data_4109 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence Specific 1H, 13C and 15N Resonance Assignment of Rat CD2 Domain 1 ; _BMRB_accession_number 4109 _BMRB_flat_file_name bmr4109.str _Entry_type original _Submission_date 1998-02-18 _Accession_date 1998-02-18 _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 Chen Ho A. . 2 Pfuhl Mark . . 3 Davis Ben . . 4 Driscoll Paul C. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 3 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1571 "13C chemical shifts" 1055 "15N chemical shifts" 302 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1999-02-02 original author . stop_ _Original_release_date 1999-02-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Chen, H. A., Pfuhl, M., Davis, B., and Driscoll, P. C., "Sequence Specific 1H, 13C and 15N Resonance Assignment of Rat CD2 Domain 1," J. Biomol. NMR 12, 457-458 (1998). ; _Citation_title ; Sequence Specific 1H, 13C and 15N Resonance Assignment of Rat CD2 Domain 1 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 99052118 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chen Ho A. . 2 Pfuhl Mark . . 3 Davis Ben . . 4 Driscoll Paul C. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 12 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 457 _Page_last 458 _Year 1998 _Details . loop_ _Keyword CD2 CD48 'cell adhesion molecules' 'T lymphocyte' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_citation_one _Saveframe_category citation _Citation_full 'Delaglio et.al, J. Biomol. NMR 6, 277-293, (1995).' _Citation_title 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 8520220 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Delaglio F . . 2 Grzesiek S . . 3 Vuister 'G W' W. . 4 Zhu G . . 5 Pfeifer J . . 6 Bax A . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of biomolecular NMR' _Journal_volume 6 _Journal_issue 3 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 277 _Page_last 293 _Year 1995 _Details ; The NMRPipe system is a UNIX software environment of processing, graphics, and analysis tools designed to meet current routine and research-oriented multidimensional processing requirements, and to anticipate and accommodate future demands and developments. The system is based on UNIX pipes, which allow programs running simultaneously to exchange streams of data under user control. In an NMRPipe processing scheme, a stream of spectral data flows through a pipeline of processing programs, each of which performs one component of the overall scheme, such as Fourier transformation or linear prediction. Complete multidimensional processing schemes are constructed as simple UNIX shell scripts. The processing modules themselves maintain and exploit accurate records of data sizes, detection modes, and calibration information in all dimensions, so that schemes can be constructed without the need to explicitly define or anticipate data sizes or storage details of real and imaginary channels during processing. The asynchronous pipeline scheme provides other substantial advantages, including high flexibility, favorable processing speeds, choice of both all-in-memory and disk-bound processing, easy adaptation to different data formats, simpler software development and maintenance, and the ability to distribute processing tasks on multi-CPU computers and computer networks. ; save_ ################################## # Molecular system description # ################################## save_system_CD2d1 _Saveframe_category molecular_system _Mol_system_name 'rat CD2 domain 1' _Abbreviation_common CD2d1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CD2d1 $CD2d1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'cell adhesion molecule' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CD2d1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'rat CD2 domain 1' _Abbreviation_common CD2d1 _Molecular_mass 12000 _Mol_thiol_state . loop_ _Biological_function 'cell adhesion molecule' stop_ _Details ; additional MET at N-terminus only residues 23-121 used in the sample studied (= domain 1) ; ############################## # Polymer residue sequence # ############################## _Residue_count 100 _Mol_residue_sequence ; MRDSGTVWGALGHGINLNIP NFQMTDDIDEVRWERGSTLV AEFKRKMKPFLKSGAFEILA NGDLKIKNLTRDDSGTYNVT VYSTNGTRILNKALDLRILE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 MET 2 23 ARG 3 24 ASP 4 25 SER 5 26 GLY 6 27 THR 7 28 VAL 8 29 TRP 9 30 GLY 10 31 ALA 11 32 LEU 12 33 GLY 13 34 HIS 14 35 GLY 15 36 ILE 16 37 ASN 17 38 LEU 18 39 ASN 19 40 ILE 20 41 PRO 21 42 ASN 22 43 PHE 23 44 GLN 24 45 MET 25 46 THR 26 47 ASP 27 48 ASP 28 49 ILE 29 50 ASP 30 51 GLU 31 52 VAL 32 53 ARG 33 54 TRP 34 55 GLU 35 56 ARG 36 57 GLY 37 58 SER 38 59 THR 39 60 LEU 40 61 VAL 41 62 ALA 42 63 GLU 43 64 PHE 44 65 LYS 45 66 ARG 46 67 LYS 47 68 MET 48 69 LYS 49 70 PRO 50 71 PHE 51 72 LEU 52 73 LYS 53 74 SER 54 75 GLY 55 76 ALA 56 77 PHE 57 78 GLU 58 79 ILE 59 80 LEU 60 81 ALA 61 82 ASN 62 83 GLY 63 84 ASP 64 85 LEU 65 86 LYS 66 87 ILE 67 88 LYS 68 89 ASN 69 90 LEU 70 91 THR 71 92 ARG 72 93 ASP 73 94 ASP 74 95 SER 75 96 GLY 76 97 THR 77 98 TYR 78 99 ASN 79 100 VAL 80 101 THR 81 102 VAL 82 103 TYR 83 104 SER 84 105 THR 85 106 ASN 86 107 GLY 87 108 THR 88 109 ARG 89 110 ILE 90 111 LEU 91 112 ASN 92 113 LYS 93 114 ALA 94 115 LEU 95 116 ASP 96 117 LEU 97 118 ARG 98 119 ILE 99 120 LEU 100 121 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-04 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 1A64 "Engineering A Misfolded Form Of Rat Cd2" 99.00 97 96.97 97.98 2.36e-60 PDB 1A7B "Engineering A Misfolded Form Of Cd2" 99.00 97 96.97 97.98 2.36e-60 PDB 1CDC "Cd2, N-Terminal Domain (1-99), Truncated Form" 99.00 99 98.99 100.00 5.79e-64 PDB 1HNG "Crystal Structure At 2.8 Angstroms Resolution Of A Soluble Form Of The Cell Adhesion Molecule Cd2" 99.00 176 100.00 100.00 9.08e-65 PDB 1T6W "Rational Design Of A Calcium-Binding Adhesion Protein Nmr, 20 Structures" 99.00 99 97.98 100.00 2.58e-63 EMBL CAA28757 "unnamed protein product [Rattus norvegicus]" 99.00 344 98.99 100.00 8.15e-65 GB AAH88164 "Cd2 molecule [Rattus norvegicus]" 99.00 344 100.00 100.00 1.57e-65 GB ADI96088 "Cd2 [synthetic construct]" 99.00 344 98.99 100.00 8.15e-65 GB EDL85525 "rCG51754 [Rattus norvegicus]" 99.00 344 100.00 100.00 1.57e-65 REF NP_036962 "T-cell surface antigen CD2 precursor [Rattus norvegicus]" 99.00 344 98.99 100.00 8.15e-65 SP P08921 "RecName: Full=T-cell surface antigen CD2; AltName: Full=LFA-2; AltName: Full=LFA-3 receptor; AltName: Full=OX-34 antigen; AltNa" 99.00 344 98.99 100.00 8.15e-65 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Tissue _Details $CD2d1 rat 10117 Eukaryota Metazoa Rattus rattus T-lymphocyte 'plasmamembrane, outside' 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 $CD2d1 'recombinant technology' 'E. coli' Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CD2d1 1.2 mM [U96%-13C;U96%-15N] 'phosphate buffer' 20 mM . stop_ save_ ############################ # Computer software used # ############################ save_software_nmrPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Task 'processing of spectra' stop_ _Details . _Citation_label $citation_one save_ save_software_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Task 'Spectral analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_HN(CO)CACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CACB _Sample_label . save_ save_CBCACOCAHA_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACOCAHA _Sample_label . save_ save_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_HCCH-COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label . save_ save_HC(C)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name HC(C)CO _Sample_label . save_ save_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_1H-13C_CT-HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C CT-HSQC' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACOCAHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HC(C)CO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C CT-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 3.0 0.03 n/a temperature 298 0.1 K stop_ save_ save_sample_conditions_two _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.0 0.03 n/a temperature 298 0.1 K stop_ save_ save_sample_conditions_three _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 0.03 n/a temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0.00 . 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_chemical_shift_assignment_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name CD2d1 _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 . 2 ARG N N 124.988 0.050 1 2 . 2 ARG H H 8.830 0.005 1 3 . 2 ARG CA C 56.411 0.050 1 4 . 2 ARG HA H 4.404 0.005 1 5 . 2 ARG CB C 32.958 0.050 1 6 . 2 ARG CG C 27.099 0.050 1 7 . 2 ARG CD C 43.450 0.050 1 8 . 2 ARG HB2 H 2.169 0.005 1 9 . 2 ARG HB3 H 2.169 0.005 1 10 . 2 ARG HG2 H 1.664 0.005 1 11 . 2 ARG HG3 H 1.664 0.005 1 12 . 2 ARG HD2 H 3.209 0.005 1 13 . 2 ARG HD3 H 3.209 0.005 1 14 . 3 ASP N N 122.521 0.050 1 15 . 3 ASP H H 8.748 0.005 1 16 . 3 ASP CA C 53.991 0.050 1 17 . 3 ASP HA H 4.713 0.005 1 18 . 3 ASP CB C 39.070 0.050 1 19 . 3 ASP HB2 H 2.914 0.005 2 20 . 3 ASP HB3 H 2.855 0.005 2 21 . 3 ASP CG C 177.331 0.050 1 22 . 4 SER N N 117.790 0.050 1 23 . 4 SER H H 8.670 0.005 1 24 . 4 SER CA C 59.027 0.050 1 25 . 4 SER HA H 4.588 0.005 1 26 . 4 SER CB C 64.117 0.050 1 27 . 4 SER HB2 H 3.952 0.005 1 28 . 4 SER HB3 H 3.952 0.005 1 29 . 5 GLY N N 111.031 0.050 1 30 . 5 GLY H H 8.379 0.005 1 31 . 5 GLY CA C 45.598 0.050 1 32 . 5 GLY HA2 H 4.171 0.005 1 33 . 5 GLY HA3 H 4.067 0.005 1 34 . 6 THR N N 118.733 0.050 1 35 . 6 THR H H 8.129 0.005 1 36 . 6 THR CA C 62.412 0.050 1 37 . 6 THR HA H 4.936 0.005 1 38 . 6 THR CB C 70.762 0.050 1 39 . 6 THR HB H 3.830 0.005 1 40 . 6 THR CG2 C 21.113 0.050 1 41 . 6 THR HG2 H 0.469 0.005 1 42 . 7 VAL N N 128.743 0.050 1 43 . 7 VAL H H 8.980 0.005 1 44 . 7 VAL CA C 60.954 0.050 1 45 . 7 VAL HA H 4.298 0.005 1 46 . 7 VAL CB C 34.679 0.050 1 47 . 7 VAL HB H 1.774 0.005 1 48 . 7 VAL CG1 C 21.035 0.050 2 49 . 7 VAL HG1 H 0.895 0.005 2 50 . 7 VAL CG2 C 21.607 0.050 2 51 . 7 VAL HG2 H 0.877 0.005 2 52 . 8 TRP N N 126.369 0.050 1 53 . 8 TRP H H 8.562 0.005 1 54 . 8 TRP CA C 55.900 0.050 1 55 . 8 TRP HA H 5.288 0.005 1 56 . 9 GLY N N 109.176 0.050 1 57 . 9 GLY H H 8.853 0.005 1 58 . 9 GLY CA C 44.046 0.050 1 59 . 9 GLY HA2 H 4.619 0.005 1 60 . 9 GLY HA3 H 3.252 0.005 1 61 . 10 ALA N N 124.671 0.050 1 62 . 10 ALA H H 8.341 0.005 1 63 . 10 ALA CA C 50.253 0.050 1 64 . 10 ALA HA H 4.860 0.005 1 65 . 10 ALA CB C 20.465 0.050 1 66 . 10 ALA HB H 1.088 0.005 1 67 . 11 LEU N N 122.853 0.050 1 68 . 11 LEU H H 8.608 0.005 1 69 . 11 LEU CA C 56.149 0.050 1 70 . 11 LEU HA H 3.788 0.005 1 71 . 11 LEU CB C 41.969 0.050 1 72 . 11 LEU CG C 26.575 0.050 1 73 . 11 LEU HG H 1.717 0.005 1 74 . 11 LEU CD1 C 25.210 0.050 2 75 . 11 LEU HD1 H 0.938 0.005 2 76 . 11 LEU CD2 C 24.454 0.050 2 77 . 11 LEU HD2 H 0.781 0.005 2 78 . 11 LEU HB2 H 1.616 0.005 1 79 . 11 LEU HB3 H 1.616 0.005 1 80 . 12 GLY N N 112.365 0.050 1 81 . 12 GLY H H 9.387 0.005 1 82 . 12 GLY CA C 45.646 0.050 1 83 . 12 GLY HA2 H 4.066 0.005 1 84 . 12 GLY HA3 H 4.066 0.005 1 85 . 13 HIS N N 117.996 0.050 1 86 . 13 HIS H H 7.954 0.005 1 87 . 13 HIS CA C 53.803 0.050 1 88 . 13 HIS HA H 4.919 0.005 1 89 . 13 HIS CB C 31.233 0.050 1 90 . 13 HIS HB2 H 3.412 0.005 2 91 . 13 HIS HB3 H 3.301 0.005 2 92 . 14 GLY N N 109.858 0.050 1 93 . 14 GLY H H 8.660 0.005 1 94 . 14 GLY CA C 44.902 0.050 1 95 . 14 GLY HA2 H 4.692 0.005 1 96 . 14 GLY HA3 H 3.542 0.005 1 97 . 15 ILE N N 120.348 0.050 1 98 . 15 ILE H H 8.640 0.005 1 99 . 15 ILE CA C 59.356 0.050 1 100 . 15 ILE HA H 4.505 0.005 1 101 . 15 ILE CB C 41.908 0.050 1 102 . 15 ILE HB H 1.793 0.005 1 103 . 15 ILE CG1 C 29.044 0.050 1 104 . 15 ILE HG12 H 1.388 0.005 2 105 . 15 ILE HG13 H 0.997 0.005 2 106 . 15 ILE CG2 C 18.044 0.050 1 107 . 15 ILE HG2 H 0.687 0.005 1 108 . 15 ILE CD1 C 14.737 0.050 1 109 . 15 ILE HD1 H 0.839 0.005 1 110 . 16 ASN N N 124.111 0.050 1 111 . 16 ASN H H 7.871 0.005 1 112 . 16 ASN CA C 51.239 0.050 1 113 . 16 ASN HA H 5.255 0.005 1 114 . 16 ASN CB C 39.070 0.050 1 115 . 16 ASN HB2 H 2.530 0.005 2 116 . 16 ASN HB3 H 2.282 0.005 2 117 . 16 ASN CG C 175.858 0.050 1 118 . 17 LEU N N 125.509 0.050 1 119 . 17 LEU H H 9.300 0.005 1 120 . 17 LEU CA C 54.027 0.050 1 121 . 17 LEU HA H 4.274 0.005 1 122 . 17 LEU CB C 41.503 0.050 1 123 . 17 LEU CD1 C 24.161 0.050 2 124 . 17 LEU HD1 H 0.442 0.005 2 125 . 17 LEU CD2 C 25.547 0.050 2 126 . 17 LEU HD2 H 0.071 0.005 2 127 . 17 LEU HB2 H 1.201 0.005 1 128 . 17 LEU HB3 H 1.201 0.005 1 129 . 18 ASN N N 121.033 0.050 1 130 . 18 ASN H H 8.201 0.005 1 131 . 18 ASN CA C 51.770 0.050 1 132 . 18 ASN HA H 4.657 0.005 1 133 . 18 ASN CB C 40.550 0.050 1 134 . 18 ASN HB2 H 2.626 0.005 2 135 . 18 ASN HB3 H 2.312 0.005 2 136 . 18 ASN CG C 176.074 0.050 1 137 . 19 ILE N N 122.588 0.050 1 138 . 19 ILE H H 7.659 0.005 1 139 . 19 ILE CA C 60.063 0.050 1 140 . 19 ILE HA H 3.995 0.005 1 141 . 19 ILE CB C 37.836 0.050 1 142 . 