data_16606 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SOLUTION STRUCTURE OF THE KI O18/O8 Y87H IMMUNOGLOBULIN LIGHT CHAIN VARIABLE DOMAIN ; _BMRB_accession_number 16606 _BMRB_flat_file_name bmr16606.str _Entry_type original _Submission_date 2009-11-11 _Accession_date 2009-11-11 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Volkman B. F. . 2 Peterson F. C. . 3 Ramirez-Alvarado M. . . 4 Baden E. M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1270 "13C chemical shifts" 904 "15N chemical shifts" 228 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-13 original author . stop_ _Original_release_date 2010-05-13 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title TBD _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Baden E. M. . 2 Peterson F. C. . 3 Owen B. A.L. . 4 Volkman B. F. . 5 Ramirez-Alvarado M. . . stop_ _Journal_abbreviation 'To be published' _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 . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'kI O18/O8 Y87H' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'kI O18/O8 Y87H_1' $entity 'kI O18/O8 Y87H_2' $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'kI O18/O8 Y87H' _Molecular_mass 12103.389 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 110 _Mol_residue_sequence ; STDIQMTQSPSSLSASVGDR VTITCQASQDISNYLNWYQQ KPGKAPKLLIYDASNLETGV PSRFSGSGSGTDFTFTISSL QPEDIATYHCQQYDNLPYTF GQGTKLEIKR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 SER 2 0 THR 3 1 ASP 4 2 ILE 5 3 GLN 6 4 MET 7 5 THR 8 6 GLN 9 7 SER 10 8 PRO 11 9 SER 12 10 SER 13 11 LEU 14 12 SER 15 13 ALA 16 14 SER 17 15 VAL 18 16 GLY 19 17 ASP 20 18 ARG 21 19 VAL 22 20 THR 23 21 ILE 24 22 THR 25 23 CYS 26 24 GLN 27 25 ALA 28 26 SER 29 27 GLN 30 28 ASP 31 29 ILE 32 30 SER 33 31 ASN 34 32 TYR 35 33 LEU 36 34 ASN 37 35 TRP 38 36 TYR 39 37 GLN 40 38 GLN 41 39 LYS 42 40 PRO 43 41 GLY 44 42 LYS 45 43 ALA 46 44 PRO 47 45 LYS 48 46 LEU 49 47 LEU 50 48 ILE 51 49 TYR 52 50 ASP 53 51 ALA 54 52 SER 55 53 ASN 56 54 LEU 57 55 GLU 58 56 THR 59 57 GLY 60 58 VAL 61 59 PRO 62 60 SER 63 61 ARG 64 62 PHE 65 63 SER 66 64 GLY 67 65 SER 68 66 GLY 69 67 SER 70 68 GLY 71 69 THR 72 70 ASP 73 71 PHE 74 72 THR 75 73 PHE 76 74 THR 77 75 ILE 78 76 SER 79 77 SER 80 78 LEU 81 79 GLN 82 80 PRO 83 81 GLU 84 82 ASP 85 83 ILE 86 84 ALA 87 85 THR 88 86 TYR 89 87 HIS 90 88 CYS 91 89 GLN 92 90 GLN 93 91 TYR 94 92 ASP 95 93 ASN 96 94 LEU 97 95 PRO 98 96 TYR 99 97 THR 100 98 PHE 101 99 GLY 102 100 GLN 103 101 GLY 104 102 THR 105 103 LYS 106 104 LEU 107 105 GLU 108 106 ILE 109 107 LYS 110 108 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 PDB 2KQM "Solution Structure Of The Ki O18O8 Y87H IMMUNOGLOBULIN LIGH Variable Domain" 100.00 110 100.00 100.00 4.46e-74 PDB 2Q20 "Structure Of The Germline Vk1 O18O8 LIGHT CHAIN VARIABLE Domain Homodimer" 99.09 109 99.08 100.00 4.98e-72 PDB 3CDC "Ki O18O8 N34IY87H IMMUNOGLOBULIN LIGHT CHAIN VARIABLE Domain" 99.09 109 99.08 99.08 1.17e-71 PDB 3CDF "Ki O18O8 Y87H IMMUNOGLOBULIN LIGHT CHAIN VARIABLE DOMAIN" 99.09 109 100.00 100.00 4.14e-73 EMBL CAC01163 "immunoglobulin kappa chain variable region [Homo sapiens]" 74.55 82 97.56 98.78 2.57e-51 EMBL CAC01176 "immunoglobulin kappa chain variable region [Homo sapiens]" 74.55 82 98.78 100.00 2.32e-52 EMBL CAC01184 "immunoglobulin kappa chain variable region [Homo sapiens]" 70.91 79 98.72 100.00 6.84e-49 EMBL CAC10844 "immunoglobulin kappa chain variable region [Homo sapiens]" 74.55 82 98.78 100.00 2.32e-52 EMBL CAC10892 "immunoglobulin kappa chain variable region [Homo sapiens]" 74.55 82 97.56 100.00 6.73e-52 GB AAA58925 "immunoglobulin kappa-chain VK-1, partial [Homo sapiens]" 86.36 117 98.95 100.00 4.81e-61 GB AAA58926 "immunoglobulin kappa-chain VK-1, partial [Homo sapiens]" 86.36 117 98.95 100.00 5.48e-61 GB AAA58927 "immunoglobulin kappa-chain VK-1, partial [Homo sapiens]" 86.36 117 98.95 100.00 4.81e-61 GB AAB30971 "immunoglobulin kappa chain variable region, partial [Homo sapiens]" 79.09 87 98.85 100.00 4.11e-55 GB AAD16566 "immunoglobulin kappa light chain variable region [Homo sapiens]" 90.91 104 97.00 98.00 2.41e-62 PIR I52592 "Ig kappa chain V region - human (fragment)" 79.09 87 98.85 100.00 4.11e-55 PIR PH0862 "Ig kappa chain V region (anti-DNA, III-3R) - human (fragment)" 86.36 95 97.89 98.95 2.27e-60 PIR S34088 "Ig kappa chain V region - human" 78.18 88 98.84 100.00 2.10e-54 PIR S42263 "Ig kappa chain V region (08) - human" 86.36 117 98.95 100.00 4.81e-61 PIR S43528 "Ig kappa chain V region (018) - human" 86.36 117 98.95 100.00 5.48e-61 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 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 $entity 'recombinant technology' . Escherichia coli 'BL21 Gold(DE3)' pET-12a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.8 mM kI O18/O8 Y87H U-15N/13C, 10 mM MES' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.8 mM '[U-100% 13C; U-100% 15N]' MES 10 mM [U-2H] 'sodium azide' 0.02 % 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Xplor-NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.9.3 loop_ _Vendor _Address _Electronic_address SCHWIETERS,C.D.,KUSZEWSKI,J.J.,TJANDRA,N.,CLORE,G.M. . . stop_ loop_ _Task refinement stop_ _Details . save_ save_TopSpin _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_nmrPipe _Saveframe_category software _Name NMRPipe _Version 2007 loop_ _Vendor _Address _Electronic_address 'Delagio,F. et al.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Eccles, C., Guntert, P., Billeter, M., Wuthrich, K.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_GARANT _Saveframe_category software _Name GARANT _Version 2.1 loop_ _Vendor _Address _Electronic_address 'C. Bartels' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Cyana _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structural calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance II' _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_15N-separated_NOESY _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_13C-separated_NOESY _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_(AROMATIC)_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D_13C-separated_NOESY (AROMATIC)' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 8 . mM pH 6.8 . 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 3D_15N-separated_NOESY 3D_13C-separated_NOESY '3D_13C-separated_NOESY (AROMATIC)' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'kI O18/O8 Y87H_1' _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 3 ASP H H 8.264 0.02 1 2 1 3 ASP HA H 4.584 0.02 1 3 1 3 ASP HB2 H 2.558 0.02 2 4 1 3 ASP HB3 H 2.475 0.02 2 5 1 3 ASP C C 176.028 0.1 1 6 1 3 ASP CA C 54.237 0.1 1 7 1 3 ASP CB C 41.107 0.1 1 8 1 3 ASP N N 124.201 0.1 1 9 2 4 ILE H H 8.722 0.02 1 10 2 4 ILE HA H 3.651 0.02 1 11 2 4 ILE HB H 1.698 0.02 1 12 2 4 ILE HD1 H 0.721 0.02 1 13 2 4 ILE HG12 H 0.700 0.02 2 14 2 4 ILE HG13 H 1.542 0.02 2 15 2 4 ILE HG2 H 0.790 0.02 1 16 2 4 ILE C C 176.080 0.1 1 17 2 4 ILE CA C 62.714 0.1 1 18 2 4 ILE CB C 38.024 0.1 1 19 2 4 ILE CD1 C 13.999 0.1 1 20 2 4 ILE CG1 C 28.429 0.1 1 21 2 4 ILE CG2 C 18.248 0.1 1 22 2 4 ILE N N 124.288 0.1 1 23 3 5 GLN H H 8.658 0.02 1 24 3 5 GLN HA H 4.475 0.02 1 25 3 5 GLN HB2 H 2.035 0.02 2 26 3 5 GLN HB3 H 1.952 0.02 2 27 3 5 GLN HE21 H 7.519 0.02 2 28 3 5 GLN HE22 H 6.848 0.02 2 29 3 5 GLN HG2 H 2.324 0.02 2 30 3 5 GLN HG3 H 2.324 0.02 2 31 3 5 GLN C C 175.475 0.1 1 32 3 5 GLN CA C 55.045 0.1 1 33 3 5 GLN CB C 30.714 0.1 1 34 3 5 GLN CG C 34.083 0.1 1 35 3 5 GLN N N 129.550 0.1 1 36 3 5 GLN NE2 N 113.000 0.1 1 37 4 6 MET H H 9.059 0.02 1 38 4 6 MET HA H 5.517 0.02 1 39 4 6 MET HB2 H 2.281 0.02 2 40 4 6 MET HB3 H 1.551 0.02 2 41 4 6 MET HE H 1.569 0.02 1 42 4 6 MET HG2 H 2.251 0.02 2 43 4 6 MET HG3 H 1.810 0.02 2 44 4 6 MET C C 176.486 0.1 1 45 4 6 MET CA C 51.903 0.1 1 46 4 6 MET CB C 30.771 0.1 1 47 4 6 MET CE C 16.618 0.1 1 48 4 6 MET CG C 30.836 0.1 1 49 4 6 MET N N 124.558 0.1 1 50 5 7 THR H H 9.536 0.02 1 51 5 7 THR HA H 4.672 0.02 1 52 5 7 THR HB H 4.126 0.02 1 53 5 7 THR HG2 H 1.219 0.02 1 54 5 7 THR C C 173.913 0.1 1 55 5 7 THR CA C 62.614 0.1 1 56 5 7 THR CB C 70.411 0.1 1 57 5 7 THR CG2 C 21.575 0.1 1 58 5 7 THR N N 120.530 0.1 1 59 6 8 GLN H H 9.563 0.02 1 60 6 8 GLN HA H 5.554 0.02 1 61 6 8 GLN HB2 H 2.091 0.02 2 62 6 8 GLN HB3 H 2.211 0.02 2 63 6 8 GLN HE21 H 7.740 0.02 2 64 6 8 GLN HE22 H 7.225 0.02 2 65 6 8 GLN HG2 H 2.754 0.02 2 66 6 8 GLN HG3 H 2.247 0.02 2 67 6 8 GLN C C 175.143 0.1 1 68 6 8 GLN CA C 54.732 0.1 1 69 6 8 GLN CB C 31.352 0.1 1 70 6 8 GLN CG C 34.617 0.1 1 71 6 8 GLN N N 132.232 0.1 1 72 7 9 SER H H 8.905 0.02 1 73 7 9 SER HA H 4.784 0.02 1 74 7 9 SER HB2 H 3.745 0.02 2 75 7 9 SER HB3 H 3.699 0.02 2 76 7 9 SER C C 171.384 0.1 1 77 7 9 SER CA C 56.000 0.1 1 78 7 9 SER CB C 65.497 0.1 1 79 7 9 SER N N 120.738 0.1 1 80 8 10 PRO HA H 5.165 0.02 1 81 8 10 PRO HB2 H 2.490 0.02 2 82 8 10 PRO HB3 H 2.615 0.02 2 83 8 10 PRO HD2 H 3.730 0.02 2 84 8 10 PRO HD3 H 3.785 0.02 2 85 8 10 PRO HG2 H 1.632 0.02 2 86 8 10 PRO HG3 H 2.198 0.02 2 87 8 10 PRO C C 176.138 0.1 1 88 8 10 PRO CA C 63.237 0.1 1 89 8 10 PRO CB C 35.110 0.1 1 90 8 10 PRO CD C 49.312 0.1 1 91 8 10 PRO CG C 25.679 0.1 1 92 9 11 SER H H 9.164 0.02 1 93 9 11 SER HA H 4.859 0.02 1 94 9 11 SER HB2 H 4.061 0.02 2 95 9 11 SER HB3 H 4.061 0.02 2 96 9 11 SER C C 175.807 0.1 1 97 9 11 SER CA C 61.074 0.1 1 98 9 11 SER CB C 63.411 0.1 1 99 9 11 SER N N 115.768 0.1 1 100 10 12 SER H H 7.777 0.02 1 101 10 12 SER HA H 5.303 0.02 1 102 10 12 SER HB2 H 3.905 0.02 2 103 10 12 SER HB3 H 3.905 0.02 2 104 10 12 SER C C 172.016 0.1 1 105 10 12 SER CA C 57.541 0.1 1 106 10 12 SER CB C 65.363 0.1 1 107 10 12 SER N N 115.659 0.1 1 108 11 13 LEU H H 8.702 0.02 1 109 11 13 LEU HA H 4.649 0.02 1 110 11 13 LEU HB2 H 1.628 0.02 2 111 11 13 LEU HB3 H 1.521 0.02 2 112 11 13 LEU HD1 H 0.952 0.02 2 113 11 13 LEU HD2 H 0.919 0.02 2 114 11 13 LEU HG H 1.551 0.02 1 115 11 13 LEU C C 174.243 0.1 1 116 11 13 LEU CA C 55.476 0.1 1 117 11 13 LEU CB C 46.728 0.1 1 118 11 13 LEU CD1 C 25.682 0.1 1 119 11 13 LEU CD2 C 25.975 0.1 1 120 11 13 LEU CG C 27.600 0.1 1 121 11 13 LEU N N 124.521 0.1 1 122 12 14 SER H H 8.517 0.02 1 123 12 14 SER HA H 5.401 0.02 1 124 12 14 SER HB2 H 3.647 0.02 2 125 12 14 SER HB3 H 3.647 0.02 2 126 12 14 SER C C 173.472 0.1 1 127 12 14 SER CA C 56.434 0.1 1 128 12 14 SER CB C 64.318 0.1 1 129 12 14 SER N N 119.919 0.1 1 130 13 15 ALA H H 8.592 0.02 1 131 13 15 ALA HA H 4.728 0.02 1 132 13 15 ALA HB H 1.345 0.02 1 133 13 15 ALA C C 175.112 0.1 1 134 13 15 ALA CA C 51.120 0.1 1 135 13 15 ALA CB C 23.142 0.1 1 136 13 15 ALA N N 128.057 0.1 1 137 14 16 SER H H 8.635 0.02 1 138 14 16 SER HA H 4.871 0.02 1 139 14 16 SER HB2 H 3.865 0.02 2 140 14 16 SER HB3 H 3.633 0.02 2 141 14 16 SER C C 