data_19579 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of C-terminal domain from A. ventricosus minor ampullate spidroin (MiSp) ; _BMRB_accession_number 19579 _BMRB_flat_file_name bmr19579.str _Entry_type original _Submission_date 2013-10-24 _Accession_date 2013-10-24 _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 Andersson Marlene . . 4 Chen Gefei . . 5 Landreh Michael . . 6 Nordling Kerstin . . 7 Kronqvist Nina . . 8 Westermark Per . . 9 Jornvall Hans . . 10 Knight Stefan . . 11 Ridderstrale Yvonne . . 12 Holm Lena . . 13 Meng Qing . . 14 Chesler Mitchell . . 15 Johansson Jan . . 16 Rising Anna . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 571 "13C chemical shifts" 463 "15N chemical shifts" 130 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-08-25 original author . stop_ _Original_release_date 2014-08-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Carbonic Anhydrase Generates CO2 and H+ That Drive Spider Silk Formation Via Opposite Effects on the Terminal Domains' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25093327 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Otikovs Martins . . 2 Jaudzems Kristaps . . 3 Andersson Marlene . . 4 Chen Gefei . . 5 Landreh Michael . . 6 Nordling Kerstin . . 7 Kronqvist Nina . . 8 Westermark Per . . 9 Jornvall Hans . . 10 Knight Stefan . . 11 Ridderstrale Yvonne . . 12 Holm Lena . . 13 Meng Qing . . 14 Chesler Mitchell . . 15 Johansson Jan . . 16 Rising Anna . . stop_ _Journal_abbreviation 'Plos Biol.' _Journal_volume 12 _Journal_issue 8 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e1001921 _Page_last e1001921 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'C-terminal domain from A. ventricosus minor ampullate spidroin (MiSp)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MiSp-CT, 1' $MiSp-CT 'MiSp-CT, 2' $MiSp-CT 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_MiSp-CT _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MiSp-CT _Molecular_mass 11766.900 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 125 _Mol_residue_sequence ; GSGNSVTSGGYGYGTSAAAG AGVAAGSYAGAVNRLSSAEA ASRVSSNIAAIASGGASALP SVISNIYSGVVASGVSSNEA LIQALLELLSALVHVLSSAS IGNVSSVGVDSTLNVVQDSV GQYVG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -5 GLY 2 -4 SER 3 -3 GLY 4 -2 ASN 5 -1 SER 6 1 VAL 7 2 THR 8 3 SER 9 4 GLY 10 5 GLY 11 6 TYR 12 7 GLY 13 8 TYR 14 9 GLY 15 10 THR 16 11 SER 17 12 ALA 18 13 ALA 19 14 ALA 20 15 GLY 21 16 ALA 22 17 GLY 23 18 VAL 24 19 ALA 25 20 ALA 26 21 GLY 27 22 SER 28 23 TYR 29 24 ALA 30 25 GLY 31 26 ALA 32 27 VAL 33 28 ASN 34 29 ARG 35 30 LEU 36 31 SER 37 32 SER 38 33 ALA 39 34 GLU 40 35 ALA 41 36 ALA 42 37 SER 43 38 ARG 44 39 VAL 45 40 SER 46 41 SER 47 42 ASN 48 43 ILE 49 44 ALA 50 45 ALA 51 46 ILE 52 47 ALA 53 48 SER 54 49 GLY 55 50 GLY 56 51 ALA 57 52 SER 58 53 ALA 59 54 LEU 60 55 PRO 61 56 SER 62 57 VAL 63 58 ILE 64 59 SER 65 60 ASN 66 61 ILE 67 62 TYR 68 63 SER 69 64 GLY 70 65 VAL 71 66 VAL 72 67 ALA 73 68 SER 74 69 GLY 75 70 VAL 76 71 SER 77 72 SER 78 73 ASN 79 74 GLU 80 75 ALA 81 76 LEU 82 77 ILE 83 78 GLN 84 79 ALA 85 80 LEU 86 81 LEU 87 82 GLU 88 83 LEU 89 84 LEU 90 85 SER 91 86 ALA 92 87 LEU 93 88 VAL 94 89 HIS 95 90 VAL 96 91 LEU 97 92 SER 98 93 SER 99 94 ALA 100 95 SER 101 96 ILE 102 97 GLY 103 98 ASN 104 99 VAL 105 100 SER 106 101 SER 107 102 VAL 108 103 GLY 109 104 VAL 110 105 ASP 111 106 SER 112 107 THR 113 108 LEU 114 109 ASN 115 110 VAL 116 111 VAL 117 112 GLN 118 113 ASP 119 114 SER 120 115 VAL 121 116 GLY 122 117 GLN 123 118 TYR 124 119 VAL 125 120 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 2MFZ "Nmr Structure Of C-terminal Domain From A. Ventricosus Minor Ampullate Spidroin (misp)" 100.00 125 100.00 100.00 3.94e-71 GB AFV31615 "minor ampullate spidroin [Araneus ventricosus]" 96.00 1766 100.00 100.00 1.56e-65 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MiSp-CT 'Orbweaver spider' 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 _Details $MiSp-CT 'recombinant technology' . Escherichia coli BL21(DE3) 'modified pET vector' 'His tag-Thioredoxin-His tag followed by a thrombin cleavage site' 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 $MiSp-CT 1 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' 'sodium azide' 0.03 % 'natural abundance' D2O 8 % '[U-100% 2H]' H2O 92 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'Used for identification of inter-molecular NOEs' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MiSp-CT 0.25 mM '[U-99% 13C; U-99% 15N]' $MiSp-CT 0.25 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' 'sodium azide' 0.03 % 'natural abundance' D2O 8 % '[U-100% 2H]' H2O 92 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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_CNS _Saveframe_category software _Name CNS _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_UNIO _Saveframe_category software _Name UNIO _Version . loop_ _Vendor _Address _Electronic_address 'T. Herrmann, F. Fiorito, J. Volk' . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details 'Equipped with 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_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_13C,15N_filtered_1H-13C_NOESY_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C,15N filtered 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . 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' 0.0688 . M pH 6.8 . 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 . . . 