19 ILE HB H 1.849 0.005 1 143 . 19 ILE CG1 C 28.659 0.050 1 144 . 19 ILE HG12 H 1.966 0.005 2 145 . 19 ILE HG13 H 0.664 0.005 2 146 . 19 ILE CG2 C 18.205 0.050 1 147 . 19 ILE HG2 H 0.372 0.005 1 148 . 19 ILE CD1 C 13.068 0.050 1 149 . 19 ILE HD1 H 0.451 0.005 1 150 . 20 PRO CA C 63.390 0.050 1 151 . 20 PRO HA H 4.313 0.005 1 152 . 20 PRO CB C 32.285 0.050 1 153 . 20 PRO HB2 H 2.283 0.005 2 154 . 20 PRO HB3 H 1.819 0.005 2 155 . 20 PRO CG C 27.287 0.050 1 156 . 20 PRO HG2 H 2.217 0.005 2 157 . 20 PRO HG3 H 2.096 0.005 2 158 . 20 PRO CD C 50.509 0.050 1 159 . 20 PRO HD2 H 4.156 0.005 2 160 . 20 PRO HD3 H 3.220 0.005 2 161 . 21 ASN N N 117.410 0.050 1 162 . 21 ASN H H 8.862 0.005 1 163 . 21 ASN CA C 54.325 0.050 1 164 . 21 ASN HA H 4.268 0.005 1 165 . 21 ASN CB C 37.919 0.050 1 166 . 21 ASN HB2 H 2.980 0.005 2 167 . 21 ASN HB3 H 2.685 0.005 2 168 . 21 ASN CG C 178.580 0.050 1 169 . 22 PHE N N 118.304 0.050 1 170 . 22 PHE H H 7.488 0.005 1 171 . 22 PHE CA C 57.503 0.050 1 172 . 22 PHE HA H 4.737 0.005 1 173 . 23 GLN N N 127.024 0.050 1 174 . 23 GLN H H 7.055 0.005 1 175 . 23 GLN CA C 53.629 0.050 1 176 . 23 GLN HA H 4.191 0.005 1 177 . 23 GLN CB C 31.197 0.050 1 178 . 23 GLN HB2 H 1.697 0.005 2 179 . 23 GLN HB3 H 1.600 0.005 2 180 . 23 GLN CG C 33.340 0.050 1 181 . 23 GLN CD C 180.614 0.050 1 182 . 23 GLN HG2 H 2.091 0.005 1 183 . 23 GLN HG3 H 2.091 0.005 1 184 . 24 MET N N 124.185 0.050 1 185 . 24 MET H H 8.437 0.005 1 186 . 24 MET CA C 55.547 0.050 1 187 . 24 MET HA H 4.054 0.005 1 188 . 24 MET CG C 31.763 0.050 1 189 . 24 MET HG2 H 2.732 0.005 2 190 . 24 MET HG3 H 2.333 0.005 2 191 . 25 THR N N 116.568 0.050 1 192 . 25 THR H H 6.826 0.005 1 193 . 25 THR CA C 59.939 0.050 1 194 . 25 THR HA H 4.675 0.005 1 195 . 25 THR CB C 72.575 0.050 1 196 . 25 THR HB H 4.456 0.005 1 197 . 25 THR CG2 C 21.712 0.050 1 198 . 25 THR HG2 H 1.120 0.005 1 199 . 26 ASP N N 118.223 0.050 1 200 . 26 ASP H H 8.870 0.005 1 201 . 26 ASP CA C 55.455 0.050 1 202 . 26 ASP HA H 4.510 0.005 1 203 . 26 ASP CB C 39.199 0.050 1 204 . 26 ASP HB2 H 2.898 0.005 2 205 . 26 ASP HB3 H 2.764 0.005 2 206 . 26 ASP CG C 177.331 0.050 1 207 . 27 ASP N N 116.652 0.050 1 208 . 27 ASP H H 8.082 0.005 1 209 . 27 ASP CA C 53.531 0.050 1 210 . 27 ASP HA H 4.759 0.005 1 211 . 27 ASP CB C 39.594 0.050 1 212 . 27 ASP HB2 H 2.781 0.005 2 213 . 27 ASP HB3 H 2.691 0.005 2 214 . 27 ASP CG C 177.700 0.050 1 215 . 28 ILE N N 120.210 0.050 1 216 . 28 ILE H H 7.573 0.005 1 217 . 28 ILE CA C 59.155 0.050 1 218 . 28 ILE HA H 4.206 0.005 1 219 . 28 ILE CB C 36.071 0.050 1 220 . 28 ILE HB H 2.666 0.005 1 221 . 28 ILE CG1 C 27.111 0.050 1 222 . 28 ILE HG12 H 1.974 0.005 2 223 . 28 ILE HG13 H 1.640 0.005 2 224 . 28 ILE CG2 C 18.720 0.050 1 225 . 28 ILE HG2 H 1.009 0.005 1 226 . 28 ILE CD1 C 9.976 0.050 1 227 . 28 ILE HD1 H 0.839 0.005 1 228 . 29 ASP N N 126.314 0.050 1 229 . 29 ASP H H 9.047 0.005 1 230 . 29 ASP CA C 54.351 0.050 1 231 . 29 ASP HA H 4.929 0.005 1 232 . 29 ASP CB C 43.622 0.050 1 233 . 29 ASP CG C 175.685 0.050 1 234 . 29 ASP HB2 H 2.501 0.005 1 235 . 29 ASP HB3 H 2.501 0.005 1 236 . 30 GLU N N 116.643 0.050 1 237 . 30 GLU H H 7.802 0.005 1 238 . 30 GLU CA C 54.294 0.050 1 239 . 30 GLU HA H 5.679 0.005 1 240 . 30 GLU CB C 33.123 0.050 1 241 . 30 GLU HB2 H 2.161 0.005 2 242 . 30 GLU HB3 H 1.948 0.005 2 243 . 30 GLU CG C 33.233 0.050 1 244 . 30 GLU HG2 H 2.682 0.005 2 245 . 30 GLU HG3 H 2.131 0.005 2 246 . 30 GLU CD C 178.069 0.050 1 247 . 31 VAL N N 126.410 0.050 1 248 . 31 VAL H H 9.112 0.005 1 249 . 31 VAL CA C 62.144 0.050 1 250 . 31 VAL HA H 4.690 0.005 1 251 . 31 VAL CB C 35.540 0.050 1 252 . 31 VAL HB H 2.135 0.005 1 253 . 31 VAL CG1 C 21.090 0.050 2 254 . 31 VAL HG1 H 0.927 0.005 2 255 . 31 VAL CG2 C 21.834 0.050 2 256 . 31 VAL HG2 H 0.826 0.005 2 257 . 32 ARG N N 128.751 0.050 1 258 . 32 ARG H H 9.413 0.005 1 259 . 32 ARG CA C 55.539 0.050 1 260 . 32 ARG HA H 5.098 0.005 1 261 . 32 ARG CB C 34.097 0.050 1 262 . 32 ARG CG C 28.218 0.050 1 263 . 32 ARG HG2 H 1.673 0.005 2 264 . 32 ARG HG3 H 1.412 0.005 2 265 . 32 ARG CD C 43.900 0.050 1 266 . 32 ARG HD2 H 3.156 0.005 2 267 . 32 ARG HD3 H 3.048 0.005 2 268 . 32 ARG HB2 H 1.982 0.005 1 269 . 32 ARG HB3 H 1.982 0.005 1 270 . 33 TRP N N 125.894 0.050 1 271 . 33 TRP H H 9.455 0.005 1 272 . 33 TRP CA C 56.552 0.050 1 273 . 33 TRP HA H 5.419 0.005 1 274 . 33 TRP CB C 32.317 0.050 1 275 . 33 TRP HB2 H 3.198 0.005 2 276 . 33 TRP HB3 H 2.965 0.005 2 277 . 34 GLU N N 123.241 0.050 1 278 . 34 GLU H H 9.573 0.005 1 279 . 34 GLU CA C 54.273 0.050 1 280 . 34 GLU HA H 5.254 0.005 1 281 . 34 GLU CB C 33.010 0.050 1 282 . 34 GLU CG C 33.738 0.050 1 283 . 34 GLU HG2 H 2.317 0.005 2 284 . 34 GLU HG3 H 2.089 0.005 2 285 . 34 GLU CD C 178.885 0.050 1 286 . 34 GLU HB2 H 1.909 0.005 1 287 . 34 GLU HB3 H 1.909 0.005 1 288 . 35 ARG N N 124.615 0.050 1 289 . 35 ARG H H 8.730 0.005 1 290 . 35 ARG CA C 55.081 0.050 1 291 . 35 ARG HA H 4.530 0.005 1 292 . 35 ARG CB C 31.094 0.050 1 293 . 35 ARG HB2 H 1.543 0.005 2 294 . 35 ARG HB3 H 1.005 0.005 2 295 . 35 ARG CG C 26.795 0.050 1 296 . 35 ARG HG2 H 1.054 0.005 2 297 . 35 ARG HG3 H 0.916 0.005 2 298 . 35 ARG CD C 43.271 0.050 1 299 . 35 ARG HD2 H 2.967 0.005 2 300 . 35 ARG HD3 H 2.789 0.005 2 301 . 36 GLY N N 119.838 0.050 1 302 . 36 GLY H H 8.873 0.005 1 303 . 36 GLY CA C 47.510 0.050 1 304 . 36 GLY HA2 H 4.025 0.005 1 305 . 36 GLY HA3 H 3.569 0.005 1 306 . 37 SER N N 122.814 0.050 1 307 . 37 SER H H 8.823 0.005 1 308 . 37 SER CA C 57.850 0.050 1 309 . 37 SER HA H 4.572 0.005 1 310 . 37 SER CB C 63.593 0.050 1 311 . 37 SER HB2 H 3.981 0.005 2 312 . 37 SER HB3 H 3.824 0.005 2 313 . 38 THR N N 120.580 0.050 1 314 . 38 THR H H 8.242 0.005 1 315 . 38 THR CB C 70.141 0.050 1 316 . 38 THR HB H 4.261 0.005 1 317 . 38 THR CG2 C 21.395 0.050 1 318 . 38 THR HG2 H 1.136 0.005 1 319 . 39 LEU N N 131.147 0.050 1 320 . 39 LEU H H 8.795 0.005 1 321 . 39 LEU CA C 56.168 0.050 1 322 . 39 LEU HA H 4.339 0.005 1 323 . 39 LEU CB C 42.592 0.050 1 324 . 39 LEU HB2 H 1.762 0.005 2 325 . 39 LEU HB3 H 1.621 0.005 2 326 . 39 LEU CG C 27.043 0.050 1 327 . 39 LEU HG H 1.336 0.005 1 328 . 39 LEU CD1 C 23.489 0.050 2 329 . 39 LEU HD1 H 0.938 0.005 2 330 . 39 LEU CD2 C 26.067 0.050 2 331 . 39 LEU HD2 H 0.400 0.005 2 332 . 40 VAL N N 123.369 0.050 1 333 . 40 VAL H H 8.871 0.005 1 334 . 40 VAL CA C 62.200 0.050 1 335 . 40 VAL HA H 4.274 0.005 1 336 . 40 VAL CB C 32.734 0.050 1 337 . 40 VAL HB H 1.279 0.005 1 338 . 40 VAL CG1 C 20.070 0.050 2 339 . 40 VAL HG1 H 0.604 0.005 2 340 . 40 VAL CG2 C 21.815 0.050 2 341 . 40 VAL HG2 H 0.455 0.005 2 342 . 41 ALA N N 119.630 0.050 1 343 . 41 ALA H H 7.878 0.005 1 344 . 41 ALA CA C 51.829 0.050 1 345 . 41 ALA HA H 5.442 0.005 1 346 . 41 ALA CB C 23.786 0.050 1 347 . 41 ALA HB H 1.344 0.005 1 348 . 42 GLU N N 122.222 0.050 1 349 . 42 GLU H H 9.753 0.005 1 350 . 42 GLU CA C 55.537 0.050 1 351 . 42 GLU HA H 5.606 0.005 1 352 . 42 GLU CB C 34.012 0.050 1 353 . 42 GLU HB2 H 2.308 0.005 2 354 . 42 GLU HB3 H 2.146 0.005 2 355 . 42 GLU CG C 33.746 0.050 1 356 . 42 GLU HG2 H 2.391 0.005 2 357 . 42 GLU HG3 H 2.128 0.005 2 358 . 42 GLU CD C 178.111 0.050 1 359 . 43 PHE N N 129.244 0.050 1 360 . 43 PHE H H 9.312 0.005 1 361 . 43 PHE CA C 55.933 0.050 1 362 . 43 PHE HA H 5.005 0.005 1 363 . 44 LYS N N 131.050 0.050 1 364 . 44 LYS H H 8.668 0.005 1 365 . 44 LYS CB C 35.910 0.050 1 366 . 44 LYS HB2 H 1.591 0.005 2 367 . 44 LYS HB3 H 1.429 0.005 2 368 . 44 LYS CG C 25.397 0.050 1 369 . 44 LYS HG2 H 1.274 0.005 1 370 . 44 LYS HG3 H 1.274 0.005 1 371 . 45 ARG N N 125.188 0.050 1 372 . 45 ARG H H 7.977 0.005 1 373 . 45 ARG CA C 58.435 0.050 1 374 . 45 ARG HA H 3.737 0.005 1 375 . 45 ARG CB C 29.481 0.050 1 376 . 45 ARG HB2 H 2.106 0.005 2 377 . 45 ARG HB3 H 2.017 0.005 2 378 . 45 ARG CG C 27.779 0.050 1 379 . 45 ARG HG2 H 1.958 0.005 2 380 . 45 ARG HG3 H 1.795 0.005 2 381 . 45 ARG CD C 43.086 0.050 1 382 . 45 ARG HD2 H 3.406 0.005 2 383 . 45 ARG HD3 H 3.301 0.005 2 384 . 46 LYS N N 117.118 0.050 1 385 . 46 LYS H H 8.794 0.005 1 386 . 46 LYS CA C 58.450 0.050 1 387 . 46 LYS HA H 3.823 0.005 1 388 . 46 LYS CB C 30.237 0.050 1 389 . 46 LYS HB2 H 2.096 0.005 2 390 . 46 LYS HB3 H 2.039 0.005 2 391 . 46 LYS CG C 25.966 0.050 1 392 . 46 LYS CD C 29.177 0.050 1 393 . 46 LYS CE C 42.223 0.050 1 394 . 46 LYS HG2 H 1.396 0.005 1 395 . 46 LYS HG3 H 1.396 0.005 1 396 . 46 LYS HD2 H 1.681 0.005 1 397 . 46 LYS HD3 H 1.681 0.005 1 398 . 46 LYS HE2 H 2.984 0.005 1 399 . 46 LYS HE3 H 2.984 0.005 1 400 . 47 MET N N 119.026 0.050 1 401 . 47 MET H H 7.990 0.005 1 402 . 47 MET CA C 53.843 0.050 1 403 . 47 MET HA H 4.759 0.005 1 404 . 47 MET CB C 35.858 0.050 1 405 . 47 MET HB2 H 2.039 0.005 2 406 . 47 MET HB3 H 1.746 0.005 2 407 . 47 MET CG C 31.980 0.050 1 408 . 47 MET HG2 H 2.501 0.005 2 409 . 47 MET HG3 H 2.452 0.005 2 410 . 48 LYS N N 125.746 0.050 1 411 . 48 LYS H H 8.546 0.005 1 412 . 48 LYS CB C 31.922 0.050 1 413 . 48 LYS CG C 24.827 0.050 1 414 . 48 LYS CD C 29.436 0.050 1 415 . 48 LYS CE C 42.262 0.050 1 416 . 48 LYS HB2 H 1.827 0.005 1 417 . 48 LYS HB3 H 1.827 0.005 1 418 . 48 LYS HG2 H 1.575 0.005 1 419 . 48 LYS HG3 H 1.575 0.005 1 420 . 48 LYS HD2 H 1.746 0.005 1 421 . 48 LYS HD3 H 1.746 0.005 1 422 . 48 LYS HE2 H 3.043 0.005 1 423 . 48 LYS HE3 H 3.043 0.005 1 424 . 49 PRO CA C 63.565 0.050 1 425 . 49 PRO HA H 4.774 0.005 1 426 . 49 PRO CB C 32.514 0.050 1 427 . 49 PRO HB2 H 2.381 0.005 2 428 . 49 PRO HB3 H 1.803 0.005 2 429 . 49 PRO CG C 27.365 0.050 1 430 . 49 PRO HG2 H 2.218 0.005 2 431 . 49 PRO HG3 H 2.096 0.005 2 432 . 49 PRO CD C 50.662 0.050 1 433 . 49 PRO HD2 H 3.934 0.005 2 434 . 49 PRO HD3 H 3.738 0.005 2 435 . 50 PHE N N 122.605 0.050 1 436 . 50 PHE H H 8.612 0.005 1 437 . 50 PHE CA C 57.484 0.050 1 438 . 50 PHE HA H 4.723 0.005 1 439 . 50 PHE CB C 41.024 0.050 1 440 . 50 PHE HB2 H 3.208 0.005 2 441 . 50 PHE HB3 H 3.085 0.005 2 442 . 51 LEU N N 128.329 0.050 1 443 . 51 LEU H H 7.696 0.005 1 444 . 51 LEU CA C 52.916 0.050 1 445 . 51 LEU HA H 4.606 0.005 1 446 . 51 LEU CB C 44.765 0.050 1 447 . 51 LEU CG C 27.108 0.050 1 448 . 51 LEU HG H 1.576 0.005 1 449 . 51 LEU CD1 C 24.889 0.050 2 450 . 51 LEU HD1 H 1.032 0.005 2 451 . 51 LEU CD2 C 23.862 0.050 2 452 . 51 LEU HD2 H 0.952 0.005 2 453 . 51 LEU HB2 H 1.469 0.005 1 454 . 51 LEU HB3 H 1.469 0.005 1 455 . 52 LYS N N 123.306 0.050 1 456 . 52 LYS H H 8.476 0.005 1 457 . 52 LYS CA C 58.767 0.050 1 458 . 52 LYS HA H 3.715 0.005 1 459 . 52 LYS CB C 33.863 0.050 1 460 . 52 LYS HB2 H 2.251 0.005 2 461 . 52 LYS HB3 H 1.795 0.005 2 462 . 52 LYS CG C 24.982 0.050 1 463 . 52 LYS CD C 29.384 0.050 1 464 . 52 LYS HD2 H 1.893 0.005 2 465 . 52 LYS HD3 H 1.791 0.005 2 466 . 52 LYS CE C 42.473 0.050 1 467 . 52 LYS HG2 H 1.640 0.005 1 468 . 52 LYS HG3 H 1.640 0.005 1 469 . 52 LYS HE2 H 3.087 0.005 1 470 . 52 LYS HE3 H 3.087 0.005 1 471 . 53 SER N N 108.661 0.050 1 472 . 53 SER H H 7.654 0.005 1 473 . 53 SER CA C 56.475 0.050 1 474 . 53 SER HA H 4.626 0.005 1 475 . 53 SER CB C 65.769 0.050 1 476 . 53 SER HB2 H 4.140 0.005 2 477 . 53 SER HB3 H 3.968 0.005 2 478 . 54 GLY N N 106.527 0.050 1 479 . 54 GLY H H 8.722 0.005 1 480 . 54 GLY CA C 45.904 0.050 1 481 . 54 GLY HA2 H 4.269 0.005 1 482 . 54 GLY HA3 H 3.789 0.005 1 483 . 55 ALA N N 121.933 0.050 1 484 . 55 ALA H H 7.934 0.005 1 485 . 55 ALA CA C 53.142 0.050 1 486 . 55 ALA HA H 4.015 0.005 1 487 . 55 ALA CB C 18.971 0.050 1 488 . 55 ALA HB H 0.837 0.005 1 489 . 56 PHE N N 114.764 0.050 1 490 . 56 PHE H H 7.264 0.005 1 491 . 56 PHE CA C 55.944 0.050 1 492 . 56 PHE HA H 5.313 0.005 1 493 . 57 GLU N N 118.612 0.050 1 494 . 57 GLU H H 8.846 0.005 1 495 . 57 GLU CA C 55.812 0.050 1 496 . 57 GLU HA H 4.510 0.005 1 497 . 57 GLU CB C 33.076 0.050 1 498 . 57 GLU HB2 H 1.910 0.005 2 499 . 57 GLU HB3 H 1.799 0.005 2 500 . 57 GLU CD C 179.413 0.050 1 501 . 58 ILE N N 124.140 0.050 1 502 . 58 ILE H H 8.603 0.005 1 503 . 58 ILE CA C 58.883 0.050 1 504 . 58 ILE HA H 5.004 0.005 1 505 . 58 ILE CB C 40.710 0.050 1 506 . 58 ILE HB H 1.567 0.005 1 507 . 58 ILE CG1 C 28.815 0.050 1 508 . 58 ILE HG12 H 1.624 0.005 2 509 . 58 ILE HG13 H 1.193 0.005 2 510 . 58 ILE CG2 C 16.601 0.050 1 511 . 58 ILE HG2 H 1.078 0.005 1 512 . 58 ILE CD1 C 15.042 0.050 1 513 . 58 ILE HD1 H 1.041 0.005 1 514 . 59 LEU N N 129.265 0.050 1 515 . 59 LEU H H 8.809 0.005 1 516 . 59 LEU CA C 54.259 0.050 1 517 . 59 LEU HA H 4.456 0.005 1 518 . 59 LEU CB C 42.036 0.050 1 519 . 59 LEU HB2 H 1.925 0.005 2 520 . 59 LEU HB3 H 1.631 0.005 2 521 . 59 LEU CG C 27.476 0.050 1 522 . 59 LEU HG H 1.500 0.005 1 523 . 59 LEU CD1 C 25.133 0.050 2 524 . 59 LEU HD1 H 0.797 0.005 2 525 . 59 LEU CD2 C 22.462 0.050 2 526 . 59 LEU HD2 H 0.724 0.005 2 527 . 60 ALA N N 123.313 0.050 1 528 . 60 ALA H H 8.534 0.005 1 529 . 60 ALA CA C 54.703 0.050 1 530 . 60 ALA HA H 3.948 0.005 1 531 . 60 ALA CB C 18.140 0.050 1 532 . 60 ALA HB H 1.394 0.005 1 533 . 61 ASN N N 112.114 0.050 1 534 . 61 ASN H H 7.390 0.005 1 535 . 61 ASN CA C 52.204 0.050 1 536 . 61 ASN HA H 4.386 0.005 1 537 . 61 ASN CB C 37.841 0.050 1 538 . 61 ASN HB2 H 3.132 0.005 2 539 . 61 ASN HB3 H 2.850 0.005 2 540 . 61 ASN CG C 176.177 0.050 1 541 . 62 GLY N N 107.778 0.050 1 542 . 