data_27234 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution chemical shifts CAMSAP3 CKK domain ; _BMRB_accession_number 27234 _BMRB_flat_file_name bmr27234.str _Entry_type original _Submission_date 2017-08-24 _Accession_date 2017-08-24 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Atherton Joseph . . 2 Jiang Kai . . 3 Marcel Stangier M. . 4 Luo Yanzhang . . 5 Hua Sasha . . 6 Houben Klaartje . . 7 'van Hooff' Jolien J.E. . 8 Joseph Agnel-Praveen . . 9 Scarabelli Guido . . 10 Grant Barry J. . 11 Roberts Anthony J. . 12 Topf Maya . . 13 Steinmetz Michel O. . 14 Baldus Marc . . 15 Moores Carolyn A. . 16 Akhmanova Anna . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 628 "13C chemical shifts" 520 "15N chemical shifts" 124 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-01-18 update BMRB 'update entry citation' 2017-09-25 original author 'original release' stop_ _Original_release_date 2017-08-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; A structural model for microtubule minus-end recognition and protection by CAMSAP proteins. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28991265 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Atherton Joseph . . 2 Jiang Kai . . 3 Stangier Marcel M. . 4 Luo Yanzhang . . 5 Hua Sasha . . 6 Houben Klaartje . . 7 'van Hooff' Jolien J.E. . 8 Joseph Agnel-Praveen . . 9 Scarabelli Guido . . 10 Grant Barry J. . 11 Roberts Anthony J. . 12 Topf Maya . . 13 Steinmetz Michel O. . 14 Baldus Marc . . 15 Moores Carolyn A. . 16 Akhmanova Anna . . stop_ _Journal_abbreviation 'Nat. Struct. Mol. Biol.' _Journal_name_full 'Nature structural & molecular biology' _Journal_volume 24 _Journal_issue 11 _Journal_ISSN 1545-9985 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 931 _Page_last 943 _Year 2017 _Details . loop_ _Keyword CAMSAP CKK Microtubules stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CAMSAP3 CKK domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CAMSAP3 CKK domain' $CAMSAP3_CKK 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_CAMSAP3_CKK _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CAMSAP3_CKK _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 175 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MASMTGGQQMGRGSGPRLYK EPSAKSNKFIIHNALSHCCL AGKVNEPQKNRILEEIEKSK ANHFLILFRDSSCQFRALYT LSGETEELSRLAGYGPRTVT PAMVEGIYKYNSDRKRFTQI PAKTMSMSVDAFTIQGHLWQ SKKPTTPKKGGGTPK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -27 MET 2 -26 GLY 3 -25 SER 4 -24 SER 5 -23 HIS 6 -22 HIS 7 -21 HIS 8 -20 HIS 9 -19 HIS 10 -18 HIS 11 -17 SER 12 -16 SER 13 -15 GLY 14 -14 LEU 15 -13 VAL 16 -12 PRO 17 -11 ARG 18 -10 GLY 19 -9 SER 20 -8 HIS 21 -7 MET 22 -6 ALA 23 -5 SER 24 -4 MET 25 -3 THR 26 -2 GLY 27 -1 GLY 28 0 GLN 29 1 GLN 30 2 MET 31 3 GLY 32 4 ARG 33 5 GLY 34 6 SER 35 7 GLY 36 8 PRO 37 9 ARG 38 10 LEU 39 11 TYR 40 12 LYS 41 13 GLU 42 14 PRO 43 15 SER 44 16 ALA 45 17 LYS 46 18 SER 47 19 ASN 48 20 LYS 49 21 PHE 50 22 ILE 51 23 ILE 52 24 HIS 53 25 ASN 54 26 ALA 55 27 LEU 56 28 SER 57 29 HIS 58 30 CYS 59 31 CYS 60 32 LEU 61 33 ALA 62 34 GLY 63 35 LYS 64 36 VAL 65 37 ASN 66 38 GLU 67 39 PRO 68 40 GLN 69 41 LYS 70 42 ASN 71 43 ARG 72 44 ILE 73 45 LEU 74 46 GLU 75 47 GLU 76 48 ILE 77 49 GLU 78 50 LYS 79 51 SER 80 52 LYS 81 53 ALA 82 54 ASN 83 55 HIS 84 56 PHE 85 57 LEU 86 58 ILE 87 59 LEU 88 60 PHE 89 61 ARG 90 62 ASP 91 63 SER 92 64 SER 93 65 CYS 94 66 GLN 95 67 PHE 96 68 ARG 97 69 ALA 98 70 LEU 99 71 TYR 100 72 THR 101 73 LEU 102 74 SER 103 75 GLY 104 76 GLU 105 77 THR 106 78 GLU 107 79 GLU 108 80 LEU 109 81 SER 110 82 ARG 111 83 LEU 112 84 ALA 113 85 GLY 114 86 TYR 115 87 GLY 116 88 PRO 117 89 ARG 118 90 THR 119 91 VAL 120 92 THR 121 93 PRO 122 94 ALA 123 95 MET 124 96 VAL 125 97 GLU 126 98 GLY 127 99 ILE 128 100 TYR 129 101 LYS 130 102 TYR 131 103 ASN 132 104 SER 133 105 ASP 134 106 ARG 135 107 LYS 136 108 ARG 137 109 PHE 138 110 THR 139 111 GLN 140 112 ILE 141 113 PRO 142 114 ALA 143 115 LYS 144 116 THR 145 117 MET 146 118 SER 147 119 MET 148 120 SER 149 121 VAL 150 122 ASP 151 123 ALA 152 124 PHE 153 125 THR 154 126 ILE 155 127 GLN 156 128 GLY 157 129 HIS 158 130 LEU 159 131 TRP 160 132 GLN 161 133 SER 162 134 LYS 163 135 LYS 164 136 PRO 165 137 THR 166 138 THR 167 139 PRO 168 140 LYS 169 141 LYS 170 142 GLY 171 143 GLY 172 144 GLY 173 145 THR 174 146 PRO 175 147 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 Uniprot U5LHW9 CAMSAP3 . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CAMSAP3_CKK Mouse 10090 Eukaryota Metazoa Mus musculus 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 $CAMSAP3_CKK 'recombinant technology' . Escherichia coli . pET28a 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 $CAMSAP3_CKK 0.5 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 40 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' D2O 5 % '[U-99% 2H]' H2O 95 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _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_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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' 190 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HCCH-TOCSY' '3D HBHA(CO)NH' '2D 1H-13C HSQC' 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 'CAMSAP3 CKK domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 7 35 GLY H H 8.239 0.02 1 2 7 35 GLY CA C 44.7 0.2 1 3 7 35 GLY N N 110.7 0.2 1 4 8 36 PRO HA H 4.325 0.02 1 5 8 36 PRO HB2 H 2.163 0.02 2 6 8 36 PRO HB3 H 1.787 0.02 2 7 8 36 PRO HG2 H 1.918 0.02 1 8 8 36 PRO HG3 H 1.918 0.02 1 9 8 36 PRO HD2 H 3.529 0.02 1 10 8 36 PRO HD3 H 3.530 0.02 1 11 8 36 PRO C C 176.8 0.2 1 12 8 36 PRO CA C 63.1 0.2 1 13 8 36 PRO CB C 32.18 0.2 1 14 8 36 PRO CG C 27.16 0.2 1 15 8 36 PRO CD C 49.81 0.2 1 16 9 37 ARG H H 8.302 0.02 1 17 9 37 ARG HA H 4.183 0.02 1 18 9 37 ARG HB2 H 1.677 