data_25802 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance assignments of [15N, 13C] human DCL-1 (CD302) extracellular domain ; _BMRB_accession_number 25802 _BMRB_flat_file_name bmr25802.str _Entry_type original _Submission_date 2015-09-09 _Accession_date 2015-09-09 _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 Pospisilova Eliska . . 2 Kavan Daniel . . 3 Novak Petr . . 4 Chmelik Josef . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 832 "13C chemical shifts" 627 "15N chemical shifts" 151 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-01-06 original BMRB . stop_ _Original_release_date 2016-01-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C and 15N resonance assignments of human DCL-1 (CD302) extracellular domain ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26725057 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pospisilova Eliska . . 2 Kavan Daniel . . 3 Novak Petr . . 4 Chmelik Josef . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 10 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 189 _Page_last 192 _Year 2016 _Details . loop_ _Keyword 'C-type lectin like receptor' 'DCL-1 (CD302)' 'heteronuclear NMR spectroscopy' 'protein NMR' 'resonance assignment' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CD302 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CD302 $CD302 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_CD302 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CD302 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 140 _Mol_residue_sequence ; MDCPSSTWIQFQDSCYIFLQ EAIKVESIEDVRNQCTDHGA DMISIHNEEENAFILDTLKK QWKGPDDILLGMFYDTDDAS FKWFDNSNMTFDKWTDQDDD EDLVDTCAFLHIKTGEWKKG NCEVSSVEGTLCKTAIPYKR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 22 MET 2 23 ASP 3 24 CYS 4 25 PRO 5 26 SER 6 27 SER 7 28 THR 8 29 TRP 9 30 ILE 10 31 GLN 11 32 PHE 12 33 GLN 13 34 ASP 14 35 SER 15 36 CYS 16 37 TYR 17 38 ILE 18 39 PHE 19 40 LEU 20 41 GLN 21 42 GLU 22 43 ALA 23 44 ILE 24 45 LYS 25 46 VAL 26 47 GLU 27 48 SER 28 49 ILE 29 50 GLU 30 51 ASP 31 52 VAL 32 53 ARG 33 54 ASN 34 55 GLN 35 56 CYS 36 57 THR 37 58 ASP 38 59 HIS 39 60 GLY 40 61 ALA 41 62 ASP 42 63 MET 43 64 ILE 44 65 SER 45 66 ILE 46 67 HIS 47 68 ASN 48 69 GLU 49 70 GLU 50 71 GLU 51 72 ASN 52 73 ALA 53 74 PHE 54 75 ILE 55 76 LEU 56 77 ASP 57 78 THR 58 79 LEU 59 80 LYS 60 81 LYS 61 82 GLN 62 83 TRP 63 84 LYS 64 85 GLY 65 86 PRO 66 87 ASP 67 88 ASP 68 89 ILE 69 90 LEU 70 91 LEU 71 92 GLY 72 93 MET 73 94 PHE 74 95 TYR 75 96 ASP 76 97 THR 77 98 ASP 78 99 ASP 79 100 ALA 80 101 SER 81 102 PHE 82 103 LYS 83 104 TRP 84 105 PHE 85 106 ASP 86 107 ASN 87 108 SER 88 109 ASN 89 110 MET 90 111 THR 91 112 PHE 92 113 ASP 93 114 LYS 94 115 TRP 95 116 THR 96 117 ASP 97 118 GLN 98 119 ASP 99 120 ASP 100 121 ASP 101 122 GLU 102 123 ASP 103 124 LEU 104 125 VAL 105 126 ASP 106 127 THR 107 128 CYS 108 129 ALA 109 130 PHE 110 131 LEU 111 132 HIS 112 133 ILE 113 134 LYS 114 135 THR 115 136 GLY 116 137 GLU 117 138 TRP 118 139 LYS 119 140 LYS 120 141 GLY 121 142 ASN 122 143 CYS 123 144 GLU 124 145 VAL 125 146 SER 126 147 SER 127 148 VAL 128 149 GLU 129 150 GLY 130 151 THR 131 152 LEU 132 153 CYS 133 154 LYS 134 155 THR 135 156 ALA 136 157 ILE 137 158 PRO 138 159 TYR 139 160 LYS 140 161 ARG 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 UNP Q8IX05 'CD302 antigen' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $CD302 human 9606 Eukaryota Metazoa Homo sapiens CD302 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 $CD302 'recombinant technology' . Escherichia coli BL21-Gold(DE3) pET-30a(+) 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 $CD302 0.5 mM '[U-100% 13C; U-100% 15N]' PIPES 25 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ 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 III' _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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_H(CC)(CO)NH_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CC)(CO)NH' _Sample_label $sample_1 save_ save_3D_(H)CC(CO)NH_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CC(CO)NH' _Sample_label $sample_1 save_ save_2D_(HB)CB(CGCD)HD_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_aromatic_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY aromatic' _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 pH 6.5 . pH pressure 1 . atm temperature 303.15 . 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_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HN(CA)CO' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D 1H-15N TOCSY' '3D H(CC)(CO)NH' '3D (H)CC(CO)NH' '2D (HB)CB(CGCD)HD' '3D HCCH-TOCSY' '3D HCCH-TOCSY aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CD302 _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 23 2 ASP HA H 4.735 0.005 1 2 23 2 ASP HB2 H 2.443 0.010 2 3 23 2 ASP HB3 H 2.690 0.008 2 4 23 2 ASP C C 175.780 0.004 1 5 23 2 ASP CA C 55.078 0.051 1 6 23 2 ASP CB C 42.245 0.093 1 7 24 3 CYS H H 7.994 0.004 1 8 24 3 CYS HA H 4.847 0.009 1 9 24 3 CYS HB2 H 2.846 0.005 2 10 24 3 CYS HB3 H 2.886 0.009 2 11 24 3 CYS C C 173.262 0.000 1 12 24 3 CYS CA C 52.661 0.070 1 13 24 3 CYS CB C 38.285 0.100 1 14 24 3 CYS N N 116.251 0.102 1 15 25 4 PRO HA H 3.965 0.002 1 16 25 4 PRO HB2 H 1.369 0.006 2 17 25 4 PRO HB3 H 2.252 0.004 2 18 25 4 PRO HG2 H 0.848 0.005 2 19 25 4 PRO HG3 H 1.442 0.006 2 20 25 4 PRO HD2 H 1.675 0.007 2 21 25 4 PRO HD3 H 3.127 0.009 2 22 25 4 PRO C C 176.227 0.003 1 23 25 4 PRO CA C 65.976 0.070 1 24 25 4 PRO CB C 32.127 0.075 1 25 25 4 PRO CG C 27.461 0.103 1 26 25 4 PRO CD C 49.837 0.070 1 27 26 5 SER H H 6.957 0.006 1 28 26 5 SER HA H 4.741 0.007 1 29 26 5 SER HB2 H 4.112 0.004 2 30 26 5 SER HB3 H 4.348 0.004 2 31 26 5 SER C C 175.168 0.000 1 32 26 5 SER CA C 57.179 0.031 1 33 26 5 SER CB C 65.819 0.038 1 34 26 5 SER N N 106.471 0.050 1 35 27 6 SER HA H 4.513 0.002 1 36 27 6 SER HB2 H 4.044 0.003 2 37 27 6 SER HB3 H 4.219 0.004 2 38 27 6 SER C C 174.478 0.000 1 39 27 6 SER CA C 60.648 0.063 1 40 27 6 SER CB C 63.329 0.068 1 41 28 7 THR H H 8.192 0.004 1 42 28 7 THR HA H 4.289 0.006 1 43 28 7 THR HB H 4.104 0.004 1 44 28 7 THR HG2 H 1.269 0.004 1 45 28 7 THR C C 175.148 0.011 1 46 28 7 THR CA C 63.876 0.066 1 47 28 7 THR CB C 69.184 0.051 1 48 28 7 THR CG2 C 22.840 0.102 1 49 28 7 THR N N 115.026 0.096 1 50 29 8 TRP H H 7.586 0.005 1 51 29 8 TRP HA H 4.878 0.015 1 52 29 8 TRP HB2 H 3.288 0.012 1 53 29 8 TRP HB3 H 3.288 0.012 1 54 29 8 TRP HD1 H 7.731 0.005 1 55 29 8 TRP HE1 H 10.572 0.005 1 56 29 8 TRP HE3 H 7.202 0.007 1 57 29 8 TRP HZ2 H 7.528 0.008 1 58 29 8 TRP HZ3 H 6.847 0.011 1 59 29 8 TRP HH2 H 7.276 0.003 1 60 29 8 TRP C C 175.787 0.005 1 61 29 8 TRP CA C 57.449 0.036 1 62 29 8 TRP CB C 30.213 0.063 1 63 29 8 TRP CD1 C 128.279 0.125 1 64 29 8 TRP CE3 C 120.596 0.167 1 65 29 8 TRP CZ2 C 114.620 0.102 1 66 29 8 TRP CZ3 C 124.085 0.076 1 67 29 8 TRP CH2 C 124.891 0.047 1 68 29 8 TRP N N 121.434 0.053 1 69 29 8 TRP NE1 N 132.468 0.100 1 70 30 9 ILE H H 9.896 0.005 1 71 30 9 ILE HA H 4.636 0.007 1 72 30 9 ILE HB H 2.041 0.009 1 73 30 9 ILE HG12 H 1.358 0.011 2 74 30 9 ILE HG13 H 1.762 0.004 2 75 30 9 ILE HG2 H 1.184 0.005 1 76 30 9 ILE HD1 H 0.741 0.005 1 77 30 9 ILE C C 175.357 0.014 1 78 30 9 ILE CA C 60.657 0.092 1 79 30 9 ILE CB C 41.224 0.087 1 80 30 9 ILE CG1 C 27.920 0.070 1 81 30 9 ILE CG2 C 18.294 0.054 1 82 30 9 ILE CD1 C 13.277 0.067 1 83 30 9 ILE N N 121.995 0.062 1 84 31 10 GLN H H 8.981 0.004 1 85 31 10 GLN HA H 5.350 0.008 1 86 31 10 GLN HB2 H 2.152 0.009 1 87 31 10 GLN HB3 H 2.152 0.009 1 88 31 10 GLN HG2 H 2.278 0.004 2 89 31 10 GLN HG3 H 2.388 0.009 2 90 31 10 GLN HE21 H 7.279 