data_11495 ####################### # 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 low affinity state ; _BMRB_accession_number 11495 _BMRB_flat_file_name bmr11495.str _Entry_type original _Submission_date 2012-04-14 _Accession_date 2012-04-17 _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" 676 "13C chemical shifts" 419 "15N chemical shifts" 127 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 . _Mol_thiol_state 'free and disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 141 _Mol_residue_sequence ; GSHMKCIQDIEPTILEAQRG 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 CYS 7 3098 ILE 8 3099 GLN 9 3100 ASP 10 3101 ILE 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 11490 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 4.06e-87 EMBL CAA79923 "heavy chain of cytoplasmic dynein [Saccharomyces cerevisiae]" 97.87 4092 98.55 98.55 3.48e-87 EMBL CAA82132 "DYN1 [Saccharomyces cerevisiae]" 97.87 4092 98.55 98.55 3.48e-87 EMBL CAY81134 "Dyn1p [Saccharomyces cerevisiae EC1118]" 97.87 4092 98.55 98.55 3.55e-87 GB AAA16055 "dynein [Saccharomyces cerevisiae]" 97.87 3457 98.55 98.55 2.45e-87 GB AHY76290 "Dyn1p [Saccharomyces cerevisiae YJM993]" 97.87 4092 98.55 98.55 3.65e-87 GB AJP40084 "Dyn1p [Saccharomyces cerevisiae YJM1078]" 97.87 4092 98.55 98.55 3.69e-87 GB AJS30282 "Dyn1p [Saccharomyces cerevisiae YJM189]" 97.87 4092 98.55 98.55 3.83e-87 GB AJS30583 "Dyn1p [Saccharomyces cerevisiae YJM193]" 97.87 4092 98.55 98.55 3.45e-87 REF NP_012980 "dynein heavy chain [Saccharomyces cerevisiae S288c]" 97.87 4092 98.55 98.55 3.48e-87 SP P36022 "RecName: Full=Dynein heavy chain, cytoplasmic; AltName: Full=Dynein heavy chain, cytosolic; Short=DYHC" 97.87 4092 98.55 98.55 3.48e-87 TPG DAA09205 "TPA: dynein heavy chain [Saccharomyces cerevisiae S288c]" 97.87 4092 98.55 98.55 3.48e-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 1.0 mM '[U-100% 13C; U-100% 15N]' NaCl 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 1.0 mM '[U-100% 13C; U-100% 15N]' NaCl 200 mM 'natural abundance' D2O 100 % . stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . 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 _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 _Indirect_shift_ratio_citation_label _Reference_correction_type _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.00 na indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.251449530 $entry_citation 0.01538 $entry_citation DSS H 1 'methyl protons' ppm 0.00 internal direct . 'separate tube (no insert) similar to the experimental sample tube' . 1.000000000 $entry_citation 0.06116 $entry_citation DSS N 15 'methyl protons' ppm 0.00 na indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.101329118 $entry_citation 0.00620 $entry_citation 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 3.81 0.001 2 2 3092 1 GLY CA C 41.728 0.006 1 3 3095 4 MET HA H 4.163 0.006 1 4 3095 4 MET HB2 H 1.987 0.003 2 5 3095 4 MET HE H 2.025 0.001 1 6 3095 4 MET HG2 H 2.428 0.001 1 7 3095 4 MET HG3 H 2.529 0.001 1 8 3095 4 MET CA C 55.778 0.019 1 9 3095 4 MET CB C 30.123 0.005 1 10 3095 4 MET CE C 15.136 0.001 1 11 3095 4 MET CG C 30.263 0.023 1 12 3096 5 LYS H H 7.975 0.013 1 13 3096 5 LYS HA H 4.025 0.006 1 14 3096 5 LYS HB2 H 1.809 0.006 2 15 3096 5 LYS HG2 H 1.386 0.004 2 16 3096 5 LYS CA C 57.124 0.069 1 17 3096 5 LYS CB C 30.134 0.005 1 18 3096 5 LYS CG C 23.126 0.005 1 19 3096 5 LYS N N 121.514 0.020 1 20 3097 6 CYS H H 7.908 0.002 1 21 3097 6 CYS HA H 4.404 0.009 1 22 3097 6 CYS HB2 H 2.864 0.007 2 23 3097 6 CYS CA C 56.043 0.002 1 24 3097 6 CYS CB C 35.642 0.005 1 25 3097 6 CYS N N 115.892 0.016 1 26 3098 7 ILE H H 7.95 0.007 1 27 3098 7 ILE HA H 3.709 0.007 1 28 3098 7 ILE HB H 1.996 0.007 1 29 3098 7 ILE HD1 H 0.756 0.003 1 30 3098 7 ILE HG12 H 1.124 0.007 1 31 3098 7 ILE HG13 H 1.606 0.004 1 32 3098 7 ILE HG2 H 0.866 0.008 1 33 3098 7 ILE CA C 62.89 0.035 1 34 3098 7 ILE CB C 35.682 0.005 1 35 3098 7 ILE CD1 C 10.997 0.008 1 36 3098 7 ILE CG1 C 27.086 0.003 1 37 3098 7 ILE CG2 C 15.569 0.031 1 38 3098 7 ILE N N 120.542 0.036 1 39 3099 8 GLN H H 8.024 0.002 1 40 3099 8 GLN HA H 3.973 0.005 1 41 3099 8 GLN HB2 H 2.045 0.008 2 42 3099 8 GLN HB3 H 2.148 0.005 1 43 3099 8 GLN HG2 H 2.428 0.005 2 44 3099 8 GLN HG3 H 2.638 0.001 1 45 3099 8 GLN CA C 57.015 0.005 1 46 3099 8 GLN CB C 26.878 0.005 1 47 3099 8 GLN CG C 32.281 0.012 1 48 3099 8 GLN N N 118.484 0.023 1 49 3100 9 ASP H H 8.229 0.003 1 50 3100 9 ASP HA H 4.491 0.003 1 51 3100 9 ASP HB2 H 2.602 0.010 1 52 3100 9 ASP HB3 H 2.75 0.002 1 53 3100 9 ASP CA C 54.718 0.002 1 54 3100 9 ASP CB C 39.181 0.005 1 55 3100 9 ASP N N 115.444 0.040 1 56 3101 10 ILE H H 8.057 0.007 1 57 3101 10 ILE HA H 4.3 0.004 1 58 3101 10 ILE HB H 2.067 0.009 1 59 3101 10 ILE HD1 H 0.829 0.007 1 60 3101 10 ILE HG12 H 1.333 0.008 1 61 3101 10 ILE HG13 H 1.566 0.010 1 62 3101 10 ILE HG2 H 0.906 0.011 1 63 3101 10 ILE CA C 59.399 0.053 1 64 3101 10 ILE CB C 37.286 0.051 1 65 3101 10 ILE CD1 C 11.628 0.030 1 66 3101 10 ILE CG1 C 27.279 0.045 1 67 3101 10 ILE CG2 C 16.835 0.026 1 68 3101 10 ILE N N 117.24 0.023 1 69 3102 11 GLU H H 8.582 0.005 1 70 3102 11 GLU N N 125.019 0.017 1 71 3103 12 PRO HA H 4.239 0.007 1 72 3103 12 PRO HB2 H 1.801 0.006 1 73 3103 12 PRO HB3 H 2.354 0.004 1 74 3103 12 PRO HD2 H 3.311 0.009 1 75 3103 12 PRO HD3 H 3.823 0.007 1 76 3103 12 PRO HG2 H 1.999 0.008 1 77 3103 12 PRO HG3 H 2.117 0.015 1 78 3103 12 PRO CA C 64.988 0.012 1 79 3103 12 PRO CB C 29.366 0.025 1 80 3103 12 PRO CD C 49.049 0.006 1 81 3103 12 PRO CG C 26.947 0.011 1 82 3104 13 THR H H 7.472 0.004 1 83 3104 13 THR HA H 4.141 0.004 1 84 3104 13 THR HB H 4.264 0.005 1 85 3104 13 THR HG2 H 1.27 0.002 1 86 3104 13 THR CA C 63.239 0.032 1 87 3104 13 THR CB C 66.961 0.026 1 88 3104 13 THR CG2 C 20.363 0.018 1 89 3104 13 THR N N 111.041 0.039 1 90 3105 14 ILE H H 7.72 