG2 H 2.320 0.000 2 978 99 99 GLU HG3 H 2.159 0.000 2 979 99 99 GLU C C 179.014 0.000 1 980 99 99 GLU CA C 59.495 0.000 1 981 99 99 GLU CB C 30.223 0.000 1 982 99 99 GLU CG C 36.228 0.000 1 983 99 99 GLU N N 118.098 0.000 1 984 100 100 SER H H 8.487 0.000 1 985 100 100 SER HA H 4.238 0.000 1 986 100 100 SER HG H 4.714 0.000 1 987 100 100 SER C C 176.498 0.000 1 988 100 100 SER CA C 62.394 0.000 1 989 100 100 SER N N 115.378 0.000 1 990 101 101 MET H H 8.269 0.000 1 991 101 101 MET HA H 4.083 0.000 1 992 101 101 MET HB2 H 2.290 0.000 2 993 101 101 MET HB3 H 2.290 0.000 2 994 101 101 MET HG2 H 2.584 0.000 2 995 101 101 MET HG3 H 2.779 0.000 2 996 101 101 MET HE H 1.886 0.000 1 997 101 101 MET C C 178.898 0.000 1 998 101 101 MET CA C 59.197 0.000 1 999 101 101 MET CB C 32.207 0.000 1 1000 101 101 MET CG C 33.584 0.000 1 1001 101 101 MET CE C 18.485 0.000 1 1002 101 101 MET N N 122.252 0.000 1 1003 102 102 MET H H 8.031 0.000 1 1004 102 102 MET HA H 4.094 0.000 1 1005 102 102 MET HB2 H 2.020 0.000 2 1006 102 102 MET HB3 H 2.201 0.000 2 1007 102 102 MET HG2 H 2.474 0.000 2 1008 102 102 MET HG3 H 2.388 0.000 2 1009 102 102 MET HE H 1.999 0.000 1 1010 102 102 MET C C 179.821 0.000 1 1011 102 102 MET CA C 58.158 0.000 1 1012 102 102 MET CB C 31.331 0.000 1 1013 102 102 MET CG C 31.610 0.000 1 1014 102 102 MET CE C 16.847 0.000 1 1015 102 102 MET N N 122.149 0.000 1 1016 103 103 GLN H H 8.361 0.000 1 1017 103 103 GLN HA H 3.963 0.000 1 1018 103 103 GLN HB2 H 1.958 0.000 2 1019 103 103 GLN HB3 H 2.090 0.000 2 1020 103 103 GLN HG2 H 2.448 0.000 2 1021 103 103 GLN HG3 H 2.406 0.000 2 1022 103 103 GLN HE21 H 7.364 0.000 2 1023 103 103 GLN HE22 H 6.859 0.000 2 1024 103 103 GLN C C 177.609 0.000 1 1025 103 103 GLN CA C 58.193 0.000 1 1026 103 103 GLN CB C 28.373 0.000 1 1027 103 103 GLN CG C 33.579 0.000 1 1028 103 103 GLN N N 119.006 0.000 1 1029 103 103 GLN NE2 N 111.194 0.000 1 1030 104 104 ALA H H 7.903 0.000 1 1031 104 104 ALA HA H 4.207 0.000 1 1032 104 104 ALA HB H 1.496 0.000 1 1033 104 104 ALA C C 178.715 0.000 1 1034 104 104 ALA CA C 54.264 0.000 1 1035 104 104 ALA CB C 20.772 0.000 1 1036 104 104 ALA N N 117.647 0.000 1 1037 105 105 THR H H 8.188 0.000 1 1038 105 105 THR HA H 4.686 0.000 1 1039 105 105 THR HB H 4.666 0.000 1 1040 105 105 THR HG2 H 1.093 0.000 1 1041 105 105 THR C C 175.805 0.000 1 1042 105 105 THR CA C 61.963 0.000 1 1043 105 105 THR CB C 72.610 0.000 1 1044 105 105 THR CG2 C 21.431 0.000 1 1045 105 105 THR N N 103.227 0.000 1 1046 106 106 GLY H H 8.361 0.000 1 1047 106 106 GLY HA2 H 4.334 0.000 2 1048 106 106 GLY HA3 H 3.845 0.000 2 1049 106 106 GLY C C 173.230 0.000 1 1050 106 106 GLY CA C 45.684 0.000 