data_15693 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Human Pax8 Paired Box Domain ; _BMRB_accession_number 15693 _BMRB_flat_file_name bmr15693.str _Entry_type original _Submission_date 2008-03-26 _Accession_date 2008-03-26 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Pax8 Paired Box Domain unveiled by means of 3D NMR techniques.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Codutti Luca . . 2 Esposito Gennaro . . 3 Corazza Alessandra . . 4 Fogolari Federico . . 5 Tell Gianluca . . 6 Vascotto Carlo . . 7 'van Ingen' Hugo . . 8 Boelens Rolf . . 9 Viglino Paolo . . 10 Quadrifoglio Franco . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 759 "13C chemical shifts" 558 "15N chemical shifts" 151 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-02-20 update BMRB 'complete entry citation' 2008-10-23 update BMRB 'updating citation section' 2008-09-22 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'The solution structure of DNA-free Pax-8 Paired Box domain accounts for redox regulation of transcriptional activity in Pax protein family' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18829450 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Codutti Luca . . 2 'van Ingen' Hugo . . 3 Vascotto Carlo . . 4 Fogolari Federico . . 5 Corazza Alessandra . . 6 Tell Gianluca . . 7 Quadrifoglio Franco . . 8 Viglino Paolo . . 9 Boelens Rolf . . 10 Esposito Gennaro . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 283 _Journal_issue 48 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 33321 _Page_last 33328 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Pax8 paired Box Domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Pax8 PAIRED' $Pax8_Paired_Box_Domain 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_Pax8_Paired_Box_Domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Pax8_Paired_Box_Domain _Molecular_mass 17416.87 _Mol_thiol_state 'all free' loop_ _Biological_function 'DNA binding domain' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 159 _Mol_residue_sequence ; MPHNSIRSGHGGLNQLGGAF VNGRPLPEVVRQRIVDLAHQ GVRPCDISRQLRVSHGCVSK ILGRYYETGSIRPGVIGGSK PKVATPKVVEKIGDYKRQNP TMFAWEIRDRLLAEGVCDND TVPSVSSINRIIRTKVQQPF NLPMDSGAPGGGSHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 PRO 3 HIS 4 ASN 5 SER 6 ILE 7 ARG 8 SER 9 GLY 10 HIS 11 GLY 12 GLY 13 LEU 14 ASN 15 GLN 16 LEU 17 GLY 18 GLY 19 ALA 20 PHE 21 VAL 22 ASN 23 GLY 24 ARG 25 PRO 26 LEU 27 PRO 28 GLU 29 VAL 30 VAL 31 ARG 32 GLN 33 ARG 34 ILE 35 VAL 36 ASP 37 LEU 38 ALA 39 HIS 40 GLN 41 GLY 42 VAL 43 ARG 44 PRO 45 CYS 46 ASP 47 ILE 48 SER 49 ARG 50 GLN 51 LEU 52 ARG 53 VAL 54 SER 55 HIS 56 GLY 57 CYS 58 VAL 59 SER 60 LYS 61 ILE 62 LEU 63 GLY 64 ARG 65 TYR 66 TYR 67 GLU 68 THR 69 GLY 70 SER 71 ILE 72 ARG 73 PRO 74 GLY 75 VAL 76 ILE 77 GLY 78 GLY 79 SER 80 LYS 81 PRO 82 LYS 83 VAL 84 ALA 85 THR 86 PRO 87 LYS 88 VAL 89 VAL 90 GLU 91 LYS 92 ILE 93 GLY 94 ASP 95 TYR 96 LYS 97 ARG 98 GLN 99 ASN 100 PRO 101 THR 102 MET 103 PHE 104 ALA 105 TRP 106 GLU 107 ILE 108 ARG 109 ASP 110 ARG 111 LEU 112 LEU 113 ALA 114 GLU 115 GLY 116 VAL 117 CYS 118 ASP 119 ASN 120 ASP 121 THR 122 VAL 123 PRO 124 SER 125 VAL 126 SER 127 SER 128 ILE 129 ASN 130 ARG 131 ILE 132 ILE 133 ARG 134 THR 135 LYS 136 VAL 137 GLN 138 GLN 139 PRO 140 PHE 141 ASN 142 LEU 143 PRO 144 MET 145 ASP 146 SER 147 GLY 148 ALA 149 PRO 150 GLY 151 GLY 152 GLY 153 SER 154 HIS 155 HIS 156 HIS 157 HIS 158 HIS 159 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2K27 "Solution Structure Of Human Pax8 Paired Box Domain" 100.00 159 100.00 100.00 3.53e-111 DBJ BAF84880 "unnamed protein product [Homo sapiens]" 91.82 450 100.00 100.00 3.41e-99 DBJ BAI46656 "paired box 8 [synthetic construct]" 91.82 450 100.00 100.00 3.41e-99 EMBL CAA40725 "Pax8 [Mus musculus]" 91.82 457 100.00 100.00 2.46e-99 EMBL CAA58571 "Pax-8 [Canis lupus familiaris]" 91.82 459 100.00 100.00 3.27e-99 EMBL CAA58572 "Pax-8 [Canis lupus familiaris]" 91.82 413 100.00 100.00 4.63e-98 EMBL CAA63930 "Pax-8 [Rattus norvegicus]" 91.82 458 100.00 100.00 3.70e-99 EMBL CAA67904 "Pax-8 [Mus musculus]" 91.82 457 100.00 100.00 2.46e-99 GB AAA03539 "paired box homeotic protein [Homo sapiens]" 91.82 450 100.00 100.00 3.41e-99 GB AAB34216 "PAX8 [Homo sapiens]" 91.82 398 100.00 100.00 6.92e-99 GB AAB34217 "paired box protein 8 isoform d [Homo sapiens]" 91.82 321 100.00 100.00 2.07e-99 GB AAB34218 "paired box protein 8 isoform 3 [Homo sapiens]" 91.82 287 100.00 100.00 3.56e-100 GB AAH01060 "Paired box 8 [Homo sapiens]" 91.82 450 100.00 100.00 3.41e-99 REF NP_001003248 "paired box protein Pax-8 [Canis lupus familiaris]" 91.82 413 100.00 100.00 4.63e-98 REF NP_001126820 "paired box protein Pax-8 isoform 2 [Pongo abelii]" 91.82 456 100.00 100.00 3.23e-99 REF NP_001128942 "paired box protein Pax-8 isoform 1 [Pongo abelii]" 92.45 457 98.64 98.64 8.25e-97 REF NP_003457 "paired box protein Pax-8 isoform PAX8A [Homo sapiens]" 91.82 450 100.00 100.00 3.41e-99 REF NP_035170 "paired box protein Pax-8 [Mus musculus]" 91.82 457 100.00 100.00 2.46e-99 SP P47240 "RecName: Full=Paired box protein Pax-8" 91.82 459 100.00 100.00 3.27e-99 SP P51974 "RecName: Full=Paired box protein Pax-8" 91.82 457 100.00 100.00 2.99e-99 SP Q00288 "RecName: Full=Paired box protein Pax-8" 91.82 457 100.00 100.00 2.46e-99 SP Q06710 "RecName: Full=Paired box protein Pax-8" 91.82 450 100.00 100.00 3.41e-99 SP Q5R9M8 "RecName: Full=Paired box protein Pax-8" 92.45 457 98.64 98.64 8.25e-97 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Pax8_Paired_Box_Domain Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name _Details $Pax8_Paired_Box_Domain 'recombinant technology' . Escherichia coli BL21-DE3 pLysS pIVEX2.3 'see Cao X, Kambe F, Lu X, Kobayashi N, Ohmori S, and Seo H, J. Biol. Chem. Vol. 280, No. 27, pp. 25901 25906, 2005' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'DTT was added for maintaining Pax8 in reduced state. Oxidation leads to polymerization and precipitation.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pax8_Paired_Box_Domain 0.9 mM '[U-100% 13C; U-100% 15N]' DSS 40 uM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' DTT 15 mM '[U-100% 2H]' 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_TALOS _Saveframe_category software _Name TALOS _Version '(NMR-Pipe 3.5)' loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version 3.4 loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task validation stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4 loop_ _Vendor _Address _Electronic_address 'Rochus Keller' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details 'Copyright (c) 2000-2007 by Rochus Keller & DATONAL AG, CH-6343 Rotkreuz' save_ save_DISCOVER _Saveframe_category software _Name DISCOVER _Version 2.98 loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_AQUA _Saveframe_category software _Name AQUA _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Rullmann, Doreleijers and Kaptein' . . stop_ loop_ _Task validation stop_ _Details . save_ save_WhatIF _Saveframe_category software _Name WhatIF _Version . loop_ _Vendor _Address _Electronic_address Vriend . . stop_ loop_ _Task validation stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance 2' _Field_strength 750 _Details . 