data_19078 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Human fibrillin1 EGF2-EGF3-hybrid1-cbEGF1 ; _BMRB_accession_number 19078 _BMRB_flat_file_name bmr19078.str _Entry_type original _Submission_date 2013-03-06 _Accession_date 2013-03-06 _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 Robertson Ian B . 2 Osuch Isabelle . . 3 Jensen Sacha A . 4 Yadin David A . 5 Handford Penny A . 6 Redfield Christina . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 833 "13C chemical shifts" 624 "15N chemical shifts" 170 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-04-16 original author . stop_ _Original_release_date 2014-04-16 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (13)C and (15)N resonance assignments for the fibrillin-1 EGF2-EGF3-hybrid1-cbEGF1 four-domain fragment.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23649688 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Robertson Ian B. . 2 Osuch Isabelle . . 3 Yadin David A. . 4 Handford Penny A. . 5 Jensen Sacha A. . 6 Redfield Christina . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 8 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 189 _Page_last 194 _Year 2014 _Details . loop_ _Keyword 'calcium binding' EGF 'epidermal growth factor like' fibrillin 'hybrid domain' microfibril stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'fibrillin e2cb1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label fibrillin $e2cb1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_e2cb1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common e2cb1 _Molecular_mass 18823.4 _Mol_thiol_state 'all disulfide bound' _Details ; Predicted Disulfide bonds based on homology models: C9-C19 C13-C24 C26-C35 C40-C50 C44-C56 C58-C67 C76-C99 C85-C111 C100-C114 C121-C134 C140-C152 C147-C161 C163-C176 ; ############################## # Polymer residue sequence # ############################## _Residue_count 177 _Mol_residue_sequence ; SASRSIQHCNIRCMNGGSCS DDHCLCQKGYIGTHCGQPVC ESGCLNGGRCVAPNRCACTY GFTGPQCERDYRTGPCFTVI SNQMCQGQLSGIVSTKTLCC ATVGRAWGHPCEMCPAQPHP CRRGFIPNIRTGACQDVDEC QAIPGLCQGGNCINTVGSFE CKCPAGHKLNEVSQKCE ; loop_ _Residue_seq_code _Residue_label 1 SER 2 ALA 3 SER 4 ARG 5 SER 6 ILE 7 GLN 8 HIS 9 CYS 10 ASN 11 ILE 12 ARG 13 CYS 14 MET 15 ASN 16 GLY 17 GLY 18 SER 19 CYS 20 SER 21 ASP 22 ASP 23 HIS 24 CYS 25 LEU 26 CYS 27 GLN 28 LYS 29 GLY 30 TYR 31 ILE 32 GLY 33 THR 34 HIS 35 CYS 36 GLY 37 GLN 38 PRO 39 VAL 40 CYS 41 GLU 42 SER 43 GLY 44 CYS 45 LEU 46 ASN 47 GLY 48 GLY 49 ARG 50 CYS 51 VAL 52 ALA 53 PRO 54 ASN 55 ARG 56 CYS 57 ALA 58 CYS 59 THR 60 TYR 61 GLY 62 PHE 63 THR 64 GLY 65 PRO 66 GLN 67 CYS 68 GLU 69 ARG 70 ASP 71 TYR 72 ARG 73 THR 74 GLY 75 PRO 76 CYS 77 PHE 78 THR 79 VAL 80 ILE 81 SER 82 ASN 83 GLN 84 MET 85 CYS 86 GLN 87 GLY 88 GLN 89 LEU 90 SER 91 GLY 92 ILE 93 VAL 94 SER 95 THR 96 LYS 97 THR 98 LEU 99 CYS 100 CYS 101 ALA 102 THR 103 VAL 104 GLY 105 ARG 106 ALA 107 TRP 108 GLY 109 HIS 110 PRO 111 CYS 112 GLU 113 MET 114 CYS 115 PRO 116 ALA 117 GLN 118 PRO 119 HIS 120 PRO 121 CYS 122 ARG 123 ARG 124 GLY 125 PHE 126 ILE 127 PRO 128 ASN 129 ILE 130 ARG 131 THR 132 GLY 133 ALA 134 CYS 135 GLN 136 ASP 137 VAL 138 ASP 139 GLU 140 CYS 141 GLN 142 ALA 143 ILE 144 PRO 145 GLY 146 LEU 147 CYS 148 GLN 149 GLY 150 GLY 151 ASN 152 CYS 153 ILE 154 ASN 155 THR 156 VAL 157 GLY 158 SER 159 PHE 160 GLU 161 CYS 162 LYS 163 CYS 164 PRO 165 ALA 166 GLY 167 HIS 168 LYS 169 LEU 170 ASN 171 GLU 172 VAL 173 SER 174 GLN 175 LYS 176 CYS 177 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value UNP P35555 FBN1 . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $e2cb1 Human 9606 Eukaryota Metazoa Homo sapiens 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 $e2cb1 'recombinant technology' . Escherichia coli BL21 pQE30 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 $e2cb1 1 mM '[U-13C; U-15N]' 'calcium chloride' 5 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $e2cb1 1 mM '[U-13C; U-15N]' 'calcium chloride' 5 mM 'natural abundance' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker500 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_Omega950 _Saveframe_category NMR_spectrometer _Manufacturer 'home built' _Model OMEGA _Field_strength 950 _Details . save_ save_Omega750 _Saveframe_category NMR_spectrometer _Manufacturer 'home built' _Model OMEGA _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '5mM calcium chloride' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 15 . mM pH 5.4 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HBHA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D 1H-13C NOESY' '2D 1H-1H NOESY' 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 fibrillin _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 1 1 SER C C 170.810 0.200 1 2 1 1 SER CA C 57.496 0.200 1 3 1 1 SER CB C 63.275 0.200 1 4 2 2 ALA H H 8.734 0.020 1 5 2 2 ALA HA H 4.423 0.020 1 6 2 2 ALA HB H 1.418 0.020 1 7 2 2 ALA C C 177.627 0.200 1 8 2 2 ALA CA C 52.635 0.200 1 9 2 2 ALA CB C 19.345 0.200 1 10 2 2 ALA N N 125.030 0.200 1 11 3 3 SER H H 8.409 0.020 1 12 3 3 SER HA H 4.434 0.020 1 13 3 3 SER HB2 H 3.881 0.020 2 14 3 3 SER HB3 H 3.884 0.020 2 15 3 3 SER C C 174.611 0.200 1 16 3 3 SER CA C 58.378 0.200 1 17 3 3 SER CB C 63.855 0.200 1 18 3 3 SER N N 115.985 0.200 1 19 4 4 ARG H H 8.438 0.020 1 20 4 4 ARG HA H 4.403 0.020 1 21 4 4 ARG HB2 H 1.885 0.020 2 22 4 4 ARG HB3 H 1.774 0.020 2 23 4 4 ARG HG2 H 1.636 0.020 1 24 4 4 ARG HD2 H 3.201 0.020 1 25 4 4 ARG C C 176.243 0.200 1 26 4 4 ARG CA C 56.134 0.200 1 27 4 4 ARG CB C 30.914 0.200 1 28 4 4 ARG CG C 27.063 0.200 1 29 4 4 ARG CD C 43.291 0.200 1 30 4 4 ARG N N 123.382 0.200 1 31 5 5 SER H H 8.367 0.020 1 32 5 5 SER HA H 4.461 0.020 1 33 5 5 SER HB2 H 3.834 0.020 1 34 5 5 SER C C 174.454 0.200 1 35 5 5 SER CA C 58.264 0.200 1 36 5 5 SER CB C 63.795 0.200 1 37 5 5 SER N N 117.593 0.200 1 38 6 6 ILE H H 8.207 0.020 1 39 6 6 ILE HA H 4.183 0.020 1 40 6 6 ILE HB H 1.842 0.020 1 41 6 6 ILE HG12 H 1.166 0.020 2 42 6 6 ILE HG13 H 1.426 0.020 2 43 6 6 ILE HG2 H 0.840 0.020 1 44 6 6 ILE HD1 H 0.852 0.020 1 45 6 6 ILE C C 176.070 0.200 1 46 6 6 ILE CA C 61.144 0.200 1 47 6 6 ILE CB C 38.751 0.200 1 48 6 6 ILE CG1 C 27.309 0.200 1 49 6 6 ILE CG2 C 17.529 0.200 1 50 6 6 ILE CD1 C 13.038 0.200 1 51 6 6 ILE N N 122.913 0.200 1 52 7 7 GLN H H 8.409 0.020 1 53 7 7 GLN HA H 4.335 0.020 1 54 7 7 GLN HB2 H 1.947 0.020 2 55 7 7 GLN HB3 H 2.056 0.020 2 56 7 7 GLN HG3 H 2.343 0.020 1 57 7 7 GLN C C 175.617 0.200 1 58 7 7 GLN CA C 55.608 0.200 1 59 7 7 GLN CB C 29.694 0.200 1 60 7 7 GLN CG C 33.849 0.200 1 61 7 7 GLN N N 124.362 0.200 1 62 8 8 HIS H H 8.612 0.020 1 63 8 8 HIS HA H 4.711 0.020 1 64 8 8 HIS HB2 H 3.164 0.020 2 65 8 8 HIS HB3 H 3.246 0.020 2 66 8 8 HIS C C 173.820 0.200 1 67 8 8 HIS CA C 55.434 0.200 1 68 8 8 HIS CB C 29.504 0.200 1 69 8 8 HIS N N 120.652 0.200 1 70 9 9 CYS H H 8.530 0.020 1 71 9 9 CYS HA H 4.698 0.020 1 72 9 9 CYS HB2 H 3.333 0.020 2 73 9 9 CYS HB3 H 3.086 0.020 2 74 9 9 CYS C C 174.531 0.200 1 75 9 9 CYS CA C 56.427 0.200 1 76 9 9 CYS CB C 41.517 0.200 1 77 9 9 CYS N N 121.201 0.200 1 78 10 10 ASN H H 9.143 0.020 1 79 10 10 ASN HA H 4.823 0.020 1 80 10 10 ASN HB2 H 2.682 0.020 2 81 10 10 ASN HB3 H 2.851 0.020 2 82 10 10 ASN HD21 H 7.670 0.020 1 83 10 10 ASN HD22 H 6.847 0.020 1 84 10 10 ASN C C 174.566 0.200 1 85 10 10 ASN CA C 53.543 0.200 1 86 10 10 ASN CB C 39.207 0.200 1 87 10 10 ASN N N 122.710 0.200 1 88 10 10 ASN ND2 N 112.899 0.200 1 89 11 11 ILE H H 7.234 0.020 1 90 11 11 ILE HA H 4.191 0.020 1 91 11 11 ILE HB H 1.612 0.020 1 92 11 11 ILE HG12 H 1.023 0.020 2 93 11 11 ILE HG13 H 1.407 0.020 2 94 11 11 ILE HG2 H 0.726 0.020 1 95 11 11 ILE HD1 H 0.647 0.020 1 96 11 11 ILE