0.02 1 19 9 37 ARG HB3 H 1.677 0.02 1 20 9 37 ARG HG2 H 1.559 0.02 1 21 9 37 ARG HG3 H 1.559 0.02 1 22 9 37 ARG HD2 H 3.102 0.02 1 23 9 37 ARG HD3 H 3.102 0.02 1 24 9 37 ARG C C 175.9 0.2 1 25 9 37 ARG CA C 55.95 0.2 1 26 9 37 ARG CB C 30.67 0.2 1 27 9 37 ARG CG C 27.02 0.2 1 28 9 37 ARG CD C 43.3 0.2 1 29 9 37 ARG N N 121.1 0.2 1 30 10 38 LEU H H 8.162 0.02 1 31 10 38 LEU HA H 4.220 0.02 1 32 10 38 LEU HB2 H 1.317 0.02 2 33 10 38 LEU HB3 H 1.421 0.02 2 34 10 38 LEU HG H 1.457 0.02 1 35 10 38 LEU HD1 H 0.784 0.02 1 36 10 38 LEU HD2 H 0.726 0.02 1 37 10 38 LEU C C 175.8 0.2 1 38 10 38 LEU CA C 54.95 0.2 1 39 10 38 LEU CB C 42.49 0.2 1 40 10 38 LEU CG C 26.96 0.2 1 41 10 38 LEU CD1 C 24.79 0.2 2 42 10 38 LEU CD2 C 23.5 0.2 2 43 10 38 LEU N N 123.5 0.2 1 44 11 39 TYR H H 8.030 0.02 1 45 11 39 TYR HA H 4.452 0.02 1 46 11 39 TYR HB2 H 2.861 0.02 1 47 11 39 TYR HB3 H 2.861 0.02 1 48 11 39 TYR C C 175 0.2 1 49 11 39 TYR CA C 57.65 0.2 1 50 11 39 TYR CB C 39.06 0.2 1 51 11 39 TYR N N 120.9 0.2 1 52 12 40 LYS H H 8.011 0.02 1 53 12 40 LYS HA H 4.176 0.02 1 54 12 40 LYS HB2 H 1.526 0.02 2 55 12 40 LYS HB3 H 1.608 0.02 2 56 12 40 LYS HG2 H 1.229 0.02 1 57 12 40 LYS HG3 H 1.230 0.02 1 58 12 40 LYS HD2 H 1.530 0.02 1 59 12 40 LYS HD3 H 1.530 0.02 1 60 12 40 LYS HE2 H 2.873 0.02 1 61 12 40 LYS HE3 H 2.883 0.02 1 62 12 40 LYS C C 175.5 0.2 1 63 12 40 LYS CA C 55.56 0.2 1 64 12 40 LYS CB C 33.47 0.2 1 65 12 40 LYS CG C 24.51 0.2 1 66 12 40 LYS CD C 29.06 0.2 1 67 12 40 LYS CE C 42.14 0.2 1 68 12 40 LYS N N 123.5 0.2 1 69 13 41 GLU H H 8.345 0.02 1 70 13 41 GLU HA H 4.409 0.02 1 71 13 41 GLU HG2 H 2.256 0.02 1 72 13 41 GLU HG3 H 2.252 0.02 1 73 13 41 GLU CA C 54.47 0.2 1 74 13 41 GLU CB C 29.63 0.2 1 75 13 41 GLU CG C 35.9 0.2 1 76 13 41 GLU N N 124.1 0.2 1 77 14 42 PRO HA H 4.354 0.02 1 78 14 42 PRO HB2 H 2.249 0.02 2 79 14 42 PRO HB3 H 1.888 0.02 2 80 14 42 PRO HG2 H 1.928 0.02 1 81 14 42 PRO HG3 H 1.927 0.02 1 82 14 42 PRO HD2 H 3.787 0.02 2 83 14 42 PRO HD3 H 3.628 0.02 2 84 14 42 PRO C C 177 0.2 1 85 14 42 PRO CA C 63.45 0.2 1 86 14 42 PRO CB C 32.15 0.2 1 87 14 42 PRO CG C 27.36 0.2 1 88 14 42 PRO CD C 51.11 0.2 1 89 15 43 SER H H 8.303 0.02 1 90 15 43 SER C C 174.4 0.2 1 91 15 43 SER CA C 58.36 0.2 1 92 15 43 SER CB C 63.92 0.2 1 93 15 43 SER N N 115.4 0.2 1 94 16 44 ALA H H 8.163 0.02 1 95 16 44 ALA C C 177.5 0.2 1 96 16 44 ALA CA C 52.42 0.2 1 97 16 44 ALA CB C 19.52 0.2 1 98 16 44 ALA N N 125.6 0.2 1 99 17 45 LYS H H 8.218 0.02 1 100 17 45 LYS HA H 4.254 0.02 1 101 17 45 LYS HB2 H 1.740 0.02 2 102 17 45 LYS HB3 H 1.809 0.02 2 103 17 45 LYS HG2 H 1.393 0.02 1 104 17 45 LYS HG3 H 1.391 0.02 1 105 17 45 LYS HD2 H 1.652 0.02 1 106 17 45 LYS HD3 H 1.656 0.02 1 107 17 45 LYS HE2 H 2.897 0.02 1 108 17 45 LYS HE3 H 2.897 0.02 1 109 17 45 LYS C C 176 0.2 1 110 17 45 LYS CA C 52.89 0.2 1 111 17 45 LYS CB C 33.03 0.2 1 112 17 45 LYS CG C 24.62 0.2 1 113 17 45 LYS CD C 29.06 0.2 1 114 17 45 LYS CE C 42.03 0.2 1 115 17 45 LYS N N 120.5 0.2 1 116 18 46 SER H H 8.110 0.02 1 117 18 46 SER HA H 4.947 0.02 1 118 18 46 SER HB2 H 3.772 0.02 2 119 18 46 SER HB3 H 4.092 0.02 2 120 18 46 SER C C 175.5 0.2 1 121 18 46 SER CA C 56.82 0.2 1 122 18 46 SER CB C 65.44 0.2 1 123 18 46 SER N N 114.6 0.2 1 124 19 47 ASN H H 8.371 0.02 1 125 19 47 ASN HA H 5.234 0.02 1 126 19 47 ASN HB2 H 2.931 0.02 2 127 19 47 ASN HB3 H 3.290 0.02 2 128 19 47 ASN C C 176.5 0.2 1 129 19 47 ASN CA C 52.31 0.2 1 130 19 47 ASN CB C 38.78 0.2 1 131 19 47 ASN N N 125.2 0.2 1 132 20 48 LYS H H 8.348 0.02 1 133 20 48 LYS HA H 3.430 0.02 1 134 20 48 LYS HB2 H 1.488 0.02 2 135 20 48 LYS HB3 H 1.716 0.02 2 136 20 48 LYS HG2 H 0.668 0.02 2 137 20 48 LYS HG3 H 0.670 0.02 2 138 20 48 LYS HD2 H 1.496 0.02 2 139 20 48 LYS HD3 H 1.398 0.02 2 140 20 48 LYS HE2 H 2.794 0.02 2 141 20 48 LYS HE3 H 2.765 0.02 2 142 20 48 LYS C C 177 0.2 1 143 20 48 LYS CA C 61.44 0.2 1 144 20 48 LYS CB C 32.78 0.2 1 145 20 48 LYS CG C 24.6 0.2 1 146 20 48 LYS CD C 29.42 0.2 1 147 20 48 LYS CE C 42.12 0.2 1 148 20 48 LYS N N 120.9 0.2 1 149 21 49 PHE H H 8.420 0.02 1 150 21 49 PHE HA H 4.206 0.02 1 151 21 49 PHE HB2 H 3.024 0.02 2 152 21 49 PHE HB3 H 3.127 0.02 2 153 21 49 PHE C C 178.2 0.2 1 154 21 49 PHE CA C 60.71 0.2 1 155 21 49 PHE CB C 37.85 0.2 1 156 21 49 PHE N N 116.0 0.2 1 157 22 50 ILE H H 7.198 0.02 1 158 22 50 ILE HA H 3.776 0.02 1 159 22 50 ILE HB H 2.123 0.02 1 160 22 50 ILE HG12 H 1.656 0.02 2 161 22 50 ILE HG13 H 1.366 0.02 2 162 22 50 ILE HG2 H 1.109 0.02 1 163 22 50 ILE HD1 H 1.053 0.02 1 164 22 50 ILE C C 177.6 0.2 1 165 22 50 ILE CA C 64.09 0.2 1 166 22 50 ILE CB C 37.73 0.2 1 167 22 50 ILE CG1 C 28.72 0.2 1 168 22 50 ILE CG2 C 18.19 0.2 1 169 22 50 ILE CD1 C 12.72 0.2 1 170 22 50 ILE N N 122.3 0.2 1 171 23 51 ILE H H 7.998 0.02 1 172 23 51 ILE HA H 3.614 0.02 1 173 23 51 ILE HB H 2.036 0.02 1 174 23 51 ILE HG12 H 1.295 0.02 2 175 23 51 ILE HG13 H 1.833 0.02 2 176 23 51 ILE HG2 H 0.626 0.02 1 177 23 51 ILE HD1 H 0.867 0.02 1 178 23 51 ILE C C 178.1 0.2 1 179 23 51 ILE CA C 61.42 0.2 1 180 23 51 ILE CB C 34.66 0.2 1 181 23 51 ILE CG1 C 28.08 0.2 1 182 23 51 ILE CG2 C 17.91 0.2 1 183 23 51 ILE CD1 C 8.614 0.2 1 184 23 51 ILE N N 120.2 0.2 1 185 24 52 HIS H H 8.511 0.02 1 186 24 52 HIS HA H 3.675 0.02 1 187 24 52 HIS HB2 H 3.109 0.02 1 188 24 52 HIS HB3 H 3.109 0.02 1 189 24 52 HIS C C 178.4 0.2 1 190 24 52 HIS CA C 59.79 0.2 1 191 24 52 HIS CB C 30.98 0.2 1 192 24 52 HIS N N 120.5 0.2 1 193 25 53 ASN H H 7.713 0.02 1 194 25 53 ASN HA H 4.182 0.02 1 195 25 53 ASN HB2 H 2.979 0.02 2 196 25 53 ASN HB3 H 3.069 0.02 2 197 25 53 ASN C C 176.2 0.2 1 198 25 53 ASN CA C 57.77 0.2 1 199 25 53 ASN CB C 38.44 0.2 1 200 25 53 ASN N N 119.2 0.2 1 201 26 54 ALA H H 8.594 0.02 1 202 26 54 ALA HA H 3.373 0.02 1 203 26 54 ALA HB H 0.550 0.02 1 204 26 54 ALA C C 181.8 0.2 1 205 26 54 ALA