62 GLY H H 8.183 0.005 1 543 . 62 GLY CA C 44.869 0.050 1 544 . 62 GLY HA2 H 4.261 0.005 1 545 . 62 GLY HA3 H 3.235 0.005 1 546 . 63 ASP N N 118.652 0.050 1 547 . 63 ASP H H 7.977 0.005 1 548 . 63 ASP CG C 177.907 0.050 1 549 . 64 LEU N N 121.828 0.050 1 550 . 64 LEU H H 7.293 0.005 1 551 . 64 LEU CA C 53.199 0.050 1 552 . 64 LEU HA H 4.347 0.005 1 553 . 64 LEU CB C 42.383 0.050 1 554 . 64 LEU CG C 26.263 0.050 1 555 . 64 LEU HG H 0.872 0.005 1 556 . 64 LEU CD1 C 23.519 0.050 2 557 . 64 LEU HD1 H 0.412 0.005 2 558 . 64 LEU CD2 C 25.951 0.050 2 559 . 64 LEU HD2 H 0.113 0.005 2 560 . 64 LEU HB2 H 0.281 0.005 1 561 . 64 LEU HB3 H 0.281 0.005 1 562 . 65 LYS N N 128.363 0.050 1 563 . 65 LYS H H 9.017 0.005 1 564 . 65 LYS CA C 54.493 0.050 1 565 . 65 LYS HA H 5.015 0.005 1 566 . 65 LYS CB C 35.029 0.050 1 567 . 65 LYS HB2 H 1.526 0.005 2 568 . 65 LYS HB3 H 1.412 0.005 2 569 . 65 LYS CG C 24.672 0.050 1 570 . 65 LYS HG2 H 1.225 0.005 2 571 . 65 LYS HG3 H 0.851 0.005 2 572 . 65 LYS CD C 29.384 0.050 1 573 . 65 LYS CE C 42.219 0.050 1 574 . 65 LYS HD2 H 1.526 0.005 1 575 . 65 LYS HD3 H 1.526 0.005 1 576 . 65 LYS HE2 H 2.810 0.005 1 577 . 65 LYS HE3 H 2.810 0.005 1 578 . 66 ILE N N 127.184 0.050 1 579 . 66 ILE H H 8.619 0.005 1 580 . 66 ILE CB C 38.662 0.050 1 581 . 66 ILE HB H 1.546 0.005 1 582 . 66 ILE CG1 C 27.261 0.050 1 583 . 66 ILE HG12 H 1.258 0.005 2 584 . 66 ILE HG13 H 0.778 0.005 2 585 . 66 ILE CG2 C 17.260 0.050 1 586 . 66 ILE HG2 H 0.491 0.005 1 587 . 66 ILE CD1 C 13.789 0.050 1 588 . 66 ILE HD1 H 0.454 0.005 1 589 . 67 LYS N N 125.868 0.050 1 590 . 67 LYS H H 8.111 0.005 1 591 . 67 LYS CA C 59.235 0.050 1 592 . 67 LYS HA H 3.757 0.005 1 593 . 67 LYS CB C 33.291 0.050 1 594 . 67 LYS HB2 H 1.689 0.005 2 595 . 67 LYS HB3 H 1.477 0.005 2 596 . 67 LYS CG C 25.759 0.050 1 597 . 67 LYS HG2 H 1.168 0.005 2 598 . 67 LYS HG3 H 1.127 0.005 2 599 . 67 LYS CD C 29.438 0.050 1 600 . 67 LYS CE C 42.250 0.050 1 601 . 67 LYS HE2 H 2.806 0.005 1 602 . 67 LYS HE3 H 2.665 0.005 1 603 . 67 LYS HD2 H 1.575 0.005 1 604 . 67 LYS HD3 H 1.575 0.005 1 605 . 68 ASN N N 116.376 0.050 1 606 . 68 ASN H H 8.135 0.005 1 607 . 68 ASN CA C 53.058 0.050 1 608 . 68 ASN HA H 3.921 0.005 1 609 . 68 ASN CB C 39.378 0.050 1 610 . 68 ASN HB2 H 2.539 0.005 2 611 . 68 ASN HB3 H 2.282 0.005 2 612 . 68 ASN CG C 176.530 0.050 1 613 . 69 LEU N N 123.937 0.050 1 614 . 69 LEU H H 8.194 0.005 1 615 . 69 LEU CA C 56.904 0.050 1 616 . 69 LEU HA H 4.009 0.005 1 617 . 69 LEU CG C 26.957 0.050 1 618 . 69 LEU HG H 1.564 0.005 1 619 . 69 LEU CD1 C 25.771 0.050 2 620 . 69 LEU HD1 H 0.771 0.005 2 621 . 69 LEU CD2 C 25.645 0.050 2 622 . 69 LEU HD2 H 0.701 0.005 2 623 . 70 THR N N 116.228 0.050 1 624 . 70 THR H H 8.023 0.005 1 625 . 70 THR CA C 59.989 0.050 1 626 . 70 THR HA H 4.720 0.005 1 627 . 70 THR CB C 71.798 0.050 1 628 . 70 THR HB H 4.481 0.005 1 629 . 70 THR CG2 C 21.720 0.050 1 630 . 70 THR HG2 H 1.168 0.005 1 631 . 71 ARG N N 120.991 0.050 1 632 . 71 ARG H H 9.044 0.005 1 633 . 71 ARG CA C 60.087 0.050 1 634 . 71 ARG HA H 3.857 0.005 1 635 . 71 ARG CB C 29.799 0.050 1 636 . 71 ARG CG C 28.659 0.050 1 637 . 71 ARG CD C 43.191 0.050 1 638 . 71 ARG HB2 H 1.925 0.005 1 639 . 71 ARG HB3 H 1.925 0.005 1 640 . 71 ARG HG2 H 1.811 0.005 1 641 . 71 ARG HG3 H 1.811 0.005 1 642 . 71 ARG HD2 H 3.242 0.005 1 643 . 71 ARG HD3 H 3.242 0.005 1 644 . 72 ASP N N 116.318 0.050 1 645 . 72 ASP H H 8.251 0.005 1 646 . 72 ASP CG C 178.089 0.050 1 647 . 73 ASP N N 115.669 0.050 1 648 . 73 ASP H H 7.711 0.005 1 649 . 73 ASP CA C 53.775 0.050 1 650 . 73 ASP HA H 4.771 0.005 1 651 . 73 ASP CB C 37.893 0.050 1 652 . 73 ASP HB2 H 3.101 0.005 2 653 . 73 ASP HB3 H 2.730 0.005 2 654 . 73 ASP CG C 175.389 0.050 1 655 . 74 SER N N 116.048 0.050 1 656 . 74 SER H H 7.559 0.005 1 657 . 74 SER CA C 59.117 0.050 1 658 . 74 SER HA H 4.227 0.005 1 659 . 74 SER CB C 64.075 0.050 1 660 . 74 SER HB2 H 4.152 0.005 2 661 . 74 SER HB3 H 3.906 0.005 2 662 . 75 GLY N N 110.939 0.050 1 663 . 75 GLY H H 8.873 0.005 1 664 . 75 GLY CA C 44.286 0.050 1 665 . 75 GLY HA2 H 4.534 0.005 1 666 . 75 GLY HA3 H 3.916 0.005 1 667 . 76 THR N N 117.092 0.050 1 668 . 76 THR H H 8.341 0.005 1 669 . 76 THR CA C 63.341 0.050 1 670 . 76 THR HA H 5.008 0.005 1 671 . 76 THR CB C 69.623 0.050 1 672 . 76 THR HB H 3.944 0.005 1 673 . 76 THR CG2 C 22.283 0.050 1 674 . 76 THR HG2 H 1.128 0.005 1 675 . 77 TYR N N 129.881 0.050 1 676 . 77 TYR H H 9.852 0.005 1 677 . 77 TYR CA C 57.132 0.050 1 678 . 77 TYR HA H 5.236 0.005 1 679 . 78 ASN N N 121.420 0.050 1 680 . 78 ASN H H 9.555 0.005 1 681 . 78 ASN CA C 52.538 0.050 1 682 . 78 ASN HA H 5.560 0.005 1 683 . 78 ASN CB C 42.804 0.050 1 684 . 78 ASN CG C 176.075 0.050 1 685 . 78 ASN HB2 H 2.547 0.005 1 686 . 78 ASN HB3 H 2.547 0.005 1 687 . 79 VAL N N 126.266 0.050 1 688 . 79 VAL H H 9.176 0.005 1 689 . 79 VAL CA C 57.279 0.050 1 690 . 79 VAL HA H 5.010 0.005 1 691 . 79 VAL CB C 32.487 0.050 1 692 . 79 VAL HB H -0.393 0.005 1 693 . 79 VAL CG1 C 18.502 0.050 2 694 . 79 VAL HG1 H 0.229 0.005 2 695 . 79 VAL CG2 C 21.571 0.050 2 696 . 79 VAL HG2 H -0.429 0.005 2 697 . 80 THR N N 120.744 0.050 1 698 . 80 THR H H 8.347 0.005 1 699 . 80 THR CA C 59.696 0.050 1 700 . 80 THR HA H 4.936 0.005 1 701 . 80 THR CB C 71.591 0.050 1 702 . 80 THR HB H 3.594 0.005 1 703 . 80 THR CG2 C 22.043 0.050 1 704 . 80 THR HG2 H 0.967 0.005 1 705 . 81 VAL N N 123.744 0.050 1 706 . 81 VAL H H 7.773 0.005 1 707 . 81 VAL CA C 60.384 0.050 1 708 . 81 VAL HA H 4.914 0.005 1 709 . 81 VAL CB C 35.168 0.050 1 710 . 81 VAL HB H 1.588 0.005 1 711 . 81 VAL CG1 C 23.343 0.050 2 712 . 81 VAL HG1 H 1.078 0.005 2 713 . 81 VAL CG2 C 21.337 0.050 2 714 . 81 VAL HG2 H 0.373 0.005 2 715 . 82 TYR N N 125.052 0.050 1 716 . 82 TYR H H 9.053 0.005 1 717 . 82 TYR CA C 56.137 0.050 1 718 . 82 TYR HA H 5.607 0.005 1 719 . 83 SER N N 119.647 0.050 1 720 . 83 SER H H 9.348 0.005 1 721 . 83 SER CA C 57.107 0.050 1 722 . 83 SER HA H 5.342 0.005 1 723 . 83 SER CB C 65.543 0.050 1 724 . 83 SER HB2 H 4.451 0.005 2 725 . 83 SER HB3 H 3.922 0.005 2 726 . 84 THR N N 115.340 0.050 1 727 . 84 THR H H 8.584 0.005 1 728 . 84 THR CA C 65.152 0.050 1 729 . 84 THR HA H 3.954 0.005 1 730 . 84 THR CB C 68.846 0.050 1 731 . 84 THR HB H 4.310 0.005 1 732 . 84 THR CG2 C 22.342 0.050 1 733 . 84 THR HG2 H 1.243 0.005 1 734 . 85 ASN N N 118.621 0.050 1 735 . 85 ASN H H 8.190 0.005 1 736 . 85 ASN CA C 52.742 0.050 1 737 . 85 ASN HA H 4.799 0.005 1 738 . 85 ASN CB C 37.522 0.050 1 739 . 85 ASN HB2 H 3.366 0.005 2 740 . 85 ASN HB3 H 2.742 0.005 2 741 . 85 ASN CG C 177.453 0.050 1 742 . 86 GLY N N 108.454 0.050 1 743 . 86 GLY H H 8.221 0.005 1 744 . 86 GLY CA C 45.341 0.050 1 745 . 86 GLY HA2 H 4.273 0.005 1 746 . 86 GLY HA3 H 3.744 0.005 1 747 . 87 THR N N 117.393 0.050 1 748 . 87 THR H H 7.692 0.005 1 749 . 87 THR CA C 63.315 0.050 1 750 . 87 THR HA H 4.148 0.005 1 751 . 87 THR CB C 69.571 0.050 1 752 . 87 THR HB H 4.131 0.005 1 753 . 87 THR CG2 C 21.056 0.050 1 754 . 87 THR HG2 H 1.035 0.005 1 755 . 88 ARG N N 128.486 0.050 1 756 . 88 ARG H H 8.993 0.005 1 757 . 88 ARG CA C 56.210 0.050 1 758 . 88 ARG HA H 4.119 0.005 1 759 . 88 ARG CB C 30.080 0.050 1 760 . 88 ARG HB2 H 1.876 0.005 2 761 . 88 ARG HB3 H 1.559 0.005 2 762 . 88 ARG CG C 26.950 0.050 1 763 . 88 ARG CD C 44.023 0.050 1 764 . 88 ARG HG2 H 0.997 0.005 1 765 . 88 ARG HG3 H 0.997 0.005 1 766 . 88 ARG HD2 H 3.044 0.005 1 767 . 88 ARG HD3 H 3.044 0.005 1 768 . 89 ILE N N 126.259 0.050 1 769 . 89 ILE H H 8.600 0.005 1 770 . 89 ILE CA C 61.482 0.050 1 771 . 89 ILE HA H 4.227 0.005 1 772 . 89 ILE CB C 39.229 0.050 1 773 . 89 ILE HB H 1.809 0.005 1 774 . 89 ILE CG1 C 26.846 0.050 1 775 . 89 ILE HG12 H 1.209 0.005 2 776 . 89 ILE HG13 H 1.075 0.005 2 777 . 89 ILE CD1 C 13.178 0.050 1 778 . 89 ILE HD1 H 0.845 0.005 1 779 . 90 LEU N N 119.649 0.050 1 780 . 90 LEU H H 7.195 0.005 1 781 . 90 LEU CA C 55.342 0.050 1 782 . 90 LEU HA H 4.454 0.005 1 783 . 90 LEU CB C 45.453 0.050 1 784 . 90 LEU HB2 H 1.452 0.005 2 785 . 90 LEU HB3 H 1.328 0.005 2 786 . 90 LEU CG C 26.775 0.050 1 787 . 90 LEU HG H 1.346 0.005 1 788 . 90 LEU CD1 C 26.120 0.050 2 789 . 90 LEU HD1 H 0.675 0.005 2 790 . 90 LEU CD2 C 26.701 0.050 2 791 . 90 LEU HD2 H 0.540 0.005 2 792 . 91 ASN N N 123.153 0.050 1 793 . 91 ASN H H 8.479 0.005 1 794 . 91 ASN CA C 53.064 0.050 1 795 . 91 ASN HA H 5.349 0.005 1 796 . 91 ASN CB C 40.604 0.050 1 797 . 91 ASN HB2 H 2.644 0.005 2 798 . 91 ASN HB3 H 2.327 0.005 2 799 . 91 ASN CG C 176.214 0.050 1 800 . 92 LYS N N 124.227 0.050 1 801 . 92 LYS H H 8.669 0.005 1 802 . 92 LYS CA C 54.181 0.050 1 803 . 92 LYS HA H 4.761 0.005 1 804 . 92 LYS CB C 37.204 0.050 1 805 . 92 LYS HB2 H 1.665 0.005 2 806 . 92 LYS HB3 H 1.347 0.005 2 807 . 92 LYS CG C 25.407 0.050 1 808 . 92 LYS CD C 29.125 0.050 1 809 . 92 LYS HD2 H 1.811 0.005 2 810 . 92 LYS HD3 H 1.583 0.005 2 811 . 92 LYS HG2 H 1.325 0.005 1 812 . 92 LYS HG3 H 1.325 0.005 1 813 . 93 ALA N N 124.932 0.050 1 814 . 93 ALA H H 8.394 0.005 1 815 . 93 ALA CA C 50.617 0.050 1 816 . 93 ALA HA H 5.483 0.005 1 817 . 93 ALA CB C 21.730 0.050 1 818 . 93 ALA HB H 1.274 0.005 1 819 . 94 LEU N N 123.947 0.050 1 820 . 94 LEU H H 9.427 0.005 1 821 . 94 LEU CA C 53.952 0.050 1 822 . 94 LEU HA H 4.923 0.005 1 823 . 94 LEU CB C 46.008 0.050 1 824 . 94 LEU HB2 H 1.738 0.005 2 825 . 94 LEU HB3 H 1.469 0.005 2 826 . 94 LEU CG C 27.914 0.050 1 827 . 94 LEU HG H 1.690 0.005 1 828 . 94 LEU CD1 C 25.900 0.050 2 829 . 94 LEU HD1 H 1.006 0.005 2 830 . 94 LEU CD2 C 25.255 0.050 2 831 . 94 LEU HD2 H 0.906 0.005 2 832 . 95 ASP N N 122.340 0.050 1 833 . 95 ASP H H 8.779 0.005 1 834 . 95 ASP CA C 52.130 0.050 1 835 . 95 ASP HA H 5.103 0.005 1 836 . 95 ASP CB C 39.644 0.050 1 837 . 95 ASP CG C 176.525 0.050 1 838 . 95 ASP HB2 H 2.659 0.005 1 839 . 95 ASP HB3 H 2.659 0.005 1 840 . 96 LEU N N 129.407 0.050 1 841 . 96 LEU H H 9.078 0.005 1 842 . 96 LEU CA C 54.236 0.050 1 843 . 96 LEU HA H 4.961 0.005 1 844 . 96 LEU CB C 43.315 0.050 1 845 . 96 LEU HB2 H 2.348 0.005 2 846 . 96 LEU HB3 H 1.591 0.005 2 847 . 96 LEU CG C 28.451 0.050 1 848 . 96 LEU HG H 1.242 0.005 1 849 . 96 LEU CD1 C 26.244 0.050 2 850 . 96 LEU HD1 H 0.694 0.005 2 851 . 96 LEU CD2 C 24.423 0.050 2 852 . 96 LEU HD2 H 0.661 0.005 2 853 . 97 ARG N N 129.101 0.050 1 854 . 97 ARG H H 8.870 0.005 1 855 . 97 ARG CA C 53.940 0.050 1 856 . 97 ARG HA H 4.447 0.005 1 857 . 97 ARG CB C 32.233 0.050 1 858 . 97 ARG HB2 H 1.079 0.005 2 859 . 97 ARG HB3 H -0.004 0.005 2 860 . 97 ARG CG C 26.892 0.050 1 861 . 97 ARG HG2 H 1.033 0.005 2 862 . 97 ARG HG3 H 0.843 0.005 2 863 . 97 ARG CD C 42.987 0.050 1 864 . 97 ARG HD2 H 2.691 0.005 2 865 . 97 ARG HD3 H 2.492 0.005 2 866 . 98 ILE N N 120.636 0.050 1 867 . 98 ILE H H 8.436 0.005 1 868 . 98 ILE CA C 58.902 0.050 1 869 . 98 ILE HA H 4.706 0.005 1 870 . 98 ILE CB C 38.244 0.050 1 871 . 98 ILE HB H 1.899 0.005 1 872 . 98 ILE CG1 C 27.915 0.050 1 873 . 98 ILE HG12 H 1.380 0.005 2 874 . 98 ILE HG13 H 1.193 0.005 2 875 . 98 ILE CG2 C 18.000 0.050 1 876 . 98 ILE HG2 H 0.865 0.005 1 877 . 98 ILE CD1 C 11.444 0.050 1 878 . 98 ILE HD1 H 0.659 0.005 1 879 . 99 LEU N N 130.035 0.050 1 880 . 99 LEU H H 8.897 0.005 1 881 . 99 LEU CA C 55.370 0.050 1 882 . 99 LEU HA H 4.520 0.005 1 883 . 99 LEU CB C 43.238 0.050 1 884 . 99 LEU CD1 C 24.910 0.050 2 885 . 99 LEU HD1 H 0.734 0.005 2 886 . 99 LEU CD2 C 24.107 0.050 2 887 . 99 LEU HD2 H 0.719 0.005 2 888 . 99 LEU HB2 H 1.598 0.005 1 889 . 99 LEU HB3 H 1.598 0.005 1 890 . 100 GLU N N 125.657 0.050 1 891 . 100 GLU H H 8.394 0.005 1 892 . 100 GLU CA C 55.864 0.050 1 893 . 100 GLU HA H 4.349 0.005 1 894 . 100 GLU CB C 28.918 0.050 1 895 . 100 GLU HB2 H 2.169 0.005 2 896 . 100 GLU HB3 H 2.006 0.005 2 897 . 100 GLU CG C 33.263 0.050 1 898 . 100 GLU CD C 180.341 0.050 1 899 . 100 GLU HG2 H 2.493 0.005 1 900 . 100 GLU HG3 H 2.493 0.005 1 stop_ save_ save_chemical_shift_assignment_two _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions_two _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name CD2d1 _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 . 2 ARG N N 124.826 0.050 1 2 . 2 ARG H H 8.810 0.005 1 3 . 2 ARG CA C 56.542 0.005 1 4 . 2 ARG HA H 4.429 0.005 1 5 . 2 ARG CB C 31.094 0.005 1 6 . 2 ARG HB2 H 1.901 0.005 2 7 . 2 ARG HB3 H 1.851 0.005 2 8 . 2 ARG CG C 27.179 0.005 1 9 . 2 ARG HG2 H 1.672 0.005 1 10 . 2 ARG HG3 H 1.672 0.005 1 11 . 2 ARG CD C 43.398 0.005 1 12 . 2 ARG HD2 H 3.231 0.005 1 13 . 2 ARG HD3 H 3.231 0.005 1 14 . 2 ARG NE N 85.585 0.005 1 15 . 2 ARG HE H 7.203 0.005 1 16 . 2 ARG CZ C 157.792 0.050 1 17 . 2 ARG C C 175.680 0.050 1 18 . 3 ASP N N 123.172 0.050 1 19 . 3 ASP H H 8.632 0.005 1 20 . 3 ASP CA C 54.584 0.005 1 21 . 3 ASP HA H 4.725 0.005 1 22 . 3 ASP CB C 41.255 0.005 1 23 . 3 ASP HB2 H 2.848 0.005 2 24 . 3 ASP HB3 H 2.756 0.005 2 25 . 3 ASP CG C 180.154 0.050 1 26 . 3 ASP C C 176.221 0.050 1 27 . 4 SER N N 117.632 0.050 1 28 . 4 SER H H 8.459 0.005 1 29 . 4 SER CA C 58.593 0.005 1 30 . 4 SER HA H 4.670 0.005 1 31 . 4 SER CB C 64.186 0.005 1 32 . 4 SER HB2 H 3.955 0.005 1 33 . 4 SER HB3 H 3.955 0.005 1 34 . 4 SER C C 175.156 0.050 1 35 . 5 GLY N N 111.681 0.050 1 36 . 5 GLY H H 8.562 0.005 1 37 . 