0.002 2 91 31 10 GLN HE22 H 7.199 0.005 2 92 31 10 GLN C C 175.394 0.001 1 93 31 10 GLN CA C 55.570 0.049 1 94 31 10 GLN CB C 30.690 0.054 1 95 31 10 GLN CG C 34.111 0.084 1 96 31 10 GLN N N 129.042 0.050 1 97 31 10 GLN NE2 N 111.242 0.190 1 98 32 11 PHE H H 8.808 0.006 1 99 32 11 PHE HA H 4.264 0.005 1 100 32 11 PHE HB2 H 1.887 0.010 2 101 32 11 PHE HB3 H 2.240 0.006 2 102 32 11 PHE HD1 H 6.859 0.005 1 103 32 11 PHE HD2 H 6.859 0.005 1 104 32 11 PHE HE1 H 7.033 0.008 1 105 32 11 PHE HE2 H 7.033 0.008 1 106 32 11 PHE HZ H 6.947 0.010 1 107 32 11 PHE C C 174.041 0.005 1 108 32 11 PHE CA C 58.795 0.101 1 109 32 11 PHE CB C 40.986 0.108 1 110 32 11 PHE CD1 C 132.005 0.090 1 111 32 11 PHE CD2 C 132.005 0.090 1 112 32 11 PHE CE1 C 130.486 0.075 1 113 32 11 PHE CE2 C 130.486 0.075 1 114 32 11 PHE CZ C 129.160 0.115 1 115 32 11 PHE N N 126.138 0.080 1 116 33 12 GLN H H 8.556 0.003 1 117 33 12 GLN HA H 3.329 0.004 1 118 33 12 GLN HB2 H 1.758 0.008 1 119 33 12 GLN HB3 H 1.758 0.008 1 120 33 12 GLN HG2 H 1.044 0.005 2 121 33 12 GLN HG3 H 1.541 0.006 2 122 33 12 GLN HE21 H 7.011 0.005 2 123 33 12 GLN HE22 H 6.710 0.004 2 124 33 12 GLN C C 174.822 0.000 1 125 33 12 GLN CA C 57.850 0.066 1 126 33 12 GLN CB C 25.571 0.048 1 127 33 12 GLN CG C 33.497 0.071 1 128 33 12 GLN N N 124.691 0.087 1 129 33 12 GLN NE2 N 110.037 0.172 1 130 34 13 ASP HA H 4.723 0.007 1 131 34 13 ASP HB2 H 2.828 0.005 1 132 34 13 ASP HB3 H 2.828 0.005 1 133 34 13 ASP C C 175.421 0.004 1 134 34 13 ASP CA C 54.490 0.052 1 135 34 13 ASP CB C 40.685 0.079 1 136 35 14 SER H H 8.220 0.008 1 137 35 14 SER HA H 5.192 0.006 1 138 35 14 SER HB2 H 3.431 0.014 2 139 35 14 SER HB3 H 3.840 0.008 2 140 35 14 SER C C 171.212 0.008 1 141 35 14 SER CA C 58.721 0.052 1 142 35 14 SER CB C 67.244 0.063 1 143 35 14 SER N N 114.624 0.062 1 144 36 15 CYS H H 8.805 0.005 1 145 36 15 CYS HA H 5.698 0.018 1 146 36 15 CYS HB2 H 2.866 0.007 2 147 36 15 CYS HB3 H 3.038 0.005 2 148 36 15 CYS C C 173.321 0.002 1 149 36 15 CYS CA C 55.458 0.079 1 150 36 15 CYS CB C 47.172 0.049 1 151 36 15 CYS N N 118.624 0.078 1 152 37 16 TYR H H 10.066 0.009 1 153 37 16 TYR HA H 5.756 0.010 1 154 37 16 TYR HB2 H 3.134 0.013 2 155 37 16 TYR HB3 H 3.291 0.008 2 156 37 16 TYR HD1 H 7.326 0.007 1 157 37 16 TYR HD2 H 7.326 0.007 1 158 37 16 TYR HE1 H 7.034 0.006 1 159 37 16 TYR HE2 H 7.034 0.006 1 160 37 16 TYR C C 174.745 0.010 1 161 37 16 TYR CA C 57.230 0.055 1 162 37 16 TYR CB C 42.649 0.114 1 163 37 16 TYR CD1 C 133.285 0.110 1 164 37 16 TYR CD2 C 133.285 0.110 1 165 37 16 TYR CE1 C 118.214 0.083 1 166 37 16 TYR CE2 C 118.214 0.083 1 167 37 16 TYR N N 122.000 0.063 1 168 38 17 ILE H H 8.516 0.005 1 169 38 17 ILE HA H 4.420 0.006 1 170 38 17 ILE HB H 0.050 0.006 1 171 38 17 ILE HG12 H 0.145 0.011 2 172 38 17 ILE HG13 H 0.910 0.005 2 173 38 17 ILE HG2 H -0.469 0.006 1 174 38 17 ILE HD1 H -0.289 0.005 1 175 38 17 ILE C C 170.492 0.003 1 176 38 17 ILE CA C 59.991 0.060 1 177 38 17 ILE CB C 40.928 0.089 1 178 38 17 ILE CG1 C 28.364 0.080 1 179 38 17 ILE CG2 C 15.098 0.063 1 180 38 17 ILE CD1 C 12.672 0.061 1 181 38 17 ILE N N 119.904 0.085 1 182 39 18 PHE H H 7.147 0.011 1 183 39 18 PHE HA H 5.515 0.005 1 184 39 18 PHE HB2 H 2.250 0.002 2 185 39 18 PHE HB3 H 2.782 0.010 2 186 39 18 PHE HD1 H 6.716 0.009 1 187 39 18 PHE HD2 H 6.716 0.009 1 188 39 18 PHE HZ H 6.984 0.009 1 189 39 18 PHE C C 174.166 0.011 1 190 39 18 PHE CA C 54.687 0.092 1 191 39 18 PHE CB C 39.038 0.089 1 192 39 18 PHE CD1 C 131.088 0.117 1 193 39 18 PHE CD2 C 131.088 0.117 1 194 39 18 PHE CZ C 128.890 0.145 1 195 39 18 PHE N N 126.863 0.068 1 196 40 19 LEU H H 8.720 0.007 1 197 40 19 LEU HA H 4.134 0.007 1 198 40 19 LEU HB2 H 1.145 0.004 2 199 40 19 LEU HB3 H 1.517 0.006 2 200 40 19 LEU HG H 1.144 0.009 1 201 40 19 LEU HD1 H 0.212 0.006 2 202 40 19 LEU HD2 H 0.417 0.006 2 203 40 19 LEU C C 176.032 0.004 1 204 40 19 LEU CA C 53.567 0.078 1 205 40 19 LEU CB C 42.115 0.089 1 206 40 19 LEU CG C 26.018 0.120 1 207 40 19 LEU CD1 C 22.406 0.067 2 208 40 19 LEU CD2 C 26.667 0.081 2 209 40 19 LEU N N 128.128 0.036 1 210 41 20 GLN H H 8.468 0.005 1 211 41 20 GLN HA H 4.232 0.003 1 212 41 20 GLN HB2 H 1.772 0.005 2 213 41 20 GLN HB3 H 2.057 0.003 2 214 41 20 GLN HG2 H 1.973 0.008 2 215 41 20 GLN HG3 H 2.053 0.007 2 216 41 20 GLN HE21 H 7.572 0.004 2 217 41 20 GLN HE22 H 6.919 0.008 2 218 41 20 GLN C C 174.833 0.007 1 219 41 20 GLN CA C 55.383 0.048 1 220 41 20 GLN CB C 29.760 0.095 1 221 41 20 GLN CG C 34.667 0.119 1 222 41 20 GLN N N 124.006 0.079 1 223 41 20 GLN NE2 N 112.159 0.092 1 224 42 21 GLU H H 7.714 0.007 1 225 42 21 GLU HA H 4.264 0.004 1 226 42 21 GLU HB2 H 1.777 0.010 2 227 42 21 GLU HB3 H 1.890 0.010 2 228 42 21 GLU HG2 H 2.141 0.004 1 229 42 21 GLU HG3 H 2.141 0.004 1 230 42 21 GLU C C 175.147 0.007 1 231 42 21 GLU CA C 55.828 0.094 1 232 42 21 GLU CB C 31.123 0.119 1 233 42 21 GLU CG C 36.119 0.052 1 234 42 21 GLU N N 121.368 0.068 1 235 43 22 ALA H H 8.378 0.005 1 236 43 22 ALA HA H 4.595 0.007 1 237 43 22 ALA HB H 1.311 0.004 1 238 43 22 ALA C C 177.213 0.005 1 239 43 22 ALA CA C 51.935 0.069 1 240 43 22 ALA CB C 18.311 0.093 1 241 43 22 ALA N N 126.771 0.078 1 242 44 23 ILE H H 7.900 0.008 1 243 44 23 ILE HA H 4.400 0.006 1 244 44 23 ILE HB H 1.731 0.003 1 245 44 23 ILE HG12 H 0.961 0.005 2 246 44 23 ILE HG13 H 1.335 0.006 2 247 44 23 ILE HG2 H 0.790 0.007 1 248 44 23 ILE HD1 H 0.718 0.005 1 249 44 23 ILE C C 174.982 0.006 1 250 44 23 ILE CA C 59.898 0.096 1 251 44 23 ILE CB C 41.268 0.045 1 252 44 23 ILE CG1 C 26.438 0.094 1 253 44 23 ILE CG2 C 17.608 0.087 1 254 44 23 ILE CD1 C 13.693 0.062 1 255 44 23 ILE N N 119.500 0.051 1 256 45 24 LYS H H 8.277 0.004 1 257 45 24 LYS HA H 4.459 0.005 1 258 45 24 LYS HB2 H 1.788 0.011 2 259 45 24 LYS HB3 H 1.739 0.002 2 260 45 24 LYS HG2 H 1.346 0.006 2 261 45 24 LYS HG3 H 1.473 0.010 2 262 45 24 LYS HD2 H 1.695 0.004 1 263 45 24 LYS HD3 H 1.695 0.004 1 264 45 24 LYS HE2 H 2.992 0.006 1 265 45 24 LYS HE3 H 2.992 0.006 1 266 45 24 LYS C C 175.823 0.007 1 267 45 24 LYS CA C 56.234 0.086 1 268 45 24 LYS CB C 32.462 0.066 1 269 45 24 LYS CG C 24.708 0.041 1 270 45 24 LYS CD C 29.024 0.081 1 271 45 24 LYS CE C 42.349 0.077 1 272 45 24 LYS N N 124.975 0.044 1 273 46 25 VAL H H 8.133 0.005 1 274 46 25 VAL HA H 4.444 0.005 1 275 46 25 VAL HB H 2.073 0.006 1 276 46 25 VAL HG1 H 0.801 0.006 2 277 46 25 VAL HG2 H 0.748 0.005 2 278 46 25 VAL C C 175.083 0.005 1 279 46 25 VAL CA C 60.786 0.058 1 280 46 25 VAL CB C 34.834 0.085 1 281 46 25 VAL CG1 C 22.410 0.033 2 282 46 25 VAL CG2 C 20.016 0.027 2 283 46 25 VAL N N 121.130 0.057 1 284 47 26 GLU H H 9.345 0.006 1 285 47 26 GLU HA H 4.593 0.009 1 286 47 26 GLU HB2 H 2.206 0.009 2 287 47 26 GLU HB3 H 1.992 0.011 2 288 47 26 GLU HG2 H 2.224 0.009 1 289 47 26 GLU HG3 H 2.224 0.009 1 290 47 26 GLU C C 176.201 0.007 1 291 47 26 GLU CA C 56.474 0.112 1 292 47 26 GLU CB C 31.698 0.067 1 293 47 26 GLU CG C 36.786 0.117 1 294 47 26 GLU N N 121.800 0.074 1 295 48 27 SER H H 8.060 0.004 1 296 48 27 SER HA H 4.868 0.006 1 297 48 27 SER HB2 H 3.973 0.005 2 298 48 27 SER HB3 H 4.269 0.006 2 299 48 27 SER C C 175.060 0.009 1 300 48 27 SER CA C 57.025 0.060 1 301 48 27 SER CB C 66.534 0.050 1 302 48 27 SER N N 113.336 0.113 1 303 49 28 ILE H H 9.236 0.005 1 304 49 28 ILE HA H 4.081 0.004 1 305 49 28 ILE HB H 2.106 0.006 1 306 49 28 ILE HG12 H 1.672 0.006 2 307 49 28 ILE HG13 H 1.755 0.006 2 308 49 28 ILE HG2 H 1.239 0.006 1 309 49 28 ILE HD1 H 1.273 0.003 1 310 49 28 ILE C C 176.515 0.004 1 311 49 28 ILE CA C 63.272 0.057 1 312 49 28 ILE CB C 37.883 0.062 1 313 49 28 ILE CG1 C 29.512 0.075 1 314 49 28 ILE CG2 C 17.622 0.077 1 315 49 28 ILE