C C 173.893 0.200 1 97 11 11 ILE CA C 60.646 0.200 1 98 11 11 ILE CB C 40.364 0.200 1 99 11 11 ILE CG1 C 27.781 0.200 1 100 11 11 ILE CG2 C 17.133 0.200 1 101 11 11 ILE CD1 C 13.767 0.200 1 102 11 11 ILE N N 118.745 0.200 1 103 12 12 ARG H H 8.470 0.020 1 104 12 12 ARG HA H 4.305 0.020 1 105 12 12 ARG HB3 H 1.681 0.020 1 106 12 12 ARG HG2 H 1.568 0.020 2 107 12 12 ARG HG3 H 1.447 0.020 2 108 12 12 ARG HD2 H 3.125 0.020 1 109 12 12 ARG C C 175.752 0.200 1 110 12 12 ARG CA C 55.636 0.200 1 111 12 12 ARG CB C 30.352 0.200 1 112 12 12 ARG CG C 27.076 0.200 1 113 12 12 ARG CD C 43.199 0.200 1 114 12 12 ARG N N 124.715 0.200 1 115 13 13 CYS H H 8.626 0.020 1 116 13 13 CYS HA H 4.687 0.020 1 117 13 13 CYS HB3 H 2.367 0.020 1 118 13 13 CYS C C 173.685 0.200 1 119 13 13 CYS CA C 53.193 0.200 1 120 13 13 CYS CB C 39.380 0.200 1 121 13 13 CYS N N 124.464 0.200 1 122 14 14 MET H H 8.354 0.020 1 123 14 14 MET HA H 4.407 0.020 1 124 14 14 MET HB2 H 1.808 0.020 2 125 14 14 MET HB3 H 2.010 0.020 2 126 14 14 MET HG3 H 2.506 0.020 1 127 14 14 MET HE H 1.426 0.020 1 128 14 14 MET C C 176.391 0.200 1 129 14 14 MET CA C 55.197 0.200 1 130 14 14 MET CB C 34.836 0.200 1 131 14 14 MET CG C 32.624 0.200 1 132 14 14 MET N N 121.184 0.200 1 133 15 15 ASN H H 9.086 0.020 1 134 15 15 ASN HA H 4.100 0.020 1 135 15 15 ASN HB2 H 1.938 0.020 2 136 15 15 ASN HB3 H 1.462 0.020 2 137 15 15 ASN HD21 H 7.301 0.020 1 138 15 15 ASN HD22 H 7.753 0.020 1 139 15 15 ASN C C 176.663 0.200 1 140 15 15 ASN CA C 54.845 0.200 1 141 15 15 ASN CB C 36.563 0.200 1 142 15 15 ASN N N 114.675 0.200 1 143 15 15 ASN ND2 N 118.637 0.200 1 144 16 16 GLY H H 8.775 0.020 1 145 16 16 GLY HA2 H 4.039 0.020 2 146 16 16 GLY HA3 H 3.708 0.020 2 147 16 16 GLY C C 175.534 0.200 1 148 16 16 GLY CA C 45.813 0.200 1 149 16 16 GLY N N 107.140 0.200 1 150 17 17 GLY H H 7.384 0.020 1 151 17 17 GLY HA2 H 3.436 0.020 2 152 17 17 GLY HA3 H 4.390 0.020 2 153 17 17 GLY C C 171.703 0.200 1 154 17 17 GLY CA C 45.682 0.200 1 155 17 17 GLY N N 107.157 0.200 1 156 18 18 SER H H 8.408 0.020 1 157 18 18 SER HA H 4.722 0.020 1 158 18 18 SER HB2 H 4.408 0.020 2 159 18 18 SER HB3 H 3.812 0.020 2 160 18 18 SER C C 172.443 0.200 1 161 18 18 SER CA C 57.085 0.200 1 162 18 18 SER CB C 65.275 0.200 1 163 18 18 SER N N 114.637 0.200 1 164 19 19 CYS H H 8.906 0.020 1 165 19 19 CYS HA H 4.885 0.020 1 166 19 19 CYS HB2 H 3.147 0.020 2 167 19 19 CYS HB3 H 3.146 0.020 2 168 19 19 CYS C C 174.444 0.200 1 169 19 19 CYS CA C 56.248 0.200 1 170 19 19 CYS CB C 41.981 0.200 1 171 19 19 CYS N N 123.835 0.200 1 172 20 20 SER H H 8.774 0.020 1 173 20 20 SER HA H 4.507 0.020 1 174 20 20 SER HB2 H 3.540 0.020 2 175 20 20 SER HB3 H 3.605 0.020 2 176 20 20 SER C C 173.993 0.200 1 177 20 20 SER CA C 57.920 0.200 1 178 20 20 SER CB C 64.127 0.200 1 179 20 20 SER N N 123.001 0.200 1 180 21 21 ASP H H 9.099 0.020 1 181 21 21 ASP HA H 4.230 0.020 1 182 21 21 ASP HB2 H 2.936 0.020 2 183 21 21 ASP HB3 H 2.699 0.020 2 184 21 21 ASP C C 174.783 0.200 1 185 21 21 ASP CA C 56.643 0.200 1 186 21 21 ASP CB C 39.581 0.200 1 187 21 21 ASP N N 126.098 0.200 1 188 22 22 ASP H H 8.165 0.020 1 189 22 22 ASP HA H 4.375 0.020 1 190 22 22 ASP HB2 H 2.816 0.020 2 191 22 22 ASP HB3 H 2.797 0.020 2 192 22 22 ASP C C 174.271 0.200 1 193 22 22 ASP CA C 55.118 0.200 1 194 22 22 ASP CB C 40.034 0.200 1 195 22 22 ASP N N 115.132 0.200 1 196 23 23 HIS H H 7.858 0.020 1 197 23 23 HIS HA H 4.891 0.020 1 198 23 23 HIS HB3 H 3.264 0.020 1 199 23 23 HIS HE1 H 7.249 0.020 1 200 23 23 HIS C C 172.627 0.200 1 201 23 23 HIS CA C 54.568 0.200 1 202 23 23 HIS CB C 31.049 0.200 1 203 23 23 HIS N N 114.607 0.200 1 204 24 24 CYS H H 9.090 0.020 1 205 24 24 CYS HA H 4.917 0.020 1 206 24 24 CYS HB2 H 2.726 0.020 1 207 24 24 CYS HB3 H 2.726 0.020 1 208 24 24 CYS C C 174.113 0.200 1 209 24 24 CYS CA C 55.075 0.200 1 210 24 24 CYS CB C 41.982 0.200 1 211 24 24 CYS N N 118.195 0.200 1 212 25 25 LEU H H 9.287 0.020 1 213 25 25 LEU HA H 4.647 0.020 1 214 25 25 LEU HB2 H 1.662 0.020 1 215 25 25 LEU HD1 H 0.900 0.020 2 216 25 25 LEU HD2 H 0.890 0.020 2 217 25 25 LEU C C 176.835 0.200 1 218 25 25 LEU CA C 53.961 0.200 1 219 25 25 LEU CB C 41.302 0.200 1 220 25 25 LEU CD1 C 24.304 0.200 1 221 25 25 LEU N N 126.992 0.200 1 222 26 26 CYS H H 8.861 0.020 1 223 26 26 CYS HA H 4.788 0.020 1 224 26 26 CYS HB2 H 2.696 0.020 2 225 26 26 CYS HB3 H 3.397 0.020 2 226 26 26 CYS C C 176.705 0.200 1 227 26 26 CYS CA C 53.215 0.200 1 228 26 26 CYS CB C 37.501 0.200 1 229 26 26 CYS N N 123.468 0.200 1 230 27 27 GLN H H 8.638 0.020 1 231 27 27 GLN HA H 4.359 0.020 1 232 27 27 GLN HB2 H 2.374 0.020 2 233 27 27 GLN HB3 H 1.896 0.020 2 234 27 27 GLN HG2 H 2.559 0.020 2 235 27 27 GLN HG3 H 2.329 0.020 2 236 27 27 GLN HE21 H 7.379 0.020 1 237 27 27 GLN HE22 H 6.933 0.020 1 238 27 27 GLN C C 175.167 0.200 1 239 27 27 GLN CA C 55.562 0.200 1 240 27 27 GLN CB C 29.391 0.200 1 241 27 27 GLN CG C 33.784 0.200 1 242 27 27 GLN N N 121.045 0.200 1 243 27 27 GLN NE2 N 112.532 0.200 1 244 28 28 LYS H H 8.402 0.020 1 245 28 28 LYS HA H 4.069 0.020 1 246 28 28 LYS HB2 H 1.794 0.020 2 247 28 28 LYS HB3 H 1.828 0.020 2 248 28 28 LYS HG2 H 1.480 0.020 2 249 28 28 LYS HG3 H 1.427 0.020 2 250 28 28 LYS HD3 H 1.684 0.020 1 251 28 28 LYS HE2 H 3.005 0.020 1 252 28 28 LYS C C 177.209 0.200 1 253 28 28 LYS CA C 58.320 0.200 1 254 28 28 LYS CB C 32.216 0.200 1 255 28 28 LYS CG C 24.643 0.200 1 256 28 28 LYS CD C 29.173 0.200 1 257 28 28 LYS CE C 42.009 0.200 1 258 28 28 LYS N N 121.200 0.200 1 259 29 29 GLY H H 8.706 0.020 1 260 29 29 GLY HA2 H 3.480 0.020 2 261 29 29 GLY HA3 H 4.078 0.020 2 262 29 29 GLY C C 171.694 0.200 1 263 29 29 GLY CA C 44.725 0.200 1 264 29 29 GLY N N 113.199 0.200 1 265 30 30 TYR H H 7.767 0.020 1 266 30 30 TYR HA H 5.255 0.020 1 267 30 30 TYR HB2 H 2.606 0.020 2 268 30 30 TYR HB3 H 2.781 0.020 2 269 30 30 TYR HD1 H 6.705 0.020 3 270 30 30 TYR HD2 H 6.705 0.020 3 271 30 30 TYR HE1 H 6.682 0.020 3 272 30 30 TYR HE2 H 6.682 0.020 3 273 30 30 TYR C C 175.007 0.200 1 274 30 30 TYR CA C 57.308 0.200 1 275 30 30 TYR CB C 41.918 0.200 1 276 30 30 TYR CD1 C 133.581 0.200 3 277 30 30 TYR CD2 C 133.581 0.200 3 278 30 30 TYR CE1 C 117.796 0.200 3 279 30 30 TYR CE2 C 117.796 0.200 3 280 30 30 TYR N N 116.343 0.200 1 281 31 31 ILE H H 9.169 0.020 1 282 31 31 ILE HA H 4.775 0.020 1 283 31 31 ILE HB H 1.968 0.020 1 284 31 31 ILE HG12 H 0.973 0.020 2 285 31 31 ILE HG13 H 1.245 0.020 2 286 31 31 ILE HG2 H 0.780 0.020 1 287 31 31 ILE HD1 H 0.768 0.020 1 288 31 31 ILE C C 175.060 0.200 1 289 31 31 ILE CA C 60.068 0.200 1 290 31 31 ILE CB C 42.797 0.200 1 291 31 31 ILE CG1 C 25.651 0.200 1 292 31 31 ILE CG2 C 17.574 0.200 1 293 31 31 ILE CD1 C 14.000 0.200 1 294 31 31 ILE N N 116.464 0.200 1 295 32 32 GLY H H 7.879 0.020 1 296 32 32 GLY HA2 H 5.052 0.020 2 297 32 32 GLY HA3 H 3.881 0.020 2 298 32 32 GLY C C 177.451 0.200 1 299 32 32 GLY CA C 43.751 0.200 1 300 32 32 GLY N N 106.332 0.200 1 301 33 33 THR H H 8.764 0.020 1 302 33 33 THR HA H 3.843 0.020 1 303 33 33 THR HB H 3.854 0.020 1 304 33 33 THR HG2 H 0.988 0.020 1 305 33 33 THR C C 174.923 0.200 1 306 33 33 THR CA C 66.027 0.200 1 307 33 33 THR CB C 69.144 0.200 1 308 33 33 THR CG2 C 21.810 0.200 1 309 33 33 THR N N 118.912 0.200 1 310 34 34 HIS H H 8.807 0.020 1 311 34 34 HIS C C 174.961 0.200 1 312 34 34 HIS CA C 54.110 0.200 1 313 34 34 HIS CB C 28.869 0.200 1 314 34 34 HIS N N 114.399 0.200 1 315 35 35 CYS H H 7.937 0.020 1 316 35 35 CYS HA H 4.085 0.020 1 317 35 35 CYS HB2 H 3.157 0.020 2 318 35 35 CYS HB3 H 3.460 0.020 2 319 35 35 CYS C C 175.046 0.200 1 320 35 35 CYS CA C 54.959 0.200 1 321 35 35 CYS CB C 36.397 0.200 1 322 35 35 CYS N N 113.570 0.200 1 323 36 36 GLY H H 8.728 0.020 1 324 36 