1.000000000 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_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D CBCA(CO)NH' '3D HNCO' '3D HN(CA)CO' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' 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 'MiSp-CT, 1' _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 1 GLY HA2 H 3.834 0.020 1 2 -5 1 GLY HA3 H 3.834 0.020 1 3 -5 1 GLY CA C 43.607 0.3 1 4 -4 2 SER HB2 H 3.847 0.020 1 5 -4 2 SER HB3 H 3.847 0.020 1 6 -4 2 SER CB C 63.876 0.3 1 7 -2 4 ASN H H 8.307 0.020 1 8 -2 4 ASN C C 175.184 0.3 1 9 -2 4 ASN CA C 53.399 0.3 1 10 -2 4 ASN N N 118.808 0.3 1 11 -1 5 SER H H 8.310 0.020 1 12 -1 5 SER HA H 4.447 0.020 1 13 -1 5 SER C C 174.478 0.3 1 14 -1 5 SER CA C 58.495 0.3 1 15 -1 5 SER N N 116.400 0.3 1 16 1 6 VAL H H 8.202 0.020 1 17 1 6 VAL HA H 4.161 0.020 1 18 1 6 VAL HB H 2.081 0.020 1 19 1 6 VAL HG1 H 0.901 0.020 1 20 1 6 VAL HG2 H 0.901 0.020 1 21 1 6 VAL C C 176.508 0.3 1 22 1 6 VAL CA C 62.613 0.3 1 23 1 6 VAL CB C 32.719 0.3 1 24 1 6 VAL CG1 C 22.842 0.3 1 25 1 6 VAL CG2 C 22.842 0.3 1 26 1 6 VAL N N 121.720 0.3 1 27 2 7 THR H H 8.176 0.020 1 28 2 7 THR HA H 4.348 0.020 1 29 2 7 THR HB H 4.211 0.020 1 30 2 7 THR HG2 H 1.155 0.020 1 31 2 7 THR C C 174.600 0.3 1 32 2 7 THR CA C 61.785 0.3 1 33 2 7 THR CB C 69.800 0.3 1 34 2 7 THR N N 116.876 0.3 1 35 3 8 SER H H 8.248 0.020 1 36 3 8 SER C C 174.732 0.3 1 37 3 8 SER CA C 58.585 0.3 1 38 3 8 SER N N 117.968 0.3 1 39 5 10 GLY H H 8.134 0.020 1 40 5 10 GLY HA2 H 3.842 0.020 1 41 5 10 GLY HA3 H 3.842 0.020 1 42 5 10 GLY C C 173.728 0.3 1 43 5 10 GLY CA C 45.215 0.3 1 44 5 10 GLY N N 108.381 0.3 1 45 6 11 TYR H H 8.096 0.020 1 46 6 11 TYR HA H 4.464 0.020 1 47 6 11 TYR HB2 H 2.851 0.020 2 48 6 11 TYR HB3 H 2.971 0.020 2 49 6 11 TYR HD1 H 7.053 0.020 1 50 6 11 TYR HD2 H 7.053 0.020 1 51 6 11 TYR HE1 H 6.782 0.020 1 52 6 11 TYR HE2 H 6.782 0.020 1 53 6 11 TYR C C 176.232 0.3 1 54 6 11 TYR CA C 58.175 0.3 1 55 6 11 TYR CB C 38.764 0.3 1 56 6 11 TYR CD1 C 133.413 0.3 1 57 6 11 TYR CD2 C 133.413 0.3 1 58 6 11 TYR CE1 C 118.413 0.3 1 59 6 11 TYR CE2 C 118.413 0.3 1 60 6 11 TYR N N 120.011 0.3 1 61 7 12 GLY H H 8.283 0.020 1 62 7 12 GLY HA2 H 3.817 0.020 2 63 7 12 GLY HA3 H 3.729 0.020 2 64 7 12 GLY C C 173.772 0.3 1 65 7 12 GLY CA C 45.222 0.3 1 66 7 12 GLY N N 110.530 0.3 1 67 8 13 TYR H H 7.987 0.020 1 68 8 13 TYR HA H 4.483 0.020 1 69 8 13 TYR HB2 H 2.892 0.020 2 70 8 13 TYR HB3 H 3.035 0.020 2 71 8 13 TYR HD1 H 7.059 0.020 1 72 8 13 TYR HD2 H 7.059 0.020 1 73 8 13 TYR HE1 H 6.783 0.020 1 74 8 13 TYR HE2 H 6.783 0.020 1 75 8 13 TYR C C 176.420 0.3 1 76 8 13 TYR CA C 58.334 0.3 1 77 8 13 TYR CB C 38.745 0.3 1 78 8 13 TYR CD1 C 133.318 0.3 1 79 8 13 TYR CD2 C 133.318 0.3 1 80 8 13 TYR CE1 C 118.329 0.3 1 81 8 13 TYR CE2 C 118.329 0.3 1 82 8 13 TYR N N 120.132 0.3 1 83 9 14 GLY H H 8.400 0.020 1 84 9 14 GLY HA2 H 3.868 0.020 2 85 9 14 GLY HA3 H 3.954 0.020 2 86 9 14 GLY C C 174.335 0.3 1 87 9 14 GLY CA C 45.449 0.3 1 88 9 14 GLY N N 110.831 0.3 1 89 10 15 THR H H 8.012 0.020 1 90 10 15 THR HA H 4.366 0.020 1 91 10 15 THR HB H 4.240 0.020 1 92 10 15 THR HG2 H 1.151 0.020 1 93 10 15 THR C C 174.721 0.3 1 94 10 15 THR CA C 61.829 0.3 1 95 10 15 THR CB C 69.881 0.3 1 96 10 15 THR CG2 C 21.590 0.3 1 97 10 15 THR N N 113.216 0.3 1 98 11 16 SER H H 8.342 0.020 1 99 11 16 SER HA H 4.414 0.020 1 100 11 16 SER HB2 H 3.851 0.020 1 101 11 16 SER HB3 H 3.851 0.020 1 102 11 16 SER C C 174.335 0.3 1 103 11 16 SER CA C 58.363 0.3 1 104 11 16 SER CB C 63.911 0.3 1 105 11 16 SER N N 117.904 0.3 1 106 12 17 ALA H H 8.274 0.020 1 107 12 17 ALA HA H 4.238 0.020 1 108 12 17 ALA HB H 1.335 0.020 1 109 12 17 ALA C C 177.468 0.3 1 110 12 17 ALA CA C 52.772 0.3 1 111 12 17 ALA CB C 19.088 0.3 1 112 12 17 ALA N N 126.003 0.3 1 113 13 18 ALA H H 8.121 0.020 1 114 13 18 ALA HA H 4.225 0.020 1 115 13 18 ALA HB H 1.347 0.020 1 116 13 18 ALA C C 178.207 0.3 1 117 13 18 ALA CA C 52.579 0.3 1 118 13 18 ALA CB C 19.291 0.3 1 119 13 18 ALA N N 122.954 0.3 1 120 14 19 ALA H H 8.262 0.020 1 121 14 19 ALA HA H 4.257 0.020 1 122 14 19 ALA HB H 1.363 0.020 1 123 14 19 ALA C C 178.227 0.3 1 124 14 19 ALA CA C 52.749 0.3 1 125 14 19 ALA CB C 19.276 0.3 1 126 14 19 ALA N N 123.733 0.3 1 127 15 20 GLY H H 8.239 0.020 1 128 15 20 GLY HA2 H 3.906 0.020 1 129 15 20 GLY HA3 H 3.906 0.020 1 130 15 20 GLY C C 173.849 0.3 1 131 15 20 GLY CA C 45.311 0.3 1 132 15 20 GLY N N 108.014 0.3 1 133 16 21 ALA H H 8.102 0.020 1 134 16 21 ALA HA H 4.298 0.020 1 135 16 21 ALA HB H 1.370 0.020 1 136 16 21 ALA C C 178.108 0.3 1 137 16 21 ALA CA C 52.711 0.3 1 138 16 21 ALA CB C 19.316 0.3 1 139 16 21 ALA N N 123.529 0.3 1 140 17 22 GLY H H 8.356 0.020 1 141 17 22 GLY HA2 H 3.914 0.020 1 142 17 22 GLY HA3 H 3.914 0.020 1 143 17 22 GLY C C 174.081 0.3 1 144 17 22 GLY CA C 45.235 0.3 1 145 17 22 GLY N N 108.099 0.3 1 146 18 23 VAL H H 7.899 0.020 1 147 18 23 VAL HA H 4.067 0.020 1 148 18 23 VAL HB H 2.032 0.020 1 149 18 23 VAL HG1 H 0.872 0.020 1 150 18 23 VAL HG2 H 0.872 0.020 1 151 18 23 VAL C C 175.946 0.3 1 152 18 23 VAL CA C 62.283 0.3 1 153 18 23 VAL CB C 32.764 0.3 1 154 18 23 VAL CG1 C 20.590 0.3 1 155 18 23 VAL CG2 C 20.590 0.3 1 156 18 23 VAL N N 119.220 0.3 1 157 19 24 ALA H H 8.377 0.020 1 158 19 24 ALA HA H 4.287 0.020 1 159 19 24 ALA HB H 1.355 0.020 1 160 19 24 ALA C C 177.303 0.3 1 161 19 24 ALA CA C 52.460 0.3 1 162 19 24 ALA CB C 19.299 0.3 1 163 19 24 ALA N N 127.804 0.3 1 164 20 25 ALA H H 8.261 0.020 1 165 20 25 ALA HA H 4.279 0.020 1 166 20 25 ALA HB H 1.369 0.020 1 167 20 25 ALA C C 178.086 0.3 1 168 20 25 ALA CA C 52.752 0.3 1 169 20 25 ALA CB C 19.315 0.3 1 170 20 25 