data_15423 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and sidechain 1H, 13C, and 15N Chemical Shift Assignments for FimA ; _BMRB_accession_number 15423 _BMRB_flat_file_name bmr15423.str _Entry_type original _Submission_date 2007-08-08 _Accession_date 2007-08-08 _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 Erilov Denis . . 2 Wider Gerhard . . 3 Glockshuber Rudi . . 4 Puorger Chasper . . 5 Vetsch Michael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 812 "13C chemical shifts" 680 "15N chemical shifts" 206 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-10-20 original author . stop_ _Original_release_date 2009-10-20 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure, Folding and Stability of FimA' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Erilov Denis . . 2 Puorger Chasper . . 3 Vetsch Michael . . 4 Wider Gerhard . . 5 Glockshuber Rudi . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'a single polypeptide chain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label FimA $FimA 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_FimA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FimA _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 184 _Mol_residue_sequence ; AATTVNGGTVHFKGEVVNAA CAVDAGSVDQTVQLGQVRTA SLAQEGATSSAVGFNIQLND CDTNVASKAAVAFLGTAIDA GHTNVLALQSSAAGSATNVG VQILDRTGAALTLDGATFSS ETTLNNGTNTIPFQARYFAT GAATPGAANADATFKVQYQG GGGGGAATTVNGGTVHFKGE VVNA ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ALA 3 THR 4 THR 5 VAL 6 ASN 7 GLY 8 GLY 9 THR 10 VAL 11 HIS 12 PHE 13 LYS 14 GLY 15 GLU 16 VAL 17 VAL 18 ASN 19 ALA 20 ALA 21 CYS 22 ALA 23 VAL 24 ASP 25 ALA 26 GLY 27 SER 28 VAL 29 ASP 30 GLN 31 THR 32 VAL 33 GLN 34 LEU 35 GLY 36 GLN 37 VAL 38 ARG 39 THR 40 ALA 41 SER 42 LEU 43 ALA 44 GLN 45 GLU 46 GLY 47 ALA 48 THR 49 SER 50 SER 51 ALA 52 VAL 53 GLY 54 PHE 55 ASN 56 ILE 57 GLN 58 LEU 59 ASN 60 ASP 61 CYS 62 ASP 63 THR 64 ASN 65 VAL 66 ALA 67 SER 68 LYS 69 ALA 70 ALA 71 VAL 72 ALA 73 PHE 74 LEU 75 GLY 76 THR 77 ALA 78 ILE 79 ASP 80 ALA 81 GLY 82 HIS 83 THR 84 ASN 85 VAL 86 LEU 87 ALA 88 LEU 89 GLN 90 SER 91 SER 92 ALA 93 ALA 94 GLY 95 SER 96 ALA 97 THR 98 ASN 99 VAL 100 GLY 101 VAL 102 GLN 103 ILE 104 LEU 105 ASP 106 ARG 107 THR 108 GLY 109 ALA 110 ALA 111 LEU 112 THR 113 LEU 114 ASP 115 GLY 116 ALA 117 THR 118 PHE 119 SER 120 SER 121 GLU 122 THR 123 THR 124 LEU 125 ASN 126 ASN 127 GLY 128 THR 129 ASN 130 THR 131 ILE 132 PRO 133 PHE 134 GLN 135 ALA 136 ARG 137 TYR 138 PHE 139 ALA 140 THR 141 GLY 142 ALA 143 ALA 144 THR 145 PRO 146 GLY 147 ALA 148 ALA 149 ASN 150 ALA 151 ASP 152 ALA 153 THR 154 PHE 155 LYS 156 VAL 157 GLN 158 TYR 159 GLN 160 GLY 161 GLY 162 GLY 163 GLY 164 GLY 165 GLY 166 ALA 167 ALA 168 THR 169 THR 170 VAL 171 ASN 172 GLY 173 GLY 174 THR 175 VAL 176 HIS 177 PHE 178 LYS 179 GLY 180 GLU 181 VAL 182 VAL 183 ASN 184 ALA 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 2JTY "Self-Complemented Variant Of Fima, The Main Subunit Of Type 1 Pilus" 100.00 184 100.00 100.00 9.45e-122 PDB 3SQB "Structure Of The Major Type 1 Pilus Subunit Fima Bound To The Fimc Chaperone" 80.98 152 98.66 98.66 1.25e-95 PDB 4DWH "Structure Of The Major Type 1 Pilus Subunit Fima Bound To The Fimc (2.5 A Resolution)" 77.72 143 99.30 100.00 6.54e-92 DBJ BAE78307 "major type 1 subunit fimbrin [Escherichia coli str. K12 substr. W3110]" 86.41 182 100.00 100.00 4.46e-105 DBJ BAJ46028 "type 1 fimbriae major subunit FimA [Escherichia coli DH1]" 86.41 182 100.00 100.00 4.46e-105 EMBL CAA25489 "unnamed protein product [Escherichia coli]" 86.41 181 99.37 99.37 1.82e-102 EMBL CAQ34662 "major type 1 subunit fimbrin (pilin), subunit of fimbrial complex [Escherichia coli BL21(DE3)]" 86.41 182 100.00 100.00 4.46e-105 EMBL CAR16032 "major type 1 subunit fimbrin (pilin) [Escherichia coli UMN026]" 86.41 182 100.00 100.00 4.46e-105 EMBL CAS12169 "major type 1 subunit fimbrin (pilin) [Escherichia coli O127:H6 str. E2348/69]" 86.41 182 98.74 98.74 9.27e-104 EMBL CCJ47011 "major type 1 subunit fimbrin (pilin) [Escherichia coli]" 86.41 182 98.74 98.74 7.71e-103 GB AAA24389 "pilin (pilA) [Escherichia coli]" 86.41 182 100.00 100.00 8.22e-105 GB AAA97210 "type 1 fimbrial subunit [Escherichia coli str. K-12 substr. MG1655]" 86.41 182 100.00 100.00 4.46e-105 GB AAC77270 "major type 1 subunit fimbrin (pilin) [Escherichia coli str. K-12 substr. MG1655]" 86.41 182 100.00 100.00 4.46e-105 GB AAG35683 "type-1 fimbrial major subunit [Escherichia coli]" 86.41 182 99.37 99.37 3.11e-104 GB AAO84630 "FimA [Escherichia coli]" 86.41 182 98.74 98.74 7.71e-103 REF NP_418734 "major type 1 subunit fimbrin (pilin) [Escherichia coli str. K-12 substr. MG1655]" 86.41 182 100.00 100.00 4.46e-105 REF WP_000695553 "type-1 fimbrial protein subunit A [Escherichia coli]" 72.28 156 97.74 99.25 1.58e-82 REF WP_000695557 "type-1 fimbrial protein subunit A [Escherichia coli]" 86.41 182 98.74 98.74 1.14e-103 REF WP_000695559 "type-1 fimbrial protein subunit A [Escherichia coli]" 86.41 182 98.11 98.11 8.69e-103 REF WP_000695560 "type-1 fimbrial protein subunit A [Escherichia coli]" 86.41 182 98.74 98.74 1.60e-103 SP P04128 "RecName: Full=Type-1 fimbrial protein, A chain; AltName: Full=Type-1A pilin; Flags: Precursor" 86.41 182 100.00 100.00 4.46e-105 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $FimA 'E. coli' 562 Bacteria . Escherichia coli 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 $FimA 'recombinant technology' . Escherichia coli . pET-11a 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 $FimA 1.7 mM '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 10 mM 'natural abundance' H2O 50 M 'natural abundance' D2O 5 M . stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Peter Guntert' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _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_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HcCH_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HcCH TOCSY' _Sample_label $sample_1 save_ save_CBHD_11 _Saveframe_category NMR_applied_experiment _Experiment_name CBHD _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aro_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aro' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aro_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aro' _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' 18 . mM pH 7.0 . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 $citation_1 $citation_1 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $citation_1 $citation_1 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 $citation_1 $citation_1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D 1H-15N TOCSY' '3D HcCH TOCSY' '3D 1H-13C NOESY aro' '2D 1H-13C HSQC aro' CBHD 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 FimA _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 THR H H 8.30 0.02 1 2 3 3 THR HA H 4.41 0.02 1 3 3 3 THR HB H 4.22 0.02 1 4 3 3 THR HG2 H 1.20 0.02 1 5 3 3 THR C C 174.7 0.3 1 6 3 3 THR CA C 61.6 0.3 1 7 3 3 THR CB C 69.9 0.3 1 8 3 3 THR CG2 C 21.5 0.3 1 9 3 3 THR N N 114.0 0.3 1 10 4 4 THR H H 8.23 0.02 1 11 4 4 THR HA H 4.42 0.02 1 12 4 4 THR HB H 4.20 0.02 1 13 4 4 THR HG2 H 1.17 0.02 1 14 4 4 THR C C 174.6 0.3 1 15 4 4 THR CA C 61.6 0.3 1 16 4 4 THR CB C 70.0 0.3 1 17 4 4 THR CG2 C 21.7 0.3 1 18 4 4 THR N N 116.8 0.3 1 19 5 5 VAL H H 8.28 0.02 1 20 5 5 VAL HA H 4.13 0.02 1 21 5 5 VAL HB H 2.05 0.02 1 22 5 5 VAL C C 176.1 0.3 1 23 5 5 VAL CA C 62.4 0.3 1 24 5 5 VAL CB C 32.8 0.3 1 25 5 5 VAL CG1 C 20.6 0.3 1 26 5 5 VAL N N 122.5 0.3 1 27 6 6 ASN H H 8.61 0.02 1 28 6 6 ASN HA H 4.71 0.02 1 29 6 6 ASN HB2 H 2.76 0.02 2 30 6 6 ASN HB3 H 2.85 