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_2D_1H-13C_HSQC_CT_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC CT' _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_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_CBCANH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _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' 50 5 mM pH 6.2 0.1 pH pressure 1 . atm temperature 298.00 0.1 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 DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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' '2D 1H-13C HSQC CT' 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 'Pax8 PAIRED' _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 3 3 HIS H H 8.20 0.01 1 2 3 3 HIS HA H 4.44 0.01 1 3 3 3 HIS CA C 53.22 0.1 1 4 3 3 HIS CB C 31.73 0.1 1 5 3 3 HIS N N 124.44 0.1 1 6 4 4 ASN H H 8.26 0.01 1 7 4 4 ASN CA C 54.17 0.1 1 8 4 4 ASN CB C 41.15 0.1 1 9 4 4 ASN N N 123.94 0.1 1 10 5 5 SER H H 8.37 0.01 1 11 5 5 SER CA C 58.32 0.1 1 12 5 5 SER N N 116.49 0.1 1 13 6 6 ILE H H 8.18 0.01 1 14 6 6 ILE C C 176.10 0.1 1 15 6 6 ILE CA C 61.21 0.1 1 16 6 6 ILE CB C 38.24 0.1 1 17 6 6 ILE N N 122.78 0.1 1 18 7 7 ARG H H 8.39 0.01 1 19 7 7 ARG HA H 4.36 0.01 1 20 7 7 ARG HB2 H 1.77 0.01 2 21 7 7 ARG HB3 H 1.84 0.01 2 22 7 7 ARG HD2 H 3.16 0.01 1 23 7 7 ARG HG2 H 1.61 0.01 2 24 7 7 ARG HG3 H 1.58 0.01 2 25 7 7 ARG C C 176.02 0.1 1 26 7 7 ARG CA C 55.74 0.1 1 27 7 7 ARG CB C 30.58 0.1 1 28 7 7 ARG CD C 43.05 0.1 1 29 7 7 ARG CG C 26.96 0.1 1 30 7 7 ARG N N 125.09 0.1 1 31 8 8 SER H H 8.31 0.01 1 32 8 8 SER HA H 4.38 0.01 1 33 8 8 SER HB3 H 3.92 0.01 1 34 8 8 SER C C 174.83 0.1 1 35 8 8 SER CA C 58.47 0.1 1 36 8 8 SER CB C 63.55 0.1 1 37 8 8 SER N N 117.25 0.1 1 38 9 9 GLY H H 8.38 0.01 1 39 9 9 GLY HA2 H 3.95 0.01 1 40 9 9 GLY C C 173.85 0.1 1 41 9 9 GLY CA C 45.11 0.1 1 42 9 9 GLY N N 110.62 0.1 1 43 10 10 HIS H H 8.26 0.01 1 44 10 10 HIS HA H 4.60 0.01 1 45 10 10 HIS HB2 H 3.10 0.01 2 46 10 10 HIS HB3 H 3.01 0.01 2 47 10 10 HIS C C 175.61 0.1 1 48 10 10 HIS CA C 55.76 0.1 1 49 10 10 HIS CB C 29.99 0.1 1 50 10 10 HIS N N 119.32 0.1 1 51 11 11 GLY H H 8.53 0.01 1 52 11 11 GLY HA2 H 3.93 0.01 1 53 11 11 GLY C C 174.42 0.1 1 54 11 11 GLY CA C 45.29 0.1 1 55 11 11 GLY N N 110.30 0.1 1 56 12 12 GLY H H 8.35 0.01 1 57 12 12 GLY HA2 H 3.95 0.01 1 58 12 12 GLY C C 174.06 0.1 1 59 12 12 GLY CA C 45.01 0.1 1 60 12 12 GLY N N 108.95 0.1 1 61 13 13 LEU H H 8.18 0.01 1 62 13 13 LEU HA H 4.31 0.01 1 63 13 13 LEU HB3 H 1.61 0.01 1 64 13 13 LEU HD1 H 0.87 0.01 1 65 13 13 LEU C C 177.17 0.1 1 66 13 13 LEU CA C 55.17 0.1 1 67 13 13 LEU CB C 42.07 0.1 1 68 13 13 LEU CD1 C 24.84 0.1 1 69 13 13 LEU CD2 C 23.36 0.1 1 70 13 13 LEU CG C 26.72 0.1 1 71 13 13 LEU N N 121.53 0.1 1 72 14 14 ASN H H 8.48 0.01 1 73 14 14 ASN HA H 4.63 0.01 1 74 14 14 ASN HB2 H 2.81 0.01 2 75 14 14 ASN HB3 H 2.74 0.01 2 76 14 14 ASN HD21 H 7.58 0.01 1 77 14 14 ASN HD22 H 6.89 0.01 1 78 14 14 ASN C C 174.96 0.1 1 79 14 14 ASN CA C 53.22 0.1 1 80 14 14 ASN CB C 38.39 0.1 1 81 14 14 ASN N N 119.01 0.1 1 82 14 14 ASN ND2 N 112.87 0.1 1 83 15 15 GLN H H 8.28 0.01 1 84 15 15 GLN HA H 4.30 0.01 1 85 15 15 GLN HB2 H 2.09 0.01 2 86 15 15 GLN HB3 H 1.93 0.01 2 87 15 15 GLN HE21 H 6.83 0.01 1 88 15 15 GLN HE22 H 7.52 0.01 1 89 15 15 GLN HG2 H 2.28 0.01 1 90 15 15 GLN C C 175.77 0.1 1 91 15 15 GLN CA C 55.83 0.1 1 92 15 15 GLN CB C 29.13 0.1 1 93 15 15 GLN CG C 33.61 0.1 1 94 15 15 GLN N N 120.34 0.1 1 95 15 15 GLN NE2 N 112.68 0.1 1 96 16 16 LEU H H 8.25 0.01 1 97 16 16 LEU HA H 4.33 0.01 1 98 16 16 LEU HB2 H 1.66 0.01 2 99 16 16 LEU HB3 H 1.58 0.01 2 100 16 16 LEU HD1 H 0.83 0.01 1 101 16 16 LEU HG H 0.89 0.01 1 102 16 16 LEU C C 177.66 0.1 1 103 16 16 LEU CA C 55.16 0.1 1 104 16 16 LEU CB C 42.04 0.1 1 105 16 16 LEU CD1 C 22.87 0.1 1 106 16 16 LEU CD2 C 23.16 0.1 1 107 16 16 LEU CG C 24.62 0.1 1 108 16 16 LEU N N 122.68 0.1 1 109 17 17 GLY H H 8.35 0.01 1 110 17 17 GLY HA2 H 3.95 0.01 1 111 17 17 GLY C C 174.34 0.1 1 112 17 17 GLY CA C 45.20 0.1 1 113 17 17 GLY N N 109.39 0.1 1 114 18 18 GLY H H 8.19 0.01 1 115 18 18 GLY HA2 H 3.91 0.01 1 116 18 18 GLY C C 173.39 0.1 1 117 18 18 GLY CA C 44.96 0.1 1 118 18 18 GLY N N 108.50 0.1 1 119 19 19 ALA H H 8.06 0.01 1 120 19 19 ALA HA H 4.30 0.01 1 121 19 19 ALA HB H 1.23 0.01 1 122 19 19 ALA C C 176.68 0.1 1 123 19 19 ALA CA C 51.89 0.1 1 124 19 19 ALA CB C 18.97 0.1 1 125 19 19 ALA N N 123.25 0.1 1 126 20 20 PHE H H 8.18 0.01 1 127 20 20 PHE HA H 4.78 0.01 1 128 20 20 PHE HB2 H 3.07 0.01 2 129 20 20 PHE HB3 H 2.92 0.01 2 130 20 20 PHE HD1 H 7.19 0.01 1 131 20 20 PHE HE1 H 7.33 0.01 1 132 20 20 PHE HZ H 7.32 0.01 1 133 20 20 PHE C C 175.65 0.1 1 134 20 20 PHE CA C 57.32 0.1 1 135 20 20 PHE CB C 40.10 0.1 1 136 20 20 PHE CD1 C 130.74 0.1 1 137 20 20 PHE CE1 C 130.98 0.1 1 138 20 20 PHE CZ C 128.80 0.1 1 139 20 20 PHE N N 119.46 0.1 1 140 21 21 VAL H H 8.19 0.01 1 141 21 21 VAL HA H 3.87 0.01 1 142 21 21 VAL HB H 1.66 0.01 1 143 21 21 VAL HG1 H 0.90 0.01 1 144 21 21 VAL C C 175.55 0.1 1 145 21 21 VAL CA C 62.03 0.1 1 146 21 21 VAL CB C 32.43 0.1 1 147 21 21 VAL CG1 C 20.74 0.1 1 148 21 21 VAL N N 121.51 0.1 1 149 22 22 ASN H H 8.60 0.01 1 150 22 22 ASN HA H 4.60 0.01 1 151 22 22 ASN HB2 H 2.72 0.01 2 152 22 22 ASN HB3 H 2.60 0.01 2 153 22 22 ASN HD21 H 7.65 0.01 1 154 22 22 ASN HD22 H 6.86 0.01 1 155 22 22 ASN CA C 53.54 0.1 1 156 22 22 ASN CB C 38.37 0.1 1 157 22 22 ASN N N 122.93 0.1 1 158 22 22 ASN ND2 N 112.93 0.1 1 159 23 23 GLY H H 8.37 0.01 1 160 23 23 GLY HA2 H 4.03 0.01 2 161 23 23 GLY HA3 H 3.80 0.01 2 162 23 23 GLY C C 173.49 0.1 1 163 23 23 GLY CA C 45.10 0.1 1 164 23 23 GLY N N 108.22 0.1 1 165 24 24 ARG H H 7.87 0.01 1 166 24 24 ARG HA H 4.65 0.01 1 167 24 24 ARG HB3 H 1.81 0.01 1 168 24 24 ARG HD2 H 3.18 0.01 1 169 24 24 ARG HG2 H 1.65 0.01 1 170 24 24 ARG C C 173.57 0.1 1 171 24 24 ARG CA C 53.57 0.1 1 172 24 24 ARG CB C 30.00 0.1 1 173 24 24 ARG CG C 26.44 0.1 1 174 24 24 ARG N N 121.26 0.1 1 175 25 25 PRO HA H 4.36 0.01 1 176 25 25 PRO HB2 H 2.27 0.01 2 177 25 25 PRO HB3 H 2.00 0.01 2 178 25 25 PRO HD2 H 3.79 0.01 2 179 25 25 PRO HD3 H 3.62 0.01 2 180 25 25 PRO HG2 H 2.01 0.01 1 181 25 25 PRO HG3 H 1.96 0.01 2 182 25 25 PRO CA C 62.02 0.1 1 183 25 25 PRO CB C 32.10 0.1 1 184 25 25 PRO CD C 50.22 0.1 1 185 25 25 PRO CG C 26.17 0.1 1 186 26 26 LEU H H 8.43 0.01 1 187 26 26 LEU HA H 4.51 0.01 1 188 26 26 LEU HB2 H 1.47 0.01 2 189 26 26 LEU HB3 H 1.38 0.01 2 190 26 26 LEU HD1 H 0.78 0.01 1 191 26 26 LEU HD2 H 0.83 0.01 1 192 26 26 LEU HG H 1.63 0.01 1 193 26 26 LEU CA C 52.56 0.1 1 194 26 26 LEU CB C 42.29 0.1 