0.003 1 91 3105 14 ILE HA H 3.503 0.009 1 92 3105 14 ILE HB H 1.99 0.009 1 93 3105 14 ILE HD1 H 0.412 0.006 1 94 3105 14 ILE HG12 H 0.699 0.002 1 95 3105 14 ILE HG13 H 1.368 0.001 1 96 3105 14 ILE HG2 H 0.798 0.009 1 97 3105 14 ILE CA C 63.191 0.046 1 98 3105 14 ILE CB C 35.772 0.051 1 99 3105 14 ILE CD1 C 10.744 0.010 1 100 3105 14 ILE CG1 C 27.234 0.018 1 101 3105 14 ILE CG2 C 15.599 0.028 1 102 3105 14 ILE N N 125.446 0.028 1 103 3106 15 LEU H H 8.165 0.006 1 104 3106 15 LEU HA H 4.087 0.007 1 105 3106 15 LEU HB2 H 1.506 0.010 1 106 3106 15 LEU HB3 H 1.758 0.006 1 107 3106 15 LEU HD1 H 0.837 0.003 1 108 3106 15 LEU HD2 H 0.818 0.004 1 109 3106 15 LEU HG H 1.663 0.005 1 110 3106 15 LEU CA C 56.323 0.122 1 111 3106 15 LEU CB C 39.443 0.007 1 112 3106 15 LEU CD1 C 23.247 0.005 1 113 3106 15 LEU CD2 C 21.153 0.005 1 114 3106 15 LEU CG C 25.304 0.005 1 115 3106 15 LEU N N 120.096 0.052 1 116 3107 16 GLU H H 7.873 0.007 1 117 3107 16 GLU HA H 4.038 0.020 1 118 3107 16 GLU HB2 H 1.955 0.006 1 119 3107 16 GLU HB3 H 2.035 0.005 1 120 3107 16 GLU CA C 57.338 0.005 1 121 3107 16 GLU CB C 27.496 0.011 1 122 3107 16 GLU N N 118.967 0.037 1 123 3108 17 ALA H H 7.854 0.003 1 124 3108 17 ALA HA H 4.324 0.007 1 125 3108 17 ALA HB H 1.569 0.005 1 126 3108 17 ALA CA C 52.95 0.009 1 127 3108 17 ALA CB C 15.958 0.010 1 128 3108 17 ALA N N 122.265 0.027 1 129 3109 18 GLN H H 8.922 0.003 1 130 3109 18 GLN HA H 3.645 0.005 1 131 3109 18 GLN HB2 H 2.006 0.010 1 132 3109 18 GLN HB3 H 2.458 0.003 1 133 3109 18 GLN HG2 H 2.153 0.009 1 134 3109 18 GLN HG3 H 2.688 0.007 1 135 3109 18 GLN CA C 58.32 0.064 1 136 3109 18 GLN CB C 27.196 0.026 1 137 3109 18 GLN CG C 33.307 0.021 1 138 3109 18 GLN N N 118.038 0.024 1 139 3110 19 ARG H H 7.961 0.004 1 140 3110 19 ARG HA H 3.826 0.007 1 141 3110 19 ARG HB2 H 1.901 0.004 2 142 3110 19 ARG HD2 H 3.154 0.003 2 143 3110 19 ARG HG2 H 1.752 0.005 2 144 3110 19 ARG CA C 57.987 0.028 1 145 3110 19 ARG CB C 28.17 0.005 1 146 3110 19 ARG CD C 41.757 0.005 1 147 3110 19 ARG CG C 26.164 0.045 1 148 3110 19 ARG N N 118.982 0.030 1 149 3111 20 GLY H H 7.876 0.004 1 150 3111 20 GLY HA2 H 3.852 0.017 1 151 3111 20 GLY HA3 H 3.942 0.003 1 152 3111 20 GLY CA C 45.447 0.026 1 153 3111 20 GLY N N 105.601 0.029 1 154 3112 21 VAL H H 8.135 0.004 1 155 3112 21 VAL HA H 3.526 0.010 1 156 3112 21 VAL HB H 1.894 0.009 1 157 3112 21 VAL HG1 H 0.573 0.004 1 158 3112 21 VAL HG2 H 0.707 0.013 1 159 3112 21 VAL CA C 63.956 0.043 1 160 3112 21 VAL CB C 29.37 0.005 1 161 3112 21 VAL CG1 C 20.175 0.010 1 162 3112 21 VAL CG2 C 20.995 0.039 1 163 3112 21 VAL N N 122.274 0.031 1 164 3113 22 LYS H H 7.979 0.007 1 165 3113 22 LYS HA H 3.693 0.006 1 166 3113 22 LYS HB2 H 1.773 0.005 1 167 3113 22 LYS HB3 H 1.866 0.009 1 168 3113 22 LYS HD2 H 1.561 0.008 2 169 3113 22 LYS HE2 H 2.812 0.006 2 170 3113 22 LYS HG2 H 1.362 0.002 1 171 3113 22 LYS HG3 H 1.47 0.002 1 172 3113 22 LYS CA C 57.072 0.028 1 173 3113 22 LYS CB C 30.499 0.020 1 174 3113 22 LYS CD C 27.549 0.005 1 175 3113 22 LYS CE C 39.913 0.020 1 176 3113 22 LYS CG C 24.031 0.056 1 177 3113 22 LYS N N 118.339 0.032 1 178 3114 23 ASN H H 7.183 0.004 1 179 3114 23 ASN HA H 4.68 0.005 1 180 3114 23 ASN HB2 H 2.693 0.006 1 181 3114 23 ASN HB3 H 2.964 0.006 1 182 3114 23 ASN CA C 51.042 0.018 1 183 3114 23 ASN CB C 37.717 0.024 1 184 3114 23 ASN N N 113.779 0.033 1 185 3115 24 ILE H H 7.463 0.007 1 186 3115 24 ILE HA H 3.806 0.009 1 187 3115 24 ILE HB H 1.867 0.008 1 188 3115 24 ILE HD1 H 0.959 0.009 1 189 3115 24 ILE HG12 H 1.028 0.036 2 190 3115 24 ILE HG2 H 0.911 0.007 1 191 3115 24 ILE CA C 62.083 0.014 1 192 3115 24 ILE CB C 36.293 0.056 1 193 3115 24 ILE CD1 C 13.181 0.032 1 194 3115 24 ILE CG1 C 26.687 0.006 1 195 3115 24 ILE CG2 C 15.933 0.022 1 196 3115 24 ILE N N 122.862 0.017 1 197 3116 25 LYS H H 8.282 0.003 1 198 3116 25 LYS N N 127.869 0.027 1 199 3118 27 GLN HA H 4.043 0.005 1 200 3118 27 GLN HB2 H 1.949 0.005 1 201 3118 27 GLN HB3 H 2.104 0.005 1 202 3118 27 GLN CA C 57.383 0.005 1 203 3118 27 GLN CB C 26.098 0.005 1 204 3119 28 GLN H H 7.254 0.004 1 205 3119 28 GLN HA H 4.177 0.002 1 206 3119 28 GLN HB2 H 1.9 0.010 1 207 3119 28 GLN HB3 H 2.493 0.012 1 208 3119 28 GLN HG2 H 2.398 0.007 1 209 3119 28 GLN HG3 H 2.522 0.001 1 210 3119 28 GLN CA C 56.312 0.030 1 211 3119 28 GLN CB C 26.884 0.028 1 212 3119 28 GLN CG C 33.221 0.039 1 213 3119 28 GLN N N 116.37 0.034 1 214 3120 29 LEU H H 7.599 0.008 1 215 3120 29 LEU HA H 4.081 0.015 1 216 3120 29 LEU HB2 H 1.492 0.019 1 217 3120 29 LEU HB3 H 1.827 0.017 1 218 3120 29 LEU HD1 H 0.907 0.007 1 219 3120 29 LEU HD2 H 0.814 0.001 1 220 3120 29 LEU HG H 1.572 0.005 1 221 3120 29 LEU CA C 55.573 0.026 1 222 3120 29 LEU CB C 39.534 0.004 1 223 3120 29 LEU CD1 C 22.943 0.011 1 224 3120 29 LEU CD2 C 21.614 0.030 1 225 3120 29 LEU CG C 25.275 0.005 1 226 3120 29 LEU N N 120.402 0.029 1 227 3121 30 THR H H 8.65 0.001 1 228 3121 30 THR HA H 3.684 0.007 1 229 3121 30 THR HB H 4.179 0.007 1 230 3121 30 THR HG2 H 1.135 0.006 1 231 3121 30 THR CA C 64.858 0.059 1 232 3121 30 THR CB C 66.422 0.047 1 233 3121 30 THR CG2 C 20.287 0.013 1 234 3121 30 THR N N 117.878 0.012 1 235 3122 31 GLU H H 7.699 0.003 1 236 3122 31 GLU HA H 3.968 0.008 1 237 3122 31 GLU HB2 H 2.086 0.005 1 238 3122 31 GLU HB3 H 2.181 0.004 1 239 3122 31 GLU HG2 H 2.421 0.005 2 240 3122 31 GLU CA C 57.93 0.005 1 241 3122 31 GLU CB C 27.887 0.051 1 242 3122 31 GLU CG C 34.61 0.005 1 243 3122 31 GLU N N 121.058 0.051 1 244 3123 32 ILE H H 7.248 0.004 1 245 3123 32 ILE HA H 4.172 0.007 1 246 3123 32 ILE HB H 1.869 0.003 1 247 3123 32 ILE HD1 H 0.826 0.002 1 248 3123 32 ILE HG12 H 1.161 0.003 1 249 3123 32 ILE HG13 H 1.784 0.001 1 250 3123 32 ILE HG2 H 0.982 0.007 1 251 3123 32 ILE CA C 62.572 0.016 1 252 3123 32 ILE CB C 36.71 0.005 1 253 3123 32 ILE CD1 C 12.213 0.007 1 254 3123 32 ILE CG1 C 26.985 0.031 1 255 