0.02 2 31 6 6 ASN HD21 H 8.11 0.02 1 32 6 6 ASN HD22 H 6.96 0.02 1 33 6 6 ASN C C 175.8 0.3 1 34 6 6 ASN CA C 53.4 0.3 1 35 6 6 ASN CB C 38.9 0.3 1 36 6 6 ASN N N 122.6 0.3 1 37 6 6 ASN ND2 N 115.9 0.3 1 38 7 7 GLY H H 8.45 0.02 1 39 7 7 GLY C C 174.8 0.3 1 40 7 7 GLY CA C 45.6 0.3 1 41 7 7 GLY N N 109.7 0.3 1 42 8 8 GLY H H 8.28 0.02 1 43 8 8 GLY HA2 H 3.96 0.02 2 44 8 8 GLY HA3 H 4.03 0.02 2 45 8 8 GLY C C 174.2 0.3 1 46 8 8 GLY CA C 45.2 0.3 1 47 8 8 GLY N N 108.5 0.3 1 48 9 9 THR H H 8.10 0.02 1 49 9 9 THR HA H 4.32 0.02 1 50 9 9 THR HB H 4.12 0.02 1 51 9 9 THR HG2 H 1.10 0.02 1 52 9 9 THR C C 174.5 0.3 1 53 9 9 THR CA C 62.0 0.3 1 54 9 9 THR CB C 69.9 0.3 1 55 9 9 THR CG2 C 21.7 0.3 1 56 9 9 THR N N 114.3 0.3 1 57 10 10 VAL H H 8.17 0.02 1 58 10 10 VAL HA H 4.04 0.02 1 59 10 10 VAL HB H 1.94 0.02 1 60 10 10 VAL HG1 H 0.77 0.02 1 61 10 10 VAL HG2 H 0.84 0.02 1 62 10 10 VAL C C 175.6 0.3 1 63 10 10 VAL CA C 62.2 0.3 1 64 10 10 VAL CB C 32.8 0.3 1 65 10 10 VAL CG1 C 21.2 0.3 1 66 10 10 VAL CG2 C 20.6 0.3 1 67 10 10 VAL N N 122.9 0.3 1 68 11 11 HIS H H 8.42 0.02 1 69 11 11 HIS HA H 4.67 0.02 1 70 11 11 HIS HB2 H 2.98 0.02 2 71 11 11 HIS HB3 H 3.08 0.02 2 72 11 11 HIS HD2 H 7.03 0.02 1 73 11 11 HIS HE1 H 8.04 0.02 1 74 11 11 HIS CA C 55.7 0.3 1 75 11 11 HIS CB C 30.5 0.3 1 76 11 11 HIS CD2 C 119.9 0.3 1 77 11 11 HIS CE1 C 137.7 0.3 1 78 11 11 HIS N N 123.3 0.3 1 79 12 12 PHE H H 8.31 0.02 1 80 12 12 PHE HA H 4.62 0.02 1 81 12 12 PHE HB2 H 3.04 0.02 2 82 12 12 PHE HB3 H 3.07 0.02 2 83 12 12 PHE HZ H 7.30 0.02 1 84 12 12 PHE C C 175.5 0.3 1 85 12 12 PHE CA C 57.7 0.3 1 86 12 12 PHE CB C 39.9 0.3 1 87 12 12 PHE CD1 C 131.8 0.3 1 88 12 12 PHE CE1 C 131.7 0.3 1 89 12 12 PHE CZ C 129.9 0.3 1 90 12 12 PHE N N 122.3 0.3 1 91 13 13 LYS H H 8.45 0.02 1 92 13 13 LYS HA H 4.23 0.02 1 93 13 13 LYS HB2 H 1.80 0.02 2 94 13 13 LYS HB3 H 1.68 0.02 2 95 13 13 LYS HG2 H 1.34 0.02 2 96 13 13 LYS HG3 H 1.37 0.02 2 97 13 13 LYS C C 176.6 0.3 1 98 13 13 LYS CA C 56.5 0.3 1 99 13 13 LYS CB C 32.9 0.3 1 100 13 13 LYS CD C 29.1 0.3 1 101 13 13 LYS CE C 42.1 0.3 1 102 13 13 LYS CG C 24.7 0.3 1 103 13 13 LYS N N 124.3 0.3 1 104 14 14 GLY H H 7.94 0.02 1 105 14 14 GLY HA2 H 3.86 0.02 2 106 14 14 GLY HA3 H 3.92 0.02 2 107 14 14 GLY C C 173.8 0.3 1 108 14 14 GLY CA C 45.2 0.3 1 109 14 14 GLY N N 109.8 0.3 1 110 15 15 GLU H H 8.22 0.02 1 111 15 15 GLU HA H 4.29 0.02 1 112 15 15 GLU HB2 H 1.87 0.02 2 113 15 15 GLU HB3 H 2.00 0.02 2 114 15 15 GLU HG2 H 2.22 0.02 2 115 15 15 GLU HG3 H 2.25 0.02 2 116 15 15 GLU C C 176.4 0.3 1 117 15 15 GLU CA C 56.5 0.3 1 118 15 15 GLU CB C 30.5 0.3 1 119 15 15 GLU CG C 36.2 0.3 1 120 15 15 GLU N N 120.6 0.3 1 121 16 16 VAL H H 8.30 0.02 1 122 16 16 VAL HA H 4.11 0.02 1 123 16 16 VAL HB H 2.02 0.02 1 124 16 16 VAL HG1 H 0.93 0.02 1 125 16 16 VAL HG2 H 0.89 0.02 1 126 16 16 VAL C C 176.0 0.3 1 127 16 16 VAL CA C 62.3 0.3 1 128 16 16 VAL CB C 32.9 0.3 1 129 16 16 VAL CG1 C 20.9 0.3 1 130 16 16 VAL CG2 C 21.3 0.3 1 131 16 16 VAL N N 122.1 0.3 1 132 17 17 VAL H H 8.29 0.02 1 133 17 17 VAL HA H 4.11 0.02 1 134 17 17 VAL HB H 2.01 0.02 1 135 17 17 VAL C C 175.5 0.3 1 136 17 17 VAL CA C 62.0 0.3 1 137 17 17 VAL CB C 32.8 0.3 1 138 17 17 VAL CG1 C 20.6 0.3 1 139 17 17 VAL N N 124.8 0.3 1 140 18 18 ASN H H 8.47 0.02 1 141 18 18 ASN HA H 4.71 0.02 1 142 18 18 ASN HB2 H 2.63 0.02 2 143 18 18 ASN HB3 H 2.75 0.02 2 144 18 18 ASN HD21 H 7.55 0.02 1 145 18 18 ASN HD22 H 6.82 0.02 1 146 18 18 ASN C C 174.1 0.3 1 147 18 18 ASN CA C 52.8 0.3 1 148 18 18 ASN CB C 39.0 0.3 1 149 18 18 ASN N N 123.2 0.3 1 150 18 18 ASN ND2 N 112.5 0.3 1 151 19 19 ALA H H 8.14 0.02 1 152 19 19 ALA HA H 4.08 0.02 1 153 19 19 ALA HB H 1.43 0.02 1 154 19 19 ALA C C 178.0 0.3 1 155 19 19 ALA CA C 51.7 0.3 1 156 19 19 ALA CB C 20.3 0.3 1 157 19 19 ALA N N 123.4 0.3 1 158 20 20 ALA H H 6.48 0.02 1 159 20 20 ALA HA H 3.71 0.02 1 160 20 20 ALA HB H 0.95 0.02 1 161 20 20 ALA C C 176.0 0.3 1 162 20 20 ALA CA C 54.7 0.3 1 163 20 20 ALA CB C 21.0 0.3 1 164 20 20 ALA N N 120.9 0.3 1 165 21 21 CYS H H 6.33 0.02 1 166 21 21 CYS HA H 4.78 0.02 1 167 21 21 CYS HB2 H 3.52 0.02 2 168 21 21 CYS HB3 H 3.17 0.02 2 169 21 21 CYS C C 172.5 0.3 1 170 21 21 CYS CA C 53.1 0.3 1 171 21 21 CYS CB C 50.5 0.3 1 172 21 21 CYS N N 107.8 0.3 1 173 22 22 ALA H H 8.91 0.02 1 174 22 22 ALA HA H 4.77 0.02 1 175 22 22 ALA HB H 1.34 0.02 1 176 22 22 ALA C C 176.8 0.3 1 177 22 22 ALA CA C 50.6 0.3 1 178 22 22 ALA CB C 21.6 0.3 1 179 22 22 ALA N N 123.9 0.3 1 180 23 23 VAL H H 8.82 0.02 1 181 23 23 VAL HA H 4.10 0.02 1 182 23 23 VAL HB H 1.97 0.02 1 183 23 23 VAL HG1 H 1.02 0.02 1 184 23 23 VAL HG2 H 1.08 0.02 1 185 23 23 VAL C C 176.5 0.3 1 186 23 23 VAL CA C 63.7 0.3 1 187 23 23 VAL CB C 31.5 0.3 1 188 23 23 VAL CG1 C 22.0 0.3 1 189 23 23 VAL CG2 C 22.3 0.3 1 190 23 23 VAL N N 123.6 0.3 1 191 24 24 ASP H H 8.66 0.02 1 192 24 24 ASP HA H 4.31 0.02 1 193 24 24 ASP HB2 H 2.52 0.02 2 194 24 24 ASP HB3 H 2.65 0.02 2 195 24 24 ASP C C 177.6 0.3 1 196 24 24 ASP CA C 56.1 0.3 1 197 24 24 ASP CB C 44.7 0.3 1 198 24 24 ASP N N 128.0 0.3 1 199 25 25 ALA H H 8.87 0.02 1 200 25 25 ALA HA H 4.15 0.02 1 201 25 25 ALA HB H 1.50 0.02 1 202 25 25 ALA C C 180.2 0.3 1 203 25 25 ALA CA C 55.8 0.3 1 204 25 25 ALA CB C 18.7 0.3 1 205 25 25 ALA N N 127.9 0.3 1 206 26 26 GLY H H 8.70 0.02 1 207 26 26 GLY HA2 H 4.17 0.02 2 208 26 26 GLY HA3 H 3.85 0.02 2 209 26 26 GLY C C 175.1 0.3 1 210 26 26 GLY CA C 46.2 0.3 1 211 26 26 GLY N N 105.3 0.3 1 212 27 27 SER H H 8.30 0.02 1 213 27 27 SER HA H 4.91 0.02 1 214 27 27 SER HB2 H 4.03 0.02 2 215 27 27 SER HB3 H 4.24 0.02 2 216 27 27 SER C C 174.6 0.3 1 217 27 27 SER CA C 59.3 0.3 1 218 27 27 SER CB C 65.7 0.3 1 219 27 27 SER N N 113.4 0.3 1 220 28 28 VAL H H 7.29 0.02 1 221 28 28 VAL HA H 4.07 0.02 1 222 28 28 VAL HB H 2.21 0.02 1 223 28 28 VAL HG1 H 1.04 0.02 1 224 28 28 VAL HG2 H 1.10 0.02 1 225 28 28 VAL C C 176.3 0.3 1 226 28 28 VAL CA C 64.7 0.3 1 227 28 28 VAL CB C 32.7 0.3 1 228 28 28 VAL CG1 C 21.7 0.3 1 229 28 28 VAL CG2 C 21.7 0.3 1 230 28 28 VAL N N 119.0 0.3 1 231 29 29 ASP H H 7.91 0.02 1 232 29 29 ASP HA H 5.31 0.02 1 233 29 29 ASP HB2 H 2.73 0.02 2 234 29 29 ASP HB3 H 2.42 0.02 2 235 29 29 ASP C C 175.0 0.3 1 236 29 29 ASP CA C 54.5 0.3 1 237 29 29 ASP CB C 42.7 0.3 1 238 29 29 ASP N N 123.1 0.3 1 239 30 30 GLN H H 7.68 0.02 1 240 30 30 GLN HA H 4.84 0.02 1 241 30 30 GLN HE21 H 7.52 0.02 1 242 30 30 GLN HE22 H 7.42 0.02 1 243 30 30 GLN HG2 H 1.74 0.02 2 244 30 30 GLN HG3 H 2.44 0.02 2 245 30 30 GLN C C 173.9 0.3 1 246 30 30 GLN CA C 55.0 0.3 1 247 30 30 GLN CB C 32.4 0.3 1 248 30 30 GLN CG C 34.1 0.3 1 249 30 30 GLN N N 119.7 0.3 1 250 30 30 GLN NE2 N 108.1 0.3 1 251 31 31 THR H H 8.96 0.02 1 252 31 31 THR HA H 5.16 0.02 1 253 31 31 THR HB H 3.90 0.02 1 254 31 31 THR HG2 H 1.00 0.02 1 255 31 31 THR C C 173.6 0.3 1 256 31 31 THR CA C 62.0 0.3 1 257 31 31 THR CB C 70.3 0.3 1 258 31 31 THR CG2 C 21.6 0.3 1 259 31 31 THR N N 118.9 0.3 1 260 32 32 VAL H H 9.21 0.02 1 261 32 32 VAL HA H 4.07 0.02 1 262 32 32 VAL HB H 1.61 0.02 1 263 32 32 VAL HG1 H 0.77 0.02 1 264 32 32 VAL HG2 H 0.09 0.02 1 265 32 32 VAL C C 174.4 0.3 1 266 32 32 VAL CA C 61.2 0.3 1 267 32 32 VAL CB C 33.6 0.3 1 268 32 32 VAL CG1 C 20.2 0.3 1 269 32 32 VAL CG2 C 20.2 0.3 1 270 32 32 VAL N N 131.3 0.3 1 271 33 33 GLN H H 8.89 0.02 1 272 33 33 GLN HA H 4.76 0.02 1 273 33 33 GLN HB2 H 2.15 0.02 2 274 33 33 GLN HB3 H 1.99 0.02 2 275 33 33 GLN HE21 H 7.56 0.02 1 276 33 33 GLN HE22 H 6.69 0.02 1 277 33 33 GLN HG2 H 2.42 0.02 2 278 33 33 GLN HG3 H 2.37 0.02 2 279 33 33 GLN C C 175.9 0.3 1 280 33 33 GLN CA C 54.4 0.3 1 281 33 33 GLN CB C 27.5 0.3 1 282 33 33 GLN CG C 32.7 0.3 1 283 