5 GLY CA C 45.636 0.005 1 38 . 5 GLY HA2 H 4.268 0.005 2 39 . 5 GLY HA3 H 4.049 0.005 2 40 . 5 GLY C C 173.381 0.050 1 41 . 6 THR N N 118.797 0.050 1 42 . 6 THR H H 8.027 0.005 1 43 . 6 THR CA C 62.601 0.005 1 44 . 6 THR HA H 4.905 0.005 1 45 . 6 THR CB C 70.711 0.005 1 46 . 6 THR HB H 3.812 0.005 1 47 . 6 THR HG2 H 0.483 0.005 2 48 . 6 THR CG2 C 21.306 0.005 1 49 . 6 THR C C 173.354 0.050 1 50 . 7 VAL N N 128.868 0.050 1 51 . 7 VAL H H 9.011 0.005 1 52 . 7 VAL CA C 61.016 0.005 1 53 . 7 VAL HA H 4.317 0.005 1 54 . 7 VAL CB C 34.636 0.005 1 55 . 7 VAL HB H 1.837 0.005 1 56 . 7 VAL HG1 H 0.941 0.005 2 57 . 7 VAL HG2 H 0.913 0.005 2 58 . 7 VAL CG1 C 21.027 0.005 2 59 . 7 VAL CG2 C 21.679 0.005 2 60 . 7 VAL C C 173.069 0.050 1 61 . 8 TRP N N 126.526 0.050 1 62 . 8 TRP H H 8.519 0.005 1 63 . 8 TRP CA C 56.110 0.005 1 64 . 8 TRP HA H 5.299 0.005 1 65 . 8 TRP CB C 31.094 0.005 1 66 . 8 TRP HB2 H 2.990 0.005 1 67 . 8 TRP HB3 H 2.990 0.005 1 68 . 8 TRP CD1 C 127.001 0.050 1 69 . 8 TRP CE3 C 120.750 0.050 1 70 . 8 TRP NE1 N 130.070 0.050 1 71 . 8 TRP HD1 H 7.115 0.005 1 72 . 8 TRP HE3 H 7.273 0.005 1 73 . 8 TRP CZ3 C 122.447 0.050 1 74 . 8 TRP CZ2 C 114.361 0.050 1 75 . 8 TRP HE1 H 10.166 0.005 1 76 . 8 TRP HZ3 H 7.030 0.005 1 77 . 8 TRP CH2 C 124.414 0.050 1 78 . 8 TRP HZ2 H 7.421 0.005 1 79 . 8 TRP HH2 H 7.148 0.005 1 80 . 8 TRP C C 176.615 0.050 1 81 . 9 GLY N N 109.466 0.050 1 82 . 9 GLY H H 8.869 0.005 1 83 . 9 GLY CA C 43.958 0.005 1 84 . 9 GLY HA2 H 4.650 0.005 2 85 . 9 GLY HA3 H 3.262 0.005 2 86 . 9 GLY C C 170.857 0.050 1 87 . 10 ALA N N 124.804 0.050 1 88 . 10 ALA H H 8.299 0.005 1 89 . 10 ALA CA C 50.296 0.005 1 90 . 10 ALA HA H 4.894 0.005 1 91 . 10 ALA HB H 1.145 0.005 1 92 . 10 ALA CB C 20.467 0.005 1 93 . 10 ALA C C 176.984 0.050 1 94 . 11 LEU N N 123.040 0.050 1 95 . 11 LEU H H 8.689 0.005 1 96 . 11 LEU CA C 56.169 0.005 1 97 . 11 LEU HA H 3.808 0.005 1 98 . 11 LEU CB C 42.000 0.005 1 99 . 11 LEU HB2 H 1.646 0.005 2 100 . 11 LEU HB3 H 1.559 0.005 2 101 . 11 LEU CG C 26.620 0.005 1 102 . 11 LEU HG H 1.757 0.005 1 103 . 11 LEU HD1 H 0.969 0.005 2 104 . 11 LEU HD2 H 0.820 0.005 2 105 . 11 LEU CD1 C 25.221 0.005 2 106 . 11 LEU CD2 C 24.382 0.005 2 107 . 11 LEU C C 179.413 0.050 1 108 . 12 GLY N N 112.388 0.050 1 109 . 12 GLY H H 9.367 0.005 1 110 . 12 GLY CA C 45.636 0.005 1 111 . 12 GLY HA2 H 4.090 0.005 2 112 . 12 GLY HA3 H 3.906 0.005 2 113 . 12 GLY C C 173.959 0.050 1 114 . 13 HIS N N 117.801 0.050 1 115 . 13 HIS H H 7.903 0.005 1 116 . 13 HIS CA C 53.932 0.005 1 117 . 13 HIS HA H 4.958 0.005 1 118 . 13 HIS CB C 31.280 0.005 1 119 . 13 HIS HB2 H 3.429 0.005 2 120 . 13 HIS HB3 H 3.321 0.005 2 121 . 13 HIS CD2 C 120.004 0.050 1 122 . 13 HIS HD2 H 7.206 0.005 1 123 . 13 HIS CE1 C 136.257 0.050 1 124 . 13 HIS HE1 H 8.552 0.005 1 125 . 13 HIS C C 174.375 0.050 1 126 . 14 GLY N N 110.116 0.050 1 127 . 14 GLY H H 8.643 0.005 1 128 . 14 GLY CA C 45.076 0.005 1 129 . 14 GLY HA2 H 4.688 0.005 2 130 . 14 GLY HA3 H 3.579 0.005 2 131 . 14 GLY C C 174.259 0.050 1 132 . 15 ILE N N 120.807 0.050 1 133 . 15 ILE H H 8.662 0.005 1 134 . 15 ILE CA C 59.245 0.005 1 135 . 15 ILE HA H 4.543 0.005 1 136 . 15 ILE CB C 41.814 0.005 1 137 . 15 ILE HB H 1.844 0.005 1 138 . 15 ILE HG2 H 0.737 0.005 1 139 . 15 ILE CG2 C 18.044 0.005 1 140 . 15 ILE CG1 C 29.043 0.005 1 141 . 15 ILE HG12 H 1.428 0.005 1 142 . 15 ILE HG13 H 1.039 0.005 1 143 . 15 ILE HD1 H 0.883 0.005 1 144 . 15 ILE CD1 C 14.781 0.005 1 145 . 15 ILE C C 171.074 0.050 1 146 . 16 ASN N N 124.034 0.050 1 147 . 16 ASN H H 7.855 0.005 1 148 . 16 ASN CA C 51.229 0.005 1 149 . 16 ASN HA H 5.323 0.005 1 150 . 16 ASN CB C 39.111 0.005 1 151 . 16 ASN HB2 H 2.593 0.005 2 152 . 16 ASN HB3 H 2.233 0.005 2 153 . 16 ASN CG C 175.960 0.050 1 154 . 16 ASN ND2 N 111.041 0.050 1 155 . 16 ASN HD21 H 7.339 0.005 1 156 . 16 ASN HD22 H 6.486 0.005 1 157 . 16 ASN C C 174.179 0.050 1 158 . 17 LEU N N 125.756 0.050 1 159 . 17 LEU H H 9.369 0.005 1 160 . 17 LEU CA C 54.025 0.005 1 161 . 17 LEU HA H 4.305 0.005 1 162 . 17 LEU CB C 41.348 0.005 1 163 . 17 LEU HB2 H 1.242 0.005 2 164 . 17 LEU HB3 H 1.046 0.005 2 165 . 17 LEU CG C 27.272 0.005 1 166 . 17 LEU HG H 1.161 0.005 1 167 . 17 LEU HD1 H 0.479 0.005 2 168 . 17 LEU HD2 H 0.106 0.005 2 169 . 17 LEU CD1 C 24.103 0.005 2 170 . 17 LEU CD2 C 25.408 0.005 2 171 . 17 LEU C C 173.943 0.050 1 172 . 18 ASN N N 120.506 0.050 1 173 . 18 ASN H H 8.072 0.005 1 174 . 18 ASN CA C 51.881 0.005 1 175 . 18 ASN HA H 4.836 0.005 1 176 . 18 ASN CB C 40.695 0.005 1 177 . 18 ASN HB2 H 2.707 0.005 2 178 . 18 ASN HB3 H 2.547 0.005 2 179 . 18 ASN CG C 176.892 0.050 1 180 . 18 ASN ND2 N 112.627 0.050 1 181 . 18 ASN HD21 H 7.972 0.005 1 182 . 18 ASN HD22 H 6.785 0.005 1 183 . 18 ASN C C 174.928 0.050 1 184 . 19 ILE N N 124.306 0.050 1 185 . 19 ILE H H 8.230 0.005 1 186 . 19 ILE CA C 60.457 0.005 1 187 . 19 ILE HA H 3.957 0.005 1 188 . 19 ILE CB C 37.339 0.005 1 189 . 19 ILE HB H 1.967 0.005 1 190 . 19 ILE HG2 H 0.391 0.005 1 191 . 19 ILE CG2 C 18.137 0.005 1 192 . 19 ILE CG1 C 28.950 0.005 1 193 . 19 ILE HG12 H 2.134 0.005 1 194 . 19 ILE HG13 H 0.685 0.005 1 195 . 19 ILE HD1 H 0.485 0.005 1 196 . 19 ILE CD1 C 12.917 0.005 1 197 . 19 ILE C C 174.655 0.050 1 198 . 20 PRO CD C 50.390 0.005 1 199 . 20 PRO CA C 63.254 0.005 1 200 . 20 PRO HA H 4.356 0.005 1 201 . 20 PRO CB C 32.213 0.005 1 202 . 20 PRO HB2 H 2.301 0.005 2 203 . 20 PRO HB3 H 1.860 0.005 2 204 . 20 PRO CG C 27.552 0.005 1 205 . 20 PRO HG2 H 2.024 0.005 1 206 . 20 PRO HG3 H 2.024 0.005 1 207 . 20 PRO HD2 H 4.233 0.005 1 208 . 20 PRO HD3 H 3.252 0.005 1 209 . 20 PRO C C 176.612 0.050 1 210 . 21 ASN N N 117.598 0.050 1 211 . 21 ASN H H 8.856 0.005 1 212 . 21 ASN CA C 54.212 0.005 1 213 . 21 ASN HA H 4.293 0.005 1 214 . 21 ASN CB C 37.992 0.005 1 215 . 21 ASN HB2 H 3.004 0.005 2 216 . 21 ASN HB3 H 2.722 0.005 2 217 . 21 ASN CG C 178.756 0.050 1 218 . 21 ASN ND2 N 113.430 0.050 1 219 . 21 ASN HD21 H 7.600 0.005 1 220 . 21 ASN HD22 H 6.925 0.005 1 221 . 21 ASN C C 173.512 0.050 1 222 . 22 PHE N N 118.671 0.050 1 223 . 22 PHE H H 7.548 0.005 1 224 . 22 PHE CA C 57.567 0.005 1 225 . 22 PHE HA H 4.761 0.005 1 226 . 22 PHE CB C 43.398 0.005 1 227 . 22 PHE HB2 H 2.787 0.005 2 228 . 22 PHE HB3 H 2.438 0.005 2 229 . 22 PHE HD1 H 7.196 0.005 1 230 . 22 PHE HD2 H 7.196 0.005 1 231 . 22 PHE C C 173.585 0.050 1 232 . 23 GLN N N 126.922 0.050 1 233 . 23 GLN H H 7.021 0.005 1 234 . 23 GLN CA C 53.745 0.005 1 235 . 23 GLN HA H 4.222 0.005 1 236 . 23 GLN CB C 31.450 0.005 1 237 . 23 GLN HB2 H 1.724 0.005 2 238 . 23 GLN HB3 H 1.641 0.005 2 239 . 23 GLN CG C 33.424 0.005 1 240 . 23 GLN HG2 H 2.121 0.005 1 241 . 23 GLN HG3 H 2.121 0.005 1 242 . 23 GLN CD C 180.680 0.050 1 243 . 23 GLN NE2 N 113.021 0.050 1 244 . 23 GLN HE21 H 7.406 0.005 1 245 . 23 GLN HE22 H 6.740 0.005 1 246 . 23 GLN C C 172.754 0.050 1 247 . 24 MET N N 124.340 0.050 1 248 . 24 MET H H 8.419 0.005 1 249 . 24 MET CA C 55.517 0.005 1 250 . 24 MET HA H 4.084 0.005 1 251 . 24 MET CB C 31.280 0.005 1 252 . 24 MET HB2 H 1.976 0.005 2 253 . 24 MET HB3 H 1.914 0.005 2 254 . 24 MET CG C 31.933 0.005 1 255 . 24 MET HG2 H 2.738 0.005 2 256 . 24 MET HG3 H 2.362 0.005 2 257 . 24 MET C C 175.563 0.050 1 258 . 25 THR N N 117.163 0.050 1 259 . 25 THR H H 6.826 0.005 1 260 . 25 THR CA C 60.177 0.005 1 261 . 25 THR HA H 4.709 0.005 1 262 . 25 THR CB C 72.482 0.005 1 263 . 25 THR HB H 4.519 0.005 1 264 . 25 THR HG2 H 1.066 0.005 2 265 . 25 THR CG2 C 21.399 0.005 1 266 . 25 THR C C 175.523 0.050 1 267 . 26 ASP N N 119.337 0.050 1 268 . 26 ASP H H 8.731 0.005 1 269 . 26 ASP CA C 56.356 0.005 1 270 . 26 ASP HA H 4.531 0.005 1 271 . 26 ASP CB C 40.635 0.005 1 272 . 26 ASP HB2 H 2.785 0.005 2 273 . 26 ASP HB3 H 2.689 0.005 2 274 . 26 ASP CG C 180.154 0.050 1 275 . 26 ASP C C 175.654 0.050 1 276 . 27 ASP N N 116.510 0.050 1 277 . 27 ASP H H 8.128 0.005 1 278 . 27 ASP CA C 54.376 0.005 1 279 . 27 ASP HA H 4.740 0.005 1 280 . 27 ASP CB C 40.788 0.005 1 281 . 27 ASP HB2 H 2.735 0.005 2 282 . 27 ASP HB3 H 2.604 0.005 2 283 . 27 ASP CG C 180.434 0.050 1 284 . 27 ASP C C 175.121 0.050 1 285 . 28 ILE N N 120.158 0.050 1 286 . 28 ILE H H 7.522 0.005 1 287 . 28 ILE CA C 59.245 0.005 1 288 . 28 ILE HA H 4.176 0.005 1 289 . 28 ILE CB C 35.568 0.005 1 290 . 28 ILE HB H 2.677 0.005 1 291 . 28 ILE HG2 H 1.012 0.005 1 292 . 28 ILE CG2 C 18.603 0.005 1 293 . 28 ILE CG1 C 27.086 0.005 1 294 . 28 ILE HG12 H 2.057 0.005 1 295 . 28 ILE HG13 H 1.724 0.005 1 296 . 28 ILE HD1 H 0.862 0.005 1 297 . 28 ILE CD1 C 9.654 0.005 1 298 . 28 ILE C C 175.192 0.050 1 299 . 29 ASP N N 127.844 0.050 1 300 . 29 ASP H H 8.953 0.005 1 301 . 29 ASP CA C 55.051 0.005 1 302 . 29 ASP HA H 4.959 0.005 1 303 . 29 ASP CB C 45.948 0.005 1 304 . 29 ASP HB2 H 2.314 0.005 1 305 . 29 ASP HB3 H 2.314 0.005 1 306 . 29 ASP CG C 177.824 0.050 1 307 . 29 ASP C C 174.698 0.050 1 308 . 30 GLU N N 116.190 0.050 1 309 . 30 GLU H H 7.769 0.005 1 310 . 30 GLU CA C 54.398 0.005 1 311 . 30 GLU HA H 5.707 0.005 1 312 . 30 GLU CB C 34.450 0.005 1 313 . 30 GLU HB2 H 2.099 0.005 2 314 . 30 GLU HB3 H 1.945 0.005 2 315 . 30 GLU CG C 34.823 0.005 1 316 . 30 GLU HG2 H 2.611 0.005 2 317 . 30 GLU HG3 H 2.102 0.005 2 318 . 30 GLU CD C 180.384 0.050 1 319 . 30 GLU C C 174.772 0.050 1 320 . 31 VAL N N 126.091 0.050 1 321 . 31 VAL H H 9.105 0.005 1 322 . 31 VAL CA C 62.228 0.005 1 323 . 31 VAL HA H 4.755 0.005 1 324 . 31 VAL CB C 35.382 0.005 1 325 . 31 VAL HB H 2.174 0.005 1 326 . 31 VAL HG1 H 0.940 0.005 2 327 . 31 VAL HG2 H 0.840 0.005 2 328 . 31 VAL CG1 C 21.027 0.005 2 329 . 31 VAL CG2 C 21.772 0.005 2 330 . 31 VAL C C 174.469 0.050 1 331 . 32 ARG N N 127.878 0.050 1 332 . 32 ARG H H 9.348 0.005 1 333 . 32 ARG CA C 55.330 0.005 1 334 . 32 ARG HA H 5.133 0.005 1 335 . 32 ARG CB C 33.890 0.005 1 336 . 32 ARG HB2 H 1.913 0.005 2 337 . 32 ARG HB3 H 1.857 0.005 2 338 . 32 ARG CG C 28.391 0.005 1 339 . 32 ARG HG2 H 1.659 0.005 2 340 . 32 ARG HG3 H 1.489 0.005 2 341 . 32 ARG CD C 43.771 0.005 1 342 . 32 ARG HD2 H 3.231 0.005 1 343 . 32 ARG HD3 H 3.074 0.005 1 344 . 32 ARG NE N 84.666 0.005 1 345 . 32 ARG HE H 7.234 0.005 1 346 . 32 ARG CZ C 157.517 0.050 1 347 . 32 ARG C C 174.180 0.050 1 348 . 33 TRP N N 125.098 0.050 1 349 . 33 TRP H H 9.335 0.005 1 350 . 33 TRP CA C 56.542 0.005 1 351 . 33 TRP HA H 5.446 0.005 1 352 . 33 TRP CB C 32.213 0.005 1 353 . 33 TRP HB2 H 3.220 0.005 2 354 . 33 TRP HB3 H 2.996 0.005 2 355 . 33 TRP CD1 C 124.510 0.050 1 356 . 33 TRP CE3 C 119.054 0.050 1 357 . 33 TRP NE1 N 130.304 0.050 1 358 . 33 TRP HD1 H 6.797 0.005 1 359 . 33 TRP HE3 H 7.290 0.005 1 360 . 33 TRP CZ3 C 121.018 0.050 1 361 . 33 TRP CZ2 C 115.747 0.050 1 362 . 33 TRP HE1 H 10.570 0.005 1 363 . 33 TRP HZ3 H 6.683 0.005 1 364 . 33 TRP CH2 C 124.627 0.050 1 365 . 33 TRP HZ2 H 7.312 0.005 1 366 . 33 TRP HH2 H 6.595 0.005 1 367 . 33 TRP C C 175.943 0.050 1 368 . 34 GLU N N 123.812 0.050 1 369 . 34 GLU H H 9.587 0.005 1 370 . 34 GLU CA C 54.398 0.005 1 371 . 34 GLU HA H 5.272 0.005 1 372 . 34 GLU CB C 34.729 0.005 1 373 . 34 GLU HB2 H 1.937 0.005 1 374 . 34 GLU HB3 H 1.937 0.005 1 375 . 34 GLU CG C 36.967 0.005 1 376 . 34 GLU HG2 H 2.132 0.005 2 377 . 34 GLU HG3 H 2.075 0.005 2 378 . 34 GLU CD C 182.670 0.050 1 379 . 34 GLU C C 174.830 0.050 1 380 . 35 ARG N N 124.100 0.050 1 381 . 35 ARG H H 8.753 0.005 1 382 . 35 ARG CA C 54.957 0.005 1 383 . 35 ARG HA H 4.515 0.005 1 384 . 35 ARG CB C 31.280 0.005 1 385 . 35 ARG HB2 H 1.553 0.005 2 386 . 35 ARG HB3 H 1.094 0.005 2 387 . 35 ARG CG C 26.620 0.005 1 388 . 35 ARG HG2 H 1.073 0.005 2 389 . 35 ARG HG3 H 0.977 0.005 2 390 . 35 ARG CD C 43.398 0.005 1 391 . 35 ARG HD2 H 2.865 0.005 1 392 . 35 ARG HD3 H 2.717 0.005 1 393 . 35 ARG NE N 85.474 0.005 1 394 . 35 ARG HE H 6.875 0.005 1 395 . 35 ARG CZ C 157.945 0.050 1 396 . 35 ARG C C 176.865 0.050 1 397 . 36 GLY N N 119.883 0.050 1 398 . 36 GLY H H 8.977 0.005 1 399 . 36 GLY CA C 47.407 0.005 1 400 . 36 GLY HA2 H 4.033 0.005 2 401 . 36 GLY HA3 H 3.649 0.005 2 402 . 36 GLY C C 174.646 0.050 1 403 . 37 SER N N 121.974 0.050 1 404 . 37 SER H H 8.817 0.005 1 405 . 37 SER CA C 58.220 0.005 1 406 . 37 SER HA H 4.533 0.005 1 407 . 37 SER CB C 63.347 0.005 1 408 . 37 SER HB2 H 4.059 0.005 2 409 . 37 SER HB3 H 3.902 0.005 2 410 . 37 SER C C 174.089 0.050 1 411 . 38 THR N N 120.196 0.050 1 412 . 38 THR H H 8.193 0.005 1 413 . 38 THR CA C 62.135 0.005 1 414 . 38 THR HA H 4.418 0.005 1 415 . 38 THR CB C 70.431 0.005 1 416 . 38 THR HB H 4.262 0.005 1 417 . 38 THR HG2 H 1.170 0.005 2 418 . 38 THR CG2 C 21.493 0.005 1 419 . 38 THR C C 173.265 0.050 1 420 . 39 LEU N N 130.918 0.050 1 421 . 39 LEU H H 8.773 0.005 1 422 . 39 LEU CA C 56.187 0.005 1 423 . 39 LEU HA H 4.364 0.005 1 424 . 39 LEU CB C 42.373 0.005 1 425 . 39 LEU HB2 H 1.821 0.005 2 426 . 39 LEU HB3 H 1.444 0.005 2 427 . 39 LEU CG C 26.992 0.005 1 428 . 39 LEU HG H 1.381 0.005 1 429 . 39 LEU HD1 H 0.954 0.005 2 430 . 39 LEU HD2 H 0.461 0.005 2 431 . 39 LEU CD1 C 23.637 0.005 2 432 . 39 LEU CD2 C 26.060 0.005 2 433 . 39 LEU C C 175.753 0.050 1 434 . 40 VAL N N 124.521 0.050 1 435 . 40 VAL H H 8.971 0.005 1 436 . 40 VAL CA C 62.508 0.005 1 437 . 40 VAL HA H 4.287 0.005 1 438 . 40 VAL CB C 32.585 0.005 1 439 . 