data_11490 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side-chain 1H, 15N and 13C resonance assignments of the microtubule-binding domains of yeast cytoplasmic dynein in the high affinity state ; _BMRB_accession_number 11490 _BMRB_flat_file_name bmr11490.str _Entry_type original _Submission_date 2012-03-09 _Accession_date 2012-03-11 _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 Takarada Osamu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 690 "13C chemical shifts" 435 "15N chemical shifts" 123 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-01-14 original author . stop_ _Original_release_date 2014-01-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone and side-chain 1H, 15N and 13C resonance assignments of the microtubule-binding domain of yeast cytoplasmic dynein in the high and low-affinity states.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23975349 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Takarada Osamu . . 2 Nishida Noritaka . . 3 Kikkawa Masahide . . 4 Shimada Ichio . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR Assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2013 _Details . loop_ _Keyword NMR stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Microtubule-binding domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Microtubule-binding domain' $dynein_microtubule-binding_domain stop_ _System_molecular_weight 16500 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_dynein_microtubule-binding_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common dynein_microtubule-binding_domain _Molecular_mass 16500 _Mol_thiol_state 'free and disulfide bound' loop_ _Biological_function 'Molecular transportation' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 141 _Mol_residue_sequence ; GSHMKSIQDCEPTILEAQRG VKNIKKQQLTEIRSMVNPPS GVKIVMEAVCAILGYQFSNW RDIQQFIRKDDFIHNIVHYD TTLHMKPQIRKYMEEEFLSD PNFTYETINRASKACGPLYQ WVNAQINFSKCLENVDPLRQ E ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 3092 GLY 2 3093 SER 3 3094 HIS 4 3095 MET 5 3096 LYS 6 3097 SER 7 3098 ILE 8 3099 GLN 9 3100 ASP 10 3101 CYS 11 3102 GLU 12 3103 PRO 13 3104 THR 14 3105 ILE 15 3106 LEU 16 3107 GLU 17 3108 ALA 18 3109 GLN 19 3110 ARG 20 3111 GLY 21 3112 VAL 22 3113 LYS 23 3114 ASN 24 3115 ILE 25 3116 LYS 26 3117 LYS 27 3118 GLN 28 3119 GLN 29 3120 LEU 30 3121 THR 31 3122 GLU 32 3123 ILE 33 3124 ARG 34 3125 SER 35 3126 MET 36 3127 VAL 37 3128 ASN 38 3129 PRO 39 3130 PRO 40 3131 SER 41 3132 GLY 42 3133 VAL 43 3134 LYS 44 3135 ILE 45 3136 VAL 46 3137 MET 47 3138 GLU 48 3139 ALA 49 3140 VAL 50 3141 CYS 51 3142 ALA 52 3143 ILE 53 3144 LEU 54 3145 GLY 55 3146 TYR 56 3147 GLN 57 3148 PHE 58 3149 SER 59 3150 ASN 60 3151 TRP 61 3152 ARG 62 3153 ASP 63 3154 ILE 64 3155 GLN 65 3156 GLN 66 3157 PHE 67 3158 ILE 68 3159 ARG 69 3160 LYS 70 3161 ASP 71 3162 ASP 72 3163 PHE 73 3164 ILE 74 3165 HIS 75 3166 ASN 76 3167 ILE 77 3168 VAL 78 3169 HIS 79 3170 TYR 80 3171 ASP 81 3172 THR 82 3173 THR 83 3174 LEU 84 3175 HIS 85 3176 MET 86 3177 LYS 87 3178 PRO 88 3179 GLN 89 3180 ILE 90 3181 ARG 91 3182 LYS 92 3183 TYR 93 3184 MET 94 3185 GLU 95 3186 GLU 96 3187 GLU 97 3188 PHE 98 3189 LEU 99 3190 SER 100 3191 ASP 101 3192 PRO 102 3193 ASN 103 3194 PHE 104 3195 THR 105 3196 TYR 106 3197 GLU 107 3198 THR 108 3199 ILE 109 3200 ASN 110 3201 ARG 111 3202 ALA 112 3203 SER 113 3204 LYS 114 3205 ALA 115 3206 CYS 116 3207 GLY 117 3208 PRO 118 3209 LEU 119 3210 TYR 120 3211 GLN 121 3212 TRP 122 3213 VAL 123 3214 ASN 124 3215 ALA 125 3216 GLN 126 3217 ILE 127 3218 ASN 128 3219 PHE 129 3220 SER 130 3221 LYS 131 3222 CYS 132 3223 LEU 133 3224 GLU 134 3225 ASN 135 3226 VAL 136 3227 ASP 137 3228 PRO 138 3229 LEU 139 3230 ARG 140 3231 GLN 141 3232 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 11495 dynein_microtubule-binding_domain 100.00 141 98.58 98.58 6.67e-99 DBJ GAA24775 "K7_Dyn1p [Saccharomyces cerevisiae Kyokai no. 7]" 97.87 4092 98.55 98.55 3.48e-87 EMBL CAA79923 "heavy chain of cytoplasmic dynein [Saccharomyces cerevisiae]" 97.87 4092 98.55 98.55 2.84e-87 EMBL CAA82132 "DYN1 [Saccharomyces cerevisiae]" 97.87 4092 98.55 98.55 2.63e-87 EMBL CAY81134 "Dyn1p [Saccharomyces cerevisiae EC1118]" 97.87 4092 98.55 98.55 3.13e-87 GB AAA16055 "dynein [Saccharomyces cerevisiae]" 97.87 3457 98.55 98.55 2.06e-87 GB AHY76290 "Dyn1p [Saccharomyces cerevisiae YJM993]" 97.87 4092 98.55 98.55 3.16e-87 GB AJP40084 "Dyn1p [Saccharomyces cerevisiae YJM1078]" 97.87 4092 98.55 98.55 2.98e-87 GB AJS30282 "Dyn1p [Saccharomyces cerevisiae YJM189]" 97.87 4092 98.55 98.55 3.32e-87 GB AJS30583 "Dyn1p [Saccharomyces cerevisiae YJM193]" 97.87 4092 98.55 98.55 3.28e-87 REF NP_012980 "dynein heavy chain [Saccharomyces cerevisiae S288c]" 97.87 4092 98.55 98.55 2.63e-87 SP P36022 "RecName: Full=Dynein heavy chain, cytoplasmic; AltName: Full=Dynein heavy chain, cytosolic; Short=DYHC" 97.87 4092 98.55 98.55 2.63e-87 TPG DAA09205 "TPA: dynein heavy chain [Saccharomyces cerevisiae S288c]" 97.87 4092 98.55 98.55 2.63e-87 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $dynein_microtubule-binding_domain 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $dynein_microtubule-binding_domain 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3)codon+RP pET15b 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 $dynein_microtubule-binding_domain 0.5 mM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 10 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $dynein_microtubule-binding_domain 0.5 mM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 10 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' D2O 100 % . stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.114 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'The cryo probe is equipped with to this spectrometer.' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details 'The cryo probe is equipped with to this spectrometer.' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 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' 200 . 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 _Reference_correction_type DSS C 13 'methyl protons' ppm 0.00 na indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.251449530 0.01538 DSS H 1 'methyl protons' ppm 0.00 internal direct . 'separate tube (no insert) similar to the experimental sample tube' . 