173.754 0.1 1 142 14 16 SER CA C 57.975 0.1 1 143 14 16 SER CB C 64.685 0.1 1 144 14 16 SER N N 116.893 0.1 1 145 15 17 VAL H H 8.570 0.02 1 146 15 17 VAL HA H 3.479 0.02 1 147 15 17 VAL HB H 1.903 0.02 1 148 15 17 VAL HG1 H 0.980 0.02 2 149 15 17 VAL HG2 H 1.014 0.02 2 150 15 17 VAL C C 178.065 0.1 1 151 15 17 VAL CA C 65.386 0.1 1 152 15 17 VAL CB C 31.533 0.1 1 153 15 17 VAL CG1 C 23.419 0.1 1 154 15 17 VAL CG2 C 21.139 0.1 1 155 15 17 VAL N N 123.112 0.1 1 156 16 18 GLY H H 10.019 0.02 1 157 16 18 GLY HA2 H 4.324 0.02 2 158 16 18 GLY HA3 H 3.718 0.02 2 159 16 18 GLY C C 174.843 0.1 1 160 16 18 GLY CA C 44.654 0.1 1 161 16 18 GLY N N 118.071 0.1 1 162 17 19 ASP H H 8.066 0.02 1 163 17 19 ASP HA H 4.568 0.02 1 164 17 19 ASP HB2 H 2.861 0.02 2 165 17 19 ASP HB3 H 2.536 0.02 2 166 17 19 ASP C C 175.270 0.1 1 167 17 19 ASP CA C 55.159 0.1 1 168 17 19 ASP CB C 41.735 0.1 1 169 17 19 ASP N N 122.250 0.1 1 170 18 20 ARG H H 8.232 0.02 1 171 18 20 ARG HA H 4.856 0.02 1 172 18 20 ARG HB2 H 1.729 0.02 2 173 18 20 ARG HB3 H 1.645 0.02 2 174 18 20 ARG HD2 H 3.075 0.02 2 175 18 20 ARG HD3 H 3.075 0.02 2 176 18 20 ARG HG2 H 1.234 0.02 2 177 18 20 ARG HG3 H 1.447 0.02 2 178 18 20 ARG C C 176.839 0.1 1 179 18 20 ARG CA C 55.084 0.1 1 180 18 20 ARG CB C 31.374 0.1 1 181 18 20 ARG CD C 43.647 0.1 1 182 18 20 ARG CG C 27.978 0.1 1 183 18 20 ARG N N 120.872 0.1 1 184 19 21 VAL H H 8.631 0.02 1 185 19 21 VAL HA H 4.438 0.02 1 186 19 21 VAL HB H 1.777 0.02 1 187 19 21 VAL HG1 H 0.784 0.02 2 188 19 21 VAL HG2 H 0.769 0.02 2 189 19 21 VAL C C 173.864 0.1 1 190 19 21 VAL CA C 60.749 0.1 1 191 19 21 VAL CB C 35.796 0.1 1 192 19 21 VAL CG1 C 21.076 0.1 1 193 19 21 VAL CG2 C 21.622 0.1 1 194 19 21 VAL N N 125.438 0.1 1 195 20 22 THR H H 8.143 0.02 1 196 20 22 THR HA H 5.149 0.02 1 197 20 22 THR HB H 3.726 0.02 1 198 20 22 THR HG2 H 1.033 0.02 1 199 20 22 THR C C 173.102 0.1 1 200 20 22 THR CA C 61.665 0.1 1 201 20 22 THR CB C 71.837 0.1 1 202 20 22 THR CG2 C 21.995 0.1 1 203 20 22 THR N N 119.745 0.1 1 204 21 23 ILE H H 9.453 0.02 1 205 21 23 ILE HA H 4.603 0.02 1 206 21 23 ILE HB H 1.695 0.02 1 207 21 23 ILE HD1 H 0.613 0.02 1 208 21 23 ILE HG12 H 1.517 0.02 2 209 21 23 ILE HG13 H 1.001 0.02 2 210 21 23 ILE HG2 H 1.233 0.02 1 211 21 23 ILE C C 174.448 0.1 1 212 21 23 ILE CA C 60.865 0.1 1 213 21 23 ILE CB C 42.095 0.1 1 214 21 23 ILE CD1 C 13.705 0.1 1 215 21 23 ILE CG1 C 28.181 0.1 1 216 21 23 ILE CG2 C 18.756 0.1 1 217 21 23 ILE N N 127.194 0.1 1 218 22 24 THR H H 9.150 0.02 1 219 22 24 THR HA H 5.703 0.02 1 220 22 24 THR HB H 4.322 0.02 1 221 22 24 THR HG2 H 1.231 0.02 1 222 22 24 THR C C 175.064 0.1 1 223 22 24 THR CA C 60.886 0.1 1 224 22 24 THR CB C 72.285 0.1 1 225 22 24 THR CG2 C 21.631 0.1 1 226 22 24 THR N N 116.658 0.1 1 227 23 25 CYS H H 9.301 0.02 1 228 23 25 CYS HA H 5.396 0.02 1 229 23 25 CYS HB2 H 3.051 0.02 2 230 23 25 CYS HB3 H 2.740 0.02 2 231 23 25 CYS C C 172.253 0.1 1 232 23 25 CYS CA C 56.310 0.1 1 233 23 25 CYS CB C 49.592 0.1 1 234 23 25 CYS N N 121.068 0.1 1 235 24 26 GLN H H 9.033 0.02 1 236 24 26 GLN HA H 5.870 0.02 1 237 24 26 GLN HB2 H 2.112 0.02 2 238 24 26 GLN HB3 H 1.974 0.02 2 239 24 26 GLN HE21 H 8.102 0.02 2 240 24 26 GLN HE22 H 6.705 0.02 2 241 24 26 GLN HG2 H 2.470 0.02 2 242 24 26 GLN HG3 H 2.335 0.02 2 243 24 26 GLN C C 175.023 0.1 1 244 24 26 GLN CA C 53.907 0.1 1 245 24 26 GLN CB C 33.152 0.1 1 246 24 26 GLN CG C 34.869 0.1 1 247 24 26 GLN N N 123.993 0.1 1 248 24 26 GLN NE2 N 113.512 0.1 1 249 25 27 ALA H H 9.452 0.02 1 250 25 27 ALA HA H 5.500 0.02 1 251 25 27 ALA HB H 1.577 0.02 1 252 25 27 ALA C C 178.588 0.1 1 253 25 27 ALA CA C 50.672 0.1 1 254 25 27 ALA CB C 24.050 0.1 1 255 25 27 ALA N N 129.626 0.1 1 256 26 28 SER H H 8.167 0.02 1 257 26 28 SER HA H 4.175 0.02 1 258 26 28 SER HB2 H 4.320 0.02 2 259 26 28 SER HB3 H 4.014 0.02 2 260 26 28 SER C C 173.469 0.1 1 261 26 28 SER CA C 60.644 0.1 1 262 26 28 SER CB C 63.174 0.1 1 263 26 28 SER N N 113.920 0.1 1 264 27 29 GLN H H 7.408 0.02 1 265 27 29 GLN HA H 4.472 0.02 1 266 27 29 GLN HB2 H 2.135 0.02 2 267 27 29 GLN HB3 H 2.050 0.02 2 268 27 29 GLN HE21 H 7.916 0.02 2 269 27 29 GLN HE22 H 6.813 0.02 2 270 27 29 GLN HG2 H 1.840 0.02 2 271 27 29 GLN HG3 H 2.047 0.02 2 272 27 29 GLN C C 172.253 0.1 1 273 27 29 GLN CA C 53.810 0.1 1 274 27 29 GLN CB C 32.937 0.1 1 275 27 29 GLN CG C 33.149 0.1 1 276 27 29 GLN N N 116.557 0.1 1 277 27 29 GLN NE2 N 114.375 0.1 1 278 28 30 ASP H H 8.086 0.02 1 279 28 30 ASP HA H 4.010 0.02 1 280 28 30 ASP HB2 H 2.794 0.02 2 281 28 30 ASP HB3 H 2.475 0.02 2 282 28 30 ASP C C 177.339 0.1 1 283 28 30 ASP CA C 55.599 0.1 1 284 28 30 ASP CB C 41.714 0.1 1 285 28 30 ASP N N 117.814 0.1 1 286 29 31 ILE H H 8.792 0.02 1 287 29 31 ILE HA H 4.633 0.02 1 288 29 31 ILE HB H 2.289 0.02 1 289 29 31 ILE HD1 H 0.442 0.02 1 290 29 31 ILE HG12 H 1.284 0.02 2 291 29 31 ILE HG13 H 1.284 0.02 2 292 29 31 ILE HG2 H 0.894 0.02 1 293 29 31 ILE C C 175.112 0.1 1 294 29 31 ILE CA C 60.914 0.1 1 295 29 31 ILE CB C 39.192 0.1 1 296 29 31 ILE CD1 C 16.599 0.1 1 297 29 31 ILE CG1 C 26.771 0.1 1 298 29 31 ILE CG2 C 18.124 0.1 1 299 29 31 ILE N N 123.944 0.1 1 300 30 32 SER H H 8.972 0.02 1 301 30 32 SER HA H 3.868 0.02 1 302 30 32 SER HB2 H 3.731 0.02 2 303 30 32 SER HB3 H 3.731 0.02 2 304 30 32 SER C C 173.469 0.1 1 305 30 32 SER CA C 59.204 0.1 1 306 30 32 SER CB C 61.479 0.1 1 307 30 32 SER N N 115.964 0.1 1 308 31 33 ASN H H 7.498 0.02 1 309 31 33 ASN HA H 5.028 0.02 1 310 31 33 ASN HB2 H 2.987 0.02 2 311 31 33 ASN HB3 H 2.621 0.02 2 312 31 33 ASN HD21 H 7.165 0.02 2 313 31 33 ASN HD22 H 6.646 0.02 2 314 31 33 ASN C C 175.364 0.1 1 315 31 33 ASN CA C 51.482 0.1 1 316 31 33 ASN CB C 37.775 0.1 1 317 31 33 ASN N N 120.034 0.1 1 318 31 33 ASN ND2 N 110.100 0.1 1 319 32 34 TYR H H 7.969 0.02 1 320 32 34 TYR HA H 4.137 0.02 1 321 32 34 TYR HB2 H 2.619 0.02 2 322 32 34 TYR HB3 H 1.516 0.02 2 323 32 34 TYR HD1 H 7.094 0.02 1 324 32 34 TYR HD2 H 7.094 0.02 1 325 32 34 TYR HE1 H 6.873 0.02 1 326 32 34 TYR HE2 H 6.873 0.02 1 327 32 34 TYR C C 173.327 0.1 1 328 32 34 TYR CA C 56.056 0.1 1 329 32 34 TYR CB C 35.039 0.1 1 330 32 34 TYR CD1 C 133.344 0.1 1 331 32 34 TYR CE1 C 118.457 0.1 1 332 32 34 TYR N N 121.139 0.1 1 333 33 35 LEU H H 7.666 0.02 1 334 33 35 LEU HA H 4.675 0.02 1 335 33 35 LEU HB2 H 0.671 0.02 2 336 33 35 LEU HB3 H 0.156 0.02 2 337 33 35 LEU HD1 H -0.093 0.02 2 338 33 35 LEU HD2 H -0.158 0.02 2 339 33 35 LEU HG H 0.479 0.02 1 340 33 35 LEU C C 175.189 0.1 1 341 33 35 LEU CA C 53.132 0.1 1 342 33 35 LEU CB C 46.134 0.1 1 343 33 35 LEU CD1 C 25.084 0.1 1 344 33 35 LEU CD2 C 25.059 0.1 1 345 33 35 LEU CG C 25.432 0.1 1 346 33 35 LEU N N 123.993 0.1 1 347 34 36 ASN H H 8.862 0.02 1 348 34 36 ASN HA H 5.824 0.02 1 349 34 36 ASN HB2 H 2.470 0.02 2 350 34 36 ASN HB3 H 2.210 0.02 2 351 34 36 ASN HD21 H 6.639 0.02 2 352 34 36 ASN HD22 H 5.337 0.02 2 353 34 36 ASN C C 175.538 0.1 1 354 34 36 ASN CA C 50.896 0.1 1 355 34 36 ASN CB C 43.552 0.1 1 356 34 36 ASN N N 124.642 0.1 1 357 34 36 ASN ND2 N 107.305 0.1 1 358 35 37 TRP H H 8.982 0.02 1 359 35 37 TRP HA H 5.342 0.02 1 360 35 37 TRP HB2 H 2.767 0.02 2 361 35 37 TRP HB3 H 2.614 0.02 2 362 35 37 TRP HD1 H 6.660 0.02 1 363 35 37 TRP HE1 H 11.483 0.02 1 364 35 37 TRP HE3 H 6.857 0.02 1 365 35 37 TRP HH2 H 6.776 0.02 1 366 35 37 TRP HZ2 H 7.007 0.02 1 367 35 37 TRP HZ3 H 6.664 0.02 1 368 35 37 TRP C C 175.775 0.1 1 369 35 37 TRP CA C 56.639 0.1 1 370 35 37 TRP CB C 32.756 0.1 1 371 35 37 TRP CD1 C 125.576 0.1 1 372 35 37 TRP CE3 C 119.879 0.1 1 373 35 37 TRP CH2 C 126.341 0.1 1 374 35 37 TRP CZ2 C 114.150 0.1 1 375 35 37 TRP CZ3 C 121.372 0.1 1 376 35 37 TRP N N 117.297 0.1 1 377 35 37 TRP NE1 N 134.458 0.1 1 378 36 38 TYR H H 9.428 0.02 1 379 36 38 TYR HA H 5.340 0.02 1 380 36 38 TYR HB2 H 2.702 0.02 2 381 36 38 TYR HB3 H 2.616 0.02 2 382 36 38 TYR HD1 H 6.654 0.02 1 383 36 38 TYR HD2 H 6.654 0.02 1 384 36 38 TYR HE1 H 6.825 0.02 1 385 36 38 TYR HE2 H 6.825 0.02 1 386 36 38 TYR C C 174.654 0.1 1 387 36 38 TYR CA C 57.014 0.1 1 388 36 38 TYR CB C 43.873 0.1 1 389 36 38 TYR CD1 C 132.567 0.1 1 390 36 38 TYR CE1 C 118.962 0.1 1 391 36 38 TYR N N 119.638 0.1 1 392 37 39 GLN H H 9.266 0.02 1 393 37 39 GLN HA H 4.273 0.02 1 394 37 39 GLN HB2 H 1.824 0.02 2 395 37 39 GLN HB3 H 2.126 0.02 2 396 37 39 GLN HE21 H 8.009 0.02 2 397 37 39 GLN HE22 H 7.783 0.02 2 398 37 39 GLN HG2 H 1.470 0.02 2 399 37 39 GLN HG3 H 1.470 0.02 2 400 37 39 GLN C C 174.186 0.1 1 401 37 39 GLN CA C 54.275 0.1 1 402 37 39 GLN CB C 34.899 0.1 1 403 37 39 GLN CG C 36.098 0.1 1 404 37 39 GLN N N 120.447 0.1 1 405 37 39 GLN NE2 N 112.960 0.1 1 406 38 40 GLN H H 9.465 0.02 1 407 38 40 GLN HA H 4.824 0.02 1 408 38 40 GLN HB2 H 2.216 0.02 2 409 38 40 GLN HB3 H 1.582 0.02 2 410 38 40 GLN HE21 H 7.598 0.02 2 411 38 40 GLN HE22 H 6.690 0.02 2 412 38 40 GLN HG2 H 2.212 0.02 2 413 38 40 GLN HG3 H 2.052 0.02 2 414 38 40 GLN C C 174.855 0.1 1 415 38 40 GLN CA C 55.500 0.1 1 416 38 40 GLN CB C 30.913 0.1 1 417 38 40 GLN CG C 33.898 0.1 1 418 38 40 GLN N N 129.689 0.1 1 419 38 40 GLN NE2 N 111.606 0.1 1 420 39 41 LYS H H 8.988 0.02 1 421 39 41 LYS HA H 4.638 0.02 1 422 39 41 LYS HB2 H 1.470 0.02 2 423 39 41 LYS HB3 H 1.938 0.02 2 424 39 41 LYS HD2 H 1.772 0.02 2 425 39 41 LYS HD3 H 1.689 0.02 2 426 39 41 LYS HE2 H 2.889 0.02 2 427 39 41 LYS HE3 H 3.089 0.02 2 428 39 41 LYS HG2 H 1.371 0.02 2 429 39 41 LYS HG3 H 1.496 0.02 2 430 39 41 LYS C C 173.518 0.1 1 431 39 41 LYS CA C 55.139 0.1 1 432 39 41 LYS CB C 32.480 0.1 1 433 39 41 LYS CD C 29.890 0.1 1 434 39 41 LYS CE C 42.353 0.1 1 435 39 41 LYS CG C 26.977 0.1 1 436 39 41 LYS N N 131.568 0.1 1 437 40 42 PRO HA H 4.305 0.02 1 438 40 42 PRO HB2 H 2.280 0.02 2 439 40 42 PRO HB3 H 1.907 0.02 2 440 40 42 PRO HD2 H 3.881 0.02 2 441 40 42 PRO HD3 H 3.637 0.02 2 442 40 42 PRO HG2 H 2.147 0.02 2 443 40 42 PRO HG3 H 2.005 0.02 2 444 40 42 PRO C C 178.426 0.1 1 445 40 42 PRO CA C 64.400 0.1 1 446 40 42 PRO CB C 31.911 0.1 1 447 40 42 PRO CD C 50.730 0.1 1 448 40 42 PRO CG C 28.201 0.1 1 449 41 43 GLY H H 8.835 0.02 1 450 41 43 GLY HA2 H 4.086 0.02 2 451 41 43 GLY HA3 H 3.761 0.02 2 452 41 43 GLY C C 173.880 0.1 1 453 41 43 GLY CA C 46.062 0.1 1 454 41 43 GLY N N 112.825 0.1 1 455 42 44 LYS H H 7.838 0.02 1 456 42 44 LYS HA H 4.810 0.02 1 457 42 44 LYS HB2 H 1.796 0.02 2 458 42 44 LYS HB3 H 1.906 0.02 2 459 42 44 LYS HD2 H 1.694 0.02 2 460 42 44 LYS HD3 H 1.607 0.02 2 461 42 44 LYS HE2 H 3.033 0.02 2 462 42 44 LYS HE3 H 2.973 0.02 2 463 42 44 LYS HG2 H 1.347 0.02 2 464 42 44 LYS HG3 H 1.277 0.02 2 465 42 44 LYS C C 175.649 0.1 1 466 42 44 LYS CA C 53.545 0.1 1 467 42 44 LYS CB C 35.571 0.1 1 468 42 44 LYS CD C 28.571 0.1 1 469 42 44 LYS CE C 42.539 0.1 1 470 42 44 LYS CG C 24.681 0.1 1 471 42 44 LYS N N 119.308 0.1 1 472 43 45 ALA H H 8.321 0.02 1 473 43 45 