1 1051 106 106 GLY N N 112.695 0.000 1 1052 107 107 SER H H 8.026 0.000 1 1053 107 107 SER HA H 4.606 0.000 1 1054 107 107 SER HB2 H 3.690 0.000 2 1055 107 107 SER HB3 H 3.690 0.000 2 1056 107 107 SER C C 171.751 0.000 1 1057 107 107 SER CA C 57.159 0.000 1 1058 107 107 SER CB C 65.115 0.000 1 1059 107 107 SER N N 114.659 0.000 1 1060 108 108 VAL H H 8.148 0.000 1 1061 108 108 VAL HA H 3.988 0.000 1 1062 108 108 VAL HB H 1.991 0.000 1 1063 108 108 VAL HG1 H 0.947 0.000 2 1064 108 108 VAL HG2 H 0.877 0.000 2 1065 108 108 VAL C C 175.136 0.000 1 1066 108 108 VAL CA C 62.038 0.000 1 1067 108 108 VAL CB C 33.351 0.000 1 1068 108 108 VAL CG1 C 21.457 0.000 2 1069 108 108 VAL CG2 C 21.747 0.000 2 1070 108 108 VAL N N 117.443 0.000 1 1071 109 109 ASP H H 7.712 0.000 1 1072 109 109 ASP HA H 4.723 0.000 1 1073 109 109 ASP HB2 H 2.505 0.000 2 1074 109 109 ASP HB3 H 2.888 0.000 2 1075 109 109 ASP C C 175.994 0.000 1 1076 109 109 ASP CA C 52.813 0.000 1 1077 109 109 ASP CB C 41.005 0.000 1 1078 109 109 ASP N N 125.236 0.000 1 1079 110 110 ASN HA H 4.621 0.000 1 1080 110 110 ASN HB2 H 2.721 0.000 2 1081 110 110 ASN HB3 H 2.721 0.000 2 1082 110 110 ASN HD21 H 6.961 0.000 2 1083 110 110 ASN HD22 H 7.665 0.000 2 1084 110 110 ASN CA C 55.470 0.000 1 1085 110 110 ASN CB C 38.840 0.000 1 1086 110 110 ASN N N 113.565 0.000 1 1087 110 110 ASN ND2 N 113.518 0.000 1 1088 111 111 ALA H H 8.320 0.000 1 1089 111 111 ALA HA H 4.199 0.000 1 1090 111 111 ALA HB H 1.539 0.000 1 1091 111 111 ALA C C 180.403 0.000 1 1092 111 111 ALA CA C 55.198 0.000 1 1093 111 111 ALA CB C 17.848 0.000 1 1094 111 111 ALA N N 122.758 0.000 1 1095 112 112 PHE H H 7.883 0.000 1 1096 112 112 PHE HA H 4.412 0.000 1 1097 112 112 PHE HB2 H 2.920 0.000 2 1098 112 112 PHE HB3 H 3.268 0.000 2 1099 112 112 PHE HD1 H 7.251 0.000 3 1100 112 112 PHE HD2 H 7.251 0.000 3 1101 112 112 PHE HE1 H 7.288 0.000 3 1102 112 112 PHE HE2 H 7.288 0.000 3 1103 112 112 PHE HZ H 7.053 0.000 1 1104 112 112 PHE C C 176.609 0.000 1 1105 112 112 PHE CA C 60.495 0.000 1 1106 112 112 PHE CB C 39.393 0.000 1 1107 112 112 PHE CD1 C 131.478 0.000 3 1108 112 112 PHE CD2 C 131.478 0.000 3 1109 112 112 PHE CE1 C 130.572 0.000 3 1110 112 112 PHE CE2 C 130.572 0.000 3 1111 112 112 PHE CZ C 128.650 0.000 1 1112 112 112 PHE N N 120.062 0.000 1 1113 113 113 THR H H 8.238 0.000 1 1114 113 113 THR HA H 3.451 0.000 1 1115 113 113 THR HB H 4.130 0.000 1 1116 113 113 THR HG2 H 1.232 0.000 1 1117 113 113 THR C C 176.736 0.000 1 1118 113 113 THR CA C 66.387 0.000 1 1119 113 113 THR CB C 67.442 0.000 1 1120 113 113 THR CG2 C 23.024 0.000 1 1121 113 113 THR N N 111.774 0.000 1 1122 114 114 ASN H H 8.312 0.000 1 1123 