1.000000000 0.06116 DSS N 15 'methyl protons' ppm 0.00 na indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.101329118 0.00620 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' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCACB' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Microtubule-binding 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 3092 1 GLY HA2 H 3.888 0.001 2 2 3092 1 GLY CA C 40.638 0.012 1 3 3093 2 SER HA H 4.5 0.001 1 4 3093 2 SER HB2 H 3.843 0.002 2 5 3093 2 SER CA C 55.527 0.005 1 6 3093 2 SER CB C 61.145 0.002 1 7 3094 3 HIS HA H 3.995 0.002 1 8 3094 3 HIS HB2 H 3.111 0.005 1 9 3094 3 HIS HB3 H 3.221 0.005 1 10 3094 3 HIS CA C 54.669 0.005 1 11 3094 3 HIS CB C 27.812 0.002 1 12 3095 4 MET HE H 2.138 0.001 1 13 3095 4 MET HG2 H 2.497 0.007 1 14 3095 4 MET HG3 H 2.571 0.009 1 15 3095 4 MET CE C 13.958 0.009 1 16 3095 4 MET CG C 29.498 0.052 1 17 3096 5 LYS HA H 4.378 0.012 1 18 3096 5 LYS HB2 H 1.826 0.006 1 19 3096 5 LYS HB3 H 1.904 0.004 1 20 3096 5 LYS HD2 H 1.696 0.008 2 21 3096 5 LYS HE2 H 2.997 0.01 2 22 3096 5 LYS HG2 H 1.48 0.009 2 23 3096 5 LYS CA C 54.086 0.032 1 24 3096 5 LYS CB C 30.863 0.095 1 25 3096 5 LYS CD C 26.524 0.039 1 26 3096 5 LYS CE C 39.166 0.041 1 27 3096 5 LYS CG C 22.334 0.055 1 28 3097 6 SER H H 8.52 0.004 1 29 3097 6 SER HA H 4.648 0.02 1 30 3097 6 SER HB2 H 3.899 0.005 1 31 3097 6 SER HB3 H 4.076 0.009 1 32 3097 6 SER CA C 54.673 0.031 1 33 3097 6 SER CB C 62.676 0.021 1 34 3097 6 SER N N 116.074 0.042 1 35 3098 7 ILE H H 8.492 0.007 1 36 3098 7 ILE HA H 3.963 0.009 1 37 3098 7 ILE HB H 1.889 0.011 1 38 3098 7 ILE HD1 H 0.966 0.007 1 39 3098 7 ILE HG12 H 1.283 0.007 1 40 3098 7 ILE HG13 H 1.589 0.009 1 41 3098 7 ILE HG2 H 1.009 0.011 1 42 3098 7 ILE CA C 61.315 0.014 1 43 3098 7 ILE CB C 35.942 0.005 1 44 3098 7 ILE CD1 C 10.873 0.03 1 45 3098 7 ILE CG1 C 25.749 0.05 1 46 3098 7 ILE CG2 C 14.838 0.031 1 47 3098 7 ILE N N 121.406 0.085 1 48 3099 8 GLN H H 8.22 0.009 1 49 3099 8 GLN HA H 4.115 0.009 1 50 3099 8 GLN HB2 H 2.2 0.009 1 51 3099 8 GLN HB3 H 2.391 0.012 1 52 3099 8 GLN HG2 H 2.538 0.004 1 53 3099 8 GLN HG3 H 2.708 0.032 1 54 3099 8 GLN CA C 55.976 0.017 1 55 3099 8 GLN CB C 25.78 0.083 1 56 3099 8 GLN CG C 31.171 0.025 1 57 3099 8 GLN N N 120.185 0.069 1 58 3100 9 ASP H H 7.997 0.002 1 59 3100 9 ASP HA H 4.54 0.004 1 60 3100 9 ASP HB2 H 2.761 0.005 1 61 3100 9 ASP HB3 H 2.944 0.005 1 62 3100 9 ASP CA C 53.586 0.005 1 63 3100 9 ASP CB C 38.544 0.024 1 64 3100 9 ASP N N 118.505 0.026 1 65 3101 10 CYS H H 7.841 0.005 1 66 3101 10 CYS HA H 4.874 0.038 1 67 3101 10 CYS HB2 H 2.851 0.007 1 68 3101 10 CYS HB3 H 3.221 0.012 1 69 3101 10 CYS CA C 52.136 0.035 1 70 3101 10 CYS CB C 37.828 0.03 1 71 3101 10 CYS N N 115.916 0.028 1 72 3102 11 GLU H H 8.234 0.005 1 73 3102 11 GLU N N 123.656 0.045 1 74 3103 12 PRO HA H 4.32 0.01 1 75 3103 12 PRO HB2 H 1.865 0.013 1 76 3103 12 PRO HB3 H 2.428 0.01 1 77 3103 12 PRO HD2 H 3.508 0.007 1 78 3103 12 PRO HD3 H 3.91 0.005 1 79 3103 12 PRO HG2 H 2.004 0.003 1 80 3103 12 PRO HG3 H 2.175 0.015 1 81 3103 12 PRO CA C 64.189 0.092 1 82 3103 12 PRO CB C 28.296 0.108 1 83 3103 12 PRO CD C 48.286 0.028 1 84 3103 12 PRO CG C 25.573 0.032 1 85 3104 13 THR H H 7.749 0.02 1 86 3104 13 THR HA H 4.159 0.004 1 87 3104 13 THR HB H 4.285 0.002 1 88 3104 13 THR HG2 H 1.36 0.006 1 89 3104 13 THR CA C 62.447 0.028 1 90 3104 13 THR CB C 66.644 0.008 1 91 3104 13 THR CG2 C 19.404 0.025 1 92 3104 13 THR N N 108.729 0.026 1 93 3105 14 ILE H H 7.477 0.002 1 94 3105 14 ILE HA H 4.205 0.011 1 95 3105 14 ILE HB H 1.679 0.01 1 96 3105 14 ILE HD1 H 0.486 0.013 1 97 3105 14 ILE HG12 H 1.006 0.013 1 98 3105 14 ILE HG13 H 1.117 0.019 1 99 3105 14 ILE HG2 H 0.629 0.007 1 100 3105 14 ILE CA C 58.37 0.009 1 101 3105 14 ILE CB C 36.223 0.033 1 102 3105 14 ILE CD1 C 10.253 0.032 1 103 3105 14 ILE CG1 C 25.015 0.043 1 104 3105 14 ILE CG2 C 15.409 0.037 1 105 3105 14 ILE N N 118.559 0.021 1 106 3106 15 LEU H H 7.557 0.008 1 107 3106 15 LEU HA H 4.112 0.009 1 108 3106 15 LEU HB2 H 1.579 0.012 1 109 3106 15 LEU HB3 H 1.811 0.009 1 110 3106 15 LEU HD1 H 0.92 0.006 1 111 3106 15 LEU HD2 H 0.885 0.015 1 112 3106 15 LEU HG H 1.69 0.008 1 113 3106 15 LEU CA C 55.779 0.033 1 114 3106 15 LEU CB C 38.763 0.033 1 115 3106 15 LEU CD1 C 22.23 0.107 1 116 3106 15 LEU CD2 C 20.291 0.063 1 117 3106 15 LEU CG C 24.232 0.024 1 118 3106 15 LEU N N 122.589 0.053 1 119 3107 16 GLU H H 8.256 0.009 1 120 3107 16 GLU HA H 4.108 0.004 1 121 3107 16 GLU HB2 H 1.882 0.013 1 122 3107 16 GLU HB3 H 2.031 0.008 1 123 3107 16 GLU HG2 H 2.313 0.01 2 124 3107 16 GLU CA C 56.382 0.005 1 125 3107 16 GLU CB C 26.411 0.021 1 126 3107 16 GLU CG C 33.39 0.06 1 127 3107 16 GLU N N 118.754 0.031 1 128 3108 17 ALA H H 7.928 0.007 1 129 3108 17 ALA HA H 4.374 0.003 1 130 3108 17 ALA HB H 1.527 0.008 1 131 3108 17 ALA CA C 51.363 0.024 1 132 3108 17 ALA CB C 15.911 0.013 1 133 3108 17 ALA N N 121.906 0.047 1 134 3109 18 GLN H H 8.635 0.002 1 135 3109 18 GLN HA H 4.001 0.009 1 136 3109 18 GLN HB2 H 2.139 0.012 1 137 3109 18 GLN HB3 H 2.419 0.01 1 138 3109 18 GLN HG2 H 2.361 0.011 1 139 3109 18 GLN HG3 H 2.656 0.007 1 140 3109 18 GLN CA C 56.885 0.041 1 141 3109 18 GLN CB C 26.416 0.053 1 142 3109 18 GLN CG C 31.828 0.053 1 143 3109 18 GLN N N 119.229 0.04 1 144 3110 19 ARG H H 7.808 0.006 1 145 3110 19 ARG HA H 3.925 0.006 1 146 3110 19 ARG HB2 H 1.972 0.007 2 147 3110 19 ARG HD2 H 3.228 0.002 2 148 3110 19 ARG HG2 H 1.829 0.004 2 149 3110 19 ARG CA C 57.002 0.007 1 150 3110 19 ARG CB C 27.238 0.061 1 151 3110 19 ARG CD C 40.796 0.005 1 152 3110 19 ARG CG C 25.025 0.048 1 153 3110 19 ARG N N 119.185 0.034 1 154 3111 20 GLY H H 7.967 0.005 1 155 3111 20 GLY HA2 H 3.935 0.008 1 156 3111 20 GLY HA3 H 4.041 0.006 1 157 3111 20 GLY CA C 44.382 0.032 1 158 3111 20 GLY N N 104.592 0.059 1 159 3112 21 VAL H H 7.577 0.004 1 160 3112 21 VAL HA H 3.746 0.008 1 161 3112 21 VAL HB H 1.947 0.007 1 162 3112 21 VAL HG1 H 0.661 0.01 1 163 3112 21 VAL HG2 H 0.819 0.006 1 164 3112 21 VAL CA C 62.487 0.037 1 165 3112 21 VAL CB C 28.656 0.05 1 166 3112 21 VAL CG1 C 19.416 0.086 1 167 3112 21 VAL CG2 C 19.521 0.082 1 168 3112 21 VAL N N 118.902 0.052 1 169 3113 22 LYS H H 7.758 0.004 1 170 3113 22 LYS HA H 3.856 0.008 1 171 3113 22 LYS HB2 H 1.862 0.011 1 172 3113 22 LYS HB3 H 1.911 0.009 1 173 3113 22 LYS HD2 H 1.648 0.011 2 174 3113 22 LYS HE2 H 2.908 0.012 2 175 3113 22 LYS HG2 H 1.444 0.009 1 176 3113 22 LYS HG3 H 1.584 0.011 1 177 3113 22 LYS CA C 56.111 0.044 1 178 3113 22 LYS CB C 29.6 0.085 1 179 3113 22 LYS CD C 26.633 0.023 1 