33 33 GLN N N 127.2 0.3 1 284 33 33 GLN NE2 N 109.7 0.3 1 285 34 34 LEU H H 9.51 0.02 1 286 34 34 LEU HA H 4.29 0.02 1 287 34 34 LEU HB2 H 1.79 0.02 2 288 34 34 LEU HB3 H 1.29 0.02 2 289 34 34 LEU HD1 H 0.36 0.02 1 290 34 34 LEU HD2 H 0.13 0.02 1 291 34 34 LEU HG H 1.40 0.02 1 292 34 34 LEU C C 177.9 0.3 1 293 34 34 LEU CA C 56.2 0.3 1 294 34 34 LEU CB C 41.3 0.3 1 295 34 34 LEU CD1 C 23.7 0.3 1 296 34 34 LEU CD2 C 25.7 0.3 1 297 34 34 LEU CG C 27.9 0.3 1 298 34 34 LEU N N 126.8 0.3 1 299 35 35 GLY H H 8.31 0.02 1 300 35 35 GLY HA2 H 3.81 0.02 2 301 35 35 GLY HA3 H 4.23 0.02 2 302 35 35 GLY C C 171.9 0.3 1 303 35 35 GLY CA C 44.4 0.3 1 304 35 35 GLY N N 106.5 0.3 1 305 36 36 GLN H H 7.99 0.02 1 306 36 36 GLN HA H 5.31 0.02 1 307 36 36 GLN HB2 H 2.04 0.02 2 308 36 36 GLN HB3 H 1.73 0.02 2 309 36 36 GLN HE21 H 7.70 0.02 1 310 36 36 GLN HE22 H 6.85 0.02 1 311 36 36 GLN HG2 H 2.14 0.02 2 312 36 36 GLN HG3 H 2.40 0.02 2 313 36 36 GLN C C 176.7 0.3 1 314 36 36 GLN CA C 54.5 0.3 1 315 36 36 GLN CB C 30.1 0.3 1 316 36 36 GLN CG C 34.7 0.3 1 317 36 36 GLN N N 115.7 0.3 1 318 36 36 GLN NE2 N 112.9 0.3 1 319 37 37 VAL H H 8.91 0.02 1 320 37 37 VAL HA H 4.50 0.02 1 321 37 37 VAL HB H 1.89 0.02 1 322 37 37 VAL HG1 H 0.99 0.02 1 323 37 37 VAL HG2 H 0.99 0.02 1 324 37 37 VAL C C 174.7 0.3 1 325 37 37 VAL CA C 60.2 0.3 1 326 37 37 VAL CB C 34.8 0.3 1 327 37 37 VAL CG1 C 22.1 0.3 1 328 37 37 VAL CG2 C 21.3 0.3 1 329 37 37 VAL N N 124.3 0.3 1 330 38 38 ARG H H 8.75 0.02 1 331 38 38 ARG HA H 4.94 0.02 1 332 38 38 ARG HB2 H 2.09 0.02 2 333 38 38 ARG HB3 H 1.73 0.02 2 334 38 38 ARG HE H 7.38 0.02 1 335 38 38 ARG HG2 H 1.77 0.02 2 336 38 38 ARG HG3 H 1.54 0.02 2 337 38 38 ARG C C 179.5 0.3 1 338 38 38 ARG CA C 55.7 0.3 1 339 38 38 ARG CB C 30.7 0.3 1 340 38 38 ARG CD C 43.6 0.3 1 341 38 38 ARG CG C 28.2 0.3 1 342 38 38 ARG N N 125.4 0.3 1 343 38 38 ARG NE N 114.7 0.3 1 344 39 39 THR H H 8.82 0.02 1 345 39 39 THR HA H 3.32 0.02 1 346 39 39 THR HB H 4.16 0.02 1 347 39 39 THR HG2 H 0.90 0.02 1 348 39 39 THR C C 178.5 0.3 1 349 39 39 THR CA C 65.7 0.3 1 350 39 39 THR CB C 67.3 0.3 1 351 39 39 THR CG2 C 24.2 0.3 1 352 39 39 THR N N 116.2 0.3 1 353 40 40 ALA H H 8.06 0.02 1 354 40 40 ALA HA H 4.11 0.02 1 355 40 40 ALA HB H 1.40 0.02 1 356 40 40 ALA C C 178.9 0.3 1 357 40 40 ALA CA C 54.5 0.3 1 358 40 40 ALA CB C 18.8 0.3 1 359 40 40 ALA N N 121.2 0.3 1 360 41 41 SER H H 7.58 0.02 1 361 41 41 SER HA H 4.46 0.02 1 362 41 41 SER HB2 H 3.99 0.02 2 363 41 41 SER HB3 H 3.96 0.02 2 364 41 41 SER C C 172.9 0.3 1 365 41 41 SER CA C 59.4 0.3 1 366 41 41 SER CB C 63.7 0.3 1 367 41 41 SER N N 112.3 0.3 1 368 42 42 LEU H H 7.33 0.02 1 369 42 42 LEU HA H 4.46 0.02 1 370 42 42 LEU HB2 H 1.47 0.02 2 371 42 42 LEU HB3 H 1.22 0.02 2 372 42 42 LEU HD1 H 0.56 0.02 1 373 42 42 LEU HD2 H 0.51 0.02 1 374 42 42 LEU HG H 1.25 0.02 1 375 42 42 LEU C C 174.4 0.3 1 376 42 42 LEU CA C 52.1 0.3 1 377 42 42 LEU CB C 43.8 0.3 1 378 42 42 LEU CD1 C 22.5 0.3 1 379 42 42 LEU CD2 C 27.9 0.3 1 380 42 42 LEU CG C 25.8 0.3 1 381 42 42 LEU N N 124.5 0.3 1 382 43 43 ALA H H 7.52 0.02 1 383 43 43 ALA HA H 4.55 0.02 1 384 43 43 ALA HB H 1.36 0.02 1 385 43 43 ALA C C 176.6 0.3 1 386 43 43 ALA CA C 53.3 0.3 1 387 43 43 ALA CB C 20.0 0.3 1 388 43 43 ALA N N 118.2 0.3 1 389 44 44 GLN H H 7.04 0.02 1 390 44 44 GLN HA H 4.15 0.02 1 391 44 44 GLN HB2 H 2.07 0.02 2 392 44 44 GLN HB3 H 1.84 0.02 2 393 44 44 GLN HE21 H 7.49 0.02 1 394 44 44 GLN HE22 H 6.78 0.02 1 395 44 44 GLN C C 172.8 0.3 1 396 44 44 GLN CA C 53.4 0.3 1 397 44 44 GLN CB C 31.6 0.3 1 398 44 44 GLN CG C 32.3 0.3 1 399 44 44 GLN N N 111.9 0.3 1 400 44 44 GLN NE2 N 111.8 0.3 1 401 45 45 GLU H H 8.49 0.02 1 402 45 45 GLU HA H 3.68 0.02 1 403 45 45 GLU HB2 H 1.76 0.02 2 404 45 45 GLU HB3 H 1.82 0.02 2 405 45 45 GLU HG2 H 2.24 0.02 2 406 45 45 GLU HG3 H 2.30 0.02 2 407 45 45 GLU C C 177.5 0.3 1 408 45 45 GLU CA C 57.1 0.3 1 409 45 45 GLU CB C 28.5 0.3 1 410 45 45 GLU CG C 35.5 0.3 1 411 45 45 GLU N N 120.3 0.3 1 412 46 46 GLY H H 8.52 0.02 1 413 46 46 GLY HA2 H 4.14 0.02 2 414 46 46 GLY HA3 H 3.05 0.02 2 415 46 46 GLY C C 173.9 0.3 1 416 46 46 GLY CA C 44.4 0.3 1 417 46 46 GLY N N 115.1 0.3 1 418 47 47 ALA H H 7.69 0.02 1 419 47 47 ALA HA H 4.32 0.02 1 420 47 47 ALA HB H 1.57 0.02 1 421 47 47 ALA C C 176.0 0.3 1 422 47 47 ALA CA C 52.8 0.3 1 423 47 47 ALA CB C 19.9 0.3 1 424 47 47 ALA N N 123.6 0.3 1 425 48 48 THR H H 7.96 0.02 1 426 48 48 THR HA H 5.44 0.02 1 427 48 48 THR HB H 4.36 0.02 1 428 48 48 THR HG2 H 1.22 0.02 1 429 48 48 THR C C 175.7 0.3 1 430 48 48 THR CA C 58.5 0.3 1 431 48 48 THR CB C 73.5 0.3 1 432 48 48 THR CG2 C 22.0 0.3 1 433 48 48 THR N N 107.7 0.3 1 434 49 49 SER H H 8.24 0.02 1 435 49 49 SER HA H 4.81 0.02 1 436 49 49 SER C C 174.0 0.3 1 437 49 49 SER CA C 57.1 0.3 1 438 49 49 SER CB C 65.8 0.3 1 439 49 49 SER N N 115.4 0.3 1 440 50 50 SER H H 8.64 0.02 1 441 50 50 SER HA H 4.34 0.02 1 442 50 50 SER HB2 H 3.92 0.02 2 443 50 50 SER HB3 H 3.99 0.02 2 444 50 50 SER C C 174.2 0.3 1 445 50 50 SER CA C 59.6 0.3 1 446 50 50 SER CB C 63.2 0.3 1 447 50 50 SER N N 114.8 0.3 1 448 51 51 ALA H H 8.52 0.02 1 449 51 51 ALA HA H 4.64 0.02 1 450 51 51 ALA HB H 1.23 0.02 1 451 51 51 ALA C C 177.8 0.3 1 452 51 51 ALA CA C 52.0 0.3 1 453 51 51 ALA CB C 20.1 0.3 1 454 51 51 ALA N N 127.8 0.3 1 455 52 52 VAL H H 9.25 0.02 1 456 52 52 VAL HA H 4.38 0.02 1 457 52 52 VAL HB H 1.93 0.02 1 458 52 52 VAL HG1 H 1.08 0.02 1 459 52 52 VAL HG2 H 1.05 0.02 1 460 52 52 VAL C C 176.1 0.3 1 461 52 52 VAL CA C 61.2 0.3 1 462 52 52 VAL CB C 34.8 0.3 1 463 52 52 VAL CG1 C 20.9 0.3 1 464 52 52 VAL CG2 C 20.9 0.3 1 465 52 52 VAL N N 122.2 0.3 1 466 53 53 GLY H H 8.73 0.02 1 467 53 53 GLY HA2 H 4.89 0.02 2 468 53 53 GLY HA3 H 3.76 0.02 2 469 53 53 GLY C C 173.7 0.3 1 470 53 53 GLY CA C 45.4 0.3 1 471 53 53 GLY N N 112.4 0.3 1 472 54 54 PHE H H 8.50 0.02 1 473 54 54 PHE HA H 4.83 0.02 1 474 54 54 PHE HZ H 6.64 0.02 1 475 54 54 PHE C C 171.3 0.3 1 476 54 54 PHE CA C 56.9 0.3 1 477 54 54 PHE CB C 41.6 0.3 1 478 54 54 PHE CD1 C 132.7 0.3 1 479 54 54 PHE CE1 C 130.6 0.3 1 480 54 54 PHE CZ C 128.8 0.3 1 481 54 54 PHE N N 118.3 0.3 1 482 55 55 ASN H H 9.24 0.02 1 483 55 55 ASN HA H 5.64 0.02 1 484 55 55 ASN HB2 H 2.29 0.02 2 485 55 55 ASN HB3 H 2.54 0.02 2 486 55 55 ASN HD21 H 7.48 0.02 1 487 55 55 ASN HD22 H 6.74 0.02 1 488 55 55 ASN C C 175.2 0.3 1 489 55 55 ASN CA C 51.8 0.3 1 490 55 55 ASN CB C 43.0 0.3 1 491 55 55 ASN N N 117.1 0.3 1 492 55 55 ASN ND2 N 113.9 0.3 1 493 56 56 ILE H H 8.78 0.02 1 494 56 56 ILE HA H 4.15 0.02 1 495 56 56 ILE HB H 1.71 0.02 1 496 56 56 ILE HD1 H -0.13 0.02 1 497 56 56 ILE HG12 H 1.21 0.02 2 498 56 56 ILE HG13 H 0.77 0.02 2 499 56 56 ILE HG2 H 0.61 0.02 1 500 56 56 ILE C C 173.7 0.3 1 501 56 56 ILE CA C 60.8 0.3 1 502 56 56 ILE CB C 40.0 0.3 1 503 56 56 ILE CD1 C 11.8 0.3 1 504 56 56 ILE CG1 C 28.2 0.3 1 505 56 56 ILE CG2 C 17.0 0.3 1 506 56 56 ILE N N 119.9 0.3 1 507 57 57 GLN H H 8.84 0.02 1 508 57 57 GLN HA H 4.97 0.02 1 509 57 57 GLN HB2 H 1.89 0.02 2 510 57 57 GLN HB3 H 1.98 0.02 2 511 57 57 GLN HE21 H 8.39 0.02 1 512 57 57 GLN HE22 H 6.79 0.02 1 513 57 57 GLN C C 173.1 0.3 1 514 57 57 GLN CA C 54.9 0.3 1 515 57 57 GLN CB C 31.3 0.3 1 516 57 57 GLN CG C 34.6 0.3 1 517 57 57 GLN N N 128.7 0.3 1 518 57 57 GLN NE2 N 115.9 0.3 1 519 58 58 LEU H H 9.09 0.02 1 520 58 58 LEU HA H 5.01 0.02 1 521 58 58 LEU HB2 H 1.81 0.02 2 522 58 58 LEU HB3 H 1.40 0.02 2 523 58 58 LEU HD1 H 0.88 0.02 1 524 58 58 LEU HD2 H 0.85 0.02 1 525 58 58 LEU HG H 1.63 0.02 1 526 58 58 LEU C C 174.7 0.3 1 527 58 58 LEU CA C 52.6 0.3 1 528 58 58 LEU CB C 43.8 0.3 1 529 58 58 LEU CD1 C 25.8 0.3 1 530 58 58 LEU CD2 C 23.4 0.3 1 531 58 