1 195 26 26 LEU CD1 C 24.68 0.1 1 196 26 26 LEU CD2 C 24.95 0.1 1 197 26 26 LEU CG C 26.71 0.1 1 198 26 26 LEU N N 124.62 0.1 1 199 27 27 PRO HA H 4.46 0.01 1 200 27 27 PRO HB2 H 2.52 0.01 1 201 27 27 PRO HD2 H 4.03 0.01 2 202 27 27 PRO HD3 H 3.40 0.01 2 203 27 27 PRO HG2 H 2.10 0.01 1 204 27 27 PRO CA C 62.92 0.1 1 205 27 27 PRO CB C 32.12 0.1 1 206 27 27 PRO CD C 50.67 0.1 1 207 27 27 PRO CG C 27.37 0.1 1 208 28 28 GLU H H 8.94 0.01 1 209 28 28 GLU HA H 4.00 0.01 1 210 28 28 GLU HB2 H 2.10 0.01 2 211 28 28 GLU HB3 H 1.98 0.01 2 212 28 28 GLU HG2 H 2.34 0.01 2 213 28 28 GLU HG3 H 2.27 0.01 2 214 28 28 GLU CA C 59.51 0.1 1 215 28 28 GLU CB C 28.96 0.1 1 216 28 28 GLU CG C 35.42 0.1 1 217 28 28 GLU N N 125.22 0.1 1 218 29 29 VAL H H 8.33 0.01 1 219 29 29 VAL HA H 3.96 0.01 1 220 29 29 VAL HB H 2.12 0.01 1 221 29 29 VAL HG1 H 0.97 0.01 1 222 29 29 VAL HG2 H 1.00 0.01 1 223 29 29 VAL CA C 64.85 0.1 1 224 29 29 VAL CB C 31.18 0.1 1 225 29 29 VAL CG1 C 20.39 0.1 1 226 29 29 VAL CG2 C 20.86 0.1 1 227 29 29 VAL N N 115.40 0.1 1 228 30 30 VAL H H 7.09 0.01 1 229 30 30 VAL HA H 3.65 0.01 1 230 30 30 VAL HB H 2.01 0.01 1 231 30 30 VAL HG1 H 0.99 0.01 1 232 30 30 VAL HG2 H 0.92 0.01 1 233 30 30 VAL C C 176.89 0.1 1 234 30 30 VAL CA C 65.71 0.1 1 235 30 30 VAL CB C 31.43 0.1 1 236 30 30 VAL CG1 C 22.22 0.1 1 237 30 30 VAL CG2 C 21.42 0.1 1 238 30 30 VAL N N 121.14 0.1 1 239 31 31 ARG H H 7.76 0.01 1 240 31 31 ARG HA H 3.67 0.01 1 241 31 31 ARG HB2 H 1.89 0.01 2 242 31 31 ARG HB3 H 1.80 0.01 2 243 31 31 ARG HD2 H 3.11 0.01 1 244 31 31 ARG HG2 H 1.55 0.01 2 245 31 31 ARG HG3 H 1.40 0.01 2 246 31 31 ARG CA C 60.44 0.1 1 247 31 31 ARG CB C 29.44 0.1 1 248 31 31 ARG CD C 42.58 0.1 1 249 31 31 ARG CG C 27.04 0.1 1 250 31 31 ARG N N 120.06 0.1 1 251 32 32 GLN H H 8.27 0.01 1 252 32 32 GLN HA H 3.76 0.01 1 253 32 32 GLN HB2 H 2.12 0.01 2 254 32 32 GLN HB3 H 2.01 0.01 2 255 32 32 GLN HE21 H 7.81 0.01 1 256 32 32 GLN HE22 H 6.73 0.01 1 257 32 32 GLN HG2 H 2.41 0.01 2 258 32 32 GLN HG3 H 2.32 0.01 2 259 32 32 GLN C C 177.38 0.1 1 260 32 32 GLN CA C 57.86 0.1 1 261 32 32 GLN CB C 27.94 0.1 1 262 32 32 GLN CG C 33.32 0.1 1 263 32 32 GLN N N 115.42 0.1 1 264 32 32 GLN NE2 N 114.32 0.1 1 265 33 33 ARG H H 7.60 0.01 1 266 33 33 ARG HA H 4.13 0.01 1 267 33 33 ARG HB3 H 1.98 0.01 1 268 33 33 ARG HD2 H 3.25 0.01 1 269 33 33 ARG HG2 H 1.80 0.01 1 270 33 33 ARG C C 177.87 0.1 1 271 33 33 ARG CA C 58.53 0.1 1 272 33 33 ARG CB C 29.63 0.1 1 273 33 33 ARG CD C 42.88 0.1 1 274 33 33 ARG CG C 27.02 0.1 1 275 33 33 ARG N N 119.64 0.1 1 276 34 34 ILE H H 7.99 0.01 1 277 34 34 ILE HA H 3.39 0.01 1 278 34 34 ILE HB H 2.06 0.01 1 279 34 34 ILE HD1 H 0.73 0.01 1 280 34 34 ILE HG12 H 1.85 0.01 2 281 34 34 ILE HG13 H 0.65 0.01 2 282 34 34 ILE HG2 H 0.83 0.01 1 283 34 34 ILE CA C 66.10 0.1 1 284 34 34 ILE CB C 37.79 0.1 1 285 34 34 ILE CD1 C 15.09 0.1 1 286 34 34 ILE CG1 C 29.51 0.1 1 287 34 34 ILE CG2 C 16.84 0.1 1 288 34 34 ILE N N 119.32 0.1 1 289 35 35 VAL H H 7.34 0.01 1 290 35 35 VAL HA H 3.25 0.01 1 291 35 35 VAL HB H 1.93 0.01 1 292 35 35 VAL HG1 H 0.74 0.01 1 293 35 35 VAL HG2 H 0.57 0.01 1 294 35 35 VAL CA C 66.57 0.1 1 295 35 35 VAL CB C 31.55 0.1 1 296 35 35 VAL CG1 C 21.94 0.1 1 297 35 35 VAL CG2 C 20.82 0.1 1 298 35 35 VAL N N 118.02 0.1 1 299 36 36 ASP H H 8.64 0.01 1 300 36 36 ASP HA H 4.38 0.01 1 301 36 36 ASP HB2 H 2.79 0.01 2 302 36 36 ASP HB3 H 2.63 0.01 2 303 36 36 ASP CA C 57.47 0.1 1 304 36 36 ASP CB C 40.20 0.1 1 305 36 36 ASP N N 121.44 0.1 1 306 37 37 LEU H H 8.51 0.01 1 307 37 37 LEU HA H 3.99 0.01 1 308 37 37 LEU HB2 H 1.88 0.01 2 309 37 37 LEU HB3 H 1.06 0.01 2 310 37 37 LEU HD1 H 0.81 0.01 1 311 37 37 LEU HG H 0.84 0.01 1 312 37 37 LEU CA C 57.77 0.1 1 313 37 37 LEU CB C 41.45 0.1 1 314 37 37 LEU CD1 C 26.12 0.1 1 315 37 37 LEU CG C 22.25 0.1 1 316 37 37 LEU N N 119.94 0.1 1 317 38 38 ALA H H 8.17 0.01 1 318 38 38 ALA HA H 4.28 0.01 1 319 38 38 ALA HB H 1.34 0.01 1 320 38 38 ALA C C 182.41 0.1 1 321 38 38 ALA CA C 54.97 0.1 1 322 38 38 ALA CB C 18.08 0.1 1 323 38 38 ALA N N 123.22 0.1 1 324 39 39 HIS H H 8.49 0.01 1 325 39 39 HIS HA H 4.48 0.01 1 326 39 39 HIS HB2 H 3.42 0.01 2 327 39 39 HIS HB3 H 3.39 0.01 2 328 39 39 HIS HD2 H 7.23 0.01 1 329 39 39 HIS C C 176.49 0.1 1 330 39 39 HIS CA C 58.74 0.1 1 331 39 39 HIS CB C 28.67 0.1 1 332 39 39 HIS N N 119.21 0.1 1 333 40 40 GLN H H 7.76 0.01 1 334 40 40 GLN HA H 4.36 0.01 1 335 40 40 GLN HB2 H 2.38 0.01 2 336 40 40 GLN HB3 H 2.22 0.01 2 337 40 40 GLN HE21 H 7.27 0.01 1 338 40 40 GLN HE22 H 6.71 0.01 1 339 40 40 GLN HG2 H 2.47 0.01 2 340 40 40 GLN HG3 H 2.61 0.01 2 341 40 40 GLN C C 175.90 0.1 1 342 40 40 GLN CA C 55.93 0.1 1 343 40 40 GLN CB C 28.78 0.1 1 344 40 40 GLN CG C 33.64 0.1 1 345 40 40 GLN N N 117.62 0.1 1 346 40 40 GLN NE2 N 110.97 0.1 1 347 41 41 GLY H H 7.89 0.01 1 348 41 41 GLY HA2 H 4.24 0.01 2 349 41 41 GLY HA3 H 3.71 0.01 2 350 41 41 GLY C C 173.97 0.1 1 351 41 41 GLY CA C 45.00 0.1 1 352 41 41 GLY N N 107.17 0.1 1 353 42 42 VAL H H 7.74 0.01 1 354 42 42 VAL HA H 3.86 0.01 1 355 42 42 VAL HB H 1.53 0.01 1 356 42 42 VAL HG1 H 0.94 0.01 1 357 42 42 VAL HG2 H 1.01 0.01 1 358 42 42 VAL C C 175.93 0.1 1 359 42 42 VAL CA C 62.80 0.1 1 360 42 42 VAL CB C 30.88 0.1 1 361 42 42 VAL CG1 C 21.71 0.1 1 362 42 42 VAL CG2 C 22.05 0.1 1 363 42 42 VAL N N 123.25 0.1 1 364 43 43 ARG H H 9.06 0.01 1 365 43 43 ARG HA H 4.41 0.01 1 366 43 43 ARG HB2 H 2.04 0.01 2 367 43 43 ARG HB3 H 1.99 0.01 2 368 43 43 ARG HD2 H 3.22 0.01 1 369 43 43 ARG HG2 H 1.96 0.01 2 370 43 43 ARG HG3 H 1.86 0.01 2 371 43 43 ARG C C 176.76 0.1 1 372 43 43 ARG CA C 55.11 0.1 1 373 43 43 ARG CB C 29.72 0.1 1 374 43 43 ARG CG C 27.05 0.1 1 375 43 43 ARG N N 128.04 0.1 1 376 45 45 CYS H H 8.70 0.01 1 377 45 45 CYS HA H 4.22 0.01 1 378 45 45 CYS HB2 H 3.09 0.01 2 379 45 45 CYS HB3 H 2.87 0.01 2 380 45 45 CYS CA C 59.97 0.1 1 381 45 45 CYS CB C 26.36 0.1 1 382 45 45 CYS N N 114.38 0.1 1 383 46 46 ASP H H 7.41 0.01 1 384 46 46 ASP HA H 4.69 0.01 1 385 46 46 ASP HB2 H 2.85 0.01 2 386 46 46 ASP HB3 H 2.68 0.01 2 387 46 46 ASP CA C 56.78 0.1 1 388 46 46 ASP CB C 40.50 0.1 1 389 46 46 ASP N N 124.62 0.1 1 390 47 47 ILE H H 8.18 0.01 1 391 47 47 ILE HA H 3.95 0.01 1 392 47 47 ILE HB H 1.96 0.01 1 393 47 47 ILE HD1 H 0.75 0.01 1 394 47 47 ILE HG12 H 1.71 0.01 2 395 47 47 ILE HG13 H 0.62 0.01 2 396 47 47 ILE HG2 H 0.83 0.01 1 397 47 47 ILE C C 177.21 0.1 1 398 47 47 ILE CA C 66.45 0.1 1 399 47 47 ILE CB C 37.58 0.1 1 400 47 47 ILE CD1 C 12.67 0.1 1 401 47 47 ILE CG1 C 28.26 0.1 1 402 47 47 ILE CG2 C 18.66 0.1 1 403 47 47 ILE N N 123.55 0.1 1 404 48 48 SER H H 7.94 0.01 1 405 48 48 SER HA H 4.04 0.01 1 406 48 48 SER HB3 H 3.89 0.01 1 407 48 48 SER CA C 61.09 0.1 1 408 48 48 SER CB C 62.95 0.1 1 409 48 48 SER N N 112.06 0.1 1 410 49 49 ARG H H 7.27 0.01 1 411 49 49 ARG HA H 4.10 0.01 1 412 49 49 ARG HB2 H 1.99 0.01 2 413 49 49 ARG HB3 H 1.96 0.01 2 414 49 49 ARG HD2 H 3.26 0.01 1 415 49 49 ARG