114 114 ASN HA H 4.385 0.000 1 1124 114 114 ASN HB2 H 2.936 0.000 2 1125 114 114 ASN HB3 H 2.752 0.000 2 1126 114 114 ASN HD21 H 6.933 0.000 2 1127 114 114 ASN HD22 H 7.658 0.000 2 1128 114 114 ASN C C 177.557 0.000 1 1129 114 114 ASN CA C 55.891 0.000 1 1130 114 114 ASN CB C 37.829 0.000 1 1131 114 114 ASN N N 118.959 0.000 1 1132 114 114 ASN ND2 N 112.614 0.000 1 1133 115 115 GLU H H 7.838 0.000 1 1134 115 115 GLU HA H 4.001 0.000 1 1135 115 115 GLU HB2 H 2.075 0.000 2 1136 115 115 GLU HB3 H 2.192 0.000 2 1137 115 115 GLU HG2 H 2.066 0.000 2 1138 115 115 GLU HG3 H 2.317 0.000 2 1139 115 115 GLU C C 178.919 0.000 1 1140 115 115 GLU CA C 59.762 0.000 1 1141 115 115 GLU CB C 29.294 0.000 1 1142 115 115 GLU CG C 36.178 0.000 1 1143 115 115 GLU N N 121.592 0.000 1 1144 116 116 VAL H H 8.077 0.000 1 1145 116 116 VAL HA H 3.375 0.000 1 1146 116 116 VAL HB H 1.664 0.000 1 1147 116 116 VAL HG1 H 0.473 0.000 2 1148 116 116 VAL HG2 H 0.654 0.000 2 1149 116 116 VAL C C 178.031 0.000 1 1150 116 116 VAL CA C 67.015 0.000 1 1151 116 116 VAL CB C 31.622 0.000 1 1152 116 116 VAL CG1 C 22.621 0.000 2 1153 116 116 VAL CG2 C 20.439 0.000 2 1154 116 116 VAL N N 117.799 0.000 1 1155 117 117 MET H H 8.220 0.000 1 1156 117 117 MET HA H 4.473 0.000 1 1157 117 117 MET HB2 H 1.962 0.000 2 1158 117 117 MET HB3 H 2.202 0.000 2 1159 117 117 MET HG2 H 2.633 0.000 2 1160 117 117 MET HG3 H 2.807 0.000 2 1161 117 117 MET HE H 1.860 0.000 1 1162 117 117 MET C C 179.922 0.000 1 1163 117 117 MET CA C 55.878 0.000 1 1164 117 117 MET CB C 28.429 0.000 1 1165 117 117 MET CG C 31.584 0.000 1 1166 117 117 MET CE C 14.824 0.000 1 1167 117 117 MET N N 114.677 0.000 1 1168 118 118 GLN H H 8.395 0.000 1 1169 118 118 GLN HA H 4.094 0.000 1 1170 118 118 GLN HB2 H 2.216 0.000 2 1171 118 118 GLN HB3 H 2.128 0.000 2 1172 118 118 GLN HG2 H 2.449 0.000 2 1173 118 118 GLN HG3 H 2.449 0.000 2 1174 118 118 GLN HE21 H 7.475 0.000 2 1175 118 118 GLN HE22 H 6.876 0.000 2 1176 118 118 GLN C C 178.948 0.000 1 1177 118 118 GLN CA C 58.982 0.000 1 1178 118 118 GLN CB C 27.945 0.000 1 1179 118 118 GLN CG C 33.623 0.000 1 1180 118 118 GLN N N 121.248 0.000 1 1181 118 118 GLN NE2 N 112.125 0.000 1 1182 119 119 LEU H H 7.701 0.000 1 1183 119 119 LEU HA H 4.124 0.000 1 1184 119 119 LEU HB2 H 2.017 0.000 2 1185 119 119 LEU HB3 H 1.280 0.000 2 1186 119 119 LEU HG H 1.809 0.000 1 1187 119 119 LEU HD1 H 0.857 0.000 2 1188 119 119 LEU HD2 H 0.873 0.000 2 1189 119 119 LEU C C 178.773 0.000 1 1190 119 119 LEU CA C 57.841 0.000 1 1191 119 119 LEU CB C 42.275 0.000 1 1192 119 119 LEU CG C 27.004 0.000 1 1193 119 119 LEU CD1 C 25.658 0.000 2 1194 119 119 LEU CD2 C 23.420 0.000 2 1195 119 