58 LEU CG C 27.1 0.3 1 532 58 58 LEU N N 126.8 0.3 1 533 59 59 ASN H H 9.67 0.02 1 534 59 59 ASN HA H 5.13 0.02 1 535 59 59 ASN HB2 H 2.83 0.02 2 536 59 59 ASN HB3 H 2.62 0.02 2 537 59 59 ASN HD21 H 8.76 0.02 1 538 59 59 ASN HD22 H 7.50 0.02 1 539 59 59 ASN C C 175.7 0.3 1 540 59 59 ASN CA C 51.2 0.3 1 541 59 59 ASN CB C 41.5 0.3 1 542 59 59 ASN N N 119.3 0.3 1 543 59 59 ASN ND2 N 113.5 0.3 1 544 60 60 ASP H H 9.44 0.02 1 545 60 60 ASP HA H 4.24 0.02 1 546 60 60 ASP HB2 H 2.90 0.02 2 547 60 60 ASP HB3 H 2.65 0.02 2 548 60 60 ASP C C 176.0 0.3 1 549 60 60 ASP CA C 55.2 0.3 1 550 60 60 ASP CB C 39.1 0.3 1 551 60 60 ASP N N 115.2 0.3 1 552 61 61 CYS H H 8.69 0.02 1 553 61 61 CYS HA H 5.24 0.02 1 554 61 61 CYS HB2 H 2.40 0.02 2 555 61 61 CYS HB3 H 3.39 0.02 2 556 61 61 CYS CA C 56.8 0.3 1 557 61 61 CYS CB C 41.8 0.3 1 558 61 61 CYS N N 114.6 0.3 1 559 62 62 ASP H H 8.28 0.02 1 560 62 62 ASP HA H 5.04 0.02 1 561 62 62 ASP HB2 H 2.98 0.02 2 562 62 62 ASP HB3 H 2.59 0.02 2 563 62 62 ASP C C 178.2 0.3 1 564 62 62 ASP CA C 52.3 0.3 1 565 62 62 ASP CB C 42.0 0.3 1 566 62 62 ASP N N 122.3 0.3 1 567 63 63 THR H H 8.62 0.02 1 568 63 63 THR HA H 4.87 0.02 1 569 63 63 THR HB H 4.38 0.02 1 570 63 63 THR HG2 H 0.98 0.02 1 571 63 63 THR C C 176.5 0.3 1 572 63 63 THR CA C 63.1 0.3 1 573 63 63 THR CB C 68.5 0.3 1 574 63 63 THR CG2 C 21.7 0.3 1 575 63 63 THR N N 115.5 0.3 1 576 64 64 ASN H H 8.80 0.02 1 577 64 64 ASN HA H 4.58 0.02 1 578 64 64 ASN HB2 H 2.72 0.02 2 579 64 64 ASN HB3 H 2.94 0.02 2 580 64 64 ASN HD21 H 8.08 0.02 1 581 64 64 ASN HD22 H 6.95 0.02 1 582 64 64 ASN C C 176.8 0.3 1 583 64 64 ASN CA C 55.1 0.3 1 584 64 64 ASN CB C 38.3 0.3 1 585 64 64 ASN N N 119.1 0.3 1 586 64 64 ASN ND2 N 115.7 0.3 1 587 65 65 VAL H H 7.78 0.02 1 588 65 65 VAL HA H 3.80 0.02 1 589 65 65 VAL HB H 2.08 0.02 1 590 65 65 VAL HG1 H 0.78 0.02 1 591 65 65 VAL HG2 H 0.86 0.02 1 592 65 65 VAL C C 175.9 0.3 1 593 65 65 VAL CA C 64.4 0.3 1 594 65 65 VAL CB C 32.5 0.3 1 595 65 65 VAL CG1 C 21.3 0.3 1 596 65 65 VAL CG2 C 21.7 0.3 1 597 65 65 VAL N N 120.8 0.3 1 598 66 66 ALA H H 7.40 0.02 1 599 66 66 ALA HA H 4.27 0.02 1 600 66 66 ALA HB H 1.33 0.02 1 601 66 66 ALA C C 173.8 0.3 1 602 66 66 ALA CA C 52.4 0.3 1 603 66 66 ALA CB C 23.4 0.3 1 604 66 66 ALA N N 118.1 0.3 1 605 67 67 SER H H 8.07 0.02 1 606 67 67 SER HA H 4.72 0.02 1 607 67 67 SER HB2 H 4.07 0.02 2 608 67 67 SER HB3 H 3.87 0.02 2 609 67 67 SER C C 175.1 0.3 1 610 67 67 SER CA C 57.8 0.3 1 611 67 67 SER CB C 65.2 0.3 1 612 67 67 SER N N 109.7 0.3 1 613 68 68 LYS H H 8.14 0.02 1 614 68 68 LYS HA H 5.45 0.02 1 615 68 68 LYS HB2 H 1.53 0.02 2 616 68 68 LYS HB3 H 1.60 0.02 2 617 68 68 LYS HD2 H 1.40 0.02 2 618 68 68 LYS HD3 H 1.54 0.02 2 619 68 68 LYS C C 174.6 0.3 1 620 68 68 LYS CA C 54.9 0.3 1 621 68 68 LYS CB C 38.0 0.3 1 622 68 68 LYS CD C 29.5 0.3 1 623 68 68 LYS CE C 42.1 0.3 1 624 68 68 LYS CG C 24.8 0.3 1 625 68 68 LYS N N 121.3 0.3 1 626 69 69 ALA H H 8.56 0.02 1 627 69 69 ALA HA H 5.63 0.02 1 628 69 69 ALA HB H 1.09 0.02 1 629 69 69 ALA C C 175.3 0.3 1 630 69 69 ALA CA C 50.0 0.3 1 631 69 69 ALA CB C 24.5 0.3 1 632 69 69 ALA N N 120.4 0.3 1 633 70 70 ALA H H 8.66 0.02 1 634 70 70 ALA HA H 4.66 0.02 1 635 70 70 ALA HB H 1.49 0.02 1 636 70 70 ALA C C 175.0 0.3 1 637 70 70 ALA CA C 51.4 0.3 1 638 70 70 ALA CB C 23.8 0.3 1 639 70 70 ALA N N 121.8 0.3 1 640 71 71 VAL H H 8.73 0.02 1 641 71 71 VAL HA H 5.23 0.02 1 642 71 71 VAL HB H 1.85 0.02 1 643 71 71 VAL HG1 H 0.17 0.02 1 644 71 71 VAL HG2 H 0.86 0.02 1 645 71 71 VAL C C 174.2 0.3 1 646 71 71 VAL CA C 61.2 0.3 1 647 71 71 VAL CB C 36.1 0.3 1 648 71 71 VAL CG1 C 22.6 0.3 1 649 71 71 VAL CG2 C 22.0 0.3 1 650 71 71 VAL N N 119.2 0.3 1 651 72 72 ALA H H 8.20 0.02 1 652 72 72 ALA HA H 4.68 0.02 1 653 72 72 ALA HB H -0.16 0.02 1 654 72 72 ALA C C 176.5 0.3 1 655 72 72 ALA CA C 50.2 0.3 1 656 72 72 ALA CB C 21.0 0.3 1 657 72 72 ALA N N 127.9 0.3 1 658 73 73 PHE H H 9.70 0.02 1 659 73 73 PHE HA H 5.27 0.02 1 660 73 73 PHE HB2 H 2.73 0.02 2 661 73 73 PHE HB3 H 2.63 0.02 2 662 73 73 PHE HZ H 5.69 0.02 1 663 73 73 PHE C C 174.5 0.3 1 664 73 73 PHE CA C 57.4 0.3 1 665 73 73 PHE CB C 42.8 0.3 1 666 73 73 PHE CD1 C 132.0 0.3 1 667 73 73 PHE CE1 C 130.6 0.3 1 668 73 73 PHE CZ C 128.5 0.3 1 669 73 73 PHE N N 121.6 0.3 1 670 74 74 LEU H H 9.18 0.02 1 671 74 74 LEU HA H 4.67 0.02 1 672 74 74 LEU HB2 H 1.77 0.02 2 673 74 74 LEU HB3 H 1.06 0.02 2 674 74 74 LEU HD1 H 0.76 0.02 1 675 74 74 LEU HD2 H 0.81 0.02 1 676 74 74 LEU HG H 1.30 0.02 1 677 74 74 LEU C C 175.8 0.3 1 678 74 74 LEU CA C 53.6 0.3 1 679 74 74 LEU CB C 45.4 0.3 1 680 74 74 LEU CD1 C 26.1 0.3 1 681 74 74 LEU CD2 C 23.4 0.3 1 682 74 74 LEU CG C 27.6 0.3 1 683 74 74 LEU N N 122.1 0.3 1 684 75 75 GLY H H 8.46 0.02 1 685 75 75 GLY HA2 H 3.96 0.02 2 686 75 75 GLY HA3 H 4.38 0.02 2 687 75 75 GLY C C 171.1 0.3 1 688 75 75 GLY CA C 44.9 0.3 1 689 75 75 GLY N N 111.4 0.3 1 690 76 76 THR H H 8.45 0.02 1 691 76 76 THR HA H 4.23 0.02 1 692 76 76 THR HB H 4.01 0.02 1 693 76 76 THR HG2 H 1.28 0.02 1 694 76 76 THR C C 173.5 0.3 1 695 76 76 THR CA C 62.6 0.3 1 696 76 76 THR CB C 69.8 0.3 1 697 76 76 THR CG2 C 21.9 0.3 1 698 76 76 THR N N 118.3 0.3 1 699 77 77 ALA H H 8.74 0.02 1 700 77 77 ALA HA H 4.86 0.02 1 701 77 77 ALA HB H 1.49 0.02 1 702 77 77 ALA C C 179.7 0.3 1 703 77 77 ALA CA C 51.7 0.3 1 704 77 77 ALA CB C 19.6 0.3 1 705 77 77 ALA N N 130.8 0.3 1 706 78 78 ILE H H 9.00 0.02 1 707 78 78 ILE HA H 3.82 0.02 1 708 78 78 ILE HB H 1.39 0.02 1 709 78 78 ILE HD1 H 0.67 0.02 1 710 78 78 ILE HG12 H 1.17 0.02 2 711 78 78 ILE HG13 H 1.65 0.02 2 712 78 78 ILE HG2 H 1.00 0.02 1 713 78 78 ILE C C 173.9 0.3 1 714 78 78 ILE CA C 65.5 0.3 1 715 78 78 ILE CB C 39.2 0.3 1 716 78 78 ILE CD1 C 14.7 0.3 1 717 78 78 ILE CG1 C 29.5 0.3 1 718 78 78 ILE CG2 C 17.3 0.3 1 719 78 78 ILE N N 122.6 0.3 1 720 79 79 ASP H H 7.36 0.02 1 721 79 79 ASP HA H 4.45 0.02 1 722 79 79 ASP HB2 H 3.02 0.02 2 723 79 79 ASP HB3 H 3.23 0.02 2 724 79 79 ASP C C 175.7 0.3 1 725 79 79 ASP CA C 53.9 0.3 1 726 79 79 ASP CB C 41.8 0.3 1 727 79 79 ASP N N 113.6 0.3 1 728 80 80 ALA H H 8.51 0.02 1 729 80 80 ALA HA H 4.10 0.02 1 730 80 80 ALA HB H 1.41 0.02 1 731 80 80 ALA C C 178.6 0.3 1 732 80 80 ALA CA C 54.2 0.3 1 733 80 80 ALA CB C 18.6 0.3 1 734 80 80 ALA N N 118.7 0.3 1 735 81 81 GLY H H 8.44 0.02 1 736 81 81 GLY HA2 H 3.49 0.02 2 737 81 81 GLY HA3 H 4.12 0.02 2 738 81 81 GLY C C 174.1 0.3 1 739 81 81 GLY CA C 44.8 0.3 1 740 81 81 GLY N N 104.4 0.3 1 741 82 82 HIS H H 7.83 0.02 1 742 82 82 HIS HA H 4.92 0.02 1 743 82 82 HIS HB2 H 2.76 0.02 2 744 82 82 HIS HB3 H 2.94 0.02 2 745 82 82 HIS HD2 H 7.26 0.02 1 746 82 82 HIS HE1 H 8.71 0.02 1 747 82 82 HIS C C 174.6 0.3 1 748 82 82 HIS CA C 54.7 0.3 1 749 82 82 HIS CB C 28.1 0.3 1 750 82 82 HIS CD2 C 119.7 0.3 1 751 82 82 HIS CE1 C 136.1 0.3 1 752 82 82 HIS N N 120.4 0.3 1 753 83 83 THR H H 8.22 0.02 1 754 83 83 THR HA H 4.09 0.02 1 755 83 83 THR HB H 4.48 0.02 1 756 83 83 THR HG2 H 1.26 0.02 1 757 83 83 THR C C 174.3 0.3 1 758 83 83 THR CA C 63.6 0.3 1 759 83 83 THR CB C 68.5 0.3 1 760 83 83 THR CG2 C 22.6 0.3 1 761 83 83 THR N N 109.8 0.3 1 762 84 84 ASN H H 7.49 0.02 1 763 84 84 ASN HA H 4.81 0.02 1 764 84 84 ASN HB2 H 2.44 0.02 2 765 84 84 ASN HB3 H 2.97 0.02 2 766 84 84 ASN HD21 H 7.30 0.02 1 767 84 84 ASN HD22 H 6.70 0.02 1 768 84 84 ASN C C 174.1 0.3 1 769 84 84 ASN CA C 51.1 0.3 1 770 84 84 ASN CB C 38.1 0.3 1 771 84 84 ASN N N 115.8 0.3 1 772 84 84 ASN ND2 N 110.9 0.3 1 773 85 85 VAL H H 7.30 0.02 1 774 85 85 VAL HA H 4.09 0.02 1 775 85 85 VAL HB H 1.94 0.02 1 776 85 85 VAL HG1 H 0.24 0.02 1 777 85 85 VAL HG2 H 0.66 0.02 1 778 85 85 VAL C C 173.7 0.3 1 779 85 85 VAL CA C 