ALA HA H 4.313 0.02 1 474 43 45 ALA HB H 1.272 0.02 1 475 43 45 ALA C C 176.276 0.1 1 476 43 45 ALA CA C 50.837 0.1 1 477 43 45 ALA CB C 17.620 0.1 1 478 43 45 ALA N N 123.689 0.1 1 479 44 46 PRO HA H 4.392 0.02 1 480 44 46 PRO HB2 H 1.570 0.02 2 481 44 46 PRO HB3 H 1.889 0.02 2 482 44 46 PRO HD2 H 3.360 0.02 2 483 44 46 PRO HD3 H 3.097 0.02 2 484 44 46 PRO HG2 H 1.643 0.02 2 485 44 46 PRO HG3 H 1.486 0.02 2 486 44 46 PRO C C 175.570 0.1 1 487 44 46 PRO CA C 63.443 0.1 1 488 44 46 PRO CB C 32.169 0.1 1 489 44 46 PRO CD C 49.960 0.1 1 490 44 46 PRO CG C 27.948 0.1 1 491 45 47 LYS H H 8.868 0.02 1 492 45 47 LYS HA H 4.687 0.02 1 493 45 47 LYS HB2 H 1.906 0.02 2 494 45 47 LYS HB3 H 1.815 0.02 2 495 45 47 LYS HD2 H 1.640 0.02 2 496 45 47 LYS HD3 H 1.640 0.02 2 497 45 47 LYS HE2 H 2.814 0.02 2 498 45 47 LYS HE3 H 2.814 0.02 2 499 45 47 LYS HG2 H 1.430 0.02 2 500 45 47 LYS HG3 H 1.242 0.02 2 501 45 47 LYS C C 175.534 0.1 1 502 45 47 LYS CA C 54.522 0.1 1 503 45 47 LYS CB C 35.964 0.1 1 504 45 47 LYS CD C 29.255 0.1 1 505 45 47 LYS CE C 42.498 0.1 1 506 45 47 LYS CG C 25.076 0.1 1 507 45 47 LYS N N 123.588 0.1 1 508 46 48 LEU H H 8.865 0.02 1 509 46 48 LEU HA H 3.724 0.02 1 510 46 48 LEU HB2 H 1.298 0.02 2 511 46 48 LEU HB3 H 1.800 0.02 2 512 46 48 LEU HD1 H 0.754 0.02 2 513 46 48 LEU HD2 H 0.403 0.02 2 514 46 48 LEU HG H 1.089 0.02 1 515 46 48 LEU C C 175.191 0.1 1 516 46 48 LEU CA C 56.509 0.1 1 517 46 48 LEU CB C 42.679 0.1 1 518 46 48 LEU CD1 C 26.329 0.1 1 519 46 48 LEU CD2 C 23.101 0.1 1 520 46 48 LEU CG C 27.476 0.1 1 521 46 48 LEU N N 129.956 0.1 1 522 47 49 LEU H H 8.888 0.02 1 523 47 49 LEU HA H 4.824 0.02 1 524 47 49 LEU HB2 H 1.684 0.02 2 525 47 49 LEU HB3 H 1.307 0.02 2 526 47 49 LEU HD1 H 0.593 0.02 2 527 47 49 LEU HD2 H 0.637 0.02 2 528 47 49 LEU HG H 1.717 0.02 1 529 47 49 LEU C C 175.854 0.1 1 530 47 49 LEU CA C 55.464 0.1 1 531 47 49 LEU CB C 45.556 0.1 1 532 47 49 LEU CD1 C 22.788 0.1 1 533 47 49 LEU CD2 C 27.849 0.1 1 534 47 49 LEU CG C 26.667 0.1 1 535 47 49 LEU N N 124.671 0.1 1 536 48 50 ILE H H 7.270 0.02 1 537 48 50 ILE HA H 5.291 0.02 1 538 48 50 ILE HB H 1.847 0.02 1 539 48 50 ILE HD1 H 0.636 0.02 1 540 48 50 ILE HG12 H 1.192 0.02 2 541 48 50 ILE HG13 H 1.471 0.02 2 542 48 50 ILE HG2 H 0.772 0.02 1 543 48 50 ILE C C 173.833 0.1 1 544 48 50 ILE CA C 58.285 0.1 1 545 48 50 ILE CB C 42.874 0.1 1 546 48 50 ILE CD1 C 13.082 0.1 1 547 48 50 ILE CG1 C 27.967 0.1 1 548 48 50 ILE CG2 C 17.566 0.1 1 549 48 50 ILE N N 117.128 0.1 1 550 49 51 TYR H H 9.236 0.02 1 551 49 51 TYR HA H 6.072 0.02 1 552 49 51 TYR HB2 H 3.126 0.02 2 553 49 51 TYR HB3 H 2.693 0.02 2 554 49 51 TYR HD1 H 6.916 0.02 1 555 49 51 TYR HD2 H 6.916 0.02 1 556 49 51 TYR HE1 H 6.670 0.02 1 557 49 51 TYR HE2 H 6.670 0.02 1 558 49 51 TYR C C 174.559 0.1 1 559 49 51 TYR CA C 54.544 0.1 1 560 49 51 TYR CB C 43.192 0.1 1 561 49 51 TYR CD1 C 134.164 0.1 1 562 49 51 TYR CE1 C 118.444 0.1 1 563 49 51 TYR N N 123.218 0.1 1 564 50 52 ASP H H 8.590 0.02 1 565 50 52 ASP HA H 5.219 0.02 1 566 50 52 ASP HB2 H 2.717 0.02 2 567 50 52 ASP HB3 H 2.982 0.02 2 568 50 52 ASP C C 178.697 0.1 1 569 50 52 ASP CA C 55.778 0.1 1 570 50 52 ASP CB C 39.763 0.1 1 571 50 52 ASP N N 122.683 0.1 1 572 51 53 ALA H H 9.501 0.02 1 573 51 53 ALA HA H 3.768 0.02 1 574 51 53 ALA HB H 1.891 0.02 1 575 51 53 ALA C C 179.944 0.1 1 576 51 53 ALA CA C 57.789 0.1 1 577 51 53 ALA CB C 19.865 0.1 1 578 51 53 ALA N N 114.912 0.1 1 579 52 54 SER H H 8.628 0.02 1 580 52 54 SER HA H 4.746 0.02 1 581 52 54 SER HB2 H 4.145 0.02 2 582 52 54 SER HB3 H 3.717 0.02 2 583 52 54 SER C C 174.954 0.1 1 584 52 54 SER CA C 58.051 0.1 1 585 52 54 SER CB C 66.823 0.1 1 586 52 54 SER N N 111.142 0.1 1 587 53 55 ASN H H 8.460 0.02 1 588 53 55 ASN HA H 4.792 0.02 1 589 53 55 ASN HB2 H 1.621 0.02 2 590 53 55 ASN HB3 H 1.863 0.02 2 591 53 55 ASN HD21 H 6.467 0.02 2 592 53 55 ASN HD22 H 7.230 0.02 2 593 53 55 ASN C C 172.806 0.1 1 594 53 55 ASN CA C 53.172 0.1 1 595 53 55 ASN CB C 38.964 0.1 1 596 53 55 ASN N N 123.493 0.1 1 597 53 55 ASN ND2 N 114.647 0.1 1 598 54 56 LEU H H 8.620 0.02 1 599 54 56 LEU HA H 4.614 0.02 1 600 54 56 LEU HB2 H 1.617 0.02 2 601 54 56 LEU HB3 H 1.763 0.02 2 602 54 56 LEU HD1 H 0.986 0.02 2 603 54 56 LEU HD2 H 0.922 0.02 2 604 54 56 LEU HG H 1.726 0.02 1 605 54 56 LEU C C 178.568 0.1 1 606 54 56 LEU CA C 56.031 0.1 1 607 54 56 LEU CB C 43.543 0.1 1 608 54 56 LEU CD1 C 24.730 0.1 1 609 54 56 LEU CD2 C 25.035 0.1 1 610 54 56 LEU CG C 28.966 0.1 1 611 54 56 LEU N N 125.278 0.1 1 612 55 57 GLU H H 8.188 0.02 1 613 55 57 GLU HA H 4.779 0.02 1 614 55 57 GLU HB2 H 1.791 0.02 2 615 55 57 GLU HB3 H 2.042 0.02 2 616 55 57 GLU HG2 H 2.522 0.02 2 617 55 57 GLU HG3 H 2.233 0.02 2 618 55 57 GLU C C 176.344 0.1 1 619 55 57 GLU CA C 56.787 0.1 1 620 55 57 GLU CB C 30.897 0.1 1 621 55 57 GLU CG C 36.652 0.1 1 622 55 57 GLU N N 125.719 0.1 1 623 56 58 THR H H 8.861 0.02 1 624 56 58 THR HA H 4.052 0.02 1 625 56 58 THR HB H 4.056 0.02 1 626 56 58 THR HG2 H 1.284 0.02 1 627 56 58 THR C C 176.107 0.1 1 628 56 58 THR CA C 64.838 0.1 1 629 56 58 THR CB C 69.392 0.1 1 630 56 58 THR CG2 C 22.145 0.1 1 631 56 58 THR N N 120.135 0.1 1 632 57 59 GLY H H 9.002 0.02 1 633 57 59 GLY HA2 H 4.210 0.02 2 634 57 59 GLY HA3 H 3.725 0.02 2 635 57 59 GLY C C 174.385 0.1 1 636 57 59 GLY CA C 45.709 0.1 1 637 57 59 GLY N N 115.341 0.1 1 638 58 60 VAL H H 7.663 0.02 1 639 58 60 VAL HA H 4.314 0.02 1 640 58 60 VAL HB H 2.331 0.02 1 641 58 60 VAL HG1 H 1.217 0.02 2 642 58 60 VAL HG2 H 1.140 0.02 2 643 58 60 VAL C C 174.499 0.1 1 644 58 60 VAL CA C 61.040 0.1 1 645 58 60 VAL CB C 33.127 0.1 1 646 58 60 VAL CG1 C 22.327 0.1 1 647 58 60 VAL CG2 C 24.063 0.1 1 648 58 60 VAL N N 125.031 0.1 1 649 59 61 PRO HA H 4.526 0.02 1 650 59 61 PRO HB2 H 1.841 0.02 2 651 59 61 PRO HB3 H 2.484 0.02 2 652 59 61 PRO HD2 H 3.766 0.02 2 653 59 61 PRO HD3 H 4.088 0.02 2 654 59 61 PRO HG2 H 2.126 0.02 2 655 59 61 PRO HG3 H 2.054 0.02 2 656 59 61 PRO C C 176.689 0.1 1 657 59 61 PRO CA C 63.437 0.1 1 658 59 61 PRO CB C 33.809 0.1 1 659 59 61 PRO CD C 51.872 0.1 1 660 59 61 PRO CG C 27.948 0.1 1 661 60 62 SER H H 8.394 0.02 1 662 60 62 SER HA H 4.265 0.02 1 663 60 62 SER HB2 H 4.090 0.02 2 664 60 62 SER HB3 H 3.955 0.02 2 665 60 62 SER CA C 60.392 0.1 1 666 60 62 SER CB C 63.289 0.1 1 667 60 62 SER N N 113.945 0.1 1 668 61 63 ARG H H 6.917 0.02 1 669 61 63 ARG HA H 4.265 0.02 1 670 61 63 ARG HB2 H 1.685 0.02 2 671 61 63 ARG HB3 H 1.763 0.02 2 672 61 63 ARG HD2 H 3.084 0.02 2 673 61 63 ARG HD3 H 3.084 0.02 2 674 61 63 ARG HG2 H 1.236 0.02 2 675 61 63 ARG HG3 H 1.236 0.02 2 676 61 63 ARG C C 175.317 0.1 1 677 61 63 ARG CA C 56.781 0.1 1 678 61 63 ARG CB C 29.820 0.1 1 679 61 63 ARG CD C 42.572 0.1 1 680 61 63 ARG CG C 27.300 0.1 1 681 61 63 ARG N N 116.209 0.1 1 682 62 64 PHE H H 7.650 0.02 1 683 62 64 PHE HA H 4.972 0.02 1 684 62 64 PHE HB2 H 3.077 0.02 2 685 62 64 PHE HB3 H 2.612 0.02 2 686 62 64 PHE HD1 H 7.220 0.02 1 687 62 64 PHE HD2 H 7.220 0.02 1 688 62 64 PHE HE1 H 7.258 0.02 1 689 62 64 PHE HE2 H 7.258 0.02 1 690 62 64 PHE HZ H 7.448 0.02 1 691 62 64 PHE C C 174.093 0.1 1 692 62 64 PHE CA C 56.777 0.1 1 693 62 64 PHE CB C 40.033 0.1 1 694 62 64 PHE CD1 C 132.050 0.1 1 695 62 64 PHE CE1 C 130.794 0.1 1 696 62 64 PHE CZ C 130.755 0.1 1 697 62 64 PHE N N 121.992 0.1 1 698 63 65 SER H H 8.362 0.02 1 699 63 65 SER HA H 4.501 0.02 1 700 63 65 SER HB2 H 3.745 0.02 2 701 63 65 SER HB3 H 3.699 0.02 2 702 63 65 SER C C 171.763 0.1 1 703 63 65 SER CA C 57.728 0.1 1 704 63 65 SER CB C 65.834 0.1 1 705 63 65 SER N N 112.000 0.1 1 706 64 66 GLY H H 8.599 0.02 1 707 64 66 GLY HA2 H 3.874 0.02 2 708 64 66 GLY HA3 H 5.246 0.02 2 709 64 66 GLY C C 172.773 0.1 1 710 64 66 GLY CA C 44.779 0.1 1 711 64 66 GLY N N 107.351 0.1 1 712 65 67 SER H H 8.987 0.02 1 713 65 67 SER HA H 4.782 0.02 1 714 65 67 SER HB2 H 3.823 0.02 2 715 65 67 SER HB3 H 3.717 0.02 2 716 65 67 SER C C 174.168 0.1 1 717 65 67 SER CA C 57.728 0.1 1 718 65 67 SER CB C 66.480 0.1 1 719 65 67 SER N N 114.240 0.1 1 720 66 68 GLY H H 8.397 0.02 1 721 66 68 GLY HA2 H 3.713 0.02 2 722 66 68 GLY HA3 H 4.857 0.02 2 723 66 68 GLY C C 171.880 0.1 1 724 66 68 GLY CA C 45.137 0.1 1 725 66 68 GLY N N 111.818 0.1 1 726 67 69 SER H H 6.995 0.02 1 727 67 69 SER HA H 4.354 0.02 1 728 67 69 SER HB2 H 3.703 0.02 2 729 67 69 SER HB3 H 3.671 0.02 2 730 67 69 SER C C 174.082 0.1 1 731 67 69 SER CA C 58.415 0.1 1 732 67 69 SER CB C 64.898 0.1 1 733 67 69 SER N N 109.747 0.1 1 734 68 70 GLY H H 9.182 0.02 1 735 68 70 GLY HA2 H 3.950 0.02 2 736 68 70 GLY HA3 H 4.267 0.02 2 737 68 70 GLY C C 172.646 0.1 1 738 68 70 GLY CA C 47.034 0.1 1 739 68 70 GLY N N 113.732 0.1 1 740 69 71 THR H H 8.197 0.02 1 741 69 71 THR HA H 4.749 0.02 1 742 69 71 THR HB H 4.635 0.02 1 743 69 71 THR HG2 H 0.934 0.02 1 744 69 71 THR C C 174.101 0.1 1 745 69 71 THR CA C 61.643 0.1 1 746 69 71 THR CB C 71.349 0.1 1 747 69 71 THR CG2 C 20.635 0.1 1 748 69 71 THR N N 112.684 0.1 1 749 70 72 ASP H H 7.169 0.02 1 750 70 72 ASP HA H 5.261 0.02 1 751 70 72 ASP HB2 H 2.508 0.02 2 752 70 72 ASP HB3 H 2.462 0.02 2 753 70 72 ASP C C 173.848 0.1 1 754 70 72 ASP CA C 54.888 0.1 1 755 70 72 ASP CB C 43.313 0.1 1 756 70 72 ASP N N 122.024 0.1 1 757 71 73 PHE H H 8.835 0.02 1 758 71 73 PHE HA H 5.226 0.02 1 759 71 73 PHE HB2 H 2.898 0.02 2 760 71 73 PHE HB3 H 3.577 0.02 2 761 71 73 PHE HD1 H 7.148 0.02 1 762 71 73 PHE HD2 H 7.148 0.02 1 763 71 73 PHE HE1 H 6.857 0.02 1 764 71 73 PHE HE2 H 6.857 0.02 1 765 71 73 PHE HZ H 7.313 0.02 1 766 71 73 PHE C C 176.091 0.1 1 767 71 73 PHE CA C 57.733 0.1 1 768 71 73 PHE CB C 43.123 0.1 1 769 71 73 PHE CD1 C 132.475 0.1 1 770 71 73 PHE CE1 C 130.755 0.1 1 771 71 73 PHE CZ C 130.496 0.1 1 772 71 73 PHE N N 122.325 0.1 1 773 72 74 THR H H 9.010 0.02 1 774 72 74 THR HA H 5.298 0.02 1 775 72 74 THR HB H 3.856 0.02 1 776 72 74 THR HG2 H 1.054 0.02 1 777 72 74 THR C C 171.831 0.1 1 778 72 74 THR CA C 61.639 0.1 1 779 72 74 THR CB C 72.487 0.1 1 780 72 74 THR CG2 C 22.085 0.1 1 781 72 74 THR N N 116.293 0.1 1 782 73 75 PHE H H 9.055 0.02 1 783 73 75 PHE HA H 4.689 0.02 1 784 73 75 PHE HB2 H 0.159 0.02 2 785 73 75 PHE HB3 H 1.321 0.02 2 786 73 75 PHE HD1 H 6.095 0.02 1 787 73 75 PHE HD2 H 6.095 0.02 1 788 73 75 PHE HE1 H 6.326 0.02 1 789 73 75 PHE HE2 H 6.326 0.02 1 790 73 75 PHE HZ H 6.571 0.02 1 791 73 75 PHE C C 173.280 0.1 1 792 73 75 PHE CA C 55.947 0.1 1 793 73 75 PHE CB C 39.619 0.1 1 794 73 75 PHE CD1 C 131.273 0.1 1 795 73 75 PHE CE1 C 129.201 0.1 1 796 73 75 PHE CZ C 129.082 0.1 1 797 73 75 PHE N N 129.404 0.1 1 798 74 76 THR H H 8.321 0.02 1 799 74 76 THR HA H 5.066 0.02 1 800 74 76 THR HB H 3.417 0.02 1 801 74 76 THR HG2 H 0.763 0.02 1 802 74 76 THR C C 172.853 0.1 1 803 74 76 THR CA C 60.592 0.1 1 804 74 76 THR CB C 72.017 0.1 1 805 74 76 THR CG2 C 20.829 0.1 1 806 