CD1 C 14.269 0.041 1 316 49 28 ILE N N 122.140 0.089 1 317 50 29 GLU H H 8.352 0.007 1 318 50 29 GLU HA H 3.784 0.005 1 319 50 29 GLU HB2 H 1.946 0.007 1 320 50 29 GLU HB3 H 1.946 0.007 1 321 50 29 GLU HG2 H 2.253 0.004 2 322 50 29 GLU HG3 H 2.309 0.003 2 323 50 29 GLU C C 178.160 0.009 1 324 50 29 GLU CA C 60.222 0.068 1 325 50 29 GLU CB C 28.913 0.088 1 326 50 29 GLU CG C 36.839 0.092 1 327 50 29 GLU N N 122.311 0.037 1 328 51 30 ASP H H 7.665 0.006 1 329 51 30 ASP HA H 4.453 0.005 1 330 51 30 ASP HB2 H 2.881 0.007 2 331 51 30 ASP HB3 H 3.028 0.004 2 332 51 30 ASP C C 178.867 0.006 1 333 51 30 ASP CA C 57.423 0.046 1 334 51 30 ASP CB C 41.683 0.065 1 335 51 30 ASP N N 117.532 0.064 1 336 52 31 VAL H H 7.266 0.005 1 337 52 31 VAL HA H 3.664 0.005 1 338 52 31 VAL HB H 2.391 0.004 1 339 52 31 VAL HG1 H 1.025 0.003 2 340 52 31 VAL HG2 H 1.120 0.006 2 341 52 31 VAL C C 177.803 0.007 1 342 52 31 VAL CA C 65.884 0.049 1 343 52 31 VAL CB C 31.644 0.056 1 344 52 31 VAL CG1 C 23.032 0.069 2 345 52 31 VAL CG2 C 22.693 0.092 2 346 52 31 VAL N N 119.697 0.069 1 347 53 32 ARG H H 8.242 0.004 1 348 53 32 ARG HA H 4.201 0.011 1 349 53 32 ARG HB2 H 1.599 0.008 1 350 53 32 ARG HB3 H 1.599 0.008 1 351 53 32 ARG HG2 H 1.205 0.008 2 352 53 32 ARG HG3 H 1.490 0.008 2 353 53 32 ARG HD2 H 2.661 0.014 2 354 53 32 ARG HD3 H 3.564 0.010 2 355 53 32 ARG HE H 8.961 0.005 1 356 53 32 ARG C C 179.170 0.009 1 357 53 32 ARG CA C 60.660 0.023 1 358 53 32 ARG CB C 29.402 0.041 1 359 53 32 ARG CG C 27.569 0.075 1 360 53 32 ARG CD C 43.134 0.042 1 361 53 32 ARG N N 120.980 0.076 1 362 53 32 ARG NE N 87.213 0.051 1 363 54 33 ASN H H 8.279 0.006 1 364 54 33 ASN HA H 4.755 0.008 1 365 54 33 ASN HB2 H 2.843 0.002 1 366 54 33 ASN HB3 H 2.843 0.002 1 367 54 33 ASN HD21 H 7.614 0.004 2 368 54 33 ASN HD22 H 6.782 0.002 2 369 54 33 ASN C C 177.170 0.006 1 370 54 33 ASN CA C 54.781 0.070 1 371 54 33 ASN CB C 38.169 0.066 1 372 54 33 ASN N N 116.590 0.063 1 373 54 33 ASN ND2 N 111.677 0.048 1 374 55 34 GLN H H 7.535 0.004 1 375 55 34 GLN HA H 4.187 0.007 1 376 55 34 GLN HB2 H 2.163 0.008 2 377 55 34 GLN HB3 H 2.238 0.009 2 378 55 34 GLN HG2 H 2.318 0.006 2 379 55 34 GLN HG3 H 2.502 0.005 2 380 55 34 GLN HE21 H 7.442 0.008 2 381 55 34 GLN HE22 H 6.897 0.005 2 382 55 34 GLN C C 179.019 0.007 1 383 55 34 GLN CA C 58.970 0.045 1 384 55 34 GLN CB C 28.968 0.075 1 385 55 34 GLN CG C 34.413 0.105 1 386 55 34 GLN N N 117.611 0.053 1 387 55 34 GLN NE2 N 111.156 0.080 1 388 56 35 CYS H H 7.395 0.005 1 389 56 35 CYS HA H 4.666 0.007 1 390 56 35 CYS HB2 H 2.485 0.007 2 391 56 35 CYS HB3 H 2.944 0.008 2 392 56 35 CYS C C 178.905 0.005 1 393 56 35 CYS CA C 54.992 0.053 1 394 56 35 CYS CB C 35.110 0.074 1 395 56 35 CYS N N 113.913 0.088 1 396 57 36 THR H H 8.902 0.004 1 397 57 36 THR HA H 4.550 0.006 1 398 57 36 THR HB H 4.382 0.006 1 399 57 36 THR HG2 H 1.312 0.004 1 400 57 36 THR C C 179.486 0.007 1 401 57 36 THR CA C 66.210 0.071 1 402 57 36 THR CB C 68.160 0.120 1 403 57 36 THR CG2 C 21.636 0.090 1 404 57 36 THR N N 119.181 0.056 1 405 58 37 ASP H H 8.466 0.009 1 406 58 37 ASP HA H 4.511 0.004 1 407 58 37 ASP HB2 H 2.447 0.009 2 408 58 37 ASP HB3 H 2.780 0.005 2 409 58 37 ASP C C 177.298 0.005 1 410 58 37 ASP CA C 57.001 0.071 1 411 58 37 ASP CB C 40.475 0.088 1 412 58 37 ASP N N 124.495 0.072 1 413 59 38 HIS H H 7.562 0.007 1 414 59 38 HIS HA H 4.732 0.008 1 415 59 38 HIS HB2 H 2.924 0.006 2 416 59 38 HIS HB3 H 3.796 0.007 2 417 59 38 HIS HD2 H 7.536 0.005 1 418 59 38 HIS HE1 H 8.372 0.010 1 419 59 38 HIS C C 174.618 0.004 1 420 59 38 HIS CA C 56.144 0.057 1 421 59 38 HIS CB C 29.431 0.124 1 422 59 38 HIS CD2 C 121.009 0.159 1 423 59 38 HIS CE1 C 137.712 0.065 1 424 59 38 HIS N N 115.366 0.085 1 425 60 39 GLY H H 8.048 0.004 1 426 60 39 GLY HA2 H 3.957 0.005 2 427 60 39 GLY HA3 H 4.038 0.005 2 428 60 39 GLY C C 173.509 0.003 1 429 60 39 GLY CA C 46.539 0.064 1 430 60 39 GLY N N 108.016 0.056 1 431 61 40 ALA H H 7.778 0.006 1 432 61 40 ALA HA H 4.963 0.007 1 433 61 40 ALA HB H 1.447 0.006 1 434 61 40 ALA C C 174.027 0.016 1 435 61 40 ALA CA C 49.914 0.074 1 436 61 40 ALA CB C 23.184 0.035 1 437 61 40 ALA N N 122.033 0.046 1 438 62 41 ASP H H 8.447 0.005 1 439 62 41 ASP HA H 4.882 0.005 1 440 62 41 ASP HB2 H 2.515 0.011 2 441 62 41 ASP HB3 H 3.078 0.011 2 442 62 41 ASP C C 176.189 0.008 1 443 62 41 ASP CA C 51.943 0.093 1 444 62 41 ASP CB C 44.258 0.111 1 445 62 41 ASP N N 117.291 0.053 1 446 63 42 MET H H 10.654 0.005 1 447 63 42 MET HA H 4.770 0.009 1 448 63 42 MET HB2 H 1.885 0.008 2 449 63 42 MET HB3 H 2.597 0.008 2 450 63 42 MET HG2 H 2.604 0.008 2 451 63 42 MET HG3 H 3.573 0.004 2 452 63 42 MET HE H 2.088 0.005 1 453 63 42 MET C C 177.888 0.005 1 454 63 42 MET CA C 57.664 0.038 1 455 63 42 MET CB C 37.177 0.068 1 456 63 42 MET CG C 34.824 0.165 1 457 63 42 MET CE C 17.751 0.041 1 458 63 42 MET N N 121.098 0.060 1 459 64 43 ILE H H 8.253 0.004 1 460 64 43 ILE HA H 3.801 0.006 1 461 64 43 ILE HB H 1.757 0.006 1 462 64 43 ILE HG12 H 1.282 0.008 2 463 64 43 ILE HG13 H 1.348 0.006 2 464 64 43 ILE HG2 H 1.093 0.003 1 465 64 43 ILE HD1 H 1.027 0.004 1 466 64 43 ILE C C 172.205 0.034 1 467 64 43 ILE CA C 62.475 0.061 1 468 64 43 ILE CB C 39.848 0.077 1 469 64 43 ILE CG1 C 27.867 0.066 1 470 64 43 ILE CG2 C 19.300 0.067 1 471 64 43 ILE CD1 C 15.501 0.067 1 472 64 43 ILE N N 119.548 0.055 1 473 65 44 SER H H 6.318 0.007 1 474 65 44 SER HA H 2.767 0.006 1 475 65 44 SER HB2 H 3.166 0.005 2 476 65 44 SER HB3 H 1.145 0.006 2 477 65 44 SER CA C 55.267 0.080 1 478 65 44 SER CB C 64.704 0.083 1 479 65 44 SER N N 116.040 0.049 1 480 66 45 ILE H H 5.056 0.007 1 481 66 45 ILE HA H 4.315 0.006 1 482 66 45 ILE HB H 1.945 0.008 1 483 66 45 ILE HG12 H 0.683 0.008 2 484 66 45 ILE HG13 H 1.106 0.011 2 485 66 45 ILE HG2 H 1.299 0.006 1 486 66 45 ILE HD1 H 0.859 0.005 1 487 66 45 ILE C C 176.738 0.005 1 488 66 45 ILE CA C 60.531 0.085 1 489 66 45 ILE CB C 41.516 0.048 1 490 66 45 ILE CG1 C 27.832 0.041 1 491 66 45 ILE CG2 C 18.643 0.087 1 492 66 45 ILE CD1 C 14.410 0.068 1 493 66 45 ILE N N 117.995 0.070 1 494 67 46 HIS H H 9.228 0.008 1 495 67 46 HIS HA H 4.951 0.006 1 496 67 46 HIS HB2 H 2.971 0.010 2 497 67 46 HIS HB3 H 3.672 0.008 2 498 67 46 HIS HD2 H 7.356 0.010 1 499 67 46 HIS HE1 H 8.658 0.007 1 500 67 46 HIS C C 172.572 0.010 1 501 67 46 HIS CA C 57.044 0.096 1 502 67 46 HIS CB C 31.326 0.095 1 503 67 46 HIS CD2 C 118.932 0.096 1 504 67 46 HIS CE1 C 138.177 0.073 1 505 67 46 HIS N N 121.697 0.086 1 506 68 47 ASN H H 7.125 0.003 1 507 68 47 ASN HA H 3.564 0.006 1 508 68 47 ASN HB2 H 2.848 0.007 2 509 68 47 ASN HB3 H 3.218 0.005 2 510 68 47 ASN HD21 H 7.410 0.006 2 511 68 47 ASN HD22 H 7.121 0.002 2 512 68 47 ASN C C 173.604 0.003 1 513 68 47 ASN CA C 52.279 0.061 1 514 68 47 ASN CB C 39.887 0.051 1 515 68 47 ASN N N 112.028 0.061 1 516 68 47 ASN ND2 N 115.198 0.123 1 517 69 48 GLU H H 8.599 0.004 1 518 69 48 GLU HA H 3.807 0.005 1 519 69 48 GLU HB2 H 1.906 0.007 2 520 69 48 GLU HB3 H 2.158 0.006 2 521 69 48 GLU HG2 H 2.317 0.006 2 522 69 48 GLU HG3 H 2.489 0.007 2 523 69 48 GLU C C 177.639 0.002 1 524 69 48 GLU CA C 58.569 0.051 1 525 69 48 GLU CB C 29.485 0.100 1 526 69 48 GLU CG C 34.902 0.083 1 527 69 48 GLU N N 120.495 0.079 1 528 70 49 GLU H H 8.613 0.005 1 529 70 49 GLU HA H 4.067 0.004 1 530 70 49 GLU HB2 H 2.092 0.010 2 531 70 49 GLU HB3 H 2.254 0.006 2 532 70 49 GLU HG2 H 2.368 0.005 2 533 70 49 GLU HG3 H 2.503 0.004 2 534 70 49 GLU C C 179.533 0.005 1 535 70 49 GLU CA C 60.724 0.074 1 536 70 49 GLU CB C 28.653 0.071 1 537 70 49 GLU CG C 37.821 0.096 1 538 70 49 GLU N N 120.070 0.071 1 539 71 50 GLU H H 8.779 0.005 1 540 71 50 GLU HA H 