3123 32 ILE CG2 C 16.388 0.024 1 256 3123 32 ILE N N 117.298 0.027 1 257 3124 33 ARG H H 8.169 0.007 1 258 3124 33 ARG HA H 3.774 0.013 1 259 3124 33 ARG HB2 H 1.812 0.003 2 260 3124 33 ARG HD2 H 2.917 0.012 2 261 3124 33 ARG HG2 H 1.526 0.005 2 262 3124 33 ARG CA C 57.436 0.042 1 263 3124 33 ARG CB C 28.426 0.005 1 264 3124 33 ARG CD C 41.943 0.028 1 265 3124 33 ARG CG C 26.699 0.005 1 266 3124 33 ARG N N 117.296 0.077 1 267 3125 34 SER H H 7.585 0.005 1 268 3125 34 SER HA H 4.39 0.009 1 269 3125 34 SER HB2 H 3.89 0.006 2 270 3125 34 SER CA C 56.884 0.019 1 271 3125 34 SER CB C 62.245 0.059 1 272 3125 34 SER N N 111.351 0.019 1 273 3126 35 MET H H 7.507 0.003 1 274 3126 35 MET HA H 4.153 0.006 1 275 3126 35 MET HB2 H 1.677 0.011 1 276 3126 35 MET HB3 H 2.248 0.004 1 277 3126 35 MET HE H 2.04 0.007 1 278 3126 35 MET HG2 H 2.421 0.010 1 279 3126 35 MET HG3 H 3.11 0.008 1 280 3126 35 MET CA C 55.54 0.038 1 281 3126 35 MET CB C 31.482 0.011 1 282 3126 35 MET CE C 15.75 0.008 1 283 3126 35 MET CG C 30.847 0.046 1 284 3126 35 MET N N 122.392 0.027 1 285 3127 36 VAL H H 8.29 0.003 1 286 3127 36 VAL HA H 4.072 0.003 1 287 3127 36 VAL HB H 1.991 0.004 1 288 3127 36 VAL HG1 H 0.944 0.004 1 289 3127 36 VAL HG2 H 0.975 0.005 1 290 3127 36 VAL CA C 61.904 0.011 1 291 3127 36 VAL CB C 30.845 0.005 1 292 3127 36 VAL CG1 C 19.458 0.013 1 293 3127 36 VAL CG2 C 19.319 0.012 1 294 3127 36 VAL N N 123.455 0.029 1 295 3128 37 ASN H H 8.159 0.004 1 296 3128 37 ASN HA H 4.828 0.003 1 297 3128 37 ASN HB2 H 2.507 0.026 1 298 3128 37 ASN HB3 H 2.624 0.004 1 299 3128 37 ASN CA C 48.74 0.018 1 300 3128 37 ASN CB C 37.185 0.030 1 301 3128 37 ASN N N 117.255 0.085 1 302 3129 38 PRO HA H 4.447 0.007 1 303 3129 38 PRO HB2 H 1.259 0.011 1 304 3129 38 PRO HB3 H 1.178 0.002 1 305 3129 38 PRO HD2 H 3.018 0.003 1 306 3129 38 PRO HD3 H 2.151 0.002 1 307 3129 38 PRO HG2 H -0.209 0.009 1 308 3129 38 PRO HG3 H 0.907 0.009 1 309 3129 38 PRO CA C 59.168 0.022 1 310 3129 38 PRO CB C 28.978 0.035 1 311 3129 38 PRO CD C 48.057 0.016 1 312 3129 38 PRO CG C 23.773 0.042 1 313 3130 39 PRO HA H 4.422 0.001 1 314 3130 39 PRO HB2 H 1.753 0.003 1 315 3130 39 PRO HB3 H 2.423 0.004 1 316 3130 39 PRO HG2 H 1.87 0.002 1 317 3130 39 PRO HG3 H 2.093 0.004 1 318 3130 39 PRO CA C 60.378 0.007 1 319 3130 39 PRO CB C 30.648 0.021 1 320 3130 39 PRO CG C 26.068 0.006 1 321 3131 40 SER HA H 3.805 0.005 1 322 3131 40 SER CA C 60.638 0.012 1 323 3132 41 GLY H H 8.813 0.002 1 324 3132 41 GLY HA2 H 3.501 0.008 1 325 3132 41 GLY HA3 H 3.673 0.020 1 326 3132 41 GLY CA C 45.488 0.026 1 327 3132 41 GLY N N 106.172 0.022 1 328 3133 42 VAL H H 6.654 0.004 1 329 3133 42 VAL HA H 3.827 0.011 1 330 3133 42 VAL HB H 1.872 0.011 1 331 3133 42 VAL HG1 H 0.902 0.010 1 332 3133 42 VAL HG2 H 0.932 0.009 1 333 3133 42 VAL CA C 63.278 0.011 1 334 3133 42 VAL CB C 30.447 0.043 1 335 3133 42 VAL CG1 C 19.686 0.017 1 336 3133 42 VAL CG2 C 21.174 0.016 1 337 3133 42 VAL N N 117.476 0.021 1 338 3134 43 LYS H H 7.462 0.003 1 339 3134 43 LYS HA H 3.783 0.014 1 340 3134 43 LYS HB2 H 1.246 0.014 1 341 3134 43 LYS HB3 H 1.758 0.005 1 342 3134 43 LYS HD2 H 1.475 0.002 2 343 3134 43 LYS HE2 H 2.735 0.013 1 344 3134 43 LYS HE3 H 2.878 0.003 1 345 3134 43 LYS HG2 H 1.088 0.005 1 346 3134 43 LYS HG3 H 1.203 0.011 1 347 3134 43 LYS CA C 58.869 0.035 1 348 3134 43 LYS CB C 30.954 0.013 1 349 3134 43 LYS CD C 27.887 0.054 1 350 3134 43 LYS CE C 40.017 0.011 1 351 3134 43 LYS CG C 23.306 0.037 1 352 3134 43 LYS N N 118.43 0.020 1 353 3135 44 ILE H H 8.268 0.007 1 354 3135 44 ILE HA H 4.091 0.012 1 355 3135 44 ILE HB H 1.839 0.011 1 356 3135 44 ILE HD1 H 0.778 0.005 1 357 3135 44 ILE HG12 H 1.282 0.008 1 358 3135 44 ILE HG13 H 1.708 0.012 1 359 3135 44 ILE HG2 H 0.852 0.008 1 360 3135 44 ILE CA C 62.947 0.029 1 361 3135 44 ILE CB C 36.133 0.011 1 362 3135 44 ILE CD1 C 12.277 0.015 1 363 3135 44 ILE CG1 C 27.058 0.026 1 364 3135 44 ILE CG2 C 16.301 0.045 1 365 3135 44 ILE N N 115.312 0.033 1 366 3136 45 VAL H H 7.598 0.005 1 367 3136 45 VAL HA H 4.005 0.010 1 368 3136 45 VAL HB H 2.356 0.009 1 369 3136 45 VAL HG1 H 1.224 0.006 1 370 3136 45 VAL HG2 H 1.304 0.008 1 371 3136 45 VAL CA C 64.846 0.008 1 372 3136 45 VAL CB C 29.944 0.005 1 373 3136 45 VAL CG1 C 20.221 0.035 1 374 3136 45 VAL CG2 C 23.428 0.019 1 375 3136 45 VAL N N 119.394 0.037 1 376 3137 46 MET H H 8.112 0.004 1 377 3137 46 MET HA H 4.533 0.006 1 378 3137 46 MET HB2 H 1.967 0.012 1 379 3137 46 MET HB3 H 2.578 0.010 1 380 3137 46 MET HE H 1.907 0.009 1 381 3137 46 MET HG2 H 2.587 0.002 1 382 3137 46 MET HG3 H 3.161 0.007 1 383 3137 46 MET CA C 55.191 0.035 1 384 3137 46 MET CB C 29.322 0.050 1 385 3137 46 MET CE C 15.633 0.041 1 386 3137 46 MET CG C 31.445 0.029 1 387 3137 46 MET N N 117.175 0.041 1 388 3138 47 GLU H H 8.886 0.003 1 389 3138 47 GLU HA H 3.636 0.006 1 390 3138 47 GLU HB2 H 2.184 0.018 1 391 3138 47 GLU HB3 H 2.419 0.005 1 392 3138 47 GLU HG2 H 2.126 0.007 1 393 3138 47 GLU HG3 H 2.688 0.007 1 394 3138 47 GLU CA C 58.546 0.005 1 395 3138 47 GLU CB C 27.827 0.049 1 396 3138 47 GLU CG C 35.394 0.062 1 397 3138 47 GLU N N 121.077 0.018 1 398 3139 48 ALA H H 8.172 0.011 1 399 3139 48 ALA HA H 3.692 0.010 1 400 3139 48 ALA HB H 1.307 0.009 1 401 3139 48 ALA CA C 53.725 0.033 1 402 3139 48 ALA CB C 16.92 0.037 1 403 3139 48 ALA N N 121.765 0.046 1 404 3140 49 VAL H H 8.495 0.007 1 405 3140 49 VAL HA H 3.582 0.007 1 406 3140 49 VAL HB H 2.419 0.007 1 407 3140 49 VAL HG1 H 0.919 0.006 1 408 3140 49 VAL HG2 H 1.24 0.005 1 409 3140 49 VAL CA C 65.623 0.021 1 410 3140 49 VAL CB C 30.28 0.005 1 411 3140 49 VAL CG1 C 20.346 0.043 1 412 3140 49 VAL CG2 C 22.921 0.029 1 413 3140 49 VAL N N 117.355 0.024 1 414 3141 50 CYS H H 8.148 0.006 1 415 3141 50 CYS HA H 3.885 0.007 1 416 3141 50 CYS HB2 H 2.738 0.010 1 417 3141 50 CYS HB3 H 3.055 0.003 1 418 3141 50 CYS CA C 63.643 0.014 1 419 3141 50 