180 3113 22 LYS CE C 39.047 0.029 1 181 3113 22 LYS CG C 23.147 0.047 1 182 3113 22 LYS N N 119.051 0.055 1 183 3114 23 ASN H H 7.248 0.002 1 184 3114 23 ASN HA H 4.763 0.008 1 185 3114 23 ASN HB2 H 2.766 0.008 1 186 3114 23 ASN HB3 H 3.036 0.009 1 187 3114 23 ASN CA C 50.203 0.073 1 188 3114 23 ASN CB C 36.634 0.013 1 189 3114 23 ASN N N 113.87 0.041 1 190 3115 24 ILE H H 7.394 0.002 1 191 3115 24 ILE HA H 3.955 0.009 1 192 3115 24 ILE HB H 1.912 0.007 1 193 3115 24 ILE HD1 H 0.979 0.009 1 194 3115 24 ILE HG12 H 1.142 0.008 1 195 3115 24 ILE HG13 H 2.082 0.005 1 196 3115 24 ILE HG2 H 0.962 0.009 1 197 3115 24 ILE CA C 60.909 0.031 1 198 3115 24 ILE CB C 35.473 0.035 1 199 3115 24 ILE CD1 C 11.992 0.024 1 200 3115 24 ILE CG1 C 25.572 0.05 1 201 3115 24 ILE CG2 C 14.621 0.039 1 202 3115 24 ILE N N 122.333 0.06 1 203 3116 25 LYS H H 8.285 0.002 1 204 3116 25 LYS N N 127.757 0.031 1 205 3118 27 GLN HA H 4.137 0.007 1 206 3118 27 GLN HB2 H 2.046 0.002 1 207 3118 27 GLN HB3 H 2.181 0.008 1 208 3118 27 GLN HG2 H 2.508 0.008 2 209 3118 27 GLN CA C 56.43 0.066 1 210 3118 27 GLN CB C 25.116 0.026 1 211 3118 27 GLN CG C 30.829 0.036 1 212 3119 28 GLN H H 7.37 0.004 1 213 3119 28 GLN HA H 4.267 0.009 1 214 3119 28 GLN HB2 H 2.005 0.009 1 215 3119 28 GLN HB3 H 2.574 0.009 1 216 3119 28 GLN HG2 H 2.478 0.006 1 217 3119 28 GLN HG3 H 2.593 0.001 1 218 3119 28 GLN CA C 55.297 0.067 1 219 3119 28 GLN CB C 25.788 0.063 1 220 3119 28 GLN CG C 32.273 0.017 1 221 3119 28 GLN N N 116.684 0.04 1 222 3120 29 LEU H H 7.638 0.004 1 223 3120 29 LEU HA H 4.171 0.009 1 224 3120 29 LEU HB2 H 1.572 0.009 1 225 3120 29 LEU HB3 H 1.91 0.009 1 226 3120 29 LEU HD1 H 0.98 0.024 1 227 3120 29 LEU HD2 H 0.903 0.012 1 228 3120 29 LEU HG H 1.623 0.013 1 229 3120 29 LEU CA C 54.298 0.024 1 230 3120 29 LEU CB C 38.587 0.121 1 231 3120 29 LEU CD1 C 22.215 0.042 1 232 3120 29 LEU CD2 C 20.697 0.018 1 233 3120 29 LEU CG C 24.272 0.115 1 234 3120 29 LEU N N 120.056 0.029 1 235 3121 30 THR H H 8.552 0.007 1 236 3121 30 THR HA H 3.766 0.002 1 237 3121 30 THR HB H 4.269 0.003 1 238 3121 30 THR HG2 H 1.226 0.007 1 239 3121 30 THR CA C 63.962 0.069 1 240 3121 30 THR CB C 65.547 0.032 1 241 3121 30 THR CG2 C 19.345 0.057 1 242 3121 30 THR N N 117.912 0.023 1 243 3122 31 GLU H H 7.763 0.003 1 244 3122 31 GLU HA H 4.053 0.007 1 245 3122 31 GLU HB2 H 2.154 0.003 1 246 3122 31 GLU HB3 H 2.247 0.012 1 247 3122 31 GLU HG2 H 2.492 0.005 2 248 3122 31 GLU CA C 56.957 0.021 1 249 3122 31 GLU CB C 26.829 0.029 1 250 3122 31 GLU CG C 33.753 0.072 1 251 3122 31 GLU N N 121.206 0.041 1 252 3123 32 ILE H H 7.348 0.002 1 253 3123 32 ILE HA H 4.233 0.008 1 254 3123 32 ILE HB H 1.904 0.011 1 255 3123 32 ILE HD1 H 0.919 0.007 1 256 3123 32 ILE HG12 H 1.251 0.005 1 257 3123 32 ILE HG13 H 1.837 0.009 1 258 3123 32 ILE HG2 H 1.063 0.012 1 259 3123 32 ILE CA C 61.616 0.015 1 260 3123 32 ILE CB C 35.542 0.076 1 261 3123 32 ILE CD1 C 11.317 0.02 1 262 3123 32 ILE CG1 C 25.901 0.029 1 263 3123 32 ILE CG2 C 15.411 0.07 1 264 3123 32 ILE N N 117.558 0.042 1 265 3124 33 ARG H H 8.211 0.003 1 266 3124 33 ARG HA H 3.852 0.019 1 267 3124 33 ARG HB2 H 1.862 0.01 1 268 3124 33 ARG HB3 H 1.92 0.003 1 269 3124 33 ARG HD2 H 3.009 0.008 2 270 3124 33 ARG HG2 H 1.707 0.019 2 271 3124 33 ARG CA C 56.398 0.024 1 272 3124 33 ARG CB C 27.529 0.01 1 273 3124 33 ARG CD C 40.874 0.009 1 274 3124 33 ARG CG C 25.848 0.005 1 275 3124 33 ARG N N 117.282 0.057 1 276 3125 34 SER H H 7.61 0.005 1 277 3125 34 SER HA H 4.47 0.011 1 278 3125 34 SER HB2 H 3.976 0.008 2 279 3125 34 SER CA C 55.96 0.012 1 280 3125 34 SER CB C 61.39 0.035 1 281 3125 34 SER N N 111.677 0.053 1 282 3126 35 MET H H 7.554 0.003 1 283 3126 35 MET HA H 4.241 0.007 1 284 3126 35 MET HB2 H 1.763 0.01 1 285 3126 35 MET HB3 H 2.345 0.014 1 286 3126 35 MET HE H 2.124 0.006 1 287 3126 35 MET HG2 H 2.527 0.007 1 288 3126 35 MET HG3 H 3.181 0.007 1 289 3126 35 MET CA C 54.669 0.13 1 290 3126 35 MET CB C 30.531 0.135 1 291 3126 35 MET CE C 14.839 0.022 1 292 3126 35 MET CG C 29.923 0.04 1 293 3126 35 MET N N 122.527 0.01 1 294 3127 36 VAL H H 8.346 0.002 1 295 3127 36 VAL HA H 4.159 0.01 1 296 3127 36 VAL HB H 2.077 0.006 1 297 3127 36 VAL HG1 H 1.034 0.006 1 298 3127 36 VAL HG2 H 1.059 0.012 1 299 3127 36 VAL CA C 60.977 0.02 1 300 3127 36 VAL CB C 29.892 0.109 1 301 3127 36 VAL CG1 C 18.536 0.024 1 302 3127 36 VAL CG2 C 18.39 0.023 1 303 3127 36 VAL N N 123.69 0.018 1 304 3128 37 ASN H H 8.203 0.005 1 305 3128 37 ASN HA H 4.918 0.003 1 306 3128 37 ASN HB2 H 2.586 0.008 1 307 3128 37 ASN HB3 H 2.729 0.007 1 308 3128 37 ASN CA C 47.845 0.015 1 309 3128 37 ASN CB C 36.225 0.034 1 310 3128 37 ASN N N 117.54 0.005 1 311 3129 38 PRO HA H 4.526 0.007 1 312 3129 38 PRO HB2 H 1.32 0.011 1 313 3129 38 PRO HB3 H 1.283 0.011 1 314 3129 38 PRO HD2 H 2.264 0.004 1 315 3129 38 PRO HD3 H 3.114 0.003 1 316 3129 38 PRO HG2 H -0.07 0.006 1 317 3129 38 PRO HG3 H 1.006 0.01 1 318 3129 38 PRO CA C 58.218 0.023 1 319 3129 38 PRO CB C 28.108 0.056 1 320 3129 38 PRO CD C 47.105 0.025 1 321 3129 38 PRO CG C 22.85 0.036 1 322 3130 39 PRO HA H 4.53 0.007 1 323 3130 39 PRO HB2 H 1.868 0.01 1 324 3130 39 PRO HB3 H 2.522 0.009 1 325 3130 39 PRO HD2 H 3.353 0.004 1 326 3130 39 PRO HD3 H 3.927 0.009 1 327 3130 39 PRO HG2 H 1.951 0.004 1 328 3130 39 PRO HG3 H 2.18 0.013 1 329 3130 39 PRO CA C 59.418 0.035 1 330 3130 39 PRO CB C 29.743 0.042 1 331 3130 39 PRO CD C 48.271 0.012 1 332 3130 39 PRO CG C 25.084 0.073 1 333 3131 40 SER HA H 3.89 0.005 1 334 3131 40 SER HB2 H 3.919 0.005 2 335 3131 40 SER CA C 59.701 0.005 1 336 3131 40 SER CB C 59.708 0.005 1 337 3132 41 GLY H H 8.919 0.005 1 338 3132 41 GLY HA2 H 3.547 0.01 1 339 3132 41 GLY HA3 H 3.813 0.004 1 340 3132 41 GLY CA C 44.4 0.019 1 341 3132 41 GLY N N 106.54 0.046 1 342 3133 42 VAL H H 6.731 0.008 1 343 3133 42 VAL HA H 3.924 0.008 1 344 3133 42 VAL HB H 1.945 0.014 1 345 3133 42 VAL HG1 H 0.978 0.007 1 346 3133 42 VAL HG2 H 1.014 0.009 1 347 3133 42 VAL CA C 62.288 0.021 1 348 3133 42 VAL CB C 29.663 0.012 1 349 3133 42 VAL CG1 C 18.93 0.051 1 350 3133 42 VAL CG2 C 20.323 0.061 1 351 3133 42 VAL N N 117.412 0.048 1 352 3134 43 LYS H H 7.494 0.007 1 353 3134 43 LYS HA H 3.875 0.009 1 354 3134 43 LYS HB2 H 1.388 0.007 1 355 3134 43 LYS HB3 H 1.855 0.007 1 356 3134 43 LYS HD2 H 1.576 0.008 2 357 3134 43 LYS HE2 H 2.802 0.01 2 358 3134 43 LYS HG2 H 1.163 0.012 1 359 3134 43 LYS HG3 H 1.278 0.01 1 360 3134 43 LYS CA C 57.942 0.06 1 361 3134 43 