3.931 0.008 1 541 71 50 GLU HB2 H 2.180 0.009 1 542 71 50 GLU HB3 H 2.180 0.009 1 543 71 50 GLU HG2 H 2.345 0.008 2 544 71 50 GLU HG3 H 2.525 0.005 2 545 71 50 GLU C C 177.519 0.006 1 546 71 50 GLU CA C 59.586 0.074 1 547 71 50 GLU CB C 30.214 0.081 1 548 71 50 GLU CG C 36.247 0.069 1 549 71 50 GLU N N 122.998 0.079 1 550 72 51 ASN H H 7.729 0.004 1 551 72 51 ASN HA H 4.095 0.010 1 552 72 51 ASN HB2 H 2.515 0.007 2 553 72 51 ASN HB3 H 3.153 0.008 2 554 72 51 ASN HD21 H 8.125 0.007 2 555 72 51 ASN HD22 H 6.769 0.006 2 556 72 51 ASN C C 176.473 0.009 1 557 72 51 ASN CA C 58.641 0.058 1 558 72 51 ASN CB C 41.061 0.086 1 559 72 51 ASN N N 120.264 0.076 1 560 72 51 ASN ND2 N 112.809 0.118 1 561 73 52 ALA H H 8.661 0.003 1 562 73 52 ALA HA H 4.028 0.005 1 563 73 52 ALA HB H 1.525 0.006 1 564 73 52 ALA C C 180.121 0.009 1 565 73 52 ALA CA C 55.228 0.163 1 566 73 52 ALA CB C 18.429 0.079 1 567 73 52 ALA N N 118.255 0.080 1 568 74 53 PHE H H 8.049 0.004 1 569 74 53 PHE HA H 4.061 0.010 1 570 74 53 PHE HB2 H 2.308 0.006 2 571 74 53 PHE HB3 H 2.369 0.005 2 572 74 53 PHE HD1 H 6.498 0.007 1 573 74 53 PHE HD2 H 6.498 0.007 1 574 74 53 PHE HE1 H 6.382 0.011 3 575 74 53 PHE HE2 H 6.501 0.006 3 576 74 53 PHE HZ H 6.651 0.009 1 577 74 53 PHE C C 178.324 0.009 1 578 74 53 PHE CA C 60.419 0.109 1 579 74 53 PHE CB C 38.529 0.087 1 580 74 53 PHE CD1 C 131.671 0.095 1 581 74 53 PHE CD2 C 131.671 0.095 1 582 74 53 PHE CE1 C 130.866 0.168 1 583 74 53 PHE CE2 C 130.866 0.168 1 584 74 53 PHE CZ C 128.711 0.052 1 585 74 53 PHE N N 121.319 0.085 1 586 75 54 ILE H H 8.063 0.003 1 587 75 54 ILE HA H 2.897 0.007 1 588 75 54 ILE HB H 1.960 0.005 1 589 75 54 ILE HG12 H 1.159 0.007 2 590 75 54 ILE HG13 H 1.551 0.004 2 591 75 54 ILE HG2 H 0.624 0.003 1 592 75 54 ILE HD1 H 0.721 0.005 1 593 75 54 ILE C C 177.322 0.004 1 594 75 54 ILE CA C 64.038 0.072 1 595 75 54 ILE CB C 36.629 0.089 1 596 75 54 ILE CG1 C 28.516 0.080 1 597 75 54 ILE CG2 C 17.994 0.058 1 598 75 54 ILE CD1 C 13.166 0.053 1 599 75 54 ILE N N 123.794 0.087 1 600 76 55 LEU H H 7.871 0.007 1 601 76 55 LEU HA H 3.758 0.008 1 602 76 55 LEU HB2 H 1.565 0.005 2 603 76 55 LEU HB3 H 1.801 0.005 2 604 76 55 LEU HG H 1.860 0.008 1 605 76 55 LEU HD1 H 0.898 0.008 2 606 76 55 LEU HD2 H 0.953 0.005 2 607 76 55 LEU C C 178.425 0.045 1 608 76 55 LEU CA C 58.600 0.063 1 609 76 55 LEU CB C 42.385 0.067 1 610 76 55 LEU CG C 26.965 0.087 1 611 76 55 LEU CD1 C 24.808 0.070 2 612 76 55 LEU CD2 C 25.962 0.096 2 613 76 55 LEU N N 119.247 0.093 1 614 77 56 ASP H H 8.152 0.005 1 615 77 56 ASP HA H 4.169 0.007 1 616 77 56 ASP HB2 H 2.416 0.004 2 617 77 56 ASP HB3 H 2.612 0.007 2 618 77 56 ASP C C 178.528 0.004 1 619 77 56 ASP CA C 57.546 0.121 1 620 77 56 ASP CB C 41.657 0.062 1 621 77 56 ASP N N 117.939 0.053 1 622 78 57 THR H H 7.725 0.003 1 623 78 57 THR HA H 3.439 0.007 1 624 78 57 THR HB H 3.263 0.008 1 625 78 57 THR HG2 H -0.025 0.005 1 626 78 57 THR C C 177.248 0.009 1 627 78 57 THR CA C 66.679 0.084 1 628 78 57 THR CB C 67.965 0.126 1 629 78 57 THR CG2 C 20.526 0.047 1 630 78 57 THR N N 115.942 0.070 1 631 79 58 LEU H H 8.261 0.004 1 632 79 58 LEU HA H 3.994 0.004 1 633 79 58 LEU HB2 H 1.302 0.008 2 634 79 58 LEU HB3 H 1.898 0.011 2 635 79 58 LEU HG H 1.725 0.008 1 636 79 58 LEU HD1 H 0.503 0.006 2 637 79 58 LEU HD2 H 0.650 0.008 2 638 79 58 LEU C C 177.962 0.008 1 639 79 58 LEU CA C 57.840 0.070 1 640 79 58 LEU CB C 41.719 0.058 1 641 79 58 LEU CG C 27.165 0.075 1 642 79 58 LEU CD1 C 23.416 0.036 2 643 79 58 LEU CD2 C 27.189 0.069 2 644 79 58 LEU N N 122.778 0.101 1 645 80 59 LYS H H 7.710 0.007 1 646 80 59 LYS HA H 4.056 0.004 1 647 80 59 LYS HB2 H 1.834 0.008 2 648 80 59 LYS HB3 H 1.805 0.008 2 649 80 59 LYS HG2 H 1.326 0.004 2 650 80 59 LYS HG3 H 1.579 0.007 2 651 80 59 LYS HD2 H 1.603 0.009 1 652 80 59 LYS HD3 H 1.603 0.009 1 653 80 59 LYS HE2 H 2.851 0.007 1 654 80 59 LYS HE3 H 2.851 0.007 1 655 80 59 LYS C C 178.059 0.009 1 656 80 59 LYS CA C 58.702 0.085 1 657 80 59 LYS CB C 32.905 0.095 1 658 80 59 LYS CG C 25.690 0.099 1 659 80 59 LYS CD C 29.502 0.102 1 660 80 59 LYS CE C 42.259 0.069 1 661 80 59 LYS N N 116.989 0.120 1 662 81 60 LYS H H 7.528 0.005 1 663 81 60 LYS HA H 4.235 0.008 1 664 81 60 LYS HB2 H 1.729 0.009 2 665 81 60 LYS HB3 H 1.785 0.007 2 666 81 60 LYS HG2 H 1.315 0.007 2 667 81 60 LYS HG3 H 1.420 0.015 2 668 81 60 LYS HD2 H 1.584 0.009 1 669 81 60 LYS HD3 H 1.584 0.009 1 670 81 60 LYS HE2 H 2.896 0.006 1 671 81 60 LYS HE3 H 2.896 0.006 1 672 81 60 LYS C C 176.984 0.004 1 673 81 60 LYS CA C 57.864 0.089 1 674 81 60 LYS CB C 33.890 0.040 1 675 81 60 LYS CG C 25.435 0.109 1 676 81 60 LYS CD C 29.144 0.080 1 677 81 60 LYS CE C 42.205 0.106 1 678 81 60 LYS N N 117.210 0.039 1 679 82 61 GLN H H 7.973 0.006 1 680 82 61 GLN HA H 4.328 0.010 1 681 82 61 GLN HB2 H 1.595 0.004 2 682 82 61 GLN HB3 H 1.748 0.005 2 683 82 61 GLN HG2 H 2.026 0.007 2 684 82 61 GLN HG3 H 2.087 0.006 2 685 82 61 GLN HE21 H 7.277 0.005 2 686 82 61 GLN HE22 H 6.647 0.007 2 687 82 61 GLN C C 176.174 0.006 1 688 82 61 GLN CA C 57.458 0.063 1 689 82 61 GLN CB C 29.955 0.068 1 690 82 61 GLN CG C 33.460 0.108 1 691 82 61 GLN N N 117.770 0.077 1 692 82 61 GLN NE2 N 110.723 0.134 1 693 83 62 TRP H H 8.015 0.009 1 694 83 62 TRP HA H 4.793 0.008 1 695 83 62 TRP HB2 H 2.821 0.007 1 696 83 62 TRP HB3 H 2.821 0.007 1 697 83 62 TRP HD1 H 6.993 0.005 1 698 83 62 TRP HE1 H 10.419 0.023 1 699 83 62 TRP HE3 H 7.071 0.006 1 700 83 62 TRP HZ2 H 7.382 0.006 1 701 83 62 TRP HZ3 H 6.762 0.005 1 702 83 62 TRP HH2 H 7.173 0.006 1 703 83 62 TRP C C 174.955 0.000 1 704 83 62 TRP CA C 56.253 0.118 1 705 83 62 TRP CB C 30.082 0.092 1 706 83 62 TRP CD1 C 124.089 0.113 1 707 83 62 TRP CE3 C 120.477 0.166 1 708 83 62 TRP CZ2 C 114.564 0.126 1 709 83 62 TRP CZ3 C 121.208 0.136 1 710 83 62 TRP CH2 C 125.860 0.150 1 711 83 62 TRP N N 120.070 0.134 1 712 83 62 TRP NE1 N 129.886 0.096 1 713 84 63 LYS H H 7.859 0.006 1 714 84 63 LYS HA H 4.189 0.005 1 715 84 63 LYS HB2 H 1.711 0.004 2 716 84 63 LYS HB3 H 1.744 0.008 2 717 84 63 LYS HG2 H 1.284 0.013 1 718 84 63 LYS HG3 H 1.284 0.013 1 719 84 63 LYS HD2 H 1.616 0.008 1 720 84 63 LYS HD3 H 1.616 0.008 1 721 84 63 LYS HE2 H 2.951 0.009 1 722 84 63 LYS HE3 H 2.951 0.009 1 723 84 63 LYS C C 176.450 0.004 1 724 84 63 LYS CA C 56.015 0.068 1 725 84 63 LYS CB C 31.254 0.069 1 726 84 63 LYS CG C 24.490 0.090 1 727 84 63 LYS CD C 29.012 0.058 1 728 84 63 LYS CE C 42.301 0.058 1 729 84 63 LYS N N 120.105 0.091 1 730 85 64 GLY H H 7.675 0.015 1 731 85 64 GLY HA2 H 3.554 0.008 2 732 85 64 GLY HA3 H 4.035 0.013 2 733 85 64 GLY C C 171.536 0.000 1 734 85 64 GLY CA C 45.341 0.077 1 735 85 64 GLY N N 107.891 0.066 1 736 86 65 PRO HA H 4.632 0.007 1 737 86 65 PRO HB2 H 2.239 0.006 2 738 86 65 PRO HB3 H 2.399 0.005 2 739 86 65 PRO HG2 H 2.017 0.006 2 740 86 65 PRO HG3 H 2.155 0.005 2 741 86 65 PRO HD2 H 3.559 0.005 2 742 86 65 PRO HD3 H 3.686 0.005 2 743 86 65 PRO C C 175.197 0.004 1 744 86 65 PRO CA C 62.845 0.041 1 745 86 65 PRO CB C 32.802 0.041 1 746 86 65 PRO CG C 27.097 0.091 1 747 86 65 PRO CD C 50.049 0.055 1 748 87 66 ASP H H 8.298 0.004 1 749 87 66 ASP HA H 4.500 0.008 1 750 87 66 ASP HB2 H 2.632 0.007 1 751 87 66 ASP HB3 H 2.632 0.007 1 752 87 66 ASP C C 175.965 0.008 1 753 87 66 ASP CA C 56.028 0.096 1 754 87 66 ASP CB C 41.813 0.114 1 755 87 66 ASP N N 116.689 0.051 1 756 88 67 ASP H H 7.672 0.006 1 757 88 67 ASP HA H 5.745 0.008 1 758 88 67 ASP HB2 H 2.375 0.008 1 759 88 67 ASP HB3 H 2.375 0.008 1 760 88 67 ASP C C 174.993 0.007 1 761 88 67 ASP CA C 53.548 0.061 1 762 88 67 ASP CB C 44.240 0.095 1 763 88 67 ASP N N 117.232 0.066 1 764 89 68 ILE H H 8.631 0.008 1 765 89 