40 VAL HB H 1.397 0.005 1 440 . 40 VAL HG1 H 0.680 0.005 2 441 . 40 VAL HG2 H 0.435 0.005 2 442 . 40 VAL CG1 C 20.560 0.005 2 443 . 40 VAL CG2 C 21.772 0.005 2 444 . 40 VAL C C 174.926 0.050 1 445 . 41 ALA N N 119.016 0.050 1 446 . 41 ALA H H 7.882 0.005 1 447 . 41 ALA CA C 51.788 0.005 1 448 . 41 ALA HA H 5.430 0.005 1 449 . 41 ALA HB H 1.373 0.005 1 450 . 41 ALA CB C 23.823 0.005 1 451 . 41 ALA C C 175.498 0.050 1 452 . 42 GLU N N 122.285 0.050 1 453 . 42 GLU H H 9.706 0.005 1 454 . 42 GLU CA C 55.423 0.005 1 455 . 42 GLU HA H 5.620 0.005 1 456 . 42 GLU CB C 34.170 0.005 1 457 . 42 GLU HB2 H 2.253 0.005 1 458 . 42 GLU HB3 H 2.253 0.005 1 459 . 42 GLU CG C 34.077 0.005 1 460 . 42 GLU HG2 H 2.443 0.005 2 461 . 42 GLU HG3 H 2.154 0.005 2 462 . 42 GLU CD C 179.065 0.050 1 463 . 42 GLU C C 174.490 0.050 1 464 . 43 PHE N N 129.178 0.050 1 465 . 43 PHE H H 9.359 0.005 1 466 . 43 PHE CA C 56.076 0.005 1 467 . 43 PHE HA H 4.970 0.005 1 468 . 43 PHE CB C 41.814 0.005 1 469 . 43 PHE HB2 H 3.237 0.005 2 470 . 43 PHE HB3 H 3.007 0.005 2 471 . 43 PHE HD1 H 7.086 0.005 1 472 . 43 PHE HE1 H 7.225 0.005 1 473 . 43 PHE C C 173.455 0.050 1 474 . 44 LYS N N 130.940 0.050 1 475 . 44 LYS H H 8.523 0.005 1 476 . 44 LYS CA C 54.025 0.005 1 477 . 44 LYS HA H 4.902 0.005 1 478 . 44 LYS CB C 35.848 0.005 1 479 . 44 LYS HB2 H 1.646 0.005 2 480 . 44 LYS HB3 H 1.487 0.005 2 481 . 44 LYS CG C 25.221 0.005 1 482 . 44 LYS HG2 H 1.301 0.005 1 483 . 44 LYS HG3 H 1.301 0.005 1 484 . 44 LYS CD C 29.043 0.005 1 485 . 44 LYS HD2 H 1.519 0.005 1 486 . 44 LYS CE C 42.280 0.005 1 487 . 44 LYS HE2 H 2.932 0.005 1 488 . 44 LYS HE3 H 2.872 0.005 1 489 . 44 LYS C C 174.742 0.050 1 490 . 45 ARG N N 126.187 0.050 1 491 . 45 ARG H H 8.176 0.005 1 492 . 45 ARG CA C 58.500 0.005 1 493 . 45 ARG HA H 3.741 0.005 1 494 . 45 ARG CB C 29.975 0.005 1 495 . 45 ARG HB2 H 2.101 0.005 2 496 . 45 ARG HB3 H 1.942 0.005 2 497 . 45 ARG CG C 27.738 0.005 1 498 . 45 ARG HG2 H 1.993 0.005 2 499 . 45 ARG HG3 H 1.826 0.005 2 500 . 45 ARG CD C 43.026 0.005 1 501 . 45 ARG HD2 H 3.418 0.005 1 502 . 45 ARG HD3 H 3.380 0.005 1 503 . 45 ARG NE N 84.457 0.005 1 504 . 45 ARG HE H 7.533 0.005 1 505 . 45 ARG CZ C 157.762 0.050 1 506 . 45 ARG C C 176.682 0.050 1 507 . 46 LYS N N 116.648 0.050 1 508 . 46 LYS H H 8.726 0.005 1 509 . 46 LYS CA C 58.406 0.005 1 510 . 46 LYS HA H 3.876 0.005 1 511 . 46 LYS CB C 30.255 0.005 1 512 . 46 LYS HB2 H 2.154 0.005 2 513 . 46 LYS HB3 H 2.073 0.005 2 514 . 46 LYS CG C 25.967 0.005 1 515 . 46 LYS HG2 H 1.437 0.005 1 516 . 46 LYS HG3 H 1.437 0.005 1 517 . 46 LYS CD C 29.136 0.005 1 518 . 46 LYS HD2 H 1.749 0.005 1 519 . 46 LYS HD3 H 1.704 0.005 1 520 . 46 LYS CE C 42.187 0.005 1 521 . 46 LYS HE2 H 3.020 0.005 1 522 . 46 LYS HE3 H 3.020 0.005 1 523 . 46 LYS C C 175.307 0.050 1 524 . 47 MET N N 119.075 0.050 1 525 . 47 MET H H 7.990 0.005 1 526 . 47 MET CA C 53.745 0.005 1 527 . 47 MET HA H 4.825 0.005 1 528 . 47 MET CB C 35.568 0.005 1 529 . 47 MET HB2 H 2.093 0.005 2 530 . 47 MET HB3 H 1.812 0.005 2 531 . 47 MET CG C 32.119 0.005 1 532 . 47 MET HG2 H 2.483 0.005 1 533 . 47 MET HG3 H 2.483 0.005 1 534 . 47 MET C C 176.064 0.050 1 535 . 48 LYS N N 125.197 0.050 1 536 . 48 LYS H H 8.452 0.005 1 537 . 48 LYS CA C 54.957 0.005 1 538 . 48 LYS HA H 4.565 0.005 1 539 . 48 LYS CB C 31.933 0.005 1 540 . 48 LYS HB2 H 1.859 0.005 1 541 . 48 LYS HB3 H 1.859 0.005 1 542 . 48 LYS CG C 24.848 0.005 1 543 . 48 LYS HG2 H 1.615 0.005 1 544 . 48 LYS HG3 H 1.615 0.005 1 545 . 48 LYS CD C 29.416 0.005 1 546 . 48 LYS HD2 H 1.779 0.005 1 547 . 48 LYS HD3 H 1.779 0.005 1 548 . 48 LYS CE C 42.187 0.005 1 549 . 48 LYS HE2 H 3.086 0.005 1 550 . 48 LYS HE3 H 3.086 0.005 1 551 . 48 LYS C C 175.028 0.050 1 552 . 49 PRO CD C 50.576 0.005 1 553 . 49 PRO CA C 63.533 0.005 1 554 . 49 PRO HA H 4.807 0.005 1 555 . 49 PRO CB C 32.772 0.005 1 556 . 49 PRO HB2 H 2.415 0.005 2 557 . 49 PRO HB3 H 1.834 0.005 2 558 . 49 PRO CG C 27.365 0.005 1 559 . 49 PRO HG2 H 2.233 0.005 2 560 . 49 PRO HG3 H 2.123 0.005 2 561 . 49 PRO HD2 H 3.965 0.005 1 562 . 49 PRO HD3 H 3.761 0.005 1 563 . 49 PRO C C 177.078 0.050 1 564 . 50 PHE N N 122.611 0.050 1 565 . 50 PHE H H 8.666 0.005 1 566 . 50 PHE CA C 57.474 0.005 1 567 . 50 PHE HA H 4.758 0.005 1 568 . 50 PHE CB C 40.975 0.005 1 569 . 50 PHE HB2 H 3.253 0.005 2 570 . 50 PHE HB3 H 2.853 0.005 2 571 . 50 PHE CD1 C 131.385 0.050 1 572 . 50 PHE HD1 H 6.958 0.005 1 573 . 50 PHE HD2 H 6.958 0.005 1 574 . 50 PHE HE1 H 7.134 0.005 1 575 . 50 PHE HE2 H 7.134 0.005 1 576 . 50 PHE HZ H 7.079 0.005 1 577 . 50 PHE CD2 C 131.385 0.050 1 578 . 50 PHE C C 174.113 0.050 1 579 . 51 LEU N N 128.311 0.050 1 580 . 51 LEU H H 7.632 0.005 1 581 . 51 LEU CA C 52.813 0.005 1 582 . 51 LEU HA H 4.638 0.005 1 583 . 51 LEU CB C 44.890 0.005 1 584 . 51 LEU HB2 H 1.540 0.005 2 585 . 51 LEU HB3 H 1.499 0.005 2 586 . 51 LEU CG C 27.179 0.005 1 587 . 51 LEU HG H 1.625 0.005 1 588 . 51 LEU HD1 H 1.072 0.005 2 589 . 51 LEU HD2 H 0.968 0.005 2 590 . 51 LEU CD1 C 24.942 0.005 2 591 . 51 LEU CD2 C 23.543 0.005 2 592 . 51 LEU C C 176.985 0.050 1 593 . 52 LYS N N 122.964 0.050 1 594 . 52 LYS H H 8.483 0.005 1 595 . 52 LYS CA C 58.686 0.005 1 596 . 52 LYS HA H 3.763 0.005 1 597 . 52 LYS CB C 33.611 0.005 1 598 . 52 LYS HB2 H 2.309 0.005 2 599 . 52 LYS HB3 H 1.835 0.005 2 600 . 52 LYS CG C 24.942 0.005 1 601 . 52 LYS HG2 H 1.655 0.005 2 602 . 52 LYS HG3 H 1.633 0.005 2 603 . 52 LYS CD C 29.416 0.005 1 604 . 52 LYS HD2 H 1.914 0.005 1 605 . 52 LYS HD3 H 1.835 0.005 1 606 . 52 LYS CE C 42.466 0.005 1 607 . 52 LYS HE2 H 3.119 0.005 1 608 . 52 LYS HE3 H 3.119 0.005 1 609 . 52 LYS C C 175.683 0.050 1 610 . 53 SER N N 108.583 0.050 1 611 . 53 SER H H 7.644 0.005 1 612 . 53 SER CA C 56.449 0.005 1 613 . 53 SER HA H 4.657 0.005 1 614 . 53 SER CB C 65.770 0.005 1 615 . 53 SER HB2 H 4.179 0.005 2 616 . 53 SER HB3 H 4.002 0.005 2 617 . 53 SER C C 173.653 0.050 1 618 . 54 GLY N N 106.374 0.050 1 619 . 54 GLY H H 8.684 0.005 1 620 . 54 GLY CA C 45.822 0.005 1 621 . 54 GLY HA2 H 4.325 0.005 2 622 . 54 GLY HA3 H 3.810 0.005 2 623 . 54 GLY C C 173.813 0.050 1 624 . 55 ALA N N 122.172 0.050 1 625 . 55 ALA H H 7.957 0.005 1 626 . 55 ALA CA C 53.201 0.005 1 627 . 55 ALA HA H 4.055 0.005 1 628 . 55 ALA HB H 0.850 0.005 1 629 . 55 ALA CB C 18.976 0.005 1 630 . 55 ALA C C 176.466 0.050 1 631 . 56 PHE N N 115.265 0.050 1 632 . 56 PHE H H 7.200 0.005 1 633 . 56 PHE CA C 55.703 0.005 1 634 . 56 PHE HA H 5.441 0.005 1 635 . 56 PHE CB C 43.678 0.005 1 636 . 56 PHE HB2 H 2.994 0.005 2 637 . 56 PHE HB3 H 2.773 0.005 2 638 . 56 PHE HD1 H 7.082 0.005 1 639 . 56 PHE HD2 H 7.082 0.005 1 640 . 56 PHE HE1 H 7.215 0.005 1 641 . 56 PHE HE2 H 7.215 0.005 1 642 . 56 PHE C C 174.170 0.050 1 643 . 57 GLU N N 119.127 0.050 1 644 . 57 GLU H H 8.853 0.005 1 645 . 57 GLU CA C 55.610 0.005 1 646 . 57 GLU HA H 4.487 0.005 1 647 . 57 GLU CB C 34.450 0.005 1 648 . 57 GLU HB2 H 1.887 0.005 2 649 . 57 GLU HB3 H 1.789 0.005 2 650 . 57 GLU CG C 36.314 0.005 1 651 . 57 GLU HG2 H 2.152 0.005 2 652 . 57 GLU HG3 H 2.116 0.005 2 653 . 57 GLU CD C 182.577 0.050 1 654 . 57 GLU C C 173.794 0.050 1 655 . 58 ILE N N 123.663 0.050 1 656 . 58 ILE H H 8.569 0.005 1 657 . 58 ILE CA C 58.779 0.005 1 658 . 58 ILE HA H 5.061 0.005 1 659 . 58 ILE CB C 40.695 0.005 1 660 . 58 ILE HB H 1.592 0.005 1 661 . 58 ILE HG2 H 1.111 0.005 1 662 . 58 ILE CG2 C 16.646 0.005 1 663 . 58 ILE CG1 C 28.764 0.005 1 664 . 58 ILE HG12 H 1.676 0.005 1 665 . 58 ILE HG13 H 1.218 0.005 1 666 . 58 ILE HD1 H 1.069 0.005 1 667 . 58 ILE CD1 C 14.967 0.005 1 668 . 58 ILE C C 175.254 0.050 1 669 . 59 LEU N N 129.670 0.050 1 670 . 59 LEU H H 8.911 0.005 1 671 . 59 LEU CA C 54.398 0.005 1 672 . 59 LEU HA H 4.495 0.005 1 673 . 59 LEU CB C 41.907 0.005 1 674 . 59 LEU HB2 H 1.989 0.005 2 675 . 59 LEU HB3 H 1.702 0.005 2 676 . 59 LEU CG C 27.645 0.005 1 677 . 59 LEU HG H 1.567 0.005 1 678 . 59 LEU HD1 H 0.840 0.005 2 679 . 59 LEU HD2 H 0.770 0.005 2 680 . 59 LEU CD1 C 25.221 0.005 2 681 . 59 LEU CD2 C 22.798 0.005 2 682 . 59 LEU C C 178.942 0.050 1 683 . 60 ALA N N 123.163 0.050 1 684 . 60 ALA H H 8.483 0.005 1 685 . 60 ALA CA C 54.771 0.005 1 686 . 60 ALA HA H 4.019 0.005 1 687 . 60 ALA HB H 1.447 0.005 1 688 . 60 ALA CB C 18.137 0.005 1 689 . 60 ALA C C 177.750 0.050 1 690 . 61 ASN N N 112.462 0.050 1 691 . 61 ASN H H 7.545 0.005 1 692 . 61 ASN CA C 52.440 0.005 1 693 . 61 ASN HA H 4.464 0.005 1 694 . 61 ASN CB C 37.712 0.005 1 695 . 61 ASN HB2 H 3.352 0.005 2 696 . 61 ASN HB3 H 2.778 0.005 2 697 . 61 ASN CG C 176.892 0.050 1 698 . 61 ASN ND2 N 108.999 0.050 1 699 . 61 ASN HD21 H 7.260 0.005 1 700 . 61 ASN HD22 H 6.420 0.005 1 701 . 61 ASN C C 175.587 0.050 1 702 . 62 GLY N N 108.221 0.050 1 703 . 62 GLY H H 8.178 0.005 1 704 . 62 GLY CA C 44.797 0.005 1 705 . 62 GLY HA2 H 4.295 0.005 2 706 . 62 GLY HA3 H 3.239 0.005 2 707 . 62 GLY C C 172.018 0.050 1 708 . 63 ASP N N 119.873 0.050 1 709 . 63 ASP H H 7.824 0.005 1 710 . 63 ASP CA C 55.051 0.005 1 711 . 63 ASP HA H 4.736 0.005 1 712 . 63 ASP CB C 40.882 0.005 1 713 . 63 ASP HB2 H 2.771 0.005 2 714 . 63 ASP HB3 H 2.467 0.005 2 715 . 63 ASP CG C 179.781 0.050 1 716 . 63 ASP C C 173.723 0.050 1 717 . 64 LEU N N 121.390 0.050 1 718 . 64 LEU H H 7.245 0.005 1 719 . 64 LEU CA C 53.093 0.005 1 720 . 64 LEU HA H 4.377 0.005 1 721 . 64 LEU CB C 42.466 0.005 1 722 . 64 LEU HB2 H 0.270 0.005 2 723 . 64 LEU HB3 H -1.161 0.005 2 724 . 64 LEU CG C 26.153 0.005 1 725 . 64 LEU HG H 0.902 0.005 1 726 . 64 LEU HD1 H 0.446 0.005 2 727 . 64 LEU HD2 H 0.133 0.005 2 728 . 64 LEU CD1 C 23.264 0.005 2 729 . 64 LEU CD2 C 25.874 0.005 2 730 . 64 LEU C C 174.134 0.050 1 731 . 65 LYS N N 128.238 0.050 1 732 . 65 LYS H H 9.013 0.005 1 733 . 65 LYS CA C 54.491 0.005 1 734 . 65 LYS HA H 5.036 0.005 1 735 . 65 LYS CB C 35.195 0.005 1 736 . 65 LYS HB2 H 1.603 0.005 2 737 . 65 LYS HB3 H 1.445 0.005 2 738 . 65 LYS CG C 24.662 0.005 1 739 . 65 LYS HG2 H 1.266 0.005 2 740 . 65 LYS HG3 H 0.831 0.005 2 741 . 65 LYS CD C 29.509 0.005 1 742 . 65 LYS HD2 H 1.553 0.005 1 743 . 65 LYS HD3 H 1.553 0.005 1 744 . 65 LYS CE C 42.187 0.005 1 745 . 65 LYS HE2 H 2.835 0.005 1 746 . 65 LYS HE3 H 2.785 0.005 1 747 . 65 LYS C C 175.428 0.050 1 748 . 66 ILE N N 127.553 0.050 1 749 . 66 ILE H H 8.612 0.005 1 750 . 66 ILE CA C 60.737 0.005 1 751 . 66 ILE HA H 4.284 0.005 1 752 . 66 ILE CB C 38.551 0.005 1 753 . 66 ILE HB H 1.622 0.005 1 754 . 66 ILE HG2 H 0.560 0.005 1 755 . 66 ILE CG2 C 17.298 0.005 1 756 . 66 ILE CG1 C 27.272 0.005 1 757 . 66 ILE HG12 H 1.297 0.005 1 758 . 66 ILE HG13 H 0.839 0.005 1 759 . 66 ILE HD1 H 0.515 0.005 1 760 . 66 ILE CD1 C 13.756 0.005 1 761 . 66 ILE C C 176.329 0.050 1 762 . 67 LYS N N 125.723 0.050 1 763 . 67 LYS H H 7.933 0.005 1 764 . 67 LYS CA C 59.711 0.005 1 765 . 67 LYS HA H 3.742 0.005 1 766 . 67 LYS CB C 33.145 0.005 1 767 . 67 LYS HB2 H 1.730 0.005 2 768 . 67 LYS HB3 H 1.471 0.005 2 769 . 67 LYS CG C 25.967 0.005 1 770 . 67 LYS HG2 H 1.244 0.005 2 771 . 67 LYS HG3 H 1.134 0.005 2 772 . 67 LYS CD C 29.323 0.005 1 773 . 67 LYS HD2 H 1.617 0.005 1 774 . 67 LYS HD3 H 1.617 0.005 1 775 . 67 LYS CE C 42.280 0.005 1 776 . 67 LYS HE2 H 2.843 0.005 1 777 . 67 LYS HE3 H 2.713 0.005 1 778 . 67 LYS C C 176.391 0.050 1 779 . 68 ASN N N 117.092 0.050 1 780 . 68 ASN H H 8.403 0.005 1 781 . 68 ASN CA C 53.093 0.005 1 782 . 68 ASN HA H 3.974 0.005 1 783 . 68 ASN CB C 39.483 0.005 1 784 . 68 ASN HB2 H 2.565 0.005 2 785 . 68 ASN HB3 H 2.303 0.005 2 786 . 68 ASN CG C 176.673 0.050 1 787 . 68 ASN ND2 N 111.566 0.050 1 788 . 68 ASN HD21 H 7.213 0.005 1 789 . 68 ASN HD22 H 6.554 0.005 1 790 . 68 ASN C C 172.884 0.050 1 791 . 69 LEU N N 124.037 0.050 1 792 . 69 LEU H H 8.068 0.005 1 793 . 69 LEU CA C 56.915 0.005 1 794 . 69 LEU HA H 4.078 0.005 1 795 . 69 LEU CB C 42.839 0.005 1 796 . 69 LEU HB2 H 1.756 0.005 2 797 . 69 LEU HB3 H 1.677 0.005 2 798 . 69 LEU CG C 26.806 0.005 1 799 . 69 LEU HG H 1.597 0.005 1 800 . 69 LEU HD1 H 0.819 0.005 2 801 . 69 LEU HD2 H 0.734 0.005 2 802 . 69 LEU CD1 C 25.874 0.005 2 803 . 69 LEU CD2 C 25.594 0.005 2 804 . 69 LEU C C 177.159 0.050 1 805 . 70 THR N N 117.965 0.050 1 806 . 70 THR H H 8.882 0.005 1 807 . 70 THR CA C 59.898 0.005 1 808 . 70 THR HA H 4.759 0.005 1 809 . 70 THR CB C 72.575 0.005 1 810 . 70 THR HB H 4.483 0.005 1 811 . 70 THR HG2 H 1.252 0.005 2 812 . 70 THR CG2 C 21.586 0.005 1 813 . 70 THR C C 175.700 0.050 1 814 . 71 ARG N N 120.922 0.050 1 815 . 71 ARG H H 9.003 0.005 1 816 . 71 ARG CA C 59.898 0.005 1 817 . 71 ARG HA H 3.872 0.005 1 818 . 71 ARG CB C 29.602 0.005 1 819 . 71 ARG HB2 H 1.880 0.005 2 820 . 71 ARG HB3 H 1.843 0.005 2 821 . 71 ARG CG C 28.764 0.005 1 822 . 71 ARG HG2 H 1.847 0.005 2 823 . 71 ARG HG3 H 1.691 0.005 2 824 . 71 ARG CD C 43.119 0.005 1 825 . 71 ARG HD2 H 3.285 0.005 1 826 . 71 ARG HD3 H 3.226 0.005 1 827 . 71 ARG NE N 85.005 0.005 1 828 . 71 ARG HE H 7.499 0.005 1 829 . 71 ARG CZ C 157.853 0.050 1 830 . 71 ARG C C 178.548 0.050 1 831 . 72 ASP N N 117.035 0.050 1 832 . 72 ASP H H 7.969 0.005 1 833 . 72 ASP CA C 55.610 0.005 1 834 . 72 ASP HA H 4.550 0.005 1 835 . 72 ASP CB C 40.602 0.005 1 836 . 72 ASP HB2 H 2.751 0.005 2 837 . 72 ASP HB3 H 2.495 0.005 2 838 . 