CYS CB C 24.948 0.024 1 420 3141 50 CYS N N 114.888 0.038 1 421 3142 51 ALA H H 8.445 0.014 1 422 3142 51 ALA HA H 4.229 0.009 1 423 3142 51 ALA HB H 1.592 0.007 1 424 3142 51 ALA CA C 53.367 0.012 1 425 3142 51 ALA CB C 16.561 0.053 1 426 3142 51 ALA N N 121.6 0.016 1 427 3143 52 ILE H H 8.187 0.012 1 428 3143 52 ILE HA H 3.57 0.005 1 429 3143 52 ILE HB H 1.976 0.012 1 430 3143 52 ILE HD1 H 0.58 0.005 1 431 3143 52 ILE HG12 H 0.918 0.009 1 432 3143 52 ILE HG13 H 1.847 0.010 1 433 3143 52 ILE HG2 H 0.482 0.008 1 434 3143 52 ILE CA C 63.742 0.019 1 435 3143 52 ILE CB C 35.717 0.013 1 436 3143 52 ILE CD1 C 12.838 0.042 1 437 3143 52 ILE CG1 C 28.323 0.006 1 438 3143 52 ILE CG2 C 16.154 0.019 1 439 3143 52 ILE N N 120.622 0.025 1 440 3144 53 LEU H H 7.708 0.004 1 441 3144 53 LEU HA H 4.105 0.009 1 442 3144 53 LEU HB2 H 1.531 0.005 1 443 3144 53 LEU HB3 H 1.638 0.004 1 444 3144 53 LEU HD1 H 1.889 0.006 1 445 3144 53 LEU HD2 H 0.723 0.008 1 446 3144 53 LEU HG H 0.757 0.005 1 447 3144 53 LEU CA C 54.086 0.051 1 448 3144 53 LEU CB C 40.018 0.005 1 449 3144 53 LEU CD1 C 24.953 0.107 1 450 3144 53 LEU CD2 C 20.999 0.008 1 451 3144 53 LEU CG C 24.508 0.052 1 452 3144 53 LEU N N 116.302 0.033 1 453 3145 54 GLY H H 7.665 0.004 1 454 3145 54 GLY HA2 H 3.579 0.006 1 455 3145 54 GLY HA3 H 4.045 0.010 1 456 3145 54 GLY CA C 43.435 0.007 1 457 3145 54 GLY N N 106.202 0.009 1 458 3146 55 TYR H H 8.098 0.002 1 459 3146 55 TYR HA H 4.247 0.007 1 460 3146 55 TYR HB2 H 1.824 0.014 1 461 3146 55 TYR HB3 H 2.013 0.005 1 462 3146 55 TYR HD1 H 6.552 0.010 3 463 3146 55 TYR HE1 H 6.616 0.005 3 464 3146 55 TYR CA C 54.438 0.010 1 465 3146 55 TYR CB C 37.13 0.005 1 466 3146 55 TYR CD1 C 130.361 0.057 3 467 3146 55 TYR CE1 C 115.829 0.049 3 468 3146 55 TYR N N 121.669 0.024 1 469 3147 56 GLN H H 8.179 0.002 1 470 3147 56 GLN HA H 4.154 0.004 1 471 3147 56 GLN HB2 H 1.765 0.016 1 472 3147 56 GLN HB3 H 1.814 0.005 1 473 3147 56 GLN HG2 H 2.025 0.001 1 474 3147 56 GLN HG3 H 2.072 0.013 1 475 3147 56 GLN CA C 53.205 0.005 1 476 3147 56 GLN CB C 26.837 0.008 1 477 3147 56 GLN CG C 31.974 0.005 1 478 3147 56 GLN N N 123.821 0.032 1 479 3148 57 PHE H H 7.786 0.003 1 480 3148 57 PHE HA H 4.967 0.003 1 481 3148 57 PHE HB2 H 3.001 0.009 1 482 3148 57 PHE HB3 H 3.048 0.005 1 483 3148 57 PHE HD1 H 6.991 0.008 3 484 3148 57 PHE CA C 53.598 0.004 1 485 3148 57 PHE CB C 40.695 0.005 1 486 3148 57 PHE CD1 C 129.829 0.005 3 487 3148 57 PHE N N 120.294 0.023 1 488 3149 58 SER H H 9.634 0.002 1 489 3149 58 SER HA H 4.663 0.018 1 490 3149 58 SER HB2 H 3.837 0.010 2 491 3149 58 SER CA C 56.764 0.001 1 492 3149 58 SER CB C 63.291 0.009 1 493 3149 58 SER N N 114.643 0.032 1 494 3150 59 ASN H H 7.945 0.003 1 495 3150 59 ASN HA H 4.962 0.003 1 496 3150 59 ASN HB2 H 3.033 0.007 2 497 3150 59 ASN CA C 50.558 0.005 1 498 3150 59 ASN CB C 38.669 0.016 1 499 3150 59 ASN N N 116.953 0.033 1 500 3151 60 TRP HD1 H 7.043 0.006 1 501 3151 60 TRP HE1 H 9.93 0.001 1 502 3151 60 TRP HH2 H 6.626 0.010 1 503 3151 60 TRP HZ3 H 7.398 0.004 1 504 3151 60 TRP CD1 C 125.174 0.032 1 505 3151 60 TRP CH2 C 120.8 0.074 1 506 3151 60 TRP CZ3 C 111.891 0.093 1 507 3151 60 TRP NE1 N 127.874 0.019 1 508 3152 61 ARG H H 8.229 0.004 1 509 3152 61 ARG HA H 4.021 0.003 1 510 3152 61 ARG HB2 H 1.808 0.005 2 511 3152 61 ARG HD2 H 3.14 0.014 2 512 3152 61 ARG HG2 H 1.561 0.005 1 513 3152 61 ARG HG3 H 1.671 0.002 1 514 3152 61 ARG CA C 57.26 0.023 1 515 3152 61 ARG CB C 27.01 0.005 1 516 3152 61 ARG CD C 41.48 0.060 1 517 3152 61 ARG CG C 25.587 0.068 1 518 3152 61 ARG N N 118.773 0.018 1 519 3153 62 ASP H H 7.753 0.005 1 520 3153 62 ASP HA H 4.14 0.016 1 521 3153 62 ASP HB2 H 2.471 0.007 1 522 3153 62 ASP HB3 H 2.795 0.006 1 523 3153 62 ASP CA C 55.182 0.005 1 524 3153 62 ASP CB C 39.471 0.002 1 525 3153 62 ASP N N 117.904 0.021 1 526 3154 63 ILE H H 7.015 0.005 1 527 3154 63 ILE HA H 3.221 0.010 1 528 3154 63 ILE HB H 1.45 0.013 1 529 3154 63 ILE HD1 H 0.521 0.004 1 530 3154 63 ILE HG12 H 0.85 0.008 1 531 3154 63 ILE HG13 H 1.48 0.004 1 532 3154 63 ILE HG2 H 0.347 0.008 1 533 3154 63 ILE CA C 63.336 0.011 1 534 3154 63 ILE CB C 35.008 0.008 1 535 3154 63 ILE CD1 C 11.63 0.025 1 536 3154 63 ILE CG1 C 27.473 0.071 1 537 3154 63 ILE CG2 C 15.949 0.014 1 538 3154 63 ILE N N 121.108 0.016 1 539 3155 64 GLN H H 8.196 0.006 1 540 3155 64 GLN HA H 3.086 0.007 1 541 3155 64 GLN HB2 H 1.535 0.009 2 542 3155 64 GLN HG2 H 1.54 0.001 2 543 3155 64 GLN CA C 57.501 0.024 1 544 3155 64 GLN CB C 27.043 0.005 1 545 3155 64 GLN CG C 32.717 0.035 1 546 3155 64 GLN N N 118.097 0.033 1 547 3156 65 GLN H H 7.181 0.004 1 548 3156 65 GLN HA H 3.712 0.008 1 549 3156 65 GLN HB2 H 1.907 0.006 2 550 3156 65 GLN HG2 H 2.281 0.005 1 551 3156 65 GLN HG3 H 2.324 0.009 1 552 3156 65 GLN CA C 56.493 0.036 1 553 3156 65 GLN CB C 26.435 0.023 1 554 3156 65 GLN CG C 31.931 0.051 1 555 3156 65 GLN N N 113.978 0.031 1 556 3157 66 PHE H H 7.228 0.012 1 557 3157 66 PHE HA H 4.092 0.006 1 558 3157 66 PHE HB2 H 2.756 0.007 1 559 3157 66 PHE HB3 H 2.829 0.009 1 560 3157 66 PHE HD1 H 6.903 0.012 3 561 3157 66 PHE CA C 58.932 0.007 1 562 3157 66 PHE CB C 37.761 0.036 1 563 3157 66 PHE N N 119.642 0.029 1 564 3158 67 ILE H H 7.838 0.004 1 565 3158 67 ILE HA H 2.885 0.008 1 566 3158 67 ILE HB H 1.14 0.003 1 567 3158 67 ILE HD1 H 0.396 0.009 1 568 3158 67 ILE HG12 H 0.752 0.006 1 569 3158 67 ILE HG13 H 0.967 0.007 1 570 3158 67 ILE HG2 H 0.266 0.036 1 571 3158 67 ILE CA C 61.076 0.003 1 572 3158 67 ILE CB C 35.66 0.023 1 573 3158 67 ILE CD1 C 12.842 0.015 1 574 3158 67 ILE CG1 C 24.781 0.001 1 575 3158 67 ILE CG2 C 15.768 0.007 1 576 3158 67 ILE N N 112.795 0.018 1 577 3159 68 ARG H H 7.07 0.004 1 578 3159 68 ARG HA H 3.717 0.005 1 579 3159 68 ARG HB2 H 1.658 0.012 1 580 3159 68 ARG HB3 H 1.743 0.002 1 581 3159 68 ARG HD2 H 2.971 0.002 2 582 3159 68 ARG HG2 H 1.49 0.005 1 583 3159 