61.6 0.3 1 780 85 85 VAL CB C 33.6 0.3 1 781 85 85 VAL CG1 C 21.4 0.3 1 782 85 85 VAL CG2 C 22.4 0.3 1 783 85 85 VAL N N 120.2 0.3 1 784 86 86 LEU H H 9.85 0.02 1 785 86 86 LEU HA H 4.22 0.02 1 786 86 86 LEU HB2 H 1.72 0.02 2 787 86 86 LEU HB3 H 1.39 0.02 2 788 86 86 LEU HD1 H 0.83 0.02 1 789 86 86 LEU HD2 H 0.86 0.02 1 790 86 86 LEU HG H 1.81 0.02 1 791 86 86 LEU C C 176.8 0.3 1 792 86 86 LEU CA C 55.0 0.3 1 793 86 86 LEU CB C 44.2 0.3 1 794 86 86 LEU CD1 C 26.7 0.3 1 795 86 86 LEU CD2 C 24.8 0.3 1 796 86 86 LEU CG C 25.9 0.3 1 797 86 86 LEU N N 130.7 0.3 1 798 87 87 ALA H H 8.67 0.02 1 799 87 87 ALA HA H 4.11 0.02 1 800 87 87 ALA HB H 1.26 0.02 1 801 87 87 ALA C C 177.0 0.3 1 802 87 87 ALA CA C 51.5 0.3 1 803 87 87 ALA CB C 20.0 0.3 1 804 87 87 ALA N N 123.6 0.3 1 805 88 88 LEU H H 8.59 0.02 1 806 88 88 LEU HA H 4.78 0.02 1 807 88 88 LEU HB2 H 1.81 0.02 2 808 88 88 LEU HB3 H 1.89 0.02 2 809 88 88 LEU HD1 H 0.93 0.02 1 810 88 88 LEU HD2 H 0.65 0.02 1 811 88 88 LEU HG H 2.22 0.02 1 812 88 88 LEU C C 179.4 0.3 1 813 88 88 LEU CA C 53.5 0.3 1 814 88 88 LEU CB C 41.6 0.3 1 815 88 88 LEU CD1 C 27.0 0.3 1 816 88 88 LEU CD2 C 21.5 0.3 1 817 88 88 LEU CG C 26.1 0.3 1 818 88 88 LEU N N 116.8 0.3 1 819 89 89 GLN H H 9.05 0.02 1 820 89 89 GLN HA H 4.34 0.02 1 821 89 89 GLN HB2 H 2.13 0.02 2 822 89 89 GLN HB3 H 1.97 0.02 2 823 89 89 GLN HE21 H 7.99 0.02 1 824 89 89 GLN HE22 H 6.69 0.02 1 825 89 89 GLN C C 177.2 0.3 1 826 89 89 GLN CA C 55.8 0.3 1 827 89 89 GLN CB C 29.9 0.3 1 828 89 89 GLN CG C 33.7 0.3 1 829 89 89 GLN N N 120.9 0.3 1 830 89 89 GLN NE2 N 112.4 0.3 1 831 90 90 SER H H 8.66 0.02 1 832 90 90 SER HA H 4.52 0.02 1 833 90 90 SER HB2 H 3.88 0.02 2 834 90 90 SER HB3 H 3.92 0.02 2 835 90 90 SER C C 174.1 0.3 1 836 90 90 SER CA C 58.4 0.3 1 837 90 90 SER CB C 63.8 0.3 1 838 90 90 SER N N 118.6 0.3 1 839 91 91 SER H H 8.36 0.02 1 840 91 91 SER HA H 4.64 0.02 1 841 91 91 SER HB2 H 3.93 0.02 2 842 91 91 SER HB3 H 3.73 0.02 2 843 91 91 SER C C 175.1 0.3 1 844 91 91 SER CA C 57.7 0.3 1 845 91 91 SER CB C 64.9 0.3 1 846 91 91 SER N N 117.1 0.3 1 847 92 92 ALA H H 8.72 0.02 1 848 92 92 ALA HA H 4.23 0.02 1 849 92 92 ALA HB H 1.43 0.02 1 850 92 92 ALA C C 178.4 0.3 1 851 92 92 ALA CA C 54.0 0.3 1 852 92 92 ALA CB C 18.7 0.3 1 853 92 92 ALA N N 127.6 0.3 1 854 93 93 ALA H H 8.18 0.02 1 855 93 93 ALA HA H 4.34 0.02 1 856 93 93 ALA HB H 1.40 0.02 1 857 93 93 ALA C C 178.0 0.3 1 858 93 93 ALA CA C 52.7 0.3 1 859 93 93 ALA CB C 19.1 0.3 1 860 93 93 ALA N N 119.8 0.3 1 861 94 94 GLY H H 7.88 0.02 1 862 94 94 GLY HA2 H 4.37 0.02 2 863 94 94 GLY HA3 H 3.78 0.02 2 864 94 94 GLY C C 174.4 0.3 1 865 94 94 GLY CA C 45.2 0.3 1 866 94 94 GLY N N 107.9 0.3 1 867 95 95 SER H H 8.51 0.02 1 868 95 95 SER HA H 5.06 0.02 1 869 95 95 SER HB2 H 3.99 0.02 2 870 95 95 SER HB3 H 3.92 0.02 2 871 95 95 SER C C 174.4 0.3 1 872 95 95 SER CA C 58.0 0.3 1 873 95 95 SER CB C 65.1 0.3 1 874 95 95 SER N N 119.3 0.3 1 875 96 96 ALA H H 8.34 0.02 1 876 96 96 ALA HA H 3.83 0.02 1 877 96 96 ALA HB H 1.05 0.02 1 878 96 96 ALA C C 176.8 0.3 1 879 96 96 ALA CA C 53.2 0.3 1 880 96 96 ALA CB C 19.7 0.3 1 881 96 96 ALA N N 126.0 0.3 1 882 97 97 THR H H 7.15 0.02 1 883 97 97 THR HA H 4.76 0.02 1 884 97 97 THR HB H 4.11 0.02 1 885 97 97 THR HG2 H 1.10 0.02 1 886 97 97 THR C C 173.1 0.3 1 887 97 97 THR CA C 60.3 0.3 1 888 97 97 THR CB C 71.6 0.3 1 889 97 97 THR CG2 C 21.6 0.3 1 890 97 97 THR N N 109.6 0.3 1 891 98 98 ASN H H 8.92 0.02 1 892 98 98 ASN HA H 4.03 0.02 1 893 98 98 ASN HB2 H 2.82 0.02 2 894 98 98 ASN HB3 H 2.45 0.02 2 895 98 98 ASN HD21 H 7.05 0.02 1 896 98 98 ASN HD22 H 6.75 0.02 1 897 98 98 ASN C C 173.6 0.3 1 898 98 98 ASN CA C 53.8 0.3 1 899 98 98 ASN CB C 35.5 0.3 1 900 98 98 ASN N N 112.3 0.3 1 901 98 98 ASN ND2 N 111.9 0.3 1 902 99 99 VAL H H 7.17 0.02 1 903 99 99 VAL HA H 4.92 0.02 1 904 99 99 VAL HB H 1.75 0.02 1 905 99 99 VAL HG1 H 0.53 0.02 1 906 99 99 VAL HG2 H 0.78 0.02 1 907 99 99 VAL C C 172.4 0.3 1 908 99 99 VAL CA C 60.1 0.3 1 909 99 99 VAL CB C 34.8 0.3 1 910 99 99 VAL CG1 C 21.1 0.3 1 911 99 99 VAL CG2 C 23.4 0.3 1 912 99 99 VAL N N 112.0 0.3 1 913 100 100 GLY H H 8.48 0.02 1 914 100 100 GLY HA2 H 3.96 0.02 2 915 100 100 GLY HA3 H 4.53 0.02 2 916 100 100 GLY C C 172.6 0.3 1 917 100 100 GLY CA C 45.0 0.3 1 918 100 100 GLY N N 112.1 0.3 1 919 101 101 VAL H H 8.03 0.02 1 920 101 101 VAL HA H 4.68 0.02 1 921 101 101 VAL HB H 1.35 0.02 1 922 101 101 VAL HG1 H 0.47 0.02 1 923 101 101 VAL HG2 H -0.25 0.02 1 924 101 101 VAL C C 174.5 0.3 1 925 101 101 VAL CA C 61.3 0.3 1 926 101 101 VAL CB C 34.9 0.3 1 927 101 101 VAL CG1 C 22.6 0.3 1 928 101 101 VAL CG2 C 20.0 0.3 1 929 101 101 VAL N N 120.0 0.3 1 930 102 102 GLN H H 9.15 0.02 1 931 102 102 GLN HA H 4.70 0.02 1 932 102 102 GLN HB2 H 1.61 0.02 2 933 102 102 GLN HB3 H 1.74 0.02 2 934 102 102 GLN HE21 H 6.75 0.02 1 935 102 102 GLN HE22 H 5.52 0.02 1 936 102 102 GLN HG2 H 2.09 0.02 2 937 102 102 GLN HG3 H 2.31 0.02 2 938 102 102 GLN C C 173.6 0.3 1 939 102 102 GLN CA C 54.1 0.3 1 940 102 102 GLN CB C 34.2 0.3 1 941 102 102 GLN CG C 35.0 0.3 1 942 102 102 GLN N N 124.5 0.3 1 943 102 102 GLN NE2 N 111.7 0.3 1 944 103 103 ILE H H 9.56 0.02 1 945 103 103 ILE HA H 4.44 0.02 1 946 103 103 ILE HB H 1.12 0.02 1 947 103 103 ILE HD1 H 0.05 0.02 1 948 103 103 ILE HG12 H 1.11 0.02 2 949 103 103 ILE HG13 H 0.27 0.02 2 950 103 103 ILE HG2 H 0.26 0.02 1 951 103 103 ILE C C 174.0 0.3 1 952 103 103 ILE CA C 60.8 0.3 1 953 103 103 ILE CB C 39.6 0.3 1 954 103 103 ILE CD1 C 13.8 0.3 1 955 103 103 ILE CG1 C 27.4 0.3 1 956 103 103 ILE CG2 C 18.0 0.3 1 957 103 103 ILE N N 123.6 0.3 1 958 104 104 LEU H H 9.38 0.02 1 959 104 104 LEU HA H 5.32 0.02 1 960 104 104 LEU HB2 H 1.24 0.02 2 961 104 104 LEU HB3 H 1.43 0.02 2 962 104 104 LEU HD1 H 0.52 0.02 1 963 104 104 LEU HD2 H 0.61 0.02 1 964 104 104 LEU HG H 1.27 0.02 1 965 104 104 LEU C C 177.7 0.3 1 966 104 104 LEU CA C 52.5 0.3 1 967 104 104 LEU CB C 43.9 0.3 1 968 104 104 LEU CD1 C 23.3 0.3 1 969 104 104 LEU CD2 C 24.6 0.3 1 970 104 104 LEU CG C 27.8 0.3 1 971 104 104 LEU N N 125.0 0.3 1 972 105 105 ASP H H 8.20 0.02 1 973 105 105 ASP HA H 4.96 0.02 1 974 105 105 ASP HB2 H 2.90 0.02 2 975 105 105 ASP HB3 H 3.45 0.02 2 976 105 105 ASP C C 179.0 0.3 1 977 105 105 ASP CA C 52.0 0.3 1 978 105 105 ASP CB C 42.7 0.3 1 979 105 105 ASP N N 117.9 0.3 1 980 106 106 ARG H H 8.68 0.02 1 981 106 106 ARG HA H 4.04 0.02 1 982 106 106 ARG HB2 H 1.67 0.02 2 983 106 106 ARG HB3 H 1.86 0.02 2 984 106 106 ARG HE H 7.07 0.02 1 985 106 106 ARG HG2 H 1.39 0.02 2 986 106 106 ARG HG3 H 1.58 0.02 2 987 106 106 ARG C C 177.0 0.3 1 988 106 106 ARG CA C 58.3 0.3 1 989 106 106 ARG CB C 29.3 0.3 1 990 106 106 ARG CD C 43.7 0.3 1 991 106 106 ARG CG C 26.1 0.3 1 992 106 106 ARG N N 117.5 0.3 1 993 106 106 ARG NE N 114.4 0.3 1 994 107 107 THR H H 8.18 0.02 1 995 107 107 THR HA H 4.38 0.02 1 996 107 107 THR HB H 4.42 0.02 1 997 107 107 THR HG2 H 1.24 0.02 1 998 107 107 THR C C 175.8 0.3 1 999 107 107 THR CA C 62.1 0.3 1 1000 107 107 THR CB C 70.2 0.3 1 1001 107 107 THR CG2 C 22.1 0.3 1 1002 107 107 THR N N 111.0 0.3 1 1003 108 108 GLY H H 8.25 0.02 1 1004 108 108 GLY HA2 H 3.46 0.02 2 1005 108 108 GLY HA3 H 4.31 0.02 2 1006 108 108 GLY C C 172.6 0.3 1 1007 108 108 GLY CA C 45.0 0.3 1 1008 108 108 GLY N N 109.9 0.3 1 1009 109 109 ALA H H 7.38 0.02 1 1010 109 109 ALA HA H 4.28 0.02 1 1011 109 109 ALA HB H 1.26 0.02 1 1012 109 109 ALA C C 176.3 0.3 1 1013 109 109 ALA CA C 51.5 0.3 1 1014 109 109 ALA CB C 19.8 0.3 1 1015 109 109 ALA N N 123.7 0.3 1 1016 110 110 ALA H H 8.24 0.02 1 1017 110 110 ALA HA H 4.71 0.02 1 1018 110 110 ALA HB H 1.12 0.02 1 1019 110 110 ALA C C 178.5 0.3 1 1020 110 110 