HG2 H 1.81 0.01 2 416 49 49 ARG HG3 H 1.66 0.01 2 417 49 49 ARG C C 178.63 0.1 1 418 49 49 ARG CA C 58.77 0.1 1 419 49 49 ARG CB C 30.38 0.1 1 420 49 49 ARG CD C 42.89 0.1 1 421 49 49 ARG CG C 27.06 0.1 1 422 49 49 ARG N N 118.70 0.1 1 423 50 50 GLN H H 8.28 0.01 1 424 50 50 GLN HA H 4.06 0.01 1 425 50 50 GLN HB2 H 2.09 0.01 2 426 50 50 GLN HB3 H 2.00 0.01 2 427 50 50 GLN HE21 H 7.09 0.01 1 428 50 50 GLN HE22 H 6.58 0.01 1 429 50 50 GLN HG2 H 2.46 0.01 2 430 50 50 GLN HG3 H 2.37 0.01 2 431 50 50 GLN C C 177.80 0.1 1 432 50 50 GLN CA C 58.85 0.1 1 433 50 50 GLN CB C 28.78 0.1 1 434 50 50 GLN CG C 33.93 0.1 1 435 50 50 GLN N N 117.67 0.1 1 436 50 50 GLN NE2 N 108.73 0.1 1 437 51 51 LEU H H 8.04 0.01 1 438 51 51 LEU HA H 4.36 0.01 1 439 51 51 LEU HB2 H 1.57 0.01 2 440 51 51 LEU HB3 H 1.54 0.01 2 441 51 51 LEU HD1 H 0.78 0.01 1 442 51 51 LEU HD2 H 0.71 0.01 1 443 51 51 LEU HG H 1.65 0.01 1 444 51 51 LEU CA C 54.23 0.1 1 445 51 51 LEU CB C 41.68 0.1 1 446 51 51 LEU CD1 C 21.96 0.1 1 447 51 51 LEU CD2 C 26.64 0.1 1 448 51 51 LEU CG C 26.78 0.1 1 449 51 51 LEU N N 115.41 0.1 1 450 52 52 ARG H H 7.76 0.01 1 451 52 52 ARG HA H 3.90 0.01 1 452 52 52 ARG HB2 H 2.10 0.01 2 453 52 52 ARG HB3 H 1.87 0.01 2 454 52 52 ARG HD2 H 3.19 0.01 1 455 52 52 ARG HG2 H 1.51 0.01 1 456 52 52 ARG C C 175.16 0.1 1 457 52 52 ARG CA C 56.92 0.1 1 458 52 52 ARG CB C 26.14 0.1 1 459 52 52 ARG CD C 43.27 0.1 1 460 52 52 ARG CG C 27.03 0.1 1 461 52 52 ARG N N 116.74 0.1 1 462 53 53 VAL H H 7.64 0.01 1 463 53 53 VAL HA H 4.61 0.01 1 464 53 53 VAL HB H 1.95 0.01 1 465 53 53 VAL HG1 H 0.71 0.01 1 466 53 53 VAL HG2 H 0.89 0.01 1 467 53 53 VAL CA C 58.80 0.1 1 468 53 53 VAL CB C 35.01 0.1 1 469 53 53 VAL CG1 C 19.57 0.1 1 470 53 53 VAL CG2 C 21.35 0.1 1 471 53 53 VAL N N 112.48 0.1 1 472 54 54 SER H H 8.74 0.01 1 473 54 54 SER HA H 4.30 0.01 1 474 54 54 SER HB2 H 4.28 0.01 2 475 54 54 SER HB3 H 4.02 0.01 2 476 54 54 SER CA C 58.09 0.1 1 477 54 54 SER CB C 64.45 0.1 1 478 54 54 SER N N 119.58 0.1 1 479 55 55 HIS H H 9.10 0.01 1 480 55 55 HIS HA H 4.23 0.01 1 481 55 55 HIS HB2 H 3.23 0.01 2 482 55 55 HIS HB3 H 3.11 0.01 2 483 55 55 HIS CA C 59.17 0.1 1 484 55 55 HIS CB C 29.82 0.1 1 485 55 55 HIS N N 123.14 0.1 1 486 56 56 GLY H H 8.82 0.01 1 487 56 56 GLY HA2 H 3.88 0.01 2 488 56 56 GLY HA3 H 3.65 0.01 2 489 56 56 GLY CA C 46.64 0.1 1 490 56 56 GLY N N 107.79 0.1 1 491 57 57 CYS H H 7.83 0.01 1 492 57 57 CYS HA H 4.11 0.01 1 493 57 57 CYS HB2 H 2.94 0.01 2 494 57 57 CYS HB3 H 3.04 0.01 2 495 57 57 CYS CA C 62.03 0.1 1 496 57 57 CYS CB C 26.42 0.1 1 497 57 57 CYS N N 122.09 0.1 1 498 58 58 VAL H H 7.67 0.01 1 499 58 58 VAL HA H 3.39 0.01 1 500 58 58 VAL HB H 2.17 0.01 1 501 58 58 VAL HG1 H 0.88 0.01 1 502 58 58 VAL HG2 H 0.86 0.01 1 503 58 58 VAL CA C 67.31 0.1 1 504 58 58 VAL CB C 31.50 0.1 1 505 58 58 VAL CG1 C 21.33 0.1 1 506 58 58 VAL CG2 C 23.16 0.1 1 507 58 58 VAL N N 118.78 0.1 1 508 59 59 SER H H 8.53 0.01 1 509 59 59 SER HA H 4.07 0.01 1 510 59 59 SER HB2 H 3.88 0.01 2 511 59 59 SER HB3 H 3.84 0.01 2 512 59 59 SER CA C 61.92 0.1 1 513 59 59 SER CB C 62.61 0.1 1 514 59 59 SER N N 113.95 0.1 1 515 60 60 LYS H H 7.88 0.01 1 516 60 60 LYS HA H 4.07 0.01 1 517 60 60 LYS HB3 H 1.91 0.01 1 518 60 60 LYS HD2 H 1.65 0.01 1 519 60 60 LYS HE2 H 2.91 0.01 1 520 60 60 LYS HG2 H 1.53 0.01 2 521 60 60 LYS HG3 H 1.41 0.01 2 522 60 60 LYS C C 178.98 0.1 1 523 60 60 LYS CA C 58.96 0.1 1 524 60 60 LYS CB C 32.15 0.1 1 525 60 60 LYS CD C 28.84 0.1 1 526 60 60 LYS CE C 41.85 0.1 1 527 60 60 LYS CG C 24.67 0.1 1 528 60 60 LYS N N 122.41 0.1 1 529 61 61 ILE H H 7.88 0.01 1 530 61 61 ILE HA H 3.83 0.01 1 531 61 61 ILE HB H 2.01 0.01 1 532 61 61 ILE HD1 H 0.77 0.01 1 533 61 61 ILE HG13 H 1.49 0.01 1 534 61 61 ILE HG2 H 0.86 0.01 1 535 61 61 ILE CA C 63.11 0.1 1 536 61 61 ILE CB C 36.92 0.1 1 537 61 61 ILE CD1 C 13.59 0.1 1 538 61 61 ILE CG1 C 28.85 0.1 1 539 61 61 ILE CG2 C 17.44 0.1 1 540 61 61 ILE N N 120.06 0.1 1 541 62 62 LEU H H 8.42 0.01 1 542 62 62 LEU HA H 4.11 0.01 1 543 62 62 LEU HB2 H 1.76 0.01 2 544 62 62 LEU HB3 H 1.40 0.01 2 545 62 62 LEU HD1 H 0.70 0.01 1 546 62 62 LEU HD2 H 0.63 0.01 1 547 62 62 LEU HG H 1.73 0.01 1 548 62 62 LEU CA C 56.63 0.1 1 549 62 62 LEU CB C 40.78 0.1 1 550 62 62 LEU CD1 C 25.60 0.1 1 551 62 62 LEU CD2 C 22.27 0.1 1 552 62 62 LEU CG C 26.05 0.1 1 553 62 62 LEU N N 118.31 0.1 1 554 63 63 GLY H H 8.08 0.01 1 555 63 63 GLY HA2 H 3.90 0.01 2 556 63 63 GLY HA3 H 3.97 0.01 2 557 63 63 GLY CA C 46.69 0.1 1 558 63 63 GLY N N 106.72 0.1 1 559 64 64 ARG H H 7.81 0.01 1 560 64 64 ARG HA H 4.24 0.01 1 561 64 64 ARG HB3 H 1.70 0.01 1 562 64 64 ARG HD2 H 3.08 0.01 1 563 64 64 ARG HE H 7.23 0.01 1 564 64 64 ARG HG2 H 1.44 0.01 1 565 64 64 ARG C C 177.18 0.1 1 566 64 64 ARG CA C 56.99 0.1 1 567 64 64 ARG CB C 30.26 0.1 1 568 64 64 ARG CD C 42.90 0.1 1 569 64 64 ARG CG C 26.45 0.1 1 570 64 64 ARG N N 119.56 0.1 1 571 65 65 TYR H H 8.08 0.01 1 572 65 65 TYR HA H 4.37 0.01 1 573 65 65 TYR HB2 H 2.82 0.01 2 574 65 65 TYR HB3 H 2.94 0.01 2 575 65 65 TYR HD1 H 7.04 0.01 3 576 65 65 TYR HD2 H 6.88 0.01 3 577 65 65 TYR HE1 H 6.72 0.01 1 578 65 65 TYR CA C 59.52 0.1 1 579 65 65 TYR CB C 38.54 0.1 1 580 65 65 TYR CD1 C 132.18 0.1 1 581 65 65 TYR CD2 C 132.23 0.1 1 582 65 65 TYR CE1 C 117.29 0.1 1 583 65 65 TYR N N 119.67 0.1 1 584 66 66 TYR H H 8.19 0.01 1 585 66 66 TYR HA H 4.45 0.01 1 586 66 66 TYR HB2 H 3.13 0.01 2 587 66 66 TYR HB3 H 2.93 0.01 2 588 66 66 TYR HD1 H 7.06 0.01 3 589 66 66 TYR HD2 H 7.03 0.01 3 590 66 66 TYR HE1 H 6.78 0.01 1 591 66 66 TYR CA C 58.75 0.1 1 592 66 66 TYR CB C 38.26 0.1 1 593 66 66 TYR CD1 C 132.05 0.1 1 594 66 66 TYR CD2 C 132.00 0.1 1 595 66 66 TYR CE2 C 117.07 0.1 1 596 66 66 TYR N N 119.93 0.1 1 597 67 67 GLU H H 8.12 0.01 1 598 67 67 GLU HA H 4.25 0.01 1 599 67 67 GLU HB2 H 2.06 0.01 2 600 67 67 GLU HB3 H 1.96 0.01 2 601 67 67 GLU HG2 H 2.31 0.01 2 602 67 67 GLU HG3 H 2.25 0.01 2 603 67 67 GLU C C 176.90 0.1 1 604 67 67 GLU CA C 57.24 0.1 1 605 67 67 GLU CB C 30.15 0.1 1 606 67 67 GLU CG C 36.01 0.1 1 607 67 67 GLU N N 120.85 0.1 1 608 68 68 THR H H 8.04 0.01 1 609 68 68 THR HA H 4.31 0.01 1 610 68 68 THR HB H 4.28 0.01 1 611 68 68 THR HG1 H 4.76 0.01 1 612 68 68 THR HG2 H 1.22 0.01 1 613 68 68 THR C C 175.33 0.1 1 614 68 68 THR CA C 62.17 0.1 1 615 68 68 THR CB C 70.01 0.1 1 616 68 68 THR CG2 C 21.07 0.1 1 617 68 68 THR N N 112.21 0.1 1 618 69 69 GLY H H 8.35 0.01 1 619 69 69 GLY HA2 H 3.97 0.01 2 620 69 69 GLY HA3 H 3.83 0.01 2 621 69 69 GLY C C 173.78 0.1 1 622 69 69 GLY CA C 45.28 0.1 1 623 69 69 GLY N N 111.17 0.1 1 624 70 70 SER H H 8.08 0.01 1 625 70 70 SER HA H 4.46 0.01 1 626 70 70 SER HB3 H 3.84 0.01 1 627 70 70 SER C C 174.11 0.1 1 628 70 70 SER CA C 58.09 0.1 1 629 70 70 SER CB C 63.86 0.1 1 630 70 70 SER N N 115.17 0.1 1 631 71 71 ILE H H 8.07 0.01 1 632 71 71 ILE HA H 4.19 0.01 1 633 71 71 ILE HB H 1.81 0.01 1 634 71 71 ILE HD1 H 0.74 0.01 1 635 71 71 ILE HG12 H 1.08 0.01 2 