CA C 54.73 0.2 1 206 26 54 ALA CB C 17.52 0.2 1 207 26 54 ALA N N 122.4 0.2 1 208 27 55 LEU H H 8.684 0.02 1 209 27 55 LEU HA H 3.647 0.02 1 210 27 55 LEU HB2 H 1.727 0.02 2 211 27 55 LEU HB3 H 0.825 0.02 2 212 27 55 LEU HG H 1.802 0.02 1 213 27 55 LEU HD1 H 0.455 0.02 1 214 27 55 LEU HD2 H 0.444 0.02 1 215 27 55 LEU C C 177.3 0.2 1 216 27 55 LEU CA C 58.55 0.2 1 217 27 55 LEU CB C 41.53 0.2 1 218 27 55 LEU CG C 26.46 0.2 1 219 27 55 LEU CD1 C 26.76 0.2 2 220 27 55 LEU CD2 C 23.17 0.2 2 221 27 55 LEU N N 117.8 0.2 1 222 28 56 SER H H 7.656 0.02 1 223 28 56 SER HA H 3.691 0.02 1 224 28 56 SER HB2 H 3.490 0.02 2 225 28 56 SER HB3 H 3.304 0.02 2 226 28 56 SER C C 175 0.2 1 227 28 56 SER CA C 61.84 0.2 1 228 28 56 SER CB C 63.08 0.2 1 229 28 56 SER N N 111.0 0.2 1 230 29 57 HIS H H 8.366 0.02 1 231 29 57 HIS HA H 4.758 0.02 1 232 29 57 HIS HB2 H 3.023 0.02 1 233 29 57 HIS HB3 H 3.023 0.02 1 234 29 57 HIS C C 175.7 0.2 1 235 29 57 HIS CA C 56.4 0.2 1 236 29 57 HIS CB C 32.16 0.2 1 237 29 57 HIS N N 113.4 0.2 1 238 30 58 CYS H H 7.658 0.02 1 239 30 58 CYS HA H 4.791 0.02 1 240 30 58 CYS HB2 H 2.985 0.02 2 241 30 58 CYS HB3 H 3.296 0.02 2 242 30 58 CYS C C 175.6 0.2 1 243 30 58 CYS CA C 61.01 0.2 1 244 30 58 CYS CB C 28.72 0.2 1 245 30 58 CYS N N 117.5 0.2 1 246 31 59 CYS H H 8.639 0.02 1 247 31 59 CYS HA H 4.626 0.02 1 248 31 59 CYS HB2 H 2.994 0.02 2 249 31 59 CYS HB3 H 3.239 0.02 2 250 31 59 CYS C C 174.6 0.2 1 251 31 59 CYS CA C 61.41 0.2 1 252 31 59 CYS CB C 30.44 0.2 1 253 31 59 CYS N N 115.9 0.2 1 254 32 60 LEU H H 8.367 0.02 1 255 32 60 LEU HA H 4.458 0.02 1 256 32 60 LEU HB2 H 1.131 0.02 2 257 32 60 LEU HB3 H 1.381 0.02 2 258 32 60 LEU HG H 0.995 0.02 1 259 32 60 LEU HD1 H 0.519 0.02 1 260 32 60 LEU HD2 H 0.050 0.02 1 261 32 60 LEU C C 174.1 0.2 1 262 32 60 LEU CA C 52.83 0.2 1 263 32 60 LEU CB C 42.74 0.2 1 264 32 60 LEU CG C 25.35 0.2 1 265 32 60 LEU CD1 C 23.18 0.2 2 266 32 60 LEU CD2 C 25.84 0.2 2 267 32 60 LEU N N 122.6 0.2 1 268 33 61 ALA H H 7.392 0.02 1 269 33 61 ALA HA H 4.205 0.02 1 270 33 61 ALA HB H 1.151 0.02 1 271 33 61 ALA C C 179.4 0.2 1 272 33 61 ALA CA C 52.4 0.2 1 273 33 61 ALA CB C 20.65 0.2 1 274 33 61 ALA N N 121.5 0.2 1 275 34 62 GLY H H 8.419 0.02 1 276 34 62 GLY CA C 44.62 0.2 1 277 34 62 GLY N N 108.3 0.2 1 278 35 63 LYS HA H 4.004 0.02 1 279 35 63 LYS HB2 H 1.783 0.02 1 280 35 63 LYS HB3 H 1.783 0.02 1 281 35 63 LYS HG2 H 1.406 0.02 1 282 35 63 LYS HG3 H 1.410 0.02 1 283 35 63 LYS HD2 H 1.621 0.02 1 284 35 63 LYS HD3 H 1.621 0.02 1 285 35 63 LYS HE2 H 2.909 0.02 1 286 35 63 LYS HE3 H 2.909 0.02 1 287 35 63 LYS C C 180 0.2 1 288 35 63 LYS CA C 59.19 0.2 1 289 35 63 LYS CB C 32.04 0.2 1 290 35 63 LYS CG C 24.45 0.2 1 291 35 63 LYS CD C 28.39 0.2 1 292 35 63 LYS CE C 42.04 0.2 1 293 36 64 VAL H H 8.300 0.02 1 294 36 64 VAL HA H 3.831 0.02 1 295 36 64 VAL HB H 2.028 0.02 1 296 36 64 VAL HG1 H 0.916 0.02 1 297 36 64 VAL HG2 H 0.830 0.02 1 298 36 64 VAL C C 176.2 0.2 1 299 36 64 VAL CA C 64.43 0.2 1 300 36 64 VAL CB C 31.25 0.2 1 301 36 64 VAL CG1 C 21.18 0.2 2 302 36 64 VAL CG2 C 20.22 0.2 2 303 36 64 VAL N N 117.2 0.2 1 304 37 65 ASN H H 7.087 0.02 1 305 37 65 ASN HA H 4.878 0.02 1 306 37 65 ASN HB2 H 2.586 0.02 2 307 37 65 ASN HB3 H 2.087 0.02 2 308 37 65 ASN C C 174.4 0.2 1 309 37 65 ASN CA C 52.89 0.2 1 310 37 65 ASN CB C 40.56 0.2 1 311 37 65 ASN N N 115.3 0.2 1 312 38 66 GLU H H 7.461 0.02 1 313 38 66 GLU HA H 4.048 0.02 1 314 38 66 GLU HB2 H 2.106 0.02 1 315 38 66 GLU HB3 H 2.106 0.02 1 316 38 66 GLU HG2 H 2.234 0.02 2 317 38 66 GLU HG3 H 2.122 0.02 2 318 38 66 GLU CA C 61.34 0.2 1 319 38 66 GLU CB C 27.85 0.2 1 320 38 66 GLU CG C 37.18 0.2 1 321 38 66 GLU N N 122.1 0.2 1 322 39 67 PRO HA H 4.229 0.02 1 323 39 67 PRO HB2 H 2.264 0.02 2 324 39 67 PRO HB3 H 1.788 0.02 2 325 39 67 PRO HG2 H 2.081 0.02 2 326 39 67 PRO HG3 H 1.885 0.02 2 327 39 67 PRO HD2 H 3.712 0.02 2 328 39 67 PRO HD3 H 3.611 0.02 2 329 39 67 PRO C C 179.9 0.2 1 330 39 67 PRO CA C 66.37 0.2 1 331 39 67 PRO CB C 31.02 0.2 1 332 39 67 PRO CG C 28.34 0.2 1 333 39 67 PRO CD C 50.18 0.2 1 334 40 68 GLN H H 7.647 0.02 1 335 40 68 GLN HA H 3.975 0.02 1 336 40 68 GLN HB2 H 1.968 0.02 1 337 40 68 GLN HB3 H 1.968 0.02 1 338 40 68 GLN HG2 H 2.305 0.02 2 339 40 68 GLN HG3 H 2.131 0.02 2 340 40 68 GLN C C 177.6 0.2 1 341 40 68 GLN CA C 58.79 0.2 1 342 40 68 GLN CB C 28.37 0.2 1 343 40 68 GLN CG C 34 0.2 1 344 40 68 GLN N N 117.4 0.2 1 345 41 69 LYS H H 8.516 0.02 1 346 41 69 LYS HA H 3.315 0.02 1 347 41 69 LYS HB2 H 1.743 0.02 1 348 41 69 LYS HB3 H 1.743 0.02 1 349 41 69 LYS HG2 H 1.052 0.02 2 350 41 69 LYS HG3 H 0.941 0.02 2 351 41 69 LYS HD2 H 1.441 0.02 1 352 41 69 LYS HD3 H 1.441 0.02 1 353 41 69 LYS HE2 H 2.794 0.02 2 354 41 69 LYS HE3 H 2.653 0.02 2 355 41 69 LYS C C 177.8 0.2 1 356 41 69 LYS CA C 60.51 0.2 1 357 41 69 LYS CB C 30.35 0.2 1 358 41 69 LYS CG C 24.12 0.2 1 359 41 69 LYS CD C 28.16 0.2 1 360 41 69 LYS CE C 41.71 0.2 1 361 41 69 LYS N N 120.2 0.2 1 362 42 70 ASN H H 8.653 0.02 1 363 42 70 ASN HA H 4.206 0.02 1 364 42 70 ASN HB2 H 2.725 0.02 1 365 42 70 ASN HB3 H 2.725 0.02 1 366 42 70 ASN C C 178.3 0.2 1 367 42 70 ASN CA C 56.01 0.2 1 368 42 70 ASN CB C 37.28 0.2 1 369 42 70 ASN N N 116.0 0.2 1 370 43 71 ARG H H 7.525 0.02 1 371 43 71 ARG HA H 4.078 0.02 1 372 43 71 ARG HB2 H 1.928 0.02 2 373 43 71 ARG HB3 H 1.848 0.02 2 374 43 71 ARG HG2 H 1.690 0.02 2 375 43 71 ARG HG3 H 1.616 0.02 2 376 43 71 ARG HD2 H 3.167 0.02 2 377 43 71 ARG HD3 H 3.178 0.02 2 378 43 71 ARG C C 178.9 0.2 1 379 43 71 ARG CA C 59.17 0.2 1 380 43 71 ARG CB C 30.08 0.2 1 381 43 71 ARG CG C 27.47 0.2 1 382 43 71 ARG CD C 43.28 0.2 1 383 43 71 ARG N N 120.3 0.2 1 384 44 72 ILE H H 7.965 0.02 1 385 44 72 ILE HA H 3.431 0.02 1 386 44 72 ILE HB H 1.670 0.02 1 387 44 72 ILE HG12 H 1.186 0.02 1 388 44 72 ILE HG13 H 1.186 0.02 1 