ALA N N 123.602 0.3 1 171 21 26 GLY H H 8.323 0.020 1 172 21 26 GLY HA2 H 3.911 0.020 1 173 21 26 GLY HA3 H 3.911 0.020 1 174 21 26 GLY C C 174.213 0.3 1 175 21 26 GLY CA C 45.291 0.3 1 176 21 26 GLY N N 108.033 0.3 1 177 22 27 SER H H 8.118 0.020 1 178 22 27 SER HA H 4.369 0.020 1 179 22 27 SER HB2 H 3.721 0.020 2 180 22 27 SER HB3 H 3.649 0.020 2 181 22 27 SER C C 175.328 0.3 1 182 22 27 SER CA C 58.686 0.3 1 183 22 27 SER CB C 63.915 0.3 1 184 22 27 SER N N 115.596 0.3 1 185 23 28 TYR H H 8.620 0.020 1 186 23 28 TYR HA H 4.769 0.020 1 187 23 28 TYR HB2 H 2.837 0.020 2 188 23 28 TYR HB3 H 3.160 0.020 2 189 23 28 TYR HD1 H 6.994 0.020 1 190 23 28 TYR HD2 H 6.994 0.020 1 191 23 28 TYR HE1 H 6.778 0.020 1 192 23 28 TYR HE2 H 6.778 0.020 1 193 23 28 TYR C C 175.890 0.3 1 194 23 28 TYR CA C 57.724 0.3 1 195 23 28 TYR CB C 37.863 0.3 1 196 23 28 TYR CD1 C 132.556 0.3 1 197 23 28 TYR CD2 C 132.556 0.3 1 198 23 28 TYR CE1 C 118.291 0.3 1 199 23 28 TYR CE2 C 118.291 0.3 1 200 23 28 TYR N N 121.490 0.3 1 201 24 29 ALA H H 8.127 0.020 1 202 24 29 ALA HA H 3.881 0.020 1 203 24 29 ALA HB H 1.361 0.020 1 204 24 29 ALA C C 179.366 0.3 1 205 24 29 ALA CA C 55.393 0.3 1 206 24 29 ALA CB C 18.540 0.3 1 207 24 29 ALA N N 121.940 0.3 1 208 25 30 GLY H H 8.647 0.020 1 209 25 30 GLY HA2 H 3.877 0.020 2 210 25 30 GLY HA3 H 3.729 0.020 2 211 25 30 GLY C C 175.074 0.3 1 212 25 30 GLY CA C 47.197 0.3 1 213 25 30 GLY N N 106.527 0.3 1 214 26 31 ALA H H 7.552 0.020 1 215 26 31 ALA HA H 4.027 0.020 1 216 26 31 ALA HB H 1.311 0.020 1 217 26 31 ALA C C 177.490 0.3 1 218 26 31 ALA CA C 54.536 0.3 1 219 26 31 ALA CB C 18.976 0.3 1 220 26 31 ALA N N 122.752 0.3 1 221 27 32 VAL H H 7.283 0.020 1 222 27 32 VAL HA H 3.461 0.020 1 223 27 32 VAL HB H 2.105 0.020 1 224 27 32 VAL HG1 H 0.901 0.020 2 225 27 32 VAL HG2 H 0.880 0.020 2 226 27 32 VAL C C 179.366 0.3 1 227 27 32 VAL CA C 65.563 0.3 1 228 27 32 VAL CB C 32.095 0.3 1 229 27 32 VAL CG1 C 22.919 0.3 1 230 27 32 VAL CG2 C 23.895 0.3 1 231 27 32 VAL N N 113.110 0.3 1 232 28 33 ASN H H 8.374 0.020 1 233 28 33 ASN HA H 4.355 0.020 1 234 28 33 ASN HB2 H 2.837 0.020 2 235 28 33 ASN HB3 H 2.787 0.020 2 236 28 33 ASN HD21 H 7.533 0.020 1 237 28 33 ASN HD22 H 6.910 0.020 1 238 28 33 ASN C C 177.667 0.3 1 239 28 33 ASN CA C 56.091 0.3 1 240 28 33 ASN CB C 38.320 0.3 1 241 28 33 ASN N N 119.671 0.3 1 242 28 33 ASN ND2 N 111.970 0.3 1 243 29 34 ARG H H 7.860 0.020 1 244 29 34 ARG HA H 4.118 0.020 1 245 29 34 ARG HB2 H 1.903 0.020 2 246 29 34 ARG HB3 H 1.778 0.020 2 247 29 34 ARG HG2 H 1.481 0.020 2 248 29 34 ARG HG3 H 1.911 0.020 2 249 29 34 ARG HD2 H 3.321 0.020 2 250 29 34 ARG HD3 H 3.091 0.020 2 251 29 34 ARG HE H 7.503 0.020 1 252 29 34 ARG C C 177.457 0.3 1 253 29 34 ARG CA C 58.695 0.3 1 254 29 34 ARG CB C 30.137 0.3 1 255 29 34 ARG CG C 29.838 0.3 1 256 29 34 ARG CD C 42.920 0.3 1 257 29 34 ARG N N 116.957 0.3 1 258 29 34 ARG NE N 84.070 0.3 1 259 30 35 LEU H H 7.524 0.020 1 260 30 35 LEU HA H 3.954 0.020 1 261 30 35 LEU HB2 H 1.794 0.020 2 262 30 35 LEU HB3 H 1.602 0.020 2 263 30 35 LEU HG H 2.077 0.020 1 264 30 35 LEU HD1 H 0.764 0.020 2 265 30 35 LEU HD2 H 0.884 0.020 2 266 30 35 LEU C C 174.975 0.3 1 267 30 35 LEU CA C 57.222 0.3 1 268 30 35 LEU CB C 40.958 0.3 1 269 30 35 LEU CG C 26.614 0.3 1 270 30 35 LEU CD1 C 22.980 0.3 1 271 30 35 LEU CD2 C 25.545 0.3 1 272 30 35 LEU N N 121.060 0.3 1 273 31 36 SER H H 7.046 0.020 1 274 31 36 SER HA H 4.523 0.020 1 275 31 36 SER HB2 H 4.036 0.020 2 276 31 36 SER HB3 H 3.832 0.020 2 277 31 36 SER C C 174.666 0.3 1 278 31 36 SER CA C 57.680 0.3 1 279 31 36 SER CB C 63.290 0.3 1 280 31 36 SER N N 106.764 0.3 1 281 32 37 SER H H 7.721 0.020 1 282 32 37 SER HA H 4.383 0.020 1 283 32 37 SER HB2 H 4.089 0.020 2 284 32 37 SER HB3 H 4.409 0.020 2 285 32 37 SER C C 174.677 0.3 1 286 32 37 SER CA C 58.027 0.3 1 287 32 37 SER CB C 66.069 0.3 1 288 32 37 SER N N 117.235 0.3 1 289 33 38 ALA H H 8.980 0.020 1 290 33 38 ALA HA H 4.098 0.020 1 291 33 38 ALA HB H 1.404 0.020 1 292 33 38 ALA C C 180.822 0.3 1 293 33 38 ALA CA C 54.741 0.3 1 294 33 38 ALA CB C 18.029 0.3 1 295 33 38 ALA N N 126.048 0.3 1 296 34 39 GLU H H 8.993 0.020 1 297 34 39 GLU HA H 3.935 0.020 1 298 34 39 GLU HB2 H 2.049 0.020 2 299 34 39 GLU HB3 H 1.922 0.020 2 300 34 39 GLU HG2 H 2.259 0.020 2 301 34 39 GLU HG3 H 2.443 0.020 2 302 34 39 GLU C C 178.560 0.3 1 303 34 39 GLU CA C 60.374 0.3 1 304 34 39 GLU CB C 28.813 0.3 1 305 34 39 GLU CG C 37.351 0.3 1 306 34 39 GLU N N 117.978 0.3 1 307 35 40 ALA H H 7.443 0.020 1 308 35 40 ALA HA H 4.051 0.020 1 309 35 40 ALA HB H 1.343 0.020 1 310 35 40 ALA C C 179.101 0.3 1 311 35 40 ALA CA C 55.419 0.3 1 312 35 40 ALA CB C 19.284 0.3 1 313 35 40 ALA N N 123.748 0.3 1 314 36 41 ALA H H 7.484 0.020 1 315 36 41 ALA HA H 3.755 0.020 1 316 36 41 ALA HB H 1.363 0.020 1 317 36 41 ALA C C 180.745 0.3 1 318 36 41 ALA CA C 55.541 0.3 1 319 36 41 ALA CB C 17.026 0.3 1 320 36 41 ALA N N 118.503 0.3 1 321 37 42 SER H H 8.178 0.020 1 322 37 42 SER HA H 4.170 0.020 1 323 37 42 SER HB2 H 3.936 0.020 1 324 37 42 SER HB3 H 3.936 0.020 1 325 37 42 SER C C 177.214 0.3 1 326 37 42 SER CA C 61.628 0.3 1 327 37 42 SER CB C 62.653 0.3 1 328 37 42 SER N N 114.688 0.3 1 329 38 43 ARG H H 7.882 0.020 1 330 38 43 ARG HA H 4.004 0.020 1 331 38 43 ARG HB2 H 1.567 0.020 2 332 38 43 ARG HB3 H 2.232 0.020 2 333 38 43 ARG HG2 H 1.467 0.020 2 334 38 43 ARG HG3 H 1.707 0.020 2 335 38 43 ARG HD2 H 3.111 0.020 2 336 38 43 ARG HD3 H 3.147 0.020 2 337 38 43 ARG C C 179.564 0.3 1 338 38 43 ARG CA C 60.657 0.3 1 339 38 43 ARG CB C 