LYS CB C 30.076 0.016 1 362 3134 43 LYS CD C 27.017 0.018 1 363 3134 43 LYS CE C 39.078 0.014 1 364 3134 43 LYS CG C 22.44 0.026 1 365 3134 43 LYS N N 118.585 0.033 1 366 3135 44 ILE H H 8.341 0.006 1 367 3135 44 ILE HA H 4.338 0.007 1 368 3135 44 ILE HB H 2.037 0.006 1 369 3135 44 ILE HD1 H 0.993 0.013 1 370 3135 44 ILE HG12 H 1.519 0.007 1 371 3135 44 ILE HG13 H 1.868 0.008 1 372 3135 44 ILE HG2 H 1.119 0.006 1 373 3135 44 ILE CA C 61.889 0.03 1 374 3135 44 ILE CB C 35.17 0.024 1 375 3135 44 ILE CD1 C 11.507 0.056 1 376 3135 44 ILE CG1 C 26.299 0.065 1 377 3135 44 ILE CG2 C 15.35 0.063 1 378 3135 44 ILE N N 115.311 0.052 1 379 3136 45 VAL H H 7.541 0.004 1 380 3136 45 VAL HA H 4.195 0.004 1 381 3136 45 VAL HB H 2.407 0.005 1 382 3136 45 VAL HG1 H 1.322 0.01 1 383 3136 45 VAL HG2 H 1.342 0.007 1 384 3136 45 VAL CA C 63.426 0.02 1 385 3136 45 VAL CB C 28.981 0.068 1 386 3136 45 VAL CG1 C 19.076 0.103 1 387 3136 45 VAL CG2 C 22.173 0.041 1 388 3136 45 VAL N N 120.198 0.058 1 389 3137 46 MET H H 8.127 0.004 1 390 3137 46 MET HA H 4.652 0.004 1 391 3137 46 MET HB2 H 2.05 0.011 1 392 3137 46 MET HB3 H 2.652 0.009 1 393 3137 46 MET HE H 1.998 0.009 1 394 3137 46 MET HG2 H 2.689 0.006 1 395 3137 46 MET HG3 H 3.256 0.006 1 396 3137 46 MET CA C 54.128 0.056 1 397 3137 46 MET CB C 28.153 0.052 1 398 3137 46 MET CE C 14.547 0.066 1 399 3137 46 MET CG C 30.387 0.03 1 400 3137 46 MET N N 118.022 0.027 1 401 3138 47 GLU H H 8.916 0.002 1 402 3138 47 GLU HA H 3.759 0.008 1 403 3138 47 GLU HB2 H 2.348 0.009 1 404 3138 47 GLU HB3 H 2.566 0.008 1 405 3138 47 GLU HG2 H 2.23 0.005 1 406 3138 47 GLU HG3 H 2.804 0.008 1 407 3138 47 GLU CA C 57.679 0.018 1 408 3138 47 GLU CB C 26.982 0.059 1 409 3138 47 GLU CG C 34.421 0.056 1 410 3138 47 GLU N N 121.61 0.052 1 411 3139 48 ALA H H 8.12 0.006 1 412 3139 48 ALA HA H 3.448 0.007 1 413 3139 48 ALA HB H 1.222 0.003 1 414 3139 48 ALA CA C 52.663 0.011 1 415 3139 48 ALA CB C 15.867 0.035 1 416 3139 48 ALA N N 122.12 0.03 1 417 3140 49 VAL H H 8.522 0.011 1 418 3140 49 VAL HA H 3.655 0.009 1 419 3140 49 VAL HB H 2.485 0.012 1 420 3140 49 VAL HG1 H 0.979 0.008 1 421 3140 49 VAL HG2 H 1.304 0.006 1 422 3140 49 VAL CA C 64.636 0.066 1 423 3140 49 VAL CB C 29.576 0.048 1 424 3140 49 VAL CG1 C 19.199 0.039 1 425 3140 49 VAL CG2 C 21.83 0.055 1 426 3140 49 VAL N N 117.626 0.035 1 427 3141 50 CYS H H 8.278 0.001 1 428 3141 50 CYS HA H 4.003 0.008 1 429 3141 50 CYS HB2 H 2.872 0.003 1 430 3141 50 CYS HB3 H 3.168 0.007 1 431 3141 50 CYS CA C 62.848 0.04 1 432 3141 50 CYS CB C 23.972 0.014 1 433 3141 50 CYS N N 115.341 0.056 1 434 3142 51 ALA H H 8.289 0.003 1 435 3142 51 ALA HA H 4.322 0.003 1 436 3142 51 ALA HB H 1.726 0.007 1 437 3142 51 ALA CA C 52.41 0.013 1 438 3142 51 ALA CB C 15.646 0.015 1 439 3142 51 ALA N N 118.667 0.088 1 440 3143 52 ILE H H 8.149 0.006 1 441 3143 52 ILE HA H 3.684 0.007 1 442 3143 52 ILE HB H 2.125 0.005 1 443 3143 52 ILE HD1 H 0.7 0.005 1 444 3143 52 ILE HG12 H 1.07 0.008 1 445 3143 52 ILE HG13 H 1.93 0.009 1 446 3143 52 ILE HG2 H 0.598 0.01 1 447 3143 52 ILE CA C 62.693 0.019 1 448 3143 52 ILE CB C 34.739 0.023 1 449 3143 52 ILE CD1 C 11.928 0.052 1 450 3143 52 ILE CG1 C 27.257 0.031 1 451 3143 52 ILE CG2 C 15.247 0.035 1 452 3143 52 ILE N N 120.8 0.079 1 453 3144 53 LEU H H 7.822 0.016 1 454 3144 53 LEU HA H 4.187 0.009 1 455 3144 53 LEU HB2 H 1.616 0.01 1 456 3144 53 LEU HB3 H 1.839 0.004 1 457 3144 53 LEU HD1 H 1.965 0.007 1 458 3144 53 LEU HD2 H 0.809 0.008 1 459 3144 53 LEU HG H 0.832 0.006 1 460 3144 53 LEU CA C 53.269 0.019 1 461 3144 53 LEU CB C 38.987 0.005 1 462 3144 53 LEU CD1 C 23.887 0.048 1 463 3144 53 LEU CD2 C 20.108 0.043 1 464 3144 53 LEU CG C 23.637 0.098 1 465 3144 53 LEU N N 117.219 0.009 1 466 3145 54 GLY H H 7.726 0.002 1 467 3145 54 GLY HA2 H 3.653 0.008 1 468 3145 54 GLY HA3 H 4.105 0.005 1 469 3145 54 GLY CA C 42.48 0.014 1 470 3145 54 GLY N N 106.524 0.021 1 471 3146 55 TYR H H 8.146 0.002 1 472 3146 55 TYR HA H 4.319 0.007 1 473 3146 55 TYR HB2 H 1.905 0.009 1 474 3146 55 TYR HB3 H 2.109 0.01 1 475 3146 55 TYR HD1 H 6.632 0.009 3 476 3146 55 TYR HE1 H 6.694 0.009 3 477 3146 55 TYR CA C 53.549 0.013 1 478 3146 55 TYR CB C 36.224 0.034 1 479 3146 55 TYR CD1 C 130.339 0.06 3 480 3146 55 TYR CE1 C 115.781 0.063 3 481 3146 55 TYR N N 121.735 0.051 1 482 3147 56 GLN H H 8.219 0.001 1 483 3147 56 GLN HA H 4.253 0.005 1 484 3147 56 GLN HB2 H 1.799 0.008 1 485 3147 56 GLN HB3 H 1.886 0.012 1 486 3147 56 GLN HG2 H 2.148 0.011 1 487 3147 56 GLN HG3 H 2.188 0.01 1 488 3147 56 GLN CA C 52.187 0.025 1 489 3147 56 GLN CB C 26.11 0.057 1 490 3147 56 GLN CG C 31 0.013 1 491 3147 56 GLN N N 124.203 0.132 1 492 3148 57 PHE H H 7.874 0.009 1 493 3148 57 PHE HA H 5.068 0.005 1 494 3148 57 PHE HB2 H 3.047 0.012 1 495 3148 57 PHE HB3 H 3.12 0.014 1 496 3148 57 PHE HD1 H 7.096 0.006 3 497 3148 57 PHE CA C 52.682 0.006 1 498 3148 57 PHE CB C 39.877 0.054 1 499 3148 57 PHE CD1 C 129.816 0.107 3 500 3148 57 PHE N N 120.593 0.081 1 501 3149 58 SER H H 9.674 0.002 1 502 3149 58 SER HA H 4.748 0.004 1 503 3149 58 SER HB2 H 3.93 0.007 2 504 3149 58 SER CA C 55.836 0.011 1 505 3149 58 SER CB C 62.333 0.001 1 506 3149 58 SER N N 114.93 0.034 1 507 3150 59 ASN H H 7.994 0.007 1 508 3150 59 ASN HA H 5.055 0.001 1 509 3150 59 ASN HB2 H 3.11 0.008 1 510 3150 59 ASN HB3 H 3.135 0.006 1 511 3150 59 ASN CA C 49.608 0.004 1 512 3150 59 ASN CB C 37.744 0.026 1 513 3150 59 ASN N N 117.138 0.067 1 514 3151 60 TRP HA H 4.58 0.01 1 515 3151 60 TRP HB2 H 3.234 0.005 1 516 3151 60 TRP HB3 H 3.405 0.009 1 517 3151 60 TRP HD1 H 7.131 0.012 1 518 3151 60 TRP HE1 H 9.926 0.002 1 519 3151 60 TRP HH2 H 6.713 0.007 1 520 3151 60 TRP HZ3 H 7.486 0.015 1 521 3151 60 TRP CA C 56.595 0.04 1 522 3151 60 TRP CB C 27.381 0.053 1 523 3151 60 TRP CD1 C 125.12 0.069 1 524 3151 60 TRP CH2 C 120.834 0.05 1 525 3151 60 TRP CZ3 C 111.928 0.044 1 526 3151 60 TRP NE1 N 128.015 0.042 1 527 3152 61 ARG H H 8.296 0.009 1 528 3152 61 ARG HA H 4.056 0.006 1 529 3152 61 ARG HB2 H 1.803 0.006 1 530 3152 61 ARG HB3 H 1.888 0.011 1 531 3152 61 ARG HD2 H 3.219 0.007 2 532 3152 61 ARG HG2 H 1.63 0.014 1 533 3152 61 ARG HG3 H 1.755 0.004 1 534 3152 61 ARG CA C 56.47 0.042 1 535 3152 61 ARG CB C 26.094 0.077 1 536 3152 61 ARG CD C 40.546 0.023 1 537 3152 61 ARG CG C 24.675 0.132 1 538 3152 61 ARG N N 118.839 0.085 1 539 3153 62 ASP H H 7.796 0.005 1 540 3153 62 ASP HA H 4.226 0.012 1 541 3153 62 ASP HB2 H 2.527 0.008 1 542 3153 62 ASP HB3 