636 71 71 ILE HG13 H 1.37 0.01 2 637 71 71 ILE HG2 H 0.82 0.01 1 638 71 71 ILE C C 175.60 0.1 1 639 71 71 ILE CA C 60.81 0.1 1 640 71 71 ILE CB C 38.39 0.1 1 641 71 71 ILE CD1 C 12.65 0.1 1 642 71 71 ILE CG1 C 26.75 0.1 1 643 71 71 ILE CG2 C 17.17 0.1 1 644 71 71 ILE N N 121.15 0.1 1 645 72 72 ARG H H 8.35 0.01 1 646 72 72 ARG HA H 4.62 0.01 1 647 72 72 ARG HB2 H 1.80 0.01 2 648 72 72 ARG HB3 H 1.69 0.01 2 649 72 72 ARG HD2 H 3.17 0.01 1 650 72 72 ARG HG2 H 1.64 0.01 1 651 72 72 ARG C C 173.71 0.1 1 652 72 72 ARG CA C 53.54 0.1 1 653 72 72 ARG CB C 29.99 0.1 1 654 72 72 ARG CD C 43.15 0.1 1 655 72 72 ARG CG C 26.45 0.1 1 656 72 72 ARG N N 126.00 0.1 1 657 73 73 PRO HA H 4.40 0.01 1 658 73 73 PRO HB2 H 2.26 0.01 2 659 73 73 PRO HB3 H 1.90 0.01 2 660 73 73 PRO HD2 H 3.77 0.01 2 661 73 73 PRO HD3 H 3.61 0.01 2 662 73 73 PRO HG2 H 2.02 0.01 2 663 73 73 PRO HG3 H 1.98 0.01 2 664 73 73 PRO CA C 63.17 0.1 1 665 73 73 PRO CB C 31.54 0.1 1 666 73 73 PRO CD C 50.07 0.1 1 667 73 73 PRO CG C 27.06 0.1 1 668 74 74 GLY H H 8.46 0.01 1 669 74 74 GLY HA2 H 3.93 0.01 1 670 74 74 GLY C C 173.78 0.1 1 671 74 74 GLY CA C 45.01 0.1 1 672 74 74 GLY N N 109.36 0.1 1 673 75 75 VAL H H 7.91 0.01 1 674 75 75 VAL HA H 4.12 0.01 1 675 75 75 VAL HB H 2.05 0.01 1 676 75 75 VAL HG1 H 0.90 0.01 1 677 75 75 VAL C C 176.11 0.1 1 678 75 75 VAL CA C 62.13 0.1 1 679 75 75 VAL CB C 32.42 0.1 1 680 75 75 VAL CG1 C 20.24 0.1 1 681 75 75 VAL N N 119.72 0.1 1 682 76 76 ILE H H 8.31 0.01 1 683 76 76 ILE HA H 4.14 0.01 1 684 76 76 ILE HB H 1.84 0.01 1 685 76 76 ILE HD1 H 0.82 0.01 1 686 76 76 ILE HG12 H 1.49 0.01 2 687 76 76 ILE HG13 H 1.18 0.01 2 688 76 76 ILE HG2 H 0.88 0.01 1 689 76 76 ILE C C 176.60 0.1 1 690 76 76 ILE CA C 61.02 0.1 1 691 76 76 ILE CB C 38.23 0.1 1 692 76 76 ILE CD1 C 12.31 0.1 1 693 76 76 ILE CG1 C 27.03 0.1 1 694 76 76 ILE CG2 C 16.93 0.1 1 695 76 76 ILE N N 125.37 0.1 1 696 77 77 GLY H H 8.54 0.01 1 697 77 77 GLY HA2 H 3.97 0.01 2 698 77 77 GLY HA3 H 4.17 0.01 2 699 77 77 GLY C C 174.34 0.1 1 700 77 77 GLY CA C 45.10 0.1 1 701 77 77 GLY N N 113.77 0.1 1 702 78 78 GLY H H 8.28 0.01 1 703 78 78 GLY HA2 H 3.99 0.01 1 704 78 78 GLY C C 173.92 0.1 1 705 78 78 GLY CA C 44.91 0.1 1 706 78 78 GLY N N 108.78 0.1 1 707 79 79 SER H H 8.24 0.01 1 708 79 79 SER HA H 4.44 0.01 1 709 79 79 SER HB3 H 3.84 0.01 1 710 79 79 SER C C 173.99 0.1 1 711 79 79 SER CA C 58.03 0.1 1 712 79 79 SER CB C 63.83 0.1 1 713 79 79 SER N N 115.72 0.1 1 714 80 80 LYS H H 8.37 0.01 1 715 80 80 LYS HA H 4.62 0.01 1 716 80 80 LYS HB2 H 1.71 0.01 2 717 80 80 LYS HB3 H 1.81 0.01 2 718 80 80 LYS HD2 H 1.68 0.01 1 719 80 80 LYS HE2 H 2.98 0.01 1 720 80 80 LYS HG2 H 1.47 0.01 2 721 80 80 LYS HG3 H 1.43 0.01 2 722 80 80 LYS C C 174.20 0.1 1 723 80 80 LYS CA C 54.12 0.1 1 724 80 80 LYS CB C 32.24 0.1 1 725 80 80 LYS CD C 28.84 0.1 1 726 80 80 LYS CG C 24.07 0.1 1 727 80 80 LYS N N 124.35 0.1 1 728 81 81 PRO HA H 4.40 0.01 1 729 81 81 PRO HB2 H 2.25 0.01 2 730 81 81 PRO HB3 H 1.90 0.01 2 731 81 81 PRO HD2 H 3.78 0.01 2 732 81 81 PRO HD3 H 3.63 0.01 2 733 81 81 PRO HG2 H 2.01 0.01 2 734 81 81 PRO HG3 H 1.99 0.01 2 735 81 81 PRO CA C 63.20 0.1 1 736 81 81 PRO CB C 31.52 0.1 1 737 81 81 PRO CD C 50.37 0.1 1 738 81 81 PRO CG C 27.05 0.1 1 739 82 82 LYS H H 8.49 0.01 1 740 82 82 LYS HA H 4.32 0.01 1 741 82 82 LYS HB2 H 1.81 0.01 2 742 82 82 LYS HB3 H 1.72 0.01 2 743 82 82 LYS HD2 H 1.67 0.01 1 744 82 82 LYS HE2 H 2.99 0.01 1 745 82 82 LYS HG2 H 1.48 0.01 2 746 82 82 LYS HG3 H 1.41 0.01 2 747 82 82 LYS C C 176.39 0.1 1 748 82 82 LYS CA C 55.90 0.1 1 749 82 82 LYS CB C 32.64 0.1 1 750 82 82 LYS CD C 28.82 0.1 1 751 82 82 LYS CE C 41.59 0.1 1 752 82 82 LYS CG C 24.34 0.1 1 753 82 82 LYS N N 122.42 0.1 1 754 83 83 VAL H H 8.09 0.01 1 755 83 83 VAL HA H 4.13 0.01 1 756 83 83 VAL HB H 2.03 0.01 1 757 83 83 VAL HG1 H 0.90 0.01 1 758 83 83 VAL C C 175.46 0.1 1 759 83 83 VAL CA C 61.49 0.1 1 760 83 83 VAL CB C 33.01 0.1 1 761 83 83 VAL CG1 C 20.91 0.1 1 762 83 83 VAL N N 121.22 0.1 1 763 84 84 ALA H H 8.46 0.01 1 764 84 84 ALA HA H 4.41 0.01 1 765 84 84 ALA HB H 1.27 0.01 1 766 84 84 ALA C C 176.61 0.1 1 767 84 84 ALA CA C 51.49 0.1 1 768 84 84 ALA CB C 18.48 0.1 1 769 84 84 ALA N N 128.02 0.1 1 770 85 85 THR H H 7.91 0.01 1 771 85 85 THR HA H 4.48 0.01 1 772 85 85 THR HB H 4.53 0.01 1 773 85 85 THR HG1 H 4.75 0.01 1 774 85 85 THR HG2 H 1.35 0.01 1 775 85 85 THR C C 173.15 0.1 1 776 85 85 THR CA C 60.46 0.1 1 777 85 85 THR CB C 68.25 0.1 1 778 85 85 THR CG2 C 21.71 0.1 1 779 85 85 THR N N 114.75 0.1 1 780 86 86 PRO HA H 4.58 0.01 1 781 86 86 PRO HB2 H 2.28 0.01 2 782 86 86 PRO HB3 H 2.18 0.01 2 783 86 86 PRO HD2 H 3.59 0.01 2 784 86 86 PRO HD3 H 3.46 0.01 2 785 86 86 PRO HG2 H 1.93 0.01 2 786 86 86 PRO HG3 H 1.83 0.01 2 787 86 86 PRO CA C 63.13 0.1 1 788 86 86 PRO CB C 33.89 0.1 1 789 86 86 PRO CD C 49.77 0.1 1 790 86 86 PRO CG C 24.04 0.1 1 791 87 87 LYS H H 8.14 0.01 1 792 87 87 LYS HA H 4.10 0.01 1 793 87 87 LYS HB2 H 1.87 0.01 2 794 87 87 LYS HB3 H 1.72 0.01 2 795 87 87 LYS HD2 H 1.66 0.01 1 796 87 87 LYS HE2 H 2.95 0.01 1 797 87 87 LYS HG2 H 1.44 0.01 2 798 87 87 LYS HG3 H 1.39 0.01 2 799 87 87 LYS C C 178.23 0.1 1 800 87 87 LYS CA C 58.10 0.1 1 801 87 87 LYS CB C 31.65 0.1 1 802 87 87 LYS CD C 28.26 0.1 1 803 87 87 LYS CE C 41.63 0.1 1 804 87 87 LYS CG C 24.33 0.1 1 805 87 87 LYS N N 117.33 0.1 1 806 88 88 VAL H H 7.48 0.01 1 807 88 88 VAL HA H 3.34 0.01 1 808 88 88 VAL HB H 2.18 0.01 1 809 88 88 VAL HG1 H 0.92 0.01 1 810 88 88 VAL HG2 H 0.82 0.01 1 811 88 88 VAL C C 176.96 0.1 1 812 88 88 VAL CA C 66.64 0.1 1 813 88 88 VAL CB C 31.39 0.1 1 814 88 88 VAL CG1 C 23.73 0.1 1 815 88 88 VAL CG2 C 21.08 0.1 1 816 88 88 VAL N N 120.59 0.1 1 817 89 89 VAL H H 8.02 0.01 1 818 89 89 VAL HA H 3.31 0.01 1 819 89 89 VAL HB H 2.07 0.01 1 820 89 89 VAL HG1 H 0.90 0.01 1 821 89 89 VAL HG2 H 0.85 0.01 1 822 89 89 VAL C C 178.44 0.1 1 823 89 89 VAL CA C 67.38 0.1 1 824 89 89 VAL CB C 31.40 0.1 1 825 89 89 VAL CG1 C 22.57 0.1 1 826 89 89 VAL CG2 C 20.84 0.1 1 827 89 89 VAL N N 119.70 0.1 1 828 90 90 GLU H H 8.11 0.01 1 829 90 90 GLU HA H 3.92 0.01 1 830 90 90 GLU HB3 H 2.03 0.01 1 831 90 90 GLU HG2 H 2.27 0.01 2 832 90 90 GLU HG3 H 2.11 0.01 2 833 90 90 GLU CA C 58.95 0.1 1 834 90 90 GLU CB C 29.34 0.1 1 835 90 90 GLU CG C 36.04 0.1 1 836 90 90 GLU N N 120.18 0.1 1 837 91 91 LYS H H 7.74 0.01 1 838 91 91 LYS HA H 3.76 0.01 1 839 91 91 LYS HB2 H 1.80 0.01 2 840 91 91 LYS HB3 H 1.79 0.01 2 841 91 91 LYS HD2 H 1.64 0.01 1 842 91 91 LYS HE2 H 2.95 0.01 1 843 91 91 LYS HG2 H 1.46 0.01 2 844 91 91 LYS HG3 H 1.37 0.01 2 845 91 91 LYS CA C 57.15 0.1 1 846 91 91 LYS CB C 30.03 0.1 1 847 91 91 LYS CD C 29.05 0.1 1 848 91 91 LYS CG C 27.21 0.1 1 849 91 91 LYS N N 119.75 0.1 1 850 92 92 ILE H H 8.13 0.01 1 851 92 92 ILE HA H 3.24 0.01 1 852 92 92 ILE HB H 1.83 0.01 1 853 92 92 ILE HD1 H 0.55 0.01 1 854 92 92 ILE HG13 H 0.80 0.01 1 855 92 92 ILE HG2 H 0.73 0.01 1 856 92 92 ILE CA C 66.59 