119 LEU N N 120.802 0.000 1 1196 120 120 VAL H H 8.846 0.000 1 1197 120 120 VAL HA H 4.482 0.000 1 1198 120 120 VAL HB H 2.252 0.000 1 1199 120 120 VAL HG1 H 0.739 0.000 2 1200 120 120 VAL HG2 H 1.158 0.000 2 1201 120 120 VAL C C 179.257 0.000 1 1202 120 120 VAL CA C 66.716 0.000 1 1203 120 120 VAL CB C 31.492 0.000 1 1204 120 120 VAL CG1 C 22.109 0.000 2 1205 120 120 VAL CG2 C 23.410 0.000 2 1206 120 120 VAL N N 119.468 0.000 1 1207 121 121 LYS H H 8.148 0.000 1 1208 121 121 LYS HA H 3.813 0.000 1 1209 121 121 LYS HB2 H 1.912 0.000 2 1210 121 121 LYS HB3 H 1.993 0.000 2 1211 121 121 LYS HG2 H 1.419 0.000 2 1212 121 121 LYS HG3 H 1.571 0.000 2 1213 121 121 LYS HD2 H 1.689 0.000 2 1214 121 121 LYS HD3 H 1.689 0.000 2 1215 121 121 LYS HE2 H 2.926 0.000 2 1216 121 121 LYS HE3 H 2.926 0.000 2 1217 121 121 LYS C C 177.867 0.000 1 1218 121 121 LYS CA C 60.135 0.000 1 1219 121 121 LYS CB C 32.303 0.000 1 1220 121 121 LYS CG C 25.347 0.000 1 1221 121 121 LYS CD C 29.331 0.000 1 1222 121 121 LYS CE C 41.919 0.000 1 1223 121 121 LYS N N 120.874 0.000 1 1224 122 122 MET H H 7.940 0.000 1 1225 122 122 MET HA H 4.133 0.000 1 1226 122 122 MET HB2 H 2.179 0.000 2 1227 122 122 MET HB3 H 2.214 0.000 2 1228 122 122 MET HG2 H 2.545 0.000 2 1229 122 122 MET HG3 H 2.729 0.000 2 1230 122 122 MET HE H 2.056 0.000 1 1231 122 122 MET C C 178.860 0.000 1 1232 122 122 MET CA C 58.824 0.000 1 1233 122 122 MET CB C 33.272 0.000 1 1234 122 122 MET CG C 31.673 0.000 1 1235 122 122 MET CE C 17.103 0.000 1 1236 122 122 MET N N 117.604 0.000 1 1237 123 123 LEU H H 8.551 0.000 1 1238 123 123 LEU HA H 4.226 0.000 1 1239 123 123 LEU HB2 H 1.712 0.000 2 1240 123 123 LEU HB3 H 1.484 0.000 2 1241 123 123 LEU HG H 1.874 0.000 1 1242 123 123 LEU HD1 H 0.753 0.000 2 1243 123 123 LEU HD2 H 0.860 0.000 2 1244 123 123 LEU C C 177.958 0.000 1 1245 123 123 LEU CA C 56.215 0.000 1 1246 123 123 LEU CB C 42.084 0.000 1 1247 123 123 LEU CG C 26.987 0.000 1 1248 123 123 LEU CD1 C 25.096 0.000 2 1249 123 123 LEU CD2 C 22.090 0.000 2 1250 123 123 LEU N N 116.677 0.000 1 1251 124 124 SER H H 7.790 0.000 1 1252 124 124 SER HA H 4.578 0.000 1 1253 124 124 SER HB2 H 3.985 0.000 2 1254 124 124 SER HB3 H 4.118 0.000 2 1255 124 124 SER HG H 5.705 0.000 1 1256 124 124 SER C C 173.870 0.000 1 1257 124 124 SER CA C 58.498 0.000 1 1258 124 124 SER CB C 64.753 0.000 1 1259 124 124 SER N N 111.671 0.000 1 1260 125 125 ALA H H 7.458 0.000 1 1261 125 125 ALA HA H 4.177 0.000 1 1262 125 125 ALA HB H 1.439 0.000 1 1263 125 125 ALA C C 177.842 0.000 1 1264 125 125 ALA CA C 53.338 0.000 1 1265 125 125 ALA CB C 19.216 0.000 1 1266 125 125 ALA N N 125.152 0.000 1 1267 126 126 ASP H H 8.314 