74 76 THR N N 122.615 0.1 1 807 75 77 ILE H H 8.394 0.02 1 808 75 77 ILE HA H 4.177 0.02 1 809 75 77 ILE HB H 1.374 0.02 1 810 75 77 ILE HD1 H 0.493 0.02 1 811 75 77 ILE HG12 H 0.973 0.02 2 812 75 77 ILE HG13 H 0.484 0.02 2 813 75 77 ILE HG2 H 0.370 0.02 1 814 75 77 ILE C C 176.659 0.1 1 815 75 77 ILE CA C 60.249 0.1 1 816 75 77 ILE CB C 39.502 0.1 1 817 75 77 ILE CD1 C 13.686 0.1 1 818 75 77 ILE CG1 C 26.499 0.1 1 819 75 77 ILE CG2 C 17.223 0.1 1 820 75 77 ILE N N 123.894 0.1 1 821 76 78 SER H H 9.129 0.02 1 822 76 78 SER HA H 3.823 0.02 1 823 76 78 SER HB2 H 3.759 0.02 2 824 76 78 SER HB3 H 3.759 0.02 2 825 76 78 SER C C 174.093 0.1 1 826 76 78 SER CA C 61.000 0.1 1 827 76 78 SER CB C 62.812 0.1 1 828 76 78 SER N N 121.937 0.1 1 829 77 79 SER H H 6.108 0.02 1 830 77 79 SER HA H 3.908 0.02 1 831 77 79 SER HB2 H 3.559 0.02 2 832 77 79 SER HB3 H 3.559 0.02 2 833 77 79 SER C C 173.904 0.1 1 834 77 79 SER CA C 56.689 0.1 1 835 77 79 SER CB C 62.728 0.1 1 836 77 79 SER N N 113.394 0.1 1 837 78 80 LEU H H 8.964 0.02 1 838 78 80 LEU HA H 3.912 0.02 1 839 78 80 LEU HB2 H 1.838 0.02 2 840 78 80 LEU HB3 H 1.384 0.02 2 841 78 80 LEU HD1 H 0.903 0.02 2 842 78 80 LEU HD2 H 0.610 0.02 2 843 78 80 LEU HG H 1.494 0.02 1 844 78 80 LEU C C 176.353 0.1 1 845 78 80 LEU CA C 57.299 0.1 1 846 78 80 LEU CB C 42.706 0.1 1 847 78 80 LEU CD1 C 27.300 0.1 1 848 78 80 LEU CD2 C 27.032 0.1 1 849 78 80 LEU CG C 26.653 0.1 1 850 78 80 LEU N N 128.180 0.1 1 851 79 81 GLN H H 9.054 0.02 1 852 79 81 GLN HA H 4.884 0.02 1 853 79 81 GLN HB2 H 2.442 0.02 2 854 79 81 GLN HB3 H 1.566 0.02 2 855 79 81 GLN HE21 H 6.884 0.02 2 856 79 81 GLN HE22 H 6.814 0.02 2 857 79 81 GLN HG2 H 2.509 0.02 2 858 79 81 GLN HG3 H 2.199 0.02 2 859 79 81 GLN C C 175.003 0.1 1 860 79 81 GLN CA C 52.873 0.1 1 861 79 81 GLN CB C 29.890 0.1 1 862 79 81 GLN CG C 33.256 0.1 1 863 79 81 GLN N N 126.207 0.1 1 864 79 81 GLN NE2 N 114.426 0.1 1 865 80 82 PRO HA H 4.052 0.02 1 866 80 82 PRO HB2 H 1.982 0.02 2 867 80 82 PRO HB3 H 2.396 0.02 2 868 80 82 PRO HD2 H 3.890 0.02 2 869 80 82 PRO HD3 H 3.660 0.02 2 870 80 82 PRO HG2 H 1.948 0.02 2 871 80 82 PRO HG3 H 2.281 0.02 2 872 80 82 PRO C C 178.665 0.1 1 873 80 82 PRO CA C 66.447 0.1 1 874 80 82 PRO CB C 31.934 0.1 1 875 80 82 PRO CD C 50.607 0.1 1 876 80 82 PRO CG C 28.384 0.1 1 877 81 83 GLU H H 9.384 0.02 1 878 81 83 GLU HA H 4.342 0.02 1 879 81 83 GLU HB2 H 2.176 0.02 2 880 81 83 GLU HB3 H 2.080 0.02 2 881 81 83 GLU HG2 H 2.270 0.02 2 882 81 83 GLU HG3 H 2.187 0.02 2 883 81 83 GLU C C 176.296 0.1 1 884 81 83 GLU CA C 57.994 0.1 1 885 81 83 GLU CB C 28.623 0.1 1 886 81 83 GLU CG C 35.777 0.1 1 887 81 83 GLU N N 114.618 0.1 1 888 82 84 ASP H H 8.372 0.02 1 889 82 84 ASP HA H 4.631 0.02 1 890 82 84 ASP HB2 H 3.102 0.02 2 891 82 84 ASP HB3 H 2.986 0.02 2 892 82 84 ASP C C 177.702 0.1 1 893 82 84 ASP CA C 54.587 0.1 1 894 82 84 ASP CB C 41.449 0.1 1 895 82 84 ASP N N 120.870 0.1 1 896 83 85 ILE H H 7.209 0.02 1 897 83 85 ILE HA H 3.838 0.02 1 898 83 85 ILE HB H 2.052 0.02 1 899 83 85 ILE HD1 H 0.885 0.02 1 900 83 85 ILE HG12 H 1.704 0.02 2 901 83 85 ILE HG13 H 1.461 0.02 2 902 83 85 ILE HG2 H 1.152 0.02 1 903 83 85 ILE C C 175.067 0.1 1 904 83 85 ILE CA C 63.576 0.1 1 905 83 85 ILE CB C 36.744 0.1 1 906 83 85 ILE CD1 C 12.578 0.1 1 907 83 85 ILE CG1 C 27.814 0.1 1 908 83 85 ILE CG2 C 17.610 0.1 1 909 83 85 ILE N N 121.902 0.1 1 910 84 86 ALA H H 7.838 0.02 1 911 84 86 ALA HA H 4.491 0.02 1 912 84 86 ALA HB H 1.055 0.02 1 913 84 86 ALA C C 175.285 0.1 1 914 84 86 ALA CA C 51.953 0.1 1 915 84 86 ALA CB C 21.076 0.1 1 916 84 86 ALA N N 128.716 0.1 1 917 85 87 THR H H 7.971 0.02 1 918 85 87 THR HA H 5.442 0.02 1 919 85 87 THR HB H 3.945 0.02 1 920 85 87 THR HG2 H 0.938 0.02 1 921 85 87 THR C C 173.548 0.1 1 922 85 87 THR CA C 62.040 0.1 1 923 85 87 THR CB C 69.898 0.1 1 924 85 87 THR CG2 C 22.300 0.1 1 925 85 87 THR N N 113.888 0.1 1 926 86 88 TYR H H 8.806 0.02 1 927 86 88 TYR HA H 5.480 0.02 1 928 86 88 TYR HB2 H 2.554 0.02 2 929 86 88 TYR HB3 H 2.554 0.02 2 930 86 88 TYR HD1 H 6.804 0.02 1 931 86 88 TYR HD2 H 6.804 0.02 1 932 86 88 TYR HE1 H 6.781 0.02 1 933 86 88 TYR HE2 H 6.781 0.02 1 934 86 88 TYR HH H 10.650 0.02 1 935 86 88 TYR C C 176.707 0.1 1 936 86 88 TYR CA C 57.066 0.1 1 937 86 88 TYR CB C 42.212 0.1 1 938 86 88 TYR CD1 C 133.603 0.1 1 939 86 88 TYR CE1 C 117.800 0.1 1 940 86 88 TYR N N 125.229 0.1 1 941 87 89 HIS H H 9.033 0.02 1 942 87 89 HIS HA H 5.519 0.02 1 943 87 89 HIS HB2 H 3.163 0.02 2 944 87 89 HIS HB3 H 2.829 0.02 2 945 87 89 HIS HD2 H 6.070 0.02 1 946 87 89 HIS HE1 H 7.265 0.02 1 947 87 89 HIS C C 174.128 0.1 1 948 87 89 HIS CA C 56.757 0.1 1 949 87 89 HIS CB C 36.216 0.1 1 950 87 89 HIS CD2 C 120.915 0.1 1 951 87 89 HIS CE1 C 138.653 0.1 1 952 87 89 HIS N N 120.908 0.1 1 953 88 90 CYS H H 7.219 0.02 1 954 88 90 CYS HA H 5.326 0.02 1 955 88 90 CYS HB2 H 2.265 0.02 2 956 88 90 CYS HB3 H 1.049 0.02 2 957 88 90 CYS C C 172.616 0.1 1 958 88 90 CYS CA C 52.512 0.1 1 959 88 90 CYS CB C 45.723 0.1 1 960 88 90 CYS N N 110.904 0.1 1 961 89 91 GLN H H 8.611 0.02 1 962 89 91 GLN HA H 4.842 0.02 1 963 89 91 GLN HB2 H 1.677 0.02 2 964 89 91 GLN HB3 H 1.086 0.02 2 965 89 91 GLN HG2 H 1.803 0.02 2 966 89 91 GLN HG3 H 1.254 0.02 2 967 89 91 GLN C C 174.263 0.1 1 968 89 91 GLN CA C 54.486 0.1 1 969 89 91 GLN CB C 32.200 0.1 1 970 89 91 GLN CG C 33.800 0.1 1 971 89 91 GLN N N 122.044 0.1 1 972 90 92 GLN H H 8.448 0.02 1 973 90 92 GLN HA H 5.233 0.02 1 974 90 92 GLN HB2 H 1.810 0.02 2 975 90 92 GLN HB3 H 2.480 0.02 2 976 90 92 GLN HE21 H 7.555 0.02 2 977 90 92 GLN HE22 H 7.223 0.02 2 978 90 92 GLN HG2 H 2.794 0.02 2 979 90 92 GLN HG3 H 2.140 0.02 2 980 90 92 GLN C C 175.317 0.1 1 981 90 92 GLN CA C 53.118 0.1 1 982 90 92 GLN CB C 29.640 0.1 1 983 90 92 GLN CG C 31.628 0.1 1 984 90 92 GLN N N 125.845 0.1 1 985 90 92 GLN NE2 N 111.321 0.1 1 986 91 93 TYR H H 7.469 0.02 1 987 91 93 TYR HA H 4.189 0.02 1 988 91 93 TYR HB2 H 2.237 0.02 2 989 91 93 TYR HB3 H 1.270 0.02 2 990 91 93 TYR HD1 H 6.490 0.02 1 991 91 93 TYR HD2 H 6.490 0.02 1 992 91 93 TYR HE1 H 6.605 0.02 1 993 91 93 TYR HE2 H 6.605 0.02 1 994 91 93 TYR C C 174.291 0.1 1 995 91 93 TYR CA C 55.679 0.1 1 996 91 93 TYR CB C 35.449 0.1 1 997 91 93 TYR CD1 C 134.218 0.1 1 998 91 93 TYR CE1 C 118.843 0.1 1 999 91 93 TYR N N 117.921 0.1 1 1000 92 94 ASP H H 8.676 0.02 1 1001 92 94 ASP HA H 4.168 0.02 1 1002 92 94 ASP HB2 H 2.833 0.02 2 1003 92 94 ASP HB3 H 2.614 0.02 2 1004 92 94 ASP C C 176.359 0.1 1 1005 92 94 ASP CA C 56.765 0.1 1 1006 92 94 ASP CB C 43.513 0.1 1 1007 92 94 ASP N N 121.926 0.1 1 1008 93 95 ASN H H 8.252 0.02 1 1009 93 95 ASN HA H 4.844 0.02 1 1010 93 95 ASN HB2 H 2.647 0.02 2 1011 93 95 ASN HB3 H 2.560 0.02 2 1012 93 95 ASN HD21 H 7.579 0.02 2 1013 93 95 ASN HD22 H 6.691 0.02 2 1014 93 95 ASN C C 172.995 0.1 1 1015 93 95 ASN CA C 52.061 0.1 1 1016 93 95 ASN CB C 43.422 0.1 1 1017 93 95 ASN N N 114.580 0.1 1 1018 93 95 ASN ND2 N 113.217 0.1 1 1019 94 96 LEU H H 8.087 0.02 1 1020 94 96 LEU HA H 3.921 0.02 1 1021 94 96 LEU HB2 H 1.456 0.02 2 1022 94 96 LEU HB3 H 1.091 0.02 2 1023 94 96 LEU HD1 H 0.149 0.02 2 1024 94 96 LEU HD2 H 0.736 0.02 2 1025 94 96 LEU HG H 1.309 0.02 1 1026 94 96 LEU CA C 53.520 0.1 1 1027 94 96 LEU CB C 42.838 0.1 1 1028 94 96 LEU CD1 C 23.416 0.1 1 1029 94 96 LEU CD2 C 26.006 0.1 1 1030 94 96 LEU CG C 27.300 0.1 1 1031 94 96 LEU N N 121.373 0.1 1 1032 95 97 PRO HA H 4.066 0.02 1 1033 95 97 PRO HB2 H 1.948 0.02 2 1034 95 97 PRO HB3 H 2.179 0.02 2 1035 95 97 PRO HD2 H 3.700 0.02 2 1036 95 97 PRO HD3 H 3.284 0.02 2 1037 95 97 PRO HG2 H 1.893 0.02 2 1038 95 97 PRO HG3 H 1.850 0.02 2 1039 95 97 PRO C C 176.817 0.1 1 1040 95 97 PRO CA C 61.937 0.1 1 1041 95 97 PRO CB C 34.134 0.1 1 1042 95 97 PRO CD C 50.931 0.1 1 1043 95 97 PRO CG C 25.087 0.1 1 1044 96 98 TYR H H 7.925 0.02 1 1045 96 98 TYR HA H 4.933 0.02 1 1046 96 98 TYR HB2 H 2.875 0.02 2 1047 96 98 TYR HB3 H 2.470 0.02 2 1048 96 98 TYR HD1 H 6.640 0.02 1 1049 96 98 TYR HD2 H 6.640 0.02 1 1050 96 98 TYR HE1 H 6.249 0.02 1 1051 96 98 TYR HE2 H 6.249 0.02 1 1052 96 98 TYR C C 176.786 0.1 1 1053 96 98 TYR CA C 55.500 0.1 1 1054 96 98 TYR CB C 36.050 0.1 1 1055 96 98 TYR CD1 C 131.779 0.1 1 1056 96 98 TYR CE1 C 118.066 0.1 1 1057 96 98 TYR N N 121.956 0.1 1 1058 97 99 THR H H 7.338 0.02 1 1059 97 99 THR HA H 4.840 0.02 1 1060 97 99 THR HB H 4.563 0.02 1 1061 97 99 THR HG1 H 5.176 0.02 1 1062 97 99 THR HG2 H 1.363 0.02 1 1063 97 99 THR C C 173.138 0.1 1 1064 97 99 THR CA C 60.089 0.1 1 1065 97 99 THR CB C 72.926 0.1 1 1066 97 99 THR CG2 C 23.851 0.1 1 1067 97 99 THR N N 112.943 0.1 1 1068 98 100 PHE H H 8.801 0.02 1 1069 98 100 PHE HA H 5.503 0.02 1 1070 98 100 PHE HB2 H 3.452 0.02 2 1071 98 100 PHE HB3 H 2.991 0.02 2 1072 98 100 PHE HD1 H 7.152 0.02 1 1073 98 100 PHE HD2 H 7.152 0.02 1 1074 98 100 PHE HE1 H 6.880 0.02 1 1075 98 100 PHE HE2 H 6.880 0.02 1 1076 98 100 PHE C C 178.863 0.1 1 1077 98 100 PHE CA C 56.488 0.1 1 1078 98 100 PHE CB C 43.905 0.1 1 1079 98 100 PHE CD1 C 132.309 0.1 1 1080 98 100 PHE CE1 C 131.300 0.1 1 1081 98 100 PHE N N 118.749 0.1 1 1082 99 101 GLY H H 8.741 0.02 1 1083 99 101 GLY HA2 H 4.399 0.02 2 1084 99 101 GLY HA3 H 4.195 0.02 2 1085 99 101 GLY CA C 45.131 0.1 1 1086 99 101 GLY N N 107.685 0.1 1 1087 100 102 GLN H H 8.542 0.02 1 1088 100 102 GLN HA H 4.328 0.02 1 1089 100 102 GLN HB2 H 2.407 0.02 2 1090 100 102 GLN HB3 H 2.372 0.02 2 1091 100 102 GLN HE21 H 7.756 0.02 2 1092 100 102 GLN HE22 H 7.200 0.02 2 1093 100 102 GLN HG2 H 2.698 0.02 2 1094 100 102 GLN HG3 H 2.698 0.02 2 1095 100 102 GLN C C 176.385 0.1 1 1096 100 102 GLN CA C 58.333 0.1 1 1097 100 102 GLN CB C 28.595 0.1 1 1098 100 102 GLN CG C 34.438 0.1 1 1099 100 102 GLN NE2 N 112.960 0.1 1 1100 101 103 GLY H H 7.048 0.02 1 1101 101 103 GLY HA2 H 3.872 0.02 2 1102 101 103 GLY HA3 H 3.586 0.02 2 1103 101 103 GLY C C 172.759 0.1 1 1104 101 103 GLY CA C 44.497 0.1 1 1105 101 103 GLY N N 106.723 0.1 1 1106 102 104 THR H H 8.066 0.02 1 1107 102 104 THR HA H 4.782 0.02 1 1108 102 104 THR HB H 3.712 0.02 1 1109 102 104 THR HG2 H 1.014 0.02 1 1110 102 104 THR C C 174.080 0.1 1 1111 102 104 THR CA C 61.948 0.1 1 1112 102 104 THR CB C 72.715 0.1 1 1113 102 104 THR CG2 C 21.919 0.1 1 1114 102 104 THR N N 116.932 0.1 1 1115 103 105 LYS H H 8.264 0.02 1 1116 103 105 LYS HA H 4.642 0.02 1 1117 103 105 LYS HB2 H 1.923 0.02 2 1118 103 105 LYS HB3 H 1.798 0.02 2 1119 103 105 LYS HD2 H 1.688 0.02 2 1120 103 105 LYS HD3 H 1.688 0.02 2 1121 103 105 LYS HE2 H 2.968 0.02 2 1122 103 105 LYS HE3 H 2.968 0.02 2 1123 103 105 LYS HG2 H 1.451 0.02 2 1124 103 105 LYS HG3 H 1.340 0.02 2 1125 103 105 LYS C C 174.115 0.1 1 1126 103 105 LYS CA C 56.813 0.1 1 1127 103 105 LYS CB C 33.820 0.1 1 1128 103 105 LYS CD C 29.769 0.1 1 1129 103 105 LYS CE C 42.342 0.1 1 1130 103 105 LYS CG C 