0.1 1 857 92 92 ILE CB C 37.34 0.1 1 858 92 92 ILE CD1 C 12.49 0.1 1 859 92 92 ILE CG1 C 22.80 0.1 1 860 92 92 ILE CG2 C 17.24 0.1 1 861 92 92 ILE N N 117.77 0.1 1 862 93 93 GLY H H 7.66 0.01 1 863 93 93 GLY HA2 H 3.85 0.01 2 864 93 93 GLY HA3 H 3.64 0.01 2 865 93 93 GLY CA C 47.05 0.1 1 866 93 93 GLY N N 103.99 0.1 1 867 94 94 ASP H H 8.11 0.01 1 868 94 94 ASP HA H 4.36 0.01 1 869 94 94 ASP HB2 H 2.61 0.01 2 870 94 94 ASP HB3 H 2.78 0.01 2 871 94 94 ASP CA C 57.24 0.1 1 872 94 94 ASP CB C 40.22 0.1 1 873 94 94 ASP N N 124.01 0.1 1 874 95 95 TYR H H 8.64 0.01 1 875 95 95 TYR HA H 4.42 0.01 1 876 95 95 TYR HB2 H 3.12 0.01 2 877 95 95 TYR HB3 H 3.29 0.01 2 878 95 95 TYR HD1 H 6.89 0.01 1 879 95 95 TYR HE1 H 6.71 0.01 1 880 95 95 TYR C C 178.74 0.1 1 881 95 95 TYR CA C 57.71 0.1 1 882 95 95 TYR CB C 36.30 0.1 1 883 95 95 TYR CD2 C 132.00 0.1 1 884 95 95 TYR CE2 C 117.04 0.1 1 885 95 95 TYR N N 120.22 0.1 1 886 96 96 LYS H H 7.97 0.01 1 887 96 96 LYS HA H 4.03 0.01 1 888 96 96 LYS HB2 H 1.86 0.01 2 889 96 96 LYS HB3 H 1.81 0.01 2 890 96 96 LYS HD2 H 1.55 0.01 1 891 96 96 LYS HE2 H 2.86 0.01 2 892 96 96 LYS HE3 H 3.01 0.01 2 893 96 96 LYS HG2 H 1.43 0.01 1 894 96 96 LYS C C 177.73 0.1 1 895 96 96 LYS CA C 56.36 0.1 1 896 96 96 LYS CB C 31.90 0.1 1 897 96 96 LYS CD C 28.53 0.1 1 898 96 96 LYS CE C 41.94 0.1 1 899 96 96 LYS CG C 24.37 0.1 1 900 96 96 LYS N N 117.82 0.1 1 901 97 97 ARG H H 8.04 0.01 1 902 97 97 ARG HA H 4.01 0.01 1 903 97 97 ARG HB2 H 1.96 0.01 2 904 97 97 ARG HB3 H 1.91 0.01 2 905 97 97 ARG HD2 H 3.22 0.01 1 906 97 97 ARG HG2 H 1.76 0.01 2 907 97 97 ARG HG3 H 1.55 0.01 2 908 97 97 ARG C C 178.29 0.1 1 909 97 97 ARG CA C 58.84 0.1 1 910 97 97 ARG CB C 29.91 0.1 1 911 97 97 ARG CD C 42.88 0.1 1 912 97 97 ARG CG C 27.64 0.1 1 913 97 97 ARG N N 119.08 0.1 1 914 98 98 GLN H H 7.65 0.01 1 915 98 98 GLN HA H 4.12 0.01 1 916 98 98 GLN HB3 H 2.14 0.01 1 917 98 98 GLN HE21 H 7.44 0.01 1 918 98 98 GLN HE22 H 6.90 0.01 1 919 98 98 GLN HG2 H 2.55 0.01 2 920 98 98 GLN HG3 H 2.39 0.01 2 921 98 98 GLN C C 176.25 0.1 1 922 98 98 GLN CA C 57.45 0.1 1 923 98 98 GLN CB C 29.09 0.1 1 924 98 98 GLN CG C 33.63 0.1 1 925 98 98 GLN N N 116.37 0.1 1 926 98 98 GLN NE2 N 111.80 0.1 1 927 99 99 ASN H H 7.95 0.01 1 928 99 99 ASN HA H 5.04 0.01 1 929 99 99 ASN HB2 H 2.85 0.01 2 930 99 99 ASN HB3 H 2.73 0.01 2 931 99 99 ASN HD21 H 7.38 0.01 1 932 99 99 ASN HD22 H 6.98 0.01 1 933 99 99 ASN CA C 50.21 0.1 1 934 99 99 ASN CB C 38.99 0.1 1 935 99 99 ASN N N 114.66 0.1 1 936 99 99 ASN ND2 N 112.22 0.1 1 937 100 100 PRO HA H 4.41 0.01 1 938 100 100 PRO HB2 H 1.92 0.01 1 939 100 100 PRO HD2 H 3.77 0.01 2 940 100 100 PRO HD3 H 3.45 0.01 2 941 100 100 PRO HG2 H 2.02 0.01 2 942 100 100 PRO HG3 H 1.98 0.01 2 943 100 100 PRO CA C 63.36 0.1 1 944 100 100 PRO CB C 31.79 0.1 1 945 100 100 PRO CD C 50.08 0.1 1 946 100 100 PRO CG C 26.76 0.1 1 947 101 101 THR H H 7.63 0.01 1 948 101 101 THR HA H 4.20 0.01 1 949 101 101 THR HB H 4.33 0.01 1 950 101 101 THR HG1 H 4.72 0.01 1 951 101 101 THR HG2 H 1.11 0.01 1 952 101 101 THR CA C 60.82 0.1 1 953 101 101 THR CB C 68.44 0.1 1 954 101 101 THR CG2 C 21.24 0.1 1 955 101 101 THR N N 107.07 0.1 1 956 102 102 MET H H 7.39 0.01 1 957 102 102 MET HA H 3.89 0.01 1 958 102 102 MET HB2 H 1.91 0.01 2 959 102 102 MET HB3 H 1.67 0.01 2 960 102 102 MET HE H 0.88 0.01 1 961 102 102 MET HG2 H 2.48 0.01 2 962 102 102 MET HG3 H 2.38 0.01 2 963 102 102 MET C C 175.74 0.1 1 964 102 102 MET CA C 57.24 0.1 1 965 102 102 MET CB C 34.02 0.1 1 966 102 102 MET CG C 32.14 0.1 1 967 102 102 MET N N 122.70 0.1 1 968 103 103 PHE H H 8.92 0.01 1 969 103 103 PHE HA H 4.52 0.01 1 970 103 103 PHE HB2 H 2.81 0.01 2 971 103 103 PHE HB3 H 1.97 0.01 2 972 103 103 PHE HD1 H 7.33 0.01 1 973 103 103 PHE HE1 H 7.46 0.01 1 974 103 103 PHE HZ H 7.24 0.01 1 975 103 103 PHE C C 177.95 0.1 1 976 103 103 PHE CA C 56.69 0.1 1 977 103 103 PHE CB C 40.36 0.1 1 978 103 103 PHE CD1 C 130.76 0.1 1 979 103 103 PHE CE1 C 131.00 0.1 1 980 103 103 PHE CZ C 130.68 0.1 1 981 103 103 PHE N N 122.92 0.1 1 982 104 104 ALA H H 9.43 0.01 1 983 104 104 ALA HA H 3.92 0.01 1 984 104 104 ALA HB H 1.58 0.01 1 985 104 104 ALA CA C 56.05 0.1 1 986 104 104 ALA CB C 18.56 0.1 1 987 104 104 ALA N N 123.74 0.1 1 988 105 105 TRP H H 8.02 0.01 1 989 105 105 TRP HA H 4.24 0.01 1 990 105 105 TRP HB2 H 3.52 0.01 2 991 105 105 TRP HB3 H 3.19 0.01 2 992 105 105 TRP HD1 H 7.50 0.01 1 993 105 105 TRP HE1 H 10.05 0.01 1 994 105 105 TRP HE3 H 6.71 0.01 1 995 105 105 TRP HH2 H 7.17 0.01 1 996 105 105 TRP HZ2 H 7.24 0.01 1 997 105 105 TRP HZ3 H 7.13 0.01 1 998 105 105 TRP C C 176.96 0.1 1 999 105 105 TRP CA C 59.39 0.1 1 1000 105 105 TRP CB C 26.78 0.1 1 1001 105 105 TRP CD1 C 127.11 0.1 1 1002 105 105 TRP CD2 C 127.29 0.1 1 1003 105 105 TRP CE3 C 118.97 0.1 1 1004 105 105 TRP CH2 C 122.05 0.1 1 1005 105 105 TRP CZ2 C 113.84 0.1 1 1006 105 105 TRP CZ3 C 124.66 0.1 1 1007 105 105 TRP N N 114.04 0.1 1 1008 105 105 TRP NE1 N 130.53 0.1 1 1009 106 106 GLU H H 6.16 0.01 1 1010 106 106 GLU HA H 3.78 0.01 1 1011 106 106 GLU HB2 H 1.97 0.01 2 1012 106 106 GLU HB3 H 1.62 0.01 2 1013 106 106 GLU HG2 H 2.00 0.01 1 1014 106 106 GLU C C 179.61 0.1 1 1015 106 106 GLU CA C 58.44 0.1 1 1016 106 106 GLU CB C 29.76 0.1 1 1017 106 106 GLU CG C 36.60 0.1 1 1018 106 106 GLU N N 122.18 0.1 1 1019 107 107 ILE H H 7.75 0.01 1 1020 107 107 ILE HA H 3.42 0.01 1 1021 107 107 ILE HB H 2.15 0.01 1 1022 107 107 ILE HD1 H 0.79 0.01 1 1023 107 107 ILE HG12 H 1.70 0.01 2 1024 107 107 ILE HG13 H 1.13 0.01 2 1025 107 107 ILE HG2 H 1.04 0.01 1 1026 107 107 ILE C C 176.18 0.1 1 1027 107 107 ILE CA C 65.60 0.1 1 1028 107 107 ILE CB C 37.20 0.1 1 1029 107 107 ILE CD1 C 13.34 0.1 1 1030 107 107 ILE CG1 C 29.50 0.1 1 1031 107 107 ILE CG2 C 17.80 0.1 1 1032 107 107 ILE N N 122.12 0.1 1 1033 108 108 ARG H H 8.13 0.01 1 1034 108 108 ARG HA H 3.65 0.01 1 1035 108 108 ARG HB3 H 1.95 0.01 1 1036 108 108 ARG HD2 H 3.16 0.01 1 1037 108 108 ARG HG2 H 1.62 0.01 1 1038 108 108 ARG CA C 60.46 0.1 1 1039 108 108 ARG CB C 29.43 0.1 1 1040 108 108 ARG CD C 43.17 0.1 1 1041 108 108 ARG CG C 26.65 0.1 1 1042 108 108 ARG N N 120.95 0.1 1 1043 109 109 ASP H H 7.71 0.01 1 1044 109 109 ASP HA H 4.42 0.01 1 1045 109 109 ASP HB2 H 2.78 0.01 2 1046 109 109 ASP HB3 H 2.70 0.01 2 1047 109 109 ASP C C 178.79 0.1 1 1048 109 109 ASP CA C 57.30 0.1 1 1049 109 109 ASP CB C 39.96 0.1 1 1050 109 109 ASP N N 116.29 0.1 1 1051 110 110 ARG H H 8.02 0.01 1 1052 110 110 ARG HA H 4.06 0.01 1 1053 110 110 ARG HB2 H 1.55 0.01 2 1054 110 110 ARG HB3 H 1.45 0.01 2 1055 110 110 ARG HD2 H 3.24 0.01 2 1056 110 110 ARG HD3 H 3.20 0.01 2 1057 110 110 ARG HG2 H 1.81 0.01 2 1058 110 110 ARG HG3 H 1.78 0.01 2 1059 110 110 ARG CA C 59.41 0.1 1 1060 110 110 ARG CB C 29.41 0.1 1 1061 110 110 ARG CD C 42.90 0.1 1 1062 110 110 ARG CG C 26.80 0.1 1 1063 110 110 ARG N N 123.12 0.1 1 1064 111 111 LEU H H 8.47 0.01 1 1065 111 111 LEU HA H 4.20 0.01 1 1066 111 111 