36 GLY HA2 H 3.887 0.020 2 325 36 36 GLY HA3 H 3.792 0.020 2 326 36 36 GLY C C 174.046 0.200 1 327 36 36 GLY CA C 46.032 0.200 1 328 36 36 GLY N N 105.194 0.200 1 329 37 37 GLN H H 8.378 0.020 1 330 37 37 GLN HA H 5.089 0.020 1 331 37 37 GLN HB2 H 1.956 0.020 1 332 37 37 GLN HG3 H 2.264 0.020 1 333 37 37 GLN HE21 H 7.701 0.020 1 334 37 37 GLN HE22 H 7.001 0.020 1 335 37 37 GLN C C 172.609 0.200 1 336 37 37 GLN CA C 52.182 0.200 1 337 37 37 GLN CB C 30.429 0.200 1 338 37 37 GLN CG C 33.364 0.200 1 339 37 37 GLN N N 121.573 0.200 1 340 37 37 GLN NE2 N 112.533 0.200 1 341 38 38 PRO HA H 4.682 0.020 1 342 38 38 PRO HB2 H 1.557 0.020 2 343 38 38 PRO HB3 H 1.291 0.020 2 344 38 38 PRO HG2 H 1.644 0.020 2 345 38 38 PRO HG3 H 1.299 0.020 2 346 38 38 PRO HD2 H 3.939 0.020 2 347 38 38 PRO HD3 H 4.342 0.020 2 348 38 38 PRO C C 175.852 0.200 1 349 38 38 PRO CA C 61.640 0.200 1 350 38 38 PRO CB C 31.541 0.200 1 351 38 38 PRO CG C 27.044 0.200 1 352 38 38 PRO CD C 50.601 0.200 1 353 39 39 VAL H H 8.119 0.020 1 354 39 39 VAL HA H 3.946 0.020 1 355 39 39 VAL HB H 1.654 0.020 1 356 39 39 VAL HG1 H 0.742 0.020 2 357 39 39 VAL HG2 H 0.745 0.020 2 358 39 39 VAL C C 176.121 0.200 1 359 39 39 VAL CA C 62.168 0.200 1 360 39 39 VAL CB C 33.516 0.200 1 361 39 39 VAL CG1 C 21.185 0.200 2 362 39 39 VAL CG2 C 21.541 0.200 2 363 39 39 VAL N N 120.239 0.200 1 364 40 40 CYS H H 8.867 0.020 1 365 40 40 CYS HA H 5.107 0.020 1 366 40 40 CYS HB2 H 3.037 0.020 2 367 40 40 CYS HB3 H 2.793 0.020 2 368 40 40 CYS C C 175.239 0.200 1 369 40 40 CYS CA C 58.959 0.200 1 370 40 40 CYS CB C 36.933 0.200 1 371 40 40 CYS N N 128.851 0.200 1 372 41 41 GLU H H 8.960 0.020 1 373 41 41 GLU HA H 3.820 0.020 1 374 41 41 GLU HB2 H 2.010 0.020 2 375 41 41 GLU HB3 H 2.003 0.020 2 376 41 41 GLU HG2 H 2.360 0.020 2 377 41 41 GLU HG3 H 2.234 0.020 2 378 41 41 GLU C C 177.684 0.200 1 379 41 41 GLU CA C 59.886 0.200 1 380 41 41 GLU CB C 29.837 0.200 1 381 41 41 GLU CG C 36.910 0.200 1 382 41 41 GLU N N 124.981 0.200 1 383 42 42 SER H H 8.606 0.020 1 384 42 42 SER HA H 4.533 0.020 1 385 42 42 SER HB2 H 3.731 0.020 2 386 42 42 SER HB3 H 3.880 0.020 2 387 42 42 SER C C 174.209 0.200 1 388 42 42 SER CA C 58.098 0.200 1 389 42 42 SER CB C 63.242 0.200 1 390 42 42 SER N N 113.933 0.200 1 391 43 43 GLY H H 7.659 0.020 1 392 43 43 GLY HA2 H 3.721 0.020 2 393 43 43 GLY HA3 H 4.025 0.020 2 394 43 43 GLY C C 172.097 0.200 1 395 43 43 GLY CA C 44.599 0.200 1 396 43 43 GLY N N 108.429 0.200 1 397 44 44 CYS H H 8.156 0.020 1 398 44 44 CYS HA H 4.622 0.020 1 399 44 44 CYS HB2 H 2.251 0.020 2 400 44 44 CYS HB3 H 2.371 0.020 2 401 44 44 CYS C C 173.894 0.200 1 402 44 44 CYS CA C 53.203 0.200 1 403 44 44 CYS CB C 40.099 0.200 1 404 44 44 CYS N N 116.020 0.200 1 405 45 45 LEU H H 8.445 0.020 1 406 45 45 LEU HA H 4.353 0.020 1 407 45 45 LEU HB2 H 1.313 0.020 2 408 45 45 LEU HB3 H 1.642 0.020 2 409 45 45 LEU HD1 H 0.784 0.020 2 410 45 45 LEU HD2 H 0.771 0.020 2 411 45 45 LEU C C 177.742 0.200 1 412 45 45 LEU CA C 54.415 0.200 1 413 45 45 LEU CB C 43.904 0.200 1 414 45 45 LEU CD1 C 25.232 0.200 2 415 45 45 LEU CD2 C 21.923 0.200 2 416 45 45 LEU N N 123.564 0.200 1 417 46 46 ASN H H 8.878 0.020 1 418 46 46 ASN HA H 3.916 0.020 1 419 46 46 ASN HB2 H 1.884 0.020 2 420 46 46 ASN HB3 H 1.120 0.020 2 421 46 46 ASN HD22 H 7.996 0.020 1 422 46 46 ASN C C 175.434 0.200 1 423 46 46 ASN CA C 54.883 0.200 1 424 46 46 ASN CB C 36.584 0.200 1 425 46 46 ASN N N 113.807 0.200 1 426 47 47 GLY H H 8.528 0.020 1 427 47 47 GLY HA2 H 3.625 0.020 2 428 47 47 GLY HA3 H 4.116 0.020 2 429 47 47 GLY C C 175.412 0.200 1 430 47 47 GLY CA C 45.188 0.200 1 431 47 47 GLY N N 105.230 0.200 1 432 48 48 GLY H H 7.574 0.020 1 433 48 48 GLY HA2 H 3.564 0.020 2 434 48 48 GLY HA3 H 4.372 0.020 2 435 48 48 GLY C C 171.266 0.200 1 436 48 48 GLY CA C 45.433 0.200 1 437 48 48 GLY N N 107.149 0.200 1 438 49 49 ARG H H 8.336 0.020 1 439 49 49 ARG HA H 4.680 0.020 1 440 49 49 ARG HB2 H 1.717 0.020 2 441 49 49 ARG HB3 H 1.710 0.020 2 442 49 49 ARG HG2 H 1.564 0.020 2 443 49 49 ARG HG3 H 1.450 0.020 2 444 49 49 ARG HD2 H 3.194 0.020 1 445 49 49 ARG C C 174.532 0.200 1 446 49 49 ARG CA C 53.985 0.200 1 447 49 49 ARG CB C 33.853 0.200 1 448 49 49 ARG CG C 27.339 0.200 1 449 49 49 ARG CD C 43.286 0.200 1 450 49 49 ARG N N 117.827 0.200 1 451 50 50 CYS H H 9.097 0.020 1 452 50 50 CYS HA H 4.891 0.020 1 453 50 50 CYS HB2 H 2.985 0.020 2 454 50 50 CYS HB3 H 3.559 0.020 2 455 50 50 CYS C C 175.299 0.200 1 456 50 50 CYS CA C 56.587 0.200 1 457 50 50 CYS CB C 28.750 0.200 1 458 50 50 CYS N N 126.289 0.200 1 459 51 51 VAL H H 8.599 0.020 1 460 51 51 VAL HA H 4.565 0.020 1 461 51 51 VAL HB H 2.372 0.020 1 462 51 51 VAL HG1 H 0.814 0.020 2 463 51 51 VAL HG2 H 0.956 0.020 2 464 51 51 VAL C C 175.038 0.200 1 465 51 51 VAL CA C 61.916 0.200 1 466 51 51 VAL CB C 33.496 0.200 1 467 51 51 VAL CG1 C 18.067 0.200 2 468 51 51 VAL CG2 C 22.066 0.200 2 469 51 51 VAL N N 122.051 0.200 1 470 52 52 ALA H H 8.698 0.020 1 471 52 52 ALA HA H 4.335 0.020 1 472 52 52 ALA HB H 1.438 0.020 1 473 52 52 ALA C C 172.017 0.200 1 474 52 52 ALA CA C 50.938 0.200 1 475 52 52 ALA CB C 18.515 0.200 1 476 52 52 ALA N N 126.849 0.200 1 477 53 53 PRO HA H 4.263 0.020 1 478 53 53 PRO HB2 H 1.869 0.020 2 479 53 53 PRO HB3 H 2.174 0.020 2 480 53 53 PRO HG2 H 1.960 0.020 2 481 53 53 PRO HG3 H 1.724 0.020 2 482 53 53 PRO HD2 H 3.457 0.020 2 483 53 53 PRO HD3 H 3.505 0.020 2 484 53 53 PRO C C 176.953 0.200 1 485 53 53 PRO CA C 64.743 0.200 1 486 53 53 PRO CB C 31.294 0.200 1 487 53 53 PRO CG C 24.357 0.200 1 488 53 53 PRO CD C 50.188 0.200 1 489 54 54 ASN H H 9.083 0.020 1 490 54 54 ASN HA H 4.460 0.020 1 491 54 54 ASN HB2 H 3.167 0.020 2 492 54 54 ASN HB3 H 2.845 0.020 2 493 54 54 ASN HD21 H 7.521 0.020 1 494 54 54 ASN HD22 H 7.110 0.020 1 495 54 54 ASN C C 173.269 0.200 1 496 54 54 ASN CA C 54.946 0.200 1 497 54 54 ASN CB C 37.843 0.200 1 498 54 54 ASN N N 121.383 0.200 1 499 54 54 ASN ND2 N 113.311 0.200 1 500 55 55 ARG H H 8.415 0.020 1 501 55 55 ARG HB2 H 1.457 0.020 2 502 55 55 ARG HB3 H 1.604 0.020 2 503 55 55 ARG HD2 H 3.182 0.020 1 504 55 55 ARG C C 173.939 0.200 1 505 55 55 ARG CA C 55.718 0.200 1 506 55 55 ARG CB C 32.894 0.200 1 507 55 55 ARG CD C 43.425 0.200 1 508 55 55 ARG N N 121.807 0.200 1 509 56 56 CYS H H 8.877 0.020 1 510 56 56 CYS HA H 5.331 0.020 1 511 56 56 CYS HB2 H 2.756 0.020 2 512 56 56 CYS HB3 H 2.619 0.020 2 513 56 56 CYS C C 174.923 0.200 1 514 56 56 CYS CA C 54.055 0.200 1 515 56 56 CYS CB C 43.017 0.200 1 516 56 56 CYS N N 123.803 0.200 1 517 57 57 ALA H H 9.724 0.020 1 518 57 57 ALA HA H 4.787 0.020 1 519 57 57 ALA HB H 1.431 0.020 1 520 57 57 ALA C C 177.307 0.200 1 521 57 57 ALA CA C 51.307 0.200 1 522 57 57 ALA CB C 20.404 0.200 1 523 57 57 ALA N N 127.289 0.200 1 524 58 58 CYS H H 8.871 0.020 1 525 58 58 CYS HA H 5.018 0.020 1 526 58 58 CYS HB2 H 3.502 0.020 2 527 58 58 CYS HB3 H 2.706 0.020 2 528 58 58 CYS C C 176.396 0.200 1 529 58 58 CYS CA C 52.878 0.200 1 530 58 58 CYS CB C 38.600 0.200 1 531 58 58 CYS N N 123.048 0.200 1 532 59 59 THR H H 8.749 0.020 1 533 59 59 THR HA H 4.470 0.020 1 534 59 59 THR HB H 4.540 0.020 1 535 59 59 THR HG2 H 1.285 0.020 1 536 59 59 THR C C 173.882 0.200 1 537 59 59 THR CA C 61.571 0.200 1 538 59 59 THR CB C 70.067 0.200 1 539 59 59 THR CG2 C 22.154 0.200 1 540 59 59 THR N N 115.483 0.200 1 541 60 60 TYR H H 8.480 0.020 1 542 60 60 TYR HA H 4.186 0.020 1 543 60 60 TYR HB2 H 2.861 0.020 2 544 60 60 TYR HB3 H 3.246 0.020 2 545 60 60 TYR HD1 H 7.169 0.020 3 546 60 60 TYR HD2 H 7.169 0.020 3 547 60 60 TYR HE1 H 6.912 0.020 3 548 60 60 TYR HE2 H 6.912 0.020 3 549 60 60 TYR C C 176.287 0.200 1 550 60 60 TYR CA C 61.177 0.200 1 551 60 60 TYR CB C 38.181 0.200 1 552 