25.301 0.1 1 1131 103 105 LYS N N 129.548 0.1 1 1132 104 106 LEU H H 8.545 0.02 1 1133 104 106 LEU HA H 5.331 0.02 1 1134 104 106 LEU HB2 H 2.142 0.02 2 1135 104 106 LEU HB3 H 1.694 0.02 2 1136 104 106 LEU HD1 H 0.921 0.02 2 1137 104 106 LEU HD2 H 0.905 0.02 2 1138 104 106 LEU HG H 1.758 0.02 1 1139 104 106 LEU C C 175.349 0.1 1 1140 104 106 LEU CA C 54.541 0.1 1 1141 104 106 LEU CB C 45.156 0.1 1 1142 104 106 LEU CD1 C 26.365 0.1 1 1143 104 106 LEU CD2 C 26.365 0.1 1 1144 104 106 LEU CG C 28.595 0.1 1 1145 104 106 LEU N N 129.544 0.1 1 1146 105 107 GLU H H 8.695 0.02 1 1147 105 107 GLU HA H 4.754 0.02 1 1148 105 107 GLU HB2 H 1.895 0.02 2 1149 105 107 GLU HB3 H 2.042 0.02 2 1150 105 107 GLU HG2 H 2.174 0.02 2 1151 105 107 GLU HG3 H 2.174 0.02 2 1152 105 107 GLU C C 174.480 0.1 1 1153 105 107 GLU CA C 55.147 0.1 1 1154 105 107 GLU CB C 34.109 0.1 1 1155 105 107 GLU CG C 36.688 0.1 1 1156 105 107 GLU N N 123.375 0.1 1 1157 106 108 ILE H H 8.197 0.02 1 1158 106 108 ILE HA H 4.908 0.02 1 1159 106 108 ILE HB H 1.729 0.02 1 1160 106 108 ILE HD1 H 0.752 0.02 1 1161 106 108 ILE HG12 H 1.479 0.02 2 1162 106 108 ILE HG13 H 1.145 0.02 2 1163 106 108 ILE HG2 H 0.924 0.02 1 1164 106 108 ILE C C 176.679 0.1 1 1165 106 108 ILE CA C 59.182 0.1 1 1166 106 108 ILE CB C 39.329 0.1 1 1167 106 108 ILE CD1 C 12.910 0.1 1 1168 106 108 ILE CG1 C 28.571 0.1 1 1169 106 108 ILE CG2 C 17.894 0.1 1 1170 106 108 ILE N N 120.426 0.1 1 1171 107 109 LYS H H 8.364 0.02 1 1172 107 109 LYS HA H 4.196 0.02 1 1173 107 109 LYS HB2 H 1.645 0.02 2 1174 107 109 LYS HB3 H 1.479 0.02 2 1175 107 109 LYS HD2 H 1.586 0.02 2 1176 107 109 LYS HD3 H 1.586 0.02 2 1177 107 109 LYS HE2 H 2.902 0.02 2 1178 107 109 LYS HE3 H 2.902 0.02 2 1179 107 109 LYS HG2 H 1.307 0.02 2 1180 107 109 LYS HG3 H 1.307 0.02 2 1181 107 109 LYS C C 175.190 0.1 1 1182 107 109 LYS CA C 56.736 0.1 1 1183 107 109 LYS CB C 33.470 0.1 1 1184 107 109 LYS CD C 29.514 0.1 1 1185 107 109 LYS CE C 42.191 0.1 1 1186 107 109 LYS CG C 24.821 0.1 1 1187 107 109 LYS N N 129.439 0.1 1 1188 108 110 ARG H H 8.147 0.02 1 1189 108 110 ARG HA H 4.190 0.02 1 1190 108 110 ARG HB2 H 1.838 0.02 2 1191 108 110 ARG HB3 H 1.718 0.02 2 1192 108 110 ARG HD2 H 3.193 0.02 2 1193 108 110 ARG HD3 H 3.193 0.02 2 1194 108 110 ARG HG2 H 1.633 0.02 2 1195 108 110 ARG HG3 H 1.633 0.02 2 1196 108 110 ARG C C 181.115 0.1 1 1197 108 110 ARG CA C 57.748 0.1 1 1198 108 110 ARG CB C 31.832 0.1 1 1199 108 110 ARG CD C 43.809 0.1 1 1200 108 110 ARG CG C 27.624 0.1 1 1201 108 110 ARG N N 130.775 0.1 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 3D_15N-separated_NOESY 3D_13C-separated_NOESY '3D_13C-separated_NOESY (AROMATIC)' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'kI O18/O8 Y87H_2' _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 1 201 3 ASP H H 8.264 0.02 1 2 201 3 ASP HA H 4.584 0.02 1 3 201 3 ASP HB2 H 2.558 0.02 2 4 201 3 ASP HB3 H 2.475 0.02 2 5 201 3 ASP C C 176.028 0.1 1 6 201 3 ASP CA C 54.237 0.1 1 7 201 3 ASP CB C 41.107 0.1 1 8 201 3 ASP N N 124.201 0.1 1 9 202 4 ILE H H 8.722 0.02 1 10 202 4 ILE HA H 3.651 0.02 1 11 202 4 ILE HB H 1.698 0.02 1 12 202 4 ILE HD1 H 0.721 0.02 1 13 202 4 ILE HG12 H 0.700 0.02 2 14 202 4 ILE HG13 H 1.542 0.02 2 15 202 4 ILE HG2 H 0.790 0.02 1 16 202 4 ILE C C 176.080 0.1 1 17 202 4 ILE CA C 62.714 0.1 1 18 202 4 ILE CB C 38.024 0.1 1 19 202 4 ILE CD1 C 13.999 0.1 1 20 202 4 ILE CG1 C 28.429 0.1 1 21 202 4 ILE CG2 C 18.248 0.1 1 22 202 4 ILE N N 124.288 0.1 1 23 203 5 GLN H H 8.658 0.02 1 24 203 5 GLN HA H 4.475 0.02 1 25 203 5 GLN HB2 H 2.035 0.02 2 26 203 5 GLN HB3 H 1.952 0.02 2 27 203 5 GLN HE21 H 7.519 0.02 2 28 203 5 GLN HE22 H 6.848 0.02 2 29 203 5 GLN HG2 H 2.324 0.02 2 30 203 5 GLN HG3 H 2.324 0.02 2 31 203 5 GLN C C 175.475 0.1 1 32 203 5 GLN CA C 55.045 0.1 1 33 203 5 GLN CB C 30.714 0.1 1 34 203 5 GLN CG C 34.083 0.1 1 35 203 5 GLN N N 129.550 0.1 1 36 203 5 GLN NE2 N 113.000 0.1 1 37 204 6 MET H H 9.059 0.02 1 38 204 6 MET HA H 5.517 0.02 1 39 204 6 MET HB2 H 2.281 0.02 2 40 204 6 MET HB3 H 1.551 0.02 2 41 204 6 MET HE H 1.569 0.02 1 42 204 6 MET HG2 H 2.251 0.02 2 43 204 6 MET HG3 H 1.810 0.02 2 44 204 6 MET C C 176.486 0.1 1 45 204 6 MET CA C 51.903 0.1 1 46 204 6 MET CB C 30.771 0.1 1 47 204 6 MET CE C 16.618 0.1 1 48 204 6 MET CG C 30.836 0.1 1 49 204 6 MET N N 124.558 0.1 1 50 205 7 THR H H 9.536 0.02 1 51 205 7 THR HA H 4.672 0.02 1 52 205 7 THR HB H 4.126 0.02 1 53 205 7 THR HG2 H 1.219 0.02 1 54 205 7 THR C C 173.913 0.1 1 55 205 7 THR CA C 62.614 0.1 1 56 205 7 THR CB C 70.411 0.1 1 57 205 7 THR CG2 C 21.575 0.1 1 58 205 7 THR N N 120.530 0.1 1 59 206 8 GLN H H 9.563 0.02 1 60 206 8 GLN HA H 5.554 0.02 1 61 206 8 GLN HB2 H 2.091 0.02 2 62 206 8 GLN HB3 H 2.211 0.02 2 63 206 8 GLN HE21 H 7.740 0.02 2 64 206 8 GLN HE22 H 7.225 0.02 2 65 206 8 GLN HG2 H 2.754 0.02 2 66 206 8 GLN HG3 H 2.247 0.02 2 67 206 8 GLN C C 175.143 0.1 1 68 206 8 GLN CA C 54.732 0.1 1 69 206 8 GLN CB C 31.352 0.1 1 70 206 8 GLN CG C 34.617 0.1 1 71 206 8 GLN N N 132.232 0.1 1 72 207 9 SER H H 8.905 0.02 1 73 207 9 SER HA H 4.784 0.02 1 74 207 9 SER HB2 H 3.745 0.02 2 75 207 9 SER HB3 H 3.699 0.02 2 76 207 9 SER C C 171.384 0.1 1 77 207 9 SER CA C 56.000 0.1 1 78 207 9 SER CB C 65.497 0.1 1 79 207 9 SER N N 120.738 0.1 1 80 208 10 PRO HA H 5.165 0.02 1 81 208 10 PRO HB2 H 2.490 0.02 2 82 208 10 PRO HB3 H 2.615 0.02 2 83 208 10 PRO HD2 H 3.730 0.02 2 84 208 10 PRO HD3 H 3.785 0.02 2 85 208 10 PRO HG2 H 1.632 0.02 2 86 208 10 PRO HG3 H 2.198 0.02 2 87 208 10 PRO C C 176.138 0.1 1 88 208 10 PRO CA C 63.237 0.1 1 89 208 10 PRO CB C 35.110 0.1 1 90 208 10 PRO CD C 49.312 0.1 1 91 208 10 PRO CG C 25.679 0.1 1 92 209 11 SER H H 9.164 0.02 1 93 209 11 SER HA H 4.859 0.02 1 94 209 11 SER HB2 H 4.061 0.02 2 95 209 11 SER HB3 H 4.061 0.02 2 96 209 11 SER C C 175.807 0.1 1 97 209 11 SER CA C 61.074 0.1 1 98 209 11 SER CB C 63.411 0.1 1 99 209 11 SER N N 115.768 0.1 1 100 210 12 SER H H 7.777 0.02 1 101 210 12 SER HA H 5.303 0.02 1 102 210 12 SER HB2 H 3.905 0.02 2 103 210 12 SER HB3 H 3.905 0.02 2 104 210 12 SER C C 172.016 0.1 1 105 210 12 SER CA C 57.541 0.1 1 106 210 12 SER CB C 65.363 0.1 1 107 210 12 SER N N 115.659 0.1 1 108 211 13 LEU H H 8.702 0.02 1 109 211 13 LEU HA H 4.649 0.02 1 110 211 13 LEU HB2 H 1.628 0.02 2 111 211 13 LEU HB3 H 1.521 0.02 2 112 211 13 LEU HD1 H 0.952 0.02 2 113 211 13 LEU HD2 H 0.919 0.02 2 114 211 13 LEU HG H 1.551 0.02 1 115 211 13 LEU C C 174.243 0.1 1 116 211 13 LEU CA C 55.476 0.1 1 117 211 13 LEU CB C 46.728 0.1 1 118 211 13 LEU CD1 C 25.682 0.1 1 119 211 13 LEU CD2 C 25.975 0.1 1 120 211 13 LEU CG C 27.600 0.1 1 121 211 13 LEU N N 124.521 0.1 1 122 212 14 SER H H 8.517 0.02 1 123 212 14 SER HA H 5.401 0.02 1 124 212 14 SER HB2 H 3.647 0.02 2 125 212 14 SER HB3 H 3.647 0.02 2 126 212 14 SER C C 173.472 0.1 1 127 212 14 SER CA C 56.434 0.1 1 128 212 14 SER CB C 64.318 0.1 1 129 212 14 SER N N 119.919 0.1 1 130 213 15 ALA H H 8.592 0.02 1 131 213 15 ALA HA H 4.728 0.02 1 132 213 15 ALA HB H 1.345 0.02 1 133 213 15 ALA C C 175.112 0.1 1 134 213 15 ALA CA C 51.120 0.1 1 135 213 15 ALA CB C 23.142 0.1 1 136 213 15 ALA N N 128.057 0.1 1 137 214 16 SER H H 8.635 0.02 1 138 214 16 SER HA H 4.871 0.02 1 139 214 16 SER HB2 H 3.865 0.02 2 140 214 16 SER HB3 H 3.633 0.02 2 141 214 16 SER C C 173.754 0.1 1 142 214 16 SER CA C 57.975 0.1 1 143 214 16 SER CB C 64.685 0.1 1 144 214 16 SER N N 116.893 0.1 1 145 215 17 VAL H H 8.570 0.02 1 146 215 17 VAL HA H 3.479 0.02 1 147 215 17 VAL HB H 1.903 0.02 1 148 215 17 VAL HG1 H 0.980 0.02 2 149 215 17 VAL HG2 H 1.014 0.02 2 150 215 17 VAL C C 178.065 0.1 1 151 215 17 VAL CA C 65.386 0.1 1 152 215 17 VAL CB C 31.533 0.1 1 153 215 17 VAL CG1 C 23.419 0.1 1 154 215 17 VAL CG2 C 21.139 0.1 1 155 215 17 VAL N N 123.112 0.1 1 156 216 18 GLY H H 10.019 0.02 1 157 216 18 GLY HA2 H 4.324 0.02 2 158 216 18 GLY HA3 H 3.718 0.02 2 159 216 18 GLY C C 174.843 0.1 1 160 216 18 GLY CA C 44.654 0.1 1 161 216 18 GLY N N 118.071 0.1 1 162 217 19 ASP H H 8.066 0.02 1 163 217 19 ASP HA H 4.568 0.02 1 164 217 19 ASP HB2 H 2.861 0.02 2 165 217 19 ASP HB3 H 2.536 0.02 2 166 217 19 ASP C C 175.270 0.1 1 167 217 19 ASP CA C 55.159 0.1 1 168 217 19 ASP CB C 41.735 0.1 1 169 217 19 ASP N N 122.250 0.1 1 170 218 20 ARG H H 8.232 0.02 1 171 218 20 ARG HA H 4.856 0.02 1 172 218 20 ARG HB2 H 1.729 0.02 2 173 218 20 ARG HB3 H 1.645 0.02 2 174 218 20 ARG HD2 H 3.075 0.02 2 175 218 20 ARG HD3 H 3.075 0.02 2 176 218 20 ARG HG2 H 1.234 0.02 2 177 218 20 ARG HG3 H 1.447 0.02 2 178 218 20 ARG C C 176.839 0.1 1 179 218 20 ARG CA C 55.084 0.1 1 180 218 20 ARG CB C 31.374 0.1 1 181 218 20 ARG CD C 43.647 0.1 1 182 218 20 ARG CG C 27.978 0.1 1 183 218 20 ARG N N 120.872 0.1 1 184 219 21 VAL H H 8.631 0.02 1 185 219 21 VAL HA H 4.438 0.02 1 186 219 21 VAL HB H 1.777 0.02 1 187 219 21 VAL HG1 H 0.784 0.02 2 188 219 21 VAL HG2 H 0.769 0.02 2 189 219 21 VAL C C 173.864 0.1 1 190 219 21 VAL CA C 60.749 0.1 1 191 219 21 VAL CB C 35.796 0.1 1 192 219 21 VAL CG1 C 21.076 0.1 1 193 219 21 VAL CG2 C 21.622 0.1 1 194 219 21 VAL N N 125.438 0.1 1 195 220 22 THR H H 8.143 0.02 1 196 220 22 THR HA H 5.149 0.02 1 197 220 22 THR HB H 3.726 0.02 1 198 220 22 THR HG2 H 1.033 0.02 1 199 220 22 THR C C 173.102 0.1 1 200 220 22 THR CA C 61.665 0.1 1 201 220 22 THR CB C 71.837 0.1 1 202 220 22 THR CG2 C 21.995 0.1 1 203 220 22 THR N N 119.745 0.1 1 204 221 23 ILE H H 9.453 0.02 1 205 221 23 ILE HA H 4.603 0.02 1 206 221 23 ILE HB H 1.695 0.02 1 207 221 23 ILE HD1 H 0.613 0.02 1 208 221 23 ILE HG12 H 1.517 0.02 2 209 221 23 ILE HG13 H 1.001 0.02 2 210 221 23 ILE HG2 H 1.233 0.02 1 211 221 23 ILE C C 174.448 0.1 1 212 221 23 ILE CA C 60.865 0.1 1 213 221 23 ILE CB C 42.095 0.1 1 214 221 23 ILE CD1 C 13.705 0.1 1 215 221 23 ILE CG1 C 28.181 0.1 1 216 221 23 ILE CG2 C 18.756 0.1 1 217 221 23 ILE N N 127.194 0.1 1 218 222 24 THR H H 9.150 0.02 1 219 222 24 THR HA H 5.703 0.02 1 220 222 24 THR HB H 4.322 0.02 1 221 222 24 THR HG2 H 1.231 0.02 1 222 222 24 THR C C 175.064 0.1 1 223 222 24 THR CA C 60.886 0.1 1 224 222 24 THR CB C 72.285 0.1 1 225 222 24 THR CG2 C 21.631 0.1 1 226 222 24 THR N N 116.658 0.1 1 227 223 25 CYS H H 9.301 0.02 1 228 223 25 CYS HA H 5.396 0.02 1 229 223 25 CYS HB2 H 3.051 0.02 2 230 223 25 CYS HB3 H 2.740 0.02 2 231 223 25 CYS C C 172.253 0.1 1 232 223 25 CYS CA C 56.310 0.1 1 233 223 25 CYS CB C 49.592 0.1 1 234 223 25 CYS N N 121.068 0.1 1 235 224 26 GLN H H 9.033 0.02 1 236 224 26 GLN HA H 5.870 0.02 1 237 224 26 GLN HB2 H 2.112 0.02 2 238 224 26 GLN HB3 H 1.974 0.02 2 239 224 26 GLN HE21 H 8.102 0.02 2 240 224 26 GLN HE22 H 6.705 0.02 2 241 224 26 GLN HG2 H 2.470 0.02 2 242 224 26 GLN HG3 H 2.335 0.02 2 243 224 26 GLN C C 175.023 0.1 1 244 224 26 GLN CA C 53.907 0.1 1 245 224 26 GLN CB C 33.152 0.1 1 246 