68 ILE HA H 4.836 0.009 1 766 89 68 ILE HB H 1.822 0.004 1 767 89 68 ILE HG12 H 1.135 0.008 2 768 89 68 ILE HG13 H 1.459 0.005 2 769 89 68 ILE HG2 H 0.879 0.005 1 770 89 68 ILE HD1 H 0.690 0.005 1 771 89 68 ILE C C 174.982 0.001 1 772 89 68 ILE CA C 58.455 0.073 1 773 89 68 ILE CB C 41.387 0.064 1 774 89 68 ILE CG1 C 27.546 0.070 1 775 89 68 ILE CG2 C 18.118 0.064 1 776 89 68 ILE CD1 C 13.884 0.087 1 777 89 68 ILE N N 118.656 0.072 1 778 90 69 LEU H H 8.705 0.004 1 779 90 69 LEU HA H 3.967 0.004 1 780 90 69 LEU HB2 H 1.523 0.005 2 781 90 69 LEU HB3 H 1.613 0.007 2 782 90 69 LEU HG H 1.620 0.002 1 783 90 69 LEU HD1 H 0.836 0.004 2 784 90 69 LEU HD2 H 0.677 0.003 2 785 90 69 LEU C C 176.381 0.008 1 786 90 69 LEU CA C 56.117 0.088 1 787 90 69 LEU CB C 43.766 0.089 1 788 90 69 LEU CG C 27.116 0.105 1 789 90 69 LEU CD1 C 25.205 0.057 2 790 90 69 LEU CD2 C 26.234 0.072 2 791 90 69 LEU N N 127.871 0.093 1 792 91 70 LEU H H 8.533 0.004 1 793 91 70 LEU HA H 4.397 0.013 1 794 91 70 LEU HB2 H 1.095 0.004 2 795 91 70 LEU HB3 H 1.482 0.006 2 796 91 70 LEU HG H 1.346 0.004 1 797 91 70 LEU HD1 H 0.420 0.006 2 798 91 70 LEU HD2 H -0.522 0.005 2 799 91 70 LEU C C 178.541 0.009 1 800 91 70 LEU CA C 52.802 0.117 1 801 91 70 LEU CB C 44.517 0.160 1 802 91 70 LEU CG C 26.416 0.068 1 803 91 70 LEU CD1 C 23.465 0.063 2 804 91 70 LEU CD2 C 23.568 0.046 2 805 91 70 LEU N N 121.608 0.065 1 806 92 71 GLY H H 8.246 0.004 1 807 92 71 GLY HA2 H 3.697 0.008 2 808 92 71 GLY HA3 H 4.934 0.009 2 809 92 71 GLY C C 174.305 0.012 1 810 92 71 GLY CA C 50.639 0.059 1 811 92 71 GLY N N 109.161 0.063 1 812 93 72 MET H H 8.232 0.005 1 813 93 72 MET HA H 5.295 0.006 1 814 93 72 MET HB2 H 1.519 0.005 2 815 93 72 MET HB3 H 1.622 0.004 2 816 93 72 MET HG2 H 1.763 0.005 1 817 93 72 MET HG3 H 1.763 0.005 1 818 93 72 MET HE H 1.544 0.009 1 819 93 72 MET C C 172.877 0.005 1 820 93 72 MET CA C 53.763 0.046 1 821 93 72 MET CB C 39.381 0.068 1 822 93 72 MET CG C 30.827 0.119 1 823 93 72 MET CE C 19.408 0.130 1 824 93 72 MET N N 124.962 0.106 1 825 94 73 PHE H H 8.760 0.004 1 826 94 73 PHE HA H 5.202 0.009 1 827 94 73 PHE HB2 H 2.707 0.008 2 828 94 73 PHE HB3 H 3.094 0.008 2 829 94 73 PHE HD1 H 6.453 0.009 1 830 94 73 PHE HD2 H 6.453 0.009 1 831 94 73 PHE HE1 H 7.104 0.003 1 832 94 73 PHE HE2 H 7.104 0.003 1 833 94 73 PHE HZ H 7.300 0.008 1 834 94 73 PHE C C 171.775 0.003 1 835 94 73 PHE CA C 54.973 0.055 1 836 94 73 PHE CB C 42.262 0.085 1 837 94 73 PHE CD1 C 132.837 0.090 1 838 94 73 PHE CD2 C 132.837 0.090 1 839 94 73 PHE CE1 C 130.568 0.122 1 840 94 73 PHE CE2 C 130.568 0.122 1 841 94 73 PHE CZ C 130.401 0.092 1 842 94 73 PHE N N 118.962 0.096 1 843 95 74 TYR H H 9.228 0.006 1 844 95 74 TYR HA H 3.910 0.007 1 845 95 74 TYR HB2 H 2.252 0.004 2 846 95 74 TYR HB3 H 2.791 0.007 2 847 95 74 TYR HD1 H 5.715 0.006 1 848 95 74 TYR HD2 H 5.715 0.006 1 849 95 74 TYR HE1 H 6.222 0.014 1 850 95 74 TYR HE2 H 6.222 0.014 1 851 95 74 TYR C C 173.780 0.007 1 852 95 74 TYR CA C 57.942 0.078 1 853 95 74 TYR CB C 39.217 0.077 1 854 95 74 TYR CD1 C 132.525 0.087 1 855 95 74 TYR CD2 C 132.525 0.087 1 856 95 74 TYR CE1 C 116.995 0.101 1 857 95 74 TYR CE2 C 116.995 0.101 1 858 95 74 TYR N N 122.512 0.074 1 859 96 75 ASP H H 8.085 0.003 1 860 96 75 ASP HA H 4.725 0.012 1 861 96 75 ASP HB2 H 2.092 0.006 2 862 96 75 ASP HB3 H 2.983 0.009 2 863 96 75 ASP C C 176.130 0.003 1 864 96 75 ASP CA C 52.362 0.054 1 865 96 75 ASP CB C 42.254 0.075 1 866 96 75 ASP N N 130.029 0.071 1 867 97 76 THR H H 8.262 0.002 1 868 97 76 THR HA H 3.767 0.009 1 869 97 76 THR HB H 4.340 0.007 1 870 97 76 THR HG2 H 1.434 0.009 1 871 97 76 THR C C 176.515 0.009 1 872 97 76 THR CA C 64.429 0.082 1 873 97 76 THR CB C 68.737 0.079 1 874 97 76 THR CG2 C 22.386 0.049 1 875 97 76 THR N N 117.210 0.075 1 876 98 77 ASP H H 8.374 0.003 1 877 98 77 ASP HA H 4.474 0.002 1 878 98 77 ASP HB2 H 2.606 0.004 2 879 98 77 ASP HB3 H 2.812 0.004 2 880 98 77 ASP C C 177.185 0.006 1 881 98 77 ASP CA C 57.341 0.057 1 882 98 77 ASP CB C 40.609 0.064 1 883 98 77 ASP N N 122.662 0.113 1 884 99 78 ASP H H 7.343 0.004 1 885 99 78 ASP HA H 4.580 0.009 1 886 99 78 ASP HB2 H 2.404 0.013 2 887 99 78 ASP HB3 H 2.617 0.014 2 888 99 78 ASP C C 175.236 0.019 1 889 99 78 ASP CA C 53.456 0.030 1 890 99 78 ASP CB C 41.227 0.140 1 891 99 78 ASP N N 117.032 0.035 1 892 100 79 ALA H H 7.780 0.002 1 893 100 79 ALA HA H 3.650 0.004 1 894 100 79 ALA HB H 1.314 0.004 1 895 100 79 ALA C C 175.434 0.001 1 896 100 79 ALA CA C 52.501 0.098 1 897 100 79 ALA CB C 16.546 0.106 1 898 100 79 ALA N N 123.663 0.035 1 899 101 80 SER H H 7.042 0.003 1 900 101 80 SER HA H 4.603 0.005 1 901 101 80 SER HB2 H 3.578 0.005 2 902 101 80 SER HB3 H 3.610 0.008 2 903 101 80 SER C C 172.552 0.001 1 904 101 80 SER CA C 57.020 0.107 1 905 101 80 SER CB C 66.437 0.047 1 906 101 80 SER N N 109.766 0.041 1 907 102 81 PHE H H 8.502 0.003 1 908 102 81 PHE HA H 4.823 0.008 1 909 102 81 PHE HB2 H 2.813 0.009 2 910 102 81 PHE HB3 H 2.979 0.007 2 911 102 81 PHE HD1 H 7.027 0.006 1 912 102 81 PHE HD2 H 7.027 0.006 1 913 102 81 PHE HE1 H 6.985 0.007 1 914 102 81 PHE HE2 H 6.985 0.007 1 915 102 81 PHE HZ H 6.782 0.005 1 916 102 81 PHE C C 175.698 0.005 1 917 102 81 PHE CA C 59.033 0.071 1 918 102 81 PHE CB C 41.344 0.080 1 919 102 81 PHE CD1 C 132.139 0.203 1 920 102 81 PHE CD2 C 132.139 0.203 1 921 102 81 PHE CE1 C 131.056 0.131 1 922 102 81 PHE CE2 C 131.056 0.131 1 923 102 81 PHE CZ C 129.161 0.065 1 924 102 81 PHE N N 121.019 0.060 1 925 103 82 LYS H H 8.493 0.004 1 926 103 82 LYS HA H 4.320 0.005 1 927 103 82 LYS HB2 H 0.508 0.007 2 928 103 82 LYS HB3 H 1.536 0.004 2 929 103 82 LYS HG2 H 1.038 0.005 1 930 103 82 LYS HG3 H 1.038 0.005 1 931 103 82 LYS HD2 H 1.496 0.009 2 932 103 82 LYS HD3 H 1.720 0.006 2 933 103 82 LYS HE2 H 2.768 0.003 2 934 103 82 LYS HE3 H 2.914 0.005 2 935 103 82 LYS C C 175.022 0.004 1 936 103 82 LYS CA C 54.132 0.108 1 937 103 82 LYS CB C 36.825 0.077 1 938 103 82 LYS CG C 25.575 0.099 1 939 103 82 LYS CD C 29.422 0.043 1 940 103 82 LYS CE C 42.576 0.114 1 941 103 82 LYS N N 119.330 0.062 1 942 104 83 TRP H H 8.593 0.007 1 943 104 83 TRP HA H 5.242 0.011 1 944 104 83 TRP HB2 H 3.207 0.010 2 945 104 83 TRP HB3 H 3.602 0.010 2 946 104 83 TRP HD1 H 7.343 0.005 1 947 104 83 TRP HE1 H 10.475 0.008 1 948 104 83 TRP HE3 H 7.957 0.007 1 949 104 83 TRP HZ2 H 8.042 0.005 1 950 104 83 TRP HZ3 H 6.740 0.009 1 951 104 83 TRP HH2 H 6.200 0.007 1 952 104 83 TRP C C 180.169 0.009 1 953 104 83 TRP CA C 55.759 0.077 1 954 104 83 TRP CB C 31.667 0.111 1 955 104 83 TRP CD1 C 130.942 0.152 1 956 104 83 TRP CE3 C 122.539 0.189 1 957 104 83 TRP CZ2 C 114.959 0.125 1 958 104 83 TRP CZ3 C 122.370 0.205 1 959 104 83 TRP CH2 C 122.677 0.171 1 960 104 83 TRP N N 119.800 0.069 1 961 104 83 TRP NE1 N 130.152 0.085 1 962 105 84 PHE H H 9.150 0.005 1 963 105 84 PHE HA H 4.651 0.006 1 964 105 84 PHE HB2 H 3.024 0.007 2 965 105 84 PHE HB3 H 3.510 0.015 2 966 105 84 PHE HD1 H 7.181 0.004 1 967 105 84 PHE HD2 H 7.181 0.004 1 968 105 84 PHE HE1 H 7.317 0.004 1 969 105 84 PHE HE2 H 7.317 0.004 1 970 105 84 PHE HZ H 7.304 0.004 1 971 105 84 PHE C C 176.864 0.005 1 972 105 84 PHE CA C 62.177 0.087 1 973 105 84 PHE CB C 39.257 0.113 1 974 105 84 PHE CD1 C 131.207 0.203 1 975 105 84 PHE CD2 C 131.207 0.203 1 976 105 84 PHE CE1 C 132.129 0.103 1 977 105 84 PHE CE2 C 132.129 0.103 1 978 105 84 PHE CZ C 129.687 0.129 1 979 105 84 PHE N N 124.276 0.050 1 980 106 85 ASP H H 8.425 0.006 1 981 106 85 ASP HA H 4.456 0.003 1 982 106 85 ASP HB2 H 2.578 0.009 2 983 106 85 ASP HB3 H 3.220 0.006 2 984 106 85 ASP C C 177.210 0.006 1 985 106 85 ASP CA C 54.236 0.092 1 986 106 85 ASP CB C 