68 ARG HG3 H 1.642 0.012 1 584 3159 68 ARG CA C 55.559 0.006 1 585 3159 68 ARG CB C 29.267 0.029 1 586 3159 68 ARG CD C 41.958 0.021 1 587 3159 68 ARG CG C 26.526 0.026 1 588 3159 68 ARG N N 117.398 0.027 1 589 3160 69 LYS H H 7.159 0.005 1 590 3160 69 LYS HA H 4.071 0.002 1 591 3160 69 LYS N N 119.401 0.018 1 592 3161 70 ASP HA H 8.66 0.004 1 593 3161 70 ASP HB2 H 4.3 0.002 1 594 3161 70 ASP HB3 H 2.566 0.019 1 595 3161 70 ASP HD2 H 2.612 0.001 1 596 3161 70 ASP CA C 54.783 0.022 1 597 3161 70 ASP CB C 38.965 0.006 1 598 3161 70 ASP N N 121.506 0.084 1 599 3162 71 ASP H H 8.185 0.002 1 600 3162 71 ASP HA H 4.486 0.004 1 601 3162 71 ASP HB2 H 2.472 0.004 1 602 3162 71 ASP HB3 H 2.774 0.009 1 603 3162 71 ASP CA C 51.735 0.035 1 604 3162 71 ASP CB C 37.834 0.021 1 605 3162 71 ASP N N 115.763 0.018 1 606 3163 72 PHE H H 7.344 0.004 1 607 3163 72 PHE HA H 4.073 0.004 1 608 3163 72 PHE HB2 H 2.769 0.003 1 609 3163 72 PHE HB3 H 3.245 0.001 1 610 3163 72 PHE HD1 H 6.916 0.009 3 611 3163 72 PHE HZ H 6.915 0.005 1 612 3163 72 PHE CA C 60.061 0.011 1 613 3163 72 PHE CB C 37.769 0.010 1 614 3163 72 PHE N N 120.548 0.023 1 615 3164 73 ILE H H 7.845 0.003 1 616 3164 73 ILE HA H 3.192 0.004 1 617 3164 73 ILE HB H 1.945 0.012 1 618 3164 73 ILE HD1 H 0.557 0.002 1 619 3164 73 ILE HG12 H 1.388 0.008 1 620 3164 73 ILE HG13 H 1.416 0.008 1 621 3164 73 ILE HG2 H 0.645 0.008 1 622 3164 73 ILE CA C 60.247 0.031 1 623 3164 73 ILE CB C 33.503 0.019 1 624 3164 73 ILE CD1 C 7.677 0.022 1 625 3164 73 ILE CG1 C 25.444 0.033 1 626 3164 73 ILE CG2 C 15.34 0.006 1 627 3164 73 ILE N N 116.076 0.026 1 628 3165 74 HIS H H 7.925 0.006 1 629 3165 74 HIS HA H 3.955 0.010 1 630 3165 74 HIS HB2 H 2.986 0.027 1 631 3165 74 HIS HB3 H 3.115 0.015 1 632 3165 74 HIS HD2 H 6.963 0.003 1 633 3165 74 HIS CA C 58.692 0.041 1 634 3165 74 HIS CB C 28.496 0.035 1 635 3165 74 HIS N N 119.415 0.036 1 636 3166 75 ASN H H 8.441 0.001 1 637 3166 75 ASN HA H 4.377 0.009 1 638 3166 75 ASN HB2 H 2.686 0.010 1 639 3166 75 ASN HB3 H 2.924 0.011 1 640 3166 75 ASN CA C 53.422 0.017 1 641 3166 75 ASN CB C 35.871 0.018 1 642 3166 75 ASN N N 116.093 0.019 1 643 3167 76 ILE H H 7.149 0.006 1 644 3167 76 ILE HA H 3.178 0.003 1 645 3167 76 ILE HB H 1.23 0.006 1 646 3167 76 ILE HD1 H -0.29 0.008 1 647 3167 76 ILE HG12 H -0.309 0.005 1 648 3167 76 ILE HG13 H 1.114 0.006 1 649 3167 76 ILE HG2 H -0.949 0.007 1 650 3167 76 ILE CA C 62.716 0.013 1 651 3167 76 ILE CB C 36.051 0.019 1 652 3167 76 ILE CD1 C 12.112 0.035 1 653 3167 76 ILE CG1 C 26.397 0.033 1 654 3167 76 ILE CG2 C 13.218 0.024 1 655 3167 76 ILE N N 119.432 0.028 1 656 3168 77 VAL H H 8.071 0.002 1 657 3168 77 VAL HA H 3.186 0.005 1 658 3168 77 VAL HB H 1.769 0.005 1 659 3168 77 VAL HG1 H 0.358 0.007 1 660 3168 77 VAL HG2 H 0.709 0.007 1 661 3168 77 VAL CA C 64.687 0.019 1 662 3168 77 VAL CB C 29.836 0.042 1 663 3168 77 VAL CG1 C 19.417 0.042 1 664 3168 77 VAL CG2 C 21.013 0.016 1 665 3168 77 VAL N N 117.316 0.035 1 666 3169 78 HIS H H 7.797 0.006 1 667 3169 78 HIS HA H 4.373 0.006 1 668 3169 78 HIS HB2 H 2.566 0.005 1 669 3169 78 HIS HB3 H 3.268 0.007 1 670 3169 78 HIS HD2 H 6.525 0.008 1 671 3169 78 HIS HE1 H 7.417 0.005 1 672 3169 78 HIS CA C 54.315 0.052 1 673 3169 78 HIS CB C 26.165 0.008 1 674 3169 78 HIS CD2 C 119.37 0.105 1 675 3169 78 HIS CE1 C 135.694 0.005 1 676 3169 78 HIS N N 113.439 0.029 1 677 3170 79 TYR H H 7.061 0.008 1 678 3170 79 TYR HA H 4.231 0.005 1 679 3170 79 TYR HB2 H 3.058 0.007 1 680 3170 79 TYR HB3 H 3.55 0.008 1 681 3170 79 TYR HD1 H 6.999 0.021 3 682 3170 79 TYR HE1 H 6.669 0.017 3 683 3170 79 TYR CA C 57.999 0.035 1 684 3170 79 TYR CB C 37.697 0.036 1 685 3170 79 TYR CD1 C 130.783 0.005 3 686 3170 79 TYR CE1 C 116.629 0.018 3 687 3170 79 TYR N N 123.477 0.016 1 688 3171 80 ASP H H 8.066 0.010 1 689 3171 80 ASP HA H 4.547 0.006 1 690 3171 80 ASP HB2 H 2.417 0.007 1 691 3171 80 ASP HB3 H 2.621 0.006 1 692 3171 80 ASP CA C 51.24 0.005 1 693 3171 80 ASP CB C 39.007 0.004 1 694 3171 80 ASP N N 129.365 0.050 1 695 3172 81 THR H H 7.759 0.005 1 696 3172 81 THR HA H 3.889 0.005 1 697 3172 81 THR HB H 4.048 0.002 1 698 3172 81 THR HG2 H 1.143 0.005 1 699 3172 81 THR CA C 62.312 0.005 1 700 3172 81 THR CB C 67.235 0.028 1 701 3172 81 THR CG2 C 20.355 0.044 1 702 3172 81 THR N N 117.04 0.037 1 703 3173 82 THR H H 8.103 0.004 1 704 3173 82 THR HA H 4.057 0.005 1 705 3173 82 THR HB H 4.16 0.003 1 706 3173 82 THR HG2 H 1.105 0.006 1 707 3173 82 THR CA C 61.333 0.005 1 708 3173 82 THR CB C 67.195 0.034 1 709 3173 82 THR CG2 C 19.968 0.006 1 710 3173 82 THR N N 111.621 0.037 1 711 3174 83 LEU H H 7.376 0.001 1 712 3174 83 LEU HA H 4.156 0.007 1 713 3174 83 LEU HB2 H 1.241 0.004 1 714 3174 83 LEU HB3 H 1.417 0.005 1 715 3174 83 LEU HD1 H 0.742 0.011 1 716 3174 83 LEU HD2 H 0.694 0.004 1 717 3174 83 LEU HG H 1.33 0.012 1 718 3174 83 LEU CA C 53.383 0.043 1 719 3174 83 LEU CB C 40.447 0.015 1 720 3174 83 LEU CD1 C 23.151 0.022 1 721 3174 83 LEU CD2 C 21.688 0.025 1 722 3174 83 LEU CG C 24.948 0.041 1 723 3174 83 LEU N N 122.23 0.017 1 724 3175 84 HIS H H 8.282 0.001 1 725 3175 84 HIS HA H 4.199 0.006 1 726 3175 84 HIS HB2 H 3.092 0.003 2 727 3175 84 HIS CA C 57.342 0.008 1 728 3175 84 HIS CB C 28.777 0.052 1 729 3175 84 HIS N N 122.192 0.023 1 730 3176 85 MET H H 8.218 0.006 1 731 3176 85 MET HE H 1.886 0.005 1 732 3176 85 MET CE C 15.125 0.022 1 733 3176 85 MET N N 117.629 0.032 1 734 3178 87 PRO HA H 4.139 0.006 1 735 3178 87 PRO HB2 H 1.928 0.006 1 736 3178 87 PRO HB3 H 2.319 0.005 1 737 3178 87 PRO HD2 H 3.73 0.005 1 738 3178 87 PRO HD3 H 3.835 0.005 1 739 3178 87 PRO HG2 H 2.016 0.005 1 740 3178 87 PRO HG3 H 2.135 0.005 1 741 3178 87 PRO CA C 63.922 0.018 1 742 3178 87 PRO CB C 30.164 0.018 1 743 3178 87 PRO CD C 49.416 0.002 1 744 3178 87 PRO CG C 26.061 0.001 1 745 3179 88 GLN H H 8.924 0.005 1 746 3179 88 GLN N N 115.79 0.005 1 747 3180 