H 2.844 0.011 1 543 3153 62 ASP CA C 54.28 0.089 1 544 3153 62 ASP CB C 38.502 0.028 1 545 3153 62 ASP N N 118.178 0.043 1 546 3154 63 ILE H H 7.065 0.006 1 547 3154 63 ILE HA H 3.278 0.005 1 548 3154 63 ILE HB H 1.51 0.007 1 549 3154 63 ILE HD1 H 0.64 0.006 1 550 3154 63 ILE HG12 H 0.911 0.007 1 551 3154 63 ILE HG13 H 1.579 0.008 1 552 3154 63 ILE HG2 H 0.448 0.012 1 553 3154 63 ILE CA C 62.491 0.031 1 554 3154 63 ILE CB C 34.211 0.033 1 555 3154 63 ILE CD1 C 10.766 0.046 1 556 3154 63 ILE CG1 C 26.669 0.012 1 557 3154 63 ILE CG2 C 15.051 0.016 1 558 3154 63 ILE N N 121.344 0.021 1 559 3155 64 GLN HA H 3.163 0.008 1 560 3155 64 GLN HB2 H 1.508 0.005 1 561 3155 64 GLN HB3 H 1.649 0.007 1 562 3155 64 GLN HG2 H 1.658 0.006 2 563 3155 64 GLN CA C 56.563 0.014 1 564 3155 64 GLN CB C 26.203 0.028 1 565 3155 64 GLN CG C 31.706 0.037 1 566 3156 65 GLN H H 7.264 0.004 1 567 3156 65 GLN HA H 3.788 0.008 1 568 3156 65 GLN HB2 H 1.997 0.003 2 569 3156 65 GLN HG2 H 2.353 0.003 1 570 3156 65 GLN HG3 H 2.398 0.008 1 571 3156 65 GLN CA C 55.56 0.027 1 572 3156 65 GLN CB C 25.524 0.008 1 573 3156 65 GLN CG C 30.981 0.028 1 574 3156 65 GLN N N 114.35 0.043 1 575 3157 66 PHE H H 7.259 0.003 1 576 3157 66 PHE HA H 4.199 0.005 1 577 3157 66 PHE HB2 H 2.839 0.006 1 578 3157 66 PHE HB3 H 2.904 0.014 1 579 3157 66 PHE HD1 H 7 0.014 3 580 3157 66 PHE CA C 57.954 0.067 1 581 3157 66 PHE CB C 36.874 0.014 1 582 3157 66 PHE N N 119.857 0.015 1 583 3158 67 ILE H H 7.91 0.004 1 584 3158 67 ILE HA H 2.916 0.006 1 585 3158 67 ILE HB H 1.192 0.007 1 586 3158 67 ILE HD1 H 0.491 0.009 1 587 3158 67 ILE HG12 H 0.839 0.014 1 588 3158 67 ILE HG13 H 1.057 0.009 1 589 3158 67 ILE HG2 H 0.339 0.01 1 590 3158 67 ILE CA C 60.139 0.015 1 591 3158 67 ILE CB C 34.7 0.021 1 592 3158 67 ILE CD1 C 11.927 0.04 1 593 3158 67 ILE CG1 C 23.8 0.037 1 594 3158 67 ILE CG2 C 14.806 0.016 1 595 3158 67 ILE N N 113.171 0.028 1 596 3159 68 ARG H H 7.162 0.003 1 597 3159 68 ARG HA H 3.776 0.014 1 598 3159 68 ARG HB2 H 1.736 0.004 1 599 3159 68 ARG HB3 H 1.842 0.004 1 600 3159 68 ARG HD2 H 3.014 0.012 1 601 3159 68 ARG HD3 H 3.046 0.009 1 602 3159 68 ARG HG2 H 1.565 0.007 1 603 3159 68 ARG HG3 H 1.733 0.008 1 604 3159 68 ARG CA C 54.565 0.05 1 605 3159 68 ARG CB C 28.347 0.099 1 606 3159 68 ARG CD C 41.007 0.039 1 607 3159 68 ARG CG C 25.709 0.031 1 608 3159 68 ARG N N 117.535 0.032 1 609 3160 69 LYS H H 7.214 0.007 1 610 3160 69 LYS N N 119.769 0.029 1 611 3161 70 ASP HA H 4.394 0.001 1 612 3161 70 ASP HB2 H 2.63 0.005 1 613 3161 70 ASP HB3 H 2.682 0.015 1 614 3161 70 ASP CA C 53.948 0.014 1 615 3161 70 ASP CB C 38.039 0.011 1 616 3162 71 ASP H H 8.25 0.005 1 617 3162 71 ASP HA H 4.581 0.005 1 618 3162 71 ASP HB2 H 2.574 0.006 1 619 3162 71 ASP HB3 H 2.842 0.006 1 620 3162 71 ASP CA C 50.742 0.015 1 621 3162 71 ASP CB C 36.947 0.021 1 622 3162 71 ASP N N 115.847 0.035 1 623 3163 72 PHE H H 7.384 0.003 1 624 3163 72 PHE HA H 4.128 0.01 1 625 3163 72 PHE HB2 H 2.826 0.006 1 626 3163 72 PHE HB3 H 3.335 0.009 1 627 3163 72 PHE HD1 H 6.974 0.004 3 628 3163 72 PHE HE1 H 6.963 0.006 3 629 3163 72 PHE CA C 59.196 0.006 1 630 3163 72 PHE CB C 36.846 0.052 1 631 3163 72 PHE CD1 C 129.971 0.071 3 632 3163 72 PHE CE1 C 127.904 0.1 3 633 3163 72 PHE N N 120.999 0.068 1 634 3164 73 ILE H H 7.978 0.009 1 635 3164 73 ILE HA H 3.333 0.006 1 636 3164 73 ILE HB H 2.004 0.004 1 637 3164 73 ILE HD1 H 0.65 0.003 1 638 3164 73 ILE HG12 H 1.474 0.019 1 639 3164 73 ILE HG13 H 1.524 0.003 1 640 3164 73 ILE HG2 H 0.761 0.017 1 641 3164 73 ILE CA C 59.309 0.048 1 642 3164 73 ILE CB C 32.802 0.021 1 643 3164 73 ILE CD1 C 7.202 0.045 1 644 3164 73 ILE CG1 C 24.95 0.037 1 645 3164 73 ILE CG2 C 14.594 0.043 1 646 3164 73 ILE N N 116.014 0.083 1 647 3165 74 HIS H H 7.955 0.003 1 648 3165 74 HIS HA H 4.062 0.008 1 649 3165 74 HIS HB2 H 3.089 0.006 1 650 3165 74 HIS HB3 H 3.214 0.006 1 651 3165 74 HIS CA C 57.767 0.029 1 652 3165 74 HIS CB C 27.416 0.034 1 653 3165 74 HIS N N 120.141 0.06 1 654 3166 75 ASN H H 8.445 0.005 1 655 3166 75 ASN HA H 4.463 0.007 1 656 3166 75 ASN HB2 H 2.776 0.016 1 657 3166 75 ASN HB3 H 2.999 0.003 1 658 3166 75 ASN CA C 52.456 0.023 1 659 3166 75 ASN CB C 34.963 0.034 1 660 3166 75 ASN N N 116.333 0.052 1 661 3167 76 ILE H H 7.193 0.005 1 662 3167 76 ILE HA H 3.356 0.007 1 663 3167 76 ILE HB H 1.31 0.009 1 664 3167 76 ILE HD1 H -0.246 0.011 1 665 3167 76 ILE HG12 H -0.176 0.016 1 666 3167 76 ILE HG13 H 1.12 0.005 1 667 3167 76 ILE HG2 H -0.779 0.01 1 668 3167 76 ILE CA C 61.651 0.029 1 669 3167 76 ILE CB C 35.087 0.013 1 670 3167 76 ILE CD1 C 10.867 0.005 1 671 3167 76 ILE CG1 C 25.431 0.023 1 672 3167 76 ILE CG2 C 12.579 0.024 1 673 3167 76 ILE N N 119.514 0.035 1 674 3168 77 VAL H H 8.192 0.005 1 675 3168 77 VAL HA H 3.323 0.01 1 676 3168 77 VAL HB H 1.835 0.006 1 677 3168 77 VAL HG1 H 0.42 0.011 1 678 3168 77 VAL HG2 H 0.807 0.008 1 679 3168 77 VAL CA C 63.734 0.023 1 680 3168 77 VAL CB C 29.167 0.052 1 681 3168 77 VAL CG1 C 18.373 0.036 1 682 3168 77 VAL CG2 C 20.26 0.043 1 683 3168 77 VAL N N 118.299 0.058 1 684 3169 78 HIS H H 7.933 0.003 1 685 3169 78 HIS HA H 4.495 0.005 1 686 3169 78 HIS HB2 H 2.669 0.008 1 687 3169 78 HIS HB3 H 3.357 0.009 1 688 3169 78 HIS HD2 H 6.598 0.006 1 689 3169 78 HIS HE1 H 7.547 0.002 1 690 3169 78 HIS CA C 53.214 0.05 1 691 3169 78 HIS CB C 25.046 0.019 1 692 3169 78 HIS CD2 C 119.196 0.077 1 693 3169 78 HIS CE1 C 135.58 0.063 1 694 3169 78 HIS N N 114.082 0.029 1 695 3170 79 TYR H H 7.071 0.003 1 696 3170 79 TYR HA H 4.356 0.004 1 697 3170 79 TYR HB2 H 3.094 0.012 1 698 3170 79 TYR HB3 H 3.659 0.01 1 699 3170 79 TYR HD1 H 7.082 0.024 3 700 3170 79 TYR HE1 H 6.707 0.007 3 701 3170 79 TYR CA C 56.913 0.05 1 702 3170 79 TYR CB C 36.922 0.039 1 703 3170 79 TYR CD1 C 131.091 0.056 3 704 3170 79 TYR CE1 C 116.768 0.118 3 705 3170 79 TYR N N 123.568 0.021 1 706 3171 80 ASP H H 8.362 0.005 1 707 3171 80 ASP HA H 4.655 0.003 1 708 3171 80 ASP HB2 H 2.49 0.002 1 709 3171 80 ASP HB3 H 2.741 0.004 1 710 3171 80 ASP CA C 50.058 0.032 1 711 3171 80 ASP CB C 37.755 0.023 1 712 3171 80 ASP N N 129.655 0.044 1 713 3172 81 THR HA H 3.837 0.009 1 714 3172 81 THR HB H 4.043 0.002 1 715 3172 81 THR HG2 H 1.305 0.003 1 716 3172 81 THR CA C 62.695 0.04 1 717 3172 81 THR CB C 66.481 0.017 1 718 3172 81 THR CG2 C 19.607 0.031 1 719 3173 82 THR H H 8.149 0.006 1 720 3173 82 THR HA H 4.072 0.009 1 721 3173 82 THR HB H 4.219 0.008 1 722 3173 82 THR HG2 H 1.23 0.004 1 723 3173 