60 60 TYR CD1 C 133.204 0.200 3 553 60 60 TYR CD2 C 133.204 0.200 3 554 60 60 TYR CE1 C 118.153 0.200 3 555 60 60 TYR CE2 C 118.153 0.200 3 556 60 60 TYR N N 120.032 0.200 1 557 61 61 GLY H H 7.220 0.020 1 558 61 61 GLY HA2 H 3.509 0.020 2 559 61 61 GLY HA3 H 2.043 0.020 2 560 61 61 GLY C C 170.960 0.200 1 561 61 61 GLY CA C 44.496 0.200 1 562 61 61 GLY N N 114.388 0.200 1 563 62 62 PHE H H 7.596 0.020 1 564 62 62 PHE HA H 5.560 0.020 1 565 62 62 PHE HB2 H 3.002 0.020 2 566 62 62 PHE HB3 H 2.889 0.020 2 567 62 62 PHE HD1 H 6.955 0.020 3 568 62 62 PHE HD2 H 6.955 0.020 3 569 62 62 PHE HE1 H 7.101 0.020 3 570 62 62 PHE HE2 H 7.101 0.020 3 571 62 62 PHE HZ H 7.033 0.020 1 572 62 62 PHE C C 175.626 0.200 1 573 62 62 PHE CA C 56.375 0.200 1 574 62 62 PHE CB C 42.221 0.200 1 575 62 62 PHE N N 115.993 0.200 1 576 63 63 THR H H 9.261 0.020 1 577 63 63 THR HA H 4.919 0.020 1 578 63 63 THR HB H 4.216 0.020 1 579 63 63 THR HG2 H 1.149 0.020 1 580 63 63 THR C C 172.948 0.200 1 581 63 63 THR CA C 59.900 0.200 1 582 63 63 THR CB C 70.271 0.200 1 583 63 63 THR CG2 C 19.437 0.200 1 584 63 63 THR N N 115.354 0.200 1 585 64 64 GLY H H 7.918 0.020 1 586 64 64 GLY HA2 H 3.974 0.020 2 587 64 64 GLY HA3 H 4.939 0.020 2 588 64 64 GLY C C 174.585 0.200 1 589 64 64 GLY CA C 43.667 0.200 1 590 64 64 GLY N N 109.218 0.200 1 591 65 65 PRO HA H 4.400 0.020 1 592 65 65 PRO HB2 H 2.100 0.020 2 593 65 65 PRO HB3 H 2.393 0.020 2 594 65 65 PRO HG3 H 2.090 0.020 1 595 65 65 PRO HD2 H 3.630 0.020 1 596 65 65 PRO C C 178.095 0.200 1 597 65 65 PRO CA C 65.282 0.200 1 598 65 65 PRO CB C 31.809 0.200 1 599 65 65 PRO CG C 28.335 0.200 1 600 65 65 PRO CD C 49.977 0.200 1 601 66 66 GLN H H 9.040 0.020 1 602 66 66 GLN HA H 4.956 0.020 1 603 66 66 GLN HB2 H 1.931 0.020 2 604 66 66 GLN HB3 H 2.392 0.020 2 605 66 66 GLN HG2 H 2.302 0.020 2 606 66 66 GLN HG3 H 2.092 0.020 2 607 66 66 GLN HE21 H 6.761 0.020 1 608 66 66 GLN HE22 H 7.335 0.020 1 609 66 66 GLN C C 175.748 0.200 1 610 66 66 GLN CA C 55.170 0.200 1 611 66 66 GLN CB C 30.419 0.200 1 612 66 66 GLN CG C 35.480 0.200 1 613 66 66 GLN N N 116.278 0.200 1 614 66 66 GLN NE2 N 111.589 0.200 1 615 67 67 CYS H H 8.067 0.020 1 616 67 67 CYS HA H 4.001 0.020 1 617 67 67 CYS HB2 H 3.571 0.020 2 618 67 67 CYS HB3 H 3.175 0.020 2 619 67 67 CYS C C 174.752 0.200 1 620 67 67 CYS CA C 55.349 0.200 1 621 67 67 CYS CB C 36.695 0.200 1 622 67 67 CYS N N 114.088 0.200 1 623 68 68 GLU H H 10.504 0.020 1 624 68 68 GLU HA H 4.042 0.020 1 625 68 68 GLU HB2 H 1.916 0.020 2 626 68 68 GLU HB3 H 2.101 0.020 2 627 68 68 GLU HG2 H 2.154 0.020 2 628 68 68 GLU HG3 H 2.473 0.020 2 629 68 68 GLU C C 176.738 0.200 1 630 68 68 GLU CA C 57.509 0.200 1 631 68 68 GLU CB C 29.678 0.200 1 632 68 68 GLU CG C 35.904 0.200 1 633 68 68 GLU N N 119.078 0.200 1 634 69 69 ARG H H 9.001 0.020 1 635 69 69 ARG HA H 4.592 0.020 1 636 69 69 ARG HB2 H 1.685 0.020 2 637 69 69 ARG HB3 H 1.994 0.020 2 638 69 69 ARG HG2 H 1.600 0.020 2 639 69 69 ARG HG3 H 1.465 0.020 2 640 69 69 ARG C C 173.818 0.200 1 641 69 69 ARG CA C 55.682 0.200 1 642 69 69 ARG CB C 31.098 0.200 1 643 69 69 ARG CG C 27.567 0.200 1 644 69 69 ARG N N 124.542 0.200 1 645 70 70 ASP H H 8.459 0.020 1 646 70 70 ASP HA H 4.623 0.020 1 647 70 70 ASP HB2 H 2.821 0.020 2 648 70 70 ASP HB3 H 2.498 0.020 2 649 70 70 ASP C C 176.502 0.200 1 650 70 70 ASP CA C 52.523 0.200 1 651 70 70 ASP CB C 41.950 0.200 1 652 70 70 ASP N N 125.553 0.200 1 653 71 71 TYR H H 8.657 0.020 1 654 71 71 TYR HA H 4.781 0.020 1 655 71 71 TYR HB2 H 3.186 0.020 2 656 71 71 TYR HB3 H 2.629 0.020 2 657 71 71 TYR HD1 H 6.859 0.020 3 658 71 71 TYR HD2 H 6.859 0.020 3 659 71 71 TYR HE1 H 6.547 0.020 3 660 71 71 TYR HE2 H 6.547 0.020 3 661 71 71 TYR C C 175.802 0.200 1 662 71 71 TYR CA C 56.054 0.200 1 663 71 71 TYR CB C 38.492 0.200 1 664 71 71 TYR CD1 C 133.654 0.200 3 665 71 71 TYR CD2 C 133.654 0.200 3 666 71 71 TYR CE1 C 118.004 0.200 3 667 71 71 TYR CE2 C 118.004 0.200 3 668 71 71 TYR N N 124.175 0.200 1 669 72 72 ARG H H 8.150 0.020 1 670 72 72 ARG HA H 4.177 0.020 1 671 72 72 ARG HB3 H 2.031 0.020 1 672 72 72 ARG C C 177.329 0.200 1 673 72 72 ARG CA C 57.443 0.200 1 674 72 72 ARG CB C 31.566 0.200 1 675 72 72 ARG N N 123.536 0.200 1 676 73 73 THR H H 8.315 0.020 1 677 73 73 THR HA H 5.034 0.020 1 678 73 73 THR HB H 4.012 0.020 1 679 73 73 THR HG2 H 1.163 0.020 1 680 73 73 THR C C 174.562 0.200 1 681 73 73 THR CA C 59.927 0.200 1 682 73 73 THR CB C 71.718 0.200 1 683 73 73 THR CG2 C 22.046 0.200 1 684 73 73 THR N N 110.429 0.200 1 685 74 74 GLY H H 8.714 0.020 1 686 74 74 GLY HA2 H 3.338 0.020 2 687 74 74 GLY HA3 H 4.158 0.020 2 688 74 74 GLY C C 168.789 0.200 1 689 74 74 GLY CA C 45.159 0.200 1 690 74 74 GLY N N 107.731 0.200 1 691 75 75 PRO HG2 H 1.594 0.020 2 692 75 75 PRO HG3 H 1.786 0.020 2 693 75 75 PRO HD2 H 2.897 0.020 2 694 75 75 PRO HD3 H 3.359 0.020 2 695 75 75 PRO CG C 27.058 0.200 1 696 75 75 PRO CD C 48.865 0.200 1 697 76 76 CYS HA H 5.224 0.020 1 698 76 76 CYS HB3 H 2.708 0.020 1 699 76 76 CYS C C 173.535 0.200 1 700 76 76 CYS CA C 53.440 0.200 1 701 76 76 CYS CB C 38.697 0.200 1 702 77 77 PHE H H 9.050 0.020 1 703 77 77 PHE HA H 5.008 0.020 1 704 77 77 PHE HB2 H 2.694 0.020 2 705 77 77 PHE HB3 H 3.423 0.020 2 706 77 77 PHE HD1 H 7.069 0.020 3 707 77 77 PHE HD2 H 7.069 0.020 3 708 77 77 PHE HE1 H 7.263 0.020 3 709 77 77 PHE HE2 H 7.263 0.020 3 710 77 77 PHE HZ H 7.007 0.020 1 711 77 77 PHE C C 176.603 0.200 1 712 77 77 PHE CA C 58.044 0.200 1 713 77 77 PHE CB C 40.113 0.200 1 714 77 77 PHE N N 128.437 0.200 1 715 78 78 THR H H 9.287 0.020 1 716 78 78 THR HA H 4.534 0.020 1 717 78 78 THR HB H 4.618 0.020 1 718 78 78 THR HG2 H 1.280 0.020 1 719 78 78 THR C C 173.560 0.200 1 720 78 78 THR CA C 62.854 0.200 1 721 78 78 THR CB C 69.080 0.200 1 722 78 78 THR CG2 C 23.299 0.200 1 723 78 78 THR N N 116.661 0.200 1 724 79 79 VAL H H 7.704 0.020 1 725 79 79 VAL HA H 4.420 0.020 1 726 79 79 VAL HB H 1.996 0.020 1 727 79 79 VAL HG1 H 0.900 0.020 1 728 79 79 VAL HG2 H 0.900 0.020 1 729 79 79 VAL C C 173.770 0.200 1 730 79 79 VAL CA C 60.392 0.200 1 731 79 79 VAL CB C 35.878 0.200 1 732 79 79 VAL CG1 C 20.678 0.200 2 733 79 79 VAL CG2 C 20.789 0.200 2 734 79 79 VAL N N 117.704 0.200 1 735 80 80 ILE H H 8.481 0.020 1 736 80 80 ILE HA H 4.469 0.020 1 737 80 80 ILE HB H 1.779 0.020 1 738 80 80 ILE HG12 H 0.893 0.020 2 739 80 80 ILE HG13 H 1.324 0.020 2 740 80 80 ILE HG2 H 0.758 0.020 1 741 80 80 ILE HD1 H 0.786 0.020 1 742 80 80 ILE C C 175.869 0.200 1 743 80 80 ILE CA C 60.112 0.200 1 744 80 80 ILE CB C 39.166 0.200 1 745 80 80 ILE CG1 C 27.135 0.200 1 746 80 80 ILE CG2 C 18.214 0.200 1 747 80 80 ILE CD1 C 14.132 0.200 1 748 80 80 ILE N N 122.670 0.200 1 749 81 81 SER H H 8.755 0.020 1 750 81 81 SER HA H 4.755 0.020 1 751 81 81 SER CA C 58.347 0.200 1 752 81 81 SER N N 121.331 0.200 1 753 82 82 ASN H H 8.573 0.020 1 754 82 82 ASN HA H 4.899 0.020 1 755 82 82 ASN HB2 H 2.625 0.020 2 756 82 82 ASN HB3 H 2.898 0.020 2 757 82 82 ASN HD21 H 7.806 0.020 1 758 82 82 ASN HD22 H 6.799 0.020 1 759 82 82 ASN CB C 39.630 0.200 1 760 82 82 ASN N N 123.303 0.200 1 761 82 82 ASN ND2 N 113.325 0.200 1 762 83 83 GLN H H 7.289 0.020 1 763 83 83 GLN HA H 4.334 0.020 1 764 83 83 GLN HB2 H 1.680 0.020 1 765 83 83 GLN N N 117.716 0.200 1 766 85 85 CYS H H 8.534 0.020 1 767 85 85 CYS N N 123.478 0.200 1 768 86 86 GLN H H 8.042 0.020 1 769 86 86 GLN HA H 4.036 0.020 1 770 86 86 GLN HB2 H 1.961 0.020 2 771 86 86 GLN HB3 H 2.223 0.020 2 772 86 86 GLN HG2 H 2.316 0.020 2 773 86 86 GLN HG3 H 2.433 0.020 2 774 86 86 GLN HE21 H 6.899 0.020 1 775 86 86 GLN HE22 H 7.672 0.020 1 776 86 86 GLN C C 176.721 0.200 1 777 86 86 GLN CA C 58.530 0.200 1 778 86 86 GLN CB C 28.571 0.200 1 779 86 86 GLN CG C 