72 ASP CG C 180.061 0.050 1 839 . 72 ASP C C 176.156 0.050 1 840 . 73 ASP N N 116.210 0.050 1 841 . 73 ASP H H 7.631 0.005 1 842 . 73 ASP CA C 55.051 0.005 1 843 . 73 ASP HA H 4.806 0.005 1 844 . 73 ASP CB C 42.093 0.005 1 845 . 73 ASP HB2 H 2.924 0.005 2 846 . 73 ASP HB3 H 2.712 0.005 2 847 . 73 ASP CG C 178.383 0.050 1 848 . 73 ASP C C 177.048 0.050 1 849 . 74 SER N N 115.578 0.050 1 850 . 74 SER H H 7.460 0.005 1 851 . 74 SER CA C 59.059 0.005 1 852 . 74 SER HA H 4.218 0.005 1 853 . 74 SER CB C 64.093 0.005 1 854 . 74 SER HB2 H 3.917 0.005 1 855 . 74 SER HB3 H 3.917 0.005 1 856 . 74 SER C C 173.121 0.050 1 857 . 75 GLY N N 111.291 0.050 1 858 . 75 GLY H H 8.783 0.005 1 859 . 75 GLY CA C 44.424 0.005 1 860 . 75 GLY HA2 H 4.500 0.005 2 861 . 75 GLY HA3 H 3.941 0.005 2 862 . 75 GLY C C 172.389 0.050 1 863 . 76 THR N N 117.425 0.050 1 864 . 76 THR H H 8.347 0.005 1 865 . 76 THR CA C 63.160 0.005 1 866 . 76 THR HA H 5.147 0.005 1 867 . 76 THR CB C 69.872 0.005 1 868 . 76 THR HB H 3.893 0.005 1 869 . 76 THR HG2 H 1.169 0.005 2 870 . 76 THR CG2 C 22.425 0.005 1 871 . 76 THR C C 174.791 0.050 1 872 . 77 TYR N N 130.033 0.050 1 873 . 77 TYR H H 9.907 0.005 1 874 . 77 TYR CA C 57.101 0.005 1 875 . 77 TYR HA H 5.177 0.005 1 876 . 77 TYR CB C 40.975 0.005 1 877 . 77 TYR HB2 H 3.163 0.005 2 878 . 77 TYR HB3 H 3.010 0.005 2 879 . 77 TYR CD1 C 132.742 0.050 1 880 . 77 TYR CE1 C 117.170 0.050 1 881 . 77 TYR CE2 C 117.170 0.050 1 882 . 77 TYR CD2 C 132.742 0.050 1 883 . 77 TYR C C 174.359 0.050 1 884 . 77 TYR HD1 H 7.004 0.005 3 885 . 77 TYR HD2 H 7.004 0.005 3 886 . 77 TYR HE1 H 6.623 0.005 3 887 . 77 TYR HE2 H 6.623 0.005 1 888 . 78 ASN N N 121.773 0.050 1 889 . 78 ASN H H 9.596 0.005 1 890 . 78 ASN CA C 52.651 0.005 1 891 . 78 ASN HA H 5.599 0.005 1 892 . 78 ASN CB C 42.746 0.005 1 893 . 78 ASN HB2 H 2.597 0.005 2 894 . 78 ASN HB3 H 2.539 0.005 2 895 . 78 ASN CG C 176.799 0.050 1 896 . 78 ASN ND2 N 113.716 0.050 1 897 . 78 ASN HD21 H 7.233 0.005 1 898 . 78 ASN HD22 H 6.852 0.005 1 899 . 78 ASN C C 173.801 0.050 1 900 . 79 VAL N N 126.460 0.050 1 901 . 79 VAL H H 9.164 0.005 1 902 . 79 VAL CA C 57.381 0.005 1 903 . 79 VAL HA H 5.069 0.005 1 904 . 79 VAL CB C 32.399 0.005 1 905 . 79 VAL HB H -0.321 0.005 1 906 . 79 VAL HG1 H 0.280 0.005 2 907 . 79 VAL HG2 H -0.383 0.005 2 908 . 79 VAL CG1 C 18.603 0.005 2 909 . 79 VAL CG2 C 21.493 0.005 2 910 . 79 VAL C C 173.164 0.050 1 911 . 80 THR N N 121.053 0.050 1 912 . 80 THR H H 8.375 0.005 1 913 . 80 THR CA C 59.898 0.005 1 914 . 80 THR HA H 4.912 0.005 1 915 . 80 THR CB C 71.270 0.005 1 916 . 80 THR HB H 3.652 0.005 1 917 . 80 THR HG2 H 1.011 0.005 2 918 . 80 THR CG2 C 22.704 0.005 1 919 . 80 THR C C 172.769 0.050 1 920 . 81 VAL N N 123.773 0.050 1 921 . 81 VAL H H 7.741 0.005 1 922 . 81 VAL CA C 60.271 0.005 1 923 . 81 VAL HA H 5.011 0.005 1 924 . 81 VAL CB C 35.382 0.005 1 925 . 81 VAL HB H 1.604 0.005 1 926 . 81 VAL HG1 H 1.114 0.005 2 927 . 81 VAL HG2 H 0.400 0.005 2 928 . 81 VAL CG1 C 23.357 0.005 2 929 . 81 VAL CG2 C 21.213 0.005 2 930 . 81 VAL C C 174.702 0.050 1 931 . 82 TYR N N 125.323 0.050 1 932 . 82 TYR H H 9.173 0.005 1 933 . 82 TYR CA C 56.262 0.005 1 934 . 82 TYR HA H 5.633 0.005 1 935 . 82 TYR CB C 42.466 0.005 1 936 . 82 TYR HB2 H 2.992 0.005 2 937 . 82 TYR HB3 H 2.863 0.005 2 938 . 82 TYR CD1 C 133.091 0.050 1 939 . 82 TYR HD1 H 6.790 0.005 3 940 . 82 TYR HD2 H 6.790 0.005 3 941 . 82 TYR CE1 C 117.744 0.050 1 942 . 82 TYR HE1 H 6.596 0.005 1 943 . 82 TYR HE2 H 6.596 0.005 1 944 . 82 TYR CE2 C 117.744 0.050 1 945 . 82 TYR CD2 C 133.091 0.050 1 946 . 82 TYR C C 177.030 0.050 1 947 . 83 SER N N 119.321 0.050 1 948 . 83 SER H H 9.299 0.005 1 949 . 83 SER CA C 57.101 0.005 1 950 . 83 SER HA H 5.373 0.005 1 951 . 83 SER CB C 65.491 0.005 1 952 . 83 SER HB2 H 4.504 0.005 2 953 . 83 SER HB3 H 3.947 0.005 2 954 . 83 SER C C 176.818 0.050 1 955 . 84 THR N N 116.235 0.050 1 956 . 84 THR H H 8.698 0.005 1 957 . 84 THR CA C 65.398 0.005 1 958 . 84 THR HA H 3.964 0.005 1 959 . 84 THR CB C 69.126 0.005 1 960 . 84 THR HB H 4.359 0.005 1 961 . 84 THR HG2 H 1.309 0.005 2 962 . 84 THR CG2 C 22.145 0.005 1 963 . 84 THR C C 175.153 0.050 1 964 . 85 ASN N N 118.614 0.050 1 965 . 85 ASN H H 8.210 0.005 1 966 . 85 ASN CA C 52.627 0.005 1 967 . 85 ASN HA H 4.850 0.005 1 968 . 85 ASN CB C 37.712 0.005 1 969 . 85 ASN HB2 H 3.230 0.005 2 970 . 85 ASN HB3 H 2.894 0.005 2 971 . 85 ASN CG C 177.637 0.050 1 972 . 85 ASN ND2 N 112.594 0.050 1 973 . 85 ASN HD21 H 7.650 0.005 1 974 . 85 ASN HD22 H 6.928 0.005 1 975 . 85 ASN C C 176.273 0.050 1 976 . 86 GLY N N 108.575 0.050 1 977 . 86 GLY H H 8.229 0.005 1 978 . 86 GLY CA C 45.263 0.005 1 979 . 86 GLY HA2 H 4.356 0.005 2 980 . 86 GLY HA3 H 3.752 0.005 2 981 . 86 GLY C C 174.497 0.050 1 982 . 87 THR N N 117.688 0.050 1 983 . 87 THR H H 7.724 0.005 1 984 . 87 THR CA C 63.533 0.005 1 985 . 87 THR HA H 4.190 0.005 1 986 . 87 THR CB C 69.406 0.005 1 987 . 87 THR HB H 4.185 0.005 1 988 . 87 THR HG2 H 1.153 0.005 2 989 . 87 THR CG2 C 21.493 0.005 1 990 . 87 THR C C 173.717 0.050 1 991 . 88 ARG N N 128.693 0.050 1 992 . 88 ARG H H 8.977 0.005 1 993 . 88 ARG CA C 56.076 0.005 1 994 . 88 ARG HA H 4.128 0.005 1 995 . 88 ARG CB C 29.975 0.005 1 996 . 88 ARG HB2 H 1.886 0.005 2 997 . 88 ARG HB3 H 1.570 0.005 2 998 . 88 ARG CG C 26.992 0.005 1 999 . 88 ARG HG2 H 1.028 0.005 2 1000 . 88 ARG HG3 H 0.923 0.005 2 1001 . 88 ARG CD C 43.958 0.005 1 1002 . 88 ARG HD2 H 3.058 0.005 1 1003 . 88 ARG HD3 H 3.058 0.005 1 1004 . 88 ARG NE N 84.300 0.005 1 1005 . 88 ARG HE H 7.064 0.005 1 1006 . 88 ARG CZ C 158.037 0.050 1 1007 . 88 ARG C C 175.790 0.050 1 1008 . 89 ILE N N 127.107 0.050 1 1009 . 89 ILE H H 8.616 0.005 1 1010 . 89 ILE CA C 61.709 0.005 1 1011 . 89 ILE HA H 4.190 0.005 1 1012 . 89 ILE CB C 39.017 0.005 1 1013 . 89 ILE HB H 1.820 0.005 1 1014 . 89 ILE HG2 H 0.968 0.005 1 1015 . 89 ILE CG2 C 17.950 0.005 1 1016 . 89 ILE CG1 C 26.806 0.005 1 1017 . 89 ILE HG12 H 1.269 0.005 1 1018 . 89 ILE HG13 H 1.149 0.005 1 1019 . 89 ILE HD1 H 0.882 0.005 1 1020 . 89 ILE CD1 C 12.823 0.005 1 1021 . 89 ILE C C 175.762 0.050 1 1022 . 90 LEU N N 119.016 0.050 1 1023 . 90 LEU H H 7.179 0.005 1 1024 . 90 LEU CA C 55.423 0.005 1 1025 . 90 LEU HA H 4.472 0.005 1 1026 . 90 LEU CB C 45.449 0.005 1 1027 . 90 LEU HB2 H 1.496 0.005 2 1028 . 90 LEU HB3 H 1.405 0.005 2 1029 . 90 LEU CG C 26.713 0.005 1 1030 . 90 LEU HG H 1.381 0.005 1 1031 . 90 LEU HD1 H 0.718 0.005 2 1032 . 90 LEU HD2 H 0.572 0.005 2 1033 . 90 LEU CD1 C 26.153 0.005 2 1034 . 90 LEU CD2 C 26.806 0.005 2 1035 . 90 LEU C C 174.380 0.050 1 1036 . 91 ASN N N 122.614 0.050 1 1037 . 91 ASN H H 8.421 0.005 1 1038 . 91 ASN CA C 53.000 0.005 1 1039 . 91 ASN HA H 5.379 0.005 1 1040 . 91 ASN CB C 40.695 0.005 1 1041 . 91 ASN HB2 H 2.599 0.005 2 1042 . 91 ASN HB3 H 2.418 0.005 2 1043 . 91 ASN CG C 176.333 0.050 1 1044 . 91 ASN ND2 N 112.640 0.050 1 1045 . 91 ASN HD21 H 7.195 0.005 1 1046 . 91 ASN HD22 H 6.783 0.005 1 1047 . 91 ASN C C 173.451 0.050 1 1048 . 92 LYS N N 124.707 0.050 1 1049 . 92 LYS H H 8.672 0.005 1 1050 . 92 LYS CA C 54.118 0.005 1 1051 . 92 LYS HA H 4.751 0.005 1 1052 . 92 LYS CB C 36.967 0.005 1 1053 . 92 LYS HB2 H 1.694 0.005 2 1054 . 92 LYS HB3 H 1.393 0.005 2 1055 . 92 LYS CG C 25.221 0.005 1 1056 . 92 LYS HG2 H 1.301 0.005 1 1057 . 92 LYS HG3 H 1.301 0.005 1 1058 . 92 LYS CD C 28.950 0.005 1 1059 . 92 LYS HD2 H 1.842 0.005 1 1060 . 92 LYS HD3 H 1.674 0.005 1 1061 . 92 LYS CE C 42.280 0.005 1 1062 . 92 LYS HE2 H 3.076 0.005 1 1063 . 92 LYS HE3 H 2.966 0.005 1 1064 . 92 LYS C C 173.258 0.050 1 1065 . 93 ALA N N 125.302 0.050 1 1066 . 93 ALA H H 8.288 0.005 1 1067 . 93 ALA CA C 50.669 0.005 1 1068 . 93 ALA HA H 5.469 0.005 1 1069 . 93 ALA HB H 1.295 0.005 1 1070 . 93 ALA CB C 21.586 0.005 1 1071 . 93 ALA C C 176.944 0.050 1 1072 . 94 LEU N N 124.393 0.050 1 1073 . 94 LEU H H 9.434 0.005 1 1074 . 94 LEU CA C 53.932 0.005 1 1075 . 94 LEU HA H 4.928 0.005 1 1076 . 94 LEU CB C 45.822 0.005 1 1077 . 94 LEU HB2 H 1.794 0.005 2 1078 . 94 LEU HB3 H 1.503 0.005 2 1079 . 94 LEU CG C 27.925 0.005 1 1080 . 94 LEU HG H 1.724 0.005 1 1081 . 94 LEU HD1 H 1.049 0.005 2 1082 . 94 LEU HD2 H 0.995 0.005 2 1083 . 94 LEU CD1 C 25.874 0.005 2 1084 . 94 LEU CD2 C 25.128 0.005 2 1085 . 94 LEU C C 174.671 0.050 1 1086 . 95 ASP N N 123.808 0.050 1 1087 . 95 ASP H H 8.729 0.005 1 1088 . 95 ASP CA C 53.279 0.005 1 1089 . 95 ASP HA H 5.091 0.005 1 1090 . 95 ASP CB C 41.814 0.005 1 1091 . 95 ASP HB2 H 2.569 0.005 1 1092 . 95 ASP HB3 H 2.569 0.005 1 1093 . 95 ASP CG C 179.408 0.050 1 1094 . 95 ASP C C 173.537 0.050 1 1095 . 96 LEU N N 128.342 0.050 1 1096 . 96 LEU H H 8.991 0.005 1 1097 . 96 LEU CA C 54.408 0.005 1 1098 . 96 LEU HA H 4.989 0.005 1 1099 . 96 LEU CB C 43.398 0.005 1 1100 . 96 LEU HB2 H 2.369 0.005 2 1101 . 96 LEU HB3 H 1.155 0.005 2 1102 . 96 LEU CG C 28.484 0.005 1 1103 . 96 LEU HG H 1.268 0.005 1 1104 . 96 LEU CD1 C 26.060 0.005 2 1105 . 96 LEU CD2 C 24.569 0.005 2 1106 . 96 LEU HD1 H 0.707 0.005 1 1107 . 96 LEU HD2 H 0.707 0.005 1 1108 . 96 LEU C C 175.790 0.050 1 1109 . 97 ARG N N 129.308 0.050 1 1110 . 97 ARG H H 8.890 0.005 1 1111 . 97 ARG CA C 53.652 0.005 1 1112 . 97 ARG HA H 4.503 0.005 1 1113 . 97 ARG CB C 32.399 0.005 1 1114 . 97 ARG HB2 H 1.146 0.005 2 1115 . 97 ARG HB3 H 0.161 0.005 2 1116 . 97 ARG CG C 26.806 0.005 1 1117 . 97 ARG HG2 H 1.120 0.005 2 1118 . 97 ARG HG3 H 0.950 0.005 2 1119 . 97 ARG CD C 42.932 0.005 1 1120 . 97 ARG HD2 H 2.723 0.005 1 1121 . 97 ARG HD3 H 2.668 0.005 1 1122 . 97 ARG NE N 86.341 0.005 1 1123 . 97 ARG HE H 7.145 0.005 1 1124 . 97 ARG CZ C 157.655 0.050 1 1125 . 97 ARG C C 174.096 0.050 1 1126 . 98 ILE N N 120.755 0.050 1 1127 . 98 ILE H H 8.387 0.005 1 1128 . 98 ILE CA C 58.779 0.005 1 1129 . 98 ILE HA H 4.702 0.005 1 1130 . 98 ILE CB C 38.085 0.005 1 1131 . 98 ILE HB H 1.952 0.005 1 1132 . 98 ILE HG2 H 0.882 0.005 1 1133 . 98 ILE CG2 C 18.137 0.005 1 1134 . 98 ILE CG1 C 27.925 0.005 1 1135 . 98 ILE HG12 H 1.403 0.005 1 1136 . 98 ILE HG13 H 1.293 0.005 1 1137 . 98 ILE HD1 H 0.701 0.005 1 1138 . 98 ILE CD1 C 12.264 0.005 1 1139 . 98 ILE C C 176.762 0.050 1 1140 . 99 LEU N N 130.468 0.050 1 1141 . 99 LEU H H 8.848 0.005 1 1142 . 99 LEU CA C 55.237 0.005 1 1143 . 99 LEU HA H 4.507 0.005 1 1144 . 99 LEU CB C 43.119 0.005 1 1145 . 99 LEU HB2 H 1.674 0.005 2 1146 . 99 LEU HB3 H 1.599 0.005 2 1147 . 99 LEU CG C 27.194 0.005 1 1148 . 99 LEU HG H 1.687 0.005 1 1149 . 99 LEU HD1 H 0.764 0.005 2 1150 . 99 LEU HD2 H 0.766 0.005 2 1151 . 99 LEU CD1 C 24.755 0.005 2 1152 . 99 LEU CD2 C 24.196 0.005 2 1153 . 99 LEU C C 175.704 0.050 1 1154 . 100 GLU N N 129.032 0.050 1 1155 . 100 GLU H H 8.116 0.005 1 1156 . 100 GLU CA C 57.661 0.005 1 1157 . 100 GLU HA H 4.247 0.005 1 1158 . 100 GLU CB C 31.001 0.005 1 1159 . 100 GLU HB2 H 2.119 0.005 2 1160 . 100 GLU HB3 H 1.952 0.005 2 1161 . 100 GLU CG C 35.848 0.005 1 1162 . 100 GLU HG2 H 2.308 0.005 1 1163 . 100 GLU HG3 H 2.308 0.005 1 1164 . 100 GLU CD C 184.068 0.050 1 1165 . 100 GLU C C 180.713 0.050 1 stop_ save_ save_chemical_shift_assignment_three _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions_three _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name CD2d1 _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 . 2 ARG CA C 56.372 0.050 1 2 . 2 ARG HA H 4.380 0.005 1 3 . 2 ARG CB C 35.156 0.050 1 4 . 2 ARG HB2 H 2.046 0.005 2 5 . 2 ARG HB3 H 1.980 0.005 2 6 . 2 ARG CD C 43.388 0.050 1 7 . 2 ARG HD2 H 3.172 0.005 1 8 . 2 ARG HD3 H 3.172 0.005 1 9 . 3 ASP CA C 54.845 0.050 1 10 . 3 ASP HA H 4.678 0.005 1 11 . 3 ASP CB C 41.406 0.050 1 12 . 3 ASP HB2 H 2.803 0.005 2 13 . 3 ASP HB3 H 2.697 0.005 2 14 . 4 SER CA C 58.686 0.050 1 15 . 4 SER HA H 4.618 0.005 1 16 . 4 SER CB C 64.241 0.050 1 17 . 4 SER HB2 H 3.913 0.005 1 18 . 4 SER HB3 H 3.913 0.005 1 19 . 5 GLY N N 111.686 0.050 1 20 . 5 GLY H H 8.590 0.005 1 21 . 5 GLY CA C 45.594 0.050 1 22 . 5 GLY HA2 H 4.228 0.005 1 23 . 5 GLY HA3 H 4.009 0.005 1 24 . 6 THR N N 118.900 0.050 1 25 . 6 THR H H 7.995 0.005 1 26 . 6 THR CA C 62.628 0.050 1 27 . 6 THR HA H 4.854 0.005 1 28 . 6 THR CB C 70.711 0.050 1 29 . 6 THR HB H 3.756 0.005 1 30 . 6 THR CG2 C 21.313 0.050 1 31 . 6 THR HG2 H 0.428 0.005 1 32 . 7 VAL N N 128.862 0.050 1 33 . 7 VAL H H 9.008 0.005 1 34 . 7 VAL CA C 61.119 0.050 1 35 . 7 VAL HA H 4.278 0.005 1 36 . 7 VAL CB C 34.543 0.050 1 37 . 7 VAL HB H 1.787 0.005 1 38 . 7 VAL CG1 C 21.099 0.050 2 39 . 7 VAL HG1 H 0.894 0.005 2 40 . 7 VAL CG2 C 21.649 0.050 2 41 . 7 VAL HG2 H 0.868 0.005 2 42 . 8 TRP N N 126.590 0.050 1 43 . 8 TRP H H 8.501 0.005 1 44 . 8 TRP CA C 55.858 0.050 1 45 . 8 TRP HA H 5.259 0.005 1 46 . 8 TRP CB C 30.990 0.050 1 47 . 8 TRP HB2 H 2.951 0.005 1 48 . 8 TRP HB3 H 2.951 0.005 1 49 . 9 GLY N N 109.487 0.050 1 50 . 9 GLY H H 8.821 0.005 1 51 . 9 GLY CA C 44.040 0.050 1 52 . 9 GLY HA2 H 4.603 0.005 1 53 . 9 GLY HA3 H 3.235 0.005 1 54 . 10 ALA N N 125.226 0.050 1 55 . 10 ALA H H 8.255 0.005 1 56 . 10 ALA CA C 50.355 0.050 1 57 . 10 ALA HA H 4.816 0.005 1 58 . 10 ALA CB C 20.342 0.050 1 59 . 10 ALA HB H 1.106 0.005 1 60 . 11 LEU N N 122.897 0.050 1 61 . 11 LEU H H 8.645 0.005 1 62 . 11 LEU CA C 56.002 0.050 1 63 . 