39.495 0.099 1 987 106 85 ASP N N 114.713 0.031 1 988 107 86 ASN H H 8.181 0.004 1 989 107 86 ASN HA H 4.788 0.006 1 990 107 86 ASN HB2 H 3.114 0.005 2 991 107 86 ASN HB3 H 3.244 0.007 2 992 107 86 ASN HD21 H 7.581 0.003 2 993 107 86 ASN HD22 H 6.913 0.003 2 994 107 86 ASN C C 174.822 0.007 1 995 107 86 ASN CA C 55.197 0.094 1 996 107 86 ASN CB C 37.856 0.074 1 997 107 86 ASN N N 112.518 0.079 1 998 107 86 ASN ND2 N 112.474 0.086 1 999 108 87 SER H H 8.540 0.004 1 1000 108 87 SER HA H 4.462 0.006 1 1001 108 87 SER HB2 H 3.827 0.004 2 1002 108 87 SER HB3 H 3.969 0.005 2 1003 108 87 SER C C 173.899 0.009 1 1004 108 87 SER CA C 58.669 0.053 1 1005 108 87 SER CB C 63.855 0.093 1 1006 108 87 SER N N 116.257 0.047 1 1007 109 88 ASN H H 8.703 0.004 1 1008 109 88 ASN HA H 4.839 0.005 1 1009 109 88 ASN HB2 H 2.902 0.003 1 1010 109 88 ASN HB3 H 2.902 0.003 1 1011 109 88 ASN HD21 H 7.643 0.001 2 1012 109 88 ASN HD22 H 7.065 0.003 2 1013 109 88 ASN C C 175.654 0.032 1 1014 109 88 ASN CA C 53.981 0.035 1 1015 109 88 ASN CB C 39.497 0.052 1 1016 109 88 ASN N N 117.757 0.061 1 1017 109 88 ASN ND2 N 112.940 0.064 1 1018 110 89 MET H H 9.041 0.007 1 1019 110 89 MET HA H 5.510 0.003 1 1020 110 89 MET HB2 H 1.994 0.006 2 1021 110 89 MET HB3 H 2.429 0.008 2 1022 110 89 MET HG2 H 2.614 0.009 2 1023 110 89 MET HG3 H 2.738 0.008 2 1024 110 89 MET HE H 2.043 0.015 1 1025 110 89 MET CA C 54.006 0.075 1 1026 110 89 MET CB C 30.508 0.107 1 1027 110 89 MET CG C 31.987 0.085 1 1028 110 89 MET CE C 16.930 0.098 1 1029 110 89 MET N N 124.162 0.061 1 1030 111 90 THR HA H 4.699 0.009 1 1031 111 90 THR HB H 4.583 0.002 1 1032 111 90 THR HG2 H 1.336 0.003 1 1033 111 90 THR C C 173.731 0.000 1 1034 111 90 THR CA C 62.192 0.079 1 1035 111 90 THR CB C 69.726 0.149 1 1036 111 90 THR CG2 C 22.602 0.089 1 1037 112 91 PHE H H 8.118 0.006 1 1038 112 91 PHE HA H 4.712 0.008 1 1039 112 91 PHE HB2 H 2.676 0.007 2 1040 112 91 PHE HB3 H 3.307 0.006 2 1041 112 91 PHE HD1 H 7.103 0.007 1 1042 112 91 PHE HD2 H 7.103 0.007 1 1043 112 91 PHE HE1 H 6.987 0.009 1 1044 112 91 PHE HE2 H 6.987 0.009 1 1045 112 91 PHE C C 172.784 0.004 1 1046 112 91 PHE CA C 57.415 0.034 1 1047 112 91 PHE CB C 43.580 0.040 1 1048 112 91 PHE CD1 C 131.285 0.089 1 1049 112 91 PHE CD2 C 131.285 0.089 1 1050 112 91 PHE CE1 C 128.736 0.106 1 1051 112 91 PHE CE2 C 128.736 0.106 1 1052 112 91 PHE N N 123.975 0.088 1 1053 113 92 ASP H H 6.775 0.004 1 1054 113 92 ASP HA H 3.336 0.007 1 1055 113 92 ASP HB2 H 1.260 0.008 2 1056 113 92 ASP HB3 H 2.308 0.006 2 1057 113 92 ASP C C 172.230 0.004 1 1058 113 92 ASP CA C 52.412 0.036 1 1059 113 92 ASP CB C 44.591 0.080 1 1060 113 92 ASP N N 120.156 0.049 1 1061 114 93 LYS H H 2.740 0.006 1 1062 114 93 LYS HA H 3.812 0.003 1 1063 114 93 LYS HB2 H -0.336 0.006 2 1064 114 93 LYS HB3 H 1.031 0.004 2 1065 114 93 LYS HG2 H 0.739 0.004 2 1066 114 93 LYS HG3 H 0.817 0.009 2 1067 114 93 LYS HD2 H 1.522 0.004 2 1068 114 93 LYS HD3 H 1.592 0.006 2 1069 114 93 LYS HE2 H 2.780 0.006 2 1070 114 93 LYS HE3 H 2.916 0.006 2 1071 114 93 LYS C C 175.884 0.000 1 1072 114 93 LYS CA C 52.919 0.059 1 1073 114 93 LYS CB C 30.853 0.073 1 1074 114 93 LYS CG C 24.371 0.087 1 1075 114 93 LYS CD C 28.523 0.098 1 1076 114 93 LYS CE C 41.779 0.079 1 1077 114 93 LYS N N 115.787 0.032 1 1078 115 94 TRP H H 8.247 0.003 1 1079 115 94 TRP HA H 4.940 0.007 1 1080 115 94 TRP HB2 H 2.891 0.006 2 1081 115 94 TRP HB3 H 3.329 0.007 2 1082 115 94 TRP HD1 H 7.000 0.006 1 1083 115 94 TRP HE1 H 10.011 0.015 1 1084 115 94 TRP HE3 H 7.680 0.007 1 1085 115 94 TRP HZ2 H 6.623 0.006 1 1086 115 94 TRP HZ3 H 6.617 0.009 1 1087 115 94 TRP HH2 H 6.388 0.008 1 1088 115 94 TRP C C 178.457 0.007 1 1089 115 94 TRP CA C 57.574 0.087 1 1090 115 94 TRP CB C 30.217 0.086 1 1091 115 94 TRP CD1 C 128.594 0.099 1 1092 115 94 TRP CE3 C 121.359 0.141 1 1093 115 94 TRP CZ2 C 114.134 0.068 1 1094 115 94 TRP CZ3 C 121.623 0.196 1 1095 115 94 TRP CH2 C 124.719 0.104 1 1096 115 94 TRP N N 121.829 0.096 1 1097 115 94 TRP NE1 N 127.904 0.061 1 1098 116 95 THR H H 8.869 0.005 1 1099 116 95 THR HA H 4.456 0.003 1 1100 116 95 THR HB H 4.238 0.005 1 1101 116 95 THR HG2 H 1.308 0.011 1 1102 116 95 THR C C 174.199 0.005 1 1103 116 95 THR CA C 61.543 0.063 1 1104 116 95 THR CB C 70.226 0.101 1 1105 116 95 THR CG2 C 21.128 0.067 1 1106 116 95 THR N N 116.497 0.058 1 1107 117 96 ASP H H 8.384 0.003 1 1108 117 96 ASP HA H 4.637 0.009 1 1109 117 96 ASP HB2 H 2.682 0.011 1 1110 117 96 ASP HB3 H 2.682 0.011 1 1111 117 96 ASP C C 175.923 0.003 1 1112 117 96 ASP CA C 54.715 0.050 1 1113 117 96 ASP CB C 40.825 0.134 1 1114 117 96 ASP N N 123.390 0.071 1 1115 118 97 GLN H H 8.225 0.004 1 1116 118 97 GLN HA H 4.416 0.005 1 1117 118 97 GLN HB2 H 1.958 0.005 2 1118 118 97 GLN HB3 H 2.125 0.010 2 1119 118 97 GLN HG2 H 2.324 0.007 1 1120 118 97 GLN HG3 H 2.324 0.007 1 1121 118 97 GLN HE21 H 7.720 0.002 2 1122 118 97 GLN HE22 H 7.010 0.004 2 1123 118 97 GLN C C 175.204 0.013 1 1124 118 97 GLN CA C 55.592 0.046 1 1125 118 97 GLN CB C 30.669 0.072 1 1126 118 97 GLN CG C 34.148 0.106 1 1127 118 97 GLN N N 121.491 0.076 1 1128 118 97 GLN NE2 N 112.547 0.088 1 1129 119 98 ASP H H 8.335 0.004 1 1130 119 98 ASP HA H 4.620 0.007 1 1131 119 98 ASP HB2 H 2.575 0.004 2 1132 119 98 ASP HB3 H 2.677 0.011 2 1133 119 98 ASP C C 175.927 0.002 1 1134 119 98 ASP CA C 54.456 0.071 1 1135 119 98 ASP CB C 41.433 0.072 1 1136 119 98 ASP N N 122.053 0.073 1 1137 120 99 ASP H H 8.330 0.006 1 1138 120 99 ASP HA H 4.586 0.004 1 1139 120 99 ASP HB2 H 2.626 0.011 1 1140 120 99 ASP HB3 H 2.626 0.011 1 1141 120 99 ASP C C 175.937 0.012 1 1142 120 99 ASP CA C 54.367 0.048 1 1143 120 99 ASP CB C 41.430 0.119 1 1144 120 99 ASP N N 120.903 0.103 1 1145 121 100 ASP H H 8.260 0.003 1 1146 121 100 ASP HA H 4.553 0.007 1 1147 121 100 ASP HB2 H 2.579 0.014 1 1148 121 100 ASP HB3 H 2.579 0.014 1 1149 121 100 ASP C C 176.110 0.010 1 1150 121 100 ASP CA C 54.249 0.035 1 1151 121 100 ASP CB C 41.282 0.125 1 1152 121 100 ASP N N 120.782 0.087 1 1153 122 101 GLU H H 8.176 0.007 1 1154 122 101 GLU HA H 4.174 0.003 1 1155 122 101 GLU HB2 H 1.867 0.007 2 1156 122 101 GLU HB3 H 1.968 0.006 2 1157 122 101 GLU HG2 H 2.176 0.008 2 1158 122 101 GLU HG3 H 2.222 0.003 2 1159 122 101 GLU C C 175.937 0.000 1 1160 122 101 GLU CA C 56.692 0.053 1 1161 122 101 GLU CB C 30.587 0.090 1 1162 122 101 GLU CG C 36.129 0.031 1 1163 122 101 GLU N N 120.784 0.058 1 1164 123 102 ASP H H 8.272 0.004 1 1165 123 102 ASP HA H 4.514 0.009 1 1166 123 102 ASP HB2 H 2.486 0.018 1 1167 123 102 ASP HB3 H 2.486 0.018 1 1168 123 102 ASP C C 175.748 0.005 1 1169 123 102 ASP CA C 54.183 0.054 1 1170 123 102 ASP CB C 40.856 0.135 1 1171 123 102 ASP N N 121.186 0.044 1 1172 124 103 LEU H H 7.854 0.005 1 1173 124 103 LEU HA H 4.166 0.004 1 1174 124 103 LEU HB2 H 1.071 0.007 2 1175 124 103 LEU HB3 H 1.156 0.009 2 1176 124 103 LEU HG H 1.371 0.012 1 1177 124 103 LEU HD1 H 0.678 0.005 2 1178 124 103 LEU HD2 H 0.702 0.006 2 1179 124 103 LEU C C 177.059 0.006 1 1180 124 103 LEU CA C 54.947 0.070 1 1181 124 103 LEU CB C 42.081 0.050 1 1182 124 103 LEU CG C 26.604 0.063 1 1183 124 103 LEU CD1 C 23.187 0.042 2 1184 124 103 LEU CD2 C 25.339 0.086 2 1185 124 103 LEU N N 122.747 0.088 1 1186 125 104 VAL H H 7.967 0.004 1 1187 125 104 VAL HA H 3.895 0.005 1 1188 125 104 VAL HB H 2.059 0.007 1 1189 125 104 VAL HG1 H 0.947 0.008 2 1190 125 104 VAL HG2 H 0.996 0.006 2 1191 125 104 VAL C C 176.036 0.006 1 1192 125 104 VAL CA C 63.990 0.104 1 1193 125 104 VAL CB C 32.215 0.143 1 1194 125 104 VAL CG1 C 20.995 0.086 2 1195 125 104 VAL CG2 C 21.233 0.069 2 1196 125 104 VAL N N 119.413 0.103 1 1197 126 105 ASP H H 8.196 