31.813 0.3 1 340 38 43 ARG CG C 30.139 0.3 1 341 38 43 ARG CD C 43.551 0.3 1 342 38 43 ARG N N 123.817 0.3 1 343 39 44 VAL H H 8.543 0.020 1 344 39 44 VAL HA H 3.329 0.020 1 345 39 44 VAL HB H 1.994 0.020 1 346 39 44 VAL HG1 H 1.131 0.020 2 347 39 44 VAL HG2 H 0.617 0.020 2 348 39 44 VAL C C 178.505 0.3 1 349 39 44 VAL CA C 68.194 0.3 1 350 39 44 VAL CB C 31.570 0.3 1 351 39 44 VAL CG1 C 23.720 0.3 1 352 39 44 VAL CG2 C 21.293 0.3 1 353 39 44 VAL N N 120.446 0.3 1 354 40 45 SER H H 8.602 0.020 1 355 40 45 SER HA H 4.080 0.020 1 356 40 45 SER HB2 H 3.915 0.020 1 357 40 45 SER HB3 H 3.915 0.020 1 358 40 45 SER C C 176.340 0.3 1 359 40 45 SER CA C 62.940 0.3 1 360 40 45 SER CB C 62.953 0.3 1 361 40 45 SER N N 114.009 0.3 1 362 41 46 SER H H 8.003 0.020 1 363 41 46 SER HA H 4.333 0.020 1 364 41 46 SER HB2 H 3.998 0.020 2 365 41 46 SER HB3 H 3.941 0.020 2 366 41 46 SER C C 174.390 0.3 1 367 41 46 SER CA C 60.828 0.3 1 368 41 46 SER CB C 63.563 0.3 1 369 41 46 SER N N 114.648 0.3 1 370 42 47 ASN H H 7.600 0.020 1 371 42 47 ASN HA H 4.964 0.020 1 372 42 47 ASN HB2 H 2.319 0.020 2 373 42 47 ASN HB3 H 2.741 0.020 2 374 42 47 ASN HD21 H 7.870 0.020 1 375 42 47 ASN HD22 H 7.075 0.020 1 376 42 47 ASN C C 174.677 0.3 1 377 42 47 ASN CA C 55.363 0.3 1 378 42 47 ASN CB C 42.266 0.3 1 379 42 47 ASN N N 117.849 0.3 1 380 42 47 ASN ND2 N 116.058 0.3 1 381 43 48 ILE H H 7.336 0.020 1 382 43 48 ILE HA H 3.671 0.020 1 383 43 48 ILE HB H 1.865 0.020 1 384 43 48 ILE HG12 H 1.498 0.020 2 385 43 48 ILE HG13 H 1.638 0.020 2 386 43 48 ILE HG2 H 0.942 0.020 1 387 43 48 ILE HD1 H 0.694 0.020 1 388 43 48 ILE C C 176.773 0.3 1 389 43 48 ILE CA C 65.227 0.3 1 390 43 48 ILE CB C 37.410 0.3 1 391 43 48 ILE CG1 C 26.506 0.3 1 392 43 48 ILE CG2 C 18.304 0.3 1 393 43 48 ILE CD1 C 13.704 0.3 1 394 43 48 ILE N N 116.952 0.3 1 395 44 49 ALA H H 8.617 0.020 1 396 44 49 ALA HA H 4.036 0.020 1 397 44 49 ALA HB H 1.389 0.020 1 398 44 49 ALA C C 180.304 0.3 1 399 44 49 ALA CA C 55.388 0.3 1 400 44 49 ALA CB C 17.488 0.3 1 401 44 49 ALA N N 122.396 0.3 1 402 45 50 ALA H H 7.913 0.020 1 403 45 50 ALA HA H 4.053 0.020 1 404 45 50 ALA HB H 1.387 0.020 1 405 45 50 ALA C C 180.591 0.3 1 406 45 50 ALA CA C 54.752 0.3 1 407 45 50 ALA CB C 18.617 0.3 1 408 45 50 ALA N N 120.804 0.3 1 409 46 51 ILE H H 7.313 0.020 1 410 46 51 ILE HA H 3.628 0.020 1 411 46 51 ILE HB H 1.940 0.020 1 412 46 51 ILE HG12 H 1.666 0.020 2 413 46 51 ILE HG13 H 1.069 0.020 2 414 46 51 ILE HG2 H 0.796 0.020 1 415 46 51 ILE HD1 H 0.657 0.020 1 416 46 51 ILE C C 177.612 0.3 1 417 46 51 ILE CA C 63.279 0.3 1 418 46 51 ILE CB C 37.660 0.3 1 419 46 51 ILE CG1 C 28.711 0.3 1 420 46 51 ILE CG2 C 18.319 0.3 1 421 46 51 ILE CD1 C 12.760 0.3 1 422 46 51 ILE N N 117.637 0.3 1 423 47 52 ALA H H 8.413 0.020 1 424 47 52 ALA HA H 3.944 0.020 1 425 47 52 ALA HB H 1.478 0.020 1 426 47 52 ALA C C 178.538 0.3 1 427 47 52 ALA CA C 55.387 0.3 1 428 47 52 ALA CB C 18.979 0.3 1 429 47 52 ALA N N 121.493 0.3 1 430 48 53 SER H H 8.030 0.020 1 431 48 53 SER HA H 4.352 0.020 1 432 48 53 SER HB2 H 3.868 0.020 1 433 48 53 SER HB3 H 3.868 0.020 1 434 48 53 SER C C 176.056 0.3 1 435 48 53 SER CA C 59.977 0.3 1 436 48 53 SER CB C 63.838 0.3 1 437 48 53 SER N N 109.024 0.3 1 438 49 54 GLY H H 8.048 0.020 1 439 49 54 GLY HA2 H 4.373 0.020 2 440 49 54 GLY HA3 H 3.582 0.020 2 441 49 54 GLY C C 174.820 0.3 1 442 49 54 GLY CA C 45.193 0.3 1 443 49 54 GLY N N 108.121 0.3 1 444 50 55 GLY H H 8.409 0.020 1 445 50 55 GLY HA2 H 3.658 0.020 2 446 50 55 GLY HA3 H 3.969 0.020 2 447 50 55 GLY C C 174.975 0.3 1 448 50 55 GLY CA C 46.182 0.3 1 449 50 55 GLY N N 111.955 0.3 1 450 51 56 ALA H H 9.119 0.020 1 451 51 56 ALA HA H 3.819 0.020 1 452 51 56 ALA HB H 1.403 0.020 1 453 51 56 ALA C C 179.697 0.3 1 454 51 56 ALA CA C 55.060 0.3 1 455 51 56 ALA CB C 18.279 0.3 1 456 51 56 ALA N N 126.247 0.3 1 457 52 57 SER H H 8.231 0.020 1 458 52 57 SER HA H 4.222 0.020 1 459 52 57 SER HB2 H 4.007 0.020 2 460 52 57 SER HB3 H 3.930 0.020 2 461 52 57 SER C C 174.983 0.3 1 462 52 57 SER CA C 60.814 0.3 1 463 52 57 SER CB C 62.977 0.3 1 464 52 57 SER N N 111.975 0.3 1 465 53 58 ALA H H 7.602 0.020 1 466 53 58 ALA HA H 4.402 0.020 1 467 53 58 ALA HB H 1.319 0.020 1 468 53 58 ALA C C 177.391 0.3 1 469 53 58 ALA CA C 52.127 0.3 1 470 53 58 ALA CB C 19.946 0.3 1 471 53 58 ALA N N 122.484 0.3 1 472 54 59 LEU H H 7.408 0.020 1 473 54 59 LEU HA H 3.879 0.020 1 474 54 59 LEU HB2 H 1.880 0.020 2 475 54 59 LEU HB3 H 1.602 0.020 2 476 54 59 LEU HG H 1.789 0.020 1 477 54 59 LEU HD1 H 0.807 0.020 2 478 54 59 LEU HD2 H 0.891 0.020 2 479 54 59 LEU C C 174.434 0.3 1 480 54 59 LEU CA C 60.315 0.3 1 481 54 59 LEU CB C 39.620 0.3 1 482 54 59 LEU CG C 27.860 0.3 1 483 54 59 LEU CD1 C 24.549 0.3 1 484 54 59 LEU CD2 C 25.256 0.3 1 485 54 59 LEU N N 117.414 0.3 1 486 55 60 PRO HA H 4.191 0.020 1 487 55 60 PRO HB2 H 2.393 0.020 2 488 55 60 PRO HB3 H 1.937 0.020 2 489 55 60 PRO HG2 H 1.965 0.020 2 490 55 60 PRO HG3 H 2.171 0.020 2 491 55 60 PRO HD2 H 3.602 0.020 2 492 55 60 PRO HD3 H 3.652 0.020 2 493 55 60 PRO CA C 66.934 0.3 1 494 55 60 PRO CB C 31.050 0.3 1 495 55 60 PRO CG C 28.545 0.3 1 496 55 60 PRO CD C 49.716 0.3 1 497 56 61 SER H H 7.834 0.020 1 498 56 61 SER HA H 4.234 0.020 1 499 56 61 SER HB2 H 3.929 0.020 1 500 56 61 SER HB3 H 3.929 0.020 1 501 56 61 SER C C 176.552 0.3 1 502 56 61 SER CA C 61.233 0.3 1 503 56 61 SER CB C 62.733 0.3 1 504 56 61 SER N N 113.559 0.3 1 505 57 62 VAL H H 8.263 0.020 1 506 57 62 VAL HA H 3.743 0.020 1 507 57 62 VAL HB H 1.941 0.020 1 508 57 62 VAL HG1 H 1.058 0.020 2 