389 44 72 ILE HG2 H 0.551 0.02 1 390 44 72 ILE HD1 H 0.504 0.02 1 391 44 72 ILE C C 174.6 0.2 1 392 44 72 ILE CA C 63.91 0.2 1 393 44 72 ILE CB C 35.9 0.2 1 394 44 72 ILE CG1 C 27.92 0.2 1 395 44 72 ILE CG2 C 19.04 0.2 1 396 44 72 ILE CD1 C 11.85 0.2 1 397 44 72 ILE N N 119.8 0.2 1 398 45 73 LEU H H 8.445 0.02 1 399 45 73 LEU HA H 3.653 0.02 1 400 45 73 LEU HB2 H 1.725 0.02 2 401 45 73 LEU HB3 H 1.725 0.02 2 402 45 73 LEU HG H 1.597 0.02 1 403 45 73 LEU HD1 H 0.505 0.02 1 404 45 73 LEU HD2 H 0.192 0.02 1 405 45 73 LEU C C 179.9 0.2 1 406 45 73 LEU CA C 58.1 0.2 1 407 45 73 LEU CB C 40.22 0.2 1 408 45 73 LEU CG C 26.54 0.2 1 409 45 73 LEU CD1 C 25.39 0.2 2 410 45 73 LEU CD2 C 22.24 0.2 2 411 45 73 LEU N N 119.2 0.2 1 412 46 74 GLU H H 7.627 0.02 1 413 46 74 GLU HA H 3.929 0.02 1 414 46 74 GLU HB2 H 2.132 0.02 2 415 46 74 GLU HB3 H 1.982 0.02 2 416 46 74 GLU HG2 H 2.332 0.02 2 417 46 74 GLU HG3 H 2.108 0.02 2 418 46 74 GLU C C 179 0.2 1 419 46 74 GLU CA C 59.42 0.2 1 420 46 74 GLU CB C 29.21 0.2 1 421 46 74 GLU CG C 36.45 0.2 1 422 46 74 GLU N N 119.3 0.2 1 423 47 75 GLU H H 7.510 0.02 1 424 47 75 GLU HA H 3.985 0.02 1 425 47 75 GLU HB2 H 1.950 0.02 2 426 47 75 GLU HB3 H 1.857 0.02 2 427 47 75 GLU HG2 H 2.413 0.02 2 428 47 75 GLU HG3 H 2.165 0.02 2 429 47 75 GLU C C 180.1 0.2 1 430 47 75 GLU CA C 58.7 0.2 1 431 47 75 GLU CB C 28.5 0.2 1 432 47 75 GLU CG C 35.39 0.2 1 433 47 75 GLU N N 118.1 0.2 1 434 48 76 ILE H H 7.985 0.02 1 435 48 76 ILE HA H 3.300 0.02 1 436 48 76 ILE HB H 1.616 0.02 1 437 48 76 ILE HG12 H 0.103 0.02 2 438 48 76 ILE HG13 H 1.298 0.02 2 439 48 76 ILE HG2 H 0.237 0.02 1 440 48 76 ILE HD1 H 0.285 0.02 1 441 48 76 ILE C C 178.2 0.2 1 442 48 76 ILE CA C 65.51 0.2 1 443 48 76 ILE CB C 37.54 0.2 1 444 48 76 ILE CG1 C 28.92 0.2 1 445 48 76 ILE CG2 C 16.53 0.2 1 446 48 76 ILE CD1 C 14.11 0.2 1 447 48 76 ILE N N 119.3 0.2 1 448 49 77 GLU H H 7.672 0.02 1 449 49 77 GLU HA H 3.883 0.02 1 450 49 77 GLU HB2 H 2.027 0.02 1 451 49 77 GLU HB3 H 2.027 0.02 1 452 49 77 GLU HG2 H 2.287 0.02 1 453 49 77 GLU HG3 H 2.287 0.02 1 454 49 77 GLU C C 178.2 0.2 1 455 49 77 GLU CA C 58.79 0.2 1 456 49 77 GLU CB C 29.33 0.2 1 457 49 77 GLU CG C 35.74 0.2 1 458 49 77 GLU N N 119.4 0.2 1 459 50 78 LYS H H 7.382 0.02 1 460 50 78 LYS HA H 4.134 0.02 1 461 50 78 LYS HB2 H 1.850 0.02 2 462 50 78 LYS HB3 H 1.771 0.02 2 463 50 78 LYS HG2 H 1.531 0.02 2 464 50 78 LYS HG3 H 1.421 0.02 2 465 50 78 LYS HD2 H 1.597 0.02 1 466 50 78 LYS HD3 H 1.597 0.02 1 467 50 78 LYS HE2 H 2.831 0.02 1 468 50 78 LYS HE3 H 2.833 0.02 1 469 50 78 LYS C C 177.1 0.2 1 470 50 78 LYS CA C 57.21 0.2 1 471 50 78 LYS CB C 33.3 0.2 1 472 50 78 LYS CG C 25.13 0.2 1 473 50 78 LYS CD C 29.33 0.2 1 474 50 78 LYS CE C 42.16 0.2 1 475 50 78 LYS N N 115.5 0.2 1 476 51 79 SER H H 7.351 0.02 1 477 51 79 SER C C 175.6 0.2 1 478 51 79 SER CA C 58.94 0.2 1 479 51 79 SER CB C 64.24 0.2 1 480 51 79 SER N N 113.7 0.2 1 481 52 80 LYS H H 8.474 0.02 1 482 52 80 LYS HA H 4.456 0.02 1 483 52 80 LYS HB2 H 1.713 0.02 2 484 52 80 LYS HB3 H 2.037 0.02 2 485 52 80 LYS HG2 H 1.478 0.02 2 486 52 80 LYS HG3 H 1.421 0.02 2 487 52 80 LYS HD2 H 1.621 0.02 2 488 52 80 LYS HD3 H 1.664 0.02 2 489 52 80 LYS HE2 H 2.970 0.02 1 490 52 80 LYS HE3 H 2.969 0.02 1 491 52 80 LYS C C 176.4 0.2 1 492 52 80 LYS CA C 56.05 0.2 1 493 52 80 LYS CB C 31.61 0.2 1 494 52 80 LYS CG C 24.97 0.2 1 495 52 80 LYS CD C 29.08 0.2 1 496 52 80 LYS CE C 42.33 0.2 1 497 52 80 LYS N N 123.7 0.2 1 498 53 81 ALA H H 8.196 0.02 1 499 53 81 ALA HA H 4.151 0.02 1 500 53 81 ALA HB H 1.077 0.02 1 501 53 81 ALA C C 175.4 0.2 1 502 53 81 ALA CA C 52.2 0.2 1 503 53 81 ALA CB C 19.11 0.2 1 504 53 81 ALA N N 123.3 0.2 1 505 54 82 ASN H H 8.088 0.02 1 506 54 82 ASN HA H 4.962 0.02 1 507 54 82 ASN HB2 H 2.837 0.02 2 508 54 82 ASN HB3 H 2.696 0.02 2 509 54 82 ASN C C 174.4 0.2 1 510 54 82 ASN CA C 53.5 0.2 1 511 54 82 ASN CB C 41.07 0.2 1 512 54 82 ASN N N 113.0 0.2 1 513 55 83 HIS H H 7.373 0.02 1 514 55 83 HIS HA H 5.107 0.02 1 515 55 83 HIS HB2 H 3.140 0.02 2 516 55 83 HIS HB3 H 2.600 0.02 2 517 55 83 HIS C C 172.5 0.2 1 518 55 83 HIS CA C 54.53 0.2 1 519 55 83 HIS CB C 33.1 0.2 1 520 55 83 HIS N N 120.9 0.2 1 521 56 84 PHE H H 9.531 0.02 1 522 56 84 PHE HA H 5.142 0.02 1 523 56 84 PHE HB2 H 2.814 0.02 2 524 56 84 PHE HB3 H 2.717 0.02 2 525 56 84 PHE C C 174.2 0.2 1 526 56 84 PHE CA C 56.34 0.2 1 527 56 84 PHE CB C 43.05 0.2 1 528 56 84 PHE N N 126.6 0.2 1 529 57 85 LEU H H 8.983 0.02 1 530 57 85 LEU HA H 5.187 0.02 1 531 57 85 LEU HB2 H 1.596 0.02 2 532 57 85 LEU HB3 H 0.886 0.02 2 533 57 85 LEU HG H 1.535 0.02 1 534 57 85 LEU HD1 H 0.484 0.02 1 535 57 85 LEU HD2 H 0.315 0.02 1 536 57 85 LEU C C 176.4 0.2 1 537 57 85 LEU CA C 54.19 0.2 1 538 57 85 LEU CB C 47.32 0.2 1 539 57 85 LEU CG C 28.16 0.2 1 540 57 85 LEU CD1 C 27.3 0.2 2 541 57 85 LEU CD2 C 25.96 0.2 2 542 57 85 LEU N N 117.4 0.2 1 543 58 86 ILE H H 8.720 0.02 1 544 58 86 ILE HA H 4.273 0.02 1 545 58 86 ILE HB H 1.326 0.02 1 546 58 86 ILE HG12 H 1.810 0.02 2 547 58 86 ILE HG13 H 0.959 0.02 2 548 58 86 ILE HG2 H 0.673 0.02 1 549 58 86 ILE HD1 H 1.012 0.02 1 550 58 86 ILE C C 173.1 0.2 1 551 58 86 ILE CA C 61.06 0.2 1 552 58 86 ILE CB C 40.77 0.2 1 553 58 86 ILE CG1 C 29.21 0.2 1 554 58 86 ILE CG2 C 18.86 0.2 1 555 58 86 ILE CD1 C 15.43 0.2 1 556 58 86 ILE N N 124.4 0.2 1 557 59 87 LEU H H 8.574 0.02 1 558 59 87 LEU HA H 3.805 0.02 1 559 59 87 LEU HG H 1.209 0.02 1 560 59 87 LEU HD1 H 0.895 0.02 1 561 59 87 LEU HD2 H 0.406 0.02 1 562 59 87 LEU C C 175.9 0.2 1 563 59 87 LEU CA C 52.72 0.2 1 564 59 87 LEU CB C 43 0.2 1 565 59 87 LEU CG C 27.83 0.2 1 566 59 87 LEU CD1 C 27.25 0.2 2 567 59 87 LEU CD2 C 24 0.2 2 568 59 87 LEU N N 126.8 0.2 1 569 60 88 PHE H H 7.810 0.02 1 570 60 88 PHE HA H 5.288 0.02 1 571 60 88 PHE C C 176.4 0.2 1 572 60 88 PHE CA C 52.7 0.2 1 