33.820 0.200 1 780 86 86 GLN N N 120.569 0.200 1 781 86 86 GLN NE2 N 112.316 0.200 1 782 87 87 GLY H H 8.988 0.020 1 783 87 87 GLY HA2 H 3.649 0.020 2 784 87 87 GLY HA3 H 4.284 0.020 2 785 87 87 GLY C C 174.101 0.200 1 786 87 87 GLY CA C 45.166 0.200 1 787 87 87 GLY N N 114.904 0.200 1 788 89 89 LEU HA H 4.662 0.020 1 789 89 89 LEU HB2 H 1.489 0.020 2 790 89 89 LEU HB3 H 1.630 0.020 2 791 89 89 LEU HD1 H 0.866 0.020 2 792 89 89 LEU HD2 H 0.853 0.020 2 793 89 89 LEU CA C 53.237 0.200 1 794 89 89 LEU CB C 43.496 0.200 1 795 89 89 LEU CD2 C 23.521 0.200 1 796 90 90 SER HA H 4.575 0.020 1 797 90 90 SER HB2 H 3.265 0.020 2 798 90 90 SER HB3 H 3.679 0.020 2 799 90 90 SER C C 174.708 0.200 1 800 90 90 SER CA C 57.424 0.200 1 801 90 90 SER CB C 64.895 0.200 1 802 91 91 GLY H H 8.751 0.020 1 803 91 91 GLY HA2 H 3.814 0.020 2 804 91 91 GLY HA3 H 4.141 0.020 2 805 91 91 GLY C C 173.343 0.200 1 806 91 91 GLY CA C 45.253 0.200 1 807 91 91 GLY N N 113.365 0.200 1 808 92 92 ILE H H 8.015 0.020 1 809 92 92 ILE HA H 4.327 0.020 1 810 92 92 ILE HB H 1.752 0.020 1 811 92 92 ILE HG12 H 1.521 0.020 2 812 92 92 ILE HG13 H 0.892 0.020 2 813 92 92 ILE HG2 H 0.675 0.020 1 814 92 92 ILE HD1 H 0.694 0.020 1 815 92 92 ILE C C 174.615 0.200 1 816 92 92 ILE CA C 60.344 0.200 1 817 92 92 ILE CB C 39.360 0.200 1 818 92 92 ILE CG1 C 26.556 0.200 1 819 92 92 ILE CG2 C 17.937 0.200 1 820 92 92 ILE CD1 C 13.713 0.200 1 821 92 92 ILE N N 113.031 0.200 1 822 93 93 VAL H H 8.156 0.020 1 823 93 93 VAL HA H 4.531 0.020 1 824 93 93 VAL HB H 1.833 0.020 1 825 93 93 VAL HG1 H 0.719 0.020 2 826 93 93 VAL HG2 H 0.725 0.020 2 827 93 93 VAL C C 175.446 0.200 1 828 93 93 VAL CA C 60.844 0.200 1 829 93 93 VAL CB C 33.824 0.200 1 830 93 93 VAL CG1 C 20.504 0.200 2 831 93 93 VAL CG2 C 21.006 0.200 2 832 93 93 VAL N N 127.836 0.200 1 833 94 94 SER H H 8.934 0.020 1 834 94 94 SER HA H 5.050 0.020 1 835 94 94 SER HB2 H 4.166 0.020 2 836 94 94 SER HB3 H 3.496 0.020 2 837 94 94 SER C C 176.218 0.200 1 838 94 94 SER CA C 57.638 0.200 1 839 94 94 SER CB C 67.592 0.200 1 840 94 94 SER N N 117.952 0.200 1 841 95 95 THR H H 8.610 0.020 1 842 95 95 THR HA H 5.016 0.020 1 843 95 95 THR HB H 4.503 0.020 1 844 95 95 THR HG2 H 1.228 0.020 1 845 95 95 THR C C 175.767 0.200 1 846 95 95 THR CA C 60.901 0.200 1 847 95 95 THR CB C 70.544 0.200 1 848 95 95 THR CG2 C 21.767 0.200 1 849 95 95 THR N N 113.638 0.200 1 850 96 96 LYS H H 8.813 0.020 1 851 96 96 LYS HA H 1.982 0.020 1 852 96 96 LYS HB2 H 0.818 0.020 2 853 96 96 LYS HB3 H -0.899 0.020 2 854 96 96 LYS HG2 H 1.416 0.020 2 855 96 96 LYS HG3 H 1.284 0.020 2 856 96 96 LYS HD2 H 0.523 0.020 2 857 96 96 LYS HD3 H 0.824 0.020 2 858 96 96 LYS HE2 H 2.845 0.020 2 859 96 96 LYS HE3 H 2.622 0.020 2 860 96 96 LYS C C 178.452 0.200 1 861 96 96 LYS CA C 59.857 0.200 1 862 96 96 LYS CB C 30.787 0.200 1 863 96 96 LYS CG C 29.439 0.200 1 864 96 96 LYS CD C 25.633 0.200 1 865 96 96 LYS CE C 41.739 0.200 1 866 96 96 LYS N N 127.352 0.200 1 867 97 97 THR H H 8.040 0.020 1 868 97 97 THR HA H 3.621 0.020 1 869 97 97 THR HB H 3.823 0.020 1 870 97 97 THR HG2 H 1.109 0.020 1 871 97 97 THR C C 176.749 0.200 1 872 97 97 THR CA C 65.892 0.200 1 873 97 97 THR CB C 68.780 0.200 1 874 97 97 THR CG2 C 21.464 0.200 1 875 97 97 THR N N 112.770 0.200 1 876 98 98 LEU H H 7.179 0.020 1 877 98 98 LEU HA H 3.872 0.020 1 878 98 98 LEU HB2 H 1.709 0.020 2 879 98 98 LEU HB3 H 1.290 0.020 2 880 98 98 LEU HG H 1.474 0.020 1 881 98 98 LEU HD1 H 0.777 0.020 2 882 98 98 LEU HD2 H 0.876 0.020 2 883 98 98 LEU C C 178.751 0.200 1 884 98 98 LEU CA C 57.932 0.200 1 885 98 98 LEU CB C 41.689 0.200 1 886 98 98 LEU CG C 27.012 0.200 1 887 98 98 LEU CD1 C 24.415 0.200 2 888 98 98 LEU CD2 C 24.838 0.200 2 889 98 98 LEU N N 119.791 0.200 1 890 99 99 CYS H H 7.856 0.020 1 891 99 99 CYS HA H 4.167 0.020 1 892 99 99 CYS HB2 H 2.857 0.020 2 893 99 99 CYS HB3 H 3.342 0.020 2 894 99 99 CYS C C 177.350 0.200 1 895 99 99 CYS CA C 58.486 0.200 1 896 99 99 CYS CB C 38.286 0.200 1 897 99 99 CYS N N 116.913 0.200 1 898 100 100 CYS H H 8.658 0.020 1 899 100 100 CYS HA H 4.620 0.020 1 900 100 100 CYS HB2 H 3.248 0.020 2 901 100 100 CYS HB3 H 2.707 0.020 2 902 100 100 CYS C C 175.463 0.200 1 903 100 100 CYS CA C 53.559 0.200 1 904 100 100 CYS CB C 33.837 0.200 1 905 100 100 CYS N N 114.558 0.200 1 906 101 101 ALA H H 7.717 0.020 1 907 101 101 ALA HA H 4.408 0.020 1 908 101 101 ALA HB H 1.510 0.020 1 909 101 101 ALA C C 177.210 0.200 1 910 101 101 ALA CA C 53.485 0.200 1 911 101 101 ALA CB C 20.483 0.200 1 912 101 101 ALA N N 119.238 0.200 1 913 102 102 THR H H 7.308 0.020 1 914 102 102 THR HA H 4.799 0.020 1 915 102 102 THR HB H 4.272 0.020 1 916 102 102 THR HG2 H 1.115 0.020 1 917 102 102 THR C C 176.689 0.200 1 918 102 102 THR CA C 59.204 0.200 1 919 102 102 THR CB C 70.170 0.200 1 920 102 102 THR CG2 C 21.718 0.200 1 921 102 102 THR N N 105.833 0.200 1 922 103 103 VAL H H 9.229 0.020 1 923 103 103 VAL HA H 4.507 0.020 1 924 103 103 VAL HB H 2.534 0.020 1 925 103 103 VAL HG1 H 1.145 0.020 2 926 103 103 VAL HG2 H 0.747 0.020 2 927 103 103 VAL C C 176.984 0.200 1 928 103 103 VAL CA C 60.956 0.200 1 929 103 103 VAL CB C 33.053 0.200 1 930 103 103 VAL CG1 C 22.286 0.200 2 931 103 103 VAL CG2 C 17.945 0.200 2 932 103 103 VAL N N 115.353 0.200 1 933 104 104 GLY H H 8.569 0.020 1 934 104 104 GLY HA3 H 3.889 0.020 1 935 104 104 GLY C C 174.342 0.200 1 936 104 104 GLY CA C 46.598 0.200 1 937 104 104 GLY N N 108.029 0.200 1 938 105 105 ARG H H 9.507 0.020 1 939 105 105 ARG HA H 4.503 0.020 1 940 105 105 ARG HB2 H 1.408 0.020 2 941 105 105 ARG HB3 H 1.910 0.020 2 942 105 105 ARG HG2 H 1.688 0.020 1 943 105 105 ARG HD2 H 3.262 0.020 1 944 105 105 ARG C C 176.698 0.200 1 945 105 105 ARG CA C 55.796 0.200 1 946 105 105 ARG CB C 32.039 0.200 1 947 105 105 ARG CG C 28.993 0.200 1 948 105 105 ARG CD C 42.908 0.200 1 949 105 105 ARG N N 120.057 0.200 1 950 106 106 ALA H H 8.543 0.020 1 951 106 106 ALA HA H 5.264 0.020 1 952 106 106 ALA HB H 1.493 0.020 1 953 106 106 ALA C C 174.738 0.200 1 954 106 106 ALA CA C 52.314 0.200 1 955 106 106 ALA CB C 23.224 0.200 1 956 106 106 ALA N N 122.977 0.200 1 957 107 107 TRP H H 9.206 0.020 1 958 107 107 TRP HA H 5.611 0.020 1 959 107 107 TRP HB2 H 2.883 0.020 2 960 107 107 TRP HB3 H 3.330 0.020 2 961 107 107 TRP HD1 H 6.678 0.020 1 962 107 107 TRP HE1 H 9.517 0.020 1 963 107 107 TRP HE3 H 7.360 0.020 1 964 107 107 TRP HZ2 H 6.910 0.020 1 965 107 107 TRP HZ3 H 7.123 0.020 1 966 107 107 TRP HH2 H 6.865 0.020 1 967 107 107 TRP C C 175.851 0.200 1 968 107 107 TRP CA C 56.866 0.200 1 969 107 107 TRP CB C 34.256 0.200 1 970 107 107 TRP N N 121.318 0.200 1 971 107 107 TRP NE1 N 128.702 0.200 1 972 108 108 GLY H H 8.158 0.020 1 973 108 108 GLY HA2 H 2.212 0.020 2 974 108 108 GLY HA3 H 3.694 0.020 2 975 108 108 GLY C C 171.947 0.200 1 976 108 108 GLY CA C 44.193 0.200 1 977 108 108 GLY N N 113.804 0.200 1 978 109 109 HIS H H 7.638 0.020 1 979 109 109 HIS HA H 4.821 0.020 1 980 109 109 HIS HB2 H 3.086 0.020 2 981 109 109 HIS HB3 H 2.897 0.020 2 982 109 109 HIS HD2 H 7.274 0.020 1 983 109 109 HIS C C 172.850 0.200 1 984 109 109 HIS CA C 53.286 0.200 1 985 109 109 HIS CB C 31.506 0.200 1 986 109 109 HIS CD2 C 119.993 0.200 1 987 109 109 HIS N N 113.884 0.200 1 988 110 110 PRO HA H 4.669 0.020 1 989 110 110 PRO HB2 H 2.377 0.020 2 990 110 110 PRO HB3 H 2.045 0.020 2 991 110 110 PRO HG2 H 1.935 0.020 2 992 110 110 PRO HG3 H 1.838 0.020 2 993 110 110 PRO HD2 H 3.615 0.020 2 994 110 110 PRO HD3 H 3.402 0.020 2 995 110 110 PRO C C 175.867 0.200 1 996 110 110 PRO CA C 62.888 0.200 1 997 110 110 PRO CB C 34.261 0.200 1 998 110 110 PRO CG C 25.377 0.200 1 999 110 110 PRO CD C 50.221 0.200 1 1000 111 111 CYS H H 8.080 0.020 1 1001 111 