224 26 GLN CG C 34.869 0.1 1 247 224 26 GLN N N 123.993 0.1 1 248 224 26 GLN NE2 N 113.512 0.1 1 249 225 27 ALA H H 9.452 0.02 1 250 225 27 ALA HA H 5.500 0.02 1 251 225 27 ALA HB H 1.577 0.02 1 252 225 27 ALA C C 178.588 0.1 1 253 225 27 ALA CA C 50.672 0.1 1 254 225 27 ALA CB C 24.050 0.1 1 255 225 27 ALA N N 129.626 0.1 1 256 226 28 SER H H 8.167 0.02 1 257 226 28 SER HA H 4.175 0.02 1 258 226 28 SER HB2 H 4.320 0.02 2 259 226 28 SER HB3 H 4.014 0.02 2 260 226 28 SER C C 173.469 0.1 1 261 226 28 SER CA C 60.644 0.1 1 262 226 28 SER CB C 63.174 0.1 1 263 226 28 SER N N 113.920 0.1 1 264 227 29 GLN H H 7.408 0.02 1 265 227 29 GLN HA H 4.472 0.02 1 266 227 29 GLN HB2 H 2.135 0.02 2 267 227 29 GLN HB3 H 2.050 0.02 2 268 227 29 GLN HE21 H 7.916 0.02 2 269 227 29 GLN HE22 H 6.813 0.02 2 270 227 29 GLN HG2 H 1.840 0.02 2 271 227 29 GLN HG3 H 2.047 0.02 2 272 227 29 GLN C C 172.253 0.1 1 273 227 29 GLN CA C 53.810 0.1 1 274 227 29 GLN CB C 32.937 0.1 1 275 227 29 GLN CG C 33.149 0.1 1 276 227 29 GLN N N 116.557 0.1 1 277 227 29 GLN NE2 N 114.375 0.1 1 278 228 30 ASP H H 8.086 0.02 1 279 228 30 ASP HA H 4.010 0.02 1 280 228 30 ASP HB2 H 2.794 0.02 2 281 228 30 ASP HB3 H 2.475 0.02 2 282 228 30 ASP C C 177.339 0.1 1 283 228 30 ASP CA C 55.599 0.1 1 284 228 30 ASP CB C 41.714 0.1 1 285 228 30 ASP N N 117.814 0.1 1 286 229 31 ILE H H 8.792 0.02 1 287 229 31 ILE HA H 4.633 0.02 1 288 229 31 ILE HB H 2.289 0.02 1 289 229 31 ILE HD1 H 0.442 0.02 1 290 229 31 ILE HG12 H 1.284 0.02 2 291 229 31 ILE HG13 H 1.284 0.02 2 292 229 31 ILE HG2 H 0.894 0.02 1 293 229 31 ILE C C 175.112 0.1 1 294 229 31 ILE CA C 60.914 0.1 1 295 229 31 ILE CB C 39.192 0.1 1 296 229 31 ILE CD1 C 16.599 0.1 1 297 229 31 ILE CG1 C 26.771 0.1 1 298 229 31 ILE CG2 C 18.124 0.1 1 299 229 31 ILE N N 123.944 0.1 1 300 230 32 SER H H 8.972 0.02 1 301 230 32 SER HA H 3.868 0.02 1 302 230 32 SER HB2 H 3.731 0.02 2 303 230 32 SER HB3 H 3.731 0.02 2 304 230 32 SER C C 173.469 0.1 1 305 230 32 SER CA C 59.204 0.1 1 306 230 32 SER CB C 61.479 0.1 1 307 230 32 SER N N 115.964 0.1 1 308 231 33 ASN H H 7.498 0.02 1 309 231 33 ASN HA H 5.028 0.02 1 310 231 33 ASN HB2 H 2.987 0.02 2 311 231 33 ASN HB3 H 2.621 0.02 2 312 231 33 ASN HD21 H 7.165 0.02 2 313 231 33 ASN HD22 H 6.646 0.02 2 314 231 33 ASN C C 175.364 0.1 1 315 231 33 ASN CA C 51.482 0.1 1 316 231 33 ASN CB C 37.775 0.1 1 317 231 33 ASN N N 120.034 0.1 1 318 231 33 ASN ND2 N 110.100 0.1 1 319 232 34 TYR H H 7.969 0.02 1 320 232 34 TYR HA H 4.137 0.02 1 321 232 34 TYR HB2 H 2.619 0.02 2 322 232 34 TYR HB3 H 1.516 0.02 2 323 232 34 TYR HD1 H 7.094 0.02 1 324 232 34 TYR HD2 H 7.094 0.02 1 325 232 34 TYR HE1 H 6.873 0.02 1 326 232 34 TYR HE2 H 6.873 0.02 1 327 232 34 TYR C C 173.327 0.1 1 328 232 34 TYR CA C 56.056 0.1 1 329 232 34 TYR CB C 35.039 0.1 1 330 232 34 TYR CD1 C 133.344 0.1 1 331 232 34 TYR CE1 C 118.457 0.1 1 332 232 34 TYR N N 121.139 0.1 1 333 233 35 LEU H H 7.666 0.02 1 334 233 35 LEU HA H 4.675 0.02 1 335 233 35 LEU HB2 H 0.671 0.02 2 336 233 35 LEU HB3 H 0.156 0.02 2 337 233 35 LEU HD1 H -0.093 0.02 2 338 233 35 LEU HD2 H -0.158 0.02 2 339 233 35 LEU HG H 0.479 0.02 1 340 233 35 LEU C C 175.189 0.1 1 341 233 35 LEU CA C 53.132 0.1 1 342 233 35 LEU CB C 46.134 0.1 1 343 233 35 LEU CD1 C 25.084 0.1 1 344 233 35 LEU CD2 C 25.059 0.1 1 345 233 35 LEU CG C 25.432 0.1 1 346 233 35 LEU N N 123.993 0.1 1 347 234 36 ASN H H 8.862 0.02 1 348 234 36 ASN HA H 5.824 0.02 1 349 234 36 ASN HB2 H 2.470 0.02 2 350 234 36 ASN HB3 H 2.210 0.02 2 351 234 36 ASN HD21 H 6.639 0.02 2 352 234 36 ASN HD22 H 5.337 0.02 2 353 234 36 ASN C C 175.538 0.1 1 354 234 36 ASN CA C 50.896 0.1 1 355 234 36 ASN CB C 43.552 0.1 1 356 234 36 ASN N N 124.642 0.1 1 357 234 36 ASN ND2 N 107.305 0.1 1 358 235 37 TRP H H 8.982 0.02 1 359 235 37 TRP HA H 5.342 0.02 1 360 235 37 TRP HB2 H 2.767 0.02 2 361 235 37 TRP HB3 H 2.614 0.02 2 362 235 37 TRP HD1 H 6.660 0.02 1 363 235 37 TRP HE1 H 11.483 0.02 1 364 235 37 TRP HE3 H 6.857 0.02 1 365 235 37 TRP HH2 H 6.776 0.02 1 366 235 37 TRP HZ2 H 7.007 0.02 1 367 235 37 TRP HZ3 H 6.664 0.02 1 368 235 37 TRP C C 175.775 0.1 1 369 235 37 TRP CA C 56.639 0.1 1 370 235 37 TRP CB C 32.756 0.1 1 371 235 37 TRP CD1 C 125.576 0.1 1 372 235 37 TRP CE3 C 119.879 0.1 1 373 235 37 TRP CH2 C 126.341 0.1 1 374 235 37 TRP CZ2 C 114.150 0.1 1 375 235 37 TRP CZ3 C 121.372 0.1 1 376 235 37 TRP N N 117.297 0.1 1 377 235 37 TRP NE1 N 134.458 0.1 1 378 236 38 TYR H H 9.428 0.02 1 379 236 38 TYR HA H 5.340 0.02 1 380 236 38 TYR HB2 H 2.702 0.02 2 381 236 38 TYR HB3 H 2.616 0.02 2 382 236 38 TYR HD1 H 6.654 0.02 1 383 236 38 TYR HD2 H 6.654 0.02 1 384 236 38 TYR HE1 H 6.825 0.02 1 385 236 38 TYR HE2 H 6.825 0.02 1 386 236 38 TYR C C 174.654 0.1 1 387 236 38 TYR CA C 57.014 0.1 1 388 236 38 TYR CB C 43.873 0.1 1 389 236 38 TYR CD1 C 132.567 0.1 1 390 236 38 TYR CE1 C 118.962 0.1 1 391 236 38 TYR N N 119.638 0.1 1 392 237 39 GLN H H 9.266 0.02 1 393 237 39 GLN HA H 4.273 0.02 1 394 237 39 GLN HB2 H 1.824 0.02 2 395 237 39 GLN HB3 H 2.126 0.02 2 396 237 39 GLN HE21 H 8.009 0.02 2 397 237 39 GLN HE22 H 7.783 0.02 2 398 237 39 GLN HG2 H 1.470 0.02 2 399 237 39 GLN HG3 H 1.470 0.02 2 400 237 39 GLN C C 174.186 0.1 1 401 237 39 GLN CA C 54.275 0.1 1 402 237 39 GLN CB C 34.899 0.1 1 403 237 39 GLN CG C 36.098 0.1 1 404 237 39 GLN N N 120.447 0.1 1 405 237 39 GLN NE2 N 112.960 0.1 1 406 238 40 GLN H H 9.465 0.02 1 407 238 40 GLN HA H 4.824 0.02 1 408 238 40 GLN HB2 H 2.216 0.02 2 409 238 40 GLN HB3 H 1.582 0.02 2 410 238 40 GLN HE21 H 7.598 0.02 2 411 238 40 GLN HE22 H 6.690 0.02 2 412 238 40 GLN HG2 H 2.212 0.02 2 413 238 40 GLN HG3 H 2.052 0.02 2 414 238 40 GLN C C 174.855 0.1 1 415 238 40 GLN CA C 55.500 0.1 1 416 238 40 GLN CB C 30.913 0.1 1 417 238 40 GLN CG C 33.898 0.1 1 418 238 40 GLN N N 129.689 0.1 1 419 238 40 GLN NE2 N 111.606 0.1 1 420 239 41 LYS H H 8.988 0.02 1 421 239 41 LYS HA H 4.638 0.02 1 422 239 41 LYS HB2 H 1.470 0.02 2 423 239 41 LYS HB3 H 1.938 0.02 2 424 239 41 LYS HD2 H 1.772 0.02 2 425 239 41 LYS HD3 H 1.689 0.02 2 426 239 41 LYS HE2 H 2.889 0.02 2 427 239 41 LYS HE3 H 3.089 0.02 2 428 239 41 LYS HG2 H 1.371 0.02 2 429 239 41 LYS HG3 H 1.496 0.02 2 430 239 41 LYS C C 173.518 0.1 1 431 239 41 LYS CA C 55.139 0.1 1 432 239 41 LYS CB C 32.480 0.1 1 433 239 41 LYS CD C 29.890 0.1 1 434 239 41 LYS CE C 42.353 0.1 1 435 239 41 LYS CG C 26.977 0.1 1 436 239 41 LYS N N 131.568 0.1 1 437 240 42 PRO HA H 4.305 0.02 1 438 240 42 PRO HB2 H 2.280 0.02 2 439 240 42 PRO HB3 H 1.907 0.02 2 440 240 42 PRO HD2 H 3.881 0.02 2 441 240 42 PRO HD3 H 3.637 0.02 2 442 240 42 PRO HG2 H 2.147 0.02 2 443 240 42 PRO HG3 H 2.005 0.02 2 444 240 42 PRO C C 178.426 0.1 1 445 240 42 PRO CA C 64.400 0.1 1 446 240 42 PRO CB C 31.911 0.1 1 447 240 42 PRO CD C 50.730 0.1 1 448 240 42 PRO CG C 28.201 0.1 1 449 241 43 GLY H H 8.835 0.02 1 450 241 43 GLY HA2 H 4.086 0.02 2 451 241 43 GLY HA3 H 3.761 0.02 2 452 241 43 GLY C C 173.880 0.1 1 453 241 43 GLY CA C 46.062 0.1 1 454 241 43 GLY N N 112.825 0.1 1 455 242 44 LYS H H 7.838 0.02 1 456 242 44 LYS HA H 4.810 0.02 1 457 242 44 LYS HB2 H 1.796 0.02 2 458 242 44 LYS HB3 H 1.906 0.02 2 459 242 44 LYS HD2 H 1.694 0.02 2 460 242 44 LYS HD3 H 1.607 0.02 2 461 242 44 LYS HE2 H 3.033 0.02 2 462 242 44 LYS HE3 H 2.973 0.02 2 463 242 44 LYS HG2 H 1.347 0.02 2 464 242 44 LYS HG3 H 1.277 0.02 2 465 242 44 LYS C C 175.649 0.1 1 466 242 44 LYS CA C 53.545 0.1 1 467 242 44 LYS CB C 35.571 0.1 1 468 242 44 LYS CD C 28.571 0.1 1 469 242 44 LYS CE C 42.539 0.1 1 470 242 44 LYS CG C 24.681 0.1 1 471 242 44 LYS N N 119.308 0.1 1 472 243 45 ALA H H 8.321 0.02 1 473 243 45 ALA HA H 4.313 0.02 1 474 243 45 ALA HB H 1.272 0.02 1 475 243 45 ALA C C 176.276 0.1 1 476 243 45 ALA CA C 50.837 0.1 1 477 243 45 ALA CB C 17.620 0.1 1 478 243 45 ALA N N 123.689 0.1 1 479 244 46 PRO HA H 4.392 0.02 1 480 244 46 PRO HB2 H 1.570 0.02 2 481 244 46 PRO HB3 H 1.889 0.02 2 482 244 46 PRO HD2 H 3.360 0.02 2 483 244 46 PRO HD3 H 3.097 0.02 2 484 244 46 PRO HG2 H 1.643 0.02 2 485 244 46 PRO HG3 H 1.486 0.02 2 486 244 46 PRO C C 175.570 0.1 1 487 244 46 PRO CA C 63.443 0.1 1 488 244 46 PRO CB C 32.169 0.1 1 489 244 46 PRO CD C 49.960 0.1 1 490 244 46 PRO CG C 27.948 0.1 1 491 245 47 LYS H H 8.868 0.02 1 492 245 47 LYS HA H 4.687 0.02 1 493 245 47 LYS HB2 H 1.906 0.02 2 494 245 47 LYS HB3 H 1.815 0.02 2 495 245 47 LYS HD2 H 1.640 0.02 2 496 245 47 LYS HD3 H 1.640 0.02 2 497 245 47 LYS HE2 H 2.814 0.02 2 498 245 47 LYS HE3 H 2.814 0.02 2 499 245 47 LYS HG2 H 1.430 0.02 2 500 245 47 LYS HG3 H 1.242 0.02 2 501 245 47 LYS C C 175.534 0.1 1 502 245 47 LYS CA C 54.522 0.1 1 503 245 47 LYS CB C 35.964 0.1 1 504 245 47 LYS CD C 29.255 0.1 1 505 245 47 LYS CE C 42.498 0.1 1 506 245 47 LYS CG C 25.076 0.1 1 507 245 47 LYS N N 123.588 0.1 1 508 246 48 LEU H H 8.865 0.02 1 509 246 48 LEU HA H 3.724 0.02 1 510 246 48 LEU HB2 H 1.298 0.02 2 511 246 48 LEU HB3 H 1.800 0.02 2 512 246 48 LEU HD1 H 0.754 0.02 2 513 246 48 LEU HD2 H 0.403 0.02 2 514 246 48 LEU HG H 1.089 0.02 1 515 246 48 LEU C C 175.191 0.1 1 516 246 48 LEU CA C 56.509 0.1 1 517 246 48 LEU CB C 42.679 0.1 1 518 246 48 LEU CD1 C 26.329 0.1 1 519 246 48 LEU CD2 C 23.101 0.1 1 520 246 48 LEU CG C 27.476 0.1 1 521 246 48 LEU N N 129.956 0.1 1 522 247 49 LEU H H 8.888 0.02 1 523 247 49 LEU HA H 4.824 0.02 1 524 247 49 LEU HB2 H 1.684 0.02 2 525 247 49 LEU HB3 H 1.307 0.02 2 526 247 49 LEU HD1 H 0.593 0.02 2 527 247 49 LEU HD2 H 0.637 0.02 2 528 247 49 LEU HG H 1.717 0.02 1 529 247 49 LEU C C 175.854 0.1 1 530 247 49 LEU CA C 55.464 0.1 1 531 247 49 LEU CB C 45.556 0.1 1 532 247 49 LEU CD1 C 22.788 0.1 1 533 247 49 LEU CD2 C 27.849 0.1 1 534 247 49 LEU CG C 26.667 0.1 1 535 247 49 LEU N N 124.671 0.1 1 536 248 50 ILE H H 7.270 0.02 1 537 248 50 ILE HA H 5.291 0.02 1 538 248 50 ILE HB H 1.847 0.02 1 539 248 50 ILE HD1 H 0.636 0.02 1 540 248 50 ILE HG12 H 1.192 0.02 2 541 248 50 ILE HG13 H 1.471 0.02 2 542 248 50 ILE HG2 H 0.772 0.02 1 543 248 50 ILE C C 173.833 0.1 1 544 248 50 ILE CA C 58.285 0.1 1 545 248 50 ILE CB C 42.874 0.1 1 546 248 50 ILE CD1 C 13.082 0.1 1 547 248 50 ILE CG1 C 27.967 0.1 1 548 248 50 ILE CG2 C 17.566 0.1 1 549 248 50 ILE N N 117.128 0.1 1 550 249 51 TYR H H 9.236 0.02 1 551 249 51 TYR HA H 6.072 0.02 1 552 249 51 TYR HB2 H 3.126 0.02 2 553 249 51 TYR HB3 H 2.693 0.02 2 554 249 51 TYR HD1 H 6.916 0.02 1 555 249 51 TYR HD2 H 6.916 0.02 1 556 249 51 TYR HE1 H 6.670 0.02 1 557 249 51 TYR HE2 H 6.670 0.02 1 558 249 51 TYR C C 174.559 0.1 1 559 249 51 TYR CA C 54.544 0.1 1 560 249 51 TYR CB C 43.192 0.1 1 561 249 51 TYR CD1 C 134.164 0.1 1 562 249 51 TYR CE1 C 118.444 0.1 1 563 249 51 TYR N N 123.218 0.1 1 564 250 52 ASP H H 8.590 0.02 1 565 250 52 ASP HA H 5.219 0.02 1 566 250 52 ASP HB2 H 2.717 0.02 2 567 250 52 ASP