573 60 88 PHE CB C 41.3 0.2 1 574 60 88 PHE N N 125.7 0.2 1 575 61 89 ARG H H 8.276 0.02 1 576 61 89 ARG HA H 3.692 0.02 1 577 61 89 ARG HB2 H 1.169 0.02 2 578 61 89 ARG HB3 H 1.479 0.02 2 579 61 89 ARG HG2 H 1.182 0.02 2 580 61 89 ARG HG3 H 1.025 0.02 2 581 61 89 ARG HD2 H 2.044 0.02 2 582 61 89 ARG HD3 H 2.054 0.02 2 583 61 89 ARG C C 174.7 0.2 1 584 61 89 ARG CA C 57.43 0.2 1 585 61 89 ARG CB C 30.22 0.2 1 586 61 89 ARG CG C 26.39 0.2 1 587 61 89 ARG CD C 41.39 0.2 1 588 61 89 ARG N N 119.4 0.2 1 589 62 90 ASP H H 7.572 0.02 1 590 62 90 ASP C C 176 0.2 1 591 62 90 ASP CA C 53.89 0.2 1 592 62 90 ASP CB C 40.72 0.2 1 593 62 90 ASP N N 113.0 0.2 1 594 63 91 SER H H 8.277 0.02 1 595 63 91 SER HA H 4.037 0.02 1 596 63 91 SER HB2 H 3.894 0.02 2 597 63 91 SER HB3 H 4.088 0.02 2 598 63 91 SER C C 174.7 0.2 1 599 63 91 SER CA C 60.38 0.2 1 600 63 91 SER CB C 63.12 0.2 1 601 63 91 SER N N 111.5 0.2 1 602 64 92 SER H H 8.776 0.02 1 603 64 92 SER HA H 4.185 0.02 1 604 64 92 SER HB2 H 3.744 0.02 2 605 64 92 SER HB3 H 3.864 0.02 2 606 64 92 SER C C 174.8 0.2 1 607 64 92 SER CA C 60.24 0.2 1 608 64 92 SER CB C 63.15 0.2 1 609 64 92 SER N N 119.2 0.2 1 610 65 93 CYS H H 7.956 0.02 1 611 65 93 CYS HA H 2.782 0.02 4 612 65 93 CYS HB2 H 1.803 0.02 4 613 65 93 CYS HB3 H 1.538 0.02 2 614 65 93 CYS C C 172.7 0.2 1 615 65 93 CYS CA C 59.67 0.2 1 616 65 93 CYS CB C 24.37 0.2 1 617 65 93 CYS N N 112.2 0.2 1 618 66 94 GLN H H 7.707 0.02 1 619 66 94 GLN HA H 4.324 0.02 1 620 66 94 GLN HB2 H 1.859 0.02 2 621 66 94 GLN HB3 H 1.746 0.02 2 622 66 94 GLN HG2 H 2.267 0.02 2 623 66 94 GLN HG3 H 2.156 0.02 2 624 66 94 GLN C C 176.5 0.2 1 625 66 94 GLN CA C 55.07 0.2 1 626 66 94 GLN CB C 29.14 0.2 1 627 66 94 GLN CG C 33.86 0.2 1 628 66 94 GLN N N 116.8 0.2 1 629 67 95 PHE H H 9.033 0.02 1 630 67 95 PHE HA H 3.769 0.02 1 631 67 95 PHE HB2 H 2.954 0.02 1 632 67 95 PHE HB3 H 2.954 0.02 1 633 67 95 PHE C C 175.4 0.2 1 634 67 95 PHE CA C 61.4 0.2 1 635 67 95 PHE CB C 40.96 0.2 1 636 67 95 PHE N N 125.5 0.2 1 637 68 96 ARG H H 8.042 0.02 1 638 68 96 ARG HA H 4.431 0.02 1 639 68 96 ARG HB2 H 2.141 0.02 2 640 68 96 ARG HB3 H 1.399 0.02 2 641 68 96 ARG HG2 H 1.408 0.02 2 642 68 96 ARG HG3 H 1.284 0.02 2 643 68 96 ARG HD2 H 2.958 0.02 2 644 68 96 ARG HD3 H 3.234 0.02 2 645 68 96 ARG C C 174.4 0.2 1 646 68 96 ARG CA C 55.99 0.2 1 647 68 96 ARG CB C 32.5 0.2 1 648 68 96 ARG CG C 27.24 0.2 1 649 68 96 ARG CD C 42.93 0.2 1 650 68 96 ARG N N 124.3 0.2 1 651 69 97 ALA H H 7.250 0.02 1 652 69 97 ALA HA H 4.308 0.02 1 653 69 97 ALA HB H 1.282 0.02 1 654 69 97 ALA C C 173.2 0.2 1 655 69 97 ALA CA C 52.23 0.2 1 656 69 97 ALA CB C 23.45 0.2 1 657 69 97 ALA N N 118.4 0.2 1 658 70 98 LEU H H 8.583 0.02 1 659 70 98 LEU HA H 5.341 0.02 1 660 70 98 LEU HB2 H 1.781 0.02 2 661 70 98 LEU HB3 H 1.321 0.02 2 662 70 98 LEU HG H 1.793 0.02 1 663 70 98 LEU HD1 H 1.001 0.02 1 664 70 98 LEU HD2 H 0.813 0.02 1 665 70 98 LEU C C 174.4 0.2 1 666 70 98 LEU CA C 53 0.2 1 667 70 98 LEU CB C 47.86 0.2 1 668 70 98 LEU CG C 27.25 0.2 1 669 70 98 LEU CD1 C 25.5 0.2 2 670 70 98 LEU CD2 C 27.58 0.2 2 671 70 98 LEU N N 120.3 0.2 1 672 71 99 TYR H H 9.907 0.02 1 673 71 99 TYR HA H 5.138 0.02 1 674 71 99 TYR HB2 H 2.794 0.02 1 675 71 99 TYR HB3 H 2.794 0.02 1 676 71 99 TYR C C 175.3 0.2 1 677 71 99 TYR CA C 57.53 0.2 1 678 71 99 TYR CB C 43.9 0.2 1 679 71 99 TYR N N 126.5 0.2 1 680 72 100 THR H H 8.937 0.02 1 681 72 100 THR HA H 4.899 0.02 1 682 72 100 THR HB H 3.855 0.02 1 683 72 100 THR HG2 H 0.925 0.02 1 684 72 100 THR C C 173.1 0.2 1 685 72 100 THR CA C 59.51 0.2 1 686 72 100 THR CB C 71.16 0.2 1 687 72 100 THR CG2 C 22.61 0.2 1 688 72 100 THR N N 108.9 0.2 1 689 73 101 LEU H H 7.607 0.02 1 690 73 101 LEU HA H 4.599 0.02 1 691 73 101 LEU HB2 H 1.488 0.02 2 692 73 101 LEU HB3 H 1.031 0.02 2 693 73 101 LEU HG H 1.285 0.02 1 694 73 101 LEU HD1 H 0.550 0.02 1 695 73 101 LEU HD2 H 0.561 0.02 1 696 73 101 LEU C C 176.2 0.2 1 697 73 101 LEU CA C 54.07 0.2 1 698 73 101 LEU CB C 44.48 0.2 1 699 73 101 LEU CG C 27.46 0.2 1 700 73 101 LEU CD1 C 25.56 0.2 2 701 73 101 LEU CD2 C 23.98 0.2 2 702 73 101 LEU N N 122.1 0.2 1 703 74 102 SER H H 8.467 0.02 1 704 74 102 SER HA H 4.572 0.02 1 705 74 102 SER HB2 H 3.850 0.02 1 706 74 102 SER HB3 H 3.850 0.02 1 707 74 102 SER C C 174.9 0.2 1 708 74 102 SER CA C 57.44 0.2 1 709 74 102 SER CB C 64.17 0.2 1 710 74 102 SER N N 120.7 0.2 1 711 75 103 GLY H H 8.541 0.02 1 712 75 103 GLY C C 178.2 0.2 1 713 75 103 GLY CA C 46 0.2 1 714 75 103 GLY N N 111.9 0.2 1 715 76 104 GLU H H 8.438 0.02 1 716 76 104 GLU HA H 4.210 0.02 1 717 76 104 GLU HB2 H 2.012 0.02 2 718 76 104 GLU HB3 H 1.876 0.02 2 719 76 104 GLU HG2 H 2.171 0.02 1 720 76 104 GLU HG3 H 2.171 0.02 1 721 76 104 GLU C C 176.7 0.2 1 722 76 104 GLU CA C 57.65 0.2 1 723 76 104 GLU CB C 30.27 0.2 1 724 76 104 GLU CG C 36.47 0.2 1 725 76 104 GLU N N 119.2 0.2 1 726 77 105 THR H H 7.542 0.02 1 727 77 105 THR HA H 4.421 0.02 1 728 77 105 THR HB H 4.256 0.02 1 729 77 105 THR HG2 H 1.088 0.02 1 730 77 105 THR C C 173.9 0.2 1 731 77 105 THR CA C 60.56 0.2 1 732 77 105 THR CB C 70.12 0.2 1 733 77 105 THR CG2 C 20.98 0.2 1 734 77 105 THR N N 109.6 0.2 1 735 78 106 GLU H H 8.099 0.02 1 736 78 106 GLU HA H 4.022 0.02 1 737 78 106 GLU HB2 H 2.062 0.02 2 738 78 106 GLU HB3 H 1.894 0.02 2 739 78 106 GLU HG2 H 2.102 0.02 2 740 78 106 GLU HG3 H 2.055 0.02 2 741 78 106 GLU C C 174.9 0.2 1 742 78 106 GLU CA C 56.86 0.2 1 743 78 106 GLU CB C 29.28 0.2 1 744 78 106 GLU CG C 36.77 0.2 1 745 78 106 GLU N N 118.6 0.2 1 746 79 107 GLU H H 7.725 0.02 1 747 79 107 GLU HA H 4.194 0.02 1 748 79 107 GLU HB2 H 1.727 0.02 1 749 79 107 GLU HB3 H 1.727 0.02 1 750 79 107 GLU HG2 H 1.919 0.02 2 751 79 107 GLU HG3 H 2.113 0.02 2 752 79 107 GLU C C 175.5 0.2 1 753 79 107 GLU CA C 56.25 0.2 1 754 79 107 GLU CB C 31.2 0.2 1 755 79 