111 CYS C C 173.799 0.200 1 1002 111 111 CYS CA C 56.102 0.200 1 1003 111 111 CYS CB C 41.724 0.200 1 1004 111 111 CYS N N 119.483 0.200 1 1005 112 112 GLU H H 9.565 0.020 1 1006 112 112 GLU HA H 4.649 0.020 1 1007 112 112 GLU HB2 H 2.185 0.020 2 1008 112 112 GLU HB3 H 2.194 0.020 2 1009 112 112 GLU HG2 H 2.498 0.020 2 1010 112 112 GLU HG3 H 2.525 0.020 2 1011 112 112 GLU C C 176.156 0.200 1 1012 112 112 GLU CA C 53.999 0.200 1 1013 112 112 GLU CB C 32.347 0.200 1 1014 112 112 GLU CG C 36.071 0.200 1 1015 112 112 GLU N N 124.403 0.200 1 1016 113 113 MET H H 8.988 0.020 1 1017 113 113 MET HA H 4.608 0.020 1 1018 113 113 MET HB2 H 2.060 0.020 1 1019 113 113 MET HG2 H 2.663 0.020 2 1020 113 113 MET HG3 H 2.876 0.020 2 1021 113 113 MET C C 177.878 0.200 1 1022 113 113 MET CA C 55.511 0.200 1 1023 113 113 MET CB C 32.491 0.200 1 1024 113 113 MET CG C 32.688 0.200 1 1025 113 113 MET N N 121.945 0.200 1 1026 114 114 CYS H H 8.358 0.020 1 1027 114 114 CYS C C 173.106 0.200 1 1028 114 114 CYS CA C 52.173 0.200 1 1029 114 114 CYS N N 123.221 0.200 1 1030 115 115 PRO HA H 4.467 0.020 1 1031 115 115 PRO HB2 H 1.748 0.020 2 1032 115 115 PRO HB3 H 2.373 0.020 2 1033 115 115 PRO HG3 H 2.050 0.020 1 1034 115 115 PRO HD2 H 3.522 0.020 1 1035 115 115 PRO C C 177.130 0.200 1 1036 115 115 PRO CA C 62.765 0.200 1 1037 115 115 PRO CB C 32.098 0.200 1 1038 115 115 PRO CG C 27.653 0.200 1 1039 115 115 PRO CD C 50.517 0.200 1 1040 116 116 ALA H H 8.950 0.020 1 1041 116 116 ALA HA H 4.104 0.020 1 1042 116 116 ALA HB H 1.535 0.020 1 1043 116 116 ALA C C 178.813 0.200 1 1044 116 116 ALA CA C 55.496 0.200 1 1045 116 116 ALA CB C 18.588 0.200 1 1046 116 116 ALA N N 127.447 0.200 1 1047 117 117 GLN H H 7.972 0.020 1 1048 117 117 GLN HA H 4.880 0.020 1 1049 117 117 GLN HB2 H 2.182 0.020 2 1050 117 117 GLN HB3 H 1.788 0.020 2 1051 117 117 GLN HG2 H 2.296 0.020 2 1052 117 117 GLN HG3 H 2.357 0.020 2 1053 117 117 GLN HE21 H 7.450 0.020 1 1054 117 117 GLN HE22 H 6.902 0.020 1 1055 117 117 GLN C C 173.632 0.200 1 1056 117 117 GLN CA C 52.291 0.200 1 1057 117 117 GLN CB C 29.972 0.200 1 1058 117 117 GLN CG C 32.801 0.200 1 1059 117 117 GLN N N 114.714 0.200 1 1060 117 117 GLN NE2 N 111.245 0.200 1 1061 118 118 PRO HA H 4.560 0.020 1 1062 118 118 PRO HB2 H 1.906 0.020 2 1063 118 118 PRO HB3 H 2.253 0.020 2 1064 118 118 PRO HD2 H 3.749 0.020 2 1065 118 118 PRO HD3 H 3.527 0.020 2 1066 118 118 PRO C C 174.797 0.200 1 1067 118 118 PRO CA C 62.015 0.200 1 1068 118 118 PRO CB C 30.476 0.200 1 1069 118 118 PRO CD C 50.649 0.200 1 1070 119 119 HIS H H 8.055 0.020 1 1071 119 119 HIS HA H 4.586 0.020 1 1072 119 119 HIS HB3 H 3.114 0.020 1 1073 119 119 HIS C C 173.447 0.200 1 1074 119 119 HIS CA C 54.745 0.200 1 1075 119 119 HIS CB C 30.332 0.200 1 1076 119 119 HIS N N 119.813 0.200 1 1077 120 120 PRO HA H 4.181 0.020 1 1078 120 120 PRO HB2 H 1.933 0.020 2 1079 120 120 PRO HB3 H 2.171 0.020 2 1080 120 120 PRO CA C 64.010 0.200 1 1081 121 121 CYS HA H 4.891 0.020 1 1082 121 121 CYS HB2 H 3.215 0.020 2 1083 121 121 CYS HB3 H 2.663 0.020 2 1084 121 121 CYS C C 173.512 0.200 1 1085 121 121 CYS CA C 52.891 0.200 1 1086 121 121 CYS CB C 40.833 0.200 1 1087 122 122 ARG H H 8.229 0.020 1 1088 122 122 ARG HA H 4.449 0.020 1 1089 122 122 ARG HB2 H 1.993 0.020 2 1090 122 122 ARG HB3 H 1.777 0.020 2 1091 122 122 ARG HD2 H 3.156 0.020 1 1092 122 122 ARG C C 175.261 0.200 1 1093 122 122 ARG CA C 55.397 0.200 1 1094 122 122 ARG CB C 31.429 0.200 1 1095 122 122 ARG N N 119.867 0.200 1 1096 123 123 ARG H H 8.515 0.020 1 1097 123 123 ARG HA H 4.137 0.020 1 1098 123 123 ARG HB2 H 1.994 0.020 2 1099 123 123 ARG HB3 H 1.940 0.020 2 1100 123 123 ARG C C 176.707 0.200 1 1101 123 123 ARG CA C 58.568 0.200 1 1102 123 123 ARG CB C 30.327 0.200 1 1103 123 123 ARG N N 118.084 0.200 1 1104 124 124 GLY H H 9.335 0.020 1 1105 124 124 GLY HA2 H 4.640 0.020 2 1106 124 124 GLY HA3 H 3.226 0.020 2 1107 124 124 GLY C C 173.860 0.200 1 1108 124 124 GLY CA C 44.499 0.200 1 1109 124 124 GLY N N 109.258 0.200 1 1110 125 125 PHE H H 8.430 0.020 1 1111 125 125 PHE HA H 5.282 0.020 1 1112 125 125 PHE HB2 H 3.261 0.020 2 1113 125 125 PHE HB3 H 2.581 0.020 2 1114 125 125 PHE HD1 H 6.945 0.020 3 1115 125 125 PHE HD2 H 6.945 0.020 3 1116 125 125 PHE HE1 H 7.299 0.020 3 1117 125 125 PHE HE2 H 7.299 0.020 3 1118 125 125 PHE HZ H 7.149 0.020 1 1119 125 125 PHE C C 173.336 0.200 1 1120 125 125 PHE CA C 56.273 0.200 1 1121 125 125 PHE CB C 42.932 0.200 1 1122 125 125 PHE CD1 C 132.211 0.200 3 1123 125 125 PHE CD2 C 132.211 0.200 3 1124 125 125 PHE CE1 C 132.783 0.200 3 1125 125 125 PHE CE2 C 132.783 0.200 3 1126 125 125 PHE CZ C 129.967 0.200 1 1127 125 125 PHE N N 119.025 0.200 1 1128 126 126 ILE H H 8.820 0.020 1 1129 126 126 ILE HA H 4.792 0.020 1 1130 126 126 ILE HB H 1.676 0.020 1 1131 126 126 ILE HG12 H 1.305 0.020 2 1132 126 126 ILE HG13 H 0.941 0.020 2 1133 126 126 ILE HG2 H 0.710 0.020 1 1134 126 126 ILE HD1 H 0.705 0.020 1 1135 126 126 ILE C C 174.329 0.200 1 1136 126 126 ILE CA C 57.985 0.200 1 1137 126 126 ILE CB C 41.828 0.200 1 1138 126 126 ILE CG1 C 26.266 0.200 1 1139 126 126 ILE CG2 C 17.730 0.200 1 1140 126 126 ILE CD1 C 13.730 0.200 1 1141 126 126 ILE N N 113.398 0.200 1 1142 127 127 PRO HA H 4.456 0.020 1 1143 127 127 PRO HB2 H 2.032 0.020 2 1144 127 127 PRO HB3 H 1.726 0.020 2 1145 127 127 PRO HG2 H 2.108 0.020 2 1146 127 127 PRO HG3 H 1.868 0.020 2 1147 127 127 PRO HD2 H 3.710 0.020 2 1148 127 127 PRO HD3 H 3.622 0.020 2 1149 127 127 PRO C C 174.008 0.200 1 1150 127 127 PRO CA C 62.734 0.200 1 1151 127 127 PRO CB C 31.517 0.200 1 1152 127 127 PRO CG C 27.660 0.200 1 1153 127 127 PRO CD C 51.083 0.200 1 1154 128 128 ASN H H 8.885 0.020 1 1155 128 128 ASN HA H 4.566 0.020 1 1156 128 128 ASN HB2 H 2.716 0.020 2 1157 128 128 ASN HB3 H 3.024 0.020 2 1158 128 128 ASN HD21 H 7.937 0.020 1 1159 128 128 ASN HD22 H 7.105 0.020 1 1160 128 128 ASN C C 177.696 0.200 1 1161 128 128 ASN CA C 53.849 0.200 1 1162 128 128 ASN CB C 40.014 0.200 1 1163 128 128 ASN N N 124.341 0.200 1 1164 128 128 ASN ND2 N 114.978 0.200 1 1165 129 129 ILE H H 8.719 0.020 1 1166 129 129 ILE HA H 3.943 0.020 1 1167 129 129 ILE HB H 1.943 0.020 1 1168 129 129 ILE HG12 H 1.302 0.020 2 1169 129 129 ILE HG13 H 1.450 0.020 2 1170 129 129 ILE HG2 H 0.960 0.020 1 1171 129 129 ILE HD1 H 0.899 0.020 1 1172 129 129 ILE C C 176.073 0.200 1 1173 129 129 ILE CA C 63.693 0.200 1 1174 129 129 ILE CB C 38.302 0.200 1 1175 129 129 ILE CG1 C 27.850 0.200 1 1176 129 129 ILE CG2 C 17.744 0.200 1 1177 129 129 ILE CD1 C 13.694 0.200 1 1178 129 129 ILE N N 126.105 0.200 1 1179 130 130 ARG H H 8.217 0.020 1 1180 130 130 ARG HA H 4.399 0.020 1 1181 130 130 ARG HB2 H 1.964 0.020 1 1182 130 130 ARG HB3 H 1.964 0.020 1 1183 130 130 ARG HG2 H 1.589 0.020 2 1184 130 130 ARG HG3 H 1.706 0.020 2 1185 130 130 ARG HD2 H 3.211 0.020 1 1186 130 130 ARG C C 178.265 0.200 1 1187 130 130 ARG CA C 57.988 0.200 1 1188 130 130 ARG CB C 31.109 0.200 1 1189 130 130 ARG CG C 27.560 0.200 1 1190 130 130 ARG CD C 43.784 0.200 1 1191 130 130 ARG N N 119.385 0.200 1 1192 131 131 THR H H 8.041 0.020 1 1193 131 131 THR HA H 4.397 0.020 1 1194 131 131 THR HB H 4.405 0.020 1 1195 131 131 THR HG2 H 1.139 0.020 1 1196 131 131 THR C C 176.678 0.200 1 1197 131 131 THR CA C 61.657 0.200 1 1198 131 131 THR CB C 70.880 0.200 1 1199 131 131 THR CG2 C 21.041 0.200 1 1200 131 131 THR N N 106.889 0.200 1 1201 132 132 GLY H H 8.358 0.020 1 1202 132 132 GLY HA2 H 3.679 0.020 2 1203 132 132 GLY HA3 H 4.221 0.020 2 1204 132 132 GLY C C 172.957 0.200 1 1205 132 132 GLY CA C 45.599 0.200 1 1206 132 132 GLY N N 111.549 0.200 1 1207 133 133 ALA H H 7.687 0.020 1 1208 133 133 ALA HA H 4.296 0.020 1 1209 133 133 ALA HB H 1.302 0.020 1 1210 