509 57 62 VAL HG2 H 0.806 0.020 2 510 57 62 VAL C C 178.042 0.3 1 511 57 62 VAL CA C 66.460 0.3 1 512 57 62 VAL CB C 31.768 0.3 1 513 57 62 VAL CG1 C 23.121 0.3 1 514 57 62 VAL CG2 C 22.209 0.3 1 515 57 62 VAL N N 123.292 0.3 1 516 58 63 ILE H H 8.873 0.020 1 517 58 63 ILE HA H 3.684 0.020 1 518 58 63 ILE HB H 1.640 0.020 1 519 58 63 ILE HG12 H 1.425 0.020 2 520 58 63 ILE HG13 H 0.812 0.020 2 521 58 63 ILE HG2 H 0.771 0.020 1 522 58 63 ILE HD1 H 0.628 0.020 1 523 58 63 ILE C C 176.221 0.3 1 524 58 63 ILE CA C 65.082 0.3 1 525 58 63 ILE CB C 37.349 0.3 1 526 58 63 ILE CG1 C 30.716 0.3 1 527 58 63 ILE CG2 C 17.789 0.3 1 528 58 63 ILE CD1 C 14.048 0.3 1 529 58 63 ILE N N 118.510 0.3 1 530 59 64 SER H H 7.388 0.020 1 531 59 64 SER HA H 4.305 0.020 1 532 59 64 SER HB2 H 4.053 0.020 1 533 59 64 SER HB3 H 4.053 0.020 1 534 59 64 SER C C 177.534 0.3 1 535 59 64 SER CA C 61.586 0.3 1 536 59 64 SER CB C 62.951 0.3 1 537 59 64 SER N N 114.238 0.3 1 538 60 65 ASN H H 8.147 0.020 1 539 60 65 ASN HA H 4.360 0.020 1 540 60 65 ASN HB2 H 3.063 0.020 2 541 60 65 ASN HB3 H 3.007 0.020 2 542 60 65 ASN HD21 H 7.678 0.020 1 543 60 65 ASN HD22 H 6.818 0.020 1 544 60 65 ASN C C 178.616 0.3 1 545 60 65 ASN CA C 56.715 0.3 1 546 60 65 ASN CB C 38.996 0.3 1 547 60 65 ASN N N 120.810 0.3 1 548 60 65 ASN ND2 N 111.522 0.3 1 549 61 66 ILE H H 8.642 0.020 1 550 61 66 ILE HA H 3.521 0.020 1 551 61 66 ILE HB H 1.655 0.020 1 552 61 66 ILE HG12 H 0.715 0.020 2 553 61 66 ILE HG13 H 1.984 0.020 2 554 61 66 ILE HG2 H 1.033 0.020 1 555 61 66 ILE HD1 H 0.586 0.020 1 556 61 66 ILE C C 176.972 0.3 1 557 61 66 ILE CA C 66.562 0.3 1 558 61 66 ILE CB C 39.006 0.3 1 559 61 66 ILE CG1 C 30.273 0.3 1 560 61 66 ILE CG2 C 18.324 0.3 1 561 61 66 ILE CD1 C 13.201 0.3 1 562 61 66 ILE N N 121.116 0.3 1 563 62 67 TYR H H 9.192 0.020 1 564 62 67 TYR HA H 3.623 0.020 1 565 62 67 TYR HB2 H 2.823 0.020 2 566 62 67 TYR HB3 H 2.425 0.020 2 567 62 67 TYR HD1 H 6.648 0.020 1 568 62 67 TYR HD2 H 6.648 0.020 1 569 62 67 TYR HE1 H 6.639 0.020 1 570 62 67 TYR HE2 H 6.639 0.020 1 571 62 67 TYR C C 176.828 0.3 1 572 62 67 TYR CA C 63.083 0.3 1 573 62 67 TYR CB C 38.975 0.3 1 574 62 67 TYR CD1 C 132.580 0.3 1 575 62 67 TYR CD2 C 132.580 0.3 1 576 62 67 TYR CE1 C 118.285 0.3 1 577 62 67 TYR CE2 C 118.285 0.3 1 578 62 67 TYR N N 119.953 0.3 1 579 63 68 SER H H 8.320 0.020 1 580 63 68 SER HA H 4.035 0.020 1 581 63 68 SER HB2 H 4.020 0.020 1 582 63 68 SER HB3 H 4.020 0.020 1 583 63 68 SER C C 177.325 0.3 1 584 63 68 SER CA C 62.027 0.3 1 585 63 68 SER CB C 62.565 0.3 1 586 63 68 SER N N 111.464 0.3 1 587 64 69 GLY H H 7.724 0.020 1 588 64 69 GLY HA2 H 3.721 0.020 2 589 64 69 GLY HA3 H 3.898 0.020 2 590 64 69 GLY C C 175.581 0.3 1 591 64 69 GLY CA C 47.314 0.3 1 592 64 69 GLY N N 110.383 0.3 1 593 65 70 VAL H H 8.584 0.020 1 594 65 70 VAL HA H 3.244 0.020 1 595 65 70 VAL HB H 1.952 0.020 1 596 65 70 VAL HG1 H 0.811 0.020 2 597 65 70 VAL HG2 H 0.709 0.020 2 598 65 70 VAL C C 180.072 0.3 1 599 65 70 VAL CA C 67.004 0.3 1 600 65 70 VAL CB C 31.708 0.3 1 601 65 70 VAL CG1 C 22.581 0.3 1 602 65 70 VAL CG2 C 22.090 0.3 1 603 65 70 VAL N N 124.665 0.3 1 604 66 71 VAL H H 8.305 0.020 1 605 66 71 VAL HA H 3.723 0.020 1 606 66 71 VAL HB H 1.785 0.020 1 607 66 71 VAL HG1 H 0.535 0.020 2 608 66 71 VAL HG2 H 0.785 0.020 2 609 66 71 VAL C C 179.829 0.3 1 610 66 71 VAL CA C 66.215 0.3 1 611 66 71 VAL CB C 31.755 0.3 1 612 66 71 VAL CG1 C 22.434 0.3 1 613 66 71 VAL CG2 C 20.981 0.3 1 614 66 71 VAL N N 120.803 0.3 1 615 67 72 ALA H H 7.979 0.020 1 616 67 72 ALA HA H 4.164 0.020 1 617 67 72 ALA HB H 1.492 0.020 1 618 67 72 ALA C C 178.560 0.3 1 619 67 72 ALA CA C 54.424 0.3 1 620 67 72 ALA CB C 18.011 0.3 1 621 67 72 ALA N N 123.266 0.3 1 622 68 73 SER H H 7.674 0.020 1 623 68 73 SER HA H 4.436 0.020 1 624 68 73 SER HB2 H 4.105 0.020 2 625 68 73 SER HB3 H 3.941 0.020 2 626 68 73 SER C C 174.555 0.3 1 627 68 73 SER CA C 59.634 0.3 1 628 68 73 SER CB C 63.943 0.3 1 629 68 73 SER N N 112.669 0.3 1 630 69 74 GLY H H 7.939 0.020 1 631 69 74 GLY HA2 H 3.680 0.020 2 632 69 74 GLY HA3 H 4.295 0.020 2 633 69 74 GLY C C 173.904 0.3 1 634 69 74 GLY CA C 45.231 0.3 1 635 69 74 GLY N N 109.146 0.3 1 636 70 75 VAL H H 6.723 0.020 1 637 70 75 VAL HA H 3.910 0.020 1 638 70 75 VAL HB H 1.648 0.020 1 639 70 75 VAL HG1 H 0.715 0.020 2 640 70 75 VAL HG2 H 0.804 0.020 2 641 70 75 VAL C C 174.997 0.3 1 642 70 75 VAL CA C 62.284 0.3 1 643 70 75 VAL CB C 32.424 0.3 1 644 70 75 VAL CG1 C 20.955 0.3 1 645 70 75 VAL CG2 C 21.017 0.3 1 646 70 75 VAL N N 119.926 0.3 1 647 71 76 SER H H 8.577 0.020 1 648 71 76 SER HA H 4.386 0.020 1 649 71 76 SER HB2 H 4.118 0.020 2 650 71 76 SER HB3 H 3.956 0.020 2 651 71 76 SER C C 175.559 0.3 1 652 71 76 SER CA C 58.441 0.3 1 653 71 76 SER CB C 64.632 0.3 1 654 71 76 SER N N 120.581 0.3 1 655 72 77 SER H H 8.889 0.020 1 656 72 77 SER HA H 4.083 0.020 1 657 72 77 SER HB2 H 4.031 0.020 1 658 72 77 SER HB3 H 4.031 0.020 1 659 72 77 SER C C 176.255 0.3 1 660 72 77 SER CA C 61.586 0.3 1 661 72 77 SER CB C 62.622 0.3 1 662 72 77 SER N N 117.898 0.3 1 663 73 78 ASN H H 8.519 0.020 1 664 73 78 ASN HA H 4.657 0.020 1 665 73 78 ASN HB2 H 2.873 0.020 2 666 73 78 ASN HB3 H 2.903 0.020 2 667 73 78 ASN HD21 H 7.602 0.020 1 668 73 78 ASN HD22 H 7.010 0.020 1 669 73 78 ASN C C 176.506 0.3 1 670 73 78 ASN CA C 56.061 0.3 1 671 73 78 ASN CB C 38.000 0.3 1 672 73 78 ASN N N 118.976 0.3 1 673 73 78 ASN ND2 N 112.880 0.3 1 674 74 79 GLU H H 7.768 0.020 1 675 74 79 GLU HA H 4.110 0.020 1 676 74 79 GLU HB2 H 1.991 0.020 1 677 74 79 GLU HB3 H 1.991 