82 THR CA C 61.474 0.009 1 724 3173 82 THR CB C 66.004 0.005 1 725 3173 82 THR CG2 C 19.17 0.025 1 726 3173 82 THR N N 112.081 0.046 1 727 3174 83 LEU H H 7.284 0.006 1 728 3174 83 LEU HA H 4.211 0.005 1 729 3174 83 LEU HB2 H 1.224 0.011 1 730 3174 83 LEU HB3 H 1.349 0.006 1 731 3174 83 LEU HD1 H 0.821 0.002 1 732 3174 83 LEU HD2 H 0.742 0.002 1 733 3174 83 LEU HG H 1.266 0.013 1 734 3174 83 LEU CA C 52.749 0.043 1 735 3174 83 LEU CB C 39.792 0.044 1 736 3174 83 LEU CD1 C 21.827 0.038 1 737 3174 83 LEU CD2 C 21.082 0.016 1 738 3174 83 LEU CG C 23.904 0.005 1 739 3174 83 LEU N N 121.566 0.031 1 740 3175 84 HIS HA H 4.706 0.007 1 741 3175 84 HIS HB2 H 3.127 0.007 1 742 3175 84 HIS HB3 H 3.205 0.009 1 743 3175 84 HIS CA C 53.556 0.075 1 744 3175 84 HIS CB C 27.759 0.024 1 745 3176 85 MET H H 8.309 0.004 1 746 3176 85 MET HE H 1.998 0.007 1 747 3176 85 MET CE C 14.223 0.005 1 748 3176 85 MET N N 121.645 0.033 1 749 3177 86 LYS H H 8.522 0.008 1 750 3177 86 LYS N N 122.638 0.005 1 751 3178 87 PRO HA H 4.193 0.008 1 752 3178 87 PRO HB2 H 2 0.007 1 753 3178 87 PRO HB3 H 2.426 0.005 1 754 3178 87 PRO HD2 H 3.872 0.007 2 755 3178 87 PRO HG2 H 2.092 0.001 1 756 3178 87 PRO HG3 H 2.215 0.005 1 757 3178 87 PRO CA C 63.411 0.015 1 758 3178 87 PRO CB C 29.278 0.023 1 759 3178 87 PRO CD C 48.149 0.028 1 760 3178 87 PRO CG C 25.19 0.126 1 761 3179 88 GLN H H 9.015 0.002 1 762 3179 88 GLN N N 115.814 0.057 1 763 3180 89 ILE H H 7.312 0.003 1 764 3180 89 ILE HA H 4.069 0.009 1 765 3180 89 ILE HB H 2.212 0.007 1 766 3180 89 ILE HD1 H 0.97 0.003 1 767 3180 89 ILE HG12 H 1.374 0.005 1 768 3180 89 ILE HG13 H 1.689 0.008 1 769 3180 89 ILE HG2 H 1.081 0.009 1 770 3180 89 ILE CA C 60.144 0.018 1 771 3180 89 ILE CB C 34.59 0.099 1 772 3180 89 ILE CD1 C 9.131 0.052 1 773 3180 89 ILE CG1 C 25.725 0.03 1 774 3180 89 ILE CG2 C 15.048 0.023 1 775 3180 89 ILE N N 120.472 0.021 1 776 3181 90 ARG H H 7.867 0.005 1 777 3181 90 ARG HA H 3.784 0.009 1 778 3181 90 ARG HB2 H 1.756 0.01 1 779 3181 90 ARG HB3 H 2.015 0.006 1 780 3181 90 ARG HD2 H 3.197 0.008 2 781 3181 90 ARG HG2 H 1.646 0.005 2 782 3181 90 ARG CA C 57.833 0.021 1 783 3181 90 ARG CB C 26.477 0.003 1 784 3181 90 ARG CD C 40.413 0.08 1 785 3181 90 ARG CG C 24.652 0.005 1 786 3181 90 ARG N N 121.73 0.024 1 787 3182 91 LYS H H 8.162 0.005 1 788 3182 91 LYS N N 118.023 0.036 1 789 3183 92 TYR H H 7.533 0.001 1 790 3183 92 TYR HA H 4.43 0.005 1 791 3183 92 TYR HB2 H 3.268 0.008 2 792 3183 92 TYR HD1 H 7.132 0.015 3 793 3183 92 TYR HE1 H 6.805 0.003 3 794 3183 92 TYR CA C 58.12 0.031 1 795 3183 92 TYR CB C 35.619 0.017 1 796 3183 92 TYR CD1 C 131 0.095 3 797 3183 92 TYR CE1 C 115.701 0.056 3 798 3183 92 TYR N N 119.829 0.005 1 799 3184 93 MET H H 8.451 0.002 1 800 3184 93 MET HA H 4.381 0.01 1 801 3184 93 MET HB2 H 1.843 0.012 1 802 3184 93 MET HB3 H 2.439 0.011 1 803 3184 93 MET HE H 1.825 0.006 1 804 3184 93 MET HG2 H 2.591 0.006 1 805 3184 93 MET HG3 H 2.965 0.006 1 806 3184 93 MET CA C 54.228 0.044 1 807 3184 93 MET CB C 28.028 0.063 1 808 3184 93 MET CE C 14.847 0.012 1 809 3184 93 MET CG C 29.694 0.022 1 810 3184 93 MET N N 116.101 0.064 1 811 3185 94 GLU H H 8.446 0.003 1 812 3185 94 GLU HA H 3.936 0.009 1 813 3185 94 GLU HB2 H 2.091 0.003 1 814 3185 94 GLU HB3 H 2.342 0.006 1 815 3185 94 GLU HG2 H 2.2 0.003 1 816 3185 94 GLU HG3 H 2.541 0.004 1 817 3185 94 GLU CA C 57.243 0.093 1 818 3185 94 GLU CB C 27.23 0.037 1 819 3185 94 GLU CG C 34.476 0.043 1 820 3185 94 GLU N N 119.798 0.02 1 821 3186 95 GLU H H 8.245 0.004 1 822 3186 95 GLU HA H 4.016 0.013 1 823 3186 95 GLU HB2 H 1.958 0.01 1 824 3186 95 GLU HB3 H 2.096 0.002 1 825 3186 95 GLU HG2 H 2.246 0.007 1 826 3186 95 GLU HG3 H 2.502 0.009 1 827 3186 95 GLU CA C 56.049 0.046 1 828 3186 95 GLU CB C 27.386 0.008 1 829 3186 95 GLU CG C 33.998 0.065 1 830 3186 95 GLU N N 117.219 0.015 1 831 3187 96 GLU H H 8.392 0.002 1 832 3187 96 GLU HA H 4.122 0.011 1 833 3187 96 GLU HB2 H 1.206 0.006 2 834 3187 96 GLU HG2 H 1.452 0.006 1 835 3187 96 GLU HG3 H 1.763 0.006 1 836 3187 96 GLU CA C 54.392 0.002 1 837 3187 96 GLU CB C 27.131 0.043 1 838 3187 96 GLU CG C 32.172 0.016 1 839 3187 96 GLU N N 117.173 0.074 1 840 3188 97 PHE H H 7.443 0.007 1 841 3188 97 PHE HA H 4.564 0.014 1 842 3188 97 PHE HB2 H 2.166 0.006 1 843 3188 97 PHE HB3 H 2.756 0.009 1 844 3188 97 PHE CA C 56.628 0.008 1 845 3188 97 PHE CB C 37.015 0.052 1 846 3188 97 PHE N N 114.515 0.011 1 847 3189 98 LEU H H 7.962 0.007 1 848 3189 98 LEU HA H 4.245 0.009 1 849 3189 98 LEU HB2 H 1.872 0.004 1 850 3189 98 LEU HB3 H 1.911 0.005 1 851 3189 98 LEU HD1 H 0.924 0.005 1 852 3189 98 LEU HD2 H 0.954 0.012 1 853 3189 98 LEU HG H 1.772 0.007 1 854 3189 98 LEU CA C 55.035 0.036 1 855 3189 98 LEU CB C 38.138 0.033 1 856 3189 98 LEU CD1 C 22.469 0.111 1 857 3189 98 LEU CD2 C 20.771 0.034 1 858 3189 98 LEU CG C 25.6 0.042 1 859 3189 98 LEU N N 115.886 0.045 1 860 3190 99 SER H H 7.331 0.003 1 861 3190 99 SER HA H 4.406 0.005 1 862 3190 99 SER HB2 H 3.921 0.006 1 863 3190 99 SER HB3 H 3.98 0.007 1 864 3190 99 SER CA C 55.501 0.01 1 865 3190 99 SER CB C 60.995 0.038 1 866 3190 99 SER N N 110.393 0.053 1 867 3191 100 ASP H H 7.608 0.006 1 868 3191 100 ASP HA H 4.874 0.004 1 869 3191 100 ASP HB2 H 2.519 0.009 1 870 3191 100 ASP HB3 H 3.226 0.006 1 871 3191 100 ASP CA C 49.034 0.032 1 872 3191 100 ASP CB C 40.055 0.028 1 873 3191 100 ASP N N 125.639 0.069 1 874 3192 101 PRO HA H 4.413 0.01 1 875 3192 101 PRO HB2 H 1.958 0.013 1 876 3192 101 PRO HB3 H 2.352 0.012 1 877 3192 101 PRO HD2 H 3.994 0.01 2 878 3192 101 PRO HG2 H 2.049 0.009 2 879 3192 101 PRO CA C 61.456 0.049 1 880 3192 101 PRO CB C 29.552 0.032 1 881 3192 101 PRO CD C 48.52 0.013 1 882 3192 101 PRO CG C 24.462 0.029 1 883 3193 102 ASN H H 9.103 0.003 1 884 3193 102 ASN HA H 4.766 0.012 1 885 3193 102 ASN HB2 H 2.774 0.008 2 886 3193 102 ASN CA C 50.965 0.022 1 887 3193 102 ASN CB C 36.243 0.017 1 888 3193 102 ASN N N 115.018 0.056 1 889 3194 103 PHE H H 8.333 0.003 1 890 3194 103 PHE HA H 4.719 0.005 1 891 3194 103 PHE HB2 H 2.959 0.005 1 892 3194 103 PHE HB3 H 3.892 0.009 1 893 3194 103 PHE HD1 H 7.476 0.006 3 894 3194 103 PHE HE1 H 7.114 0.012 3 895 3194 103 PHE HZ H 6.874 0.007 1 896 3194 103 PHE CA C 54.232 0.046 1 897 3194 103 PHE CB C 36.068 0.051 1 898 3194 103 PHE CD1 C 130.827 0.087 3 899 3194 103 PHE CE1 C 128.478 0.005 3 900 3194 103 PHE CZ C 125.803 0.005 1 901 3194 103 PHE N N 124.97 0.046 1 902 3195 104 THR H H 7.296 0.009 1 903 3195 104 