133 133 ALA C C 177.854 0.200 1 1211 133 133 ALA CA C 51.791 0.200 1 1212 133 133 ALA CB C 19.681 0.200 1 1213 133 133 ALA N N 122.442 0.200 1 1214 134 134 CYS H H 8.765 0.020 1 1215 134 134 CYS HA H 4.535 0.020 1 1216 134 134 CYS HB2 H 2.557 0.020 2 1217 134 134 CYS HB3 H 2.743 0.020 2 1218 134 134 CYS C C 174.751 0.200 1 1219 134 134 CYS CA C 56.854 0.200 1 1220 134 134 CYS CB C 41.188 0.200 1 1221 134 134 CYS N N 120.648 0.200 1 1222 135 135 GLN H H 9.177 0.020 1 1223 135 135 GLN HA H 4.939 0.020 1 1224 135 135 GLN HB2 H 2.151 0.020 2 1225 135 135 GLN HB3 H 2.166 0.020 2 1226 135 135 GLN HG2 H 2.521 0.020 2 1227 135 135 GLN HG3 H 2.356 0.020 2 1228 135 135 GLN HE21 H 7.458 0.020 1 1229 135 135 GLN HE22 H 7.007 0.020 1 1230 135 135 GLN C C 174.446 0.200 1 1231 135 135 GLN CA C 54.308 0.200 1 1232 135 135 GLN CB C 32.435 0.200 1 1233 135 135 GLN CG C 33.633 0.200 1 1234 135 135 GLN N N 124.748 0.200 1 1235 135 135 GLN NE2 N 112.418 0.200 1 1236 136 136 ASP H H 9.023 0.020 1 1237 136 136 ASP HA H 3.996 0.020 1 1238 136 136 ASP HB2 H 2.489 0.020 2 1239 136 136 ASP HB3 H 2.303 0.020 2 1240 136 136 ASP C C 175.623 0.200 1 1241 136 136 ASP CA C 55.621 0.200 1 1242 136 136 ASP CB C 43.357 0.200 1 1243 136 136 ASP N N 123.495 0.200 1 1244 137 137 VAL H H 7.647 0.020 1 1245 137 137 VAL HA H 3.830 0.020 1 1246 137 137 VAL HB H 1.508 0.020 1 1247 137 137 VAL HG1 H 0.540 0.020 2 1248 137 137 VAL HG2 H 0.670 0.020 2 1249 137 137 VAL C C 173.651 0.200 1 1250 137 137 VAL CA C 60.966 0.200 1 1251 137 137 VAL CB C 33.535 0.200 1 1252 137 137 VAL CG1 C 20.478 0.200 2 1253 137 137 VAL CG2 C 22.408 0.200 2 1254 137 137 VAL N N 125.950 0.200 1 1255 138 138 ASP H H 8.914 0.020 1 1256 138 138 ASP HA H 4.906 0.020 1 1257 138 138 ASP HB2 H 2.327 0.020 2 1258 138 138 ASP HB3 H 2.985 0.020 2 1259 138 138 ASP C C 175.881 0.200 1 1260 138 138 ASP CA C 51.090 0.200 1 1261 138 138 ASP CB C 38.726 0.200 1 1262 138 138 ASP N N 128.376 0.200 1 1263 139 139 GLU H H 10.150 0.020 1 1264 139 139 GLU HA H 3.225 0.020 1 1265 139 139 GLU HB2 H 1.087 0.020 2 1266 139 139 GLU HB3 H 1.276 0.020 2 1267 139 139 GLU HG2 H 2.287 0.020 1 1268 139 139 GLU C C 175.996 0.200 1 1269 139 139 GLU CA C 63.140 0.200 1 1270 139 139 GLU CB C 28.329 0.200 1 1271 139 139 GLU CG C 38.663 0.200 1 1272 139 139 GLU N N 126.923 0.200 1 1273 140 140 CYS H H 7.197 0.020 1 1274 140 140 CYS HA H 4.173 0.020 1 1275 140 140 CYS HB2 H 3.180 0.020 2 1276 140 140 CYS HB3 H 3.160 0.020 2 1277 140 140 CYS C C 176.861 0.200 1 1278 140 140 CYS CA C 54.405 0.200 1 1279 140 140 CYS CB C 36.341 0.200 1 1280 140 140 CYS N N 110.365 0.200 1 1281 141 141 GLN H H 7.154 0.020 1 1282 141 141 GLN HA H 4.223 0.020 1 1283 141 141 GLN HB2 H 2.043 0.020 2 1284 141 141 GLN HB3 H 1.762 0.020 2 1285 141 141 GLN HG2 H 2.185 0.020 2 1286 141 141 GLN HG3 H 2.366 0.020 2 1287 141 141 GLN HE21 H 6.768 0.020 1 1288 141 141 GLN HE22 H 7.586 0.020 1 1289 141 141 GLN C C 177.222 0.200 1 1290 141 141 GLN CA C 56.544 0.200 1 1291 141 141 GLN CB C 30.140 0.200 1 1292 141 141 GLN CG C 34.138 0.200 1 1293 141 141 GLN N N 116.510 0.200 1 1294 141 141 GLN NE2 N 112.441 0.200 1 1295 142 142 ALA H H 8.485 0.020 1 1296 142 142 ALA HA H 4.164 0.020 1 1297 142 142 ALA HB H 1.267 0.020 1 1298 142 142 ALA C C 177.280 0.200 1 1299 142 142 ALA CA C 53.773 0.200 1 1300 142 142 ALA CB C 20.317 0.200 1 1301 142 142 ALA N N 119.876 0.200 1 1302 143 143 ILE H H 7.624 0.020 1 1303 143 143 ILE HA H 4.435 0.020 1 1304 143 143 ILE HB H 2.091 0.020 1 1305 143 143 ILE HG12 H 0.916 0.020 2 1306 143 143 ILE HG13 H 1.319 0.020 2 1307 143 143 ILE HG2 H 0.679 0.020 1 1308 143 143 ILE HD1 H 0.676 0.020 1 1309 143 143 ILE C C 172.198 0.200 1 1310 143 143 ILE CA C 57.796 0.200 1 1311 143 143 ILE CB C 37.120 0.200 1 1312 143 143 ILE CG1 C 26.889 0.200 1 1313 143 143 ILE CG2 C 18.418 0.200 1 1314 143 143 ILE CD1 C 13.272 0.200 1 1315 143 143 ILE N N 116.934 0.200 1 1316 144 144 PRO HA H 4.324 0.020 1 1317 144 144 PRO HB2 H 2.288 0.020 2 1318 144 144 PRO HB3 H 1.926 0.020 2 1319 144 144 PRO HG2 H 1.939 0.020 2 1320 144 144 PRO HG3 H 2.098 0.020 2 1321 144 144 PRO HD2 H 3.684 0.020 1 1322 144 144 PRO C C 177.322 0.200 1 1323 144 144 PRO CA C 64.023 0.200 1 1324 144 144 PRO CB C 31.799 0.200 1 1325 144 144 PRO CG C 27.781 0.200 1 1326 145 145 GLY H H 8.546 0.020 1 1327 145 145 GLY HA2 H 3.633 0.020 2 1328 145 145 GLY HA3 H 4.272 0.020 2 1329 145 145 GLY C C 174.705 0.200 1 1330 145 145 GLY CA C 45.160 0.200 1 1331 145 145 GLY N N 109.545 0.200 1 1332 146 146 LEU H H 7.385 0.020 1 1333 146 146 LEU HA H 4.159 0.020 1 1334 146 146 LEU HB2 H 1.494 0.020 2 1335 146 146 LEU HB3 H 1.441 0.020 2 1336 146 146 LEU HG H 1.532 0.020 1 1337 146 146 LEU HD1 H 0.304 0.020 2 1338 146 146 LEU HD2 H 0.418 0.020 2 1339 146 146 LEU C C 178.235 0.200 1 1340 146 146 LEU CA C 55.791 0.200 1 1341 146 146 LEU CB C 42.380 0.200 1 1342 146 146 LEU CG C 26.319 0.200 1 1343 146 146 LEU CD1 C 24.625 0.200 2 1344 146 146 LEU CD2 C 25.250 0.200 2 1345 146 146 LEU N N 120.477 0.200 1 1346 147 147 CYS H H 9.177 0.020 1 1347 150 150 GLY HA2 H 4.629 0.020 2 1348 150 150 GLY HA3 H 3.762 0.020 2 1349 150 150 GLY C C 172.442 0.200 1 1350 150 150 GLY CA C 45.015 0.200 1 1351 151 151 ASN H H 8.539 0.020 1 1352 151 151 ASN HA H 5.092 0.020 1 1353 151 151 ASN HB2 H 2.760 0.020 2 1354 151 151 ASN HB3 H 2.577 0.020 2 1355 151 151 ASN HD21 H 6.878 0.020 1 1356 151 151 ASN HD22 H 7.487 0.020 1 1357 151 151 ASN C C 172.636 0.200 1 1358 151 151 ASN CA C 52.154 0.200 1 1359 151 151 ASN CB C 41.033 0.200 1 1360 151 151 ASN N N 118.880 0.200 1 1361 151 151 ASN ND2 N 111.642 0.200 1 1362 152 152 CYS H H 8.989 0.020 1 1363 152 152 CYS HA H 5.357 0.020 1 1364 152 152 CYS HB2 H 3.236 0.020 2 1365 152 152 CYS HB3 H 2.513 0.020 2 1366 152 152 CYS C C 174.031 0.200 1 1367 152 152 CYS CA C 57.072 0.200 1 1368 152 152 CYS CB C 37.963 0.200 1 1369 152 152 CYS N N 127.036 0.200 1 1370 153 153 ILE H H 9.672 0.020 1 1371 153 153 ILE HA H 4.389 0.020 1 1372 153 153 ILE HB H 1.892 0.020 1 1373 153 153 ILE HG12 H 1.430 0.020 2 1374 153 153 ILE HG13 H 1.140 0.020 2 1375 153 153 ILE HG2 H 0.839 0.020 1 1376 153 153 ILE HD1 H 0.828 0.020 1 1377 153 153 ILE C C 174.985 0.200 1 1378 153 153 ILE CA C 60.384 0.200 1 1379 153 153 ILE CB C 40.854 0.200 1 1380 153 153 ILE CG1 C 27.549 0.200 1 1381 153 153 ILE CG2 C 17.630 0.200 1 1382 153 153 ILE CD1 C 13.653 0.200 1 1383 153 153 ILE N N 131.982 0.200 1 1384 154 154 ASN H H 9.293 0.020 1 1385 154 154 ASN HA H 4.947 0.020 1 1386 154 154 ASN HB2 H 2.650 0.020 2 1387 154 154 ASN HB3 H 2.987 0.020 2 1388 154 154 ASN HD22 H 8.085 0.020 1 1389 154 154 ASN C C 175.009 0.200 1 1390 154 154 ASN CA C 54.862 0.200 1 1391 154 154 ASN CB C 39.702 0.200 1 1392 154 154 ASN N N 126.994 0.200 1 1393 154 154 ASN ND2 N 121.417 0.200 1 1394 155 155 THR H H 7.828 0.020 1 1395 155 155 THR HA H 4.721 0.020 1 1396 155 155 THR HB H 4.241 0.020 1 1397 155 155 THR HG2 H 0.999 0.020 1 1398 155 155 THR C C 174.119 0.200 1 1399 155 155 THR CA C 59.503 0.200 1 1400 155 155 THR CB C 70.900 0.200 1 1401 155 155 THR CG2 C 21.811 0.200 1 1402 155 155 THR N N 116.839 0.200 1 1403 156 156 VAL H H 8.868 0.020 1 1404 156 156 VAL HA H 3.586 0.020 1 1405 156 156 VAL HB H 2.129 0.020 1 1406 156 156 VAL HG1 H 1.071 0.020 2 1407 156 156 VAL HG2 H 1.023 0.020 2 1408 156 156 VAL C C 176.470 0.200 1 1409 156 156 VAL CA C 64.916 0.200 1 1410 156 156 VAL CB C 29.811 0.200 1 1411 156 156 VAL CG1 C 22.532 0.200 2 1412 156 156 VAL CG2 C 21.653 0.200 2 1413 156 156 VAL N N 123.998 0.200 1 1414 157 157 GLY H H 9.101 0.020 1 1415 157 157 GLY HA2 H 4.232 0.020 2 1416 157 157 GLY HA3 H 2.920 0.020 2 1417 157 157 GLY C C 173.618 0.200 1 1418 157 157 GLY CA C 46.962 0.200 1 