0.020 1 678 74 79 GLU HG2 H 2.288 0.020 2 679 74 79 GLU HG3 H 2.193 0.020 2 680 74 79 GLU C C 176.994 0.3 1 681 74 79 GLU CA C 58.026 0.3 1 682 74 79 GLU CB C 31.363 0.3 1 683 74 79 GLU CG C 37.338 0.3 1 684 74 79 GLU N N 118.543 0.3 1 685 75 80 ALA H H 8.069 0.020 1 686 75 80 ALA HA H 3.690 0.020 1 687 75 80 ALA HB H 1.051 0.020 1 688 75 80 ALA C C 178.318 0.3 1 689 75 80 ALA CA C 55.228 0.3 1 690 75 80 ALA CB C 18.641 0.3 1 691 75 80 ALA N N 121.901 0.3 1 692 76 81 LEU H H 8.121 0.020 1 693 76 81 LEU HA H 4.110 0.020 1 694 76 81 LEU HB2 H 1.786 0.020 1 695 76 81 LEU HB3 H 1.786 0.020 1 696 76 81 LEU HG H 1.369 0.020 1 697 76 81 LEU HD1 H 0.696 0.020 2 698 76 81 LEU HD2 H 0.715 0.020 2 699 76 81 LEU C C 177.854 0.3 1 700 76 81 LEU CA C 58.014 0.3 1 701 76 81 LEU CB C 40.768 0.3 1 702 76 81 LEU CG C 27.467 0.3 1 703 76 81 LEU CD1 C 22.249 0.3 1 704 76 81 LEU CD2 C 25.548 0.3 1 705 76 81 LEU N N 117.360 0.3 1 706 77 82 ILE H H 7.607 0.020 1 707 77 82 ILE HA H 3.452 0.020 1 708 77 82 ILE HB H 1.648 0.020 1 709 77 82 ILE HG12 H 1.089 0.020 2 710 77 82 ILE HG13 H 0.916 0.020 2 711 77 82 ILE HG2 H 0.613 0.020 1 712 77 82 ILE HD1 H 0.393 0.020 1 713 77 82 ILE C C 176.883 0.3 1 714 77 82 ILE CA C 64.258 0.3 1 715 77 82 ILE CB C 36.742 0.3 1 716 77 82 ILE CG1 C 28.829 0.3 1 717 77 82 ILE CG2 C 17.124 0.3 1 718 77 82 ILE CD1 C 12.106 0.3 1 719 77 82 ILE N N 116.714 0.3 1 720 78 83 GLN H H 8.119 0.020 1 721 78 83 GLN HA H 3.632 0.020 1 722 78 83 GLN HB2 H 1.820 0.020 2 723 78 83 GLN HB3 H 2.120 0.020 2 724 78 83 GLN HG2 H 2.413 0.020 2 725 78 83 GLN HG3 H 2.287 0.020 2 726 78 83 GLN HE21 H 6.333 0.020 1 727 78 83 GLN HE22 H 8.558 0.020 1 728 78 83 GLN C C 177.521 0.3 1 729 78 83 GLN CA C 60.320 0.3 1 730 78 83 GLN CB C 28.175 0.3 1 731 78 83 GLN CG C 33.133 0.3 1 732 78 83 GLN N N 119.338 0.3 1 733 78 83 GLN NE2 N 110.837 0.3 1 734 79 84 ALA H H 8.639 0.020 1 735 79 84 ALA HA H 3.872 0.020 1 736 79 84 ALA HB H 1.410 0.020 1 737 79 84 ALA C C 179.311 0.3 1 738 79 84 ALA CA C 54.825 0.3 1 739 79 84 ALA CB C 17.819 0.3 1 740 79 84 ALA N N 119.218 0.3 1 741 80 85 LEU H H 8.450 0.020 1 742 80 85 LEU HA H 3.899 0.020 1 743 80 85 LEU HB2 H 1.993 0.020 2 744 80 85 LEU HB3 H 1.143 0.020 2 745 80 85 LEU HG H 1.953 0.020 1 746 80 85 LEU HD1 H 0.650 0.020 2 747 80 85 LEU HD2 H 0.606 0.020 2 748 80 85 LEU C C 178.914 0.3 1 749 80 85 LEU CA C 58.011 0.3 1 750 80 85 LEU CB C 41.615 0.3 1 751 80 85 LEU CG C 26.239 0.3 1 752 80 85 LEU CD1 C 25.863 0.3 1 753 80 85 LEU CD2 C 22.253 0.3 1 754 80 85 LEU N N 116.262 0.3 1 755 81 86 LEU H H 8.151 0.020 1 756 81 86 LEU HA H 3.972 0.020 1 757 81 86 LEU HB2 H 1.357 0.020 2 758 81 86 LEU HB3 H 2.115 0.020 2 759 81 86 LEU HG H 1.930 0.020 1 760 81 86 LEU HD1 H 0.695 0.020 2 761 81 86 LEU HD2 H 0.679 0.020 2 762 81 86 LEU C C 180.127 0.3 1 763 81 86 LEU CA C 57.983 0.3 1 764 81 86 LEU CB C 42.543 0.3 1 765 81 86 LEU CG C 26.453 0.3 1 766 81 86 LEU CD1 C 24.208 0.3 1 767 81 86 LEU CD2 C 26.884 0.3 1 768 81 86 LEU N N 118.995 0.3 1 769 82 87 GLU H H 8.659 0.020 1 770 82 87 GLU HA H 3.633 0.020 1 771 82 87 GLU HB2 H 1.930 0.020 1 772 82 87 GLU HB3 H 1.930 0.020 1 773 82 87 GLU HG2 H 1.696 0.020 2 774 82 87 GLU HG3 H 2.412 0.020 2 775 82 87 GLU C C 178.505 0.3 1 776 82 87 GLU CA C 61.300 0.3 1 777 82 87 GLU CB C 29.779 0.3 1 778 82 87 GLU CG C 38.529 0.3 1 779 82 87 GLU N N 124.890 0.3 1 780 83 88 LEU H H 8.658 0.020 1 781 83 88 LEU HA H 3.820 0.020 1 782 83 88 LEU HB2 H 2.055 0.020 2 783 83 88 LEU HB3 H 1.367 0.020 2 784 83 88 LEU HG H 1.455 0.020 1 785 83 88 LEU HD1 H 0.762 0.020 2 786 83 88 LEU HD2 H 0.791 0.020 2 787 83 88 LEU C C 178.163 0.3 1 788 83 88 LEU CA C 58.155 0.3 1 789 83 88 LEU CB C 41.634 0.3 1 790 83 88 LEU CG C 26.852 0.3 1 791 83 88 LEU CD1 C 23.234 0.3 1 792 83 88 LEU CD2 C 26.873 0.3 1 793 83 88 LEU N N 121.487 0.3 1 794 84 89 LEU H H 8.803 0.020 1 795 84 89 LEU HA H 3.786 0.020 1 796 84 89 LEU HB2 H 1.870 0.020 2 797 84 89 LEU HB3 H 1.689 0.020 2 798 84 89 LEU HG H 1.684 0.020 1 799 84 89 LEU HD2 H 0.794 0.020 1 800 84 89 LEU C C 178.064 0.3 1 801 84 89 LEU CA C 58.663 0.3 1 802 84 89 LEU CB C 42.205 0.3 1 803 84 89 LEU CG C 27.149 0.3 1 804 84 89 LEU CD1 C 26.061 0.3 1 805 84 89 LEU CD2 C 26.061 0.3 1 806 84 89 LEU N N 118.904 0.3 1 807 85 90 SER H H 7.879 0.020 1 808 85 90 SER HA H 4.211 0.020 1 809 85 90 SER HB2 H 3.442 0.020 2 810 85 90 SER HB3 H 3.965 0.020 2 811 85 90 SER C C 174.633 0.3 1 812 85 90 SER CA C 62.957 0.3 1 813 85 90 SER CB C 62.947 0.3 1 814 85 90 SER N N 114.347 0.3 1 815 86 91 ALA H H 8.199 0.020 1 816 86 91 ALA HA H 3.770 0.020 1 817 86 91 ALA HB H 1.374 0.020 1 818 86 91 ALA C C 178.538 0.3 1 819 86 91 ALA CA C 55.366 0.3 1 820 86 91 ALA CB C 17.344 0.3 1 821 86 91 ALA N N 124.206 0.3 1 822 87 92 LEU H H 8.140 0.020 1 823 87 92 LEU HA H 3.821 0.020 1 824 87 92 LEU HB2 H 2.095 0.020 2 825 87 92 LEU HB3 H 1.228 0.020 2 826 87 92 LEU HG H 1.733 0.020 1 827 87 92 LEU HD1 H 0.733 0.020 2 828 87 92 LEU HD2 H 0.811 0.020 2 829 87 92 LEU C C 178.709 0.3 1 830 87 92 LEU CA C 58.354 0.3 1 831 87 92 LEU CB C 42.594 0.3 1 832 87 92 LEU CG C 27.847 0.3 1 833 87 92 LEU CD1 C 24.858 0.3 1 834 87 92 LEU CD2 C 27.841 0.3 1 835 87 92 LEU N N 116.463 0.3 1 836 88 93 VAL H H 8.716 0.020 1 837 88 93 VAL HA H 3.403 0.020 1 838 88 93 VAL HB H 2.001 0.020 1 839 88 93 VAL HG1 H 0.901 0.020 2 840 88 93 VAL HG2 H 0.968 0.020 2 841 88 93 VAL C C 177.766 0.3 1 842 88 93 VAL CA C 66.665 0.3 1 843 88 93 VAL CB C 31.447 0.3 1 844 88 93 VAL CG1 C 22.267 0.3 1 845 88 93 VAL CG2 C 24.799 0.3 1 846 88 93 VAL N N 118.854 