0.008 1 1198 126 105 ASP HA H 4.787 0.004 1 1199 126 105 ASP HB2 H 2.680 0.006 2 1200 126 105 ASP HB3 H 2.839 0.006 2 1201 126 105 ASP C C 175.098 0.004 1 1202 126 105 ASP CA C 54.262 0.079 1 1203 126 105 ASP CB C 40.883 0.186 1 1204 126 105 ASP N N 121.368 0.072 1 1205 127 106 THR H H 7.793 0.004 1 1206 127 106 THR HA H 4.524 0.004 1 1207 127 106 THR HB H 4.144 0.006 1 1208 127 106 THR HG2 H 1.121 0.004 1 1209 127 106 THR C C 173.621 0.009 1 1210 127 106 THR CA C 63.230 0.061 1 1211 127 106 THR CB C 69.915 0.094 1 1212 127 106 THR CG2 C 22.218 0.108 1 1213 127 106 THR N N 113.621 0.058 1 1214 128 107 CYS H H 8.948 0.010 1 1215 128 107 CYS HA H 5.003 0.009 1 1216 128 107 CYS HB2 H 2.751 0.006 1 1217 128 107 CYS HB3 H 2.751 0.006 1 1218 128 107 CYS C C 171.253 0.006 1 1219 128 107 CYS CA C 59.652 0.045 1 1220 128 107 CYS CB C 43.916 0.044 1 1221 128 107 CYS N N 123.527 0.074 1 1222 129 108 ALA H H 9.183 0.006 1 1223 129 108 ALA HA H 5.319 0.008 1 1224 129 108 ALA HB H 1.168 0.004 1 1225 129 108 ALA C C 175.134 0.005 1 1226 129 108 ALA CA C 50.487 0.088 1 1227 129 108 ALA CB C 24.392 0.074 1 1228 129 108 ALA N N 122.907 0.063 1 1229 130 109 PHE H H 9.281 0.007 1 1230 130 109 PHE HA H 5.191 0.008 1 1231 130 109 PHE HB2 H 2.689 0.012 1 1232 130 109 PHE HB3 H 2.689 0.012 1 1233 130 109 PHE HD1 H 6.873 0.007 1 1234 130 109 PHE HD2 H 6.873 0.007 1 1235 130 109 PHE HE1 H 7.109 0.009 1 1236 130 109 PHE HE2 H 7.109 0.009 1 1237 130 109 PHE HZ H 7.392 0.006 1 1238 130 109 PHE C C 174.902 0.003 1 1239 130 109 PHE CA C 55.946 0.086 1 1240 130 109 PHE CB C 42.981 0.092 1 1241 130 109 PHE CD1 C 131.514 0.106 1 1242 130 109 PHE CD2 C 131.514 0.106 1 1243 130 109 PHE CE1 C 131.491 0.067 1 1244 130 109 PHE CE2 C 131.491 0.067 1 1245 130 109 PHE CZ C 130.760 0.157 1 1246 130 109 PHE N N 117.735 0.056 1 1247 131 110 LEU H H 9.311 0.007 1 1248 131 110 LEU HA H 4.668 0.008 1 1249 131 110 LEU HB2 H 1.057 0.005 2 1250 131 110 LEU HB3 H 1.701 0.008 2 1251 131 110 LEU HG H 1.312 0.007 1 1252 131 110 LEU HD1 H 0.932 0.007 2 1253 131 110 LEU HD2 H 0.645 0.007 2 1254 131 110 LEU C C 174.490 0.007 1 1255 131 110 LEU CA C 54.308 0.058 1 1256 131 110 LEU CB C 44.108 0.074 1 1257 131 110 LEU CG C 27.816 0.057 1 1258 131 110 LEU CD1 C 24.795 0.048 2 1259 131 110 LEU CD2 C 26.028 0.054 2 1260 131 110 LEU N N 123.964 0.096 1 1261 132 111 HIS H H 9.248 0.006 1 1262 132 111 HIS HA H 5.519 0.008 1 1263 132 111 HIS HB2 H 2.771 0.005 2 1264 132 111 HIS HB3 H 3.642 0.006 2 1265 132 111 HIS HD2 H 7.476 0.012 1 1266 132 111 HIS HE1 H 8.305 0.012 1 1267 132 111 HIS C C 175.982 0.009 1 1268 132 111 HIS CA C 54.862 0.094 1 1269 132 111 HIS CB C 29.640 0.083 1 1270 132 111 HIS CD2 C 121.503 0.110 1 1271 132 111 HIS CE1 C 138.743 0.044 1 1272 132 111 HIS N N 128.841 0.070 1 1273 133 112 ILE H H 8.340 0.010 1 1274 133 112 ILE HA H 3.530 0.008 1 1275 133 112 ILE HB H 1.838 0.005 1 1276 133 112 ILE HG12 H 1.240 0.006 2 1277 133 112 ILE HG13 H 1.363 0.005 2 1278 133 112 ILE HG2 H 0.776 0.006 1 1279 133 112 ILE HD1 H 0.686 0.002 1 1280 133 112 ILE C C 176.377 0.000 1 1281 133 112 ILE CA C 64.491 0.093 1 1282 133 112 ILE CB C 37.181 0.055 1 1283 133 112 ILE CG1 C 28.973 0.054 1 1284 133 112 ILE CG2 C 18.274 0.074 1 1285 133 112 ILE CD1 C 13.736 0.069 1 1286 133 112 ILE N N 127.885 0.093 1 1287 134 113 LYS H H 7.951 0.021 1 1288 134 113 LYS HA H 3.948 0.004 1 1289 134 113 LYS HB2 H 1.666 0.005 1 1290 134 113 LYS HB3 H 1.666 0.005 1 1291 134 113 LYS HG2 H 1.359 0.004 2 1292 134 113 LYS HG3 H 1.430 0.007 2 1293 134 113 LYS HE2 H 2.996 0.006 1 1294 134 113 LYS HE3 H 2.996 0.006 1 1295 134 113 LYS C C 177.765 0.001 1 1296 134 113 LYS CA C 59.104 0.072 1 1297 134 113 LYS CB C 32.833 0.057 1 1298 134 113 LYS CG C 25.630 0.106 1 1299 134 113 LYS CD C 28.961 0.000 1 1300 134 113 LYS CE C 42.133 0.075 1 1301 134 113 LYS N N 115.896 0.146 1 1302 135 114 THR H H 6.965 0.007 1 1303 135 114 THR HA H 4.644 0.009 1 1304 135 114 THR HB H 4.406 0.004 1 1305 135 114 THR HG2 H 1.280 0.003 1 1306 135 114 THR C C 176.142 0.009 1 1307 135 114 THR CA C 60.854 0.071 1 1308 135 114 THR CB C 71.440 0.103 1 1309 135 114 THR CG2 C 22.234 0.050 1 1310 135 114 THR N N 101.852 0.084 1 1311 136 115 GLY H H 8.817 0.009 1 1312 136 115 GLY HA2 H 3.565 0.009 2 1313 136 115 GLY HA3 H 4.162 0.006 2 1314 136 115 GLY C C 172.121 0.005 1 1315 136 115 GLY CA C 46.996 0.087 1 1316 136 115 GLY N N 112.055 0.071 1 1317 137 116 GLU H H 7.558 0.007 1 1318 137 116 GLU HA H 4.407 0.011 1 1319 137 116 GLU HB2 H 2.200 0.010 2 1320 137 116 GLU HB3 H 1.971 0.007 2 1321 137 116 GLU HG2 H 2.159 0.009 2 1322 137 116 GLU HG3 H 2.216 0.003 2 1323 137 116 GLU C C 174.691 0.015 1 1324 137 116 GLU CA C 55.409 0.067 1 1325 137 116 GLU CB C 32.248 0.084 1 1326 137 116 GLU CG C 37.021 0.046 1 1327 137 116 GLU N N 115.601 0.051 1 1328 138 117 TRP H H 8.389 0.006 1 1329 138 117 TRP HA H 6.038 0.009 1 1330 138 117 TRP HB2 H 2.354 0.008 2 1331 138 117 TRP HB3 H 2.413 0.009 2 1332 138 117 TRP HD1 H 6.891 0.008 1 1333 138 117 TRP HE1 H 10.483 0.010 1 1334 138 117 TRP HE3 H 5.262 0.006 1 1335 138 117 TRP HZ2 H 7.334 0.008 1 1336 138 117 TRP HZ3 H 6.507 0.008 1 1337 138 117 TRP HH2 H 7.499 0.007 1 1338 138 117 TRP C C 175.697 0.002 1 1339 138 117 TRP CA C 52.766 0.049 1 1340 138 117 TRP CB C 30.661 0.092 1 1341 138 117 TRP CD1 C 124.099 0.115 1 1342 138 117 TRP CE3 C 118.580 0.152 1 1343 138 117 TRP CZ2 C 114.445 0.088 1 1344 138 117 TRP CZ3 C 121.878 0.097 1 1345 138 117 TRP CH2 C 125.188 0.091 1 1346 138 117 TRP N N 120.435 0.107 1 1347 138 117 TRP NE1 N 128.341 0.062 1 1348 139 118 LYS H H 9.619 0.004 1 1349 139 118 LYS HA H 5.194 0.004 1 1350 139 118 LYS HB2 H 1.766 0.006 2 1351 139 118 LYS HB3 H 1.868 0.006 2 1352 139 118 LYS HG2 H 1.339 0.008 2 1353 139 118 LYS HG3 H 1.453 0.009 2 1354 139 118 LYS HD2 H 1.494 0.017 1 1355 139 118 LYS HD3 H 1.494 0.017 1 1356 139 118 LYS HE2 H 2.652 0.009 2 1357 139 118 LYS HE3 H 2.712 0.009 2 1358 139 118 LYS C C 175.533 0.002 1 1359 139 118 LYS CA C 54.504 0.060 1 1360 139 118 LYS CB C 36.387 0.078 1 1361 139 118 LYS CG C 24.648 0.035 1 1362 139 118 LYS CD C 29.168 0.083 1 1363 139 118 LYS CE C 41.904 0.070 1 1364 139 118 LYS N N 121.237 0.082 1 1365 140 119 LYS H H 9.136 0.006 1 1366 140 119 LYS HA H 5.375 0.010 1 1367 140 119 LYS HB2 H 1.662 0.008 2 1368 140 119 LYS HB3 H 1.787 0.007 2 1369 140 119 LYS HG2 H 1.025 0.010 2 1370 140 119 LYS HG3 H 1.227 0.007 2 1371 140 119 LYS HD2 H 1.325 0.006 1 1372 140 119 LYS HD3 H 1.325 0.006 1 1373 140 119 LYS HE2 H 2.062 0.008 2 1374 140 119 LYS HE3 H 1.521 0.007 2 1375 140 119 LYS C C 177.427 0.003 1 1376 140 119 LYS CA C 55.853 0.066 1 1377 140 119 LYS CB C 34.048 0.079 1 1378 140 119 LYS CG C 26.350 0.088 1 1379 140 119 LYS CD C 29.722 0.083 1 1380 140 119 LYS CE C 41.422 0.110 1 1381 140 119 LYS N N 123.008 0.072 1 1382 141 120 GLY H H 9.027 0.007 1 1383 141 120 GLY HA2 H 3.942 0.013 2 1384 141 120 GLY HA3 H 4.415 0.011 2 1385 141 120 GLY C C 171.611 0.006 1 1386 141 120 GLY CA C 45.386 0.066 1 1387 141 120 GLY N N 108.720 0.065 1 1388 142 121 ASN H H 8.577 0.004 1 1389 142 121 ASN HA H 5.030 0.012 1 1390 142 121 ASN HB2 H 2.902 0.005 1 1391 142 121 ASN HB3 H 2.902 0.005 1 1392 142 121 ASN HD21 H 7.749 0.007 2 1393 142 121 ASN HD22 H 7.065 0.006 2 1394 142 121 ASN C C 176.875 0.009 1 1395 142 121 ASN CA C 54.002 0.095 1 1396 142 121 ASN CB C 39.335 0.086 1 1397 142 121 ASN N N 119.095 0.061 1 1398 142 121 ASN ND2 N 113.194 0.117 1 1399 143 122 CYS H H 8.878 0.004 1 1400 143 122 CYS HA H 4.637 0.009 1 1401 143 122 CYS HB2 H 3.052 0.009 2 1402 143 122 CYS HB3 H 3.262 0.004 2 1403 143 122 CYS C C 175.047 0.010 1 1404 143 