LEU HB2 H 2.27 0.01 2 1067 111 111 LEU HB3 H 1.22 0.01 2 1068 111 111 LEU HD1 H 0.84 0.01 1 1069 111 111 LEU HG H 0.96 0.01 1 1070 111 111 LEU C C 177.31 0.1 1 1071 111 111 LEU CA C 57.88 0.1 1 1072 111 111 LEU CB C 42.68 0.1 1 1073 111 111 LEU CD1 C 26.09 0.1 1 1074 111 111 LEU CG C 22.78 0.1 1 1075 111 111 LEU N N 119.32 0.1 1 1076 112 112 LEU H H 7.31 0.01 1 1077 112 112 LEU HA H 4.30 0.01 1 1078 112 112 LEU HB2 H 1.97 0.01 2 1079 112 112 LEU HB3 H 1.48 0.01 2 1080 112 112 LEU HD1 H 0.60 0.01 1 1081 112 112 LEU HD2 H 0.93 0.01 1 1082 112 112 LEU HG H 1.69 0.01 1 1083 112 112 LEU CA C 56.67 0.1 1 1084 112 112 LEU CB C 41.96 0.1 1 1085 112 112 LEU CD1 C 21.97 0.1 1 1086 112 112 LEU CD2 C 25.27 0.1 1 1087 112 112 LEU CG C 26.46 0.1 1 1088 112 112 LEU N N 117.01 0.1 1 1089 113 113 ALA H H 8.66 0.01 1 1090 113 113 ALA HA H 4.11 0.01 1 1091 113 113 ALA HB H 1.53 0.01 1 1092 113 113 ALA C C 180.34 0.1 1 1093 113 113 ALA CA C 55.11 0.1 1 1094 113 113 ALA CB C 18.08 0.1 1 1095 113 113 ALA N N 125.05 0.1 1 1096 114 114 GLU H H 8.52 0.01 1 1097 114 114 GLU HA H 4.28 0.01 1 1098 114 114 GLU HB2 H 2.27 0.01 2 1099 114 114 GLU HB3 H 2.07 0.01 2 1100 114 114 GLU HG2 H 2.59 0.01 2 1101 114 114 GLU HG3 H 2.30 0.01 2 1102 114 114 GLU C C 177.10 0.1 1 1103 114 114 GLU CA C 56.46 0.1 1 1104 114 114 GLU CB C 29.69 0.1 1 1105 114 114 GLU CG C 37.51 0.1 1 1106 114 114 GLU N N 113.52 0.1 1 1107 115 115 GLY H H 7.83 0.01 1 1108 115 115 GLY HA2 H 4.07 0.01 2 1109 115 115 GLY HA3 H 3.87 0.01 2 1110 115 115 GLY C C 174.42 0.1 1 1111 115 115 GLY CA C 45.85 0.1 1 1112 115 115 GLY N N 107.70 0.1 1 1113 116 116 VAL H H 8.14 0.01 1 1114 116 116 VAL HA H 3.69 0.01 1 1115 116 116 VAL HB H 2.13 0.01 1 1116 116 116 VAL HG1 H 1.09 0.01 1 1117 116 116 VAL HG2 H 0.97 0.01 1 1118 116 116 VAL CA C 64.43 0.1 1 1119 116 116 VAL CB C 32.19 0.1 1 1120 116 116 VAL CG1 C 22.01 0.1 1 1121 116 116 VAL CG2 C 21.69 0.1 1 1122 116 116 VAL N N 120.99 0.1 1 1123 117 117 CYS H H 7.25 0.01 1 1124 117 117 CYS HA H 4.51 0.01 1 1125 117 117 CYS HB3 H 3.24 0.01 1 1126 117 117 CYS HG H 1.91 0.01 1 1127 117 117 CYS C C 171.65 0.1 1 1128 117 117 CYS CA C 55.75 0.1 1 1129 117 117 CYS CB C 32.56 0.1 1 1130 117 117 CYS N N 111.87 0.1 1 1131 118 118 ASP H H 7.66 0.01 1 1132 118 118 ASP HA H 4.72 0.01 1 1133 118 118 ASP HB2 H 3.14 0.01 2 1134 118 118 ASP HB3 H 2.64 0.01 2 1135 118 118 ASP C C 176.03 0.1 1 1136 118 118 ASP CA C 52.12 0.1 1 1137 118 118 ASP CB C 42.26 0.1 1 1138 118 118 ASP N N 120.02 0.1 1 1139 119 119 ASN H H 8.61 0.01 1 1140 119 119 ASN HA H 4.30 0.01 1 1141 119 119 ASN HB3 H 2.73 0.01 1 1142 119 119 ASN C C 176.18 0.1 1 1143 119 119 ASN CA C 56.44 0.1 1 1144 119 119 ASN CB C 38.57 0.1 1 1145 119 119 ASN N N 115.74 0.1 1 1146 120 120 ASP H H 8.43 0.01 1 1147 120 120 ASP HA H 4.68 0.01 1 1148 120 120 ASP HB2 H 2.83 0.01 2 1149 120 120 ASP HB3 H 2.70 0.01 2 1150 120 120 ASP C C 177.52 0.1 1 1151 120 120 ASP CA C 55.82 0.1 1 1152 120 120 ASP CB C 41.42 0.1 1 1153 120 120 ASP N N 116.45 0.1 1 1154 121 121 THR H H 7.95 0.01 1 1155 121 121 THR HA H 4.47 0.01 1 1156 121 121 THR HB H 4.52 0.01 1 1157 121 121 THR HG1 H 4.76 0.01 1 1158 121 121 THR HG2 H 1.25 0.01 1 1159 121 121 THR C C 175.06 0.1 1 1160 121 121 THR CA C 61.11 0.1 1 1161 121 121 THR CB C 70.91 0.1 1 1162 121 121 THR CG2 C 21.66 0.1 1 1163 121 121 THR N N 109.01 0.1 1 1164 122 122 VAL H H 7.91 0.01 1 1165 122 122 VAL HA H 4.79 0.01 1 1166 122 122 VAL HB H 2.15 0.01 1 1167 122 122 VAL HG1 H 1.16 0.01 1 1168 122 122 VAL HG2 H 0.96 0.01 1 1169 122 122 VAL C C 172.30 0.1 1 1170 122 122 VAL CA C 58.62 0.1 1 1171 122 122 VAL CB C 32.37 0.1 1 1172 122 122 VAL CG1 C 21.65 0.1 1 1173 122 122 VAL CG2 C 18.97 0.1 1 1174 122 122 VAL N N 125.19 0.1 1 1175 123 123 PRO HA H 4.63 0.01 1 1176 123 123 PRO HB2 H 2.35 0.01 2 1177 123 123 PRO HB3 H 1.87 0.01 2 1178 123 123 PRO HD2 H 4.14 0.01 2 1179 123 123 PRO HD3 H 3.56 0.01 2 1180 123 123 PRO HG2 H 1.80 0.01 2 1181 123 123 PRO HG3 H 1.66 0.01 2 1182 123 123 PRO CA C 61.96 0.1 1 1183 123 123 PRO CB C 31.49 0.1 1 1184 123 123 PRO CD C 51.55 0.1 1 1185 123 123 PRO CG C 27.07 0.1 1 1186 124 124 SER H H 8.48 0.01 1 1187 124 124 SER HA H 4.47 0.01 1 1188 124 124 SER HB2 H 4.39 0.01 2 1189 124 124 SER HB3 H 4.11 0.01 2 1190 124 124 SER CA C 56.76 0.1 1 1191 124 124 SER CB C 64.93 0.1 1 1192 124 124 SER N N 114.55 0.1 1 1193 125 125 VAL H H 9.03 0.01 1 1194 125 125 VAL HA H 3.51 0.01 1 1195 125 125 VAL HB H 2.14 0.01 1 1196 125 125 VAL HG1 H 1.10 0.01 1 1197 125 125 VAL HG2 H 1.02 0.01 1 1198 125 125 VAL C C 177.67 0.1 1 1199 125 125 VAL CA C 67.68 0.1 1 1200 125 125 VAL CB C 31.27 0.1 1 1201 125 125 VAL CG1 C 22.86 0.1 1 1202 125 125 VAL CG2 C 21.33 0.1 1 1203 125 125 VAL N N 120.72 0.1 1 1204 126 126 SER H H 8.46 0.01 1 1205 126 126 SER HA H 4.31 0.01 1 1206 126 126 SER HB2 H 3.94 0.01 2 1207 126 126 SER HB3 H 3.92 0.01 2 1208 126 126 SER CA C 61.51 0.1 1 1209 126 126 SER CB C 62.03 0.1 1 1210 126 126 SER N N 114.28 0.1 1 1211 127 127 SER H H 8.19 0.01 1 1212 127 127 SER HA H 4.23 0.01 1 1213 127 127 SER HB3 H 3.89 0.01 1 1214 127 127 SER CA C 61.96 0.1 1 1215 127 127 SER CB C 62.89 0.1 1 1216 127 127 SER N N 120.54 0.1 1 1217 128 128 ILE H H 8.48 0.01 1 1218 128 128 ILE HA H 3.52 0.01 1 1219 128 128 ILE HB H 1.97 0.01 1 1220 128 128 ILE HD1 H 0.74 0.01 1 1221 128 128 ILE HG12 H 1.86 0.01 2 1222 128 128 ILE HG13 H 0.95 0.01 2 1223 128 128 ILE HG2 H 0.96 0.01 1 1224 128 128 ILE CA C 66.18 0.1 1 1225 128 128 ILE CB C 37.79 0.1 1 1226 128 128 ILE CD1 C 13.33 0.1 1 1227 128 128 ILE CG1 C 29.43 0.1 1 1228 128 128 ILE CG2 C 17.76 0.1 1 1229 128 128 ILE N N 122.64 0.1 1 1230 129 129 ASN H H 8.61 0.01 1 1231 129 129 ASN HA H 4.56 0.01 1 1232 129 129 ASN HB2 H 2.89 0.01 2 1233 129 129 ASN HB3 H 2.77 0.01 2 1234 129 129 ASN HD21 H 7.06 0.01 1 1235 129 129 ASN HD22 H 7.58 0.01 1 1236 129 129 ASN C C 177.23 0.1 1 1237 129 129 ASN CA C 56.01 0.1 1 1238 129 129 ASN CB C 38.10 0.1 1 1239 129 129 ASN N N 118.23 0.1 1 1240 129 129 ASN ND2 N 113.01 0.1 1 1241 130 130 ARG H H 7.76 0.01 1 1242 130 130 ARG HA H 4.07 0.01 1 1243 130 130 ARG HB2 H 1.98 0.01 2 1244 130 130 ARG HB3 H 1.94 0.01 2 1245 130 130 ARG HD2 H 3.23 0.01 1 1246 130 130 ARG HG2 H 1.78 0.01 2 1247 130 130 ARG HG3 H 1.58 0.01 2 1248 130 130 ARG C C 178.87 0.1 1 1249 130 130 ARG CA C 59.44 0.1 1 1250 130 130 ARG CB C 29.74 0.1 1 1251 130 130 ARG CD C 42.90 0.1 1 1252 130 130 ARG CG C 27.36 0.1 1 1253 130 130 ARG N N 119.35 0.1 1 1254 131 131 ILE H H 8.08 0.01 1 1255 131 131 ILE HA H 3.67 0.01 1 1256 131 131 ILE HB H 2.02 0.01 1 1257 131 131 ILE HD1 H 0.71 0.01 1 1258 131 131 ILE HG12 H 1.76 0.01 2 1259 131 131 ILE HG13 H 1.05 0.01 2 1260 131 131 ILE HG2 H 0.86 0.01 1 1261 131 131 ILE C C 178.38 0.1 1 1262 131 131 ILE CA C 64.86 0.1 1 1263 131 131 ILE CB C 38.08 0.1 1 1264 131 131 ILE CD1 C 12.99 0.1 1 1265 131 131 ILE CG1 C 28.79 0.1 1 1266 131 131 ILE CG2 C 17.46 0.1 1 1267 131 131 ILE N N 121.66 0.1 