107 GLU CG C 36.96 0.2 1 756 79 107 GLU N N 117.2 0.2 1 757 80 108 LEU H H 8.613 0.02 1 758 80 108 LEU HA H 4.891 0.02 1 759 80 108 LEU HB2 H 1.449 0.02 2 760 80 108 LEU HB3 H 1.156 0.02 2 761 80 108 LEU HG H 1.207 0.02 1 762 80 108 LEU HD1 H 0.176 0.02 1 763 80 108 LEU C C 176.7 0.2 1 764 80 108 LEU CA C 54.14 0.2 1 765 80 108 LEU CB C 43.21 0.2 1 766 80 108 LEU CG C 27.24 0.2 1 767 80 108 LEU CD1 C 26.29 0.2 2 768 80 108 LEU CD2 C 24.72 0.2 2 769 80 108 LEU N N 124.1 0.2 1 770 81 109 SER H H 8.635 0.02 1 771 81 109 SER HA H 5.127 0.02 1 772 81 109 SER HB2 H 3.683 0.02 2 773 81 109 SER HB3 H 3.580 0.02 2 774 81 109 SER C C 174.3 0.2 1 775 81 109 SER CA C 56.98 0.2 1 776 81 109 SER CB C 64.95 0.2 1 777 81 109 SER N N 117.1 0.2 1 778 82 110 ARG H H 8.556 0.02 1 779 82 110 ARG C C 175.3 0.2 1 780 82 110 ARG CA C 58.28 0.2 1 781 82 110 ARG CB C 30.8 0.2 1 782 82 110 ARG N N 129.0 0.2 1 783 83 111 LEU H H 9.414 0.02 1 784 83 111 LEU HA H 4.432 0.02 1 785 83 111 LEU HB2 H 1.407 0.02 1 786 83 111 LEU HB3 H 1.407 0.02 1 787 83 111 LEU HG H 1.465 0.02 1 788 83 111 LEU HD1 H 0.831 0.02 1 789 83 111 LEU HD2 H 1.002 0.02 1 790 83 111 LEU C C 175.8 0.2 1 791 83 111 LEU CA C 55.36 0.2 1 792 83 111 LEU CB C 44.6 0.2 1 793 83 111 LEU CG C 27.29 0.2 1 794 83 111 LEU CD1 C 25.34 0.2 2 795 83 111 LEU CD2 C 23.79 0.2 2 796 83 111 LEU N N 130.8 0.2 1 797 84 112 ALA H H 7.593 0.02 1 798 84 112 ALA HA H 4.536 0.02 1 799 84 112 ALA HB H 1.246 0.02 1 800 84 112 ALA C C 176 0.2 1 801 84 112 ALA CA C 51.39 0.2 1 802 84 112 ALA CB C 22.97 0.2 1 803 84 112 ALA N N 117.1 0.2 1 804 85 113 GLY H H 8.662 0.02 1 805 85 113 GLY C C 172.4 0.2 1 806 85 113 GLY CA C 44.31 0.2 1 807 85 113 GLY N N 107.8 0.2 1 808 86 114 TYR H H 7.879 0.02 1 809 86 114 TYR HA H 4.743 0.02 1 810 86 114 TYR HB2 H 2.947 0.02 2 811 86 114 TYR HB3 H 2.793 0.02 2 812 86 114 TYR C C 172.3 0.2 1 813 86 114 TYR CA C 56.54 0.2 1 814 86 114 TYR CB C 40.42 0.2 1 815 86 114 TYR N N 120.3 0.2 1 816 87 115 GLY H H 7.225 0.02 1 817 87 115 GLY CA C 44.2 0.2 1 818 87 115 GLY N N 108.4 0.2 1 819 89 117 ARG HA H 3.683 0.02 1 820 89 117 ARG HB2 H 1.858 0.02 1 821 89 117 ARG HB3 H 1.858 0.02 1 822 89 117 ARG HG2 H 1.687 0.02 2 823 89 117 ARG HG3 H 1.644 0.02 2 824 89 117 ARG HD2 H 3.167 0.02 1 825 89 117 ARG HD3 H 3.167 0.02 1 826 89 117 ARG C C 176 0.2 1 827 89 117 ARG CA C 60.5 0.2 1 828 89 117 ARG CB C 30.11 0.2 1 829 89 117 ARG CG C 27.6 0.2 1 830 89 117 ARG CD C 43.24 0.2 1 831 90 118 THR H H 7.503 0.02 1 832 90 118 THR HA H 5.201 0.02 1 833 90 118 THR HB H 3.713 0.02 1 834 90 118 THR HG2 H 1.016 0.02 1 835 90 118 THR C C 173.5 0.2 1 836 90 118 THR CA C 60.41 0.2 1 837 90 118 THR CB C 71.56 0.2 1 838 90 118 THR CG2 C 22.09 0.2 1 839 90 118 THR N N 110.7 0.2 1 840 91 119 VAL H H 8.599 0.02 1 841 91 119 VAL HA H 4.475 0.02 1 842 91 119 VAL HB H 1.390 0.02 1 843 91 119 VAL HG1 H 0.570 0.02 1 844 91 119 VAL HG2 H 0.490 0.02 1 845 91 119 VAL C C 174.9 0.2 1 846 91 119 VAL CA C 60.63 0.2 1 847 91 119 VAL CB C 34.53 0.2 1 848 91 119 VAL CG1 C 22.22 0.2 2 849 91 119 VAL CG2 C 22.47 0.2 2 850 91 119 VAL N N 124.3 0.2 1 851 92 120 THR H H 7.860 0.02 1 852 92 120 THR HB H 4.517 0.02 1 853 92 120 THR CA C 58.72 0.2 1 854 92 120 THR CB C 67.76 0.2 1 855 92 120 THR N N 119.8 0.2 1 856 93 121 PRO HA H 3.938 0.02 1 857 93 121 PRO HB2 H 2.254 0.02 2 858 93 121 PRO HB3 H 1.816 0.02 2 859 93 121 PRO HG2 H 2.074 0.02 2 860 93 121 PRO HG3 H 1.879 0.02 2 861 93 121 PRO HD2 H 3.746 0.02 2 862 93 121 PRO HD3 H 3.535 0.02 2 863 93 121 PRO C C 178.6 0.2 1 864 93 121 PRO CA C 66.12 0.2 1 865 93 121 PRO CB C 31.66 0.2 1 866 93 121 PRO CG C 28.14 0.2 1 867 93 121 PRO CD C 50.19 0.2 1 868 94 122 ALA H H 7.724 0.02 1 869 94 122 ALA HA H 4.061 0.02 1 870 94 122 ALA HB H 1.290 0.02 1 871 94 122 ALA C C 178.8 0.2 1 872 94 122 ALA CA C 53.96 0.2 1 873 94 122 ALA CB C 18.76 0.2 1 874 94 122 ALA N N 116.7 0.2 1 875 95 123 MET H H 7.786 0.02 1 876 95 123 MET HA H 4.013 0.02 1 877 95 123 MET HB2 H 2.046 0.02 1 878 95 123 MET HB3 H 2.046 0.02 1 879 95 123 MET HG2 H 2.605 0.02 2 880 95 123 MET HG3 H 2.473 0.02 2 881 95 123 MET HE H 2.088 0.02 1 882 95 123 MET C C 176 0.2 1 883 95 123 MET CA C 56.95 0.2 1 884 95 123 MET CB C 34.94 0.2 1 885 95 123 MET CG C 31.49 0.2 1 886 95 123 MET CE C 16.37 0.2 1 887 95 123 MET N N 114.6 0.2 1 888 96 124 VAL H H 7.008 0.02 1 889 96 124 VAL HA H 3.758 0.02 1 890 96 124 VAL HB H 1.985 0.02 1 891 96 124 VAL HG1 H 0.831 0.02 1 892 96 124 VAL HG2 H 0.573 0.02 1 893 96 124 VAL C C 175.3 0.2 1 894 96 124 VAL CA C 64.52 0.2 1 895 96 124 VAL CB C 32.41 0.2 1 896 96 124 VAL CG1 C 22.01 0.2 2 897 96 124 VAL CG2 C 22.66 0.2 2 898 96 124 VAL N N 118.9 0.2 1 899 97 125 GLU H H 9.123 0.02 1 900 97 125 GLU HA H 4.454 0.02 1 901 97 125 GLU HB2 H 1.838 0.02 2 902 97 125 GLU HB3 H 1.483 0.02 2 903 97 125 GLU HG2 H 2.062 0.02 1 904 97 125 GLU HG3 H 2.060 0.02 1 905 97 125 GLU C C 174.6 0.2 1 906 97 125 GLU CA C 56.9 0.2 1 907 97 125 GLU CB C 31.14 0.2 1 908 97 125 GLU CG C 36.28 0.2 1 909 97 125 GLU N N 130.3 0.2 1 910 98 126 GLY H H 7.837 0.02 1 911 98 126 GLY C C 171 0.2 1 912 98 126 GLY CA C 43.98 0.2 1 913 98 126 GLY N N 109.1 0.2 1 914 99 127 ILE H H 8.342 0.02 1 915 99 127 ILE HA H 5.178 0.02 1 916 99 127 ILE HB H 1.933 0.02 1 917 99 127 ILE HG12 H 1.638 0.02 2 918 99 127 ILE HG13 H 0.989 0.02 2 919 99 127 ILE HG2 H 0.899 0.02 1 920 99 127 ILE HD1 H 0.664 0.02 1 921 99 127 ILE C C 175.1 0.2 1 922 99 127 ILE CA C 60.43 0.2 1 923 99 127 ILE CB C 42.15 0.2 1 924 99 127 ILE CG1 C 26.13 0.2 1 925 99 127 ILE CG2 C 20.07 0.2 1 926 99 127 ILE CD1 C 14.05 0.2 1 927 99 127 ILE N N 113.7 0.2 1 928 100 128 TYR H H 8.791 0.02 1 929 100 128 TYR HA H 5.422 0.02 1 930 100 128 TYR HB2 H 3.007 0.02 2 931 100 128 TYR HB3 H 2.710 0.02 2 932 100 128 TYR C C 174.7 0.2 1 933 100 128 TYR CA C 57.28 0.2 1 934 