THR HA H 4.501 0.009 1 904 3195 104 THR HB H 4.366 0.009 1 905 3195 104 THR HG2 H 1.192 0.011 1 906 3195 104 THR CA C 55.91 0.04 1 907 3195 104 THR CB C 69.362 0.006 1 908 3195 104 THR CG2 C 18.99 0.022 1 909 3195 104 THR N N 112.591 0.065 1 910 3196 105 TYR H H 8.486 0.005 1 911 3196 105 TYR HA H 2.991 0.01 1 912 3196 105 TYR HB2 H 2.681 0.01 1 913 3196 105 TYR HB3 H 2.962 0.009 1 914 3196 105 TYR HD1 H 6.929 0.009 3 915 3196 105 TYR HE1 H 6.673 0.007 3 916 3196 105 TYR CA C 59.137 0.023 1 917 3196 105 TYR CB C 35.255 0.046 1 918 3196 105 TYR CD1 C 130.507 0.005 3 919 3196 105 TYR CE1 C 115.345 0.086 3 920 3196 105 TYR N N 122.688 0.083 1 921 3197 106 GLU H H 8.718 0.002 1 922 3197 106 GLU HA H 3.694 0.008 1 923 3197 106 GLU HB2 H 1.892 0.003 1 924 3197 106 GLU HB3 H 2.042 0.006 1 925 3197 106 GLU HG2 H 2.304 0.009 1 926 3197 106 GLU HG3 H 2.36 0.007 1 927 3197 106 GLU CA C 57.108 0.046 1 928 3197 106 GLU CB C 26.432 0.023 1 929 3197 106 GLU CG C 33.892 0.066 1 930 3197 106 GLU N N 116.046 0.02 1 931 3198 107 THR H H 7.351 0.005 1 932 3198 107 THR HA H 3.825 0.008 1 933 3198 107 THR HB H 4.187 0.005 1 934 3198 107 THR HG2 H 1.254 0.006 1 935 3198 107 THR CA C 62.736 0.022 1 936 3198 107 THR CB C 65.809 0.028 1 937 3198 107 THR CG2 C 19.768 0.063 1 938 3198 107 THR N N 113 0.048 1 939 3199 108 ILE H H 7.722 0.005 1 940 3199 108 ILE HA H 3.524 0.01 1 941 3199 108 ILE HB H 1.489 0.007 1 942 3199 108 ILE HD1 H 0.601 0.011 1 943 3199 108 ILE HG12 H 1.189 0.011 1 944 3199 108 ILE HG13 H 1.51 0.011 1 945 3199 108 ILE HG2 H 0.693 0.011 1 946 3199 108 ILE CA C 62.049 0.009 1 947 3199 108 ILE CB C 34.774 0.025 1 948 3199 108 ILE CD1 C 11.326 0.015 1 949 3199 108 ILE CG1 C 26.66 0.074 1 950 3199 108 ILE CG2 C 16.266 0.039 1 951 3199 108 ILE N N 123.051 0.05 1 952 3200 109 ASN H H 8.52 0.004 1 953 3200 109 ASN HA H 4.203 0.004 1 954 3200 109 ASN HB2 H 1.641 0.008 1 955 3200 109 ASN HB3 H 2.122 0.009 1 956 3200 109 ASN CA C 52.55 0.042 1 957 3200 109 ASN CB C 36.239 0.009 1 958 3200 109 ASN N N 117.523 0.041 1 959 3201 110 ARG H H 7.146 0.004 1 960 3201 110 ARG HA H 3.938 0.01 1 961 3201 110 ARG HB2 H 1.82 0.011 1 962 3201 110 ARG HB3 H 1.849 0.009 1 963 3201 110 ARG HD2 H 3.192 0.006 2 964 3201 110 ARG HG2 H 1.607 0.005 1 965 3201 110 ARG HG3 H 1.739 0.001 1 966 3201 110 ARG CA C 55.222 0.06 1 967 3201 110 ARG CB C 27.505 0.019 1 968 3201 110 ARG CD C 40.734 0.005 1 969 3201 110 ARG CG C 24.913 0.068 1 970 3201 110 ARG N N 114.654 0.02 1 971 3202 111 ALA H H 7.213 0.004 1 972 3202 111 ALA HA H 4.164 0.008 1 973 3202 111 ALA HB H 1.468 0.009 1 974 3202 111 ALA CA C 51.215 0.06 1 975 3202 111 ALA CB C 16.387 0.032 1 976 3202 111 ALA N N 121.22 0.039 1 977 3203 112 SER H H 7.758 0.004 1 978 3203 112 SER HA H 4.486 0.008 1 979 3203 112 SER HB2 H 3.454 0.006 1 980 3203 112 SER HB3 H 3.989 0.012 1 981 3203 112 SER CA C 54.992 0.068 1 982 3203 112 SER CB C 61.424 0.065 1 983 3203 112 SER N N 110.514 0.041 1 984 3204 113 LYS H H 9.044 0.001 1 985 3204 113 LYS HA H 4.418 0.01 1 986 3204 113 LYS HB2 H 1.849 0.011 1 987 3204 113 LYS HB3 H 1.905 0.005 1 988 3204 113 LYS HG2 H 1.559 0.005 1 989 3204 113 LYS HG3 H 1.666 0.003 1 990 3204 113 LYS CA C 55.532 0.036 1 991 3204 113 LYS CB C 29.589 0.005 1 992 3204 113 LYS CG C 22.645 0.056 1 993 3204 113 LYS N N 129.473 0.029 1 994 3205 114 ALA H H 8.204 0.001 1 995 3205 114 ALA HA H 4.258 0.005 1 996 3205 114 ALA HB H 1.373 0.007 1 997 3205 114 ALA CA C 51.063 0.034 1 998 3205 114 ALA CB C 16.581 0.024 1 999 3205 114 ALA N N 119.432 0.077 1 1000 3206 115 CYS H H 7.555 0.004 1 1001 3206 115 CYS HA H 4.298 0.01 1 1002 3206 115 CYS HB2 H 2.855 0.011 1 1003 3206 115 CYS HB3 H 3.077 0.005 1 1004 3206 115 CYS CA C 59.592 0.062 1 1005 3206 115 CYS CB C 25.81 0.032 1 1006 3206 115 CYS N N 109.721 0.027 1 1007 3207 116 GLY H H 8.033 0.005 1 1008 3207 116 GLY HA2 H 3.643 0.012 1 1009 3207 116 GLY HA3 H 4.523 0.007 1 1010 3207 116 GLY CA C 46.528 0.025 1 1011 3207 116 GLY N N 109.963 0.031 1 1012 3208 117 PRO HA H 4.596 0.008 1 1013 3208 117 PRO HB2 H 1.62 0.011 1 1014 3208 117 PRO HB3 H 2.312 0.009 1 1015 3208 117 PRO HD2 H 3.835 0.023 2 1016 3208 117 PRO HG2 H 2.103 0.005 2 1017 3208 117 PRO CA C 62.059 0.017 1 1018 3208 117 PRO CB C 29.748 0.023 1 1019 3208 117 PRO CD C 48.67 0.02 1 1020 3208 117 PRO CG C 25.405 0.049 1 1021 3209 118 LEU H H 6.985 0.008 1 1022 3209 118 LEU HA H 4.26 0.01 1 1023 3209 118 LEU HB2 H 1.416 0.017 1 1024 3209 118 LEU HB3 H 2.161 0.007 1 1025 3209 118 LEU HD1 H 1.973 0.007 1 1026 3209 118 LEU HD2 H 0.671 0.015 1 1027 3209 118 LEU HG H 1.02 0.009 1 1028 3209 118 LEU CA C 55.087 0.035 1 1029 3209 118 LEU CB C 38.273 0.014 1 1030 3209 118 LEU CD1 C 23.914 0.094 1 1031 3209 118 LEU CD2 C 19.946 0.063 1 1032 3209 118 LEU CG C 23.434 0.043 1 1033 3209 118 LEU N N 116.427 0.025 1 1034 3210 119 TYR H H 8.535 0.003 1 1035 3210 119 TYR HA H 3.907 0.008 1 1036 3210 119 TYR HB2 H 2.941 0.011 1 1037 3210 119 TYR HB3 H 3.626 0.01 1 1038 3210 119 TYR HD1 H 6.638 0.008 3 1039 3210 119 TYR HE1 H 6.315 0.007 3 1040 3210 119 TYR CA C 59.699 0.025 1 1041 3210 119 TYR CB C 35.153 0.03 1 1042 3210 119 TYR CD1 C 130.822 0.061 3 1043 3210 119 TYR CE1 C 115.965 0.09 3 1044 3210 119 TYR N N 121.814 0.032 1 1045 3211 120 GLN H H 8.397 0.001 1 1046 3211 120 GLN HG2 H 2.543 0.009 1 1047 3211 120 GLN HG3 H 2.698 0.002 1 1048 3211 120 GLN CG C 31.196 0.036 1 1049 3211 120 GLN N N 117.711 0.021 1 1050 3212 121 TRP H H 8.26 0.006 1 1051 3212 121 TRP HA H 4.025 0.01 1 1052 3212 121 TRP HB2 H 3.066 0.011 1 1053 3212 121 TRP HB3 H 3.655 0.006 1 1054 3212 121 TRP HD1 H 6.762 0.008 1 1055 3212 121 TRP HE1 H 10.739 0.003 1 1056 3212 121 TRP HE3 H 7.411 0.009 1 1057 3212 121 TRP HH2 H 6.378 0.008 1 1058 3212 121 TRP HZ2 H 6.828 0.052 1 1059 3212 121 TRP HZ3 H 7.225 0.003 1 1060 3212 121 TRP CA C 60.457 0.044 1 1061 3212 121 TRP CB C 25.945 0.048 1 1062 3212 121 TRP CD1 C 122.68 0.076 1 1063 3212 121 TRP CE3 C 117.152 0.081 1 1064 3212 121 TRP CH2 C 121.708 0.063 1 1065 3212 121 TRP CZ2 C 119.19 0.072 1 1066 3212 121 TRP CZ3 C 113.529 0.065 1 1067 3212 121 TRP N N 121.643 0.012 1 1068 3212 121 TRP NE1 N 130.57 0.033 1 1069 3213 122 VAL H H 8.486 0.004 1 1070 3213 122 VAL HA H 3.037 0.009 1 1071 3213 122 VAL HB H 2.22 0.007 1 1072 3213 122 VAL HG1 H 0.814 0.004 1 1073 3213 122 VAL HG2 H 1.308 0.006 1 1074 3213 122 VAL CA C 64.421 0.019 1 1075 3213 122 VAL CB C 29.21 0.052 1 1076 3213 122 VAL CG1 C 18.641 0.043 1 1077 3213 122 