ALA CA C 51.5 0.3 1 1021 110 110 ALA CB C 18.8 0.3 1 1022 110 110 ALA N N 123.4 0.3 1 1023 111 111 LEU H H 8.88 0.02 1 1024 111 111 LEU HA H 4.48 0.02 1 1025 111 111 LEU HB2 H 1.55 0.02 2 1026 111 111 LEU HB3 H 1.80 0.02 2 1027 111 111 LEU HD1 H 1.11 0.02 1 1028 111 111 LEU HD2 H 0.94 0.02 1 1029 111 111 LEU HG H 1.91 0.02 1 1030 111 111 LEU C C 176.9 0.3 1 1031 111 111 LEU CA C 54.5 0.3 1 1032 111 111 LEU CB C 42.4 0.3 1 1033 111 111 LEU CD1 C 26.8 0.3 1 1034 111 111 LEU CD2 C 23.0 0.3 1 1035 111 111 LEU CG C 27.0 0.3 1 1036 111 111 LEU N N 125.9 0.3 1 1037 112 112 THR H H 7.98 0.02 1 1038 112 112 THR HA H 3.94 0.02 1 1039 112 112 THR HB H 4.21 0.02 1 1040 112 112 THR HG2 H 1.25 0.02 1 1041 112 112 THR C C 174.7 0.3 1 1042 112 112 THR CA C 63.6 0.3 1 1043 112 112 THR CB C 69.1 0.3 1 1044 112 112 THR CG2 C 22.8 0.3 1 1045 112 112 THR N N 114.3 0.3 1 1046 113 113 LEU H H 7.46 0.02 1 1047 113 113 LEU HA H 4.86 0.02 1 1048 113 113 LEU HB2 H 1.72 0.02 2 1049 113 113 LEU HB3 H 1.48 0.02 2 1050 113 113 LEU HD1 H 0.65 0.02 1 1051 113 113 LEU HD2 H 0.65 0.02 1 1052 113 113 LEU HG H 1.71 0.02 1 1053 113 113 LEU C C 177.0 0.3 1 1054 113 113 LEU CA C 54.7 0.3 1 1055 113 113 LEU CB C 42.1 0.3 1 1056 113 113 LEU CD1 C 22.8 0.3 1 1057 113 113 LEU CD2 C 25.8 0.3 1 1058 113 113 LEU CG C 26.5 0.3 1 1059 113 113 LEU N N 124.6 0.3 1 1060 114 114 ASP H H 7.68 0.02 1 1061 114 114 ASP HA H 4.64 0.02 1 1062 114 114 ASP HB2 H 2.64 0.02 2 1063 114 114 ASP HB3 H 3.05 0.02 2 1064 114 114 ASP C C 178.1 0.3 1 1065 114 114 ASP CA C 53.6 0.3 1 1066 114 114 ASP CB C 41.4 0.3 1 1067 114 114 ASP N N 116.1 0.3 1 1068 115 115 GLY H H 8.73 0.02 1 1069 115 115 GLY HA2 H 3.92 0.02 2 1070 115 115 GLY HA3 H 3.19 0.02 2 1071 115 115 GLY C C 172.4 0.3 1 1072 115 115 GLY CA C 46.5 0.3 1 1073 115 115 GLY N N 110.2 0.3 1 1074 116 116 ALA H H 7.93 0.02 1 1075 116 116 ALA HA H 4.38 0.02 1 1076 116 116 ALA HB H 1.27 0.02 1 1077 116 116 ALA C C 176.1 0.3 1 1078 116 116 ALA CA C 51.3 0.3 1 1079 116 116 ALA CB C 20.7 0.3 1 1080 116 116 ALA N N 120.9 0.3 1 1081 117 117 THR H H 7.72 0.02 1 1082 117 117 THR HA H 4.40 0.02 1 1083 117 117 THR HB H 4.14 0.02 1 1084 117 117 THR HG2 H 1.25 0.02 1 1085 117 117 THR C C 173.7 0.3 1 1086 117 117 THR CA C 62.0 0.3 1 1087 117 117 THR CB C 68.4 0.3 1 1088 117 117 THR CG2 C 21.4 0.3 1 1089 117 117 THR N N 118.2 0.3 1 1090 118 118 PHE H H 8.88 0.02 1 1091 118 118 PHE HA H 4.28 0.02 1 1092 118 118 PHE C C 176.4 0.3 1 1093 118 118 PHE CA C 59.0 0.3 1 1094 118 118 PHE CB C 40.3 0.3 1 1095 118 118 PHE N N 126.4 0.3 1 1096 119 119 SER H H 9.24 0.02 1 1097 119 119 SER HA H 4.57 0.02 1 1098 119 119 SER HB2 H 4.37 0.02 2 1099 119 119 SER HB3 H 4.64 0.02 2 1100 119 119 SER C C 172.7 0.3 1 1101 119 119 SER CA C 58.1 0.3 1 1102 119 119 SER CB C 66.4 0.3 1 1103 119 119 SER N N 116.9 0.3 1 1104 120 120 SER H H 9.03 0.02 1 1105 120 120 SER HA H 4.22 0.02 1 1106 120 120 SER HB2 H 3.89 0.02 2 1107 120 120 SER HB3 H 3.95 0.02 2 1108 120 120 SER C C 175.8 0.3 1 1109 120 120 SER CA C 59.5 0.3 1 1110 120 120 SER CB C 62.8 0.3 1 1111 120 120 SER N N 113.5 0.3 1 1112 121 121 GLU H H 8.89 0.02 1 1113 121 121 GLU HA H 4.44 0.02 1 1114 121 121 GLU HB2 H 1.94 0.02 2 1115 121 121 GLU HB3 H 1.88 0.02 2 1116 121 121 GLU HG2 H 2.17 0.02 2 1117 121 121 GLU HG3 H 2.22 0.02 2 1118 121 121 GLU C C 177.3 0.3 1 1119 121 121 GLU CA C 57.4 0.3 1 1120 121 121 GLU CB C 30.6 0.3 1 1121 121 121 GLU CG C 36.5 0.3 1 1122 121 121 GLU N N 123.7 0.3 1 1123 122 122 THR H H 9.37 0.02 1 1124 122 122 THR HA H 4.53 0.02 1 1125 122 122 THR HB H 3.81 0.02 1 1126 122 122 THR HG2 H 1.13 0.02 1 1127 122 122 THR C C 173.9 0.3 1 1128 122 122 THR CA C 62.5 0.3 1 1129 122 122 THR CB C 72.0 0.3 1 1130 122 122 THR CG2 C 20.9 0.3 1 1131 122 122 THR N N 122.6 0.3 1 1132 123 123 THR H H 8.93 0.02 1 1133 123 123 THR HA H 4.40 0.02 1 1134 123 123 THR HB H 4.09 0.02 1 1135 123 123 THR HG2 H 1.26 0.02 1 1136 123 123 THR C C 173.9 0.3 1 1137 123 123 THR CA C 63.5 0.3 1 1138 123 123 THR CB C 68.7 0.3 1 1139 123 123 THR CG2 C 22.1 0.3 1 1140 123 123 THR N N 124.9 0.3 1 1141 124 124 LEU H H 8.36 0.02 1 1142 124 124 LEU HA H 4.24 0.02 1 1143 124 124 LEU HB2 H 1.07 0.02 2 1144 124 124 LEU HB3 H 1.41 0.02 2 1145 124 124 LEU HD1 H 0.67 0.02 1 1146 124 124 LEU HD2 H 0.68 0.02 1 1147 124 124 LEU HG H 1.45 0.02 1 1148 124 124 LEU C C 176.4 0.3 1 1149 124 124 LEU CA C 54.3 0.3 1 1150 124 124 LEU CB C 43.3 0.3 1 1151 124 124 LEU CD1 C 25.3 0.3 1 1152 124 124 LEU CD2 C 21.2 0.3 1 1153 124 124 LEU CG C 26.6 0.3 1 1154 124 124 LEU N N 127.7 0.3 1 1155 125 125 ASN H H 8.95 0.02 1 1156 125 125 ASN HA H 4.93 0.02 1 1157 125 125 ASN HB2 H 2.64 0.02 2 1158 125 125 ASN HB3 H 2.74 0.02 2 1159 125 125 ASN HD21 H 7.50 0.02 1 1160 125 125 ASN HD22 H 6.85 0.02 1 1161 125 125 ASN C C 175.8 0.3 1 1162 125 125 ASN CA C 51.1 0.3 1 1163 125 125 ASN CB C 41.8 0.3 1 1164 125 125 ASN N N 117.4 0.3 1 1165 125 125 ASN ND2 N 113.6 0.3 1 1166 126 126 ASN H H 8.89 0.02 1 1167 126 126 ASN HA H 4.64 0.02 1 1168 126 126 ASN HB2 H 2.69 0.02 2 1169 126 126 ASN HB3 H 2.76 0.02 2 1170 126 126 ASN HD21 H 7.62 0.02 1 1171 126 126 ASN HD22 H 7.10 0.02 1 1172 126 126 ASN C C 177.4 0.3 1 1173 126 126 ASN CA C 54.5 0.3 1 1174 126 126 ASN CB C 38.2 0.3 1 1175 126 126 ASN N N 120.3 0.3 1 1176 126 126 ASN ND2 N 113.8 0.3 1 1177 127 127 GLY H H 9.09 0.02 1 1178 127 127 GLY HA2 H 3.65 0.02 2 1179 127 127 GLY HA3 H 4.40 0.02 2 1180 127 127 GLY CA C 45.6 0.3 1 1181 127 127 GLY N N 112.3 0.3 1 1182 128 128 THR H H 8.87 0.02 1 1183 128 128 THR HA H 5.27 0.02 1 1184 128 128 THR HB H 4.03 0.02 1 1185 128 128 THR HG2 H 1.27 0.02 1 1186 128 128 THR C C 175.7 0.3 1 1187 128 128 THR CA C 63.5 0.3 1 1188 128 128 THR CB C 69.6 0.3 1 1189 128 128 THR CG2 C 22.2 0.3 1 1190 128 128 THR N N 123.7 0.3 1 1191 129 129 ASN H H 10.06 0.02 1 1192 129 129 ASN HA H 5.07 0.02 1 1193 129 129 ASN HB2 H 2.42 0.02 2 1194 129 129 ASN HB3 H 2.24 0.02 2 1195 129 129 ASN HD21 H 8.33 0.02 1 1196 129 129 ASN HD22 H 6.31 0.02 1 1197 129 129 ASN C C 172.7 0.3 1 1198 129 129 ASN CA C 52.7 0.3 1 1199 129 129 ASN CB C 44.4 0.3 1 1200 129 129 ASN N N 125.7 0.3 1 1201 129 129 ASN ND2 N 118.0 0.3 1 1202 130 130 THR H H 9.03 0.02 1 1203 130 130 THR HA H 4.79 0.02 1 1204 130 130 THR HB H 3.78 0.02 1 1205 130 130 THR HG2 H 0.96 0.02 1 1206 130 130 THR C C 172.9 0.3 1 1207 130 130 THR CA C 61.8 0.3 1 1208 130 130 THR CB C 70.1 0.3 1 1209 130 130 THR CG2 C 22.1 0.3 1 1210 130 130 THR N N 117.8 0.3 1 1211 131 131 ILE H H 9.05 0.02 1 1212 131 131 ILE HA H 4.48 0.02 1 1213 131 131 ILE HB H 1.93 0.02 1 1214 131 131 ILE HD1 H 0.67 0.02 1 1215 131 131 ILE HG12 H 1.46 0.02 2 1216 131 131 ILE HG13 H 1.02 0.02 2 1217 131 131 ILE HG2 H 0.71 0.02 1 1218 131 131 ILE CA C 58.3 0.3 1 1219 131 131 ILE CB C 39.6 0.3 1 1220 131 131 ILE CD1 C 12.9 0.3 1 1221 131 131 ILE CG1 C 26.5 0.3 1 1222 131 131 ILE CG2 C 19.0 0.3 1 1223 131 131 ILE N N 128.2 0.3 1 1224 132 132 PRO HA H 4.94 0.02 1 1225 132 132 PRO HB2 H 1.78 0.02 2 1226 132 132 PRO HB3 H 1.97 0.02 2 1227 132 132 PRO HD2 H 3.49 0.02 2 1228 132 132 PRO HD3 H 3.77 0.02 2 1229 132 132 PRO C C 175.2 0.3 1 1230 132 132 PRO CA C 62.2 0.3 1 1231 132 132 PRO CB C 32.9 0.3 1 1232 132 132 PRO CD C 51.0 0.3 1 1233 132 132 PRO CG C 26.3 0.3 1 1234 133 133 PHE H H 8.46 0.02 1 1235 133 133 PHE HA H 4.53 0.02 1 1236 133 133 PHE HB2 H 2.55 0.02 2 1237 133 133 PHE HZ H 6.99 0.02 1 1238 133 133 PHE C C 175.6 0.3 1 1239 133 133 PHE CA C 57.0 0.3 1 1240 133 133 PHE CB C 45.0 0.3 1 1241 133 133 PHE CD1 C 132.0 0.3 1 1242 133 133 PHE CE1 C 130.6 0.3 1 1243 133 133 PHE CZ C 128.6 0.3 1 1244 133 133 PHE N N 117.0 0.3 1 1245 134 134 GLN H H 8.83 0.02 1 1246 134 134 GLN HA