100 128 TYR CB C 44.43 0.2 1 935 100 128 TYR N N 117.7 0.2 1 936 101 129 LYS H H 9.315 0.02 1 937 101 129 LYS HA H 5.171 0.02 1 938 101 129 LYS HB2 H 1.963 0.02 1 939 101 129 LYS HB3 H 1.963 0.02 1 940 101 129 LYS HG2 H 1.552 0.02 2 941 101 129 LYS HG3 H 1.482 0.02 2 942 101 129 LYS HD2 H 1.783 0.02 2 943 101 129 LYS HD3 H 1.685 0.02 2 944 101 129 LYS HE2 H 3.037 0.02 1 945 101 129 LYS HE3 H 3.038 0.02 1 946 101 129 LYS C C 175.5 0.2 1 947 101 129 LYS CA C 54.38 0.2 1 948 101 129 LYS CB C 36.69 0.2 1 949 101 129 LYS CG C 24.42 0.2 1 950 101 129 LYS CD C 29.43 0.2 1 951 101 129 LYS CE C 42.29 0.2 1 952 101 129 LYS N N 121.1 0.2 1 953 102 130 TYR H H 11.14 0.02 1 954 102 130 TYR HA H 4.099 0.02 1 955 102 130 TYR HB2 H 2.603 0.02 2 956 102 130 TYR HB3 H 2.213 0.02 2 957 102 130 TYR C C 174.1 0.2 1 958 102 130 TYR CA C 58.14 0.2 1 959 102 130 TYR CB C 38.6 0.2 1 960 102 130 TYR N N 128.4 0.2 1 961 103 131 ASN H H 7.854 0.02 1 962 103 131 ASN CA C 51.67 0.2 1 963 103 131 ASN CB C 39.07 0.2 1 964 103 131 ASN N N 127.2 0.2 1 965 104 132 SER C C 176.6 0.2 1 966 104 132 SER CA C 60.86 0.2 1 967 104 132 SER CB C 63.18 0.2 1 968 105 133 ASP H H 8.031 0.02 1 969 105 133 ASP HA H 4.295 0.02 1 970 105 133 ASP HB2 H 2.607 0.02 1 971 105 133 ASP HB3 H 2.607 0.02 1 972 105 133 ASP C C 177.5 0.2 1 973 105 133 ASP CA C 56.82 0.2 1 974 105 133 ASP CB C 40.52 0.2 1 975 105 133 ASP N N 120.7 0.2 1 976 106 134 ARG H H 7.396 0.02 1 977 106 134 ARG HA H 4.121 0.02 1 978 106 134 ARG HB2 H 1.755 0.02 2 979 106 134 ARG HB3 H 1.094 0.02 2 980 106 134 ARG HG2 H 1.511 0.02 2 981 106 134 ARG HG3 H 1.402 0.02 2 982 106 134 ARG HD2 H 3.002 0.02 1 983 106 134 ARG HD3 H 3.001 0.02 1 984 106 134 ARG C C 175.1 0.2 1 985 106 134 ARG CA C 55.21 0.2 1 986 106 134 ARG CB C 31.12 0.2 1 987 106 134 ARG CG C 27.08 0.2 1 988 106 134 ARG CD C 42.99 0.2 1 989 106 134 ARG N N 115.6 0.2 1 990 107 135 LYS H H 7.660 0.02 1 991 107 135 LYS HA H 3.784 0.02 1 992 107 135 LYS HB2 H 1.989 0.02 2 993 107 135 LYS HB3 H 1.669 0.02 2 994 107 135 LYS HG2 H 1.233 0.02 2 995 107 135 LYS HG3 H 1.140 0.02 2 996 107 135 LYS HD2 H 1.545 0.02 2 997 107 135 LYS HD3 H 1.466 0.02 2 998 107 135 LYS HE2 H 2.732 0.02 2 999 107 135 LYS HE3 H 2.691 0.02 2 1000 107 135 LYS C C 174.7 0.2 1 1001 107 135 LYS CA C 56.58 0.2 1 1002 107 135 LYS CB C 29.31 0.2 1 1003 107 135 LYS CG C 24.67 0.2 1 1004 107 135 LYS CD C 29.04 0.2 1 1005 107 135 LYS CE C 42.2 0.2 1 1006 107 135 LYS N N 117.2 0.2 1 1007 108 136 ARG H H 6.950 0.02 1 1008 108 136 ARG HA H 4.833 0.02 1 1009 108 136 ARG HB2 H 1.838 0.02 2 1010 108 136 ARG HB3 H 1.617 0.02 2 1011 108 136 ARG HG2 H 1.378 0.02 1 1012 108 136 ARG HG3 H 1.378 0.02 1 1013 108 136 ARG HD2 H 3.147 0.02 2 1014 108 136 ARG HD3 H 3.099 0.02 2 1015 108 136 ARG C C 174.2 0.2 1 1016 108 136 ARG CA C 54.07 0.2 1 1017 108 136 ARG CB C 34.16 0.2 1 1018 108 136 ARG CG C 25.87 0.2 1 1019 108 136 ARG CD C 43.45 0.2 1 1020 108 136 ARG N N 112.5 0.2 1 1021 109 137 PHE H H 9.136 0.02 1 1022 109 137 PHE C C 176 0.2 1 1023 109 137 PHE CA C 57.61 0.2 1 1024 109 137 PHE CB C 41.64 0.2 1 1025 109 137 PHE N N 119.4 0.2 1 1026 110 138 THR H H 9.371 0.02 1 1027 110 138 THR HA H 4.720 0.02 1 1028 110 138 THR HB H 4.029 0.02 1 1029 110 138 THR HG2 H 1.125 0.02 1 1030 110 138 THR C C 173.5 0.2 1 1031 110 138 THR CA C 60.8 0.2 1 1032 110 138 THR CB C 71.35 0.2 1 1033 110 138 THR CG2 C 21.62 0.2 1 1034 110 138 THR N N 116.1 0.2 1 1035 111 139 GLN H H 9.145 0.02 1 1036 111 139 GLN HA H 3.921 0.02 1 1037 111 139 GLN HB2 H 1.800 0.02 2 1038 111 139 GLN HB3 H 1.734 0.02 2 1039 111 139 GLN HG2 H 1.957 0.02 2 1040 111 139 GLN HG3 H 1.809 0.02 2 1041 111 139 GLN C C 175.8 0.2 1 1042 111 139 GLN CA C 56.58 0.2 1 1043 111 139 GLN CB C 28.2 0.2 1 1044 111 139 GLN CG C 33.36 0.2 1 1045 111 139 GLN N N 128.2 0.2 1 1046 112 140 ILE H H 8.583 0.02 1 1047 112 140 ILE HA H 4.458 0.02 1 1048 112 140 ILE HB H 1.671 0.02 1 1049 112 140 ILE HG12 H 1.488 0.02 2 1050 112 140 ILE HG13 H 0.995 0.02 2 1051 112 140 ILE HG2 H 0.879 0.02 1 1052 112 140 ILE HD1 H 0.786 0.02 1 1053 112 140 ILE CA C 58.19 0.2 1 1054 112 140 ILE CB C 39.44 0.2 1 1055 112 140 ILE CG1 C 27.21 0.2 1 1056 112 140 ILE CG2 C 17.37 0.2 1 1057 112 140 ILE CD1 C 14.47 0.2 1 1058 112 140 ILE N N 128.7 0.2 1 1059 113 141 PRO HA H 4.481 0.02 1 1060 113 141 PRO HB2 H 2.001 0.02 1 1061 113 141 PRO HB3 H 2.001 0.02 1 1062 113 141 PRO HG2 H 1.927 0.02 1 1063 113 141 PRO HG3 H 1.927 0.02 1 1064 113 141 PRO HD2 H 3.771 0.02 2 1065 113 141 PRO HD3 H 3.785 0.02 2 1066 113 141 PRO C C 175.8 0.2 1 1067 113 141 PRO CA C 63.15 0.2 1 1068 113 141 PRO CB C 30.33 0.2 1 1069 113 141 PRO CG C 27.35 0.2 1 1070 113 141 PRO CD C 50.94 0.2 1 1071 114 142 ALA H H 7.901 0.02 1 1072 114 142 ALA HA H 4.266 0.02 1 1073 114 142 ALA HB H 1.294 0.02 1 1074 114 142 ALA C C 176.4 0.2 1 1075 114 142 ALA CA C 52.23 0.2 1 1076 114 142 ALA CB C 20.34 0.2 1 1077 114 142 ALA N N 123.2 0.2 1 1078 115 143 LYS H H 8.215 0.02 1 1079 115 143 LYS HA H 4.221 0.02 1 1080 115 143 LYS HB2 H 1.846 0.02 2 1081 115 143 LYS HB3 H 1.614 0.02 2 1082 115 143 LYS HG2 H 1.306 0.02 1 1083 115 143 LYS HG3 H 1.303 0.02 1 1084 115 143 LYS HD2 H 1.556 0.02 1 1085 115 143 LYS HD3 H 1.556 0.02 1 1086 115 143 LYS HE2 H 2.901 0.02 1 1087 115 143 LYS HE3 H 2.900 0.02 1 1088 115 143 LYS C C 175.8 0.2 1 1089 115 143 LYS CA C 56.1 0.2 1 1090 115 143 LYS CB C 32.88 0.2 1 1091 115 143 LYS CG C 24.69 0.2 1 1092 115 143 LYS CD C 29.07 0.2 1 1093 115 143 LYS CE C 42.11 0.2 1 1094 115 143 LYS N N 117.3 0.2 1 1095 116 144 THR H H 7.260 0.02 1 1096 116 144 THR HA H 4.212 0.02 1 1097 116 144 THR HB H 3.958 0.02 1 1098 116 144 THR HG2 H 1.078 0.02 1 1099 116 144 THR C C 173.4 0.2 1 1100 116 144 THR CA C 61.04 0.2 1 1101 116 144 THR CB C 70.21 0.2 1 1102 116 144 THR CG2 C 21.27 0.2 1 1103 116 144 THR N N 