89 ILE H H 7.238 0.008 1 748 3180 89 ILE HA H 3.94 0.011 1 749 3180 89 ILE HB H 2.028 0.006 1 750 3180 89 ILE HD1 H 0.839 0.002 1 751 3180 89 ILE HG12 H 1.218 0.005 1 752 3180 89 ILE HG13 H 1.532 0.005 1 753 3180 89 ILE HG2 H 0.9 0.013 1 754 3180 89 ILE CA C 61.07 0.021 1 755 3180 89 ILE CB C 35.706 0.049 1 756 3180 89 ILE CD1 C 10.357 0.015 1 757 3180 89 ILE CG1 C 26.662 0.070 1 758 3180 89 ILE CG2 C 15.95 0.005 1 759 3180 89 ILE N N 119.658 0.020 1 760 3181 90 ARG H H 7.693 0.008 1 761 3181 90 ARG HA H 3.743 0.004 1 762 3181 90 ARG HB2 H 1.718 0.005 1 763 3181 90 ARG HB3 H 1.913 0.007 1 764 3181 90 ARG HD2 H 3.079 0.005 2 765 3181 90 ARG HG2 H 1.557 0.005 2 766 3181 90 ARG CA C 58.449 0.009 1 767 3181 90 ARG CB C 27.497 0.008 1 768 3181 90 ARG CD C 40.959 0.005 1 769 3181 90 ARG CG C 25.666 0.005 1 770 3181 90 ARG N N 121.203 0.014 1 771 3182 91 LYS H H 8.149 0.004 1 772 3182 91 LYS HA H 3.986 0.008 1 773 3182 91 LYS N N 117.914 0.037 1 774 3183 92 TYR H H 7.407 0.002 1 775 3183 92 TYR HA H 4.275 0.007 1 776 3183 92 TYR HB2 H 3.118 0.005 2 777 3183 92 TYR HD1 H 6.977 0.017 3 778 3183 92 TYR HE1 H 6.688 0.008 3 779 3183 92 TYR CA C 58.86 0.046 1 780 3183 92 TYR CB C 36.421 0.055 1 781 3183 92 TYR CD1 C 130.781 0.005 3 782 3183 92 TYR CE1 C 115.935 0.086 3 783 3183 92 TYR N N 119.036 0.026 1 784 3184 93 MET H H 8.174 0.005 1 785 3184 93 MET HA H 4.095 0.006 1 786 3184 93 MET HB2 H 1.786 0.010 1 787 3184 93 MET HB3 H 1.982 0.010 1 788 3184 93 MET HE H 1.839 0.006 1 789 3184 93 MET HG2 H 2.581 0.012 1 790 3184 93 MET HG3 H 2.688 0.016 1 791 3184 93 MET CA C 56.056 0.107 1 792 3184 93 MET CB C 29.813 0.030 1 793 3184 93 MET CE C 16.163 0.005 1 794 3184 93 MET CG C 30.733 0.037 1 795 3184 93 MET N N 115.774 0.049 1 796 3185 94 GLU H H 8.232 0.003 1 797 3185 94 GLU HA H 3.859 0.005 1 798 3185 94 GLU HB2 H 1.964 0.004 1 799 3185 94 GLU HB3 H 2.177 0.005 1 800 3185 94 GLU HG2 H 2.107 0.013 1 801 3185 94 GLU HG3 H 2.392 0.006 1 802 3185 94 GLU CA C 57.785 0.033 1 803 3185 94 GLU CB C 27.822 0.041 1 804 3185 94 GLU CG C 35.122 0.124 1 805 3185 94 GLU N N 118.771 0.016 1 806 3186 95 GLU H H 8.107 0.003 1 807 3186 95 GLU HA H 3.941 0.011 1 808 3186 95 GLU HB2 H 1.996 0.001 1 809 3186 95 GLU HB3 H 2.167 0.007 1 810 3186 95 GLU HG2 H 2.155 0.009 1 811 3186 95 GLU HG3 H 2.391 0.003 1 812 3186 95 GLU CA C 56.959 0.005 1 813 3186 95 GLU CB C 28.164 0.121 1 814 3186 95 GLU CG C 34.971 0.029 1 815 3186 95 GLU N N 117.148 0.034 1 816 3187 96 GLU H H 8.208 0.006 1 817 3187 96 GLU HA H 4.056 0.008 1 818 3187 96 GLU HB2 H 1.213 0.004 1 819 3187 96 GLU HB3 H 1.3 0.006 1 820 3187 96 GLU HG2 H 1.575 0.006 1 821 3187 96 GLU HG3 H 1.732 0.007 1 822 3187 96 GLU CA C 55.989 0.058 1 823 3187 96 GLU CB C 27.886 0.062 1 824 3187 96 GLU CG C 33.408 0.040 1 825 3187 96 GLU N N 117.537 0.047 1 826 3188 97 PHE H H 7.565 0.003 1 827 3188 97 PHE HA H 4.463 0.011 1 828 3188 97 PHE HB2 H 2.436 0.014 1 829 3188 97 PHE HB3 H 2.804 0.009 1 830 3188 97 PHE HD1 H 6.939 0.036 3 831 3188 97 PHE CA C 57.4 0.011 1 832 3188 97 PHE CB C 37.766 0.005 1 833 3188 97 PHE N N 115.865 0.028 1 834 3189 98 LEU H H 7.839 0.003 1 835 3189 98 LEU HA H 4.189 0.003 1 836 3189 98 LEU HB2 H 1.701 0.008 1 837 3189 98 LEU HB3 H 1.826 0.010 1 838 3189 98 LEU HD1 H 0.847 0.006 1 839 3189 98 LEU HD2 H 0.88 0.003 1 840 3189 98 LEU HG H 1.683 0.018 1 841 3189 98 LEU CA C 55.254 0.029 1 842 3189 98 LEU CB C 39.534 0.014 1 843 3189 98 LEU CD1 C 23.605 0.035 1 844 3189 98 LEU CD2 C 21.435 0.021 1 845 3189 98 LEU CG C 25.89 0.003 1 846 3189 98 LEU N N 115.783 0.062 1 847 3190 99 SER H H 7.373 0.004 1 848 3190 99 SER HA H 4.299 0.005 1 849 3190 99 SER HB2 H 3.827 0.008 1 850 3190 99 SER HB3 H 3.879 0.009 1 851 3190 99 SER CA C 56.679 0.017 1 852 3190 99 SER CB C 62 0.086 1 853 3190 99 SER N N 110.87 0.034 1 854 3191 100 ASP H H 7.544 0.004 1 855 3191 100 ASP HA H 4.85 0.012 1 856 3191 100 ASP HB2 H 2.428 0.009 1 857 3191 100 ASP HB3 H 3.055 0.018 1 858 3191 100 ASP CA C 49.668 0.024 1 859 3191 100 ASP CB C 40.964 0.035 1 860 3191 100 ASP N N 124.209 0.037 1 861 3192 101 PRO HA H 4.337 0.006 1 862 3192 101 PRO HB2 H 1.886 0.010 1 863 3192 101 PRO HB3 H 2.267 0.012 1 864 3192 101 PRO HD2 H 3.876 0.005 2 865 3192 101 PRO HG2 H 1.919 0.008 1 866 3192 101 PRO HG3 H 1.965 0.008 1 867 3192 101 PRO CA C 62.337 0.021 1 868 3192 101 PRO CB C 30.486 0.033 1 869 3192 101 PRO CD C 49.433 0.023 1 870 3192 101 PRO CG C 25.425 0.096 1 871 3193 102 ASN H H 8.907 0.003 1 872 3193 102 ASN HA H 4.672 0.010 1 873 3193 102 ASN HB2 H 2.688 0.004 1 874 3193 102 ASN HB3 H 2.842 0.005 1 875 3193 102 ASN CA C 51.854 0.013 1 876 3193 102 ASN CB C 37.338 0.002 1 877 3193 102 ASN N N 114.931 0.026 1 878 3194 103 PHE H H 8.139 0.004 1 879 3194 103 PHE HA H 4.615 0.006 1 880 3194 103 PHE HB2 H 3.629 0.014 2 881 3194 103 PHE HD1 H 7.309 0.009 3 882 3194 103 PHE HE1 H 6.995 0.011 3 883 3194 103 PHE HZ H 6.79 0.008 1 884 3194 103 PHE CA C 55.141 0.024 1 885 3194 103 PHE CB C 36.767 0.011 1 886 3194 103 PHE CD1 C 130.608 0.062 3 887 3194 103 PHE CE1 C 128.608 0.047 3 888 3194 103 PHE CZ C 126.208 0.054 1 889 3194 103 PHE N N 124.186 0.019 1 890 3195 104 THR H H 7.279 0.005 1 891 3195 104 THR HA H 4.37 0.012 1 892 3195 104 THR HB H 4.305 0.020 1 893 3195 104 THR HG2 H 1.099 0.007 1 894 3195 104 THR CA C 56.855 0.003 1 895 3195 104 THR CB C 70.463 0.009 1 896 3195 104 THR CG2 C 19.954 0.022 1 897 3195 104 THR N N 113.132 0.035 1 898 3196 105 TYR H H 8.466 0.003 1 899 3196 105 TYR HA H 2.933 0.009 1 900 3196 105 TYR HB2 H 2.612 0.008 2 901 3196 105 TYR HD1 H 6.854 0.005 3 902 3196 105 TYR HE1 H 6.586 0.005 3 903 3196 105 TYR CA C 60.007 0.014 1 904 3196 105 TYR CB C 36.214 0.027 1 905 3196 105 TYR CD1 C 130.652 0.069 3 906 3196 105 TYR CE1 C 115.433 0.082 3 907 3196 105 TYR N N 122.092 0.033 1 908 3197 106 GLU H H 8.596 0.002 1 909 3197 106 GLU HA H 3.59 0.008 1 