H 5.49 0.02 1 1247 134 134 GLN HB2 H 1.71 0.02 2 1248 134 134 GLN HB3 H 1.87 0.02 2 1249 134 134 GLN HE21 H 7.22 0.02 1 1250 134 134 GLN HE22 H 6.67 0.02 1 1251 134 134 GLN C C 174.5 0.3 1 1252 134 134 GLN CA C 54.2 0.3 1 1253 134 134 GLN CB C 35.0 0.3 1 1254 134 134 GLN CG C 34.4 0.3 1 1255 134 134 GLN N N 117.3 0.3 1 1256 134 134 GLN NE2 N 110.7 0.3 1 1257 135 135 ALA H H 9.28 0.02 1 1258 135 135 ALA HA H 5.62 0.02 1 1259 135 135 ALA HB H 1.11 0.02 1 1260 135 135 ALA C C 174.9 0.3 1 1261 135 135 ALA CA C 50.5 0.3 1 1262 135 135 ALA CB C 25.0 0.3 1 1263 135 135 ALA N N 121.8 0.3 1 1264 136 136 ARG H H 8.38 0.02 1 1265 136 136 ARG HA H 4.52 0.02 1 1266 136 136 ARG HB2 H 2.06 0.02 2 1267 136 136 ARG HB3 H 1.40 0.02 2 1268 136 136 ARG HD2 H 2.91 0.02 2 1269 136 136 ARG HD3 H 3.27 0.02 2 1270 136 136 ARG HE H 7.21 0.02 1 1271 136 136 ARG C C 173.6 0.3 1 1272 136 136 ARG CA C 53.9 0.3 1 1273 136 136 ARG CB C 33.4 0.3 1 1274 136 136 ARG CD C 44.9 0.3 1 1275 136 136 ARG N N 113.3 0.3 1 1276 136 136 ARG NE N 113.3 0.3 1 1277 137 137 TYR H H 8.55 0.02 1 1278 137 137 TYR HA H 5.36 0.02 1 1279 137 137 TYR HB2 H 2.79 0.02 2 1280 137 137 TYR HB3 H 2.50 0.02 2 1281 137 137 TYR C C 175.5 0.3 1 1282 137 137 TYR CA C 58.3 0.3 1 1283 137 137 TYR CB C 39.9 0.3 1 1284 137 137 TYR CD1 C 131.3 0.3 1 1285 137 137 TYR CE1 C 118.4 0.3 1 1286 137 137 TYR N N 118.5 0.3 1 1287 138 138 PHE H H 8.87 0.02 1 1288 138 138 PHE HA H 4.92 0.02 1 1289 138 138 PHE HB2 H 2.70 0.02 2 1290 138 138 PHE HB3 H 2.44 0.02 2 1291 138 138 PHE HZ H 7.36 0.02 1 1292 138 138 PHE C C 173.6 0.3 1 1293 138 138 PHE CA C 56.4 0.3 1 1294 138 138 PHE CB C 44.1 0.3 1 1295 138 138 PHE CD1 C 132.6 0.3 1 1296 138 138 PHE CE1 C 130.7 0.3 1 1297 138 138 PHE CZ C 129.2 0.3 1 1298 138 138 PHE N N 122.3 0.3 1 1299 139 139 ALA H H 8.73 0.02 1 1300 139 139 ALA HA H 5.04 0.02 1 1301 139 139 ALA HB H 1.49 0.02 1 1302 139 139 ALA C C 176.2 0.3 1 1303 139 139 ALA CA C 51.0 0.3 1 1304 139 139 ALA CB C 19.7 0.3 1 1305 139 139 ALA N N 131.2 0.3 1 1306 140 140 THR H H 8.23 0.02 1 1307 140 140 THR HA H 4.26 0.02 1 1308 140 140 THR HB H 4.18 0.02 1 1309 140 140 THR HG2 H 0.49 0.02 1 1310 140 140 THR C C 173.8 0.3 1 1311 140 140 THR CA C 60.8 0.3 1 1312 140 140 THR CB C 67.1 0.3 1 1313 140 140 THR CG2 C 21.6 0.3 1 1314 140 140 THR N N 111.9 0.3 1 1315 141 141 GLY H H 7.45 0.02 1 1316 141 141 GLY HA2 H 3.62 0.02 2 1317 141 141 GLY HA3 H 3.71 0.02 2 1318 141 141 GLY C C 169.5 0.3 1 1319 141 141 GLY CA C 44.3 0.3 1 1320 141 141 GLY N N 110.3 0.3 1 1321 142 142 ALA H H 8.28 0.02 1 1322 142 142 ALA HA H 4.26 0.02 1 1323 142 142 ALA HB H 1.21 0.02 1 1324 142 142 ALA C C 177.2 0.3 1 1325 142 142 ALA CA C 52.1 0.3 1 1326 142 142 ALA CB C 17.2 0.3 1 1327 142 142 ALA N N 121.8 0.3 1 1328 143 143 ALA H H 8.52 0.02 1 1329 143 143 ALA HA H 4.67 0.02 1 1330 143 143 ALA HB H 1.26 0.02 1 1331 143 143 ALA C C 178.1 0.3 1 1332 143 143 ALA CA C 52.5 0.3 1 1333 143 143 ALA CB C 21.2 0.3 1 1334 143 143 ALA N N 130.0 0.3 1 1335 144 144 THR H H 7.59 0.02 1 1336 144 144 THR HA H 4.71 0.02 1 1337 144 144 THR HB H 4.44 0.02 1 1338 144 144 THR HG2 H 1.12 0.02 1 1339 144 144 THR CA C 58.2 0.3 1 1340 144 144 THR CB C 68.1 0.3 1 1341 144 144 THR CG2 C 21.1 0.3 1 1342 144 144 THR N N 110.0 0.3 1 1343 145 145 PRO HA H 4.02 0.02 1 1344 145 145 PRO HB2 H 1.88 0.02 2 1345 145 145 PRO HB3 H 1.92 0.02 2 1346 145 145 PRO HD2 H 3.57 0.02 2 1347 145 145 PRO HD3 H 3.68 0.02 2 1348 145 145 PRO HG2 H 1.81 0.02 2 1349 145 145 PRO HG3 H 2.06 0.02 2 1350 145 145 PRO C C 176.7 0.3 1 1351 145 145 PRO CA C 62.6 0.3 1 1352 145 145 PRO CB C 33.0 0.3 1 1353 145 145 PRO CD C 50.3 0.3 1 1354 145 145 PRO CG C 27.6 0.3 1 1355 146 146 GLY H H 8.85 0.02 1 1356 146 146 GLY HA2 H 3.79 0.02 2 1357 146 146 GLY HA3 H 4.36 0.02 2 1358 146 146 GLY C C 172.5 0.3 1 1359 146 146 GLY CA C 44.2 0.3 1 1360 146 146 GLY N N 107.7 0.3 1 1361 147 147 ALA H H 8.36 0.02 1 1362 147 147 ALA HA H 4.16 0.02 1 1363 147 147 ALA HB H 1.48 0.02 1 1364 147 147 ALA C C 177.9 0.3 1 1365 147 147 ALA CA C 54.2 0.3 1 1366 147 147 ALA CB C 19.4 0.3 1 1367 147 147 ALA N N 122.5 0.3 1 1368 148 148 ALA H H 8.66 0.02 1 1369 148 148 ALA HA H 4.94 0.02 1 1370 148 148 ALA HB H 0.86 0.02 1 1371 148 148 ALA C C 173.8 0.3 1 1372 148 148 ALA CA C 51.2 0.3 1 1373 148 148 ALA CB C 18.3 0.3 1 1374 148 148 ALA N N 129.3 0.3 1 1375 149 149 ASN H H 8.82 0.02 1 1376 149 149 ASN HA H 5.64 0.02 1 1377 149 149 ASN HB2 H 2.67 0.02 2 1378 149 149 ASN HB3 H 2.99 0.02 2 1379 149 149 ASN HD21 H 6.65 0.02 1 1380 149 149 ASN HD22 H 7.49 0.02 1 1381 149 149 ASN C C 174.4 0.3 1 1382 149 149 ASN CA C 51.3 0.3 1 1383 149 149 ASN CB C 40.4 0.3 1 1384 149 149 ASN N N 121.2 0.3 1 1385 149 149 ASN ND2 N 110.4 0.3 1 1386 150 150 ALA H H 9.10 0.02 1 1387 150 150 ALA HA H 4.89 0.02 1 1388 150 150 ALA HB H 1.47 0.02 1 1389 150 150 ALA C C 174.6 0.3 1 1390 150 150 ALA CA C 52.2 0.3 1 1391 150 150 ALA CB C 25.1 0.3 1 1392 150 150 ALA N N 122.6 0.3 1 1393 151 151 ASP H H 9.01 0.02 1 1394 151 151 ASP HA H 5.87 0.02 1 1395 151 151 ASP HB2 H 2.57 0.02 2 1396 151 151 ASP HB3 H 2.49 0.02 2 1397 151 151 ASP C C 174.1 0.3 1 1398 151 151 ASP CA C 53.4 0.3 1 1399 151 151 ASP CB C 45.3 0.3 1 1400 151 151 ASP N N 120.0 0.3 1 1401 152 152 ALA H H 8.87 0.02 1 1402 152 152 ALA HA H 5.16 0.02 1 1403 152 152 ALA HB H 1.51 0.02 1 1404 152 152 ALA C C 176.4 0.3 1 1405 152 152 ALA CA C 51.2 0.3 1 1406 152 152 ALA CB C 23.4 0.3 1 1407 152 152 ALA N N 120.7 0.3 1 1408 153 153 THR H H 8.83 0.02 1 1409 153 153 THR HA H 5.35 0.02 1 1410 153 153 THR HB H 4.30 0.02 1 1411 153 153 THR HG2 H 1.25 0.02 1 1412 153 153 THR C C 173.9 0.3 1 1413 153 153 THR CA C 60.1 0.3 1 1414 153 153 THR CB C 71.9 0.3 1 1415 153 153 THR CG2 C 22.1 0.3 1 1416 153 153 THR N N 111.3 0.3 1 1417 154 154 PHE H H 8.46 0.02 1 1418 154 154 PHE HA H 5.76 0.02 1 1419 154 154 PHE C C 174.5 0.3 1 1420 154 154 PHE CA C 55.6 0.3 1 1421 154 154 PHE CB C 42.3 0.3 1 1422 154 154 PHE CD1 C 132.2 0.3 1 1423 154 154 PHE N N 114.5 0.3 1 1424 155 155 LYS H H 8.78 0.02 1 1425 155 155 LYS HA H 4.81 0.02 1 1426 155 155 LYS HB2 H 1.83 0.02 2 1427 155 155 LYS HB3 H 1.48 0.02 2 1428 155 155 LYS HE2 H 2.84 0.02 2 1429 155 155 LYS HE3 H 2.89 0.02 2 1430 155 155 LYS C C 174.8 0.3 1 1431 155 155 LYS CA C 54.6 0.3 1 1432 155 155 LYS CB C 36.8 0.3 1 1433 155 155 LYS CD C 29.5 0.3 1 1434 155 155 LYS CE C 42.1 0.3 1 1435 155 155 LYS CG C 25.1 0.3 1 1436 155 155 LYS N N 120.7 0.3 1 1437 156 156 VAL H H 8.69 0.02 1 1438 156 156 VAL HA H 4.84 0.02 1 1439 156 156 VAL HB H 1.63 0.02 1 1440 156 156 VAL HG1 H 0.83 0.02 1 1441 156 156 VAL HG2 H 0.37 0.02 1 1442 156 156 VAL C C 173.2 0.3 1 1443 156 156 VAL CA C 60.9 0.3 1 1444 156 156 VAL CB C 34.1 0.3 1 1445 156 156 VAL CG1 C 21.0 0.3 1 1446 156 156 VAL CG2 C 20.7 0.3 1 1447 156 156 VAL N N 120.3 0.3 1 1448 157 157 GLN H H 9.04 0.02 1 1449 157 157 GLN HA H 5.13 0.02 1 1450 157 157 GLN HB2 H 1.15 0.02 2 1451 157 157 GLN HB3 H 1.06 0.02 2 1452 157 157 GLN HE21 H 6.48 0.02 1 1453 157 157 GLN HE22 H 6.24 0.02 1 1454 157 157 GLN HG2 H 1.41 0.02 2 1455 157 157 GLN HG3 H 1.79 0.02 2 1456 157 157 GLN C C 174.3 0.3 1 1457 157 157 GLN CA C 53.5 0.3 1 1458 157 157 GLN CB C 34.5 0.3 1 1459 157 157 GLN CG C 35.5 0.3 1 1460 157 157 GLN N N 126.2 0.3 1 1461 157 157 GLN NE2 N 109.4 0.3 1 1462 158 158 TYR H H 9.13 0.02 1 1463 158 158 TYR HA H 5.31 0.02 1 1464 158 158 TYR HB2 H 2.86 0.02 2 1465 158 158 TYR HB3 H 2.77 0.02 2 1466 158 158 TYR C C 175.8 0.3 1 1467 158 158 TYR CA C 56.8 0.3 1 1468 158 158 TYR CB C 40.6 0.3 1 1469 158 158 TYR CD1 C 133.0 0.3 1 1470 158 158 TYR CE1 C 118.1 0.3 1 1471 158 158 TYR N N 126.4 0.3 1 1472 159 159 GLN H H 8.58 0.02 1 1473 