0.3 1 847 89 94 HIS H H 8.664 0.020 1 848 89 94 HIS HA H 4.039 0.020 1 849 89 94 HIS HB2 H 3.136 0.020 1 850 89 94 HIS HB3 H 3.136 0.020 1 851 89 94 HIS HD2 H 6.535 0.020 1 852 89 94 HIS HE1 H 7.512 0.020 1 853 89 94 HIS C C 178.880 0.3 1 854 89 94 HIS CA C 61.322 0.3 1 855 89 94 HIS CB C 31.748 0.3 1 856 89 94 HIS CD2 C 116.550 0.3 1 857 89 94 HIS CE1 C 139.582 0.3 1 858 89 94 HIS N N 121.227 0.3 1 859 90 95 VAL H H 7.994 0.020 1 860 90 95 VAL HA H 3.567 0.020 1 861 90 95 VAL HB H 2.129 0.020 1 862 90 95 VAL HG1 H 1.167 0.020 2 863 90 95 VAL HG2 H 0.890 0.020 2 864 90 95 VAL C C 177.733 0.3 1 865 90 95 VAL CA C 66.830 0.3 1 866 90 95 VAL CB C 31.600 0.3 1 867 90 95 VAL CG1 C 23.882 0.3 1 868 90 95 VAL CG2 C 22.611 0.3 1 869 90 95 VAL N N 118.094 0.3 1 870 91 96 LEU H H 8.393 0.020 1 871 91 96 LEU HA H 3.832 0.020 1 872 91 96 LEU HB2 H 1.785 0.020 2 873 91 96 LEU HB3 H 1.657 0.020 2 874 91 96 LEU HG H 1.685 0.020 1 875 91 96 LEU HD1 H 0.765 0.020 2 876 91 96 LEU HD2 H 0.683 0.020 2 877 91 96 LEU C C 178.869 0.3 1 878 91 96 LEU CA C 57.758 0.3 1 879 91 96 LEU CB C 41.939 0.3 1 880 91 96 LEU CG C 26.882 0.3 1 881 91 96 LEU CD1 C 24.957 0.3 1 882 91 96 LEU CD2 C 24.685 0.3 1 883 91 96 LEU N N 119.672 0.3 1 884 92 97 SER H H 7.900 0.020 1 885 92 97 SER HA H 4.297 0.020 1 886 92 97 SER HB2 H 3.934 0.020 1 887 92 97 SER HB3 H 3.934 0.020 1 888 92 97 SER C C 174.500 0.3 1 889 92 97 SER CA C 61.410 0.3 1 890 92 97 SER CB C 63.254 0.3 1 891 92 97 SER N N 113.554 0.3 1 892 93 98 SER H H 7.420 0.020 1 893 93 98 SER HA H 4.704 0.020 1 894 93 98 SER HB2 H 3.939 0.020 2 895 93 98 SER HB3 H 3.794 0.020 2 896 93 98 SER C C 173.044 0.3 1 897 93 98 SER CA C 57.967 0.3 1 898 93 98 SER CB C 64.574 0.3 1 899 93 98 SER N N 115.055 0.3 1 900 94 99 ALA H H 7.476 0.020 1 901 94 99 ALA HA H 4.629 0.020 1 902 94 99 ALA HB H 1.289 0.020 1 903 94 99 ALA C C 176.199 0.3 1 904 94 99 ALA CA C 51.469 0.3 1 905 94 99 ALA CB C 21.620 0.3 1 906 94 99 ALA N N 124.504 0.3 1 907 95 100 SER H H 8.483 0.020 1 908 95 100 SER HA H 4.758 0.020 1 909 95 100 SER HB2 H 3.870 0.020 2 910 95 100 SER HB3 H 3.786 0.020 2 911 95 100 SER C C 174.136 0.3 1 912 95 100 SER CA C 57.343 0.3 1 913 95 100 SER CB C 63.303 0.3 1 914 95 100 SER N N 115.739 0.3 1 915 96 101 ILE H H 8.869 0.020 1 916 96 101 ILE HA H 3.993 0.020 1 917 96 101 ILE HB H 1.883 0.020 1 918 96 101 ILE HG12 H 1.466 0.020 2 919 96 101 ILE HG13 H 1.009 0.020 2 920 96 101 ILE HG2 H 0.889 0.020 1 921 96 101 ILE HD1 H 0.759 0.020 1 922 96 101 ILE C C 175.868 0.3 1 923 96 101 ILE CA C 61.362 0.3 1 924 96 101 ILE CB C 38.613 0.3 1 925 96 101 ILE CG1 C 27.821 0.3 1 926 96 101 ILE CG2 C 18.600 0.3 1 927 96 101 ILE CD1 C 13.068 0.3 1 928 96 101 ILE N N 128.288 0.3 1 929 97 102 GLY H H 8.272 0.020 1 930 97 102 GLY HA2 H 3.630 0.020 2 931 97 102 GLY HA3 H 4.294 0.020 2 932 97 102 GLY C C 173.022 0.3 1 933 97 102 GLY CA C 44.870 0.3 1 934 97 102 GLY N N 115.495 0.3 1 935 98 103 ASN H H 8.420 0.020 1 936 98 103 ASN HA H 4.648 0.020 1 937 98 103 ASN HB2 H 2.650 0.020 2 938 98 103 ASN HB3 H 2.718 0.020 2 939 98 103 ASN HD21 H 6.893 0.020 1 940 98 103 ASN HD22 H 7.591 0.020 1 941 98 103 ASN C C 174.809 0.3 1 942 98 103 ASN CA C 53.426 0.3 1 943 98 103 ASN CB C 38.665 0.3 1 944 98 103 ASN N N 120.819 0.3 1 945 98 103 ASN ND2 N 113.113 0.3 1 946 99 104 VAL H H 8.292 0.020 1 947 99 104 VAL HA H 4.174 0.020 1 948 99 104 VAL HB H 1.915 0.020 1 949 99 104 VAL HG1 H 0.861 0.020 2 950 99 104 VAL HG2 H 0.879 0.020 2 951 99 104 VAL C C 174.500 0.3 1 952 99 104 VAL CA C 61.368 0.3 1 953 99 104 VAL CB C 33.406 0.3 1 954 99 104 VAL CG1 C 21.836 0.3 1 955 99 104 VAL CG2 C 21.585 0.3 1 956 99 104 VAL N N 122.960 0.3 1 957 100 105 SER H H 8.644 0.020 1 958 100 105 SER HA H 4.756 0.020 1 959 100 105 SER HB2 H 3.776 0.020 2 960 100 105 SER HB3 H 3.987 0.020 2 961 100 105 SER C C 174.235 0.3 1 962 100 105 SER CA C 56.687 0.3 1 963 100 105 SER CB C 64.904 0.3 1 964 100 105 SER N N 120.723 0.3 1 965 101 106 SER HA H 4.130 0.020 1 966 101 106 SER HB2 H 3.858 0.020 2 967 101 106 SER HB3 H 4.001 0.020 2 968 101 106 SER CA C 59.000 0.3 1 969 101 106 SER CB C 63.104 0.3 1 970 101 106 SER N N 117.236 0.3 1 971 102 107 VAL H H 8.090 0.020 1 972 102 107 VAL HA H 3.821 0.020 1 973 102 107 VAL HB H 1.933 0.020 1 974 102 107 VAL HG1 H 0.934 0.020 2 975 102 107 VAL HG2 H 0.992 0.020 2 976 102 107 VAL C C 177.545 0.3 1 977 102 107 VAL CA C 64.582 0.3 1 978 102 107 VAL CB C 31.480 0.3 1 979 102 107 VAL CG1 C 20.951 0.3 1 980 102 107 VAL CG2 C 21.928 0.3 1 981 102 107 VAL N N 124.874 0.3 1 982 103 108 GLY H H 9.051 0.020 1 983 103 108 GLY HA2 H 4.036 0.020 2 984 103 108 GLY HA3 H 4.365 0.020 2 985 103 108 GLY C C 176.387 0.3 1 986 103 108 GLY CA C 45.686 0.3 1 987 103 108 GLY N N 114.589 0.3 1 988 104 109 VAL H H 7.753 0.020 1 989 104 109 VAL HA H 3.348 0.020 1 990 104 109 VAL HB H 1.844 0.020 1 991 104 109 VAL HG1 H 0.677 0.020 2 992 104 109 VAL HG2 H 0.430 0.020 2 993 104 109 VAL C C 176.045 0.3 1 994 104 109 VAL CA C 65.889 0.3 1 995 104 109 VAL CB C 31.265 0.3 1 996 104 109 VAL CG1 C 21.103 0.3 1 997 104 109 VAL CG2 C 22.552 0.3 1 998 104 109 VAL N N 121.976 0.3 1 999 105 110 ASP H H 8.719 0.020 1 1000 105 110 ASP HA H 4.151 0.020 1 1001 105 110 ASP HB2 H 2.611 0.020 2 1002 105 110 ASP HB3 H 2.667 0.020 2 1003 105 110 ASP C C 178.406 0.3 1 1004 105 110 ASP CA C 56.710 0.3 1 1005 105 110 ASP CB C 38.652 0.3 1 1006 105 110 ASP N N 117.868 0.3 1 1007 106 111 SER H H 7.685 0.020 1 1008 106 111 SER HA H 4.306 0.020 1 1009 106 111 SER HB2 H 4.015 0.020 1 1010 106 111 SER HB3 H 4.015 