113.8 0.2 1 1104 117 145 MET H H 8.554 0.02 1 1105 117 145 MET HA H 4.315 0.02 1 1106 117 145 MET HB2 H 1.894 0.02 2 1107 117 145 MET HB3 H 1.798 0.02 2 1108 117 145 MET HG2 H 2.444 0.02 2 1109 117 145 MET HG3 H 2.320 0.02 2 1110 117 145 MET HE H 1.574 0.02 1 1111 117 145 MET C C 175 0.2 1 1112 117 145 MET CA C 55.2 0.2 1 1113 117 145 MET CB C 31.73 0.2 1 1114 117 145 MET CG C 32.08 0.2 1 1115 117 145 MET CE C 16.47 0.2 1 1116 117 145 MET N N 123.4 0.2 1 1117 118 146 SER H H 7.336 0.02 1 1118 118 146 SER C C 173.9 0.2 1 1119 118 146 SER CA C 57.63 0.2 1 1120 118 146 SER CB C 65.2 0.2 1 1121 118 146 SER N N 116.1 0.2 1 1122 119 147 MET H H 8.356 0.02 1 1123 119 147 MET HA H 3.714 0.02 1 1124 119 147 MET HB2 H 1.918 0.02 2 1125 119 147 MET HB3 H 1.852 0.02 2 1126 119 147 MET HG2 H 2.469 0.02 2 1127 119 147 MET HG3 H 2.305 0.02 2 1128 119 147 MET HE H 1.831 0.02 1 1129 119 147 MET C C 175.3 0.2 1 1130 119 147 MET CA C 56.05 0.2 1 1131 119 147 MET CB C 31.85 0.2 1 1132 119 147 MET CG C 32.46 0.2 1 1133 119 147 MET CE C 16.96 0.2 1 1134 119 147 MET N N 117.7 0.2 1 1135 120 148 SER H H 7.855 0.02 1 1136 120 148 SER HA H 4.434 0.02 1 1137 120 148 SER C C 172.9 0.2 1 1138 120 148 SER CA C 58.68 0.2 1 1139 120 148 SER CB C 63.52 0.2 1 1140 120 148 SER N N 113.4 0.2 1 1141 121 149 VAL H H 7.478 0.02 1 1142 121 149 VAL HA H 3.992 0.02 1 1143 121 149 VAL HB H 2.288 0.02 1 1144 121 149 VAL HG1 H 1.164 0.02 1 1145 121 149 VAL HG2 H 1.045 0.02 1 1146 121 149 VAL C C 174.4 0.2 1 1147 121 149 VAL CA C 62.83 0.2 1 1148 121 149 VAL CB C 33.14 0.2 1 1149 121 149 VAL CG1 C 23.29 0.2 2 1150 121 149 VAL CG2 C 22.13 0.2 2 1151 121 149 VAL N N 119.0 0.2 1 1152 122 150 ASP H H 8.578 0.02 1 1153 122 150 ASP HA H 5.297 0.02 1 1154 122 150 ASP HB2 H 2.898 0.02 2 1155 122 150 ASP HB3 H 2.505 0.02 2 1156 122 150 ASP C C 175.1 0.2 1 1157 122 150 ASP CA C 55.5 0.2 1 1158 122 150 ASP CB C 45.86 0.2 1 1159 122 150 ASP N N 121.6 0.2 1 1160 123 151 ALA H H 8.322 0.02 1 1161 123 151 ALA HA H 5.327 0.02 1 1162 123 151 ALA HB H 0.563 0.02 1 1163 123 151 ALA C C 174.3 0.2 1 1164 123 151 ALA CA C 51.4 0.2 1 1165 123 151 ALA CB C 25.41 0.2 1 1166 123 151 ALA N N 119.4 0.2 1 1167 124 152 PHE H H 8.837 0.02 1 1168 124 152 PHE C C 171.8 0.2 1 1169 124 152 PHE CA C 56.03 0.2 1 1170 124 152 PHE CB C 41.14 0.2 1 1171 124 152 PHE N N 115.9 0.2 1 1172 125 153 THR H H 8.883 0.02 1 1173 125 153 THR HA H 4.568 0.02 1 1174 125 153 THR HB H 4.487 0.02 1 1175 125 153 THR HG2 H 1.004 0.02 1 1176 125 153 THR C C 176 0.2 1 1177 125 153 THR CA C 58.72 0.2 1 1178 125 153 THR CB C 71.92 0.2 1 1179 125 153 THR CG2 C 23.66 0.2 1 1180 125 153 THR N N 107.3 0.2 1 1181 126 154 ILE H H 9.057 0.02 1 1182 126 154 ILE HA H 5.221 0.02 1 1183 126 154 ILE HB H 1.851 0.02 1 1184 126 154 ILE HG12 H 1.097 0.02 2 1185 126 154 ILE HG13 H 1.006 0.02 2 1186 126 154 ILE HG2 H 0.706 0.02 1 1187 126 154 ILE C C 175.3 0.2 1 1188 126 154 ILE CA C 59.28 0.2 1 1189 126 154 ILE CB C 41.55 0.2 1 1190 126 154 ILE CG1 C 23.92 0.2 1 1191 126 154 ILE CG2 C 17.99 0.2 1 1192 126 154 ILE CD1 C 12.83 0.2 1 1193 126 154 ILE N N 114.3 0.2 1 1194 127 155 GLN H H 7.794 0.02 1 1195 127 155 GLN HA H 4.060 0.02 1 1196 127 155 GLN HB2 H 2.132 0.02 2 1197 127 155 GLN HB3 H 1.639 0.02 2 1198 127 155 GLN HG2 H 2.408 0.02 2 1199 127 155 GLN HG3 H 2.309 0.02 2 1200 127 155 GLN C C 178.5 0.2 1 1201 127 155 GLN CA C 57.11 0.2 1 1202 127 155 GLN CB C 28.96 0.2 1 1203 127 155 GLN CG C 33.5 0.2 1 1204 127 155 GLN N N 118.9 0.2 1 1205 128 156 GLY H H 8.742 0.02 1 1206 128 156 GLY CA C 48.22 0.2 1 1207 128 156 GLY N N 108.9 0.2 1 1208 129 157 HIS HA H 4.525 0.02 1 1209 129 157 HIS HB2 H 3.216 0.02 2 1210 129 157 HIS HB3 H 2.946 0.02 2 1211 129 157 HIS C C 176.8 0.2 1 1212 129 157 HIS CA C 57.81 0.2 1 1213 129 157 HIS CB C 29.64 0.2 1 1214 130 158 LEU H H 7.438 0.02 1 1215 130 158 LEU HA H 3.942 0.02 1 1216 130 158 LEU HB2 H 1.413 0.02 2 1217 130 158 LEU HB3 H 1.009 0.02 2 1218 130 158 LEU HG H 0.661 0.02 1 1219 130 158 LEU HD1 H 0.843 0.02 1 1220 130 158 LEU HD2 H 0.670 0.02 1 1221 130 158 LEU C C 177.9 0.2 1 1222 130 158 LEU CA C 55.52 0.2 1 1223 130 158 LEU CB C 41.06 0.2 1 1224 130 158 LEU CG C 26.76 0.2 1 1225 130 158 LEU CD1 C 26.71 0.2 2 1226 130 158 LEU CD2 C 22.37 0.2 2 1227 130 158 LEU N N 120.8 0.2 1 1228 131 159 TRP H H 7.291 0.02 1 1229 131 159 TRP C C 176.3 0.2 1 1230 131 159 TRP CA C 57.3 0.2 1 1231 131 159 TRP CB C 29.8 0.2 1 1232 131 159 TRP N N 118.4 0.2 1 1233 132 160 GLN H H 7.790 0.02 1 1234 132 160 GLN CA C 55.8 0.2 1 1235 132 160 GLN N N 119.8 0.2 1 1236 136 164 PRO CA C 63.07 0.2 1 1237 136 164 PRO CB C 32.12 0.2 1 1238 137 165 THR H H 8.266 0.02 1 1239 137 165 THR HA H 4.271 0.02 1 1240 137 165 THR HB H 4.108 0.02 1 1241 137 165 THR CA C 61.85 0.2 1 1242 137 165 THR CB C 69.84 0.2 1 1243 137 165 THR N N 115.2 0.2 1 1244 138 166 THR H H 8.142 0.02 1 1245 138 166 THR CA C 59.82 0.2 1 1246 138 166 THR CB C 69.44 0.2 1 1247 138 166 THR N N 119.2 0.2 1 1248 140 168 LYS CA C 56.68 0.2 1 1249 140 168 LYS CB C 30.53 0.2 1 1250 141 169 LYS H H 8.092 0.02 1 1251 141 169 LYS CA C 55.64 0.2 1 1252 141 169 LYS CB C 32.73 0.2 1 1253 141 169 LYS N N 121.3 0.2 1 1254 142 170 GLY H H 8.370 0.02 1 1255 142 170 GLY CA C 45.36 0.2 1 1256 142 170 GLY N N 110.0 0.2 1 1257 143 171 GLY H H 8.234 0.02 1 1258 143 171 GLY CA C 45.37 0.2 1 1259 143 171 GLY N N 108.6 0.2 1 1260 144 172 GLY H H 8.276 0.02 1 1261 144 172 GLY CA C 44.98 0.2 1 1262 144 172 GLY N N 108.8 0.2 1 1263 145 173 THR H H 8.076 0.02 1 1264 145 173 THR CA C 59.92 0.2 1 1265 145 173 THR CB C 69.69 0.2 1 1266 145 173 THR N N 116.6 0.2 1 1267 146 174 PRO CA C 63.52 0.2 1 1268 146 174 PRO CB C 32.03 0.2 1 1269 147 175 LYS H H 7.924 0.02 1 1270 147 175 LYS CA C 57.74 0.2 1 1271 147 175 LYS CB C 33.75 0.2 1 1272 147 175 LYS N N 127.0 0.2 1 stop_ save_