11 LEU HA H 3.759 0.005 1 64 . 11 LEU CB C 41.917 0.050 1 65 . 11 LEU CG C 26.603 0.050 1 66 . 11 LEU HG H 1.700 0.005 1 67 . 11 LEU CD1 C 25.287 0.050 2 68 . 11 LEU HD1 H 0.940 0.005 2 69 . 11 LEU CD2 C 24.471 0.050 2 70 . 11 LEU HD2 H 0.764 0.005 2 71 . 11 LEU HB2 H 1.608 0.005 1 72 . 11 LEU HB3 H 1.608 0.005 1 73 . 12 GLY N N 112.315 0.050 1 74 . 12 GLY H H 9.290 0.005 1 75 . 12 GLY CA C 45.490 0.050 1 76 . 12 GLY HA2 H 4.066 0.005 1 77 . 12 GLY HA3 H 4.066 0.005 1 78 . 13 HIS N N 119.814 0.050 1 79 . 13 HIS H H 7.813 0.005 1 80 . 14 GLY N N 109.903 0.050 1 81 . 14 GLY H H 8.593 0.005 1 82 . 14 GLY CA C 45.024 0.050 1 83 . 14 GLY HA2 H 4.652 0.005 1 84 . 14 GLY HA3 H 3.496 0.005 1 85 . 15 ILE N N 121.113 0.050 1 86 . 15 ILE H H 8.631 0.005 1 87 . 15 ILE CA C 59.224 0.050 1 88 . 15 ILE HA H 4.486 0.005 1 89 . 15 ILE CB C 41.755 0.050 1 90 . 15 ILE HB H 1.804 0.005 1 91 . 15 ILE CG1 C 29.074 0.050 1 92 . 15 ILE HG12 H 1.372 0.005 2 93 . 15 ILE HG13 H 1.005 0.005 2 94 . 15 ILE CG2 C 18.037 0.050 1 95 . 15 ILE HG2 H 0.694 0.005 1 96 . 15 ILE CD1 C 14.685 0.050 1 97 . 15 ILE HD1 H 0.832 0.005 1 98 . 16 ASN N N 124.035 0.050 1 99 . 16 ASN H H 7.854 0.005 1 100 . 16 ASN CA C 51.147 0.050 1 101 . 16 ASN HA H 5.283 0.005 1 102 . 16 ASN CB C 39.062 0.050 1 103 . 16 ASN HB2 H 2.548 0.005 2 104 . 16 ASN HB3 H 2.166 0.005 2 105 . 17 LEU N N 125.977 0.050 1 106 . 17 LEU H H 9.378 0.005 1 107 . 17 LEU CA C 53.886 0.050 1 108 . 17 LEU HA H 4.261 0.005 1 109 . 17 LEU CB C 41.244 0.050 1 110 . 17 LEU CD1 C 24.153 0.050 2 111 . 17 LEU HD1 H 0.422 0.005 2 112 . 17 LEU CD2 C 25.482 0.050 2 113 . 17 LEU HD2 H 0.052 0.005 2 114 . 17 LEU HB2 H 1.201 0.005 1 115 . 17 LEU HB3 H 1.201 0.005 1 116 . 18 ASN N N 120.314 0.050 1 117 . 18 ASN H H 7.996 0.005 1 118 . 18 ASN CA C 51.829 0.050 1 119 . 18 ASN HA H 4.823 0.005 1 120 . 18 ASN CB C 40.923 0.050 1 121 . 18 ASN HB2 H 2.741 0.005 2 122 . 18 ASN HB3 H 2.493 0.005 2 123 . 19 ILE N N 125.303 0.050 1 124 . 19 ILE H H 8.481 0.005 1 125 . 19 ILE CA C 60.722 0.050 1 126 . 19 ILE HA H 3.880 0.005 1 127 . 19 ILE CB C 37.287 0.050 1 128 . 19 ILE HB H 1.947 0.005 1 129 . 19 ILE CG1 C 28.866 0.050 1 130 . 19 ILE HG12 H 2.120 0.005 2 131 . 19 ILE HG13 H 0.639 0.005 2 132 . 19 ILE CG2 C 18.189 0.050 1 133 . 19 ILE HG2 H 0.336 0.005 1 134 . 19 ILE CD1 C 12.849 0.050 1 135 . 19 ILE HD1 H 0.441 0.005 1 136 . 20 PRO CA C 63.289 0.050 1 137 . 20 PRO HA H 4.308 0.005 1 138 . 20 PRO CB C 32.305 0.050 1 139 . 20 PRO HB2 H 2.251 0.005 2 140 . 20 PRO HB3 H 1.811 0.005 2 141 . 20 PRO CG C 27.313 0.050 1 142 . 20 PRO HG2 H 2.145 0.005 2 143 . 20 PRO HG3 H 2.063 0.005 2 144 . 20 PRO CD C 50.409 0.050 1 145 . 20 PRO HD2 H 4.199 0.005 2 146 . 20 PRO HD3 H 3.197 0.005 2 147 . 21 ASN N N 117.703 0.050 1 148 . 21 ASN H H 8.847 0.005 1 149 . 21 ASN CA C 54.230 0.050 1 150 . 21 ASN HA H 4.251 0.005 1 151 . 21 ASN CB C 37.951 0.050 1 152 . 21 ASN HB2 H 2.953 0.005 2 153 . 21 ASN HB3 H 2.675 0.005 2 154 . 22 PHE N N 118.871 0.050 1 155 . 22 PHE H H 7.558 0.005 1 156 . 22 PHE CA C 57.567 0.050 1 157 . 22 PHE HA H 4.733 0.005 1 158 . 23 GLN N N 127.157 0.050 1 159 . 23 GLN H H 7.010 0.005 1 160 . 23 GLN CA C 53.633 0.050 1 161 . 23 GLN HA H 4.189 0.005 1 162 . 23 GLN CB C 31.197 0.050 1 163 . 23 GLN HB2 H 1.681 0.005 2 164 . 23 GLN HB3 H 1.600 0.005 2 165 . 23 GLN CG C 33.379 0.050 1 166 . 23 GLN CD C 180.645 0.050 1 167 . 23 GLN HG2 H 2.081 0.005 1 168 . 24 MET N N 124.495 0.050 1 169 . 24 MET H H 8.414 0.005 1 170 . 24 MET CA C 55.576 0.050 1 171 . 24 MET HA H 4.054 0.005 1 172 . 24 MET CG C 31.805 0.050 1 173 . 24 MET HG2 H 2.734 0.005 2 174 . 24 MET HG3 H 2.338 0.005 2 175 . 25 THR N N 117.506 0.050 1 176 . 25 THR H H 6.819 0.005 1 177 . 25 THR CA C 60.035 0.050 1 178 . 25 THR HA H 4.654 0.005 1 179 . 25 THR CB C 72.316 0.050 1 180 . 25 THR HB H 4.473 0.005 1 181 . 25 THR CG2 C 21.668 0.050 1 182 . 25 THR HG2 H 1.097 0.005 1 183 . 26 ASP N N 119.569 0.050 1 184 . 26 ASP H H 8.684 0.005 1 185 . 26 ASP CA C 56.420 0.050 1 186 . 26 ASP HA H 4.476 0.005 1 187 . 26 ASP CB C 40.633 0.050 1 188 . 26 ASP HB2 H 2.741 0.005 2 189 . 26 ASP HB3 H 2.624 0.005 2 190 . 27 ASP N N 116.577 0.050 1 191 . 27 ASP H H 8.144 0.005 1 192 . 27 ASP CA C 54.470 0.050 1 193 . 27 ASP HA H 4.682 0.005 1 194 . 27 ASP CB C 40.989 0.050 1 195 . 27 ASP HB2 H 2.675 0.005 2 196 . 27 ASP HB3 H 2.549 0.005 2 197 . 28 ILE N N 120.454 0.050 1 198 . 28 ILE H H 7.474 0.005 1 199 . 28 ILE CA C 59.408 0.050 1 200 . 28 ILE HA H 4.109 0.005 1 201 . 28 ILE CB C 35.640 0.050 1 202 . 28 ILE HB H 2.618 0.005 1 203 . 28 ILE CG1 C 27.171 0.050 1 204 . 28 ILE HG12 H 2.007 0.005 2 205 . 28 ILE HG13 H 1.632 0.005 2 206 . 28 ILE CG2 C 18.666 0.050 1 207 . 28 ILE HG2 H 0.954 0.005 1 208 . 28 ILE CD1 C 9.760 0.050 1 209 . 28 ILE HD1 H 0.813 0.005 1 210 . 29 ASP N N 128.700 0.050 1 211 . 29 ASP H H 8.874 0.005 1 212 . 29 ASP CA C 55.080 0.050 1 213 . 29 ASP HA H 4.984 0.005 1 214 . 29 ASP CB C 45.899 0.050 1 215 . 29 ASP HB2 H 2.358 0.005 2 216 . 29 ASP HB3 H 2.237 0.005 2 217 . 30 GLU N N 116.641 0.050 1 218 . 30 GLU H H 7.700 0.005 1 219 . 30 GLU CA C 54.698 0.050 1 220 . 30 GLU HA H 5.622 0.005 1 221 . 30 GLU CB C 35.135 0.050 1 222 . 30 GLU HB2 H 2.006 0.005 2 223 . 30 GLU HB3 H 1.933 0.005 2 224 . 30 GLU CG C 36.156 0.050 1 225 . 30 GLU HG2 H 2.342 0.005 2 226 . 30 GLU HG3 H 2.038 0.005 2 227 . 30 GLU CD C 181.613 0.050 1 228 . 31 VAL N N 125.181 0.050 1 229 . 31 VAL H H 9.011 0.005 1 230 . 31 VAL CA C 62.097 0.050 1 231 . 31 VAL HA H 4.687 0.005 1 232 . 31 VAL CB C 35.540 0.050 1 233 . 31 VAL HB H 2.109 0.005 1 234 . 31 VAL CG1 C 21.114 0.050 2 235 . 31 VAL HG1 H 0.925 0.005 2 236 . 31 VAL CG2 C 21.768 0.050 2 237 . 31 VAL HG2 H 0.797 0.005 2 238 . 32 ARG N N 127.606 0.050 1 239 . 32 ARG H H 9.206 0.005 1 240 . 32 ARG CA C 55.240 0.050 1 241 . 32 ARG HA H 5.156 0.005 1 242 . 32 ARG CB C 33.942 0.050 1 243 . 32 ARG HB2 H 1.901 0.005 2 244 . 32 ARG HB3 H 1.827 0.005 2 245 . 32 ARG CG C 28.297 0.050 1 246 . 32 ARG HG2 H 1.697 0.005 2 247 . 32 ARG HG3 H 1.502 0.005 2 248 . 32 ARG CD C 43.856 0.050 1 249 . 32 ARG HD2 H 3.214 0.005 2 250 . 32 ARG HD3 H 3.070 0.005 2 251 . 33 TRP N N 125.302 0.050 1 252 . 33 TRP H H 9.303 0.005 1 253 . 33 TRP CA C 56.461 0.050 1 254 . 33 TRP HA H 5.440 0.005 1 255 . 33 TRP CB C 32.323 0.050 1 256 . 33 TRP HB2 H 3.177 0.005 2 257 . 33 TRP HB3 H 2.952 0.005 2 258 . 34 GLU N N 123.846 0.050 1 259 . 34 GLU H H 9.555 0.005 1 260 . 34 GLU CA C 54.470 0.050 1 261 . 34 GLU HA H 5.182 0.005 1 262 . 34 GLU CB C 35.495 0.050 1 263 . 34 GLU CG C 36.836 0.050 1 264 . 34 GLU CD C 183.270 0.050 1 265 . 34 GLU HB2 H 1.884 0.005 1 266 . 34 GLU HB3 H 1.884 0.005 1 267 . 34 GLU HG2 H 2.052 0.005 1 268 . 34 GLU HG3 H 2.052 0.005 1 269 . 35 ARG N N 123.812 0.050 1 270 . 35 ARG H H 8.757 0.005 1 271 . 35 ARG CA C 54.999 0.050 1 272 . 35 ARG HA H 4.453 0.005 1 273 . 35 ARG CB C 31.249 0.050 1 274 . 35 ARG HB2 H 1.486 0.005 2 275 . 35 ARG HB3 H 1.005 0.005 2 276 . 35 ARG CG C 26.596 0.050 1 277 . 35 ARG HG2 H 0.997 0.005 2 278 . 35 ARG HG3 H 0.892 0.005 2 279 . 35 ARG CD C 43.363 0.050 1 280 . 35 ARG HD2 H 2.830 0.005 2 281 . 35 ARG HD3 H 2.691 0.005 2 282 . 36 GLY N N 119.992 0.050 1 283 . 36 GLY H H 8.937 0.005 1 284 . 36 GLY CA C 47.404 0.050 1 285 . 36 GLY HA2 H 3.976 0.005 1 286 . 36 GLY HA3 H 3.594 0.005 1 287 . 37 SER CA C 58.249 0.050 1 288 . 37 SER HA H 4.469 0.005 1 289 . 37 SER CB C 63.458 0.050 1 290 . 37 SER HB2 H 4.001 0.005 2 291 . 37 SER HB3 H 3.839 0.005 2 292 . 38 THR N N 120.642 0.050 1 293 . 38 THR H H 8.174 0.005 1 294 . 38 THR CB C 70.244 0.050 1 295 . 38 THR HB H 4.228 0.005 1 296 . 38 THR CG2 C 21.449 0.050 1 297 . 38 THR HG2 H 1.127 0.005 1 298 . 39 LEU N N 131.023 0.050 1 299 . 39 LEU H H 8.706 0.005 1 300 . 39 LEU CA C 56.210 0.050 1 301 . 39 LEU HA H 4.290 0.005 1 302 . 39 LEU CB C 42.255 0.050 1 303 . 39 LEU HB2 H 1.762 0.005 2 304 . 39 LEU HB3 H 1.624 0.005 2 305 . 39 LEU CG C 27.038 0.050 1 306 . 39 LEU HG H 1.337 0.005 1 307 . 39 LEU CD1 C 23.701 0.050 2 308 . 39 LEU HD1 H 0.919 0.005 2 309 . 39 LEU CD2 C 26.245 0.050 2 310 . 39 LEU HD2 H 0.507 0.005 2 311 . 40 VAL N N 125.287 0.050 1 312 . 40 VAL H H 8.945 0.005 1 313 . 40 VAL CA C 62.647 0.050 1 314 . 40 VAL HA H 4.199 0.005 1 315 . 40 VAL CB C 32.616 0.050 1 316 . 40 VAL HB H 1.359 0.005 1 317 . 40 VAL CG1 C 20.684 0.050 2 318 . 40 VAL HG1 H 0.638 0.005 2 319 . 40 VAL CG2 C 21.689 0.050 2 320 . 40 VAL HG2 H 0.353 0.005 2 321 . 41 ALA N N 119.576 0.050 1 322 . 41 ALA H H 7.892 0.005 1 323 . 41 ALA CA C 51.891 0.050 1 324 . 41 ALA HA H 5.280 0.005 1 325 . 41 ALA CB C 23.719 0.050 1 326 . 41 ALA HB H 1.328 0.005 1 327 . 42 GLU N N 122.030 0.050 1 328 . 42 GLU H H 9.434 0.005 1 329 . 42 GLU CA C 55.672 0.050 1 330 . 42 GLU HA H 5.512 0.005 1 331 . 42 GLU CB C 35.338 0.050 1 332 . 42 GLU HB2 H 2.283 0.005 2 333 . 42 GLU HB3 H 2.157 0.005 2 334 . 42 GLU CG C 36.152 0.050 1 335 . 42 GLU HG2 H 2.305 0.005 2 336 . 42 GLU HG3 H 2.077 0.005 2 337 . 42 GLU CD C 181.712 0.050 1 338 . 43 PHE N N 128.350 0.050 1 339 . 43 PHE H H 9.469 0.005 1 340 . 44 LYS N N 129.396 0.050 1 341 . 44 LYS H H 8.297 0.005 1 342 . 44 LYS CB C 35.547 0.050 1 343 . 44 LYS HB2 H 1.632 0.005 2 344 . 44 LYS HB3 H 1.420 0.005 2 345 . 44 LYS CG C 25.241 0.050 1 346 . 44 LYS HG2 H 1.258 0.005 1 347 . 44 LYS HG3 H 1.258 0.005 1 348 . 45 ARG N N 125.463 0.050 1 349 . 45 ARG H H 8.197 0.005 1 350 . 45 ARG CA C 58.654 0.050 1 351 . 45 ARG HA H 3.677 0.005 1 352 . 45 ARG CG C 27.624 0.050 1 353 . 45 ARG HG2 H 1.884 0.005 2 354 . 45 ARG HG3 H 1.730 0.005 2 355 . 45 ARG CD C 43.058 0.050 1 356 . 45 ARG HD2 H 3.365 0.005 2 357 . 45 ARG HD3 H 3.328 0.005 2 358 . 46 LYS N N 116.506 0.050 1 359 . 46 LYS H H 8.664 0.005 1 360 . 46 LYS CA C 58.112 0.050 1 361 . 46 LYS HA H 3.928 0.005 1 362 . 46 LYS CB C 30.058 0.050 1 363 . 46 LYS HB2 H 2.047 0.005 2 364 . 46 LYS HB3 H 1.871 0.005 2 365 . 46 LYS CG C 25.811 0.050 1 366 . 46 LYS CD C 29.129 0.050 1 367 . 46 LYS CE C 42.180 0.050 1 368 . 46 LYS HG2 H 1.396 0.005 1 369 . 46 LYS HG3 H 1.396 0.005 1 370 . 46 LYS HD2 H 1.673 0.005 1 371 . 46 LYS HD3 H 1.673 0.005 1 372 . 46 LYS HE2 H 2.966 0.005 1 373 . 46 LYS HE3 H 2.966 0.005 1 374 . 47 MET N N 118.977 0.050 1 375 . 47 MET H H 7.863 0.005 1 376 . 47 MET CA C 53.775 0.050 1 377 . 47 MET HA H 4.782 0.005 1 378 . 47 MET CB C 35.133 0.050 1 379 . 47 MET HB2 H 1.958 0.005 2 380 . 47 MET HB3 H 1.836 0.005 2 381 . 47 MET CG C 32.240 0.050 1 382 . 47 MET HG2 H 2.449 0.005 2 383 . 47 MET HG3 H 2.405 0.005 2 384 . 48 LYS N N 124.476 0.050 1 385 . 48 LYS H H 8.378 0.005 1 386 . 48 LYS CB C 32.026 0.050 1 387 . 48 LYS CG C 27.724 0.050 1 388 . 48 LYS CD C 29.384 0.050 1 389 . 48 LYS CE C 42.243 0.050 1 390 . 48 LYS HB2 H 1.811 0.005 1 391 . 48 LYS HB3 H 1.811 0.005 1 392 . 48 LYS HG2 H 1.551 0.005 1 393 . 48 LYS HG3 H 1.551 0.005 1 394 . 48 LYS HD2 H 1.730 0.005 1 395 . 48 LYS HD3 H 1.730 0.005 1 396 . 48 LYS HE2 H 3.030 0.005 1 397 . 48 LYS HE3 H 3.030 0.005 1 398 . 49 PRO CA C 63.462 0.050 1 399 . 49 PRO HA H 4.784 0.005 1 400 . 49 PRO CB C 32.751 0.050 1 401 . 49 PRO HB2 H 2.348 0.005 2 402 . 49 PRO HB3 H 1.827 0.005 2 403 . 49 PRO CG C 27.361 0.050 1 404 . 49 PRO HG2 H 2.145 0.005 2 405 . 49 PRO HG3 H 2.062 0.005 2 406 . 49 PRO CD C 50.772 0.050 1 407 . 49 PRO HD2 H 3.927 0.005 2 408 . 49 PRO HD3 H 3.704 0.005 2 409 . 50 PHE N N 123.071 0.050 1 410 . 50 PHE H H 8.713 0.005 1 411 . 50 PHE CA C 57.546 0.050 1 412 . 50 PHE HA H 4.719 0.005 1 413 . 51 LEU N N 127.890 0.050 1 414 . 51 LEU H H 7.632 0.005 1 415 . 51 LEU CA C 52.992 0.050 1 416 . 51 LEU HA H 4.572 0.005 1 417 . 51 LEU CB C 44.713 0.050 1 418 . 51 LEU CG C 27.163 0.050 1 419 . 51 LEU HG H 1.550 0.005 1 420 . 51 LEU CD1 C 24.965 0.050 2 421 . 51 LEU HD1 H 1.012 0.005 2 422 . 51 LEU CD2 C 23.518 0.050 2 423 . 51 LEU HD2 H 0.992 0.005 2 424 . 51 LEU HB2 H 1.486 0.005 1 425 . 51 LEU HB3 H 1.486 0.005 1 426 . 52 LYS CA C 58.637 0.050 1 427 . 52 LYS HA H 3.786 0.005 1 428 . 52 LYS CB C 33.476 0.050 1 429 . 52 LYS HB2 H 2.202 0.005 2 430 . 52 LYS HB3 H 1.795 0.005 2 431 . 52 LYS CG C 24.843 0.050 1 432 . 52 LYS CD C 29.436 0.050 1 433 . 52 LYS CE C 42.357 0.050 1 434 . 52 LYS HG2 H 1.615 0.005 1 435 . 52 LYS HG3 H 1.615 0.005 1 436 . 52 LYS HD2 H 1.827 0.005 1 437 . 52 LYS HD3 H 1.827 0.005 1 438 . 52 LYS HE2 H 3.083 0.005 1 439 . 52 LYS HE3 H 3.083 0.005 1 440 . 53 SER N N 109.983 0.050 1 441 . 53 SER H H 7.685 0.005 1 442 . 53 SER CA C 56.660 0.050 1 443 . 53 SER HA H 4.596 0.005 1 444 . 53 SER CB C 65.523 0.050 1 445 . 53 SER HB2 H 4.105 0.005 2 446 . 53 SER HB3 H 3.952 0.005 2 447 . 54 GLY CA C 45.760 0.050 1 448 . 54 GLY HA2 H 4.269 0.005 1 449 . 54 GLY HA3 H 3.781 0.005 1 450 . 55 ALA N N 122.575 0.050 1 451 . 55 ALA H H 8.004 0.005 1 452 . 55 ALA CA C 53.087 0.050 1 453 . 55 ALA HA H 4.000 0.005 1 454 . 55 ALA CB C 19.014 0.050 1 455 . 55 ALA HB H 0.843 0.005 1 456 . 56 PHE N N 119.776 0.050 1 457 . 56 PHE H H 8.209 0.005 1 458 . 56 PHE CA C 55.689 0.050 1 459 . 56 PHE HA H 5.404 0.005 1 460 . 57 GLU N N 119.665 0.050 1 461 . 57 GLU H H 8.826 0.005 1 462 . 57 GLU CA C 55.758 0.050 1 463 . 57 GLU HA H 4.488 0.005 1 464 . 