910 3197 106 GLU HB2 H 1.803 0.006 1 911 3197 106 GLU HB3 H 1.942 0.006 1 912 3197 106 GLU HG2 H 2.229 0.012 1 913 3197 106 GLU HG3 H 2.26 0.005 1 914 3197 106 GLU CA C 58.096 0.010 1 915 3197 106 GLU CB C 27.402 0.005 1 916 3197 106 GLU CG C 34.818 0.001 1 917 3197 106 GLU N N 115.765 0.024 1 918 3198 107 THR H H 7.352 0.005 1 919 3198 107 THR HA H 3.731 0.003 1 920 3198 107 THR HB H 4.109 0.006 1 921 3198 107 THR HG2 H 1.17 0.005 1 922 3198 107 THR CA C 63.762 0.022 1 923 3198 107 THR CB C 66.722 0.017 1 924 3198 107 THR CG2 C 20.716 0.017 1 925 3198 107 THR N N 113.042 0.024 1 926 3199 108 ILE H H 7.746 0.004 1 927 3199 108 ILE HA H 3.491 0.014 1 928 3199 108 ILE HB H 1.402 0.009 1 929 3199 108 ILE HD1 H 0.496 0.015 1 930 3199 108 ILE HG12 H 1.073 0.011 1 931 3199 108 ILE HG13 H 1.376 0.009 1 932 3199 108 ILE HG2 H 0.597 0.010 1 933 3199 108 ILE CA C 62.717 0.052 1 934 3199 108 ILE CB C 35.615 0.054 1 935 3199 108 ILE CD1 C 12.077 0.016 1 936 3199 108 ILE CG1 C 27.677 0.011 1 937 3199 108 ILE CG2 C 17.133 0.029 1 938 3199 108 ILE N N 123.173 0.025 1 939 3200 109 ASN H H 8.399 0.005 1 940 3200 109 ASN HA H 4.143 0.008 1 941 3200 109 ASN HB2 H 1.589 0.011 1 942 3200 109 ASN HB3 H 2.061 0.004 1 943 3200 109 ASN CA C 53.389 0.052 1 944 3200 109 ASN CB C 37.202 0.006 1 945 3200 109 ASN N N 117.558 0.018 1 946 3201 110 ARG H H 7.096 0.006 1 947 3201 110 ARG HA H 3.839 0.009 1 948 3201 110 ARG HB2 H 1.731 0.011 1 949 3201 110 ARG HB3 H 1.801 0.008 1 950 3201 110 ARG HD2 H 3.107 0.007 2 951 3201 110 ARG HG2 H 1.522 0.005 1 952 3201 110 ARG HG3 H 1.658 0.005 1 953 3201 110 ARG CA C 56.357 0.017 1 954 3201 110 ARG CB C 28.471 0.023 1 955 3201 110 ARG CD C 41.632 0.005 1 956 3201 110 ARG CG C 25.938 0.001 1 957 3201 110 ARG N N 114.595 0.028 1 958 3202 111 ALA H H 7.137 0.004 1 959 3202 111 ALA HA H 4.089 0.012 1 960 3202 111 ALA HB H 1.367 0.004 1 961 3202 111 ALA CA C 52.115 0.018 1 962 3202 111 ALA CB C 17.289 0.012 1 963 3202 111 ALA N N 120.968 0.019 1 964 3203 112 SER H H 7.851 0.010 1 965 3203 112 SER HA H 4.405 0.010 1 966 3203 112 SER HB2 H 3.343 0.017 1 967 3203 112 SER HB3 H 3.874 0.012 1 968 3203 112 SER CA C 55.758 0.053 1 969 3203 112 SER CB C 62.244 0.011 1 970 3203 112 SER N N 110.617 0.034 1 971 3204 113 LYS H H 8.987 0.003 1 972 3204 113 LYS HA H 4.378 0.012 1 973 3204 113 LYS N N 129.399 0.034 1 974 3205 114 ALA H H 8.105 0.007 1 975 3205 114 ALA HA H 4.171 0.005 1 976 3205 114 ALA HB H 1.273 0.008 1 977 3205 114 ALA CA C 52.073 0.018 1 978 3205 114 ALA CB C 17.552 0.012 1 979 3205 114 ALA N N 119.22 0.043 1 980 3206 115 CYS H H 7.483 0.002 1 981 3206 115 CYS HA H 4.241 0.011 1 982 3206 115 CYS HB2 H 2.771 0.007 1 983 3206 115 CYS HB3 H 2.97 0.007 1 984 3206 115 CYS CA C 60.426 0.008 1 985 3206 115 CYS CB C 26.732 0.012 1 986 3206 115 CYS N N 109.003 0.028 1 987 3207 116 GLY H H 7.83 0.005 1 988 3207 116 GLY HA2 H 3.566 0.010 1 989 3207 116 GLY HA3 H 4.403 0.006 1 990 3207 116 GLY CA C 47.453 0.033 1 991 3207 116 GLY N N 109.015 0.025 1 992 3208 117 PRO HA H 4.599 0.004 1 993 3208 117 PRO HB2 H 1.587 0.010 1 994 3208 117 PRO HB3 H 2.306 0.007 1 995 3208 117 PRO HD2 H 3.75 0.003 1 996 3208 117 PRO HD3 H 3.848 0.005 1 997 3208 117 PRO HG2 H 2.006 0.004 2 998 3208 117 PRO CA C 63.145 0.033 1 999 3208 117 PRO CB C 30.665 0.043 1 1000 3208 117 PRO CD C 35.431 13.996 1 1001 3208 117 PRO CG C 26.245 0.005 1 1002 3209 118 LEU H H 6.681 0.007 1 1003 3209 118 LEU HA H 4.101 0.025 1 1004 3209 118 LEU HB2 H 1.344 0.005 1 1005 3209 118 LEU HB3 H 2.045 0.005 1 1006 3209 118 LEU HD1 H 1.897 0.009 1 1007 3209 118 LEU HD2 H 0.643 0.007 1 1008 3209 118 LEU HG H 0.963 0.005 1 1009 3209 118 LEU CA C 56.175 0.006 1 1010 3209 118 LEU CB C 39.354 0.015 1 1011 3209 118 LEU CD1 C 24.861 0.022 1 1012 3209 118 LEU CD2 C 21.477 0.021 1 1013 3209 118 LEU CG C 24.539 0.034 1 1014 3209 118 LEU N N 114.771 0.030 1 1015 3210 119 TYR H H 8.531 0.008 1 1016 3210 119 TYR HA H 3.838 0.026 1 1017 3210 119 TYR HB2 H 2.897 0.010 1 1018 3210 119 TYR HB3 H 3.592 0.005 1 1019 3210 119 TYR HD1 H 6.612 0.014 3 1020 3210 119 TYR HE1 H 6.181 0.008 3 1021 3210 119 TYR CA C 60.643 0.005 1 1022 3210 119 TYR CB C 36.235 0.039 1 1023 3210 119 TYR CD1 C 130.879 0.046 3 1024 3210 119 TYR CE1 C 115.971 0.111 3 1025 3210 119 TYR N N 120.76 0.018 1 1026 3211 120 GLN H H 8.292 0.004 1 1027 3211 120 GLN N N 118.017 0.030 1 1028 3212 121 TRP H H 8.437 0.003 1 1029 3212 121 TRP HA H 3.815 0.010 1 1030 3212 121 TRP HB2 H 3.002 0.005 1 1031 3212 121 TRP HB3 H 3.556 0.004 1 1032 3212 121 TRP HD1 H 6.791 0.008 1 1033 3212 121 TRP HE1 H 10.768 0.002 1 1034 3212 121 TRP HE3 H 7.34 0.006 1 1035 3212 121 TRP HH2 H 6.308 0.011 1 1036 3212 121 TRP HZ2 H 6.758 0.010 1 1037 3212 121 TRP HZ3 H 7.117 0.006 1 1038 3212 121 TRP CA C 61.611 0.053 1 1039 3212 121 TRP CB C 26.664 0.022 1 1040 3212 121 TRP CD1 C 121.965 0.080 1 1041 3212 121 TRP CE3 C 117.234 0.064 1 1042 3212 121 TRP CH2 C 121.959 0.094 1 1043 3212 121 TRP CZ2 C 119.395 0.094 1 1044 3212 121 TRP CZ3 C 113.487 0.025 1 1045 3212 121 TRP N N 121.319 0.034 1 1046 3212 121 TRP NE1 N 129.898 0.030 1 1047 3213 122 VAL H H 8.544 0.008 1 1048 3213 122 VAL HA H 2.945 0.011 1 1049 3213 122 VAL HB H 2.088 0.003 1 1050 3213 122 VAL HG1 H 0.708 0.013 1 1051 3213 122 VAL HG2 H 1.227 0.007 1 1052 3213 122 VAL CA C 65.159 0.039 1 1053 3213 122 VAL CB C 30.218 0.005 1 1054 3213 122 VAL CG1 C 20.007 0.025 1 1055 3213 122 VAL CG2 C 22.306 0.020 1 1056 3213 122 VAL N N 118.92 0.027 1 1057 3214 123 ASN H H 7.977 0.007 1 1058 3214 123 ASN HA H 4.035 0.007 1 1059 3214 123 ASN HB2 H 2.165 0.019 1 1060 3214 123 ASN HB3 H 2.379 0.011 1 1061 3214 123 ASN CA C 55.103 0.016 1 1062 3214 123 ASN CB C 37.173 0.005 1 1063 3214 123 ASN N N 115.55 0.026 1 1064 3215 124 ALA H H 7.871 0.003 1 1065 3215 124 ALA HA H 4.026 0.005 1 1066 3215 124 ALA HB H 1.192 0.008 1 1067 3215 124 ALA