122 CYS CA C 55.800 0.059 1 1405 143 122 CYS CB C 42.697 0.072 1 1406 143 122 CYS N N 119.578 0.054 1 1407 144 123 GLU H H 8.265 0.004 1 1408 144 123 GLU HA H 4.423 0.006 1 1409 144 123 GLU HB2 H 1.989 0.008 2 1410 144 123 GLU HB3 H 2.114 0.006 2 1411 144 123 GLU HG2 H 2.282 0.008 1 1412 144 123 GLU HG3 H 2.282 0.008 1 1413 144 123 GLU C C 176.624 0.009 1 1414 144 123 GLU CA C 56.241 0.068 1 1415 144 123 GLU CB C 28.660 0.099 1 1416 144 123 GLU CG C 36.297 0.070 1 1417 144 123 GLU N N 122.091 0.100 1 1418 145 124 VAL H H 8.081 0.006 1 1419 145 124 VAL HA H 4.313 0.007 1 1420 145 124 VAL HB H 2.222 0.002 1 1421 145 124 VAL HG1 H 0.807 0.005 2 1422 145 124 VAL HG2 H 0.969 0.005 2 1423 145 124 VAL C C 176.154 0.011 1 1424 145 124 VAL CA C 62.090 0.082 1 1425 145 124 VAL CB C 32.756 0.049 1 1426 145 124 VAL CG1 C 19.172 0.087 2 1427 145 124 VAL CG2 C 21.781 0.053 2 1428 145 124 VAL N N 119.025 0.057 1 1429 146 125 SER H H 8.507 0.005 1 1430 146 125 SER HA H 4.534 0.008 1 1431 146 125 SER HB2 H 4.002 0.013 2 1432 146 125 SER HB3 H 4.063 0.009 2 1433 146 125 SER C C 175.322 0.006 1 1434 146 125 SER CA C 60.396 0.078 1 1435 146 125 SER CB C 63.527 0.075 1 1436 146 125 SER N N 115.815 0.046 1 1437 147 126 SER H H 8.285 0.005 1 1438 147 126 SER HA H 4.864 0.008 1 1439 147 126 SER HB2 H 3.899 0.010 1 1440 147 126 SER HB3 H 3.899 0.010 1 1441 147 126 SER C C 173.912 0.005 1 1442 147 126 SER CA C 58.062 0.096 1 1443 147 126 SER CB C 64.268 0.074 1 1444 147 126 SER N N 116.529 0.083 1 1445 148 127 VAL H H 8.062 0.008 1 1446 148 127 VAL HA H 4.404 0.004 1 1447 148 127 VAL HB H 2.256 0.006 1 1448 148 127 VAL HG1 H 0.996 0.007 2 1449 148 127 VAL HG2 H 1.063 0.006 2 1450 148 127 VAL C C 175.790 0.001 1 1451 148 127 VAL CA C 62.028 0.091 1 1452 148 127 VAL CB C 33.863 0.067 1 1453 148 127 VAL CG1 C 21.009 0.081 2 1454 148 127 VAL CG2 C 22.160 0.023 2 1455 148 127 VAL N N 119.219 0.063 1 1456 149 128 GLU H H 8.750 0.004 1 1457 149 128 GLU HA H 4.338 0.007 1 1458 149 128 GLU HB2 H 1.872 0.008 2 1459 149 128 GLU HB3 H 2.136 0.010 2 1460 149 128 GLU HG2 H 2.198 0.006 2 1461 149 128 GLU HG3 H 2.257 0.020 2 1462 149 128 GLU C C 175.602 0.001 1 1463 149 128 GLU CA C 56.660 0.072 1 1464 149 128 GLU CB C 30.601 0.092 1 1465 149 128 GLU CG C 36.574 0.070 1 1466 149 128 GLU N N 124.048 0.054 1 1467 150 129 GLY H H 7.529 0.003 1 1468 150 129 GLY HA2 H 3.832 0.008 2 1469 150 129 GLY HA3 H 3.888 0.004 2 1470 150 129 GLY C C 172.115 0.005 1 1471 150 129 GLY CA C 45.842 0.055 1 1472 150 129 GLY N N 107.813 0.054 1 1473 151 130 THR H H 7.976 0.004 1 1474 151 130 THR HA H 4.455 0.004 1 1475 151 130 THR HB H 3.623 0.005 1 1476 151 130 THR HG2 H 1.054 0.008 1 1477 151 130 THR C C 171.470 0.005 1 1478 151 130 THR CA C 61.899 0.068 1 1479 151 130 THR CB C 72.125 0.150 1 1480 151 130 THR CG2 C 22.072 0.044 1 1481 151 130 THR N N 118.111 0.046 1 1482 152 131 LEU H H 8.746 0.006 1 1483 152 131 LEU HA H 5.127 0.007 1 1484 152 131 LEU HB2 H 1.413 0.006 2 1485 152 131 LEU HB3 H 1.729 0.003 2 1486 152 131 LEU HG H 1.576 0.008 1 1487 152 131 LEU HD1 H 0.761 0.005 2 1488 152 131 LEU HD2 H 0.764 0.005 2 1489 152 131 LEU C C 175.229 0.005 1 1490 152 131 LEU CA C 53.771 0.105 1 1491 152 131 LEU CB C 44.715 0.101 1 1492 152 131 LEU CG C 27.763 0.088 1 1493 152 131 LEU CD1 C 25.086 0.054 2 1494 152 131 LEU CD2 C 26.518 0.079 2 1495 152 131 LEU N N 128.051 0.056 1 1496 153 132 CYS H H 8.766 0.005 1 1497 153 132 CYS HA H 5.448 0.009 1 1498 153 132 CYS HB2 H 2.230 0.007 2 1499 153 132 CYS HB3 H 2.972 0.006 2 1500 153 132 CYS C C 172.919 0.008 1 1501 153 132 CYS CA C 52.119 0.066 1 1502 153 132 CYS CB C 40.116 0.089 1 1503 153 132 CYS N N 121.008 0.073 1 1504 154 133 LYS H H 9.216 0.004 1 1505 154 133 LYS HA H 5.599 0.013 1 1506 154 133 LYS HB2 H 1.506 0.007 2 1507 154 133 LYS HB3 H 1.694 0.009 2 1508 154 133 LYS HG2 H 0.826 0.009 2 1509 154 133 LYS HG3 H 1.042 0.009 2 1510 154 133 LYS HD2 H 1.761 0.006 1 1511 154 133 LYS HD3 H 1.761 0.006 1 1512 154 133 LYS HE2 H 2.939 0.007 1 1513 154 133 LYS HE3 H 2.939 0.007 1 1514 154 133 LYS C C 175.108 0.012 1 1515 154 133 LYS CA C 54.879 0.070 1 1516 154 133 LYS CB C 38.682 0.069 1 1517 154 133 LYS CG C 25.015 0.124 1 1518 154 133 LYS CD C 31.154 0.087 1 1519 154 133 LYS CE C 42.222 0.038 1 1520 154 133 LYS N N 121.674 0.090 1 1521 155 134 THR H H 9.070 0.005 1 1522 155 134 THR HA H 4.727 0.008 1 1523 155 134 THR HB H 4.048 0.004 1 1524 155 134 THR HG2 H 0.813 0.005 1 1525 155 134 THR C C 171.535 0.008 1 1526 155 134 THR CA C 60.608 0.111 1 1527 155 134 THR CB C 70.966 0.104 1 1528 155 134 THR CG2 C 19.706 0.113 1 1529 155 134 THR N N 120.290 0.070 1 1530 156 135 ALA H H 8.137 0.004 1 1531 156 135 ALA HA H 4.666 0.011 1 1532 156 135 ALA HB H 1.371 0.006 1 1533 156 135 ALA C C 177.887 0.007 1 1534 156 135 ALA CA C 52.143 0.092 1 1535 156 135 ALA CB C 20.066 0.040 1 1536 156 135 ALA N N 128.000 0.090 1 1537 157 136 ILE H H 7.952 0.006 1 1538 157 136 ILE HA H 4.179 0.005 1 1539 157 136 ILE HB H 1.604 0.004 1 1540 157 136 ILE HG12 H 0.940 0.008 2 1541 157 136 ILE HG13 H 1.355 0.003 2 1542 157 136 ILE HG2 H 0.715 0.005 1 1543 157 136 ILE HD1 H 0.734 0.006 1 1544 157 136 ILE CA C 59.805 0.112 1 1545 157 136 ILE CB C 38.613 0.037 1 1546 157 136 ILE CG1 C 27.956 0.105 1 1547 157 136 ILE CG2 C 17.296 0.081 1 1548 157 136 ILE CD1 C 13.946 0.030 1 1549 157 136 ILE N N 121.557 0.155 1 1550 158 137 PRO HA H 4.331 0.005 1 1551 158 137 PRO HB2 H 1.799 0.008 2 1552 158 137 PRO HB3 H 2.118 0.005 2 1553 158 137 PRO HG2 H 1.873 0.005 1 1554 158 137 PRO HG3 H 1.873 0.005 1 1555 158 137 PRO HD2 H 3.618 0.005 2 1556 158 137 PRO HD3 H 3.794 0.007 2 1557 158 137 PRO C C 176.206 0.001 1 1558 158 137 PRO CA C 63.301 0.043 1 1559 158 137 PRO CB C 31.632 0.060 1 1560 158 137 PRO CG C 27.329 0.054 1 1561 158 137 PRO CD C 51.045 0.055 1 1562 159 138 TYR H H 7.827 0.003 1 1563 159 138 TYR HA H 4.476 0.003 1 1564 159 138 TYR HB2 H 2.945 0.005 1 1565 159 138 TYR HB3 H 2.945 0.005 1 1566 159 138 TYR HD1 H 7.071 0.005 1 1567 159 138 TYR HD2 H 7.071 0.005 1 1568 159 138 TYR HE1 H 6.779 0.008 1 1569 159 138 TYR HE2 H 6.779 0.008 1 1570 159 138 TYR C C 175.331 0.005 1 1571 159 138 TYR CA C 57.815 0.059 1 1572 159 138 TYR CB C 38.787 0.092 1 1573 159 138 TYR CD1 C 133.191 0.127 1 1574 159 138 TYR CD2 C 133.191 0.127 1 1575 159 138 TYR CE1 C 118.263 0.109 1 1576 159 138 TYR CE2 C 118.263 0.109 1 1577 159 138 TYR N N 120.116 0.083 1 1578 160 139 LYS H H 8.029 0.003 1 1579 160 139 LYS HA H 4.268 0.004 1 1580 160 139 LYS HB2 H 1.644 0.008 2 1581 160 139 LYS HB3 H 1.770 0.004 2 1582 160 139 LYS HG2 H 1.329 0.007 1 1583 160 139 LYS HG3 H 1.329 0.007 1 1584 160 139 LYS HD2 H 1.627 0.004 1 1585 160 139 LYS HD3 H 1.627 0.004 1 1586 160 139 LYS HE2 H 2.947 0.009 1 1587 160 139 LYS HE3 H 2.947 0.009 1 1588 160 139 LYS C C 174.995 0.007 1 1589 160 139 LYS CA C 56.050 0.062 1 1590 160 139 LYS CB C 33.084 0.055 1 1591 160 139 LYS CG C 24.543 0.061 1 1592 160 139 LYS CD C 28.967 0.065 1 1593 160 139 LYS CE C 42.153 0.060 1 1594 160 139 LYS N N 123.949 0.061 1 1595 161 140 ARG H H 7.852 0.004 1 1596 161 140 ARG HA H 4.117 0.004 1 1597 161 140 ARG HB2 H 1.670 0.008 2 1598 161 140 ARG HB3 H 1.811 0.005 2 1599 161 140 ARG HG2 H 1.564 0.005 1 1600 161 140 ARG HG3 H 1.564 0.005 1 1601 161 140 ARG HD2 H 3.158 0.007 1 1602 161 140 ARG HD3 H 3.158 0.007 1 1603 161 140 ARG HE H 7.150 0.003 1 1604 161 140 ARG C C 180.952 0.000 1 1605 161 140 ARG CA C 57.503 0.046 1 1606 161 140 ARG CB C 31.563 0.051 1 1607 161 140 ARG CG C 27.307 0.064 1 1608 161 140 ARG CD C 43.632 0.085 1 1609 161 140 ARG N N 128.524 0.058 1 1610 161 140 ARG NE N 85.265 0.164 1 stop_ save_