HB3 H 2.982 0.02 2 568 250 52 ASP C C 178.697 0.1 1 569 250 52 ASP CA C 55.778 0.1 1 570 250 52 ASP CB C 39.763 0.1 1 571 250 52 ASP N N 122.683 0.1 1 572 251 53 ALA H H 9.501 0.02 1 573 251 53 ALA HA H 3.768 0.02 1 574 251 53 ALA HB H 1.891 0.02 1 575 251 53 ALA C C 179.944 0.1 1 576 251 53 ALA CA C 57.789 0.1 1 577 251 53 ALA CB C 19.865 0.1 1 578 251 53 ALA N N 114.912 0.1 1 579 252 54 SER H H 8.628 0.02 1 580 252 54 SER HA H 4.746 0.02 1 581 252 54 SER HB2 H 4.145 0.02 2 582 252 54 SER HB3 H 3.717 0.02 2 583 252 54 SER C C 174.954 0.1 1 584 252 54 SER CA C 58.051 0.1 1 585 252 54 SER CB C 66.823 0.1 1 586 252 54 SER N N 111.142 0.1 1 587 253 55 ASN H H 8.460 0.02 1 588 253 55 ASN HA H 4.792 0.02 1 589 253 55 ASN HB2 H 1.621 0.02 2 590 253 55 ASN HB3 H 1.863 0.02 2 591 253 55 ASN HD21 H 6.467 0.02 2 592 253 55 ASN HD22 H 7.230 0.02 2 593 253 55 ASN C C 172.806 0.1 1 594 253 55 ASN CA C 53.172 0.1 1 595 253 55 ASN CB C 38.964 0.1 1 596 253 55 ASN N N 123.493 0.1 1 597 253 55 ASN ND2 N 114.647 0.1 1 598 254 56 LEU H H 8.620 0.02 1 599 254 56 LEU HA H 4.614 0.02 1 600 254 56 LEU HB2 H 1.617 0.02 2 601 254 56 LEU HB3 H 1.763 0.02 2 602 254 56 LEU HD1 H 0.986 0.02 2 603 254 56 LEU HD2 H 0.922 0.02 2 604 254 56 LEU HG H 1.726 0.02 1 605 254 56 LEU C C 178.568 0.1 1 606 254 56 LEU CA C 56.031 0.1 1 607 254 56 LEU CB C 43.543 0.1 1 608 254 56 LEU CD1 C 24.730 0.1 1 609 254 56 LEU CD2 C 25.035 0.1 1 610 254 56 LEU CG C 28.966 0.1 1 611 254 56 LEU N N 125.278 0.1 1 612 255 57 GLU H H 8.188 0.02 1 613 255 57 GLU HA H 4.779 0.02 1 614 255 57 GLU HB2 H 1.791 0.02 2 615 255 57 GLU HB3 H 2.042 0.02 2 616 255 57 GLU HG2 H 2.522 0.02 2 617 255 57 GLU HG3 H 2.233 0.02 2 618 255 57 GLU C C 176.344 0.1 1 619 255 57 GLU CA C 56.787 0.1 1 620 255 57 GLU CB C 30.897 0.1 1 621 255 57 GLU CG C 36.652 0.1 1 622 255 57 GLU N N 125.719 0.1 1 623 256 58 THR H H 8.861 0.02 1 624 256 58 THR HA H 4.052 0.02 1 625 256 58 THR HB H 4.056 0.02 1 626 256 58 THR HG2 H 1.284 0.02 1 627 256 58 THR C C 176.107 0.1 1 628 256 58 THR CA C 64.838 0.1 1 629 256 58 THR CB C 69.392 0.1 1 630 256 58 THR CG2 C 22.145 0.1 1 631 256 58 THR N N 120.135 0.1 1 632 257 59 GLY H H 9.002 0.02 1 633 257 59 GLY HA2 H 4.210 0.02 2 634 257 59 GLY HA3 H 3.725 0.02 2 635 257 59 GLY C C 174.385 0.1 1 636 257 59 GLY CA C 45.709 0.1 1 637 257 59 GLY N N 115.341 0.1 1 638 258 60 VAL H H 7.663 0.02 1 639 258 60 VAL HA H 4.314 0.02 1 640 258 60 VAL HB H 2.331 0.02 1 641 258 60 VAL HG1 H 1.217 0.02 2 642 258 60 VAL HG2 H 1.140 0.02 2 643 258 60 VAL C C 174.499 0.1 1 644 258 60 VAL CA C 61.040 0.1 1 645 258 60 VAL CB C 33.127 0.1 1 646 258 60 VAL CG1 C 22.327 0.1 1 647 258 60 VAL CG2 C 24.063 0.1 1 648 258 60 VAL N N 125.031 0.1 1 649 259 61 PRO HA H 4.526 0.02 1 650 259 61 PRO HB2 H 1.841 0.02 2 651 259 61 PRO HB3 H 2.484 0.02 2 652 259 61 PRO HD2 H 3.766 0.02 2 653 259 61 PRO HD3 H 4.088 0.02 2 654 259 61 PRO HG2 H 2.126 0.02 2 655 259 61 PRO HG3 H 2.054 0.02 2 656 259 61 PRO C C 176.689 0.1 1 657 259 61 PRO CA C 63.437 0.1 1 658 259 61 PRO CB C 33.809 0.1 1 659 259 61 PRO CD C 51.872 0.1 1 660 259 61 PRO CG C 27.948 0.1 1 661 260 62 SER H H 8.394 0.02 1 662 260 62 SER HA H 4.265 0.02 1 663 260 62 SER HB2 H 4.090 0.02 2 664 260 62 SER HB3 H 3.955 0.02 2 665 260 62 SER CA C 60.392 0.1 1 666 260 62 SER CB C 63.289 0.1 1 667 260 62 SER N N 113.945 0.1 1 668 261 63 ARG H H 6.917 0.02 1 669 261 63 ARG HA H 4.265 0.02 1 670 261 63 ARG HB2 H 1.685 0.02 2 671 261 63 ARG HB3 H 1.763 0.02 2 672 261 63 ARG HD2 H 3.084 0.02 2 673 261 63 ARG HD3 H 3.084 0.02 2 674 261 63 ARG HG2 H 1.236 0.02 2 675 261 63 ARG HG3 H 1.236 0.02 2 676 261 63 ARG C C 175.317 0.1 1 677 261 63 ARG CA C 56.781 0.1 1 678 261 63 ARG CB C 29.820 0.1 1 679 261 63 ARG CD C 42.572 0.1 1 680 261 63 ARG CG C 27.300 0.1 1 681 261 63 ARG N N 116.209 0.1 1 682 262 64 PHE H H 7.650 0.02 1 683 262 64 PHE HA H 4.972 0.02 1 684 262 64 PHE HB2 H 3.077 0.02 2 685 262 64 PHE HB3 H 2.612 0.02 2 686 262 64 PHE HD1 H 7.220 0.02 1 687 262 64 PHE HD2 H 7.220 0.02 1 688 262 64 PHE HE1 H 7.258 0.02 1 689 262 64 PHE HE2 H 7.258 0.02 1 690 262 64 PHE HZ H 7.448 0.02 1 691 262 64 PHE C C 174.093 0.1 1 692 262 64 PHE CA C 56.777 0.1 1 693 262 64 PHE CB C 40.033 0.1 1 694 262 64 PHE CD1 C 132.050 0.1 1 695 262 64 PHE CE1 C 130.794 0.1 1 696 262 64 PHE CZ C 130.755 0.1 1 697 262 64 PHE N N 121.992 0.1 1 698 263 65 SER H H 8.362 0.02 1 699 263 65 SER HA H 4.501 0.02 1 700 263 65 SER HB2 H 3.745 0.02 2 701 263 65 SER HB3 H 3.699 0.02 2 702 263 65 SER C C 171.763 0.1 1 703 263 65 SER CA C 57.728 0.1 1 704 263 65 SER CB C 65.834 0.1 1 705 263 65 SER N N 112.000 0.1 1 706 264 66 GLY H H 8.599 0.02 1 707 264 66 GLY HA2 H 3.874 0.02 2 708 264 66 GLY HA3 H 5.246 0.02 2 709 264 66 GLY C C 172.773 0.1 1 710 264 66 GLY CA C 44.779 0.1 1 711 264 66 GLY N N 107.351 0.1 1 712 265 67 SER H H 8.987 0.02 1 713 265 67 SER HA H 4.782 0.02 1 714 265 67 SER HB2 H 3.823 0.02 2 715 265 67 SER HB3 H 3.717 0.02 2 716 265 67 SER C C 174.168 0.1 1 717 265 67 SER CA C 57.728 0.1 1 718 265 67 SER CB C 66.480 0.1 1 719 265 67 SER N N 114.240 0.1 1 720 266 68 GLY H H 8.397 0.02 1 721 266 68 GLY HA2 H 3.713 0.02 2 722 266 68 GLY HA3 H 4.857 0.02 2 723 266 68 GLY C C 171.880 0.1 1 724 266 68 GLY CA C 45.137 0.1 1 725 266 68 GLY N N 111.818 0.1 1 726 267 69 SER H H 6.995 0.02 1 727 267 69 SER HA H 4.354 0.02 1 728 267 69 SER HB2 H 3.703 0.02 2 729 267 69 SER HB3 H 3.671 0.02 2 730 267 69 SER C C 174.082 0.1 1 731 267 69 SER CA C 58.415 0.1 1 732 267 69 SER CB C 64.898 0.1 1 733 267 69 SER N N 109.747 0.1 1 734 268 70 GLY H H 9.182 0.02 1 735 268 70 GLY HA2 H 3.950 0.02 2 736 268 70 GLY HA3 H 4.267 0.02 2 737 268 70 GLY C C 172.646 0.1 1 738 268 70 GLY CA C 47.034 0.1 1 739 268 70 GLY N N 113.732 0.1 1 740 269 71 THR H H 8.197 0.02 1 741 269 71 THR HA H 4.749 0.02 1 742 269 71 THR HB H 4.635 0.02 1 743 269 71 THR HG2 H 0.934 0.02 1 744 269 71 THR C C 174.101 0.1 1 745 269 71 THR CA C 61.643 0.1 1 746 269 71 THR CB C 71.349 0.1 1 747 269 71 THR CG2 C 20.635 0.1 1 748 269 71 THR N N 112.684 0.1 1 749 270 72 ASP H H 7.169 0.02 1 750 270 72 ASP HA H 5.261 0.02 1 751 270 72 ASP HB2 H 2.508 0.02 2 752 270 72 ASP HB3 H 2.462 0.02 2 753 270 72 ASP C C 173.848 0.1 1 754 270 72 ASP CA C 54.888 0.1 1 755 270 72 ASP CB C 43.313 0.1 1 756 270 72 ASP N N 122.024 0.1 1 757 271 73 PHE H H 8.835 0.02 1 758 271 73 PHE HA H 5.226 0.02 1 759 271 73 PHE HB2 H 2.898 0.02 2 760 271 73 PHE HB3 H 3.577 0.02 2 761 271 73 PHE HD1 H 7.148 0.02 1 762 271 73 PHE HD2 H 7.148 0.02 1 763 271 73 PHE HE1 H 6.857 0.02 1 764 271 73 PHE HE2 H 6.857 0.02 1 765 271 73 PHE HZ H 7.313 0.02 1 766 271 73 PHE C C 176.091 0.1 1 767 271 73 PHE CA C 57.733 0.1 1 768 271 73 PHE CB C 43.123 0.1 1 769 271 73 PHE CD1 C 132.475 0.1 1 770 271 73 PHE CE1 C 130.755 0.1 1 771 271 73 PHE CZ C 130.496 0.1 1 772 271 73 PHE N N 122.325 0.1 1 773 272 74 THR H H 9.010 0.02 1 774 272 74 THR HA H 5.298 0.02 1 775 272 74 THR HB H 3.856 0.02 1 776 272 74 THR HG2 H 1.054 0.02 1 777 272 74 THR C C 171.831 0.1 1 778 272 74 THR CA C 61.639 0.1 1 779 272 74 THR CB C 72.487 0.1 1 780 272 74 THR CG2 C 22.085 0.1 1 781 272 74 THR N N 116.293 0.1 1 782 273 75 PHE H H 9.055 0.02 1 783 273 75 PHE HA H 4.689 0.02 1 784 273 75 PHE HB2 H 0.159 0.02 2 785 273 75 PHE HB3 H 1.321 0.02 2 786 273 75 PHE HD1 H 6.095 0.02 1 787 273 75 PHE HD2 H 6.095 0.02 1 788 273 75 PHE HE1 H 6.326 0.02 1 789 273 75 PHE HE2 H 6.326 0.02 1 790 273 75 PHE HZ H 6.571 0.02 1 791 273 75 PHE C C 173.280 0.1 1 792 273 75 PHE CA C 55.947 0.1 1 793 273 75 PHE CB C 39.619 0.1 1 794 273 75 PHE CD1 C 131.273 0.1 1 795 273 75 PHE CE1 C 129.201 0.1 1 796 273 75 PHE CZ C 129.082 0.1 1 797 273 75 PHE N N 129.404 0.1 1 798 274 76 THR H H 8.321 0.02 1 799 274 76 THR HA H 5.066 0.02 1 800 274 76 THR HB H 3.417 0.02 1 801 274 76 THR HG2 H 0.763 0.02 1 802 274 76 THR C C 172.853 0.1 1 803 274 76 THR CA C 60.592 0.1 1 804 274 76 THR CB C 72.017 0.1 1 805 274 76 THR CG2 C 20.829 0.1 1 806 274 76 THR N N 122.615 0.1 1 807 275 77 ILE H H 8.394 0.02 1 808 275 77 ILE HA H 4.177 0.02 1 809 275 77 ILE HB H 1.374 0.02 1 810 275 77 ILE HD1 H 0.493 0.02 1 811 275 77 ILE HG12 H 0.973 0.02 2 812 275 77 ILE HG13 H 0.484 0.02 2 813 275 77 ILE HG2 H 0.370 0.02 1 814 275 77 ILE C C 176.659 0.1 1 815 275 77 ILE CA C 60.249 0.1 1 816 275 77 ILE CB C 39.502 0.1 1 817 275 77 ILE CD1 C 13.686 0.1 1 818 275 77 ILE CG1 C 26.499 0.1 1 819 275 77 ILE CG2 C 17.223 0.1 1 820 275 77 ILE N N 123.894 0.1 1 821 276 78 SER H H 9.129 0.02 1 822 276 78 SER HA H 3.823 0.02 1 823 276 78 SER HB2 H 3.759 0.02 2 824 276 78 SER HB3 H 3.759 0.02 2 825 276 78 SER C C 174.093 0.1 1 826 276 78 SER CA C 61.000 0.1 1 827 276 78 SER CB C 62.812 0.1 1 828 276 78 SER N N 121.937 0.1 1 829 277 79 SER H H 6.108 0.02 1 830 277 79 SER HA H 3.908 0.02 1 831 277 79 SER HB2 H 3.559 0.02 2 832 277 79 SER HB3 H 3.559 0.02 2 833 277 79 SER C C 173.904 0.1 1 834 277 79 SER CA C 56.689 0.1 1 835 277 79 SER CB C 62.728 0.1 1 836 277 79 SER N N 113.394 0.1 1 837 278 80 LEU H H 8.964 0.02 1 838 278 80 LEU HA H 3.912 0.02 1 839 278 80 LEU HB2 H 1.838 0.02 2 840 278 80 LEU HB3 H 1.384 0.02 2 841 278 80 LEU HD1 H 0.903 0.02 2 842 278 80 LEU HD2 H 0.610 0.02 2 843 278 80 LEU HG H 1.494 0.02 1 844 278 80 LEU C C 176.353 0.1 1 845 278 80 LEU CA C 57.299 0.1 1 846 278 80 LEU CB C 42.706 0.1 1 847 278 80 LEU CD1 C 27.300 0.1 1 848 278 80 LEU CD2 C 27.032 0.1 1 849 278 80 LEU CG C 26.653 0.1 1 850 278 80 LEU N N 128.180 0.1 1 851 279 81 GLN H H 9.054 0.02 1 852 279 81 GLN HA H 4.884 0.02 1 853 279 81 GLN HB2 H 2.442 0.02 2 854 279 81 GLN HB3 H 1.566 0.02 2 855 279 81 GLN HE21 H 6.884 0.02 2 856 279 81 GLN HE22 H 6.814 0.02 2 857 279 81 GLN HG2 H 2.509 0.02 2 858 279 81 GLN HG3 H 2.199 0.02 2 859 279 81 GLN C C 175.003 0.1 1 860 279 81 GLN CA C 52.873 0.1 1 861 279 81 GLN CB C 29.890 0.1 1 862 279 81 GLN CG C 33.256 0.1 1 863 279 81 GLN N N 126.207 0.1 1 864 279 81 GLN NE2 N 114.426 0.1 1 865 280 82 PRO HA H 4.052 0.02 1 866 280 82 PRO HB2 H 1.982 0.02 2 867 280 82 PRO HB3 H 2.396 0.02 2 868 280 82 PRO HD2 H 3.890 0.02 2 869 280 82 PRO HD3 H 3.660 0.02 2 870 280 82 PRO HG2 H 1.948 0.02 2 871 280 82 PRO HG3 H 2.281 0.02 2 872 280 82 PRO C C 178.665 0.1 1 873 280 82 PRO CA C 66.447 0.1 1 874 280 82 PRO CB C 31.934 0.1 1 875 280 82 PRO CD C 50.607 0.1 1 876 280 82 PRO CG C 28.384 0.1 1 877 281 83 GLU H H 9.384 0.02 1 878 281 83 GLU HA H 4.342 0.02 1 879 281 83 GLU HB2 H 2.176 0.02 2 880 281 83 GLU HB3 H 2.080 0.02 2 881 281 83 GLU HG2 H 2.270 0.02 2 882 281 83 GLU HG3 H 2.187 0.02 2 883 281 83 GLU C C 176.296 0.1 1 884 281 83 GLU CA C 57.994 0.1 1 885 281 83 GLU CB C 28.623 0.1 1 886 281 83 GLU CG C 35.777 0.1 1 887 281 83 GLU N N 114.618 0.1 1 888 282 84 ASP H H 8.372 0.02 1 889 282 84 ASP HA H 4.631 0.02 1 890 282 84 ASP