0.000 1 1268 126 126 ASP HA H 4.537 0.000 1 1269 126 126 ASP HB2 H 2.689 0.000 2 1270 126 126 ASP HB3 H 2.615 0.000 2 1271 126 126 ASP C C 177.042 0.000 1 1272 126 126 ASP CA C 54.785 0.000 1 1273 126 126 ASP CB C 40.851 0.000 1 1274 126 126 ASP N N 119.203 0.000 1 1275 127 127 SER H H 8.191 0.000 1 1276 127 127 SER HA H 4.353 0.000 1 1277 127 127 SER HB2 H 3.892 0.000 2 1278 127 127 SER HB3 H 3.892 0.000 2 1279 127 127 SER C C 174.525 0.000 1 1280 127 127 SER CA C 58.981 0.000 1 1281 127 127 SER CB C 63.460 0.000 1 1282 127 127 SER N N 116.513 0.000 1 1283 128 128 ALA H H 8.079 0.000 1 1284 128 128 ALA HA H 4.183 0.000 1 1285 128 128 ALA HB H 1.299 0.000 1 1286 128 128 ALA C C 177.522 0.000 1 1287 128 128 ALA CA C 52.610 0.000 1 1288 128 128 ALA CB C 18.807 0.000 1 1289 128 128 ALA N N 124.465 0.000 1 1290 129 129 ASN H H 8.058 0.000 1 1291 129 129 ASN HA H 4.652 0.000 1 1292 129 129 ASN HB2 H 2.777 0.000 2 1293 129 129 ASN HB3 H 2.692 0.000 2 1294 129 129 ASN HD21 H 7.613 0.000 2 1295 129 129 ASN HD22 H 6.887 0.000 2 1296 129 129 ASN C C 175.005 0.000 1 1297 129 129 ASN CA C 53.179 0.000 1 1298 129 129 ASN CB C 39.141 0.000 1 1299 129 129 ASN N N 116.793 0.000 1 1300 129 129 ASN ND2 N 113.132 0.000 1 1301 130 130 GLU H H 8.232 0.000 1 1302 130 130 GLU HA H 4.296 0.000 1 1303 130 130 GLU HB2 H 1.928 0.000 2 1304 130 130 GLU HB3 H 2.034 0.000 2 1305 130 130 GLU HG2 H 2.206 0.000 2 1306 130 130 GLU HG3 H 2.260 0.000 2 1307 130 130 GLU C C 176.285 0.000 1 1308 130 130 GLU CA C 56.427 0.000 1 1309 130 130 GLU CB C 30.288 0.000 1 1310 130 130 GLU CG C 36.201 0.000 1 1311 130 130 GLU N N 121.148 0.000 1 1312 131 131 VAL H H 8.207 0.000 1 1313 131 131 VAL HA H 4.171 0.000 1 1314 131 131 VAL HB H 2.085 0.000 1 1315 131 131 VAL HG1 H 0.934 0.000 2 1316 131 131 VAL HG2 H 0.934 0.000 2 1317 131 131 VAL C C 176.083 0.000 1 1318 131 131 VAL CA C 62.104 0.000 1 1319 131 131 VAL CB C 32.642 0.000 1 1320 131 131 VAL CG1 C 21.106 0.000 2 1321 131 131 VAL CG2 C 20.445 0.000 2 1322 131 131 VAL N N 121.293 0.000 1 1323 132 132 SER H H 8.455 0.000 1 1324 132 132 SER HA H 4.562 0.000 1 1325 132 132 SER HB2 H 3.891 0.000 2 1326 132 132 SER HB3 H 3.891 0.000 2 1327 132 132 SER C C 173.928 0.000 1 1328 132 132 SER CA C 58.219 0.000 1 1329 132 132 SER CB C 63.122 0.000 1 1330 132 132 SER N N 120.475 0.000 1 1331 133 133 THR H H 7.874 0.000 1 1332 133 133 THR HA H 4.159 0.000 1 1333 133 133 THR HB H 4.246 0.000 1 1334 133 133 THR HG2 H 1.162 0.000 1 1335 133 133 THR C C 179.253 0.000 1 1336 133 133 THR CA C 63.068 0.000 1 1337 133 133 THR CB C 70.533 0.000 1 1338 133 133 THR CG2 C 21.816 0.000 1 1339 133 133 THR N N 121.180 0.000 1 stop_ save_