159 159 GLN HA H 4.89 0.02 1 1474 159 159 GLN HB2 H 2.07 0.02 2 1475 159 159 GLN HB3 H 1.82 0.02 2 1476 159 159 GLN HE21 H 7.35 0.02 1 1477 159 159 GLN HE22 H 6.70 0.02 1 1478 159 159 GLN HG2 H 2.12 0.02 2 1479 159 159 GLN HG3 H 2.20 0.02 2 1480 159 159 GLN C C 175.8 0.3 1 1481 159 159 GLN CA C 54.8 0.3 1 1482 159 159 GLN CB C 32.5 0.3 1 1483 159 159 GLN CG C 33.4 0.3 1 1484 159 159 GLN N N 119.7 0.3 1 1485 159 159 GLN NE2 N 110.7 0.3 1 1486 160 160 GLY H H 8.74 0.02 1 1487 160 160 GLY HA2 H 4.12 0.02 2 1488 160 160 GLY HA3 H 4.18 0.02 2 1489 160 160 GLY C C 174.8 0.3 1 1490 160 160 GLY CA C 45.4 0.3 1 1491 160 160 GLY N N 109.8 0.3 1 1492 161 161 GLY H H 8.56 0.02 1 1493 161 161 GLY C C 175.3 0.3 1 1494 161 161 GLY CA C 45.1 0.3 1 1495 161 161 GLY N N 109.2 0.3 1 1496 162 162 GLY H H 8.48 0.02 1 1497 162 162 GLY HA2 H 4.04 0.02 2 1498 162 162 GLY HA3 H 3.91 0.02 2 1499 162 162 GLY C C 175.4 0.3 1 1500 162 162 GLY CA C 45.8 0.3 1 1501 162 162 GLY N N 108.7 0.3 1 1502 163 163 GLY H H 8.50 0.02 1 1503 163 163 GLY HA2 H 3.96 0.02 2 1504 163 163 GLY HA3 H 3.98 0.02 2 1505 163 163 GLY C C 175.4 0.3 1 1506 163 163 GLY CA C 45.7 0.3 1 1507 163 163 GLY N N 109.0 0.3 1 1508 164 164 GLY H H 8.29 0.02 1 1509 164 164 GLY HA2 H 3.89 0.02 2 1510 164 164 GLY HA3 H 3.98 0.02 2 1511 164 164 GLY C C 175.1 0.3 1 1512 164 164 GLY CA C 45.7 0.3 1 1513 164 164 GLY N N 109.1 0.3 1 1514 165 165 GLY H H 8.21 0.02 1 1515 165 165 GLY HA2 H 3.95 0.02 2 1516 165 165 GLY HA3 H 3.92 0.02 2 1517 165 165 GLY C C 173.9 0.3 1 1518 165 165 GLY CA C 45.2 0.3 1 1519 165 165 GLY N N 108.5 0.3 1 1520 166 166 ALA H H 8.11 0.02 1 1521 166 166 ALA HA H 4.37 0.02 1 1522 166 166 ALA HB H 1.38 0.02 1 1523 166 166 ALA C C 177.1 0.3 1 1524 166 166 ALA CA C 52.1 0.3 1 1525 166 166 ALA CB C 19.8 0.3 1 1526 166 166 ALA N N 123.8 0.3 1 1527 167 167 ALA H H 8.35 0.02 1 1528 167 167 ALA HA H 4.84 0.02 1 1529 167 167 ALA HB H 1.20 0.02 1 1530 167 167 ALA C C 177.8 0.3 1 1531 167 167 ALA CA C 51.9 0.3 1 1532 167 167 ALA CB C 20.0 0.3 1 1533 167 167 ALA N N 123.8 0.3 1 1534 168 168 THR H H 8.58 0.02 1 1535 168 168 THR HA H 4.60 0.02 1 1536 168 168 THR HB H 4.14 0.02 1 1537 168 168 THR HG2 H 1.20 0.02 1 1538 168 168 THR C C 173.3 0.3 1 1539 168 168 THR CA C 61.9 0.3 1 1540 168 168 THR CB C 71.3 0.3 1 1541 168 168 THR CG2 C 21.5 0.3 1 1542 168 168 THR N N 117.9 0.3 1 1543 169 169 THR H H 8.71 0.02 1 1544 169 169 THR HA H 5.30 0.02 1 1545 169 169 THR HB H 3.94 0.02 1 1546 169 169 THR HG2 H 1.19 0.02 1 1547 169 169 THR C C 174.3 0.3 1 1548 169 169 THR CA C 61.7 0.3 1 1549 169 169 THR CB C 70.0 0.3 1 1550 169 169 THR CG2 C 22.8 0.3 1 1551 169 169 THR N N 122.4 0.3 1 1552 170 170 VAL H H 9.28 0.02 1 1553 170 170 VAL HA H 4.77 0.02 1 1554 170 170 VAL HB H 2.29 0.02 1 1555 170 170 VAL HG1 H 1.00 0.02 1 1556 170 170 VAL HG2 H 1.03 0.02 1 1557 170 170 VAL C C 175.3 0.3 1 1558 170 170 VAL CA C 59.0 0.3 1 1559 170 170 VAL CB C 35.5 0.3 1 1560 170 170 VAL CG1 C 19.5 0.3 1 1561 170 170 VAL CG2 C 21.8 0.3 1 1562 170 170 VAL N N 120.4 0.3 1 1563 171 171 ASN H H 8.77 0.02 1 1564 171 171 ASN HA H 4.47 0.02 1 1565 171 171 ASN HD21 H 7.64 0.02 1 1566 171 171 ASN HD22 H 6.92 0.02 1 1567 171 171 ASN C C 174.9 0.3 1 1568 171 171 ASN CA C 54.7 0.3 1 1569 171 171 ASN CB C 38.2 0.3 1 1570 171 171 ASN N N 121.1 0.3 1 1571 171 171 ASN ND2 N 113.0 0.3 1 1572 172 172 GLY H H 8.39 0.02 1 1573 172 172 GLY HA2 H 2.98 0.02 2 1574 172 172 GLY HA3 H 3.97 0.02 2 1575 172 172 GLY C C 171.5 0.3 1 1576 172 172 GLY CA C 46.0 0.3 1 1577 172 172 GLY N N 113.0 0.3 1 1578 173 173 GLY H H 5.96 0.02 1 1579 173 173 GLY HA2 H 3.79 0.02 2 1580 173 173 GLY HA3 H 4.11 0.02 2 1581 173 173 GLY C C 172.0 0.3 1 1582 173 173 GLY CA C 46.4 0.3 1 1583 173 173 GLY N N 106.5 0.3 1 1584 174 174 THR H H 8.60 0.02 1 1585 174 174 THR HA H 4.89 0.02 1 1586 174 174 THR HB H 3.82 0.02 1 1587 174 174 THR HG2 H 0.66 0.02 1 1588 174 174 THR C C 172.3 0.3 1 1589 174 174 THR CA C 62.0 0.3 1 1590 174 174 THR CB C 71.4 0.3 1 1591 174 174 THR CG2 C 21.2 0.3 1 1592 174 174 THR N N 118.8 0.3 1 1593 175 175 VAL H H 9.14 0.02 1 1594 175 175 VAL HA H 4.15 0.02 1 1595 175 175 VAL HB H 1.34 0.02 1 1596 175 175 VAL HG1 H 0.54 0.02 1 1597 175 175 VAL HG2 H -0.27 0.02 1 1598 175 175 VAL C C 172.5 0.3 1 1599 175 175 VAL CA C 60.4 0.3 1 1600 175 175 VAL CB C 33.8 0.3 1 1601 175 175 VAL CG1 C 21.3 0.3 1 1602 175 175 VAL CG2 C 22.2 0.3 1 1603 175 175 VAL N N 124.6 0.3 1 1604 176 176 HIS H H 8.47 0.02 1 1605 176 176 HIS HA H 5.17 0.02 1 1606 176 176 HIS HB2 H 3.11 0.02 2 1607 176 176 HIS HB3 H 3.25 0.02 2 1608 176 176 HIS HD2 H 6.76 0.02 1 1609 176 176 HIS HE1 H 8.49 0.02 1 1610 176 176 HIS C C 173.3 0.3 1 1611 176 176 HIS CA C 53.0 0.3 1 1612 176 176 HIS CB C 28.7 0.3 1 1613 176 176 HIS CD2 C 122.0 0.3 1 1614 176 176 HIS CE1 C 135.8 0.3 1 1615 176 176 HIS N N 123.1 0.3 1 1616 177 177 PHE H H 9.65 0.02 1 1617 177 177 PHE HA H 5.16 0.02 1 1618 177 177 PHE HB2 H 2.79 0.02 2 1619 177 177 PHE HB3 H 2.88 0.02 2 1620 177 177 PHE HZ H 6.32 0.02 1 1621 177 177 PHE C C 176.6 0.3 1 1622 177 177 PHE CA C 57.5 0.3 1 1623 177 177 PHE CB C 39.6 0.3 1 1624 177 177 PHE CD1 C 131.3 0.3 1 1625 177 177 PHE CE1 C 130.4 0.3 1 1626 177 177 PHE CZ C 129.0 0.3 1 1627 177 177 PHE N N 123.7 0.3 1 1628 178 178 LYS H H 8.86 0.02 1 1629 178 178 LYS HA H 5.60 0.02 1 1630 178 178 LYS HB2 H 1.56 0.02 2 1631 178 178 LYS HB3 H 1.74 0.02 2 1632 178 178 LYS HD2 H 1.54 0.02 2 1633 178 178 LYS HD3 H 1.59 0.02 2 1634 178 178 LYS HE2 H 2.80 0.02 2 1635 178 178 LYS HE3 H 2.89 0.02 2 1636 178 178 LYS HG2 H 1.21 0.02 2 1637 178 178 LYS HG3 H 1.29 0.02 2 1638 178 178 LYS C C 174.7 0.3 1 1639 178 178 LYS CA C 54.2 0.3 1 1640 178 178 LYS CB C 37.0 0.3 1 1641 178 178 LYS CD C 29.2 0.3 1 1642 178 178 LYS CE C 42.4 0.3 1 1643 178 178 LYS CG C 25.5 0.3 1 1644 178 178 LYS N N 124.0 0.3 1 1645 179 179 GLY H H 7.97 0.02 1 1646 179 179 GLY HA2 H 4.01 0.02 2 1647 179 179 GLY HA3 H 5.04 0.02 2 1648 179 179 GLY C C 172.9 0.3 1 1649 179 179 GLY CA C 46.6 0.3 1 1650 179 179 GLY N N 110.2 0.3 1 1651 180 180 GLU H H 8.47 0.02 1 1652 180 180 GLU HA H 4.66 0.02 1 1653 180 180 GLU HB2 H 1.89 0.02 2 1654 180 180 GLU HB3 H 1.83 0.02 2 1655 180 180 GLU C C 173.1 0.3 1 1656 180 180 GLU CA C 55.6 0.3 1 1657 180 180 GLU CB C 34.2 0.3 1 1658 180 180 GLU CG C 35.8 0.3 1 1659 180 180 GLU N N 117.0 0.3 1 1660 181 181 VAL H H 8.58 0.02 1 1661 181 181 VAL HA H 4.97 0.02 1 1662 181 181 VAL HB H 1.97 0.02 1 1663 181 181 VAL HG1 H 0.24 0.02 1 1664 181 181 VAL HG2 H 0.52 0.02 1 1665 181 181 VAL C C 177.1 0.3 1 1666 181 181 VAL CA C 60.2 0.3 1 1667 181 181 VAL CB C 31.8 0.3 1 1668 181 181 VAL CG1 C 20.5 0.3 1 1669 181 181 VAL CG2 C 22.5 0.3 1 1670 181 181 VAL N N 124.0 0.3 1 1671 182 182 VAL H H 9.10 0.02 1 1672 182 182 VAL HA H 4.73 0.02 1 1673 182 182 VAL HB H 2.15 0.02 1 1674 182 182 VAL HG1 H 0.64 0.02 1 1675 182 182 VAL HG2 H 0.75 0.02 1 1676 182 182 VAL C C 175.0 0.3 1 1677 182 182 VAL CA C 59.1 0.3 1 1678 182 182 VAL CB C 35.0 0.3 1 1679 182 182 VAL CG1 C 18.7 0.3 1 1680 182 182 VAL CG2 C 21.8 0.3 1 1681 182 182 VAL N N 122.2 0.3 1 1682 183 183 ASN H H 8.96 0.02 1 1683 183 183 ASN HA H 4.87 0.02 1 1684 183 183 ASN HB2 H 2.82 0.02 2 1685 183 183 ASN HB3 H 2.62 0.02 2 1686 183 183 ASN HD21 H 7.63 0.02 1 1687 183 183 ASN HD22 H 6.95 0.02 1 1688 183 183 ASN C C 174.3 0.3 1 1689 183 183 ASN CA C 53.4 0.3 1 1690 183 183 ASN CB C 38.8 0.3 1 1691 183 183 ASN N N 121.3 0.3 1 1692 183 183 ASN ND2 N 112.3 0.3 1 1693 184 184 ALA H H 7.66 0.02 1 1694 184 184 ALA HA H 4.07 0.02 1 1695 184 184 ALA HB H 1.29 0.02 1 1696 184 184 ALA CA C 53.8 0.3 1 1697 184 184 ALA CB C 20.9 0.3 1 1698 184 184 ALA N N 129.0 0.3 1 stop_ save_