VAL CG2 C 21.128 0.073 1 1078 3213 122 VAL N N 119.912 0.048 1 1079 3214 123 ASN H H 7.67 0.003 1 1080 3214 123 ASN HA H 4.138 0.004 1 1081 3214 123 ASN HB2 H 2.294 0.006 1 1082 3214 123 ASN HB3 H 2.479 0.01 1 1083 3214 123 ASN CA C 54.122 0.012 1 1084 3214 123 ASN CB C 36.241 0.036 1 1085 3214 123 ASN N N 115.038 0.022 1 1086 3215 124 ALA H H 8.233 0.003 1 1087 3215 124 ALA HA H 4.099 0.009 1 1088 3215 124 ALA HB H 1.389 0.01 1 1089 3215 124 ALA CA C 52.23 0.015 1 1090 3215 124 ALA CB C 16.179 0.007 1 1091 3215 124 ALA N N 121.299 0.023 1 1092 3216 125 GLN H H 7.891 0.007 1 1093 3216 125 GLN HA H 3.845 0.01 1 1094 3216 125 GLN HB2 H 1.539 0.008 1 1095 3216 125 GLN HB3 H 1.909 0.009 1 1096 3216 125 GLN HG2 H 0.658 0.006 1 1097 3216 125 GLN HG3 H 1.333 0.009 1 1098 3216 125 GLN CA C 55.48 0.03 1 1099 3216 125 GLN CB C 24.1 0.034 1 1100 3216 125 GLN CG C 28.37 0.054 1 1101 3216 125 GLN N N 116.741 0.038 1 1102 3217 126 ILE H H 7.5 0.002 1 1103 3217 126 ILE HA H 3.566 0.01 1 1104 3217 126 ILE HB H 2.046 0.009 1 1105 3217 126 ILE HD1 H 0.831 0.008 1 1106 3217 126 ILE HG12 H 1.146 0.007 1 1107 3217 126 ILE HG13 H 1.698 0.012 1 1108 3217 126 ILE HG2 H 0.871 0.01 1 1109 3217 126 ILE CA C 62.133 0.022 1 1110 3217 126 ILE CB C 34.797 0.044 1 1111 3217 126 ILE CD1 C 11.035 0.044 1 1112 3217 126 ILE CG1 C 26.196 0.028 1 1113 3217 126 ILE CG2 C 14.74 0.023 1 1114 3217 126 ILE N N 119.628 0.039 1 1115 3218 127 ASN H H 8.326 0.006 1 1116 3218 127 ASN HA H 4.437 0.008 1 1117 3218 127 ASN HB2 H 2.795 0.016 1 1118 3218 127 ASN HB3 H 2.879 0.004 1 1119 3218 127 ASN CA C 53.345 0.042 1 1120 3218 127 ASN CB C 35.02 0.013 1 1121 3218 127 ASN N N 118.734 0.035 1 1122 3219 128 PHE H H 9.101 0.008 1 1123 3219 128 PHE HA H 4.463 0.003 1 1124 3219 128 PHE HB2 H 3.11 0.005 1 1125 3219 128 PHE HB3 H 3.245 0.009 1 1126 3219 128 PHE HD1 H 7.219 0.013 3 1127 3219 128 PHE CA C 58.168 0.005 1 1128 3219 128 PHE CB C 37 0.048 1 1129 3219 128 PHE N N 124.712 0.059 1 1130 3220 129 SER H H 7.822 0.007 1 1131 3220 129 SER N N 112.778 0.065 1 1132 3221 130 LYS H H 7.862 0.007 1 1133 3221 130 LYS HA H 3.935 0.011 1 1134 3221 130 LYS HB2 H 1.841 0.009 2 1135 3221 130 LYS HD2 H 1.676 0.01 2 1136 3221 130 LYS HE2 H 2.896 0.008 2 1137 3221 130 LYS HG2 H 1.347 0.009 1 1138 3221 130 LYS HG3 H 1.625 0.002 1 1139 3221 130 LYS CA C 56.97 0.017 1 1140 3221 130 LYS CB C 29.551 0.002 1 1141 3221 130 LYS CD C 26.645 0.051 1 1142 3221 130 LYS CE C 39.078 0.005 1 1143 3221 130 LYS CG C 22.987 0.038 1 1144 3221 130 LYS N N 119.322 0.005 1 1145 3222 131 CYS H H 8.042 0.006 1 1146 3222 131 CYS HA H 4.203 0.002 1 1147 3222 131 CYS HB2 H 3.239 0.019 1 1148 3222 131 CYS HB3 H 3.41 0.008 1 1149 3222 131 CYS CA C 57.114 0.032 1 1150 3222 131 CYS CB C 36.654 0.024 1 1151 3222 131 CYS N N 120.564 0.114 1 1152 3223 132 LEU H H 7.926 0.008 1 1153 3223 132 LEU HA H 3.873 0.007 1 1154 3223 132 LEU HB2 H 1.308 0.005 1 1155 3223 132 LEU HB3 H 1.555 0.005 1 1156 3223 132 LEU HD1 H 0.414 0.005 1 1157 3223 132 LEU HD2 H 0.615 0.006 1 1158 3223 132 LEU HG H 1.278 0.012 1 1159 3223 132 LEU CA C 53.994 0.07 1 1160 3223 132 LEU CB C 39.315 0.045 1 1161 3223 132 LEU CD1 C 22.509 0.02 1 1162 3223 132 LEU CD2 C 20.234 0.024 1 1163 3223 132 LEU CG C 23.414 0.039 1 1164 3223 132 LEU N N 119.17 0.035 1 1165 3224 133 GLU H H 7.497 0.003 1 1166 3224 133 GLU HA H 4.149 0.01 1 1167 3224 133 GLU HB2 H 2.08 0.005 2 1168 3224 133 GLU HG2 H 2.445 0.008 2 1169 3224 133 GLU CA C 54.666 0.005 1 1170 3224 133 GLU CB C 27.15 0.005 1 1171 3224 133 GLU CG C 33.828 0.005 1 1172 3224 133 GLU N N 117.286 0.028 1 1173 3225 134 ASN H H 7.708 0.003 1 1174 3225 134 ASN HA H 4.709 0.008 1 1175 3225 134 ASN HB2 H 2.763 0.015 1 1176 3225 134 ASN HB3 H 2.943 0.009 1 1177 3225 134 ASN CA C 50.839 0.026 1 1178 3225 134 ASN CB C 36.263 0.029 1 1179 3225 134 ASN N N 116.473 0.026 1 1180 3226 135 VAL H H 7.658 0.002 1 1181 3226 135 VAL HA H 4.103 0.007 1 1182 3226 135 VAL HB H 2.116 0.003 1 1183 3226 135 VAL HG1 H 0.933 0.012 1 1184 3226 135 VAL HG2 H 0.962 0.004 1 1185 3226 135 VAL CA C 59.614 0.007 1 1186 3226 135 VAL CB C 29.936 0.004 1 1187 3226 135 VAL CG1 C 18.554 0.034 1 1188 3226 135 VAL CG2 C 18.108 0.012 1 1189 3226 135 VAL N N 118.526 0.047 1 1190 3227 136 ASP H H 8.251 0.002 1 1191 3227 136 ASP HA H 4.895 0.003 1 1192 3227 136 ASP HB2 H 2.575 0.003 1 1193 3227 136 ASP HB3 H 2.803 0.006 1 1194 3227 136 ASP CA C 49.327 0.046 1 1195 3227 136 ASP CB C 38.746 0.066 1 1196 3227 136 ASP N N 124.751 0.021 1 1197 3228 137 PRO HA H 4.431 0.004 1 1198 3228 137 PRO HB2 H 1.965 0.005 1 1199 3228 137 PRO HB3 H 2.334 0.005 1 1200 3228 137 PRO HD2 H 3.873 0.01 2 1201 3228 137 PRO HG2 H 2.007 0.012 1 1202 3228 137 PRO HG3 H 2.054 0.005 1 1203 3228 137 PRO CA C 60.925 0.061 1 1204 3228 137 PRO CB C 29.576 0.042 1 1205 3228 137 PRO CD C 48.124 0.056 1 1206 3228 137 PRO CG C 24.43 0.035 1 1207 3229 138 LEU H H 8.292 0.005 1 1208 3229 138 LEU HA H 4.322 0.014 1 1209 3229 138 LEU HB2 H 1.596 0.006 1 1210 3229 138 LEU HB3 H 1.741 0.016 1 1211 3229 138 LEU HD1 H 0.951 0.002 1 1212 3229 138 LEU HD2 H 0.885 0.009 1 1213 3229 138 LEU HG H 1.656 0.007 1 1214 3229 138 LEU CA C 52.389 0.026 1 1215 3229 138 LEU CB C 38.912 0.037 1 1216 3229 138 LEU CD1 C 22.254 0.007 1 1217 3229 138 LEU CD2 C 20.364 0.025 1 1218 3229 138 LEU CG C 24.193 0.048 1 1219 3229 138 LEU N N 120.07 0.048 1 1220 3230 139 ARG H H 7.896 0.009 1 1221 3230 139 ARG HA H 4.326 0.003 1 1222 3230 139 ARG HB2 H 1.799 0.009 1 1223 3230 139 ARG HB3 H 1.895 0.005 1 1224 3230 139 ARG HD2 H 3.211 0.005 2 1225 3230 139 ARG HG2 H 1.592 0.001 2 1226 3230 139 ARG CA C 53.228 0.015 1 1227 3230 139 ARG CB C 27.987 0.029 1 1228 3230 139 ARG CD C 40.632 0.005 1 1229 3230 139 ARG CG C 24.452 0.005 1 1230 3230 139 ARG N N 121.467 0.063 1 1231 3231 140 GLN H H 8.353 0.01 1 1232 3231 140 GLN HA H 4.386 0.007 1 1233 3231 140 GLN HB2 H 1.982 0.001 1 1234 3231 140 GLN HB3 H 2.14 0.009 1 1235 3231 140 GLN HG2 H 2.368 0.004 2 1236 3231 140 GLN CA C 52.864 0.022 1 1237 3231 140 GLN CB C 27.01 0.058 1 1238 3231 140 GLN CG C 31.093 0.013 1 1239 3231 140 GLN N N 122.88 0.106 1 1240 3232 141 GLU H H 8.059 0.003 1 1241 3232 141 GLU HA H 4.132 0.012 1 1242 3232 141 GLU HB2 H 1.894 0.007 1 1243 3232 141 GLU HB3 H 2.064 0.001 1 1244 3232 141 GLU HG2 H 2.204 0.005 2 1245 3232 141 GLU CA C 55.23 0.021 1 1246 3232 141 GLU CB C 28.432 0.035 1 1247 3232 141 GLU CG C 33.955 0.011 1 1248 3232 141 GLU N N 127.724 0.07 1 stop_ save_