1 1268 132 132 ILE H H 8.30 0.01 1 1269 132 132 ILE HA H 3.89 0.01 1 1270 132 132 ILE HB H 2.05 0.01 1 1271 132 132 ILE HD1 H 0.83 0.01 1 1272 132 132 ILE HG12 H 1.46 0.01 2 1273 132 132 ILE HG13 H 1.18 0.01 2 1274 132 132 ILE HG2 H 0.88 0.01 1 1275 132 132 ILE CA C 64.19 0.1 1 1276 132 132 ILE CB C 38.12 0.1 1 1277 132 132 ILE CD1 C 12.38 0.1 1 1278 132 132 ILE CG1 C 27.02 0.1 1 1279 132 132 ILE CG2 C 17.04 0.1 1 1280 132 132 ILE N N 116.41 0.1 1 1281 133 133 ARG H H 7.75 0.01 1 1282 133 133 ARG HA H 4.24 0.01 1 1283 133 133 ARG HB3 H 1.92 0.01 1 1284 133 133 ARG HD2 H 3.18 0.01 1 1285 133 133 ARG HG2 H 1.76 0.01 2 1286 133 133 ARG HG3 H 1.67 0.01 2 1287 133 133 ARG C C 176.80 0.1 1 1288 133 133 ARG CA C 57.53 0.1 1 1289 133 133 ARG CB C 30.15 0.1 1 1290 133 133 ARG CD C 43.15 0.1 1 1291 133 133 ARG CG C 27.01 0.1 1 1292 133 133 ARG N N 119.07 0.1 1 1293 134 134 THR H H 7.84 0.01 1 1294 134 134 THR HA H 4.32 0.01 1 1295 134 134 THR HB H 4.21 0.01 1 1296 134 134 THR HG1 H 4.76 0.01 1 1297 134 134 THR HG2 H 1.24 0.01 1 1298 134 134 THR C C 174.70 0.1 1 1299 134 134 THR CA C 62.89 0.1 1 1300 134 134 THR CB C 70.01 0.1 1 1301 134 134 THR CG2 C 21.09 0.1 1 1302 134 134 THR N N 112.31 0.1 1 1303 135 135 LYS H H 8.29 0.01 1 1304 135 135 LYS HA H 4.42 0.01 1 1305 135 135 LYS HB2 H 1.85 0.01 2 1306 135 135 LYS HB3 H 1.80 0.01 2 1307 135 135 LYS HD2 H 1.64 0.01 1 1308 135 135 LYS HE2 H 2.93 0.01 1 1309 135 135 LYS HG2 H 1.43 0.01 1 1310 135 135 LYS CA C 56.00 0.1 1 1311 135 135 LYS CB C 32.93 0.1 1 1312 135 135 LYS CD C 28.55 0.1 1 1313 135 135 LYS CE C 41.84 0.1 1 1314 135 135 LYS CG C 24.36 0.1 1 1315 135 135 LYS N N 122.79 0.1 1 1316 136 136 VAL H H 7.90 0.01 1 1317 136 136 VAL HA H 4.08 0.01 1 1318 136 136 VAL HB H 2.14 0.01 1 1319 136 136 VAL HG1 H 0.89 0.01 1 1320 136 136 VAL C C 175.69 0.1 1 1321 136 136 VAL CA C 62.32 0.1 1 1322 136 136 VAL CB C 32.38 0.1 1 1323 136 136 VAL CG1 C 20.57 0.1 1 1324 136 136 VAL N N 120.57 0.1 1 1325 137 137 GLN H H 8.40 0.01 1 1326 137 137 GLN HA H 4.29 0.01 1 1327 137 137 GLN HB2 H 1.96 0.01 2 1328 137 137 GLN HB3 H 2.05 0.01 2 1329 137 137 GLN HE21 H 6.86 0.01 1 1330 137 137 GLN HE22 H 7.52 0.01 1 1331 137 137 GLN HG2 H 2.32 0.01 1 1332 137 137 GLN C C 175.27 0.1 1 1333 137 137 GLN CA C 55.64 0.1 1 1334 137 137 GLN CB C 29.20 0.1 1 1335 137 137 GLN CG C 33.60 0.1 1 1336 137 137 GLN N N 123.79 0.1 1 1337 137 137 GLN NE2 N 112.33 0.1 1 1338 138 138 GLN H H 8.32 0.01 1 1339 138 138 GLN HA H 4.56 0.01 1 1340 138 138 GLN HB2 H 2.00 0.01 2 1341 138 138 GLN HB3 H 1.85 0.01 2 1342 138 138 GLN HE21 H 6.84 0.01 1 1343 138 138 GLN HE22 H 7.48 0.01 1 1344 138 138 GLN HG2 H 2.33 0.01 1 1345 138 138 GLN C C 173.85 0.1 1 1346 138 138 GLN CA C 53.50 0.1 1 1347 138 138 GLN CB C 28.54 0.1 1 1348 138 138 GLN CG C 33.02 0.1 1 1349 138 138 GLN N N 122.82 0.1 1 1350 138 138 GLN NE2 N 112.32 0.1 1 1351 139 139 PRO HA H 4.35 0.01 1 1352 139 139 PRO HB2 H 2.18 0.01 2 1353 139 139 PRO HB3 H 1.79 0.01 2 1354 139 139 PRO HD2 H 3.78 0.01 2 1355 139 139 PRO HD3 H 3.59 0.01 2 1356 139 139 PRO HG2 H 1.93 0.01 1 1357 139 139 PRO CA C 63.23 0.1 1 1358 139 139 PRO CB C 31.55 0.1 1 1359 139 139 PRO CD C 50.14 0.1 1 1360 139 139 PRO CG C 26.76 0.1 1 1361 140 140 PHE H H 8.10 0.01 1 1362 140 140 PHE HA H 4.60 0.01 1 1363 140 140 PHE HB2 H 3.09 0.01 2 1364 140 140 PHE HB3 H 3.03 0.01 2 1365 140 140 PHE HD1 H 7.24 0.01 1 1366 140 140 PHE HE1 H 7.28 0.01 1 1367 140 140 PHE HZ H 7.27 0.01 1 1368 140 140 PHE C C 174.98 0.1 1 1369 140 140 PHE CA C 57.24 0.1 1 1370 140 140 PHE CB C 39.26 0.1 1 1371 140 140 PHE CD1 C 130.75 0.1 1 1372 140 140 PHE CE2 C 130.96 0.1 1 1373 140 140 PHE CZ C 128.93 0.1 1 1374 140 140 PHE N N 119.46 0.1 1 1375 141 141 ASN H H 8.24 0.01 1 1376 141 141 ASN HA H 4.65 0.01 1 1377 141 141 ASN HB2 H 2.70 0.01 2 1378 141 141 ASN HB3 H 2.60 0.01 2 1379 141 141 ASN C C 173.99 0.1 1 1380 141 141 ASN CA C 52.67 0.1 1 1381 141 141 ASN CB C 38.91 0.1 1 1382 141 141 ASN N N 120.28 0.1 1 1383 142 142 LEU H H 8.06 0.01 1 1384 142 142 LEU HA H 4.54 0.01 1 1385 142 142 LEU HB3 H 1.55 0.01 1 1386 142 142 LEU HD1 H 0.90 0.01 1 1387 142 142 LEU HD2 H 0.91 0.01 1 1388 142 142 LEU HG H 1.54 0.01 1 1389 142 142 LEU C C 174.84 0.1 1 1390 142 142 LEU CA C 52.89 0.1 1 1391 142 142 LEU CB C 41.74 0.1 1 1392 142 142 LEU CD1 C 23.14 0.1 1 1393 142 142 LEU CD2 C 24.69 0.1 1 1394 142 142 LEU CG C 27.03 0.1 1 1395 142 142 LEU N N 123.70 0.1 1 1396 143 143 PRO HA H 4.39 0.01 1 1397 143 143 PRO HB2 H 2.26 0.01 1 1398 143 143 PRO HD2 H 3.79 0.01 2 1399 143 143 PRO HD3 H 3.62 0.01 2 1400 143 143 PRO HG2 H 2.01 0.01 1 1401 143 143 PRO CA C 62.87 0.1 1 1402 143 143 PRO CB C 32.04 0.1 1 1403 143 143 PRO CD C 50.36 0.1 1 1404 143 143 PRO CG C 27.24 0.1 1 1405 144 144 MET H H 8.43 0.01 1 1406 144 144 MET HA H 4.42 0.01 1 1407 144 144 MET HB2 H 2.05 0.01 2 1408 144 144 MET HB3 H 1.98 0.01 2 1409 144 144 MET HG2 H 2.58 0.01 2 1410 144 144 MET HG3 H 2.52 0.01 2 1411 144 144 MET C C 175.82 0.1 1 1412 144 144 MET CA C 55.42 0.1 1 1413 144 144 MET CB C 32.95 0.1 1 1414 144 144 MET CG C 31.54 0.1 1 1415 144 144 MET N N 120.66 0.1 1 1416 145 145 ASP H H 8.34 0.01 1 1417 145 145 ASP HA H 4.63 0.01 1 1418 145 145 ASP HB2 H 2.65 0.01 2 1419 145 145 ASP HB3 H 2.70 0.01 2 1420 145 145 ASP C C 176.17 0.1 1 1421 145 145 ASP CA C 54.01 0.1 1 1422 145 145 ASP CB C 41.16 0.1 1 1423 145 145 ASP N N 121.66 0.1 1 1424 146 146 SER H H 8.31 0.01 1 1425 146 146 SER HA H 4.38 0.01 1 1426 146 146 SER HB2 H 3.84 0.01 2 1427 146 146 SER HB3 H 3.76 0.01 2 1428 146 146 SER C C 174.84 0.1 1 1429 146 146 SER CA C 58.65 0.1 1 1430 146 146 SER CB C 63.63 0.1 1 1431 146 146 SER N N 116.88 0.1 1 1432 147 147 GLY H H 8.45 0.01 1 1433 147 147 GLY HA2 H 3.92 0.01 1 1434 147 147 GLY C C 173.29 0.1 1 1435 147 147 GLY CA C 44.87 0.1 1 1436 147 147 GLY N N 110.76 0.1 1 1437 148 148 ALA H H 8.01 0.01 1 1438 148 148 ALA HA H 4.57 0.01 1 1439 148 148 ALA HB H 1.31 0.01 1 1440 148 148 ALA C C 175.52 0.1 1 1441 148 148 ALA CA C 50.11 0.1 1 1442 148 148 ALA CB C 17.77 0.1 1 1443 148 148 ALA N N 124.84 0.1 1 1444 149 149 PRO HA H 4.39 0.01 1 1445 149 149 PRO HB2 H 2.26 0.01 2 1446 149 149 PRO HB3 H 1.85 0.01 2 1447 149 149 PRO HD2 H 3.79 0.01 2 1448 149 149 PRO HD3 H 3.62 0.01 2 1449 149 149 PRO HG3 H 1.99 0.01 1 1450 149 149 PRO CA C 62.94 0.1 1 1451 149 149 PRO CB C 31.84 0.1 1 1452 149 149 PRO CD C 50.10 0.1 1 1453 149 149 PRO CG C 26.73 0.1 1 1454 150 150 GLY H H 8.55 0.01 1 1455 150 150 GLY HA2 H 4.17 0.01 2 1456 150 150 GLY HA3 H 3.95 0.01 2 1457 150 150 GLY C C 174.77 0.1 1 1458 150 150 GLY CA C 45.10 0.1 1 1459 150 150 GLY N N 109.81 0.1 1 1460 151 151 GLY H H 8.33 0.01 1 1461 151 151 GLY HA2 H 3.97 0.01 1 1462 151 151 GLY C C 174.64 0.1 1 1463 151 151 GLY CA C 45.03 0.1 1 1464 151 151 GLY N N 108.76 0.1 1 1465 152 152 GLY H H 8.30 0.01 1 1466 152 152 GLY HA2 H 3.98 0.01 1 1467 152 152 GLY CA C 45.18 0.1 1 1468 152 152 GLY N N 108.76 0.1 1 stop_ save_