HB2 H 3.102 0.02 2 891 282 84 ASP HB3 H 2.986 0.02 2 892 282 84 ASP C C 177.702 0.1 1 893 282 84 ASP CA C 54.587 0.1 1 894 282 84 ASP CB C 41.449 0.1 1 895 282 84 ASP N N 120.870 0.1 1 896 283 85 ILE H H 7.209 0.02 1 897 283 85 ILE HA H 3.838 0.02 1 898 283 85 ILE HB H 2.052 0.02 1 899 283 85 ILE HD1 H 0.885 0.02 1 900 283 85 ILE HG12 H 1.704 0.02 2 901 283 85 ILE HG13 H 1.461 0.02 2 902 283 85 ILE HG2 H 1.152 0.02 1 903 283 85 ILE C C 175.067 0.1 1 904 283 85 ILE CA C 63.576 0.1 1 905 283 85 ILE CB C 36.744 0.1 1 906 283 85 ILE CD1 C 12.578 0.1 1 907 283 85 ILE CG1 C 27.814 0.1 1 908 283 85 ILE CG2 C 17.610 0.1 1 909 283 85 ILE N N 121.902 0.1 1 910 284 86 ALA H H 7.838 0.02 1 911 284 86 ALA HA H 4.491 0.02 1 912 284 86 ALA HB H 1.055 0.02 1 913 284 86 ALA C C 175.285 0.1 1 914 284 86 ALA CA C 51.953 0.1 1 915 284 86 ALA CB C 21.076 0.1 1 916 284 86 ALA N N 128.716 0.1 1 917 285 87 THR H H 7.971 0.02 1 918 285 87 THR HA H 5.442 0.02 1 919 285 87 THR HB H 3.945 0.02 1 920 285 87 THR HG2 H 0.938 0.02 1 921 285 87 THR C C 173.548 0.1 1 922 285 87 THR CA C 62.040 0.1 1 923 285 87 THR CB C 69.898 0.1 1 924 285 87 THR CG2 C 22.300 0.1 1 925 285 87 THR N N 113.888 0.1 1 926 286 88 TYR H H 8.806 0.02 1 927 286 88 TYR HA H 5.480 0.02 1 928 286 88 TYR HB2 H 2.554 0.02 2 929 286 88 TYR HB3 H 2.554 0.02 2 930 286 88 TYR HD1 H 6.804 0.02 1 931 286 88 TYR HD2 H 6.804 0.02 1 932 286 88 TYR HE1 H 6.781 0.02 1 933 286 88 TYR HE2 H 6.781 0.02 1 934 286 88 TYR HH H 10.650 0.02 1 935 286 88 TYR C C 176.707 0.1 1 936 286 88 TYR CA C 57.066 0.1 1 937 286 88 TYR CB C 42.212 0.1 1 938 286 88 TYR CD1 C 133.603 0.1 1 939 286 88 TYR CE1 C 117.800 0.1 1 940 286 88 TYR N N 125.229 0.1 1 941 287 89 HIS H H 9.033 0.02 1 942 287 89 HIS HA H 5.519 0.02 1 943 287 89 HIS HB2 H 3.163 0.02 2 944 287 89 HIS HB3 H 2.829 0.02 2 945 287 89 HIS HD2 H 6.070 0.02 1 946 287 89 HIS HE1 H 7.265 0.02 1 947 287 89 HIS C C 174.128 0.1 1 948 287 89 HIS CA C 56.757 0.1 1 949 287 89 HIS CB C 36.216 0.1 1 950 287 89 HIS CD2 C 120.915 0.1 1 951 287 89 HIS CE1 C 138.653 0.1 1 952 287 89 HIS N N 120.908 0.1 1 953 288 90 CYS H H 7.219 0.02 1 954 288 90 CYS HA H 5.326 0.02 1 955 288 90 CYS HB2 H 2.265 0.02 2 956 288 90 CYS HB3 H 1.049 0.02 2 957 288 90 CYS C C 172.616 0.1 1 958 288 90 CYS CA C 52.512 0.1 1 959 288 90 CYS CB C 45.723 0.1 1 960 288 90 CYS N N 110.904 0.1 1 961 289 91 GLN H H 8.611 0.02 1 962 289 91 GLN HA H 4.842 0.02 1 963 289 91 GLN HB2 H 1.677 0.02 2 964 289 91 GLN HB3 H 1.086 0.02 2 965 289 91 GLN HG2 H 1.803 0.02 2 966 289 91 GLN HG3 H 1.254 0.02 2 967 289 91 GLN C C 174.263 0.1 1 968 289 91 GLN CA C 54.486 0.1 1 969 289 91 GLN CB C 32.200 0.1 1 970 289 91 GLN CG C 33.800 0.1 1 971 289 91 GLN N N 122.044 0.1 1 972 290 92 GLN H H 8.448 0.02 1 973 290 92 GLN HA H 5.233 0.02 1 974 290 92 GLN HB2 H 1.810 0.02 2 975 290 92 GLN HB3 H 2.480 0.02 2 976 290 92 GLN HE21 H 7.555 0.02 2 977 290 92 GLN HE22 H 7.223 0.02 2 978 290 92 GLN HG2 H 2.794 0.02 2 979 290 92 GLN HG3 H 2.140 0.02 2 980 290 92 GLN C C 175.317 0.1 1 981 290 92 GLN CA C 53.118 0.1 1 982 290 92 GLN CB C 29.640 0.1 1 983 290 92 GLN CG C 31.628 0.1 1 984 290 92 GLN N N 125.845 0.1 1 985 290 92 GLN NE2 N 111.321 0.1 1 986 291 93 TYR H H 7.469 0.02 1 987 291 93 TYR HA H 4.189 0.02 1 988 291 93 TYR HB2 H 2.237 0.02 2 989 291 93 TYR HB3 H 1.270 0.02 2 990 291 93 TYR HD1 H 6.490 0.02 1 991 291 93 TYR HD2 H 6.490 0.02 1 992 291 93 TYR HE1 H 6.605 0.02 1 993 291 93 TYR HE2 H 6.605 0.02 1 994 291 93 TYR C C 174.291 0.1 1 995 291 93 TYR CA C 55.679 0.1 1 996 291 93 TYR CB C 35.449 0.1 1 997 291 93 TYR CD1 C 134.218 0.1 1 998 291 93 TYR CE1 C 118.843 0.1 1 999 291 93 TYR N N 117.921 0.1 1 1000 292 94 ASP H H 8.676 0.02 1 1001 292 94 ASP HA H 4.168 0.02 1 1002 292 94 ASP HB2 H 2.833 0.02 2 1003 292 94 ASP HB3 H 2.614 0.02 2 1004 292 94 ASP C C 176.359 0.1 1 1005 292 94 ASP CA C 56.765 0.1 1 1006 292 94 ASP CB C 43.513 0.1 1 1007 292 94 ASP N N 121.926 0.1 1 1008 293 95 ASN H H 8.252 0.02 1 1009 293 95 ASN HA H 4.844 0.02 1 1010 293 95 ASN HB2 H 2.647 0.02 2 1011 293 95 ASN HB3 H 2.560 0.02 2 1012 293 95 ASN HD21 H 7.579 0.02 2 1013 293 95 ASN HD22 H 6.691 0.02 2 1014 293 95 ASN C C 172.995 0.1 1 1015 293 95 ASN CA C 52.061 0.1 1 1016 293 95 ASN CB C 43.422 0.1 1 1017 293 95 ASN N N 114.580 0.1 1 1018 293 95 ASN ND2 N 113.217 0.1 1 1019 294 96 LEU H H 8.087 0.02 1 1020 294 96 LEU HA H 3.921 0.02 1 1021 294 96 LEU HB2 H 1.456 0.02 2 1022 294 96 LEU HB3 H 1.091 0.02 2 1023 294 96 LEU HD1 H 0.149 0.02 2 1024 294 96 LEU HD2 H 0.736 0.02 2 1025 294 96 LEU HG H 1.309 0.02 1 1026 294 96 LEU CA C 53.520 0.1 1 1027 294 96 LEU CB C 42.838 0.1 1 1028 294 96 LEU CD1 C 23.416 0.1 1 1029 294 96 LEU CD2 C 26.006 0.1 1 1030 294 96 LEU CG C 27.300 0.1 1 1031 294 96 LEU N N 121.373 0.1 1 1032 295 97 PRO HA H 4.066 0.02 1 1033 295 97 PRO HB2 H 1.948 0.02 2 1034 295 97 PRO HB3 H 2.179 0.02 2 1035 295 97 PRO HD2 H 3.700 0.02 2 1036 295 97 PRO HD3 H 3.284 0.02 2 1037 295 97 PRO HG2 H 1.893 0.02 2 1038 295 97 PRO HG3 H 1.850 0.02 2 1039 295 97 PRO C C 176.817 0.1 1 1040 295 97 PRO CA C 61.937 0.1 1 1041 295 97 PRO CB C 34.134 0.1 1 1042 295 97 PRO CD C 50.931 0.1 1 1043 295 97 PRO CG C 25.087 0.1 1 1044 296 98 TYR H H 7.925 0.02 1 1045 296 98 TYR HA H 4.933 0.02 1 1046 296 98 TYR HB2 H 2.875 0.02 2 1047 296 98 TYR HB3 H 2.470 0.02 2 1048 296 98 TYR HD1 H 6.640 0.02 1 1049 296 98 TYR HD2 H 6.640 0.02 1 1050 296 98 TYR HE1 H 6.249 0.02 1 1051 296 98 TYR HE2 H 6.249 0.02 1 1052 296 98 TYR C C 176.786 0.1 1 1053 296 98 TYR CA C 55.500 0.1 1 1054 296 98 TYR CB C 36.050 0.1 1 1055 296 98 TYR CD1 C 131.779 0.1 1 1056 296 98 TYR CE1 C 118.066 0.1 1 1057 296 98 TYR N N 121.956 0.1 1 1058 297 99 THR H H 7.338 0.02 1 1059 297 99 THR HA H 4.840 0.02 1 1060 297 99 THR HB H 4.563 0.02 1 1061 297 99 THR HG1 H 5.176 0.02 1 1062 297 99 THR HG2 H 1.363 0.02 1 1063 297 99 THR C C 173.138 0.1 1 1064 297 99 THR CA C 60.089 0.1 1 1065 297 99 THR CB C 72.926 0.1 1 1066 297 99 THR CG2 C 23.851 0.1 1 1067 297 99 THR N N 112.943 0.1 1 1068 298 100 PHE H H 8.801 0.02 1 1069 298 100 PHE HA H 5.503 0.02 1 1070 298 100 PHE HB2 H 3.452 0.02 2 1071 298 100 PHE HB3 H 2.991 0.02 2 1072 298 100 PHE HD1 H 7.152 0.02 1 1073 298 100 PHE HD2 H 7.152 0.02 1 1074 298 100 PHE HE1 H 6.880 0.02 1 1075 298 100 PHE HE2 H 6.880 0.02 1 1076 298 100 PHE C C 178.863 0.1 1 1077 298 100 PHE CA C 56.488 0.1 1 1078 298 100 PHE CB C 43.905 0.1 1 1079 298 100 PHE CD1 C 132.309 0.1 1 1080 298 100 PHE CE1 C 131.300 0.1 1 1081 298 100 PHE N N 118.749 0.1 1 1082 299 101 GLY H H 8.741 0.02 1 1083 299 101 GLY HA2 H 4.399 0.02 2 1084 299 101 GLY HA3 H 4.195 0.02 2 1085 299 101 GLY CA C 45.131 0.1 1 1086 299 101 GLY N N 107.685 0.1 1 1087 300 102 GLN H H 8.542 0.02 1 1088 300 102 GLN HA H 4.328 0.02 1 1089 300 102 GLN HB2 H 2.407 0.02 2 1090 300 102 GLN HB3 H 2.372 0.02 2 1091 300 102 GLN HE21 H 7.756 0.02 2 1092 300 102 GLN HE22 H 7.200 0.02 2 1093 300 102 GLN HG2 H 2.698 0.02 2 1094 300 102 GLN HG3 H 2.698 0.02 2 1095 300 102 GLN C C 176.385 0.1 1 1096 300 102 GLN CA C 58.333 0.1 1 1097 300 102 GLN CB C 28.595 0.1 1 1098 300 102 GLN CG C 34.438 0.1 1 1099 300 102 GLN NE2 N 112.960 0.1 1 1100 301 103 GLY H H 7.048 0.02 1 1101 301 103 GLY HA2 H 3.872 0.02 2 1102 301 103 GLY HA3 H 3.586 0.02 2 1103 301 103 GLY C C 172.759 0.1 1 1104 301 103 GLY CA C 44.497 0.1 1 1105 301 103 GLY N N 106.723 0.1 1 1106 302 104 THR H H 8.066 0.02 1 1107 302 104 THR HA H 4.782 0.02 1 1108 302 104 THR HB H 3.712 0.02 1 1109 302 104 THR HG2 H 1.014 0.02 1 1110 302 104 THR C C 174.080 0.1 1 1111 302 104 THR CA C 61.948 0.1 1 1112 302 104 THR CB C 72.715 0.1 1 1113 302 104 THR CG2 C 21.919 0.1 1 1114 302 104 THR N N 116.932 0.1 1 1115 303 105 LYS H H 8.264 0.02 1 1116 303 105 LYS HA H 4.642 0.02 1 1117 303 105 LYS HB2 H 1.923 0.02 2 1118 303 105 LYS HB3 H 1.798 0.02 2 1119 303 105 LYS HD2 H 1.688 0.02 2 1120 303 105 LYS HD3 H 1.688 0.02 2 1121 303 105 LYS HE2 H 2.968 0.02 2 1122 303 105 LYS HE3 H 2.968 0.02 2 1123 303 105 LYS HG2 H 1.451 0.02 2 1124 303 105 LYS HG3 H 1.340 0.02 2 1125 303 105 LYS C C 174.115 0.1 1 1126 303 105 LYS CA C 56.813 0.1 1 1127 303 105 LYS CB C 33.820 0.1 1 1128 303 105 LYS CD C 29.769 0.1 1 1129 303 105 LYS CE C 42.342 0.1 1 1130 303 105 LYS CG C 25.301 0.1 1 1131 303 105 LYS N N 129.548 0.1 1 1132 304 106 LEU H H 8.545 0.02 1 1133 304 106 LEU HA H 5.331 0.02 1 1134 304 106 LEU HB2 H 2.142 0.02 2 1135 304 106 LEU HB3 H 1.694 0.02 2 1136 304 106 LEU HD1 H 0.921 0.02 2 1137 304 106 LEU HD2 H 0.905 0.02 2 1138 304 106 LEU HG H 1.758 0.02 1 1139 304 106 LEU C C 175.349 0.1 1 1140 304 106 LEU CA C 54.541 0.1 1 1141 304 106 LEU CB C 45.156 0.1 1 1142 304 106 LEU CD1 C 26.365 0.1 1 1143 304 106 LEU CD2 C 26.365 0.1 1 1144 304 106 LEU CG C 28.595 0.1 1 1145 304 106 LEU N N 129.544 0.1 1 1146 305 107 GLU H H 8.695 0.02 1 1147 305 107 GLU HA H 4.754 0.02 1 1148 305 107 GLU HB2 H 1.895 0.02 2 1149 305 107 GLU HB3 H 2.042 0.02 2 1150 305 107 GLU HG2 H 2.174 0.02 2 1151 305 107 GLU HG3 H 2.174 0.02 2 1152 305 107 GLU C C 174.480 0.1 1 1153 305 107 GLU CA C 55.147 0.1 1 1154 305 107 GLU CB C 34.109 0.1 1 1155 305 107 GLU CG C 36.688 0.1 1 1156 305 107 GLU N N 123.375 0.1 1 1157 306 108 ILE H H 8.197 0.02 1 1158 306 108 ILE HA H 4.908 0.02 1 1159 306 108 ILE HB H 1.729 0.02 1 1160 306 108 ILE HD1 H 0.752 0.02 1 1161 306 108 ILE HG12 H 1.479 0.02 2 1162 306 108 ILE HG13 H 1.145 0.02 2 1163 306 108 ILE HG2 H 0.924 0.02 1 1164 306 108 ILE C C 176.679 0.1 1 1165 306 108 ILE CA C 59.182 0.1 1 1166 306 108 ILE CB C 39.329 0.1 1 1167 306 108 ILE CD1 C 12.910 0.1 1 1168 306 108 ILE CG1 C 28.571 0.1 1 1169 306 108 ILE CG2 C 17.894 0.1 1 1170 306 108 ILE N N 120.426 0.1 1 1171 307 109 LYS H H 8.364 0.02 1 1172 307 109 LYS HA H 4.196 0.02 1 1173 307 109 LYS HB2 H 1.645 0.02 2 1174 307 109 LYS HB3 H 1.479 0.02 2 1175 307 109 LYS HD2 H 1.586 0.02 2 1176 307 109 LYS HD3 H 1.586 0.02 2 1177 307 109 LYS HE2 H 2.902 0.02 2 1178 307 109 LYS HE3 H 2.902 0.02 2 1179 307 109 LYS HG2 H 1.307 0.02 2 1180 307 109 LYS HG3 H 1.307 0.02 2 1181 307 109 LYS C C 175.190 0.1 1 1182 307 109 LYS CA C 56.736 0.1 1 1183 307 109 LYS CB C 33.470 0.1 1 1184 307 109 LYS CD C 29.514 0.1 1 1185 307 109 LYS CE C 42.191 0.1 1 1186 307 109 LYS CG C 24.821 0.1 1 1187 307 109 LYS N N 129.439 0.1 1 1188 308 110 ARG H H 8.147 0.02 1 1189 308 110 ARG HA H 4.190 0.02 1 1190 308 110 ARG HB2 H 1.838 0.02 2 1191 308 110 ARG HB3 H 1.718 0.02 2 1192 308 110 ARG HD2 H 3.193 0.02 2 1193 308 110 ARG HD3 H 3.193 0.02 2 1194 308 110 ARG HG2 H 1.633 0.02 2 1195 308 110 ARG HG3 H 1.633 0.02 2 1196 308 110 ARG C C 181.115 0.1 1 1197 308 110 ARG CA C 57.748 0.1 1 1198 308 110 ARG CB C 31.832 0.1 1 1199 308 110 ARG CD C 43.809 0.1 1 1200 308 110 ARG CG C 27.624 0.1 1 1201 308 110 ARG N N 130.775 0.1 1 stop_ save_