0.020 1 1011 106 111 SER C C 176.784 0.3 1 1012 106 111 SER CA C 61.523 0.3 1 1013 106 111 SER CB C 62.480 0.3 1 1014 106 111 SER N N 117.500 0.3 1 1015 107 112 THR H H 8.024 0.020 1 1016 107 112 THR HA H 4.373 0.020 1 1017 107 112 THR HB H 3.843 0.020 1 1018 107 112 THR HG2 H 1.326 0.020 1 1019 107 112 THR C C 176.227 0.3 1 1020 107 112 THR CA C 66.648 0.3 1 1021 107 112 THR CB C 66.884 0.3 1 1022 107 112 THR CG2 C 25.239 0.3 1 1023 107 112 THR N N 121.741 0.3 1 1024 108 113 LEU H H 8.475 0.020 1 1025 108 113 LEU HA H 3.916 0.020 1 1026 108 113 LEU HB2 H 1.894 0.020 2 1027 108 113 LEU HB3 H 1.389 0.020 2 1028 108 113 LEU HG H 1.574 0.020 1 1029 108 113 LEU HD1 H 0.892 0.020 2 1030 108 113 LEU HD2 H 1.039 0.020 2 1031 108 113 LEU C C 178.560 0.3 1 1032 108 113 LEU CA C 59.169 0.3 1 1033 108 113 LEU CB C 41.029 0.3 1 1034 108 113 LEU CG C 28.812 0.3 1 1035 108 113 LEU CD1 C 25.532 0.3 1 1036 108 113 LEU CD2 C 23.960 0.3 1 1037 108 113 LEU N N 122.175 0.3 1 1038 109 114 ASN H H 7.567 0.020 1 1039 109 114 ASN HA H 4.486 0.020 1 1040 109 114 ASN HB2 H 2.923 0.020 1 1041 109 114 ASN HB3 H 2.923 0.020 1 1042 109 114 ASN HD21 H 6.854 0.020 1 1043 109 114 ASN HD22 H 7.468 0.020 1 1044 109 114 ASN C C 177.181 0.3 1 1045 109 114 ASN CA C 56.499 0.3 1 1046 109 114 ASN CB C 38.985 0.3 1 1047 109 114 ASN N N 116.499 0.3 1 1048 109 114 ASN ND2 N 111.199 0.3 1 1049 110 115 VAL H H 7.978 0.020 1 1050 110 115 VAL HA H 3.877 0.020 1 1051 110 115 VAL HB H 2.415 0.020 1 1052 110 115 VAL HG1 H 1.108 0.020 2 1053 110 115 VAL HG2 H 0.969 0.020 2 1054 110 115 VAL C C 180.116 0.3 1 1055 110 115 VAL CA C 66.236 0.3 1 1056 110 115 VAL CB C 31.560 0.3 1 1057 110 115 VAL CG1 C 22.914 0.3 1 1058 110 115 VAL CG2 C 20.995 0.3 1 1059 110 115 VAL N N 121.382 0.3 1 1060 111 116 VAL H H 8.228 0.020 1 1061 111 116 VAL HA H 3.358 0.020 1 1062 111 116 VAL HB H 2.209 0.020 1 1063 111 116 VAL HG1 H 0.776 0.020 2 1064 111 116 VAL HG2 H 0.940 0.020 2 1065 111 116 VAL C C 177.424 0.3 1 1066 111 116 VAL CA C 68.182 0.3 1 1067 111 116 VAL CB C 31.106 0.3 1 1068 111 116 VAL CG1 C 21.595 0.3 1 1069 111 116 VAL CG2 C 22.940 0.3 1 1070 111 116 VAL N N 123.748 0.3 1 1071 112 117 GLN H H 8.719 0.020 1 1072 112 117 GLN HA H 3.598 0.020 1 1073 112 117 GLN HB2 H 2.164 0.020 2 1074 112 117 GLN HB3 H 2.211 0.020 2 1075 112 117 GLN HG2 H 2.455 0.020 2 1076 112 117 GLN HG3 H 2.107 0.020 2 1077 112 117 GLN HE21 H 7.709 0.020 1 1078 112 117 GLN HE22 H 7.007 0.020 1 1079 112 117 GLN C C 178.329 0.3 1 1080 112 117 GLN CA C 60.309 0.3 1 1081 112 117 GLN CB C 30.141 0.3 1 1082 112 117 GLN CG C 34.728 0.3 1 1083 112 117 GLN N N 120.331 0.3 1 1084 112 117 GLN NE2 N 112.751 0.3 1 1085 113 118 ASP H H 8.410 0.020 1 1086 113 118 ASP HA H 4.350 0.020 1 1087 113 118 ASP HB2 H 2.638 0.020 2 1088 113 118 ASP HB3 H 2.770 0.020 2 1089 113 118 ASP C C 178.406 0.3 1 1090 113 118 ASP CA C 57.029 0.3 1 1091 113 118 ASP CB C 41.294 0.3 1 1092 113 118 ASP N N 117.931 0.3 1 1093 114 119 SER H H 7.973 0.020 1 1094 114 119 SER HA H 4.310 0.020 1 1095 114 119 SER HB2 H 3.898 0.020 2 1096 114 119 SER HB3 H 3.675 0.020 2 1097 114 119 SER C C 175.416 0.3 1 1098 114 119 SER CA C 61.981 0.3 1 1099 114 119 SER CB C 63.618 0.3 1 1100 114 119 SER N N 113.798 0.3 1 1101 115 120 VAL H H 8.090 0.020 1 1102 115 120 VAL HA H 4.207 0.020 1 1103 115 120 VAL HB H 2.041 0.020 1 1104 115 120 VAL HG1 H 0.810 0.020 2 1105 115 120 VAL HG2 H 0.865 0.020 2 1106 115 120 VAL C C 177.325 0.3 1 1107 115 120 VAL CA C 63.264 0.3 1 1108 115 120 VAL CB C 32.367 0.3 1 1109 115 120 VAL CG1 C 21.260 0.3 1 1110 115 120 VAL CG2 C 21.256 0.3 1 1111 115 120 VAL N N 115.306 0.3 1 1112 116 121 GLY H H 7.991 0.020 1 1113 116 121 GLY HA2 H 4.070 0.020 2 1114 116 121 GLY HA3 H 3.653 0.020 2 1115 116 121 GLY C C 175.129 0.3 1 1116 116 121 GLY CA C 47.830 0.3 1 1117 116 121 GLY N N 107.952 0.3 1 1118 117 122 GLN H H 7.721 0.020 1 1119 117 122 GLN HA H 4.053 0.020 1 1120 117 122 GLN HB2 H 1.676 0.020 2 1121 117 122 GLN HB3 H 1.631 0.020 2 1122 117 122 GLN HG2 H 1.501 0.020 2 1123 117 122 GLN HG3 H 1.868 0.020 2 1124 117 122 GLN HE21 H 7.301 0.020 1 1125 117 122 GLN HE22 H 6.701 0.020 1 1126 117 122 GLN C C 176.056 0.3 1 1127 117 122 GLN CA C 57.056 0.3 1 1128 117 122 GLN CB C 28.492 0.3 1 1129 117 122 GLN CG C 33.101 0.3 1 1130 117 122 GLN N N 116.191 0.3 1 1131 117 122 GLN NE2 N 112.210 0.3 1 1132 118 123 TYR H H 7.685 0.020 1 1133 118 123 TYR HA H 4.226 0.020 1 1134 118 123 TYR HB2 H 2.417 0.020 2 1135 118 123 TYR HB3 H 2.840 0.020 2 1136 118 123 TYR HD1 H 6.457 0.020 1 1137 118 123 TYR HD2 H 6.457 0.020 1 1138 118 123 TYR HE1 H 6.512 0.020 1 1139 118 123 TYR HE2 H 6.512 0.020 1 1140 118 123 TYR C C 174.919 0.3 1 1141 118 123 TYR CA C 58.651 0.3 1 1142 118 123 TYR CB C 38.991 0.3 1 1143 118 123 TYR CD1 C 132.541 0.3 1 1144 118 123 TYR CD2 C 132.541 0.3 1 1145 118 123 TYR CE1 C 118.066 0.3 1 1146 118 123 TYR CE2 C 118.066 0.3 1 1147 118 123 TYR N N 116.504 0.3 1 1148 119 124 VAL H H 7.132 0.020 1 1149 119 124 VAL HA H 4.194 0.020 1 1150 119 124 VAL HB H 2.160 0.020 1 1151 119 124 VAL HG1 H 0.868 0.020 2 1152 119 124 VAL HG2 H 0.896 0.020 2 1153 119 124 VAL C C 174.666 0.3 1 1154 119 124 VAL CA C 61.962 0.3 1 1155 119 124 VAL CB C 32.617 0.3 1 1156 119 124 VAL CG1 C 21.922 0.3 1 1157 119 124 VAL CG2 C 20.301 0.3 1 1158 119 124 VAL N N 115.145 0.3 1 1159 120 125 GLY H H 7.782 0.020 1 1160 120 125 GLY HA2 H 3.679 0.020 2 1161 120 125 GLY HA3 H 3.755 0.020 2 1162 120 125 GLY C C 178.605 0.3 1 1163 120 125 GLY CA C 46.216 0.3 1 1164 120 125 GLY N N 116.958 0.3 1 stop_ save_