1419 157 157 GLY N N 121.299 0.200 1 1420 158 158 SER H H 6.645 0.020 1 1421 158 158 SER HA H 4.372 0.020 1 1422 158 158 SER HB2 H 3.402 0.020 2 1423 158 158 SER HB3 H 3.860 0.020 2 1424 158 158 SER C C 173.768 0.200 1 1425 158 158 SER CA C 55.930 0.200 1 1426 158 158 SER CB C 63.015 0.200 1 1427 158 158 SER N N 112.867 0.200 1 1428 159 159 PHE H H 9.154 0.020 1 1429 159 159 PHE HA H 5.074 0.020 1 1430 159 159 PHE HB2 H 3.739 0.020 2 1431 159 159 PHE HB3 H 2.996 0.020 2 1432 159 159 PHE HD1 H 6.904 0.020 3 1433 159 159 PHE HD2 H 6.904 0.020 3 1434 159 159 PHE HE1 H 7.210 0.020 3 1435 159 159 PHE HE2 H 7.210 0.020 3 1436 159 159 PHE HZ H 7.181 0.020 1 1437 159 159 PHE C C 172.591 0.200 1 1438 159 159 PHE CA C 57.262 0.200 1 1439 159 159 PHE CB C 39.774 0.200 1 1440 159 159 PHE CD1 C 132.618 0.200 3 1441 159 159 PHE CD2 C 132.618 0.200 3 1442 159 159 PHE N N 117.788 0.200 1 1443 160 160 GLU H H 9.784 0.020 1 1444 160 160 GLU HA H 4.491 0.020 1 1445 160 160 GLU HB2 H 1.850 0.020 2 1446 160 160 GLU HB3 H 1.969 0.020 2 1447 160 160 GLU HG2 H 2.094 0.020 2 1448 160 160 GLU HG3 H 2.094 0.020 2 1449 160 160 GLU C C 174.518 0.200 1 1450 160 160 GLU CA C 54.663 0.200 1 1451 160 160 GLU CB C 33.354 0.200 1 1452 160 160 GLU CG C 35.665 0.200 1 1453 160 160 GLU N N 120.457 0.200 1 1454 161 161 CYS H H 8.904 0.020 1 1455 161 161 CYS HA H 5.613 0.020 1 1456 161 161 CYS HB3 H 2.738 0.020 1 1457 161 161 CYS CA C 52.620 0.200 1 1458 161 161 CYS CB C 36.628 0.200 1 1459 161 161 CYS N N 120.584 0.200 1 1460 162 162 LYS HA H 4.704 0.020 1 1461 162 162 LYS HB2 H 1.672 0.020 2 1462 162 162 LYS HB3 H 1.829 0.020 2 1463 162 162 LYS HG2 H 1.489 0.020 2 1464 162 162 LYS HG3 H 1.355 0.020 2 1465 162 162 LYS HD3 H 1.681 0.020 1 1466 162 162 LYS HE2 H 2.996 0.020 1 1467 162 162 LYS C C 176.577 0.200 1 1468 162 162 LYS CA C 54.338 0.200 1 1469 162 162 LYS CB C 33.239 0.200 1 1470 162 162 LYS CG C 23.188 0.200 1 1471 162 162 LYS CD C 29.091 0.200 1 1472 162 162 LYS CE C 42.077 0.200 1 1473 163 163 CYS H H 9.129 0.020 1 1474 163 163 CYS HA H 5.185 0.020 1 1475 163 163 CYS HB2 H 2.578 0.020 2 1476 163 163 CYS HB3 H 2.763 0.020 2 1477 163 163 CYS C C 172.249 0.200 1 1478 163 163 CYS CA C 51.645 0.200 1 1479 163 163 CYS CB C 36.605 0.200 1 1480 163 163 CYS N N 125.309 0.200 1 1481 164 164 PRO HA H 4.482 0.020 1 1482 164 164 PRO HB2 H 2.366 0.020 2 1483 164 164 PRO HB3 H 1.736 0.020 2 1484 164 164 PRO HG2 H 1.724 0.020 2 1485 164 164 PRO HG3 H 2.010 0.020 2 1486 164 164 PRO HD2 H 3.932 0.020 2 1487 164 164 PRO HD3 H 3.223 0.020 2 1488 164 164 PRO C C 175.248 0.200 1 1489 164 164 PRO CA C 62.688 0.200 1 1490 164 164 PRO CB C 32.283 0.200 1 1491 164 164 PRO CG C 27.710 0.200 1 1492 164 164 PRO CD C 50.848 0.200 1 1493 165 165 ALA H H 8.446 0.020 1 1494 165 165 ALA HA H 4.173 0.020 1 1495 165 165 ALA HB H 1.395 0.020 1 1496 165 165 ALA C C 179.345 0.200 1 1497 165 165 ALA CA C 53.758 0.200 1 1498 165 165 ALA CB C 18.179 0.200 1 1499 165 165 ALA N N 122.700 0.200 1 1500 166 166 GLY H H 8.915 0.020 1 1501 166 166 GLY HA2 H 4.143 0.020 2 1502 166 166 GLY HA3 H 3.641 0.020 2 1503 166 166 GLY C C 173.853 0.200 1 1504 166 166 GLY CA C 45.168 0.200 1 1505 166 166 GLY N N 111.219 0.200 1 1506 167 167 HIS H H 8.250 0.020 1 1507 167 167 HIS HA H 4.933 0.020 1 1508 167 167 HIS HB2 H 2.889 0.020 2 1509 167 167 HIS HB3 H 3.084 0.020 2 1510 167 167 HIS HD1 H 7.023 0.020 1 1511 167 167 HIS HE1 H 7.023 0.020 1 1512 167 167 HIS C C 172.821 0.200 1 1513 167 167 HIS CA C 54.320 0.200 1 1514 167 167 HIS CB C 30.858 0.200 1 1515 167 167 HIS N N 118.261 0.200 1 1516 168 168 LYS H H 9.010 0.020 1 1517 168 168 LYS HA H 4.576 0.020 1 1518 168 168 LYS HB2 H 1.748 0.020 2 1519 168 168 LYS HB3 H 1.754 0.020 2 1520 168 168 LYS HG2 H 1.366 0.020 2 1521 168 168 LYS HG3 H 1.388 0.020 2 1522 168 168 LYS HD2 H 1.679 0.020 2 1523 168 168 LYS HD3 H 1.672 0.020 2 1524 168 168 LYS HE2 H 2.997 0.020 2 1525 168 168 LYS HE3 H 3.000 0.020 2 1526 168 168 LYS C C 175.368 0.200 1 1527 168 168 LYS CA C 55.232 0.200 1 1528 168 168 LYS CB C 35.804 0.200 1 1529 168 168 LYS CG C 24.364 0.200 1 1530 168 168 LYS CD C 29.082 0.200 1 1531 168 168 LYS CE C 41.974 0.200 1 1532 168 168 LYS N N 120.252 0.200 1 1533 169 169 LEU H H 8.716 0.020 1 1534 169 169 LEU HA H 4.203 0.020 1 1535 169 169 LEU HB2 H 1.818 0.020 2 1536 169 169 LEU HB3 H 1.397 0.020 2 1537 169 169 LEU HG H 1.155 0.020 1 1538 169 169 LEU HD1 H 0.873 0.020 2 1539 169 169 LEU HD2 H 0.623 0.020 2 1540 169 169 LEU C C 176.126 0.200 1 1541 169 169 LEU CA C 55.521 0.200 1 1542 169 169 LEU CB C 42.784 0.200 1 1543 169 169 LEU CG C 27.061 0.200 1 1544 169 169 LEU CD1 C 25.888 0.200 2 1545 169 169 LEU CD2 C 23.347 0.200 2 1546 169 169 LEU N N 126.573 0.200 1 1547 170 170 ASN H H 8.758 0.020 1 1548 170 170 ASN HA H 4.785 0.020 1 1549 170 170 ASN HB2 H 2.678 0.020 2 1550 170 170 ASN HB3 H 3.433 0.020 2 1551 170 170 ASN HD21 H 8.130 0.020 1 1552 170 170 ASN HD22 H 7.002 0.020 1 1553 170 170 ASN C C 176.297 0.200 1 1554 170 170 ASN CA C 52.684 0.200 1 1555 170 170 ASN CB C 38.491 0.200 1 1556 170 170 ASN N N 128.264 0.200 1 1557 170 170 ASN ND2 N 114.153 0.200 1 1558 171 171 GLU H H 9.242 0.020 1 1559 171 171 GLU HA H 3.924 0.020 1 1560 171 171 GLU HB2 H 2.005 0.020 2 1561 171 171 GLU HB3 H 2.144 0.020 2 1562 171 171 GLU HG2 H 2.296 0.020 2 1563 171 171 GLU HG3 H 2.287 0.020 2 1564 171 171 GLU C C 177.550 0.200 1 1565 171 171 GLU CA C 58.861 0.200 1 1566 171 171 GLU CB C 29.555 0.200 1 1567 171 171 GLU CG C 36.418 0.200 1 1568 171 171 GLU N N 126.322 0.200 1 1569 172 172 VAL H H 8.282 0.020 1 1570 172 172 VAL HA H 3.895 0.020 1 1571 172 172 VAL HB H 2.269 0.020 1 1572 172 172 VAL HG1 H 1.038 0.020 2 1573 172 172 VAL HG2 H 0.960 0.020 2 1574 172 172 VAL C C 177.403 0.200 1 1575 172 172 VAL CA C 65.316 0.200 1 1576 172 172 VAL CB C 31.969 0.200 1 1577 172 172 VAL CG1 C 22.236 0.200 2 1578 172 172 VAL CG2 C 20.894 0.200 2 1579 172 172 VAL N N 119.554 0.200 1 1580 173 173 SER H H 7.618 0.020 1 1581 173 173 SER HA H 4.405 0.020 1 1582 173 173 SER HB2 H 3.928 0.020 2 1583 173 173 SER HB3 H 3.801 0.020 2 1584 173 173 SER C C 175.073 0.200 1 1585 173 173 SER CA C 57.986 0.200 1 1586 173 173 SER CB C 64.719 0.200 1 1587 173 173 SER N N 112.104 0.200 1 1588 174 174 GLN H H 8.647 0.020 1 1589 174 174 GLN HA H 3.588 0.020 1 1590 174 174 GLN HB2 H 2.246 0.020 2 1591 174 174 GLN HB3 H 2.824 0.020 2 1592 174 174 GLN C C 173.215 0.200 1 1593 174 174 GLN CA C 57.141 0.200 1 1594 174 174 GLN CB C 25.393 0.200 1 1595 174 174 GLN N N 115.797 0.200 1 1596 175 175 LYS H H 7.495 0.020 1 1597 175 175 LYS HA H 4.762 0.020 1 1598 175 175 LYS HB2 H 1.662 0.020 2 1599 175 175 LYS HB3 H 1.796 0.020 2 1600 175 175 LYS HG2 H 1.324 0.020 2 1601 175 175 LYS HG3 H 1.432 0.020 2 1602 175 175 LYS HE2 H 2.992 0.020 1 1603 175 175 LYS C C 176.344 0.200 1 1604 175 175 LYS CA C 54.821 0.200 1 1605 175 175 LYS CB C 35.848 0.200 1 1606 175 175 LYS CG C 25.191 0.200 1 1607 175 175 LYS CE C 41.863 0.200 1 1608 175 175 LYS N N 114.876 0.200 1 1609 176 176 CYS H H 8.575 0.020 1 1610 176 176 CYS HA H 4.741 0.020 1 1611 176 176 CYS HB2 H 2.849 0.020 2 1612 176 176 CYS HB3 H 2.569 0.020 2 1613 176 176 CYS C C 174.013 0.200 1 1614 176 176 CYS CA C 55.306 0.200 1 1615 176 176 CYS CB C 39.428 0.200 1 1616 176 176 CYS N N 121.021 0.200 1 1617 177 177 GLU H H 8.883 0.020 1 1618 177 177 GLU HA H 4.372 0.020 1 1619 177 177 GLU HB2 H 2.050 0.020 2 1620 177 177 GLU HB3 H 2.002 0.020 2 1621 177 177 GLU HG2 H 2.169 0.020 2 1622 177 177 GLU HG3 H 2.297 0.020 2 1623 177 177 GLU C C 181.289 0.200 1 1624 177 177 GLU CA C 58.079 0.200 1 1625 177 177 GLU CB C 32.147 0.200 1 1626 177 177 GLU CG C 36.810 0.200 1 1627 177 177 GLU N N 130.305 0.200 1 stop_ save_