57 GLU CB C 34.578 0.050 1 465 . 57 GLU HB2 H 1.844 0.005 2 466 . 57 GLU HB3 H 1.730 0.005 2 467 . 57 GLU CG C 36.524 0.050 1 468 . 57 GLU HG2 H 2.073 0.005 2 469 . 57 GLU HG3 H 2.033 0.005 2 470 . 57 GLU CD C 182.825 0.050 1 471 . 58 ILE N N 123.955 0.050 1 472 . 58 ILE H H 8.522 0.005 1 473 . 58 ILE CA C 58.968 0.050 1 474 . 58 ILE HA H 4.976 0.005 1 475 . 58 ILE CB C 40.324 0.050 1 476 . 58 ILE HB H 1.553 0.005 1 477 . 58 ILE CG1 C 28.784 0.050 1 478 . 58 ILE HG12 H 1.624 0.005 2 479 . 58 ILE HG13 H 1.119 0.005 2 480 . 58 ILE CG2 C 16.759 0.050 1 481 . 58 ILE HG2 H 1.041 0.005 1 482 . 58 ILE CD1 C 14.945 0.050 1 483 . 58 ILE HD1 H 1.006 0.005 1 484 . 59 LEU N N 130.105 0.050 1 485 . 59 LEU H H 8.954 0.005 1 486 . 59 LEU CA C 54.411 0.050 1 487 . 59 LEU HA H 4.435 0.005 1 488 . 59 LEU CB C 41.840 0.050 1 489 . 59 LEU HB2 H 1.950 0.005 2 490 . 59 LEU HB3 H 1.681 0.005 2 491 . 59 LEU CG C 27.539 0.050 1 492 . 59 LEU HG H 1.512 0.005 1 493 . 59 LEU CD1 C 25.277 0.050 2 494 . 59 LEU HD1 H 0.787 0.005 2 495 . 59 LEU CD2 C 22.752 0.050 2 496 . 59 LEU HD2 H 0.719 0.005 2 497 . 60 ALA N N 123.084 0.050 1 498 . 60 ALA H H 8.432 0.005 1 499 . 60 ALA CA C 54.819 0.050 1 500 . 60 ALA HA H 3.966 0.005 1 501 . 60 ALA CB C 18.282 0.050 1 502 . 60 ALA HB H 1.397 0.005 1 503 . 61 ASN N N 112.858 0.050 1 504 . 61 ASN H H 7.581 0.005 1 505 . 61 ASN CA C 52.364 0.050 1 506 . 61 ASN HA H 4.445 0.005 1 507 . 61 ASN CB C 37.768 0.050 1 508 . 61 ASN HB2 H 3.144 0.005 2 509 . 61 ASN HB3 H 2.850 0.005 2 510 . 62 GLY N N 108.971 0.050 1 511 . 62 GLY H H 8.175 0.005 1 512 . 62 GLY CA C 44.797 0.050 1 513 . 62 GLY HA2 H 4.261 0.005 1 514 . 62 GLY HA3 H 3.181 0.005 1 515 . 63 ASP N N 120.481 0.050 1 516 . 63 ASP H H 7.737 0.005 1 517 . 63 ASP CA C 55.435 0.050 1 518 . 63 ASP HA H 4.679 0.005 1 519 . 63 ASP CB C 40.934 0.050 1 520 . 63 ASP HB2 H 2.702 0.005 2 521 . 63 ASP HB3 H 2.410 0.005 2 522 . 64 LEU N N 121.251 0.050 1 523 . 64 LEU H H 7.254 0.005 1 524 . 64 LEU CA C 53.149 0.050 1 525 . 64 LEU HA H 4.313 0.005 1 526 . 64 LEU CB C 42.383 0.050 1 527 . 64 LEU CG C 26.415 0.050 1 528 . 64 LEU HG H 0.848 0.005 1 529 . 64 LEU CD1 C 23.274 0.050 2 530 . 64 LEU HD1 H 0.377 0.005 2 531 . 64 LEU CD2 C 25.823 0.050 2 532 . 64 LEU HD2 H 0.086 0.005 2 533 . 64 LEU HB2 H 0.224 0.005 1 534 . 64 LEU HB3 H 0.224 0.005 1 535 . 65 LYS N N 128.494 0.050 1 536 . 65 LYS H H 9.014 0.005 1 537 . 65 LYS CA C 54.442 0.050 1 538 . 65 LYS HA H 4.975 0.005 1 539 . 65 LYS CB C 35.192 0.050 1 540 . 65 LYS HB2 H 1.586 0.005 2 541 . 65 LYS HB3 H 1.372 0.005 2 542 . 65 LYS CG C 24.620 0.050 1 543 . 65 LYS HG2 H 1.193 0.005 2 544 . 65 LYS HG3 H 0.791 0.005 2 545 . 65 LYS CD C 29.540 0.050 1 546 . 65 LYS CE C 42.322 0.050 1 547 . 65 LYS HD2 H 1.502 0.005 1 548 . 65 LYS HD3 H 1.502 0.005 1 549 . 65 LYS HE2 H 2.772 0.005 1 550 . 65 LYS HE3 H 2.772 0.005 1 551 . 66 ILE N N 127.763 0.050 1 552 . 66 ILE H H 8.592 0.005 1 553 . 66 ILE CB C 38.512 0.050 1 554 . 66 ILE HB H 1.578 0.005 1 555 . 66 ILE CG1 C 27.209 0.050 1 556 . 66 ILE HG12 H 1.258 0.005 2 557 . 66 ILE HG13 H 0.802 0.005 2 558 . 66 ILE CG2 C 17.311 0.050 1 559 . 66 ILE HG2 H 0.512 0.005 1 560 . 66 ILE CD1 C 13.811 0.050 1 561 . 66 ILE HD1 H 0.465 0.005 1 562 . 67 LYS N N 125.852 0.050 1 563 . 67 LYS H H 7.843 0.005 1 564 . 67 LYS CA C 59.699 0.050 1 565 . 67 LYS HA H 3.696 0.005 1 566 . 67 LYS CB C 33.085 0.050 1 567 . 67 LYS HB2 H 1.681 0.005 2 568 . 67 LYS HB3 H 1.437 0.005 2 569 . 67 LYS CG C 25.966 0.050 1 570 . 67 LYS HG2 H 1.184 0.005 2 571 . 67 LYS HG3 H 1.087 0.005 2 572 . 67 LYS CD C 29.281 0.050 1 573 . 67 LYS CE C 42.277 0.050 1 574 . 67 LYS HE2 H 2.787 0.005 1 575 . 67 LYS HE3 H 2.663 0.005 1 576 . 67 LYS HD2 H 1.559 0.005 1 577 . 67 LYS HD3 H 1.559 0.005 1 578 . 68 ASN N N 117.178 0.050 1 579 . 68 ASN H H 8.426 0.005 1 580 . 68 ASN CA C 53.085 0.050 1 581 . 68 ASN HA H 3.941 0.005 1 582 . 68 ASN CB C 39.591 0.050 1 583 . 68 ASN HB2 H 2.496 0.005 2 584 . 68 ASN HB3 H 2.269 0.005 2 585 . 69 LEU N N 124.213 0.050 1 586 . 69 LEU H H 8.090 0.005 1 587 . 69 LEU CA C 56.993 0.050 1 588 . 69 LEU HA H 4.014 0.005 1 589 . 69 LEU CB C 42.746 0.050 1 590 . 69 LEU CG C 26.826 0.050 1 591 . 69 LEU HG H 1.536 0.005 1 592 . 69 LEU CD1 C 25.973 0.050 2 593 . 69 LEU HD1 H 0.783 0.005 2 594 . 69 LEU CD2 C 25.761 0.050 2 595 . 69 LEU HD2 H 0.665 0.005 2 596 . 69 LEU HB2 H 1.689 0.005 1 597 . 69 LEU HB3 H 1.689 0.005 1 598 . 70 THR N N 118.870 0.050 1 599 . 70 THR H H 9.229 0.005 1 600 . 70 THR CA C 60.001 0.050 1 601 . 70 THR HA H 4.735 0.005 1 602 . 70 THR CB C 73.041 0.050 1 603 . 70 THR HB H 4.424 0.005 1 604 . 70 THR CG2 C 21.503 0.050 1 605 . 70 THR HG2 H 1.224 0.005 1 606 . 71 ARG N N 120.973 0.050 1 607 . 71 ARG H H 8.966 0.005 1 608 . 71 ARG CA C 59.987 0.050 1 609 . 71 ARG HA H 3.835 0.005 1 610 . 71 ARG CD C 43.009 0.050 1 611 . 71 ARG HD2 H 3.177 0.005 1 612 . 71 ARG HD3 H 3.177 0.005 1 613 . 72 ASP N N 117.379 0.050 1 614 . 72 ASP H H 7.802 0.005 1 615 . 72 ASP CA C 55.656 0.050 1 616 . 72 ASP HA H 4.453 0.005 1 617 . 72 ASP CB C 40.691 0.050 1 618 . 72 ASP HB2 H 2.666 0.005 1 619 . 72 ASP HB3 H 2.666 0.005 1 620 . 73 ASP N N 116.492 0.050 1 621 . 73 ASP H H 7.574 0.005 1 622 . 73 ASP CA C 55.340 0.050 1 623 . 73 ASP HA H 4.767 0.005 1 624 . 73 ASP CB C 42.180 0.050 1 625 . 73 ASP HB2 H 2.837 0.005 2 626 . 73 ASP HB3 H 2.699 0.005 2 627 . 74 SER N N 115.373 0.050 1 628 . 74 SER H H 7.399 0.005 1 629 . 74 SER CA C 59.023 0.050 1 630 . 74 SER HA H 4.165 0.005 1 631 . 74 SER CB C 64.087 0.050 1 632 . 74 SER HB2 H 4.114 0.005 2 633 . 74 SER HB3 H 3.857 0.005 2 634 . 75 GLY N N 111.378 0.050 1 635 . 75 GLY H H 8.731 0.005 1 636 . 75 GLY CA C 44.403 0.050 1 637 . 75 GLY HA2 H 4.416 0.005 1 638 . 75 GLY HA3 H 3.911 0.005 1 639 . 76 THR N N 117.787 0.050 1 640 . 76 THR H H 8.325 0.005 1 641 . 76 THR CA C 63.156 0.050 1 642 . 76 THR HA H 5.119 0.005 1 643 . 76 THR CB C 69.882 0.050 1 644 . 76 THR HB H 3.838 0.005 1 645 . 76 THR CG2 C 22.441 0.050 1 646 . 76 THR HG2 H 1.131 0.005 1 647 . 77 TYR N N 130.443 0.050 1 648 . 77 TYR H H 9.913 0.005 1 649 . 77 TYR CA C 57.106 0.050 1 650 . 77 TYR HA H 5.179 0.005 1 651 . 78 ASN N N 121.814 0.050 1 652 . 78 ASN H H 9.594 0.005 1 653 . 78 ASN CA C 52.545 0.050 1 654 . 78 ASN HA H 5.571 0.005 1 655 . 78 ASN CB C 42.914 0.050 1 656 . 78 ASN HB2 H 2.592 0.005 1 657 . 78 ASN HB3 H 2.592 0.005 1 658 . 79 VAL N N 126.317 0.050 1 659 . 79 VAL H H 9.107 0.005 1 660 . 79 VAL CA C 57.433 0.050 1 661 . 79 VAL HA H 5.020 0.005 1 662 . 79 VAL CB C 32.396 0.050 1 663 . 79 VAL HB H -0.429 0.005 1 664 . 79 VAL CG1 C 18.518 0.050 2 665 . 79 VAL HG1 H 0.221 0.005 2 666 . 79 VAL CG2 C 21.411 0.050 2 667 . 79 VAL HG2 H -0.420 0.005 2 668 . 80 THR N N 120.809 0.050 1 669 . 80 THR H H 8.358 0.005 1 670 . 80 THR CA C 60.354 0.050 1 671 . 80 THR HA H 4.846 0.005 1 672 . 80 THR CB C 71.177 0.050 1 673 . 80 THR HB H 3.626 0.005 1 674 . 80 THR CG2 C 22.547 0.050 1 675 . 80 THR HG2 H 0.959 0.005 1 676 . 81 VAL N N 124.033 0.050 1 677 . 81 VAL H H 7.741 0.005 1 678 . 81 VAL CA C 60.388 0.050 1 679 . 81 VAL HA H 4.963 0.005 1 680 . 81 VAL CB C 35.347 0.050 1 681 . 81 VAL HB H 1.553 0.005 1 682 . 81 VAL CG1 C 23.290 0.050 2 683 . 81 VAL HG1 H 1.056 0.005 2 684 . 81 VAL CG2 C 21.205 0.050 2 685 . 81 VAL HG2 H 0.356 0.005 2 686 . 82 TYR N N 125.619 0.050 1 687 . 82 TYR H H 9.227 0.005 1 688 . 82 TYR CA C 56.425 0.050 1 689 . 82 TYR HA H 5.554 0.005 1 690 . 83 SER N N 119.106 0.050 1 691 . 83 SER H H 9.226 0.005 1 692 . 83 SER CA C 57.091 0.050 1 693 . 83 SER HA H 5.330 0.005 1 694 . 83 SER CB C 65.484 0.050 1 695 . 83 SER HB2 H 4.433 0.005 2 696 . 83 SER HB3 H 3.889 0.005 2 697 . 84 THR N N 116.537 0.050 1 698 . 84 THR H H 8.722 0.005 1 699 . 84 THR CA C 65.233 0.050 1 700 . 84 THR HA H 3.952 0.005 1 701 . 84 THR CB C 69.002 0.050 1 702 . 84 THR HB H 4.294 0.005 1 703 . 84 THR CG2 C 21.504 0.050 1 704 . 84 THR HG2 H 1.255 0.005 1 705 . 85 ASN CA C 52.688 0.050 1 706 . 85 ASN HA H 4.782 0.005 1 707 . 85 ASN CB C 37.824 0.050 1 708 . 85 ASN HB2 H 3.308 0.005 2 709 . 85 ASN HB3 H 2.739 0.005 2 710 . 85 ASN CG C 177.476 0.050 1 711 . 86 GLY N N 108.697 0.050 1 712 . 86 GLY H H 8.228 0.005 1 713 . 86 GLY CA C 45.412 0.050 1 714 . 86 GLY HA2 H 4.270 0.005 1 715 . 86 GLY HA3 H 3.773 0.005 1 716 . 87 THR N N 117.633 0.050 1 717 . 87 THR H H 7.699 0.005 1 718 . 87 THR CA C 63.429 0.050 1 719 . 87 THR HA H 4.146 0.005 1 720 . 87 THR CB C 69.519 0.050 1 721 . 87 THR HB H 4.139 0.005 1 722 . 87 THR CG2 C 21.504 0.050 1 723 . 87 THR HG2 H 1.021 0.005 1 724 . 88 ARG N N 128.784 0.050 1 725 . 88 ARG H H 8.951 0.005 1 726 . 88 ARG CA C 56.166 0.050 1 727 . 88 ARG HA H 4.071 0.005 1 728 . 88 ARG CB C 30.043 0.050 1 729 . 88 ARG HB2 H 1.901 0.005 2 730 . 88 ARG HB3 H 1.534 0.005 2 731 . 88 ARG CG C 27.002 0.050 1 732 . 88 ARG CD C 43.988 0.050 1 733 . 88 ARG HG2 H 0.997 0.005 1 734 . 88 ARG HG3 H 0.997 0.005 1 735 . 88 ARG HD2 H 3.015 0.005 1 736 . 88 ARG HD3 H 3.015 0.005 1 737 . 89 ILE N N 128.069 0.050 1 738 . 89 ILE H H 8.646 0.005 1 739 . 89 ILE CA C 61.352 0.050 1 740 . 89 ILE HA H 4.144 0.005 1 741 . 89 ILE CB C 38.946 0.050 1 742 . 89 ILE HB H 1.760 0.005 1 743 . 89 ILE CG1 C 26.899 0.050 1 744 . 89 ILE HG12 H 1.233 0.005 2 745 . 89 ILE HG13 H 1.152 0.005 2 746 . 89 ILE CD1 C 12.514 0.050 1 747 . 89 ILE HD1 H 0.829 0.005 1 748 . 90 LEU N N 118.980 0.050 1 749 . 90 LEU H H 7.169 0.005 1 750 . 90 LEU CA C 55.361 0.050 1 751 . 90 LEU HA H 4.445 0.005 1 752 . 90 LEU CB C 45.283 0.050 1 753 . 90 LEU HB2 H 1.437 0.005 2 754 . 90 LEU HB3 H 1.412 0.005 2 755 . 90 LEU CG C 26.598 0.050 1 756 . 90 LEU HG H 1.320 0.005 1 757 . 90 LEU CD1 C 26.085 0.050 2 758 . 90 LEU HD1 H 0.667 0.005 2 759 . 90 LEU CD2 C 26.897 0.050 2 760 . 90 LEU HD2 H 0.524 0.005 2 761 . 91 ASN N N 122.581 0.050 1 762 . 91 ASN H H 8.376 0.005 1 763 . 91 ASN CA C 53.117 0.050 1 764 . 91 ASN HA H 5.377 0.005 1 765 . 91 ASN CB C 40.938 0.050 1 766 . 91 ASN HB2 H 2.513 0.005 2 767 . 91 ASN HB3 H 2.444 0.005 2 768 . 92 LYS N N 124.922 0.050 1 769 . 92 LYS H H 8.632 0.005 1 770 . 92 LYS CA C 54.171 0.050 1 771 . 92 LYS HA H 4.679 0.005 1 772 . 92 LYS CB C 36.969 0.050 1 773 . 92 LYS HB2 H 1.657 0.005 2 774 . 92 LYS HB3 H 1.347 0.005 2 775 . 92 LYS CD C 25.961 0.050 1 776 . 92 LYS HD2 H 1.795 0.005 2 777 . 92 LYS HD3 H 1.616 0.005 2 778 . 93 ALA N N 125.304 0.050 1 779 . 93 ALA H H 8.222 0.005 1 780 . 93 ALA CA C 50.571 0.050 1 781 . 93 ALA HA H 5.452 0.005 1 782 . 93 ALA CB C 21.568 0.050 1 783 . 93 ALA HB H 1.234 0.005 1 784 . 94 LEU N N 124.585 0.050 1 785 . 94 LEU H H 9.427 0.005 1 786 . 94 LEU CA C 54.015 0.050 1 787 . 94 LEU HA H 4.865 0.005 1 788 . 94 LEU CB C 45.820 0.050 1 789 . 94 LEU HB2 H 1.722 0.005 2 790 . 94 LEU HB3 H 1.469 0.005 2 791 . 94 LEU CG C 27.944 0.050 1 792 . 94 LEU HG H 1.673 0.005 1 793 . 94 LEU CD1 C 25.949 0.050 2 794 . 94 LEU HD1 H 0.988 0.005 2 795 . 94 LEU CD2 C 25.332 0.050 2 796 . 94 LEU HD2 H 0.897 0.005 2 797 . 95 ASP N N 124.358 0.050 1 798 . 95 ASP H H 8.687 0.005 1 799 . 95 ASP CA C 53.425 0.050 1 800 . 95 ASP HA H 5.048 0.005 1 801 . 95 ASP CB C 41.923 0.050 1 802 . 95 ASP HB2 H 2.687 0.005 2 803 . 95 ASP HB3 H 2.480 0.005 2 804 . 96 LEU N N 128.281 0.050 1 805 . 96 LEU H H 8.942 0.005 1 806 . 96 LEU CA C 54.107 0.050 1 807 . 96 LEU HA H 4.966 0.005 1 808 . 96 LEU CB C 43.345 0.050 1 809 . 96 LEU HB2 H 2.316 0.005 2 810 . 96 LEU HB3 H 1.557 0.005 2 811 . 96 LEU CG C 28.549 0.050 1 812 . 96 LEU HG H 1.223 0.005 1 813 . 96 LEU CD1 C 26.269 0.050 2 814 . 96 LEU HD1 H 0.654 0.005 2 815 . 96 LEU CD2 C 24.516 0.050 2 816 . 96 LEU HD2 H 0.652 0.005 2 817 . 97 ARG N N 129.546 0.050 1 818 . 97 ARG H H 8.890 0.005 1 819 . 97 ARG CA C 53.630 0.050 1 820 . 97 ARG HA H 4.451 0.005 1 821 . 97 ARG CB C 32.440 0.050 1 822 . 97 ARG HB2 H 1.111 0.005 2 823 . 97 ARG HB3 H 0.118 0.005 2 824 . 97 ARG CD C 42.940 0.050 1 825 . 97 ARG HD2 H 2.693 0.005 2 826 . 97 ARG HD3 H 2.609 0.005 2 827 . 98 ILE N N 122.005 0.050 1 828 . 98 ILE H H 8.361 0.005 1 829 . 98 ILE CA C 59.085 0.050 1 830 . 98 ILE HA H 4.638 0.005 1 831 . 98 ILE CB C 37.969 0.050 1 832 . 98 ILE HB H 1.903 0.005 1 833 . 98 ILE CG1 C 27.911 0.050 1 834 . 98 ILE HG12 H 1.355 0.005 2 835 . 98 ILE HG13 H 1.282 0.005 2 836 . 98 ILE CG2 C 18.154 0.050 1 837 . 98 ILE HG2 H 0.837 0.005 1 838 . 98 ILE CD1 C 12.074 0.050 1 839 . 98 ILE HD1 H 0.655 0.005 1 840 . 99 LEU N N 130.698 0.050 1 841 . 99 LEU H H 8.794 0.005 1 842 . 99 LEU CA C 55.222 0.050 1 843 . 99 LEU HA H 4.533 0.005 1 844 . 99 LEU CB C 42.953 0.050 1 845 . 99 LEU HB2 H 1.616 0.005 2 846 . 99 LEU HB3 H 1.534 0.005 2 847 . 99 LEU CG C 27.189 0.050 1 848 . 99 LEU HG H 1.524 0.005 1 849 . 99 LEU CD1 C 24.833 0.050 2 850 . 99 LEU HD1 H 0.717 0.005 2 851 . 99 LEU CD2 C 24.253 0.050 2 852 . 99 LEU HD2 H 0.717 0.005 2 853 . 100 GLU N N 130.086 0.050 1 854 . 100 GLU H H 8.069 0.005 1 855 . 100 GLU CA C 57.847 0.050 1 856 . 100 GLU HA H 4.194 0.005 1 857 . 100 GLU CB C 31.249 0.050 1 858 . 100 GLU HB2 H 2.063 0.005 2 859 . 100 GLU HB3 H 1.901 0.005 2 860 . 100 GLU CG C 36.380 0.050 1 861 . 100 GLU CD C 184.737 0.050 1 862 . 100 GLU HG2 H 2.224 0.005 1 863 . 100 GLU HG3 H 2.224 0.005 1 stop_ save_