CA C 53.446 0.014 1 1068 3215 124 ALA CB C 16.172 0.012 1 1069 3215 124 ALA N N 121.06 0.022 1 1070 3216 125 GLN H H 7.61 0.004 1 1071 3216 125 GLN HA H 3.822 0.009 1 1072 3216 125 GLN HB2 H 1.449 0.013 1 1073 3216 125 GLN HB3 H 1.765 0.010 1 1074 3216 125 GLN HG2 H 0.576 0.009 1 1075 3216 125 GLN HG3 H 1.265 0.006 1 1076 3216 125 GLN CA C 56.302 0.032 1 1077 3216 125 GLN CB C 25.176 0.017 1 1078 3216 125 GLN CG C 29.357 0.027 1 1079 3216 125 GLN N N 115.028 0.024 1 1080 3217 126 ILE H H 8.136 0.004 1 1081 3217 126 ILE HA H 3.455 0.009 1 1082 3217 126 ILE HB H 1.925 0.009 1 1083 3217 126 ILE HD1 H 0.719 0.005 1 1084 3217 126 ILE HG12 H 0.872 0.006 1 1085 3217 126 ILE HG13 H 1.68 0.005 1 1086 3217 126 ILE HG2 H 0.782 0.004 1 1087 3217 126 ILE CA C 63.567 0.021 1 1088 3217 126 ILE CB C 35.667 0.022 1 1089 3217 126 ILE CD1 C 12.362 0.017 1 1090 3217 126 ILE CG1 C 27.416 0.050 1 1091 3217 126 ILE CG2 C 15.577 0.001 1 1092 3217 126 ILE N N 120.919 0.027 1 1093 3218 127 ASN H H 8.27 0.005 1 1094 3218 127 ASN HA H 4.328 0.003 1 1095 3218 127 ASN HB2 H 2.594 0.006 1 1096 3218 127 ASN HB3 H 2.86 0.007 1 1097 3218 127 ASN CA C 54.375 0.007 1 1098 3218 127 ASN CB C 35.674 0.025 1 1099 3218 127 ASN N N 118.66 0.022 1 1100 3219 128 PHE H H 8.677 0.003 1 1101 3219 128 PHE HA H 4.184 0.006 1 1102 3219 128 PHE HB2 H 3.116 0.004 2 1103 3219 128 PHE HD1 H 7.072 0.006 3 1104 3219 128 PHE HE1 H 7.108 0.005 3 1105 3219 128 PHE CA C 59.278 0.010 1 1106 3219 128 PHE CB C 37.399 0.005 1 1107 3219 128 PHE N N 122.593 0.025 1 1108 3220 129 SER H H 7.968 0.004 1 1109 3220 129 SER HA H 3.962 0.003 1 1110 3220 129 SER N N 113.065 0.025 1 1111 3221 130 LYS H H 8.205 0.004 1 1112 3221 130 LYS HA H 3.812 0.002 1 1113 3221 130 LYS HB2 H 1.741 0.004 2 1114 3221 130 LYS HG2 H 1.28 0.007 1 1115 3221 130 LYS HG3 H 1.513 0.005 1 1116 3221 130 LYS CA C 57.869 0.058 1 1117 3221 130 LYS CB C 30.556 0.005 1 1118 3221 130 LYS CG C 23.928 0.023 1 1119 3221 130 LYS N N 119.376 0.023 1 1120 3222 131 CYS H H 7.603 0.009 1 1121 3222 131 CYS HA H 4.2 0.010 1 1122 3222 131 CYS CA C 57.344 0.015 1 1123 3222 131 CYS N N 118.145 0.024 1 1124 3223 132 LEU H H 7.666 0.002 1 1125 3223 132 LEU HA H 3.808 0.008 1 1126 3223 132 LEU HB2 H 1.164 0.011 1 1127 3223 132 LEU HB3 H 1.55 0.005 1 1128 3223 132 LEU HD1 H 0.253 0.004 1 1129 3223 132 LEU HD2 H 0.412 0.006 1 1130 3223 132 LEU HG H 1.16 0.006 1 1131 3223 132 LEU CA C 54.831 0.016 1 1132 3223 132 LEU CB C 39.921 0.008 1 1133 3223 132 LEU CD1 C 23.45 0.007 1 1134 3223 132 LEU CD2 C 20.593 0.008 1 1135 3223 132 LEU CG C 24.389 0.021 1 1136 3223 132 LEU N N 118.845 0.031 1 1137 3224 133 GLU H H 7.663 0.003 1 1138 3224 133 GLU HA H 4.004 0.005 1 1139 3224 133 GLU HB2 H 1.972 0.028 2 1140 3224 133 GLU HG2 H 2.181 0.005 1 1141 3224 133 GLU HG3 H 2.305 0.005 1 1142 3224 133 GLU CA C 55.835 0.006 1 1143 3224 133 GLU CB C 28.503 0.002 1 1144 3224 133 GLU CG C 34.648 0.001 1 1145 3224 133 GLU N N 117.824 0.011 1 1146 3225 134 ASN H H 7.643 0.005 1 1147 3225 134 ASN HA H 4.65 0.026 1 1148 3225 134 ASN HB2 H 2.772 0.050 1 1149 3225 134 ASN HB3 H 2.86 0.005 1 1150 3225 134 ASN CA C 51.733 0.004 1 1151 3225 134 ASN CB C 37.215 0.004 1 1152 3225 134 ASN N N 116.777 0.029 1 1153 3226 135 VAL H H 7.7 0.004 1 1154 3226 135 VAL HA H 3.999 0.003 1 1155 3226 135 VAL HB H 2.02 0.003 1 1156 3226 135 VAL HG1 H 0.825 0.005 1 1157 3226 135 VAL HG2 H 0.838 0.003 1 1158 3226 135 VAL CA C 60.508 0.022 1 1159 3226 135 VAL CB C 30.849 0.005 1 1160 3226 135 VAL CG1 C 19.599 0.010 1 1161 3226 135 VAL CG2 C 19.062 0.036 1 1162 3226 135 VAL N N 119.085 0.024 1 1163 3227 136 ASP H H 8.208 0.003 1 1164 3227 136 ASP HA H 4.81 0.003 1 1165 3227 136 ASP HB2 H 2.477 0.005 1 1166 3227 136 ASP HB3 H 2.717 0.004 1 1167 3227 136 ASP CA C 50.366 0.026 1 1168 3227 136 ASP CB C 39.477 0.005 1 1169 3227 136 ASP N N 124.826 0.021 1 1170 3228 137 PRO HA H 4.345 0.002 1 1171 3228 137 PRO HB2 H 1.869 0.005 1 1172 3228 137 PRO HB3 H 2.249 0.008 1 1173 3228 137 PRO HD2 H 3.794 0.006 1 1174 3228 137 PRO HD3 H 3.903 0.005 1 1175 3228 137 PRO HG2 H 1.935 0.005 1 1176 3228 137 PRO HG3 H 1.976 0.005 1 1177 3228 137 PRO CA C 61.808 0.018 1 1178 3228 137 PRO CB C 30.5 0.009 1 1179 3228 137 PRO CD C 49.468 0.004 1 1180 3228 137 PRO CG C 25.392 0.003 1 1181 3229 138 LEU H H 8.251 0.001 1 1182 3229 138 LEU HA H 4.22 0.002 1 1183 3229 138 LEU HB2 H 1.55 0.005 1 1184 3229 138 LEU HB3 H 1.654 0.005 1 1185 3229 138 LEU HD1 H 0.868 0.005 1 1186 3229 138 LEU HD2 H 0.793 0.005 1 1187 3229 138 LEU HG H 1.562 0.004 1 1188 3229 138 LEU CA C 25.355 0.005 1 1189 3229 138 LEU CB C 39.967 0.005 1 1190 3229 138 LEU CD1 C 23.243 0.005 1 1191 3229 138 LEU CD2 C 21.409 0.002 1 1192 3229 138 LEU CG C 25.246 0.005 1 1193 3229 138 LEU N N 119.978 0.032 1 1194 3230 139 ARG H H 7.894 0.002 1 1195 3230 139 ARG HA H 4.253 0.005 1 1196 3230 139 ARG HB2 H 1.695 0.005 1 1197 3230 139 ARG HB3 H 1.821 0.005 1 1198 3230 139 ARG HD2 H 3.135 0.005 2 1199 3230 139 ARG HG2 H 1.507 0.005 2 1200 3230 139 ARG CA C 54.038 0.005 1 1201 3230 139 ARG CB C 29.001 0.011 1 1202 3230 139 ARG CD C 41.435 0.005 1 1203 3230 139 ARG CG C 25.422 0.006 1 1204 3230 139 ARG N N 121.136 0.005 1 1205 3231 140 GLN H H 8.358 0.019 1 1206 3231 140 GLN HA H 4.285 0.011 1 1207 3231 140 GLN HB2 H 1.897 0.003 1 1208 3231 140 GLN HB3 H 2.057 0.002 1 1209 3231 140 GLN HG2 H 2.279 0.005 2 1210 3231 140 GLN CA C 53.876 0.005 1 1211 3231 140 GLN CB C 27.897 0.020 1 1212 3231 140 GLN CG C 32.064 0.005 1 1213 3231 140 GLN N N 122.534 0.049 1 1214 3232 141 GLU H H 8.012 0.001 1 1215 3232 141 GLU HA H 4.075 0.013 1 1216 3232 141 GLU HB2 H 1.821 0.002 1 1217 3232 141 GLU HB3 H 2.009 0.002 1 1218 3232 141 GLU HG2 H 2.116 0.005 2 1219 3232 141 GLU CA C 56.331 0.005 1 1220 3232 141 GLU CB C 29.022 0.047 1 1221 3232 141 GLU CG C 34.917 0.005 1 1222 3232 141 GLU N N 127.417 0.030 1 stop_ save_